A0A5K4EUH9_SCHMA Loading...

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

AlphaFold DB , UniProt , Accession A0A5K4EUH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,486 aa.

>A0A5K4EUH9_SCHMA|A0A5K4EUH9
MKPISFTILMELPLSSQLPAIHKILHPPHRLEDSTLQLYKFGQAQSEFGSYLDLDSTLQEQWEDLEISADQENSVVLRTKLVVRVKAIIEKLLDANGRELKRSLFSLKQIFQDDKDLVHEFVTHSGLDCLVNVGSRSDQNIQNYILRALGQIMLYVDGMAGVIEHPNILRWLYSLLTSKFRLVVKTALKLQLLFVDYAEMNAMIFVKSVEAYHANTPTSGRPWSYLINILNNEASDLELLIYAMTLLNKTLNSIPDQDTFYDVTDCLEEMGMQKIVQCHLTKKNCDPELAEQLNLYEASLRYEDGEDFDELPLPASGRESLRQGRRMSRVQFMKTPEGEALLSSMHALPTSQSMASDMDRMLSRKSKRFQSVENLQNSGLSKSVTNTNFHPHTKQTEHKLVNAFLAKEGKHNENLSRDDKRKPEMNGYIDNLTKIQFNRLASNENGEATHKLPHFDEPLTNGQVDSPYYNNSVDVDSNGAIKTYRITRSKGISLVYDEELRTRETGACDTSISSTIPYENDNTCEDPKKEVDLTHLDVTDTNSTNLFTLEYMHSTFDIIEQDENLTPTELNSCSDHQYSLKDVVHFTFNEEITLESDRKSTLDTENGMNQSVGNEILQNSQDVSVNGHVEEVNNKEFISEKTESMDDVKGKSIVVPDSPVAGSLKNKIEALSRASQKQSENSTPISPPSVTLSNTTGTVHLLKEKHSSFENAEEPVKPQLPRERTGKILSVKDRFESGISTKPPSSPGSLVSPKKVNTEQTNTPASSILSEAETNVETFWQRCLDKVKRRPLRLKDLDFTDLEAEEQEDGKESPRSLGPGLPPPPPPPFGGGLPPPPPPPGGGGGLPPPPPPPPTALGAPPPPPPAPGASESSAIPSNLPPAPGTELPKSKKTIRLHWTEWKPTAKDLKMIASTKSSSSVDKPDKATGIGSRFTSALSNNKTKEVKRDVKTIANATVWSEIVPVKLDPDFLEETFENRSSDLKIKKQEVAVKKIEVLDMKRSNAINIGLKVLPPPRTISSAILKMDHSIINREGIEKLLTTMLPTDEECEAIMKAKAEQDGLPLGQAEQFLVTLSAISHLKPRLELWLFKLDYEQNEKEIAEPLNDLKQAVIELINCKTLRYILSVLLSIGNFLNGSTARGFTLDYLGRLPEVKDTKYKNSLLHHVCSIVLDQFPDSTDLHSELGALCRCHRVDWDELPKRLEKLETDSKRAWEHYRLIFSSEKESNKNIKLSEFLTDAMERVICLQMVYRRMSARFRHTLEYLGYSPARASSTSVGYFCRILAEFALEYRTTREKIIEGREKKALARERKRTRGKLIVDLNTIMELQSEVVQAKTVTGLRNAPNDLVQSKDDAELRDLLLRPSNETDSDASSFTATIRRRLHTPGPAPRRLAPPNRGRSPGLLCETSDASMEALDQEQDILLDACLRASTPSINSHGAPGRRVPPKDRRRPTDRSRFSVRRTLNKKLAEDDIKAIEHVIQASAKT
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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
1M31Very low60.1Low197 Ų19791.6 Ų91.697%0.9748%0.477SS*.  0-179.20-72.1-175.2170.500109.8
2K39.3Very low61.3Low188 Ų18890.8 Ų90.882%0.81747%0.472SS*.PPolyproline II helixtrans-65.6134.6161.4-139.4178.7-168.1178.20107.4I4K2-I4 PolarHBondContact O-N 3.32Å
3P47.7Very low62.9Low58 Ų5887.4 Ų87.438%0.37746%0.459SS..PPolyproline II helixtrans-61.9127.6179.9-22.534000110.3V583 H585P3-V583 WeakPolarHBondContact CA-O 3.43Å; P3-H585 HydrophobicContact CB-CB 3.72Å; P3-H585 VanDerWaalsContact CB-N 3.25Å; P3-H585 HydrophobicContact CG-CB 4.43Å
4I54.6Low64.2Low70 Ų7081.1 Ų81.136%0.35943%0.427SS..PPolyproline II helixtrans-59160.3169.3-76.9166.9000108.9K2 I24 V584 H585K2-I4 PolarHBondContact O-N 3.32Å; I4-I24 HydrophobicContact CD1-CG2 4.39Å; I4-I24 HydrophobicContact CG2-CG2 3.5Å; I4-V584 HydrophobicContact CB-CB 4.31Å; I4-V584 HydrophobicContact CB-CG1 3.51Å; I4-V584 HydrophobicContact CB-CG2 3.94Å; I4-V584 HydrophobicContact CG2-CG1 3.84Å; I4-V584 WeakPolarHBondContact O-CG1 3.49Å; I4-H585 CarbonylContact O-C 3.48Å; I4-H585 PolarHBondContact O-N 3.28Å
5S55.4Low65.5Low83 Ų8379 Ų7958%0.5842%0.421SS*.  trans-136.9128.917761.60000112.5H585S5-H585 WeakPolarHBondContact CA-O 3.4Å; S5-H585 WeakPolarHBondContact CB-O 3.39Å
6F64.5Low66.8Low29 Ų2978.4 Ų78.413%0.12743%0.425CS..  trans-115.7156.6171.6-166.1-101.6000110.1I8 Q17 A20 I21 I24 L494 F586F6-I8 HydrophobicContact CD1-CG1 3.9Å; F6-I8 HydrophobicContact CE1-CG1 4.11Å; F6-Q17 HydrophobicContact CE1-CB 4.37Å; F6-Q17 HydrophobicContact CZ-CB 4.47Å; F6-A20 HydrophobicContact CE2-CB 3.7Å; F6-A20 HydrophobicContact CZ-CB 3.96Å; F6-I21 HydrophobicContact CD1-CD1 3.91Å; F6-I21 HydrophobicContact CD1-CG1 3.59Å; F6-I21 HydrophobicContact CD2-CG1 4Å; F6-I21 HydrophobicContact CE1-CD1 3.82Å; F6-I21 HydrophobicContact CE1-CG1 3.51Å; F6-I21 HydrophobicContact CE2-CG1 3.93Å; F6-I21 HydrophobicContact CG-CG1 3.84Å; F6-I21 HydrophobicContact CZ-CD1 4.41Å; F6-I21 HydrophobicContact CZ-CG1 3.69Å; F6-I24 HydrophobicContact CD2-CD1 3.72Å; F6-I24 HydrophobicContact CE2-CD1 4.07Å; F6-L494 HydrophobicContact CB-CD1 4.41Å; F6-F586 HydrophobicContact CB-CD1 4.33Å; F6-F586 HydrophobicContact CB-CE1 4.04Å; F6-F586 HydrophobicContact CD1-CE1 4.27Å; F6-F586 WeakPolarHBondContact O-CD1 3.44Å
7T71.7Confident68Low102 Ų10274.6 Ų74.663%0.62640%0.404SS*.  trans-121.8116.1174.8-57.90000108.6
8I70.4Confident68.9Low9 Ų971 Ų715%0.04638%0.384CS..  trans-88.1130.7176.4-60.1175.2000108.7F6 M10 L14 F586F6-I8 HydrophobicContact CD1-CG1 3.9Å; F6-I8 HydrophobicContact CE1-CG1 4.11Å; I8-M10 HydrophobicContact CB-CE 3.76Å; I8-M10 HydrophobicContact CG2-CE 3.6Å; I8-M10 WeakPolarHBondContact O-CE 3.33Å; I8-L14 HydrophobicContact CD1-CD2 4.17Å; I8-L14 HydrophobicContact CG2-CD2 3.71Å; I8-F586 HydrophobicContact CD1-CD1 4.48Å; I8-F586 HydrophobicContact CD1-CE1 3.61Å; I8-F586 HydrophobicContact CD1-CZ 4.09Å; I8-F586 HydrophobicContact CG1-CD1 4.43Å; I8-F586 HydrophobicContact CG1-CE1 3.76Å
9L76.2Confident69.8Low102 Ų10270.4 Ų70.453%0.53438%0.384SS..  trans-82.2114170.3-65.3170.4000108.7E11 L12 Q17L9-E11 VanDerWaalsContact C-N 3.27Å; L9-E11 PolarHBondContact O-N 3.04Å; L9-L12 HydrophobicContact CB-CB 4.32Å; L9-L12 HydrophobicContact CB-CD1 4.12Å; L9-L12 HydrophobicContact CB-CG 4.22Å; L9-L12 HydrophobicContact CD1-CD1 3.68Å; L9-L12 PolarHBondContact O-N 3.01Å; L9-Q17 PolarHBondContact O-NE2 3.44Å
10M76.4Confident70.3Confident42 Ų4269.1 Ų69.121%0.20738%0.384CS..THydrogen-bonded Turntrans-61.2-29.2-170.7-63.7-66.490.700114.5I8 T57 L58 Q59 F588I8-M10 HydrophobicContact CB-CE 3.76Å; I8-M10 HydrophobicContact CG2-CE 3.6Å; I8-M10 WeakPolarHBondContact O-CE 3.33Å; M10-T57 WeakPolarHBondContact O-CB 3.39Å; M10-L58 HydrophobicContact CE-CB 4.01Å; M10-L58 HydrophobicContact CE-CD2 3.51Å; M10-L58 HydrophobicContact CE-CG 4.38Å; M10-L58 HydrophobicContact SD-CB 4.22Å; M10-L58 HydrophobicContact SD-CD2 3.87Å; M10-Q59 HydrophobicContact CB-CB 4.44Å; M10-Q59 WeakPolarHBondContact O-CB 3.4Å; M10-Q59 PolarHBondContact O-N 3.01Å; M10-F588 HydrophobicContact CE-CE1 4.17Å; M10-F588 HydrophobicContact CE-CZ 3.72Å; M10-F588 HydrophobicContact SD-CZ 4.2Å
11E73.8Confident70.8Confident128 Ų12865.9 Ų65.960%0.59837%0.366SS*.THydrogen-bonded Turntrans-94.23.3-178.3-63.5-172.9-161.200114.2L9 T57 Y484L9-E11 VanDerWaalsContact C-N 3.27Å; L9-E11 PolarHBondContact O-N 3.04Å; E11-T57 WeakPolarHBondContact O-CG2 3.39Å; E11-Y484 WeakPolarHBondContact OE1-CD2 3.2Å
12L74.5Confident73.2Confident81 Ų8158.1 Ų58.142%0.42433%0.327SS..SBendtrans-109140176.9-66.5-175.7000111.9L9 L14 Q17L9-L12 HydrophobicContact CB-CB 4.32Å; L9-L12 HydrophobicContact CB-CD1 4.12Å; L9-L12 HydrophobicContact CB-CG 4.22Å; L9-L12 HydrophobicContact CD1-CD1 3.68Å; L9-L12 PolarHBondContact O-N 3.01Å; L12-L14 PolarHBondContact O-N 3.12Å; L12-Q17 PolarHBondContact O-NE2 2.94Å
13P82.2Confident75.2Confident47 Ų4756.6 Ų56.631%0.30532%0.32SS..BIsolated β-bridgetrans-55136.1175.6-26.435.1000111.9S15 S16 S56P13-S15 PolarHBondContact O-N 2.81Å; P13-S16 WeakPolarHBondContact O-CB 3.45Å; P13-S16 PolarHBondContact O-N 3.17Å; P13-S16 PolarHBondContact O-OG 3.22Å; P13-S56 WeakPolarHBondContact CA-O 3.32Å
14L80.6Confident76.6Confident0 Ų057.2 Ų57.20%032%0.32CS..Hα-helixtrans-60.4-30.3-177.7-68.2170.6000112.9I8 L12 S16 Q17 L18 L52 L54 S56 L58I8-L14 HydrophobicContact CD1-CD2 4.17Å; I8-L14 HydrophobicContact CG2-CD2 3.71Å; L12-L14 PolarHBondContact O-N 3.12Å; L14-S16 PolarHBondContact O-N 3.14Å; L14-Q17 PolarHBondContact O-N 3.25Å; L14-L18 PolarHBondContact O-N 2.71Å; L14-L52 HydrophobicContact CD1-CB 3.82Å; L14-L52 HydrophobicContact CD1-CD1 3.89Å; L14-L52 HydrophobicContact CD1-CG 4.46Å; L14-L54 HydrophobicContact CB-CD2 4.08Å; L14-L54 PolarHBondContact N-O 2.71Å; L14-S56 PolarHBondContact N-O 3.42Å; L14-L58 HydrophobicContact CD1-CD1 4.03Å; L14-L58 HydrophobicContact CD2-CD1 4.44Å
15S84.4Confident77.6Confident49 Ų4955.5 Ų55.534%0.34331%0.311SS..Hα-helixtrans-58.6-30.417456.90000113.1P13 Q17 P19 L54P13-S15 PolarHBondContact O-N 2.81Å; S15-Q17 VanDerWaalsContact C-N 3.32Å; S15-P19 WeakPolarHBondContact O-CD 3.41Å; S15-L54 VanDerWaalsContact CB-O 3.23Å; S15-L54 WeakPolarHBondContact CB-O 3.35Å; S15-L54 PolarHBondContact N-O 3.06Å; S15-L54 PolarHBondContact OG-O 3.48Å
16S85.9Confident78.6Confident70 Ų7059 Ų5949%0.4932%0.318SS..Hα-helixtrans-75.1-22.1175.370.60000113.1P13 L14P13-S16 WeakPolarHBondContact O-CB 3.45Å; P13-S16 PolarHBondContact O-N 3.17Å; P13-S16 PolarHBondContact O-OG 3.22Å; L14-S16 PolarHBondContact O-N 3.14Å
17Q86.9Confident79.1Confident14 Ų1458.3 Ų58.37%0.06532%0.316CS..Hα-helixtrans-101.7-27-174.7-55.4-174.967.600112.4F6 L9 L12 L14 S15 P19 A20 I21F6-Q17 HydrophobicContact CE1-CB 4.37Å; F6-Q17 HydrophobicContact CZ-CB 4.47Å; L9-Q17 PolarHBondContact O-NE2 3.44Å; L12-Q17 PolarHBondContact O-NE2 2.94Å; L14-Q17 PolarHBondContact O-N 3.25Å; S15-Q17 VanDerWaalsContact C-N 3.32Å; Q17-P19 VanDerWaalsContact C-N 3.35Å; Q17-A20 WeakPolarHBondContact O-CB 3.38Å; Q17-A20 PolarHBondContact O-N 3.29Å; Q17-I21 PolarHBondContact O-N 3.02Å
18L84.5Confident79.1Confident9 Ų958.1 Ų58.15%0.04732%0.317CS..Hα-helixtrans-50.5-38.7177.6-17267.9000115L14 A20 I21 H22 L31 L36 L54 L77L14-L18 PolarHBondContact O-N 2.71Å; L18-A20 PolarHBondContact O-N 2.7Å; L18-I21 PolarHBondContact O-N 3.04Å; L18-H22 VanDerWaalsContact O-CB 3.29Å; L18-H22 WeakPolarHBondContact O-CB 3.31Å; L18-H22 PolarHBondContact O-N 2.99Å; L18-L31 HydrophobicContact CD2-CD1 4.14Å; L18-L31 HydrophobicContact CG-CD1 3.92Å; L18-L36 HydrophobicContact CD1-CD1 4.17Å; L18-L36 HydrophobicContact CD1-CD2 4.03Å; L18-L36 HydrophobicContact CD1-CG 3.95Å; L18-L54 HydrophobicContact CD2-CD1 3.85Å; L18-L54 HydrophobicContact CD2-CD2 4.3Å; L18-L77 HydrophobicContact CD1-CD1 3.81Å
19P85.9Confident79.2Confident59 Ų5960 Ų6038%0.38333%0.325SS..Hα-helixtrans-61.4-31.9177.7-22.834.1000113.3S15 Q17 K23 L31S15-P19 WeakPolarHBondContact O-CD 3.41Å; Q17-P19 VanDerWaalsContact C-N 3.35Å; P19-K23 VanDerWaalsContact O-CB 3.24Å; P19-K23 WeakPolarHBondContact O-CB 3.47Å; P19-K23 PolarHBondContact O-N 2.77Å; P19-K23 VanDerWaalsContact O-N 3.07Å; P19-L31 HydrophobicContact CB-CD1 4.47Å; P19-L31 HydrophobicContact CB-CD2 3.95Å; P19-L31 HydrophobicContact CG-CD1 4.44Å; P19-L31 HydrophobicContact CG-CD2 4.11Å
20A80.4Confident79.4Confident45 Ų4563 Ų6337%0.37233%0.329SS..Hα-helixtrans-76-41.9176.300000111.5F6 Q17 L18 K23 I24F6-A20 HydrophobicContact CE2-CB 3.7Å; F6-A20 HydrophobicContact CZ-CB 3.96Å; Q17-A20 WeakPolarHBondContact O-CB 3.38Å; Q17-A20 PolarHBondContact O-N 3.29Å; L18-A20 PolarHBondContact O-N 2.7Å; A20-K23 PolarHBondContact O-N 3.33Å; A20-I24 WeakPolarHBondContact O-CD1 3.05Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.41Å; A20-I24 PolarHBondContact O-N 2.75Å
21I80.2Confident79.7Confident2 Ų264.3 Ų64.31%0.0134%0.337CS..Hα-helixtrans-59.1-49.7174.5-60.3171.6000110.4F6 Q17 L18 I24 L25 L36 L494F6-I21 HydrophobicContact CD1-CD1 3.91Å; F6-I21 HydrophobicContact CD1-CG1 3.59Å; F6-I21 HydrophobicContact CD2-CG1 4Å; F6-I21 HydrophobicContact CE1-CD1 3.82Å; F6-I21 HydrophobicContact CE1-CG1 3.51Å; F6-I21 HydrophobicContact CE2-CG1 3.93Å; F6-I21 HydrophobicContact CG-CG1 3.84Å; F6-I21 HydrophobicContact CZ-CD1 4.41Å; F6-I21 HydrophobicContact CZ-CG1 3.69Å; Q17-I21 PolarHBondContact O-N 3.02Å; L18-I21 PolarHBondContact O-N 3.04Å; I21-I24 PolarHBondContact O-N 2.95Å; I21-L25 HydrophobicContact CG2-CD1 3.94Å; I21-L25 PolarHBondContact O-N 3.07Å; I21-L36 HydrophobicContact CD1-CD1 4.11Å; I21-L36 HydrophobicContact CG2-CD2 4.48Å; I21-L494 HydrophobicContact CG2-CD1 4.36Å; I21-L494 HydrophobicContact CG2-CD2 4.31Å
22H82.5Confident80.2Confident33 Ų3363.8 Ų63.815%0.15334%0.335CS..Hα-helixtrans-59.8-47.7178.3-175.5-81.2000111.7L18 I24 L25 H26 P27 H29 L31 S34L18-H22 VanDerWaalsContact O-CB 3.29Å; L18-H22 WeakPolarHBondContact O-CB 3.31Å; L18-H22 PolarHBondContact O-N 2.99Å; H22-I24 VanDerWaalsContact C-N 3.26Å; H22-I24 PolarHBondContact O-N 3.49Å; H22-L25 PolarHBondContact O-N 3.42Å; H22-H26 PolarHBondContact O-N 2.92Å; H22-P27 VanDerWaalsContact CD2-CG 3.44Å; H22-P27 WeakPolarHBondContact CD2-CG 3.49Å; H22-P27 VanDerWaalsContact NE2-CG 3.33Å; H22-P27 WeakPolarHBondContact NE2-CG 3.44Å; H22-P27 WeakPolarHBondContact O-CD 3.37Å; H22-H29 PolarHBondContact NE2-O 2.88Å; H22-L31 HydrophobicContact CB-CD1 3.76Å; H22-L31 PolarHBondContact NE2-N 3.37Å; H22-S34 PolarHBondContact CD2-OG 3.25Å
23K81.1Confident80.8Confident157 Ų15762.1 Ų62.168%0.68333%0.326SS*.Hα-helixtrans-61-31.1176.4-177.6177.5178-175.50113.3P19 A20 H26P19-K23 VanDerWaalsContact O-CB 3.24Å; P19-K23 WeakPolarHBondContact O-CB 3.47Å; P19-K23 PolarHBondContact O-N 2.77Å; P19-K23 VanDerWaalsContact O-N 3.07Å; A20-K23 PolarHBondContact O-N 3.33Å; K23-H26 PolarHBondContact O-CE1 2.98Å; K23-H26 PolarHBondContact O-ND1 3.49Å; K23-H26 PolarHBondContact O-NE2 3.33Å
24I77.3Confident80.9Confident71 Ų7159.9 Ų59.936%0.36431%0.312SS..Hα-helixtrans-77.2-44.6178-70.2162.9000110.6I4 F6 A20 I21 H22 H26I4-I24 HydrophobicContact CD1-CG2 4.39Å; I4-I24 HydrophobicContact CG2-CG2 3.5Å; F6-I24 HydrophobicContact CD2-CD1 3.72Å; F6-I24 HydrophobicContact CE2-CD1 4.07Å; A20-I24 WeakPolarHBondContact O-CD1 3.05Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.41Å; A20-I24 PolarHBondContact O-N 2.75Å; I21-I24 PolarHBondContact O-N 2.95Å; H22-I24 VanDerWaalsContact C-N 3.26Å; H22-I24 PolarHBondContact O-N 3.49Å; I24-H26 VanDerWaalsContact C-N 3.35Å; I24-H26 PolarHBondContact O-N 3.11Å; I24-H26 PolarHBondContact O-ND1 3.41Å
25L74.6Confident81.2Confident33 Ų3360.5 Ų60.517%0.17332%0.316CS..Hα-helixtrans-75.5-17.5-177.2-68176.9000114.4I21 H22 P27 L77 L494I21-L25 HydrophobicContact CG2-CD1 3.94Å; I21-L25 PolarHBondContact O-N 3.07Å; H22-L25 PolarHBondContact O-N 3.42Å; L25-P27 VanDerWaalsContact C-CD 3.46Å; L25-L77 HydrophobicContact CD1-CB 3.82Å; L25-L77 HydrophobicContact CD1-CD2 3.94Å; L25-L77 HydrophobicContact CD1-CG 4.39Å; L25-L494 HydrophobicContact CD1-CD1 4.23Å; L25-L494 HydrophobicContact CD2-CD1 4.24Å; L25-L494 HydrophobicContact CG-CD1 4.45Å
26H77.7Confident81.2Confident156 Ų15658.2 Ų58.272%0.72230%0.299SS*.  trans48.244.5-178.5-62.682.6000115.1H22 K23 I24H22-H26 PolarHBondContact O-N 2.92Å; K23-H26 PolarHBondContact O-CE1 2.98Å; K23-H26 PolarHBondContact O-ND1 3.49Å; K23-H26 PolarHBondContact O-NE2 3.33Å; I24-H26 VanDerWaalsContact C-N 3.35Å; I24-H26 PolarHBondContact O-N 3.11Å; I24-H26 PolarHBondContact O-ND1 3.41Å
27P74.7Confident81Confident15 Ų1555 Ų5510%0.09728%0.277CS..  trans-71.4155.3-176.136.1-39.8000111.6H22 L25 H29 L77 Y496H22-P27 VanDerWaalsContact CD2-CG 3.44Å; H22-P27 WeakPolarHBondContact CD2-CG 3.49Å; H22-P27 VanDerWaalsContact NE2-CG 3.33Å; H22-P27 WeakPolarHBondContact NE2-CG 3.44Å; H22-P27 WeakPolarHBondContact O-CD 3.37Å; L25-P27 VanDerWaalsContact C-CD 3.46Å; P27-H29 PolarHBondContact O-N 3.27Å; P27-L77 HydrophobicContact CB-CD2 4.02Å; P27-L77 HydrophobicContact CG-CD2 3.66Å; P27-Y496 HydrophobicContact CB-CD2 4.46Å; P27-Y496 HydrophobicContact CB-CE2 3.94Å
28P70.6Confident80.7Confident98 Ų9854.4 Ų54.464%0.63627%0.274SS*.SBendtrans-71-19.4175.230.4-36000113.2Y496P28-Y496 WeakPolarHBondContact CD-OH 3.33Å; P28-Y496 VanDerWaalsContact CG-OH 3.26Å; P28-Y496 WeakPolarHBondContact CG-OH 3.36Å
29H72.2Confident80.1Confident49 Ų4955 Ų5523%0.22728%0.276CS..SBendtrans-71.7144.3176.5-51.9108.7000111.1H22 P27 T79 Y496H22-H29 PolarHBondContact NE2-O 2.88Å; P27-H29 PolarHBondContact O-N 3.27Å; H29-T79 PolarHBondContact CD2-OG1 3.39Å; H29-T79 PolarHBondContact NE2-OG1 3.22Å; H29-Y496 PolarHBondContact CE1-OH 3.09Å; H29-Y496 AromaticContact ND1-CE2 3.99Å
30R81.8Confident79.5Confident164 Ų16453.1 Ų53.162%0.61926%0.261SS*.  trans-68.3151.5175-54.1-175178-176.42.4111E32 D33 S34R30-E32 HydrophobicContact CB-CG 3.79Å; R30-E32 WeakPolarHBondContact CD-OE1 3.49Å; R30-E32 IonicContact CZ-OE1 2.72Å; R30-E32 IonicContact NE-OE1 3.72Å; R30-E32 IonicContact NH1-OE1 3.75Å; R30-E32 PolarHBondContact NH1-OE1 3.5Å; R30-E32 PolarHBondContact O-N 3.49Å; R30-D33 HydrophobicContact CB-CB 4.46Å; R30-D33 WeakPolarHBondContact CB-OD2 3.46Å; R30-D33 PolarHBondContact O-N 2.95Å; R30-S34 PolarHBondContact O-N 3.12Å; R30-S34 PolarHBondContact O-OG 2.87Å
31L82.7Confident78.8Confident70 Ų7054.1 Ų54.137%0.36626%0.258SS..G310 helixtrans-56.8-38.8173.6174.560.6000111.9L18 P19 H22 D33 S34L18-L31 HydrophobicContact CD2-CD1 4.14Å; L18-L31 HydrophobicContact CG-CD1 3.92Å; P19-L31 HydrophobicContact CB-CD1 4.47Å; P19-L31 HydrophobicContact CB-CD2 3.95Å; P19-L31 HydrophobicContact CG-CD1 4.44Å; P19-L31 HydrophobicContact CG-CD2 4.11Å; H22-L31 HydrophobicContact CB-CD1 3.76Å; H22-L31 PolarHBondContact NE2-N 3.37Å; L31-D33 VanDerWaalsContact C-N 3.25Å; L31-D33 PolarHBondContact O-N 3.2Å; L31-S34 PolarHBondContact O-N 3.15Å
32E84.4Confident77.9Confident117 Ų11755.3 Ų55.355%0.54727%0.27SS..G310 helixtrans-65.1-25.5177.262.3-171.2167.200113.8R30 K80R30-E32 HydrophobicContact CB-CG 3.79Å; R30-E32 WeakPolarHBondContact CD-OE1 3.49Å; R30-E32 IonicContact CZ-OE1 2.72Å; R30-E32 IonicContact NE-OE1 3.72Å; R30-E32 IonicContact NH1-OE1 3.75Å; R30-E32 PolarHBondContact NH1-OE1 3.5Å; R30-E32 PolarHBondContact O-N 3.49Å; E32-K80 VanDerWaalsContact O-CE 3.31Å; E32-K80 WeakPolarHBondContact O-CE 3.32Å; E32-K80 PolarHBondContact O-NZ 2.7Å
33D86Confident76.4Confident46 Ų4663.6 Ų63.625%0.24631%0.309CS..G310 helixtrans-96.9-3.3-179.6-61.5-48.4000113.4R30 L31 K80 V83R30-D33 HydrophobicContact CB-CB 4.46Å; R30-D33 WeakPolarHBondContact CB-OD2 3.46Å; R30-D33 PolarHBondContact O-N 2.95Å; L31-D33 VanDerWaalsContact C-N 3.25Å; L31-D33 PolarHBondContact O-N 3.2Å; D33-K80 WeakPolarHBondContact O-CB 3.43Å; D33-K80 WeakPolarHBondContact O-CG 3.42Å; D33-K80 PolarHBondContact O-N 3.12Å; D33-V83 HydrophobicContact CB-CG2 4.31Å; D33-V83 WeakPolarHBondContact OD1-CG2 3.44Å
34S85.7Confident75.3Confident1 Ų161 Ų611%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-90.1143.2-172.4-62.30000113.4H22 R30 L31 K80H22-S34 PolarHBondContact CD2-OG 3.25Å; R30-S34 PolarHBondContact O-N 3.12Å; R30-S34 PolarHBondContact O-OG 2.87Å; L31-S34 PolarHBondContact O-N 3.15Å; S34-K80 WeakPolarHBondContact O-CE 3.48Å
35T86.4Confident74.3Confident13 Ų1365.7 Ų65.78%0.0834%0.337CS..EExtended strand (participates in β ladder)trans-139.2172.7172.5-161.10000111.6Y51 L77 R78 K80T35-Y51 HydrophobicContact CG2-CD1 3.69Å; T35-Y51 HydrophobicContact CG2-CE1 3.66Å; T35-L77 WeakPolarHBondContact O-CA 3.25Å; T35-R78 HydrophobicContact CG2-CB 4.4Å; T35-R78 WeakPolarHBondContact CG2-O 3.43Å; T35-R78 PolarHBondContact N-O 3.39Å; T35-R78 PolarHBondContact O-N 3.29Å; T35-R78 VanDerWaalsContact O-O 3.13Å; T35-K80 HydrophobicContact CG2-CG 4.37Å
36L84.7Confident73.8Confident0 Ų066.6 Ų66.60%035%0.346CS..EExtended strand (participates in β ladder)trans-117137.6-179.9-61.8173.3000109.7L18 I21 L52 L54 V75 V76 L77L18-L36 HydrophobicContact CD1-CD1 4.17Å; L18-L36 HydrophobicContact CD1-CD2 4.03Å; L18-L36 HydrophobicContact CD1-CG 3.95Å; I21-L36 HydrophobicContact CD1-CD1 4.11Å; I21-L36 HydrophobicContact CG2-CD2 4.48Å; L36-L52 HydrophobicContact CB-CB 4.15Å; L36-L52 HydrophobicContact CB-CD1 3.9Å; L36-L52 HydrophobicContact CB-CG 4.16Å; L36-L52 HydrophobicContact CD1-CD1 4.41Å; L36-L52 PolarHBondContact O-N 3.36Å; L36-L54 HydrophobicContact CD1-CD2 4.08Å; L36-L54 HydrophobicContact CG-CD2 4.23Å; L36-V75 HydrophobicContact CB-CG1 3.78Å; L36-V75 HydrophobicContact CD1-CG1 4.4Å; L36-V75 HydrophobicContact CD2-CG1 3.81Å; L36-V75 HydrophobicContact CG-CG1 4.19Å; L36-V76 WeakPolarHBondContact CA-O 3.49Å; L36-L77 HydrophobicContact CD2-CD1 3.64Å
37Q81.6Confident73.5Confident4 Ų464.4 Ų64.42%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-134132.7178.7-170.8179.58.800110.8G49 Y51 V75 V76 R78Q37-G49 VanDerWaalsContact CG-O 3.27Å; Q37-G49 WeakPolarHBondContact CG-O 3.39Å; Q37-G49 PolarHBondContact NE2-O 2.85Å; Q37-Y51 HydrophobicContact CB-CD1 3.76Å; Q37-Y51 HydrophobicContact CB-CE1 3.81Å; Q37-Y51 HydrophobicContact CB-CG 4.25Å; Q37-Y51 HydrophobicContact CG-CD1 3.95Å; Q37-Y51 HydrophobicContact CG-CD2 4.01Å; Q37-Y51 HydrophobicContact CG-CE1 4.01Å; Q37-Y51 HydrophobicContact CG-CE2 4.07Å; Q37-Y51 HydrophobicContact CG-CG 3.97Å; Q37-Y51 PolarHBondContact OE1-OH 2.9Å; Q37-Y51 VanDerWaalsContact OE1-OH 3.11Å; Q37-V75 CarbonylContact O-C 3.46Å; Q37-V75 VanDerWaalsContact O-CA 3.27Å; Q37-V75 WeakPolarHBondContact O-CA 3.32Å; Q37-V76 PolarHBondContact N-O 3.05Å; Q37-V76 PolarHBondContact O-N 3.39Å; Q37-R78 HydrophobicContact CB-CG 4.31Å
38L79.2Confident73.4Confident1 Ų167.5 Ų67.51%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-65.2149.1174.5-160.779.4000110.4K40 G49 S50 I67 S74 V75L38-K40 HydrophobicContact CD2-CG 4.19Å; L38-G49 CarbonylContact O-C 3.57Å; L38-G49 WeakPolarHBondContact O-CA 3.25Å; L38-G49 PolarHBondContact O-N 2.61Å; L38-S50 WeakPolarHBondContact CB-O 3.3Å; L38-S50 PolarHBondContact N-O 2.94Å; L38-I67 HydrophobicContact CD1-CD1 4.24Å; L38-I67 HydrophobicContact CD2-CD1 4.46Å; L38-I67 HydrophobicContact CD2-CG1 4.08Å; L38-S74 CarbonylContact C-O 3.38Å; L38-S74 WeakPolarHBondContact CA-O 3.2Å; L38-S74 WeakPolarHBondContact CD1-O 3.5Å; L38-V75 HydrophobicContact CD1-CG2 4.07Å
39Y73.3Confident73.4Confident22 Ų2263.4 Ų63.49%0.08632%0.324CS..EExtended strand (participates in β ladder)trans-140128.8172.6173.7-82.2000108.1F41 S46 E47 F48 N73 S74 V76Y39-F41 HydrophobicContact CD1-CE1 4.48Å; Y39-F41 HydrophobicContact CD1-CZ 4.38Å; Y39-F41 HydrophobicContact CE1-CD1 4.05Å; Y39-F41 AromaticContact CE1-CE1 3.72Å; Y39-F41 HydrophobicContact CE1-CE1 3.72Å; Y39-F41 AromaticContact CE1-CZ 3.97Å; Y39-F41 HydrophobicContact CE1-CZ 3.97Å; Y39-S46 VanDerWaalsContact OH-CB 3.27Å; Y39-S46 WeakPolarHBondContact OH-CB 3.48Å; Y39-E47 CarbonylContact C-O 3.43Å; Y39-E47 VanDerWaalsContact CA-O 3.28Å; Y39-E47 WeakPolarHBondContact CA-O 3.37Å; Y39-E47 WeakPolarHBondContact CD2-O 3.44Å; Y39-F48 AromaticContact CD2-CD1 3.8Å; Y39-F48 HydrophobicContact CD2-CD1 3.8Å; Y39-F48 AromaticContact CD2-CD2 3.97Å; Y39-F48 HydrophobicContact CD2-CD2 3.97Å; Y39-F48 AromaticContact CD2-CE1 3.9Å; Y39-F48 HydrophobicContact CD2-CE1 3.9Å; Y39-F48 HydrophobicContact CD2-CE2 4.06Å; Y39-F48 AromaticContact CD2-CG 3.85Å; Y39-F48 HydrophobicContact CD2-CG 3.85Å; Y39-F48 HydrophobicContact CD2-CZ 4.02Å; Y39-F48 HydrophobicContact CE2-CD2 4.08Å; Y39-F48 HydrophobicContact CE2-CE1 4.46Å; Y39-F48 AromaticContact CE2-CE2 3.92Å; Y39-F48 HydrophobicContact CE2-CE2 3.92Å; Y39-F48 HydrophobicContact CE2-CG 4.43Å; Y39-F48 HydrophobicContact CE2-CZ 4.12Å; Y39-N73 CarbonylContact O-C 3.46Å; Y39-S74 PolarHBondContact N-O 2.86Å; Y39-S74 WeakPolarHBondContact O-CA 3.07Å; Y39-S74 WeakPolarHBondContact O-CB 3.38Å; Y39-S74 PolarHBondContact O-N 3.16Å; Y39-V76 HydrophobicContact CD2-CG2 4.44Å; Y39-V76 HydrophobicContact CG-CG2 4.26Å
40K72.4Confident73.6Confident18 Ų1863.4 Ų63.48%0.07833%0.329CS..EExtended strand (participates in β ladder)trans-108.6125.4-170.1-52.5-167-179.7-178.60110L38 G42 S46 E47 L65 E66 N73L38-K40 HydrophobicContact CD2-CG 4.19Å; K40-G42 PolarHBondContact O-N 2.84Å; K40-G42 VanDerWaalsContact O-N 3.16Å; K40-S46 WeakPolarHBondContact O-CA 3.39Å; K40-E47 HydrophobicContact CB-CG 4.01Å; K40-E47 PolarHBondContact N-O 3.4Å; K40-E47 PolarHBondContact O-N 2.99Å; K40-L65 PolarHBondContact NZ-O 2.91Å; K40-E66 PolarHBondContact NZ-O 3.28Å; K40-N73 WeakPolarHBondContact CG-OD1 3.16Å
41F66.2Low73.6Confident67 Ų6757.3 Ų57.329%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-81.891.4172.3-69.9-75.3000110.1Y39 S46 E72 S74Y39-F41 HydrophobicContact CD1-CE1 4.48Å; Y39-F41 HydrophobicContact CD1-CZ 4.38Å; Y39-F41 HydrophobicContact CE1-CD1 4.05Å; Y39-F41 AromaticContact CE1-CE1 3.72Å; Y39-F41 HydrophobicContact CE1-CE1 3.72Å; Y39-F41 AromaticContact CE1-CZ 3.97Å; Y39-F41 HydrophobicContact CE1-CZ 3.97Å; F41-S46 WeakPolarHBondContact CD1-OG 3.48Å; F41-E72 WeakPolarHBondContact CB-O 3.49Å; F41-E72 HydrophobicContact CD2-CB 4.18Å; F41-E72 PolarHBondContact N-O 3.47Å; F41-S74 WeakPolarHBondContact CE2-OG 3.22Å
42G60.8Low73.6Confident26 Ų2654.3 Ų54.327%0.26829%0.291SS..  trans-79.3153.3170.700000112.5K40 A44 Q45K40-G42 PolarHBondContact O-N 2.84Å; K40-G42 VanDerWaalsContact O-N 3.16Å; G42-A44 PolarHBondContact O-N 2.97Å; G42-Q45 CarbonylContact C-O 3.58Å; G42-Q45 VanDerWaalsContact CA-O 3.23Å; G42-Q45 WeakPolarHBondContact CA-O 3.46Å; G42-Q45 PolarHBondContact N-O 2.73Å
43Q51.5Low73.5Confident208 Ų20851.2 Ų51.297%0.97228%0.278SS*.SBendtrans-70.2-11.4-178.4-70.7-175.1-11.200114.8
44A57.2Low73.4Confident101 Ų10150.2 Ų50.284%0.83527%0.272SS*.SBendtrans-119.9-42.9-178.800000112.6G42G42-A44 PolarHBondContact O-N 2.97Å
45Q56.3Low73.2Confident170 Ų17056.5 Ų56.579%0.79431%0.306SS*.  trans-141.6149171.7-68.6-177-21.300108.5G42G42-Q45 CarbonylContact C-O 3.58Å; G42-Q45 VanDerWaalsContact CA-O 3.23Å; G42-Q45 WeakPolarHBondContact CA-O 3.46Å; G42-Q45 PolarHBondContact N-O 2.73Å
46S65.6Low72.7Confident52 Ų5257 Ų5736%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-100.1131.4172.5-59.10000109.2Y39 K40 F41Y39-S46 VanDerWaalsContact OH-CB 3.27Å; Y39-S46 WeakPolarHBondContact OH-CB 3.48Å; K40-S46 WeakPolarHBondContact O-CA 3.39Å; F41-S46 WeakPolarHBondContact CD1-OG 3.48Å
47E71.1Confident72.4Confident111 Ų11157.9 Ų57.952%0.51932%0.316SS..EExtended strand (participates in β ladder)trans-122.8149.3-167.660.3170.6-163.700112.9Y39 K40Y39-E47 CarbonylContact C-O 3.43Å; Y39-E47 VanDerWaalsContact CA-O 3.28Å; Y39-E47 WeakPolarHBondContact CA-O 3.37Å; Y39-E47 WeakPolarHBondContact CD2-O 3.44Å; K40-E47 HydrophobicContact CB-CG 4.01Å; K40-E47 PolarHBondContact N-O 3.4Å; K40-E47 PolarHBondContact O-N 2.99Å
48F71.6Confident72.1Confident79 Ų7957.9 Ų57.935%0.34632%0.316SS..EExtended strand (participates in β ladder)trans-78.2121167.1-74.5-89.7000109.7Y39 V76Y39-F48 AromaticContact CD2-CD1 3.8Å; Y39-F48 HydrophobicContact CD2-CD1 3.8Å; Y39-F48 AromaticContact CD2-CD2 3.97Å; Y39-F48 HydrophobicContact CD2-CD2 3.97Å; Y39-F48 AromaticContact CD2-CE1 3.9Å; Y39-F48 HydrophobicContact CD2-CE1 3.9Å; Y39-F48 HydrophobicContact CD2-CE2 4.06Å; Y39-F48 AromaticContact CD2-CG 3.85Å; Y39-F48 HydrophobicContact CD2-CG 3.85Å; Y39-F48 HydrophobicContact CD2-CZ 4.02Å; Y39-F48 HydrophobicContact CE2-CD2 4.08Å; Y39-F48 HydrophobicContact CE2-CE1 4.46Å; Y39-F48 AromaticContact CE2-CE2 3.92Å; Y39-F48 HydrophobicContact CE2-CE2 3.92Å; Y39-F48 HydrophobicContact CE2-CG 4.43Å; Y39-F48 HydrophobicContact CE2-CZ 4.12Å; F48-V76 HydrophobicContact CD1-CG2 4.26Å; F48-V76 HydrophobicContact CE1-CB 4.36Å; F48-V76 HydrophobicContact CE1-CG1 4.34Å; F48-V76 HydrophobicContact CE1-CG2 3.83Å
49G71.9Confident71.9Confident12 Ų1261.7 Ų61.712%0.12433%0.334CS..EExtended strand (participates in β ladder)trans-93.8-160.5175.700000113Q37 L38Q37-G49 VanDerWaalsContact CG-O 3.27Å; Q37-G49 WeakPolarHBondContact CG-O 3.39Å; Q37-G49 PolarHBondContact NE2-O 2.85Å; L38-G49 CarbonylContact O-C 3.57Å; L38-G49 WeakPolarHBondContact O-CA 3.25Å; L38-G49 PolarHBondContact O-N 2.61Å
50S75.7Confident71.8Confident50 Ų5067 Ų6735%0.3536%0.359SS..EExtended strand (participates in β ladder)trans-59.1138.7-174.4-45.50000113.5L38L38-S50 WeakPolarHBondContact CB-O 3.3Å; L38-S50 PolarHBondContact N-O 2.94Å
51Y81.7Confident72.1Confident36 Ų3666.8 Ų66.814%0.14136%0.358CS..EExtended strand (participates in β ladder)trans-65.5135.4163.9-78.7-88.2000110.9T35 Q37 R78 L81 R84 D114 D116T35-Y51 HydrophobicContact CG2-CD1 3.69Å; T35-Y51 HydrophobicContact CG2-CE1 3.66Å; Q37-Y51 HydrophobicContact CB-CD1 3.76Å; Q37-Y51 HydrophobicContact CB-CE1 3.81Å; Q37-Y51 HydrophobicContact CB-CG 4.25Å; Q37-Y51 HydrophobicContact CG-CD1 3.95Å; Q37-Y51 HydrophobicContact CG-CD2 4.01Å; Q37-Y51 HydrophobicContact CG-CE1 4.01Å; Q37-Y51 HydrophobicContact CG-CE2 4.07Å; Q37-Y51 HydrophobicContact CG-CG 3.97Å; Q37-Y51 PolarHBondContact OE1-OH 2.9Å; Q37-Y51 VanDerWaalsContact OE1-OH 3.11Å; Y51-R78 HydrophobicContact CE1-CB 4.35Å; Y51-L81 HydrophobicContact CD1-CD1 4.4Å; Y51-L81 HydrophobicContact CD2-CD1 3.73Å; Y51-L81 HydrophobicContact CD2-CD2 4.47Å; Y51-L81 HydrophobicContact CD2-CG 4.33Å; Y51-L81 HydrophobicContact CE1-CD1 4.42Å; Y51-L81 HydrophobicContact CE1-CD2 4.37Å; Y51-L81 HydrophobicContact CE1-CG 4.11Å; Y51-L81 HydrophobicContact CE2-CD1 3.74Å; Y51-L81 HydrophobicContact CE2-CD2 3.63Å; Y51-L81 HydrophobicContact CE2-CG 3.89Å; Y51-L81 HydrophobicContact CG-CD1 4.06Å; Y51-L81 WeakPolarHBondContact OH-CD2 3.33Å; Y51-R84 PolarHBondContact OH-NH1 3.06Å; Y51-D114 PolarHBondContact OH-OD2 3.47Å; Y51-D114 VanDerWaalsContact OH-OD2 3.1Å; Y51-D116 HydrophobicContact CD2-CB 3.85Å; Y51-D116 HydrophobicContact CE2-CB 3.83Å
52L81.5Confident72.4Confident6 Ų666.7 Ų66.73%0.03136%0.356CS..PPolyproline II helixtrans-80.2130.1175.5-52.9-173.3000109.6L14 L36 L54 L58 L65 V75L14-L52 HydrophobicContact CD1-CB 3.82Å; L14-L52 HydrophobicContact CD1-CD1 3.89Å; L14-L52 HydrophobicContact CD1-CG 4.46Å; L36-L52 HydrophobicContact CB-CB 4.15Å; L36-L52 HydrophobicContact CB-CD1 3.9Å; L36-L52 HydrophobicContact CB-CG 4.16Å; L36-L52 HydrophobicContact CD1-CD1 4.41Å; L36-L52 PolarHBondContact O-N 3.36Å; L52-L54 PolarHBondContact O-N 2.99Å; L52-L58 HydrophobicContact CD1-CD1 4.12Å; L52-L58 HydrophobicContact CD2-CD1 4.4Å; L52-L65 HydrophobicContact CD2-CD1 4.31Å; L52-L65 HydrophobicContact CD2-CD2 3.5Å; L52-L65 VanDerWaalsContact CD2-CD2 3.5Å; L52-V75 HydrophobicContact CD1-CG1 4.12Å; L52-V75 HydrophobicContact CD1-CG2 4Å
53D82.6Confident72.7Confident53 Ų5374.3 Ų74.328%0.28339%0.385SS..PPolyproline II helixtrans-78.5117.1173.6156.7-11.7000108.3D55 S56 Q61 K1311D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 3.02Å; D53-D55 PolarHBondContact OD1-N 3.1Å; D53-S56 PolarHBondContact OD1-N 2.88Å; D53-S56 PolarHBondContact OD1-OG 3.27Å; D53-S56 PolarHBondContact OD2-OG 3.16Å; D53-Q61 VanDerWaalsContact CB-NE2 3.25Å; D53-Q61 PolarHBondContact O-NE2 2.91Å; D53-K1311 IonicContact OD2-NZ 3.93Å; D53-K1311 PolarHBondContact OD2-NZ 3.01Å
54L84Confident73.3Confident24 Ų2469.7 Ų69.713%0.12637%0.367CS..THydrogen-bonded Turntrans-71.6-20.6-169.7-64.9172.6000113.4L14 S15 L18 L36 L52L14-L54 HydrophobicContact CB-CD2 4.08Å; L14-L54 PolarHBondContact N-O 2.71Å; S15-L54 VanDerWaalsContact CB-O 3.23Å; S15-L54 WeakPolarHBondContact CB-O 3.35Å; S15-L54 PolarHBondContact N-O 3.06Å; S15-L54 PolarHBondContact OG-O 3.48Å; L18-L54 HydrophobicContact CD2-CD1 3.85Å; L18-L54 HydrophobicContact CD2-CD2 4.3Å; L36-L54 HydrophobicContact CD1-CD2 4.08Å; L36-L54 HydrophobicContact CG-CD2 4.23Å; L52-L54 PolarHBondContact O-N 2.99Å
55D81.5Confident73.8Confident133 Ų13365.2 Ų65.271%0.71133%0.329SS*.THydrogen-bonded Turntrans-90.1-11.8-173.2-66.6-35.6000112.8D53D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 3.02Å; D53-D55 PolarHBondContact OD1-N 3.1Å
56S77.2Confident74.1Confident24 Ų2464.3 Ų64.317%0.16832%0.324CS..SBendtrans-94.8165.1169.5-190000112.4P13 L14 D53 Q61P13-S56 WeakPolarHBondContact CA-O 3.32Å; L14-S56 PolarHBondContact N-O 3.42Å; D53-S56 PolarHBondContact OD1-N 2.88Å; D53-S56 PolarHBondContact OD1-OG 3.27Å; D53-S56 PolarHBondContact OD2-OG 3.16Å; S56-Q61 PolarHBondContact OG-NE2 3.16Å
57T77.8Confident74Confident19 Ų1963.3 Ų63.312%0.11732%0.315CS..BIsolated β-bridgetrans-76155.4166.567.20000110.9M10 E11 Q59 E60M10-T57 WeakPolarHBondContact O-CB 3.39Å; E11-T57 WeakPolarHBondContact O-CG2 3.39Å; T57-Q59 PolarHBondContact O-N 2.71Å; T57-E60 WeakPolarHBondContact CB-OE2 3.41Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.43Å; T57-E60 PolarHBondContact N-OE2 2.98Å; T57-E60 PolarHBondContact O-N 3.45Å; T57-E60 WeakPolarHBondContact OG1-CB 3.24Å; T57-E60 VanDerWaalsContact OG1-CD 3.27Å; T57-E60 WeakPolarHBondContact OG1-CG 3.42Å; T57-E60 PolarHBondContact OG1-N 2.72Å; T57-E60 PolarHBondContact OG1-OE2 2.64Å
58L75.6Confident73.2Confident4 Ų461.4 Ų61.42%0.02131%0.314CS..Hα-helixtrans-66.4-29175.2-15877.1000111.3M10 L14 L52 E60 Q61 W62 L65M10-L58 HydrophobicContact CE-CB 4.01Å; M10-L58 HydrophobicContact CE-CD2 3.51Å; M10-L58 HydrophobicContact CE-CG 4.38Å; M10-L58 HydrophobicContact SD-CB 4.22Å; M10-L58 HydrophobicContact SD-CD2 3.87Å; L14-L58 HydrophobicContact CD1-CD1 4.03Å; L14-L58 HydrophobicContact CD2-CD1 4.44Å; L52-L58 HydrophobicContact CD1-CD1 4.12Å; L52-L58 HydrophobicContact CD2-CD1 4.4Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 2.85Å; L58-Q61 PolarHBondContact O-N 3.34Å; L58-W62 HydrophobicContact CD2-CE3 4.35Å; L58-W62 HydrophobicContact CD2-CZ3 4.29Å; L58-W62 PolarHBondContact O-N 3.03Å; L58-L65 HydrophobicContact CD1-CD1 4.09Å
59Q73.9Confident72.2Confident81 Ų8159.8 Ų59.838%0.37932%0.315SS..Hα-helixtrans-62.2-36.2175.3-172.262.448.700112.8M10 T57 Q61M10-Q59 HydrophobicContact CB-CB 4.44Å; M10-Q59 WeakPolarHBondContact O-CB 3.4Å; M10-Q59 PolarHBondContact O-N 3.01Å; T57-Q59 PolarHBondContact O-N 2.71Å; Q59-Q61 VanDerWaalsContact C-N 3.3Å
60E72.7Confident71.2Confident134 Ų13465.9 Ų65.963%0.62635%0.345SS*.Hα-helixtrans-74-19.6176.9-74.4163.7128.900113.5T57 L58T57-E60 WeakPolarHBondContact CB-OE2 3.41Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.43Å; T57-E60 PolarHBondContact N-OE2 2.98Å; T57-E60 PolarHBondContact O-N 3.45Å; T57-E60 WeakPolarHBondContact OG1-CB 3.24Å; T57-E60 VanDerWaalsContact OG1-CD 3.27Å; T57-E60 WeakPolarHBondContact OG1-CG 3.42Å; T57-E60 PolarHBondContact OG1-N 2.72Å; T57-E60 PolarHBondContact OG1-OE2 2.64Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 2.85Å
61Q77.6Confident70.3Confident12 Ų1266.7 Ų66.76%0.05634%0.343CS..Hα-helixtrans-102.4-9.4-178.8-65.7176.210.300113.1D53 S56 L58 Q59 E63 D64 L65D53-Q61 VanDerWaalsContact CB-NE2 3.25Å; D53-Q61 PolarHBondContact O-NE2 2.91Å; S56-Q61 PolarHBondContact OG-NE2 3.16Å; L58-Q61 PolarHBondContact O-N 3.34Å; Q59-Q61 VanDerWaalsContact C-N 3.3Å; Q61-E63 VanDerWaalsContact C-N 3.25Å; Q61-E63 PolarHBondContact O-N 2.96Å; Q61-E63 VanDerWaalsContact O-N 3.13Å; Q61-D64 PolarHBondContact O-N 3.47Å; Q61-L65 HydrophobicContact CB-CD1 4.48Å; Q61-L65 WeakPolarHBondContact O-CG 3.38Å; Q61-L65 PolarHBondContact O-N 2.69Å
62W72.7Confident69.2Low66 Ų6670.2 Ų70.225%0.2536%0.361CS..THydrogen-bonded Turntrans-58.1-33.2-169-170.8-92.9000114.4L58 I67L58-W62 HydrophobicContact CD2-CE3 4.35Å; L58-W62 HydrophobicContact CD2-CZ3 4.29Å; L58-W62 PolarHBondContact O-N 3.03Å; W62-I67 HydrophobicContact CH2-CD1 4.37Å; W62-I67 HydrophobicContact CZ3-CD1 4.29Å
63E67.6Low68.5Low186 Ų18670 Ų7087%0.86936%0.36SS*.THydrogen-bonded Turntrans-72.8-30.3176.5-61.7-173.3163.200112.7Q61Q61-E63 VanDerWaalsContact C-N 3.25Å; Q61-E63 PolarHBondContact O-N 2.96Å; Q61-E63 VanDerWaalsContact O-N 3.13Å
64D64.4Low67.8Low110 Ų11067.5 Ų67.559%0.58835%0.346SS*.THydrogen-bonded Turntrans-81.8-12.1-177.7-70.3-24.8000113.4Q61Q61-D64 PolarHBondContact O-N 3.47Å
65L67.3Low67.3Low7 Ų766.5 Ų66.54%0.03734%0.341CS..THydrogen-bonded Turntrans-85.9-9.6-171-70.5170.6000115.1K40 L52 L58 Q61 I67K40-L65 PolarHBondContact NZ-O 2.91Å; L52-L65 HydrophobicContact CD2-CD1 4.31Å; L52-L65 HydrophobicContact CD2-CD2 3.5Å; L52-L65 VanDerWaalsContact CD2-CD2 3.5Å; L58-L65 HydrophobicContact CD1-CD1 4.09Å; Q61-L65 HydrophobicContact CB-CD1 4.48Å; Q61-L65 WeakPolarHBondContact O-CG 3.38Å; Q61-L65 PolarHBondContact O-N 2.69Å; L65-I67 VanDerWaalsContact C-N 3.25Å; L65-I67 HydrophobicContact CB-CD1 3.78Å; L65-I67 HydrophobicContact CB-CG1 3.9Å; L65-I67 HydrophobicContact CD1-CD1 4.06Å; L65-I67 PolarHBondContact O-N 3.42Å
66E63Low67.1Low151 Ų15160.2 Ų60.271%0.70631%0.307SS*.  trans48.744-179-66-178.1170.400113.3K40 S68K40-E66 PolarHBondContact NZ-O 3.28Å; E66-S68 PolarHBondContact O-N 3.32Å
67I61.8Low67.3Low32 Ų3259.2 Ų59.216%0.16430%0.3CS..  trans-84.8109.1179.3-66.6168.4000109.6L38 W62 L65L38-I67 HydrophobicContact CD1-CD1 4.24Å; L38-I67 HydrophobicContact CD2-CD1 4.46Å; L38-I67 HydrophobicContact CD2-CG1 4.08Å; W62-I67 HydrophobicContact CH2-CD1 4.37Å; W62-I67 HydrophobicContact CZ3-CD1 4.29Å; L65-I67 VanDerWaalsContact C-N 3.25Å; L65-I67 HydrophobicContact CB-CD1 3.78Å; L65-I67 HydrophobicContact CB-CG1 3.9Å; L65-I67 HydrophobicContact CD1-CD1 4.06Å; L65-I67 PolarHBondContact O-N 3.42Å
68S54.9Low67.4Low71 Ų7159.1 Ų59.150%0.49730%0.298SS..  trans-76.9131.6167.8-73.20000110.4E66 D70 Q71E66-S68 PolarHBondContact O-N 3.32Å; S68-D70 PolarHBondContact O-N 3.03Å; S68-Q71 PolarHBondContact O-N 2.91Å
69A51.4Low67.8Low45 Ų4560 Ų6037%0.37230%0.303SS..THydrogen-bonded Turntrans-67.4-0.1-175.800000114.8K490A69-K490 VanDerWaalsContact O-CD 3.31Å; A69-K490 WeakPolarHBondContact O-CD 3.31Å; A69-K490 WeakPolarHBondContact O-CE 3.12Å; A69-K490 PolarHBondContact O-NZ 3.21Å
70D50.6Low68.4Low140 Ų14059.5 Ų59.575%0.74930%0.3SS*.THydrogen-bonded Turntrans-110-3-178.9-65.8-48.9000114.7S68 K490S68-D70 PolarHBondContact O-N 3.03Å; D70-K490 IonicContact OD1-NZ 2.72Å; D70-K490 PolarHBondContact OD1-NZ 3.35Å
71Q56.7Low69Low67 Ų6753.9 Ų53.931%0.31327%0.274SS..SBendtrans-105.5139.3174.9-73.8177.8-28.800111.3S68 N73S68-Q71 PolarHBondContact O-N 2.91Å; Q71-N73 PolarHBondContact O-ND2 3.43Å
72E58.4Low69.5Low109 Ų10955.4 Ų55.451%0.50928%0.284SS..  trans-68.9132.8160.4-63-166.9137.900108.2F41F41-E72 WeakPolarHBondContact CB-O 3.49Å; F41-E72 HydrophobicContact CD2-CB 4.18Å; F41-E72 PolarHBondContact N-O 3.47Å
73N65.8Low70.2Confident3 Ų354.3 Ų54.32%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-119.2171.5-179-76.9-94.2000109.1Y39 K40 Q71 G491 I492 S493Y39-N73 CarbonylContact O-C 3.46Å; K40-N73 WeakPolarHBondContact CG-OD1 3.16Å; Q71-N73 PolarHBondContact O-ND2 3.43Å; N73-G491 PolarHBondContact N-O 2.83Å; N73-I492 HydrophobicContact CB-CG1 4.34Å; N73-I492 CarbonylContact O-C 3.54Å; N73-I492 WeakPolarHBondContact O-CA 3.38Å; N73-S493 WeakPolarHBondContact O-CB 3.18Å; N73-S493 PolarHBondContact O-N 3.24Å
74S69.1Low71.2Confident0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-141.2157.7-175.8-78.10000112.1L38 Y39 F41 S493L38-S74 CarbonylContact C-O 3.38Å; L38-S74 WeakPolarHBondContact CA-O 3.2Å; L38-S74 WeakPolarHBondContact CD1-O 3.5Å; Y39-S74 PolarHBondContact N-O 2.86Å; Y39-S74 WeakPolarHBondContact O-CA 3.07Å; Y39-S74 WeakPolarHBondContact O-CB 3.38Å; Y39-S74 PolarHBondContact O-N 3.16Å; F41-S74 WeakPolarHBondContact CE2-OG 3.22Å; S74-S493 CarbonylContact C-O 3.42Å; S74-S493 VanDerWaalsContact C-O 3.26Å; S74-S493 WeakPolarHBondContact CA-O 3.26Å; S74-S493 WeakPolarHBondContact CB-O 3.32Å; S74-S493 VanDerWaalsContact OG-CB 3.27Å; S74-S493 WeakPolarHBondContact OG-CB 3.43Å; S74-S493 PolarHBondContact OG-O 3.06Å; S74-S493 VanDerWaalsContact OG-O 3.09Å
75V73.3Confident72.4Confident3 Ų341.9 Ų41.92%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-130.7102.1171166.10000108.8L36 Q37 L38 L52 I492 S493 L494 F586L36-V75 HydrophobicContact CB-CG1 3.78Å; L36-V75 HydrophobicContact CD1-CG1 4.4Å; L36-V75 HydrophobicContact CD2-CG1 3.81Å; L36-V75 HydrophobicContact CG-CG1 4.19Å; Q37-V75 CarbonylContact O-C 3.46Å; Q37-V75 VanDerWaalsContact O-CA 3.27Å; Q37-V75 WeakPolarHBondContact O-CA 3.32Å; L38-V75 HydrophobicContact CD1-CG2 4.07Å; L52-V75 HydrophobicContact CD1-CG1 4.12Å; L52-V75 HydrophobicContact CD1-CG2 4Å; V75-I492 HydrophobicContact CB-CG2 4Å; V75-I492 HydrophobicContact CG2-CG2 3.58Å; V75-S493 PolarHBondContact N-O 2.8Å; V75-L494 HydrophobicContact CB-CD2 4.31Å; V75-L494 HydrophobicContact CG1-CD2 4.14Å; V75-L494 VanDerWaalsContact O-CA 3.25Å; V75-L494 WeakPolarHBondContact O-CA 3.3Å; V75-L494 WeakPolarHBondContact O-CD2 3.49Å; V75-F586 HydrophobicContact CB-CE2 4.09Å; V75-F586 HydrophobicContact CB-CZ 4.24Å
76V77.7Confident73.5Confident0 Ų046.8 Ų46.80%024%0.243CC..EExtended strand (participates in β ladder)trans-80.2133.7-178.6-162.20000109.5L36 Q37 Y39 F48 R78 V495 D497L36-V76 WeakPolarHBondContact CA-O 3.49Å; Q37-V76 PolarHBondContact N-O 3.05Å; Q37-V76 PolarHBondContact O-N 3.39Å; Y39-V76 HydrophobicContact CD2-CG2 4.44Å; Y39-V76 HydrophobicContact CG-CG2 4.26Å; F48-V76 HydrophobicContact CD1-CG2 4.26Å; F48-V76 HydrophobicContact CE1-CB 4.36Å; F48-V76 HydrophobicContact CE1-CG1 4.34Å; F48-V76 HydrophobicContact CE1-CG2 3.83Å; V76-R78 HydrophobicContact CB-CG 3.89Å; V76-R78 HydrophobicContact CG1-CG 3.72Å; V76-R78 PolarHBondContact O-N 3.21Å; V76-V495 WeakPolarHBondContact CA-O 3.32Å; V76-V495 HydrophobicContact CB-CB 4.48Å; V76-V495 HydrophobicContact CG1-CB 4.1Å; V76-V495 HydrophobicContact CG1-CG1 4.41Å; V76-V495 VanDerWaalsContact CG1-O 3.3Å; V76-V495 WeakPolarHBondContact CG1-O 3.04Å; V76-V495 HydrophobicContact CG2-CB 4.1Å; V76-D497 HydrophobicContact CG1-CB 4.02Å
77L81.6Confident74.7Confident3 Ų341.7 Ų41.72%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-81107.5167.6-170.881.2000108.3L18 L25 P27 T35 L36 V495L18-L77 HydrophobicContact CD1-CD1 3.81Å; L25-L77 HydrophobicContact CD1-CB 3.82Å; L25-L77 HydrophobicContact CD1-CD2 3.94Å; L25-L77 HydrophobicContact CD1-CG 4.39Å; P27-L77 HydrophobicContact CB-CD2 4.02Å; P27-L77 HydrophobicContact CG-CD2 3.66Å; T35-L77 WeakPolarHBondContact O-CA 3.25Å; L36-L77 HydrophobicContact CD2-CD1 3.64Å; L77-V495 PolarHBondContact N-O 2.96Å; L77-V495 VanDerWaalsContact N-O 3.16Å
78R80.4Confident76Confident17 Ų1741.6 Ų41.66%0.06423%0.226CC..EExtended strand (participates in β ladder)trans-116.9159.9-175.6-65.2-104.1-86.5173.91.1110.3T35 Q37 Y51 V76 D114 D497 E499T35-R78 HydrophobicContact CG2-CB 4.4Å; T35-R78 WeakPolarHBondContact CG2-O 3.43Å; T35-R78 PolarHBondContact N-O 3.39Å; T35-R78 PolarHBondContact O-N 3.29Å; T35-R78 VanDerWaalsContact O-O 3.13Å; Q37-R78 HydrophobicContact CB-CG 4.31Å; Y51-R78 HydrophobicContact CE1-CB 4.35Å; V76-R78 HydrophobicContact CB-CG 3.89Å; V76-R78 HydrophobicContact CG1-CG 3.72Å; V76-R78 PolarHBondContact O-N 3.21Å; R78-D114 IonicContact NH2-OD2 3.66Å; R78-D114 PolarHBondContact NH2-OD2 2.94Å; R78-D497 WeakPolarHBondContact CD-OD2 3.43Å; R78-D497 IonicContact CZ-OD2 2.83Å; R78-D497 IonicContact NE-OD2 3.2Å; R78-D497 IonicContact NH1-OD2 3.67Å; R78-D497 PolarHBondContact NH1-OD2 3.33Å; R78-E499 IonicContact NH1-OE2 2.8Å; R78-E499 PolarHBondContact NH1-OE2 3.17Å
79T82.2Confident77.7Confident23 Ų2339.3 Ų39.314%0.14121%0.208CC..EExtended strand (participates in β ladder)trans-71.8136.8170.5-63.40000110.2H29 L81 V83 R84H29-T79 PolarHBondContact CD2-OG1 3.39Å; H29-T79 PolarHBondContact NE2-OG1 3.22Å; T79-L81 PolarHBondContact O-N 3.33Å; T79-V83 HydrophobicContact CG2-CB 3.89Å; T79-V83 HydrophobicContact CG2-CG1 3.86Å; T79-R84 HydrophobicContact CG2-CG 4.01Å; T79-R84 WeakPolarHBondContact O-CD 3.42Å
80K86.5Confident79.5Confident70 Ų7043.1 Ų43.130%0.30422%0.218SC..  trans-50.3133.9178.7-79.7175-175.5178.80111.1E32 D33 S34 T35 V82 V83 R84E32-K80 VanDerWaalsContact O-CE 3.31Å; E32-K80 WeakPolarHBondContact O-CE 3.32Å; E32-K80 PolarHBondContact O-NZ 2.7Å; D33-K80 WeakPolarHBondContact O-CB 3.43Å; D33-K80 WeakPolarHBondContact O-CG 3.42Å; D33-K80 PolarHBondContact O-N 3.12Å; S34-K80 WeakPolarHBondContact O-CE 3.48Å; T35-K80 HydrophobicContact CG2-CG 4.37Å; K80-V82 VanDerWaalsContact C-N 3.26Å; K80-V82 PolarHBondContact O-N 2.84Å; K80-V83 HydrophobicContact CB-CB 4.47Å; K80-V83 HydrophobicContact CB-CG2 4.02Å; K80-V83 WeakPolarHBondContact O-CA 3.17Å; K80-V83 WeakPolarHBondContact O-CB 3.5Å; K80-V83 PolarHBondContact O-N 3.22Å; K80-R84 PolarHBondContact O-N 2.74Å
81L86.8Confident81.4Confident16 Ų1641.1 Ų41.18%0.08420%0.202CC..Hα-helixtrans-52.8-42.7-179.7-67.9164.3000112.5Y51 T79 V83 R84 V85 D116 L117 E120Y51-L81 HydrophobicContact CD1-CD1 4.4Å; Y51-L81 HydrophobicContact CD2-CD1 3.73Å; Y51-L81 HydrophobicContact CD2-CD2 4.47Å; Y51-L81 HydrophobicContact CD2-CG 4.33Å; Y51-L81 HydrophobicContact CE1-CD1 4.42Å; Y51-L81 HydrophobicContact CE1-CD2 4.37Å; Y51-L81 HydrophobicContact CE1-CG 4.11Å; Y51-L81 HydrophobicContact CE2-CD1 3.74Å; Y51-L81 HydrophobicContact CE2-CD2 3.63Å; Y51-L81 HydrophobicContact CE2-CG 3.89Å; Y51-L81 HydrophobicContact CG-CD1 4.06Å; Y51-L81 WeakPolarHBondContact OH-CD2 3.33Å; T79-L81 PolarHBondContact O-N 3.33Å; L81-V83 PolarHBondContact O-N 3.43Å; L81-R84 PolarHBondContact O-N 3.36Å; L81-V85 WeakPolarHBondContact O-CB 3.42Å; L81-V85 WeakPolarHBondContact O-CG2 3.28Å; L81-V85 PolarHBondContact O-N 2.95Å; L81-D116 HydrophobicContact CD1-CB 3.8Å; L81-D116 HydrophobicContact CD2-CB 4.23Å; L81-L117 HydrophobicContact CB-CD2 4.35Å; L81-L117 HydrophobicContact CD2-CD2 3.46Å; L81-L117 VanDerWaalsContact CD2-CD2 3.46Å; L81-L117 HydrophobicContact CD2-CG 3.79Å; L81-E120 HydrophobicContact CB-CB 4.49Å; L81-E120 HydrophobicContact CB-CG 3.6Å; L81-E120 HydrophobicContact CD1-CG 4.42Å
82V86.7Confident83Confident44 Ų4438.1 Ų38.127%0.26719%0.189SC..Hα-helixtrans-53.6-38.5173.5171.60000112.9K80 K86 E120 H124K80-V82 VanDerWaalsContact C-N 3.26Å; K80-V82 PolarHBondContact O-N 2.84Å; V82-K86 HydrophobicContact CG1-CD 4.11Å; V82-K86 WeakPolarHBondContact O-CB 3.36Å; V82-K86 WeakPolarHBondContact O-CD 3.49Å; V82-K86 VanDerWaalsContact O-CG 3.24Å; V82-K86 WeakPolarHBondContact O-CG 3.24Å; V82-K86 PolarHBondContact O-N 2.88Å; V82-E120 HydrophobicContact CG2-CG 4.44Å; V82-E120 WeakPolarHBondContact CG2-OE2 3.41Å; V82-H124 WeakPolarHBondContact CG1-NE2 3.41Å
83V87.3Confident84.4Confident44 Ų4437 Ų3727%0.26719%0.186SC..Hα-helixtrans-77.7-44-179.1-179.60000110.1D33 T79 K80 L81 V85 K86 A87D33-V83 HydrophobicContact CB-CG2 4.31Å; D33-V83 WeakPolarHBondContact OD1-CG2 3.44Å; T79-V83 HydrophobicContact CG2-CB 3.89Å; T79-V83 HydrophobicContact CG2-CG1 3.86Å; K80-V83 HydrophobicContact CB-CB 4.47Å; K80-V83 HydrophobicContact CB-CG2 4.02Å; K80-V83 WeakPolarHBondContact O-CA 3.17Å; K80-V83 WeakPolarHBondContact O-CB 3.5Å; K80-V83 PolarHBondContact O-N 3.22Å; L81-V83 PolarHBondContact O-N 3.43Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-V85 PolarHBondContact O-N 2.66Å; V83-K86 PolarHBondContact O-N 3.21Å; V83-A87 PolarHBondContact O-N 3.02Å
84R89.8Confident85.5Confident34 Ų3442.5 Ų42.513%0.12822%0.215CC..Hα-helixtrans-57.6-45.9172.8-70.6170.780.8-143.38111Y51 T79 K80 L81 A87 I88 D114 L117 E499Y51-R84 PolarHBondContact OH-NH1 3.06Å; T79-R84 HydrophobicContact CG2-CG 4.01Å; T79-R84 WeakPolarHBondContact O-CD 3.42Å; K80-R84 PolarHBondContact O-N 2.74Å; L81-R84 PolarHBondContact O-N 3.36Å; R84-A87 PolarHBondContact O-N 3.46Å; R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 3.4Å; R84-D114 IonicContact CZ-OD2 2.89Å; R84-D114 IonicContact NH1-OD2 2.72Å; R84-D114 PolarHBondContact NH1-OD2 3.41Å; R84-D114 IonicContact NH2-OD2 3.73Å; R84-L117 HydrophobicContact CB-CD2 3.88Å; R84-E499 IonicContact CZ-OE2 2.69Å; R84-E499 IonicContact NH2-OE2 3.19Å; R84-E499 PolarHBondContact NH2-OE2 3.26Å
85V89.6Confident86.4Confident0 Ų042.9 Ų42.90%022%0.218CC..Hα-helixtrans-62.7-44.8176.3160.50000112.8L81 V83 A87 I88 I89 L117 E120 F121 H124L81-V85 WeakPolarHBondContact O-CB 3.42Å; L81-V85 WeakPolarHBondContact O-CG2 3.28Å; L81-V85 PolarHBondContact O-N 2.95Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-V85 PolarHBondContact O-N 2.66Å; V85-A87 PolarHBondContact O-N 2.7Å; V85-I88 WeakPolarHBondContact O-CB 3.39Å; V85-I88 PolarHBondContact O-N 3.17Å; V85-I89 HydrophobicContact CG1-CD1 3.73Å; V85-I89 HydrophobicContact CG1-CG1 4.44Å; V85-I89 WeakPolarHBondContact O-CG1 3.34Å; V85-I89 PolarHBondContact O-N 3.37Å; V85-L117 HydrophobicContact CG2-CB 4.47Å; V85-L117 HydrophobicContact CG2-CD2 3.84Å; V85-E120 HydrophobicContact CB-CB 4.34Å; V85-E120 HydrophobicContact CG2-CB 3.77Å; V85-F121 HydrophobicContact CG1-CB 4.32Å; V85-F121 HydrophobicContact CG1-CD2 4.2Å; V85-F121 HydrophobicContact CG2-CB 4.11Å; V85-H124 HydrophobicContact CG1-CB 4.03Å
86K89.6Confident86.9Confident111 Ų11148.7 Ų48.748%0.48325%0.249SC..Hα-helixtrans-61.7-43.8177.1-77.3168.5-177172.40111.7V82 V83 I88 I89 E90V82-K86 HydrophobicContact CG1-CD 4.11Å; V82-K86 WeakPolarHBondContact O-CB 3.36Å; V82-K86 WeakPolarHBondContact O-CD 3.49Å; V82-K86 VanDerWaalsContact O-CG 3.24Å; V82-K86 WeakPolarHBondContact O-CG 3.24Å; V82-K86 PolarHBondContact O-N 2.88Å; V83-K86 PolarHBondContact O-N 3.21Å; K86-I88 VanDerWaalsContact C-N 3.32Å; K86-I88 PolarHBondContact O-N 2.59Å; K86-I89 PolarHBondContact O-N 2.82Å; K86-E90 VanDerWaalsContact O-CB 3.32Å; K86-E90 WeakPolarHBondContact O-CB 3.43Å; K86-E90 PolarHBondContact O-N 2.89Å
87A88Confident87.2Confident43 Ų4350.9 Ų50.936%0.35527%0.272SS..Hα-helixtrans-63-35.8175.400000112.7V83 R84 V85 K91V83-A87 PolarHBondContact O-N 3.02Å; R84-A87 PolarHBondContact O-N 3.46Å; V85-A87 PolarHBondContact O-N 2.7Å; A87-K91 WeakPolarHBondContact O-CB 3.44Å; A87-K91 PolarHBondContact O-N 2.69Å
88I89.9Confident87.5Confident30 Ų3060.8 Ų60.815%0.15431%0.309CS..Hα-helixtrans-63.7-49171.8-69.7162.6000110.5R84 V85 K86 K91 L92 L107 I110 F121R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.44Å; R84-I88 PolarHBondContact O-N 3.4Å; V85-I88 WeakPolarHBondContact O-CB 3.39Å; V85-I88 PolarHBondContact O-N 3.17Å; K86-I88 VanDerWaalsContact C-N 3.32Å; K86-I88 PolarHBondContact O-N 2.59Å; I88-K91 PolarHBondContact O-N 2.89Å; I88-L92 HydrophobicContact CG2-CD1 3.85Å; I88-L92 HydrophobicContact CG2-CG 4.37Å; I88-L92 WeakPolarHBondContact O-CB 3.2Å; I88-L92 VanDerWaalsContact O-CG 3.23Å; I88-L92 WeakPolarHBondContact O-CG 3.28Å; I88-L92 PolarHBondContact O-N 3.29Å; I88-L107 HydrophobicContact CG2-CD1 3.75Å; I88-I110 HydrophobicContact CD1-CG2 4.05Å; I88-F121 HydrophobicContact CG2-CE2 4.09Å
89I90.8Very high87.7Confident23 Ų2364.8 Ų64.812%0.11833%0.328CS..Hα-helixtrans-63.8-46.6-178.2-68.6169000111.4V85 K86 L92 L93 F121 H124 C129V85-I89 HydrophobicContact CG1-CD1 3.73Å; V85-I89 HydrophobicContact CG1-CG1 4.44Å; V85-I89 WeakPolarHBondContact O-CG1 3.34Å; V85-I89 PolarHBondContact O-N 3.37Å; K86-I89 PolarHBondContact O-N 2.82Å; I89-L92 PolarHBondContact O-N 3.16Å; I89-L93 HydrophobicContact CG2-CD1 4.02Å; I89-L93 WeakPolarHBondContact O-CG 3.32Å; I89-L93 PolarHBondContact O-N 3.31Å; I89-L93 VanDerWaalsContact O-N 3.07Å; I89-F121 HydrophobicContact CD1-CD2 4.33Å; I89-F121 HydrophobicContact CD1-CE2 4.36Å; I89-F121 HydrophobicContact CG1-CD2 4.13Å; I89-F121 HydrophobicContact CG1-CE2 3.77Å; I89-H124 HydrophobicContact CD1-CB 4.38Å; I89-H124 WeakPolarHBondContact CD1-O 3.42Å; I89-C129 HydrophobicContact CG2-CB 4.1Å
90E89.7Confident88Confident126 Ų12664.3 Ų64.359%0.58933%0.325SS*.Hα-helixtrans-57.6-50.2176-173.3169.2-153.100110.6K86 L92 L93 D94K86-E90 VanDerWaalsContact O-CB 3.32Å; K86-E90 WeakPolarHBondContact O-CB 3.43Å; K86-E90 PolarHBondContact O-N 2.89Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 3.41Å; E90-L93 PolarHBondContact O-N 2.95Å; E90-L93 VanDerWaalsContact O-N 3.1Å; E90-D94 PolarHBondContact O-N 3.42Å
91K89Confident88Confident97 Ų9764.1 Ų64.142%0.42232%0.324SS..Hα-helixtrans-60.6-35.8176.3-171.9169.3-170.8168.60113.4A87 I88 L93 A95 E99 S103A87-K91 WeakPolarHBondContact O-CB 3.44Å; A87-K91 PolarHBondContact O-N 2.69Å; I88-K91 PolarHBondContact O-N 2.89Å; K91-L93 VanDerWaalsContact C-N 3.34Å; K91-A95 HydrophobicContact CG-CB 4.48Å; K91-A95 WeakPolarHBondContact O-CB 3.32Å; K91-A95 PolarHBondContact O-N 3.07Å; K91-E99 WeakPolarHBondContact CE-OE1 3.17Å; K91-E99 IonicContact NZ-OE1 2.75Å; K91-S103 WeakPolarHBondContact CE-OG 3.11Å
92L90.8Very high88.1Confident5 Ų572.2 Ų72.23%0.02635%0.353CS..Hα-helixtrans-74.4-22.1177.6-71.8176.5000113.7I88 I89 E90 L100 L104 L107 L130 V133I88-L92 HydrophobicContact CG2-CD1 3.85Å; I88-L92 HydrophobicContact CG2-CG 4.37Å; I88-L92 WeakPolarHBondContact O-CB 3.2Å; I88-L92 VanDerWaalsContact O-CG 3.23Å; I88-L92 WeakPolarHBondContact O-CG 3.28Å; I88-L92 PolarHBondContact O-N 3.29Å; I89-L92 PolarHBondContact O-N 3.16Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 3.41Å; L92-L100 HydrophobicContact CD2-CD1 4.22Å; L92-L104 HydrophobicContact CD1-CD2 4.35Å; L92-L104 HydrophobicContact CD2-CD2 3.49Å; L92-L104 VanDerWaalsContact CD2-CD2 3.49Å; L92-L104 HydrophobicContact CD2-CG 3.7Å; L92-L107 HydrophobicContact CD1-CD1 4.47Å; L92-L107 HydrophobicContact CD1-CD2 3.88Å; L92-L130 HydrophobicContact CD1-CD2 4.39Å; L92-V133 WeakPolarHBondContact O-CG2 3.46Å
93L88.5Confident88.1Confident85 Ų8571.1 Ų71.145%0.44535%0.347SS..Hα-helixtrans-86-37.3175.9-68.2171.3000112.4I89 E90 K91 V133I89-L93 HydrophobicContact CG2-CD1 4.02Å; I89-L93 WeakPolarHBondContact O-CG 3.32Å; I89-L93 PolarHBondContact O-N 3.31Å; I89-L93 VanDerWaalsContact O-N 3.07Å; E90-L93 PolarHBondContact O-N 2.95Å; E90-L93 VanDerWaalsContact O-N 3.1Å; K91-L93 VanDerWaalsContact C-N 3.34Å; L93-V133 HydrophobicContact CD2-CG2 4.33Å
94D88.4Confident88.1Confident118 Ų11869.1 Ų69.163%0.63134%0.335SS*.Hα-helixtrans-92.1-30.8-176-70.3-20.8000113.9E90 N96E90-D94 PolarHBondContact O-N 3.42Å; D94-N96 PolarHBondContact O-ND2 3.28Å
95A87.9Confident88Confident8 Ų873.5 Ų73.57%0.06636%0.355CS..  trans-66.7142.7-179.100000112K91 E99 L100K91-A95 HydrophobicContact CG-CB 4.48Å; K91-A95 WeakPolarHBondContact O-CB 3.32Å; K91-A95 PolarHBondContact O-N 3.07Å; A95-E99 HydrophobicContact CB-CB 4.24Å; A95-E99 HydrophobicContact CB-CG 3.95Å; A95-L100 HydrophobicContact CB-CB 4.28Å
96N84.5Confident87.9Confident125 Ų12576 Ų7667%0.66837%0.373SS*.  trans-132155-176.5-86-88000112.5D94 R98 E99D94-N96 PolarHBondContact O-ND2 3.28Å; N96-R98 PolarHBondContact O-N 3.07Å; N96-E99 PolarHBondContact O-N 3.39Å; N96-E99 VanDerWaalsContact O-N 3.14Å
97G84.2Confident87.9Confident46 Ų4670.8 Ų70.847%0.47435%0.351SS..Hα-helixtrans54.9-116.6173.200000114.6E99 K101G97-E99 VanDerWaalsContact C-N 3.35Å; G97-K101 PolarHBondContact O-N 3.11Å
98R86Confident88Confident211 Ų21170.7 Ų70.780%0.79634%0.342SS*.Hα-helixtrans-69-28.4-178.1-78.5-171.1-74.5-176.4-3.4113.5N96 R102N96-R98 PolarHBondContact O-N 3.07Å; R98-R102 WeakPolarHBondContact O-CG 3.45Å; R98-R102 PolarHBondContact O-N 3.38Å
99E85.9Confident87.9Confident101 Ų10173.1 Ų73.147%0.47235%0.353SS..Hα-helixtrans-76.5-42178.8-173.4172.7-170.400111.7K91 A95 N96 G97 K101 R102 S103K91-E99 WeakPolarHBondContact CE-OE1 3.17Å; K91-E99 IonicContact NZ-OE1 2.75Å; A95-E99 HydrophobicContact CB-CB 4.24Å; A95-E99 HydrophobicContact CB-CG 3.95Å; N96-E99 PolarHBondContact O-N 3.39Å; N96-E99 VanDerWaalsContact O-N 3.14Å; G97-E99 VanDerWaalsContact C-N 3.35Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3Å; E99-R102 PolarHBondContact O-N 2.88Å; E99-S103 WeakPolarHBondContact O-CB 3.42Å; E99-S103 PolarHBondContact O-N 2.85Å; E99-S103 PolarHBondContact O-OG 3.34Å
100L88.5Confident87.8Confident13 Ų1374.7 Ų74.77%0.06836%0.361CS..Hα-helixtrans-58.8-45.5174-175.858.2000111.2L92 A95 R102 S103 L104 V133 I141L92-L100 HydrophobicContact CD2-CD1 4.22Å; A95-L100 HydrophobicContact CB-CB 4.28Å; L100-R102 PolarHBondContact O-N 2.68Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-L104 HydrophobicContact CD1-CD1 3.78Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 WeakPolarHBondContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CG 3.15Å; L100-L104 PolarHBondContact O-N 2.93Å; L100-V133 HydrophobicContact CD1-CG1 4.28Å; L100-V133 HydrophobicContact CD2-CG1 4.1Å; L100-I141 HydrophobicContact CD2-CD1 4.2Å
101K86.6Confident87.7Confident67 Ų6768.7 Ų68.729%0.29133%0.333SS..Hα-helixtrans-60.1-40.7176-76.6-177.1174.7-176.30112.8G97 E99 F105 D138 I141G97-K101 PolarHBondContact O-N 3.11Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3Å; K101-F105 VanDerWaalsContact O-CB 3.26Å; K101-F105 WeakPolarHBondContact O-CB 3.44Å; K101-F105 PolarHBondContact O-N 3.43Å; K101-D138 WeakPolarHBondContact CE-OD2 3.23Å; K101-D138 IonicContact NZ-OD1 3.63Å; K101-D138 IonicContact NZ-OD2 2.7Å; K101-D138 PolarHBondContact NZ-OD2 3.47Å; K101-I141 HydrophobicContact CD-CD1 4.49Å; K101-I141 HydrophobicContact CD-CG1 4.25Å; K101-I141 HydrophobicContact CG-CD1 4Å; K101-I141 HydrophobicContact CG-CG1 3.57Å
102R87.5Confident87.6Confident186 Ų18668.1 Ų68.170%0.70233%0.332SS*.Hα-helixtrans-65.9-45.1174.3-75.5171.7174.3170.4-4.3112.3R98 E99 L100 L104 F105 S106R98-R102 WeakPolarHBondContact O-CG 3.45Å; R98-R102 PolarHBondContact O-N 3.38Å; E99-R102 PolarHBondContact O-N 2.88Å; L100-R102 PolarHBondContact O-N 2.68Å; R102-L104 PolarHBondContact O-N 3.37Å; R102-F105 PolarHBondContact O-N 2.85Å; R102-S106 PolarHBondContact O-N 2.87Å; R102-S106 VanDerWaalsContact O-N 3.11Å; R102-S106 PolarHBondContact O-OG 3.45Å
103S88.1Confident87.3Confident20 Ų2073.1 Ų73.114%0.1436%0.358CS..Hα-helixtrans-64.8-41.2-177.3-540000111.7K91 E99 L100 L107K91-S103 WeakPolarHBondContact CE-OG 3.11Å; E99-S103 WeakPolarHBondContact O-CB 3.42Å; E99-S103 PolarHBondContact O-N 2.85Å; E99-S103 PolarHBondContact O-OG 3.34Å; L100-S103 PolarHBondContact O-N 2.87Å; S103-L107 PolarHBondContact O-N 3.39Å
104L87.8Confident87.1Confident2 Ų269.4 Ų69.41%0.0134%0.339CS..Hα-helixtrans-74-33.8176.4-72.8169.5000113.7L92 L100 R102 S106 L107 L130 V133 I141 I145L92-L104 HydrophobicContact CD1-CD2 4.35Å; L92-L104 HydrophobicContact CD2-CD2 3.49Å; L92-L104 VanDerWaalsContact CD2-CD2 3.49Å; L92-L104 HydrophobicContact CD2-CG 3.7Å; L100-L104 HydrophobicContact CD1-CD1 3.78Å; L100-L104 HydrophobicContact CD1-CG 4.16Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 WeakPolarHBondContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CG 3.15Å; L100-L104 PolarHBondContact O-N 2.93Å; R102-L104 PolarHBondContact O-N 3.37Å; L104-S106 VanDerWaalsContact C-N 3.35Å; L104-L107 HydrophobicContact CD2-CD2 3.98Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 2.62Å; L104-L130 HydrophobicContact CD2-CD2 4.44Å; L104-V133 HydrophobicContact CD1-CG1 4.48Å; L104-I141 HydrophobicContact CD1-CG2 3.6Å; L104-I145 HydrophobicContact CD1-CD1 4.06Å; L104-I145 HydrophobicContact CD1-CG1 3.87Å; L104-I145 HydrophobicContact CD2-CD1 4.49Å; L104-I145 HydrophobicContact CD2-CG1 3.69Å; L104-I145 HydrophobicContact CG-CG1 4.39Å
105F86.6Confident86.8Confident126 Ų12668.6 Ų68.655%0.55333%0.33SS*.Hα-helixtrans-59.5-46.6172.1-176.9-84.4000111.1K101 R102 L107 Y144K101-F105 VanDerWaalsContact O-CB 3.26Å; K101-F105 WeakPolarHBondContact O-CB 3.44Å; K101-F105 PolarHBondContact O-N 3.43Å; R102-F105 PolarHBondContact O-N 2.85Å; F105-L107 VanDerWaalsContact C-N 3.29Å; F105-L107 PolarHBondContact O-N 3.15Å; F105-Y144 HydrophobicContact CD2-CD1 4.2Å; F105-Y144 AromaticContact CD2-CE1 3.63Å; F105-Y144 HydrophobicContact CD2-CE1 3.63Å; F105-Y144 AromaticContact CD2-CZ 3.99Å; F105-Y144 HydrophobicContact CE2-CE1 4.33Å
106S87.8Confident86.6Confident53 Ų5368.9 Ų68.937%0.37133%0.33SS..Hα-helixtrans-67.9-23.4176.2-65.10000114.1R102 L104 K108 Q109 I110R102-S106 PolarHBondContact O-N 2.87Å; R102-S106 VanDerWaalsContact O-N 3.11Å; R102-S106 PolarHBondContact O-OG 3.45Å; L104-S106 VanDerWaalsContact C-N 3.35Å; S106-K108 VanDerWaalsContact C-N 3.33Å; S106-K108 PolarHBondContact O-N 2.94Å; S106-Q109 WeakPolarHBondContact O-CB 3.49Å; S106-Q109 PolarHBondContact O-N 3.35Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 2.81Å
107L89.7Confident86.8Confident2 Ų263 Ų631%0.0130%0.299CS..Hα-helixtrans-62.5-36.3-169.8-172.265.3000113.4I88 L92 S103 L104 F105 Q109 I110 F111 L130 A148I88-L107 HydrophobicContact CG2-CD1 3.75Å; L92-L107 HydrophobicContact CD1-CD1 4.47Å; L92-L107 HydrophobicContact CD1-CD2 3.88Å; S103-L107 PolarHBondContact O-N 3.39Å; L104-L107 HydrophobicContact CD2-CD2 3.98Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 2.62Å; F105-L107 VanDerWaalsContact C-N 3.29Å; F105-L107 PolarHBondContact O-N 3.15Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 3.42Å; L107-I110 PolarHBondContact O-N 3.34Å; L107-F111 HydrophobicContact CD1-CD2 4.29Å; L107-F111 HydrophobicContact CD1-CE2 3.59Å; L107-F111 HydrophobicContact CD1-CZ 3.81Å; L107-F111 HydrophobicContact CD2-CE2 4.07Å; L107-F111 HydrophobicContact CG-CD2 4.1Å; L107-F111 HydrophobicContact CG-CE2 3.57Å; L107-F111 HydrophobicContact CG-CZ 4.29Å; L107-F111 VanDerWaalsContact O-CD2 3.28Å; L107-F111 WeakPolarHBondContact O-CD2 3.44Å; L107-F111 PolarHBondContact O-N 3.17Å; L107-L130 HydrophobicContact CD2-CD2 3.85Å; L107-A148 HydrophobicContact CB-CB 4.21Å; L107-A148 HydrophobicContact CD2-CB 3.87Å; L107-A148 HydrophobicContact CG-CB 3.99Å
108K89.9Confident87.1Confident40 Ų4060.8 Ų60.817%0.17428%0.276CS..Hα-helixtrans-60.9-39.8173.2178.6-93-178.9-176.10111.6S106 Q112 Q151S106-K108 VanDerWaalsContact C-N 3.33Å; S106-K108 PolarHBondContact O-N 2.94Å; K108-Q112 PolarHBondContact O-N 2.65Å; K108-Q151 HydrophobicContact CG-CB 4.1Å; K108-Q151 HydrophobicContact CG-CG 4.44Å
109Q87.8Confident87.1Confident81 Ų8152.8 Ų52.838%0.37925%0.248SC..Hα-helixtrans-71.9-41.6179.9-163.863.139.500111.3S106 L107 F111 Q112 D113S106-Q109 WeakPolarHBondContact O-CB 3.49Å; S106-Q109 PolarHBondContact O-N 3.35Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 3.42Å; Q109-F111 VanDerWaalsContact C-N 3.3Å; Q109-F111 PolarHBondContact O-N 2.88Å; Q109-Q112 CarbonylContact O-C 3.59Å; Q109-Q112 WeakPolarHBondContact O-CA 3.35Å; Q109-Q112 WeakPolarHBondContact O-CB 3.46Å; Q109-Q112 PolarHBondContact O-N 3.25Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.47Å; Q109-D113 PolarHBondContact NE2-OD1 3.27Å; Q109-D113 VanDerWaalsContact O-CG 3.29Å; Q109-D113 PolarHBondContact O-N 2.86Å
110I88Confident87.2Confident56 Ų5649.2 Ų49.229%0.28723%0.231SC..Hα-helixtrans-56.2-42.2177.7-68167.5000112I88 S106 L107 Q112 D114 L117I88-I110 HydrophobicContact CD1-CG2 4.05Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 2.81Å; L107-I110 PolarHBondContact O-N 3.34Å; I110-Q112 VanDerWaalsContact C-N 3.32Å; I110-D114 PolarHBondContact O-N 2.82Å; I110-D114 VanDerWaalsContact O-N 3.09Å; I110-L117 HydrophobicContact CG2-CD1 3.5Å; I110-L117 VanDerWaalsContact CG2-CD1 3.5Å
111F89.2Confident87.4Confident0 Ų048.6 Ų48.60%023%0.228CC..Hα-helixtrans-76.9-14.9175.5-65-48000114.5L107 Q109 L117 V118 F121 Q151 I152 Y155L107-F111 HydrophobicContact CD1-CD2 4.29Å; L107-F111 HydrophobicContact CD1-CE2 3.59Å; L107-F111 HydrophobicContact CD1-CZ 3.81Å; L107-F111 HydrophobicContact CD2-CE2 4.07Å; L107-F111 HydrophobicContact CG-CD2 4.1Å; L107-F111 HydrophobicContact CG-CE2 3.57Å; L107-F111 HydrophobicContact CG-CZ 4.29Å; L107-F111 VanDerWaalsContact O-CD2 3.28Å; L107-F111 WeakPolarHBondContact O-CD2 3.44Å; L107-F111 PolarHBondContact O-N 3.17Å; Q109-F111 VanDerWaalsContact C-N 3.3Å; Q109-F111 PolarHBondContact O-N 2.88Å; F111-L117 HydrophobicContact CD1-CB 4.16Å; F111-L117 HydrophobicContact CE1-CB 4.26Å; F111-V118 HydrophobicContact CB-CG2 3.91Å; F111-V118 HydrophobicContact CD1-CG2 3.74Å; F111-V118 HydrophobicContact CG-CG2 4.06Å; F111-F121 HydrophobicContact CE1-CB 3.84Å; F111-F121 HydrophobicContact CE1-CD1 4.3Å; F111-F121 HydrophobicContact CE1-CD2 4.2Å; F111-F121 AromaticContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE2-CD1 4.35Å; F111-F121 HydrophobicContact CE2-CE1 4.37Å; F111-F121 HydrophobicContact CZ-CB 3.99Å; F111-F121 AromaticContact CZ-CD1 3.61Å; F111-F121 HydrophobicContact CZ-CD1 3.61Å; F111-F121 AromaticContact CZ-CD2 3.7Å; F111-F121 HydrophobicContact CZ-CD2 3.7Å; F111-F121 AromaticContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE2 4.01Å; F111-F121 AromaticContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CG 3.48Å; F111-F121 VanDerWaalsContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CZ 4.12Å; F111-Q151 HydrophobicContact CB-CG 4.05Å; F111-I152 HydrophobicContact CD2-CD1 4.01Å; F111-I152 HydrophobicContact CD2-CG1 3.8Å; F111-I152 HydrophobicContact CE2-CD1 3.58Å; F111-I152 HydrophobicContact CE2-CG1 3.86Å; F111-I152 HydrophobicContact CG-CG1 4.31Å; F111-I152 HydrophobicContact CZ-CD1 4.14Å; F111-I152 HydrophobicContact CZ-CG1 4.44Å; F111-Y155 WeakPolarHBondContact O-CE2 3.46Å; F111-Y155 PolarHBondContact O-OH 2.82Å; F111-Y155 VanDerWaalsContact O-OH 3.07Å
112Q86.6Confident87.6Confident86 Ų8646.8 Ų46.840%0.40222%0.222SC..Hα-helixtrans-85.4-40.5174.2-175.7175.1-14.100111.2K108 Q109 I110 Q151K108-Q112 PolarHBondContact O-N 2.65Å; Q109-Q112 CarbonylContact O-C 3.59Å; Q109-Q112 WeakPolarHBondContact O-CA 3.35Å; Q109-Q112 WeakPolarHBondContact O-CB 3.46Å; Q109-Q112 PolarHBondContact O-N 3.25Å; I110-Q112 VanDerWaalsContact C-N 3.32Å; Q112-Q151 HydrophobicContact CB-CG 4.46Å
113D83.4Confident87.6Confident109 Ų10941.8 Ų41.858%0.58321%0.212SC*.Hα-helixtrans-75.8-35.9-179.6-60.2-16.9000111.9Q109Q109-D113 WeakPolarHBondContact CG-OD2 3.47Å; Q109-D113 PolarHBondContact NE2-OD1 3.27Å; Q109-D113 VanDerWaalsContact O-CG 3.29Å; Q109-D113 PolarHBondContact O-N 2.86Å
114D83.9Confident87.7Confident8 Ų844 Ų444%0.04322%0.22CC..  trans-130.283.4179.3-163.4-37.1000111.4Y51 R78 R84 I110 D116 L117Y51-D114 PolarHBondContact OH-OD2 3.47Å; Y51-D114 VanDerWaalsContact OH-OD2 3.1Å; R78-D114 IonicContact NH2-OD2 3.66Å; R78-D114 PolarHBondContact NH2-OD2 2.94Å; R84-D114 IonicContact CZ-OD2 2.89Å; R84-D114 IonicContact NH1-OD2 2.72Å; R84-D114 PolarHBondContact NH1-OD2 3.41Å; R84-D114 IonicContact NH2-OD2 3.73Å; I110-D114 PolarHBondContact O-N 2.82Å; I110-D114 VanDerWaalsContact O-N 3.09Å; D114-D116 PolarHBondContact O-N 2.91Å; D114-D116 VanDerWaalsContact O-N 3.16Å; D114-D116 PolarHBondContact OD1-N 3.28Å; D114-L117 HydrophobicContact CB-CD1 3.85Å; D114-L117 HydrophobicContact CB-CG 4.1Å; D114-L117 WeakPolarHBondContact O-CB 3.46Å; D114-L117 PolarHBondContact O-N 2.8Å; D114-L117 VanDerWaalsContact O-N 3.12Å
115K83.8Confident87.8Confident100 Ų10047 Ų4744%0.43524%0.242SC..THydrogen-bonded Turntrans-55.7-25.7178.667.2-159-170.9-171.10114.2L117 V118 Y155 G1315K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 2.9Å; K115-V118 WeakPolarHBondContact O-CB 3.26Å; K115-V118 PolarHBondContact O-N 2.92Å; K115-Y155 HydrophobicContact CB-CD1 4.29Å; K115-Y155 HydrophobicContact CB-CE1 3.66Å; K115-G1315 WeakPolarHBondContact CB-O 3.4Å; K115-G1315 WeakPolarHBondContact CD-O 3.23Å
116D82.4Confident88.1Confident15 Ų1541 Ų418%0.0822%0.215CC..Hα-helixtrans-75.6-18.2-179.7-87.7-58.8000113.3Y51 L81 D114 V118 R1314Y51-D116 HydrophobicContact CD2-CB 3.85Å; Y51-D116 HydrophobicContact CE2-CB 3.83Å; L81-D116 HydrophobicContact CD1-CB 3.8Å; L81-D116 HydrophobicContact CD2-CB 4.23Å; D114-D116 PolarHBondContact O-N 2.91Å; D114-D116 VanDerWaalsContact O-N 3.16Å; D114-D116 PolarHBondContact OD1-N 3.28Å; D116-V118 VanDerWaalsContact C-N 3.27Å; D116-V118 PolarHBondContact O-N 2.97Å; D116-R1314 PolarHBondContact O-NH2 2.81Å; D116-R1314 WeakPolarHBondContact OD1-CD 3.38Å; D116-R1314 VanDerWaalsContact OD1-CG 3.28Å; D116-R1314 WeakPolarHBondContact OD1-CG 3.33Å; D116-R1314 IonicContact OD1-CZ 2.75Å; D116-R1314 IonicContact OD1-NE 3.6Å; D116-R1314 PolarHBondContact OD1-NE 3.37Å
117L88.4Confident88.3Confident1 Ų138.6 Ų38.61%0.00520%0.198CC..Hα-helixtrans-66.9-26.9170.2-70.8172000112.6L81 R84 V85 I110 F111 D114 K115 H119 E120 F121L81-L117 HydrophobicContact CB-CD2 4.35Å; L81-L117 HydrophobicContact CD2-CD2 3.46Å; L81-L117 VanDerWaalsContact CD2-CD2 3.46Å; L81-L117 HydrophobicContact CD2-CG 3.79Å; R84-L117 HydrophobicContact CB-CD2 3.88Å; V85-L117 HydrophobicContact CG2-CB 4.47Å; V85-L117 HydrophobicContact CG2-CD2 3.84Å; I110-L117 HydrophobicContact CG2-CD1 3.5Å; I110-L117 VanDerWaalsContact CG2-CD1 3.5Å; F111-L117 HydrophobicContact CD1-CB 4.16Å; F111-L117 HydrophobicContact CE1-CB 4.26Å; D114-L117 HydrophobicContact CB-CD1 3.85Å; D114-L117 HydrophobicContact CB-CG 4.1Å; D114-L117 WeakPolarHBondContact O-CB 3.46Å; D114-L117 PolarHBondContact O-N 2.8Å; D114-L117 VanDerWaalsContact O-N 3.12Å; K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 2.9Å; L117-H119 PolarHBondContact O-N 2.7Å; L117-E120 PolarHBondContact O-N 3.32Å; L117-F121 VanDerWaalsContact O-CB 3.28Å; L117-F121 WeakPolarHBondContact O-CB 3.47Å; L117-F121 PolarHBondContact O-N 3.36Å
118V90.4Very high88.4Confident0 Ų041.3 Ų41.30%021%0.213CC..Hα-helixtrans-62.6-46.5-173.9179.60000110.8F111 K115 D116 F121 V122 I152 Y155F111-V118 HydrophobicContact CB-CG2 3.91Å; F111-V118 HydrophobicContact CD1-CG2 3.74Å; F111-V118 HydrophobicContact CG-CG2 4.06Å; K115-V118 WeakPolarHBondContact O-CB 3.26Å; K115-V118 PolarHBondContact O-N 2.92Å; D116-V118 VanDerWaalsContact C-N 3.27Å; D116-V118 PolarHBondContact O-N 2.97Å; V118-F121 PolarHBondContact O-N 2.91Å; V118-V122 WeakPolarHBondContact O-CG2 3.45Å; V118-V122 PolarHBondContact O-N 3.37Å; V118-I152 HydrophobicContact CG1-CB 4.42Å; V118-I152 HydrophobicContact CG1-CG1 4.35Å; V118-I152 HydrophobicContact CG1-CG2 4.05Å; V118-Y155 HydrophobicContact CB-CD2 4.41Å; V118-Y155 HydrophobicContact CG1-CD2 4.23Å; V118-Y155 HydrophobicContact CG2-CD2 3.76Å; V118-Y155 HydrophobicContact CG2-CE2 3.97Å; V118-Y155 HydrophobicContact CG2-CG 4.42Å
119H86.5Confident88.6Confident43 Ų4339.7 Ų39.720%0.19921%0.207CC..Hα-helixtrans-58.4-51.1176.5-174.197.6000111.7L117 F121 V122 T123 D157 R1314L117-H119 PolarHBondContact O-N 2.7Å; H119-F121 VanDerWaalsContact C-N 3.31Å; H119-F121 PolarHBondContact O-N 2.98Å; H119-V122 WeakPolarHBondContact O-CB 3.42Å; H119-V122 PolarHBondContact O-N 3.02Å; H119-T123 PolarHBondContact O-N 3.44Å; H119-T123 PolarHBondContact O-OG1 3.11Å; H119-D157 HydrophobicContact CB-CB 3.97Å; H119-D157 IonicContact CE1-OD1 3.22Å; H119-D157 IonicContact CG-OD1 3.96Å; H119-D157 IonicContact ND1-OD1 2.87Å; H119-D157 PolarHBondContact ND1-OD1 2.78Å; H119-R1314 HydrophobicContact CB-CG 4.36Å
120E88.6Confident88.9Confident26 Ų2636.1 Ų36.112%0.12119%0.19CC..Hα-helixtrans-64.6-34.8179.8-59.8-49.5139.400112.5L81 V82 V85 L117 T123 H124 R1314L81-E120 HydrophobicContact CB-CB 4.49Å; L81-E120 HydrophobicContact CB-CG 3.6Å; L81-E120 HydrophobicContact CD1-CG 4.42Å; V82-E120 HydrophobicContact CG2-CG 4.44Å; V82-E120 WeakPolarHBondContact CG2-OE2 3.41Å; V85-E120 HydrophobicContact CB-CB 4.34Å; V85-E120 HydrophobicContact CG2-CB 3.77Å; L117-E120 PolarHBondContact O-N 3.32Å; E120-T123 PolarHBondContact O-N 3.12Å; E120-H124 WeakPolarHBondContact O-CB 3.33Å; E120-H124 PolarHBondContact O-N 2.87Å; E120-R1314 IonicContact OE1-CZ 3.02Å; E120-R1314 VanDerWaalsContact OE1-CZ 3.23Å; E120-R1314 IonicContact OE1-NH1 2.63Å; E120-R1314 PolarHBondContact OE1-NH1 3.11Å; E120-R1314 IonicContact OE1-NH2 3.68Å; E120-R1314 PolarHBondContact OE1-NH2 2.8Å
121F92.8Very high89.2Confident0 Ų034.4 Ų34.40%018%0.182CC..Hα-helixtrans-67.6-36.2178.3-172.5-96.4000112.1V85 I88 I89 F111 L117 V118 H119 G126 L127 L130 I152V85-F121 HydrophobicContact CG1-CB 4.32Å; V85-F121 HydrophobicContact CG1-CD2 4.2Å; V85-F121 HydrophobicContact CG2-CB 4.11Å; I88-F121 HydrophobicContact CG2-CE2 4.09Å; I89-F121 HydrophobicContact CD1-CD2 4.33Å; I89-F121 HydrophobicContact CD1-CE2 4.36Å; I89-F121 HydrophobicContact CG1-CD2 4.13Å; I89-F121 HydrophobicContact CG1-CE2 3.77Å; F111-F121 HydrophobicContact CE1-CB 3.84Å; F111-F121 HydrophobicContact CE1-CD1 4.3Å; F111-F121 HydrophobicContact CE1-CD2 4.2Å; F111-F121 AromaticContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE1-CG 3.87Å; F111-F121 HydrophobicContact CE2-CD1 4.35Å; F111-F121 HydrophobicContact CE2-CE1 4.37Å; F111-F121 HydrophobicContact CZ-CB 3.99Å; F111-F121 AromaticContact CZ-CD1 3.61Å; F111-F121 HydrophobicContact CZ-CD1 3.61Å; F111-F121 AromaticContact CZ-CD2 3.7Å; F111-F121 HydrophobicContact CZ-CD2 3.7Å; F111-F121 AromaticContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE1 3.93Å; F111-F121 HydrophobicContact CZ-CE2 4.01Å; F111-F121 AromaticContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CG 3.48Å; F111-F121 VanDerWaalsContact CZ-CG 3.48Å; F111-F121 HydrophobicContact CZ-CZ 4.12Å; L117-F121 VanDerWaalsContact O-CB 3.28Å; L117-F121 WeakPolarHBondContact O-CB 3.47Å; L117-F121 PolarHBondContact O-N 3.36Å; V118-F121 PolarHBondContact O-N 2.91Å; H119-F121 VanDerWaalsContact C-N 3.31Å; H119-F121 PolarHBondContact O-N 2.98Å; F121-G126 WeakPolarHBondContact CE1-O 3.28Å; F121-G126 VanDerWaalsContact CZ-C 3.48Å; F121-G126 VanDerWaalsContact CZ-CA 3.47Å; F121-G126 VanDerWaalsContact CZ-O 3.31Å; F121-G126 WeakPolarHBondContact CZ-O 3.33Å; F121-G126 VanDerWaalsContact O-CA 3.24Å; F121-G126 WeakPolarHBondContact O-CA 3.48Å; F121-G126 PolarHBondContact O-N 3.42Å; F121-L127 HydrophobicContact CD1-CD2 4.41Å; F121-L127 HydrophobicContact CE1-CD2 4.37Å; F121-L130 HydrophobicContact CE1-CD1 3.86Å; F121-L130 HydrophobicContact CE1-CG 3.99Å; F121-L130 HydrophobicContact CZ-CD1 4.25Å; F121-L130 HydrophobicContact CZ-CD2 4.17Å; F121-L130 HydrophobicContact CZ-CG 3.95Å; F121-I152 HydrophobicContact CD1-CD1 3.97Å; F121-I152 HydrophobicContact CE1-CD1 3.93Å
122V90.5Very high89.3Confident29 Ų2937.3 Ų37.318%0.17620%0.198CC..Hα-helixtrans-61.4-56.7166.5171.60000110.1V118 H119 H124 S125 L127V118-V122 WeakPolarHBondContact O-CG2 3.45Å; V118-V122 PolarHBondContact O-N 3.37Å; H119-V122 WeakPolarHBondContact O-CB 3.42Å; H119-V122 PolarHBondContact O-N 3.02Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3Å; V122-S125 PolarHBondContact O-N 3.48Å; V122-L127 HydrophobicContact CB-CD1 4.45Å; V122-L127 HydrophobicContact CG1-CD1 4.22Å; V122-L127 HydrophobicContact CG2-CD1 4.12Å; V122-L127 HydrophobicContact CG2-CG 4.5Å
123T88.1Confident89.6Confident80 Ų8033.9 Ų33.949%0.49118%0.183SC..Hα-helixtrans-61.6-30.3-172.7-56.70000113.6H119 E120H119-T123 PolarHBondContact O-N 3.44Å; H119-T123 PolarHBondContact O-OG1 3.11Å; E120-T123 PolarHBondContact O-N 3.12Å
124H89.8Confident90Very high66 Ų6628.7 Ų28.731%0.30616%0.155SC..THydrogen-bonded Turntrans-99.329.9179.9-72.4-50.4000114.8V82 V85 I89 E120 V122 G126V82-H124 WeakPolarHBondContact CG1-NE2 3.41Å; V85-H124 HydrophobicContact CG1-CB 4.03Å; I89-H124 HydrophobicContact CD1-CB 4.38Å; I89-H124 WeakPolarHBondContact CD1-O 3.42Å; E120-H124 WeakPolarHBondContact O-CB 3.33Å; E120-H124 PolarHBondContact O-N 2.87Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3Å; H124-G126 PolarHBondContact O-N 2.83Å
125S89Confident90.3Very high66 Ų6631.7 Ų31.746%0.46218%0.177SC..THydrogen-bonded Turntrans60.524.9175.3-64.60000114.7V122 L127 D128 C129V122-S125 PolarHBondContact O-N 3.48Å; S125-L127 PolarHBondContact O-N 3.41Å; S125-D128 PolarHBondContact O-N 3.07Å; S125-D128 VanDerWaalsContact O-N 3.1Å; S125-C129 PolarHBondContact O-N 2.72Å; S125-C129 VanDerWaalsContact O-N 3.16Å
126G92.5Very high90.4Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-60.1-29.317200000112.5F121 H124 C129 L130F121-G126 WeakPolarHBondContact CE1-O 3.28Å; F121-G126 VanDerWaalsContact CZ-C 3.48Å; F121-G126 VanDerWaalsContact CZ-CA 3.47Å; F121-G126 VanDerWaalsContact CZ-O 3.31Å; F121-G126 WeakPolarHBondContact CZ-O 3.33Å; F121-G126 VanDerWaalsContact O-CA 3.24Å; F121-G126 WeakPolarHBondContact O-CA 3.48Å; F121-G126 PolarHBondContact O-N 3.42Å; H124-G126 PolarHBondContact O-N 2.83Å; G126-C129 VanDerWaalsContact O-CB 3.29Å; G126-C129 WeakPolarHBondContact O-CB 3.48Å; G126-C129 PolarHBondContact O-N 3.35Å; G126-L130 WeakPolarHBondContact O-CG 3.21Å; G126-L130 PolarHBondContact O-N 3.03Å
127L93.7Very high90.7Very high2 Ų237.1 Ų37.11%0.0120%0.198CC..Hα-helixtrans-66.2-38.7173.7-54.5179000112.8F121 V122 S125 C129 L130 V131 I152 H165 I168F121-L127 HydrophobicContact CD1-CD2 4.41Å; F121-L127 HydrophobicContact CE1-CD2 4.37Å; V122-L127 HydrophobicContact CB-CD1 4.45Å; V122-L127 HydrophobicContact CG1-CD1 4.22Å; V122-L127 HydrophobicContact CG2-CD1 4.12Å; V122-L127 HydrophobicContact CG2-CG 4.5Å; S125-L127 PolarHBondContact O-N 3.41Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-L130 PolarHBondContact O-N 2.94Å; L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 3.47Å; L127-I152 HydrophobicContact CD2-CD1 4.31Å; L127-I152 HydrophobicContact CD2-CG2 4.36Å; L127-H165 HydrophobicContact CD1-CB 4.23Å; L127-I168 HydrophobicContact CB-CD1 3.64Å; L127-I168 HydrophobicContact CB-CG1 4.24Å; L127-I168 HydrophobicContact CD1-CD1 3.51Å; L127-I168 HydrophobicContact CD2-CD1 4.16Å; L127-I168 HydrophobicContact CG-CD1 3.95Å
128D91.9Very high90.8Very high59 Ų5939.5 Ų39.532%0.31621%0.211SC..Hα-helixtrans-65.4-36.7171.9-71.7-71.1000111.6S125 V131 N132 H165S125-D128 PolarHBondContact O-N 3.07Å; S125-D128 VanDerWaalsContact O-N 3.1Å; D128-V131 PolarHBondContact O-N 2.81Å; D128-N132 VanDerWaalsContact O-CB 3.22Å; D128-N132 WeakPolarHBondContact O-CB 3.47Å; D128-N132 PolarHBondContact O-N 2.94Å; D128-H165 VanDerWaalsContact CG-CE1 3.49Å; D128-H165 IonicContact OD1-CE1 3.5Å; D128-H165 PolarHBondContact OD1-CE1 3.14Å; D128-H165 IonicContact OD1-NE2 2.68Å; D128-H165 PolarHBondContact OD1-NE2 3.46Å; D128-H165 VanDerWaalsContact OD1-NE2 3.12Å; D128-H165 IonicContact OD2-CD2 2.7Å; D128-H165 IonicContact OD2-CE1 2.69Å; D128-H165 IonicContact OD2-NE2 3.74Å; D128-H165 PolarHBondContact OD2-NE2 3.19Å
129C93.6Very high90.8Very high7 Ų742.3 Ų42.35%0.04722%0.224CC..Hα-helixtrans-58.5-51.2172.71780000110.8I89 S125 G126 L127 V131 N132 V133I89-C129 HydrophobicContact CG2-CB 4.1Å; S125-C129 PolarHBondContact O-N 2.72Å; S125-C129 VanDerWaalsContact O-N 3.16Å; G126-C129 VanDerWaalsContact O-CB 3.29Å; G126-C129 WeakPolarHBondContact O-CB 3.48Å; G126-C129 PolarHBondContact O-N 3.35Å; L127-C129 VanDerWaalsContact C-N 3.32Å; C129-V131 PolarHBondContact O-N 2.91Å; C129-N132 PolarHBondContact O-N 3.49Å; C129-V133 WeakPolarHBondContact O-CG2 3.1Å; C129-V133 PolarHBondContact O-N 3.5Å
130L94.3Very high91Very high5 Ų542.9 Ų42.93%0.02623%0.228CC..Hα-helixtrans-57.6-45.3177.4-66.6-172.1000112.5L92 L104 L107 F121 G126 L127 G134 I145 I152L92-L130 HydrophobicContact CD1-CD2 4.39Å; L104-L130 HydrophobicContact CD2-CD2 4.44Å; L107-L130 HydrophobicContact CD2-CD2 3.85Å; F121-L130 HydrophobicContact CE1-CD1 3.86Å; F121-L130 HydrophobicContact CE1-CG 3.99Å; F121-L130 HydrophobicContact CZ-CD1 4.25Å; F121-L130 HydrophobicContact CZ-CD2 4.17Å; F121-L130 HydrophobicContact CZ-CG 3.95Å; G126-L130 WeakPolarHBondContact O-CG 3.21Å; G126-L130 PolarHBondContact O-N 3.03Å; L127-L130 PolarHBondContact O-N 2.94Å; L130-G134 PolarHBondContact O-N 3.43Å; L130-I145 HydrophobicContact CB-CG2 3.91Å; L130-I145 HydrophobicContact CD1-CG2 4.48Å; L130-I145 HydrophobicContact CD2-CG2 4.2Å; L130-I145 HydrophobicContact CG-CG2 4.41Å; L130-I152 HydrophobicContact CD1-CD1 3.98Å
131V93.6Very high91.1Very high21 Ų2142.3 Ų42.313%0.12723%0.226CC..Hα-helixtrans-64.4-43.6177.6170.40000111.6L127 D128 C129 S135 I168 W171L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 3.47Å; D128-V131 PolarHBondContact O-N 2.81Å; C129-V131 PolarHBondContact O-N 2.91Å; V131-S135 VanDerWaalsContact O-CB 3.22Å; V131-S135 WeakPolarHBondContact O-CB 2.81Å; V131-S135 PolarHBondContact O-N 2.84Å; V131-S135 PolarHBondContact O-OG 2.69Å; V131-I168 HydrophobicContact CG2-CB 4.46Å; V131-I168 HydrophobicContact CG2-CG1 3.98Å; V131-W171 HydrophobicContact CG1-CB 3.95Å; V131-W171 HydrophobicContact CG1-CG 4.04Å; V131-W171 HydrophobicContact CG2-CB 4.12Å; V131-W171 HydrophobicContact CG2-CD2 4.34Å; V131-W171 HydrophobicContact CG2-CE3 4.23Å; V131-W171 HydrophobicContact CG2-CG 4.31Å
132N92.3Very high91.1Very high61 Ų6143.5 Ų43.533%0.32623%0.231SC..Hα-helixtrans-68.3-41.5-178.617943.3000112.6D128 C129 R136D128-N132 VanDerWaalsContact O-CB 3.22Å; D128-N132 WeakPolarHBondContact O-CB 3.47Å; D128-N132 PolarHBondContact O-N 2.94Å; C129-N132 PolarHBondContact O-N 3.49Å; N132-R136 WeakPolarHBondContact O-CG 3.45Å; N132-R136 PolarHBondContact O-NE 3.4Å; N132-R136 VanDerWaalsContact OD1-CZ 3.26Å; N132-R136 PolarHBondContact OD1-NE 3.21Å; N132-R136 PolarHBondContact OD1-NH2 2.96Å
133V92Very high91.1Very high14 Ų1442.9 Ų42.99%0.08523%0.227CC..Hα-helixtrans-68.4-50.11751770000109.7L92 L93 L100 L104 C129 S135 R136 S137 I141 I145L92-V133 WeakPolarHBondContact O-CG2 3.46Å; L93-V133 HydrophobicContact CD2-CG2 4.33Å; L100-V133 HydrophobicContact CD1-CG1 4.28Å; L100-V133 HydrophobicContact CD2-CG1 4.1Å; L104-V133 HydrophobicContact CD1-CG1 4.48Å; C129-V133 WeakPolarHBondContact O-CG2 3.1Å; C129-V133 PolarHBondContact O-N 3.5Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 2.76Å; V133-R136 PolarHBondContact O-N 2.96Å; V133-R136 VanDerWaalsContact O-N 3.1Å; V133-S137 WeakPolarHBondContact O-CB 3.5Å; V133-S137 PolarHBondContact O-N 3.09Å; V133-S137 PolarHBondContact O-OG 3.04Å; V133-I141 HydrophobicContact CG1-CG2 4.45Å; V133-I145 HydrophobicContact CB-CD1 4.26Å; V133-I145 HydrophobicContact CG1-CD1 3.94Å
134G91.2Very high91.4Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-61.7-35.6-177.300000114L130 R136 S137 Q142 I145L130-G134 PolarHBondContact O-N 3.43Å; G134-R136 PolarHBondContact O-N 2.82Å; G134-S137 PolarHBondContact O-N 3.16Å; G134-Q142 WeakPolarHBondContact O-CG 3.43Å; G134-Q142 PolarHBondContact O-NE2 2.95Å; G134-I145 VanDerWaalsContact CA-CD1 3.49Å
135S90.5Very high91.6Very high71 Ų7138.7 Ų38.750%0.49720%0.2SC..THydrogen-bonded Turntrans-65.5-15.9176.5-630000114.6V131 V133 W171V131-S135 VanDerWaalsContact O-CB 3.22Å; V131-S135 WeakPolarHBondContact O-CB 2.81Å; V131-S135 PolarHBondContact O-N 2.84Å; V131-S135 PolarHBondContact O-OG 2.69Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 2.76Å; S135-W171 PolarHBondContact OG-NE1 3.11Å
136R86.1Confident91.9Very high198 Ų19835.6 Ų35.675%0.74718%0.178SC*.THydrogen-bonded Turntrans-112.31.3-176.2-57.6176.6-165.1-135.93.3113.7N132 V133 G134N132-R136 WeakPolarHBondContact O-CG 3.45Å; N132-R136 PolarHBondContact O-NE 3.4Å; N132-R136 VanDerWaalsContact OD1-CZ 3.26Å; N132-R136 PolarHBondContact OD1-NE 3.21Å; N132-R136 PolarHBondContact OD1-NH2 2.96Å; V133-R136 PolarHBondContact O-N 2.96Å; V133-R136 VanDerWaalsContact O-N 3.1Å; G134-R136 PolarHBondContact O-N 2.82Å
137S89.3Confident91.8Very high30 Ų3038 Ų3821%0.2119%0.187CC..SBendtrans-107.5165.9-159.3-74.70000115.1V133 G134 I141V133-S137 WeakPolarHBondContact O-CB 3.5Å; V133-S137 PolarHBondContact O-N 3.09Å; V133-S137 PolarHBondContact O-OG 3.04Å; G134-S137 PolarHBondContact O-N 3.16Å; S137-I141 VanDerWaalsContact OG-CG2 3.23Å; S137-I141 WeakPolarHBondContact OG-CG2 3.33Å
138D89.9Confident91.8Very high52 Ų5237.9 Ų37.928%0.27819%0.187SC..  trans-71.416517087.4-10.5000112.1K101 N140 I141 Q142K101-D138 WeakPolarHBondContact CE-OD2 3.23Å; K101-D138 IonicContact NZ-OD1 3.63Å; K101-D138 IonicContact NZ-OD2 2.7Å; K101-D138 PolarHBondContact NZ-OD2 3.47Å; D138-N140 PolarHBondContact O-N 2.68Å; D138-N140 VanDerWaalsContact O-N 3.15Å; D138-N140 WeakPolarHBondContact OD1-CB 3.37Å; D138-N140 PolarHBondContact OD1-N 2.72Å; D138-N140 VanDerWaalsContact OD1-N 3.17Å; D138-N140 PolarHBondContact OD2-ND2 2.68Å; D138-I141 PolarHBondContact O-N 2.76Å; D138-I141 WeakPolarHBondContact OD1-CB 3.33Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.24Å; D138-I141 PolarHBondContact OD1-N 2.95Å; D138-Q142 WeakPolarHBondContact O-CG 3.33Å; D138-Q142 PolarHBondContact O-N 3.33Å
139Q91.1Very high91.9Very high59 Ų5935.2 Ų35.228%0.27617%0.172SC..Hα-helixtrans-61.6-25.4-176.271-79.77.800113.8N143 F180 V183Q139-N143 WeakPolarHBondContact O-CB 3.42Å; Q139-N143 PolarHBondContact O-N 2.98Å; Q139-F180 HydrophobicContact CB-CB 3.92Å; Q139-F180 HydrophobicContact CB-CD1 3.92Å; Q139-F180 HydrophobicContact CB-CD2 3.45Å; Q139-F180 VanDerWaalsContact CB-CD2 3.45Å; Q139-F180 HydrophobicContact CB-CE1 4.28Å; Q139-F180 HydrophobicContact CB-CE2 3.84Å; Q139-F180 HydrophobicContact CB-CG 3.47Å; Q139-F180 VanDerWaalsContact CB-CG 3.47Å; Q139-F180 HydrophobicContact CB-CZ 4.23Å; Q139-F180 HydrophobicContact CG-CB 4.35Å; Q139-F180 HydrophobicContact CG-CD1 3.6Å; Q139-F180 HydrophobicContact CG-CD2 4.05Å; Q139-F180 HydrophobicContact CG-CE1 3.77Å; Q139-F180 HydrophobicContact CG-CE2 4.2Å; Q139-F180 HydrophobicContact CG-CG 3.73Å; Q139-F180 HydrophobicContact CG-CZ 4.07Å; Q139-V183 HydrophobicContact CB-CG2 4.1Å
140N89.6Confident91.8Very high55 Ų5535 Ų3529%0.29417%0.171SC..Hα-helixtrans-76.7-45.2-178.6-48.8-67.1000109.9D138 N143 Y144D138-N140 PolarHBondContact O-N 2.68Å; D138-N140 VanDerWaalsContact O-N 3.15Å; D138-N140 WeakPolarHBondContact OD1-CB 3.37Å; D138-N140 PolarHBondContact OD1-N 2.72Å; D138-N140 VanDerWaalsContact OD1-N 3.17Å; D138-N140 PolarHBondContact OD2-ND2 2.68Å; N140-N143 WeakPolarHBondContact O-CB 3.19Å; N140-N143 PolarHBondContact O-N 2.95Å; N140-Y144 WeakPolarHBondContact O-CD2 3.45Å; N140-Y144 PolarHBondContact O-N 3.26Å
141I91Very high91.7Very high14 Ų1435.1 Ų35.17%0.07217%0.172CC..Hα-helixtrans-63.7-42.8172.3-71.9161.8000110.7L100 K101 L104 V133 S137 D138 N143 Y144 I145L100-I141 HydrophobicContact CD2-CD1 4.2Å; K101-I141 HydrophobicContact CD-CD1 4.49Å; K101-I141 HydrophobicContact CD-CG1 4.25Å; K101-I141 HydrophobicContact CG-CD1 4Å; K101-I141 HydrophobicContact CG-CG1 3.57Å; L104-I141 HydrophobicContact CD1-CG2 3.6Å; V133-I141 HydrophobicContact CG1-CG2 4.45Å; S137-I141 VanDerWaalsContact OG-CG2 3.23Å; S137-I141 WeakPolarHBondContact OG-CG2 3.33Å; D138-I141 PolarHBondContact O-N 2.76Å; D138-I141 WeakPolarHBondContact OD1-CB 3.33Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.24Å; D138-I141 PolarHBondContact OD1-N 2.95Å; I141-N143 VanDerWaalsContact C-N 3.32Å; I141-N143 PolarHBondContact O-N 3.33Å; I141-Y144 PolarHBondContact O-N 3.09Å; I141-I145 HydrophobicContact CG2-CD1 3.85Å; I141-I145 WeakPolarHBondContact O-CG1 3.32Å; I141-I145 PolarHBondContact O-N 3.14Å
142Q93.4Very high91.6Very high25 Ų2534.1 Ų34.112%0.11717%0.166CC..Hα-helixtrans-58.6-43.1173.4-73.8179.3-13.800111.7G134 D138 I145 L146 V183G134-Q142 WeakPolarHBondContact O-CG 3.43Å; G134-Q142 PolarHBondContact O-NE2 2.95Å; D138-Q142 WeakPolarHBondContact O-CG 3.33Å; D138-Q142 PolarHBondContact O-N 3.33Å; Q142-I145 PolarHBondContact O-N 3Å; Q142-L146 VanDerWaalsContact O-CG 3.26Å; Q142-L146 WeakPolarHBondContact O-CG 3.46Å; Q142-L146 PolarHBondContact O-N 3.35Å; Q142-V183 HydrophobicContact CB-CG1 4.49Å; Q142-V183 HydrophobicContact CB-CG2 4.49Å
143N91.4Very high91.5Very high15 Ų1531.2 Ų31.28%0.0815%0.15CC..Hα-helixtrans-59.8-50.3175.3-173.8-79.1000111.8Q139 N140 I141 I145 L146 R147 L182Q139-N143 WeakPolarHBondContact O-CB 3.42Å; Q139-N143 PolarHBondContact O-N 2.98Å; N140-N143 WeakPolarHBondContact O-CB 3.19Å; N140-N143 PolarHBondContact O-N 2.95Å; I141-N143 VanDerWaalsContact C-N 3.32Å; I141-N143 PolarHBondContact O-N 3.33Å; N143-I145 VanDerWaalsContact C-N 3.3Å; N143-I145 PolarHBondContact O-N 3.44Å; N143-L146 PolarHBondContact O-N 3.38Å; N143-R147 WeakPolarHBondContact O-CG 3.44Å; N143-R147 PolarHBondContact O-N 2.93Å; N143-R147 WeakPolarHBondContact OD1-CD 3.38Å; N143-L182 WeakPolarHBondContact ND2-CD2 3.37Å; N143-L182 WeakPolarHBondContact ND2-CG 3.44Å
144Y92.8Very high91.3Very high59 Ų5931 Ų3123%0.23115%0.149CC..Hα-helixtrans-59-38.7177.7-61-45.5000113.1F105 N140 I141 R147 A148F105-Y144 HydrophobicContact CD2-CD1 4.2Å; F105-Y144 AromaticContact CD2-CE1 3.63Å; F105-Y144 HydrophobicContact CD2-CE1 3.63Å; F105-Y144 AromaticContact CD2-CZ 3.99Å; F105-Y144 HydrophobicContact CE2-CE1 4.33Å; N140-Y144 WeakPolarHBondContact O-CD2 3.45Å; N140-Y144 PolarHBondContact O-N 3.26Å; I141-Y144 PolarHBondContact O-N 3.09Å; Y144-R147 PolarHBondContact O-N 3.06Å; Y144-A148 PolarHBondContact O-N 3.01Å
145I94.3Very high91.1Very high0 Ų031.6 Ų31.60%015%0.151CC..Hα-helixtrans-63.7-42.7174.1-68165.3000111.1L104 L130 V133 G134 I141 Q142 N143 A148 L149 W171L104-I145 HydrophobicContact CD1-CD1 4.06Å; L104-I145 HydrophobicContact CD1-CG1 3.87Å; L104-I145 HydrophobicContact CD2-CD1 4.49Å; L104-I145 HydrophobicContact CD2-CG1 3.69Å; L104-I145 HydrophobicContact CG-CG1 4.39Å; L130-I145 HydrophobicContact CB-CG2 3.91Å; L130-I145 HydrophobicContact CD1-CG2 4.48Å; L130-I145 HydrophobicContact CD2-CG2 4.2Å; L130-I145 HydrophobicContact CG-CG2 4.41Å; V133-I145 HydrophobicContact CB-CD1 4.26Å; V133-I145 HydrophobicContact CG1-CD1 3.94Å; G134-I145 VanDerWaalsContact CA-CD1 3.49Å; I141-I145 HydrophobicContact CG2-CD1 3.85Å; I141-I145 WeakPolarHBondContact O-CG1 3.32Å; I141-I145 PolarHBondContact O-N 3.14Å; Q142-I145 PolarHBondContact O-N 3Å; N143-I145 VanDerWaalsContact C-N 3.3Å; N143-I145 PolarHBondContact O-N 3.44Å; I145-A148 PolarHBondContact O-N 3.2Å; I145-L149 WeakPolarHBondContact O-CB 3.44Å; I145-L149 PolarHBondContact O-N 3.28Å; I145-W171 HydrophobicContact CB-CH2 4.26Å; I145-W171 HydrophobicContact CG2-CH2 3.53Å; I145-W171 HydrophobicContact CG2-CZ2 4.48Å; I145-W171 HydrophobicContact CG2-CZ3 3.95Å
146L94.9Very high90.7Very high0 Ų028.9 Ų28.90%013%0.132CC..Hα-helixtrans-66.1-36177-67.5168.2000112.3Q142 N143 L149 G150 W171 L172 L175 V183 T186 L190Q142-L146 VanDerWaalsContact O-CG 3.26Å; Q142-L146 WeakPolarHBondContact O-CG 3.46Å; Q142-L146 PolarHBondContact O-N 3.35Å; N143-L146 PolarHBondContact O-N 3.38Å; L146-L149 PolarHBondContact O-N 3.3Å; L146-G150 PolarHBondContact O-N 2.82Å; L146-W171 HydrophobicContact CD2-CH2 4.04Å; L146-W171 HydrophobicContact CD2-CZ3 3.91Å; L146-W171 HydrophobicContact CG-CH2 4.31Å; L146-L172 HydrophobicContact CD2-CD2 3.37Å; L146-L175 HydrophobicContact CD1-CD1 4.09Å; L146-L175 HydrophobicContact CD2-CD1 3.93Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; L146-V183 HydrophobicContact CD1-CG1 3.93Å; L146-T186 HydrophobicContact CB-CG2 3.74Å; L146-T186 HydrophobicContact CD1-CG2 4.43Å; L146-L190 HydrophobicContact CB-CD1 4.31Å; L146-L190 HydrophobicContact CD2-CD1 3.85Å
147R91.4Very high90.6Very high50 Ų5020 Ų2019%0.18910%0.099CC..Hα-helixtrans-65.2-40.7174.4-66.1179.892.4119.92.5112.3N143 Y144 Q151 L1415 D1416N143-R147 WeakPolarHBondContact O-CG 3.44Å; N143-R147 PolarHBondContact O-N 2.93Å; N143-R147 WeakPolarHBondContact OD1-CD 3.38Å; Y144-R147 PolarHBondContact O-N 3.06Å; R147-Q151 PolarHBondContact O-N 3.38Å; R147-Q151 VanDerWaalsContact O-N 3.14Å; R147-L1415 PolarHBondContact NH2-O 2.91Å; R147-D1416 IonicContact CZ-OD1 3.86Å; R147-D1416 IonicContact NH1-OD1 2.7Å; R147-D1416 PolarHBondContact NH1-OD1 3.32Å; R147-D1416 IonicContact NH2-OD1 2.65Å
148A92.7Very high90.6Very high0 Ų018.6 Ų18.60%09%0.089CC..Hα-helixtrans-70.3-40.2175.100000112.2L107 Y144 I145 G150 Q151 I152L107-A148 HydrophobicContact CB-CB 4.21Å; L107-A148 HydrophobicContact CD2-CB 3.87Å; L107-A148 HydrophobicContact CG-CB 3.99Å; Y144-A148 PolarHBondContact O-N 3.01Å; I145-A148 PolarHBondContact O-N 3.2Å; A148-G150 VanDerWaalsContact C-N 3.33Å; A148-G150 PolarHBondContact O-N 3.15Å; A148-Q151 WeakPolarHBondContact O-CB 3.47Å; A148-Q151 PolarHBondContact O-N 2.95Å; A148-I152 WeakPolarHBondContact O-CG1 3.32Å; A148-I152 PolarHBondContact O-N 3.27Å
149L94.4Very high90.6Very high3 Ų316.2 Ų16.22%0.0168%0.076CC..Hα-helixtrans-64.4-37.2174.1-179.560.7000111.8I145 L146 I152 M153 V162 I168 W171 L172 L190I145-L149 WeakPolarHBondContact O-CB 3.44Å; I145-L149 PolarHBondContact O-N 3.28Å; L146-L149 PolarHBondContact O-N 3.3Å; L149-I152 WeakPolarHBondContact O-CB 3.39Å; L149-I152 PolarHBondContact O-N 3.37Å; L149-M153 HydrophobicContact CD1-CG 4.37Å; L149-M153 HydrophobicContact CD1-SD 4.42Å; L149-M153 HydrophobicContact CG-SD 4.21Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 WeakPolarHBondContact O-CG 3.23Å; L149-M153 PolarHBondContact O-N 3.21Å; L149-V162 HydrophobicContact CD1-CG2 4.14Å; L149-I168 HydrophobicContact CD1-CG2 4.21Å; L149-I168 HydrophobicContact CD2-CG2 3.69Å; L149-W171 HydrophobicContact CD2-CZ3 4.29Å; L149-L172 HydrophobicContact CD2-CD1 4.29Å; L149-L172 HydrophobicContact CD2-CD2 4.05Å; L149-L172 HydrophobicContact CD2-CG 4.37Å; L149-L190 HydrophobicContact CB-CD1 4.42Å; L149-L190 HydrophobicContact CD2-CD1 4.14Å; L149-L190 HydrophobicContact CG-CD1 4.25Å
150G91.2Very high90.3Very high3 Ų315.3 Ų15.33%0.0318%0.079CC..Hα-helixtrans-60.1-44.1170.600000112.5L146 A148 I152 M153 L154L146-G150 PolarHBondContact O-N 2.82Å; A148-G150 VanDerWaalsContact C-N 3.33Å; A148-G150 PolarHBondContact O-N 3.15Å; G150-I152 PolarHBondContact O-N 3.46Å; G150-M153 PolarHBondContact O-N 3.3Å; G150-L154 WeakPolarHBondContact O-CG 3.37Å; G150-L154 PolarHBondContact O-N 3.35Å
151Q91.9Very high90.2Very high8 Ų812.9 Ų12.94%0.0377%0.067CC..Hα-helixtrans-61.7-43.3174.4-167.866.336.100111.9K108 F111 Q112 R147 A148 M153 L154 Y155K108-Q151 HydrophobicContact CG-CB 4.1Å; K108-Q151 HydrophobicContact CG-CG 4.44Å; F111-Q151 HydrophobicContact CB-CG 4.05Å; Q112-Q151 HydrophobicContact CB-CG 4.46Å; R147-Q151 PolarHBondContact O-N 3.38Å; R147-Q151 VanDerWaalsContact O-N 3.14Å; A148-Q151 WeakPolarHBondContact O-CB 3.47Å; A148-Q151 PolarHBondContact O-N 2.95Å; Q151-M153 PolarHBondContact O-N 3.19Å; Q151-L154 PolarHBondContact O-N 2.84Å; Q151-Y155 HydrophobicContact CG-CE2 4.25Å; Q151-Y155 PolarHBondContact NE2-OH 3.34Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.42Å; Q151-Y155 VanDerWaalsContact O-CE2 3.3Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.49Å
152I91.5Very high90.2Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-57.5-47.7174.3-72.4160.8000110.9F111 V118 F121 L127 L130 A148 L149 G150 L154 Y155 G158F111-I152 HydrophobicContact CD2-CD1 4.01Å; F111-I152 HydrophobicContact CD2-CG1 3.8Å; F111-I152 HydrophobicContact CE2-CD1 3.58Å; F111-I152 HydrophobicContact CE2-CG1 3.86Å; F111-I152 HydrophobicContact CG-CG1 4.31Å; F111-I152 HydrophobicContact CZ-CD1 4.14Å; F111-I152 HydrophobicContact CZ-CG1 4.44Å; V118-I152 HydrophobicContact CG1-CB 4.42Å; V118-I152 HydrophobicContact CG1-CG1 4.35Å; V118-I152 HydrophobicContact CG1-CG2 4.05Å; F121-I152 HydrophobicContact CD1-CD1 3.97Å; F121-I152 HydrophobicContact CE1-CD1 3.93Å; L127-I152 HydrophobicContact CD2-CD1 4.31Å; L127-I152 HydrophobicContact CD2-CG2 4.36Å; L130-I152 HydrophobicContact CD1-CD1 3.98Å; A148-I152 WeakPolarHBondContact O-CG1 3.32Å; A148-I152 PolarHBondContact O-N 3.27Å; L149-I152 WeakPolarHBondContact O-CB 3.39Å; L149-I152 PolarHBondContact O-N 3.37Å; G150-I152 PolarHBondContact O-N 3.46Å; I152-L154 PolarHBondContact O-N 3.44Å; I152-Y155 PolarHBondContact O-N 2.86Å; I152-Y155 VanDerWaalsContact O-N 3.15Å; I152-G158 WeakPolarHBondContact O-CA 3.47Å
153M90.2Very high89.9Confident0 Ų012.6 Ų12.60%07%0.066CC..Hα-helixtrans-69.4-9.2-176.6-73.2179.467.900115.1L149 G150 Q151 Y155 M159 V162 L190 L193 F194 I1318L149-M153 HydrophobicContact CD1-CG 4.37Å; L149-M153 HydrophobicContact CD1-SD 4.42Å; L149-M153 HydrophobicContact CG-SD 4.21Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 WeakPolarHBondContact O-CG 3.23Å; L149-M153 PolarHBondContact O-N 3.21Å; G150-M153 PolarHBondContact O-N 3.3Å; Q151-M153 PolarHBondContact O-N 3.19Å; M153-Y155 VanDerWaalsContact C-N 3.34Å; M153-M159 HydrophobicContact CE-SD 3.92Å; M153-V162 HydrophobicContact CG-CG2 3.87Å; M153-V162 HydrophobicContact SD-CG1 4.48Å; M153-V162 HydrophobicContact SD-CG2 4.34Å; M153-L190 WeakPolarHBondContact CE-O 3.38Å; M153-L190 HydrophobicContact SD-CB 4.31Å; M153-L190 HydrophobicContact SD-CD2 4.11Å; M153-L193 HydrophobicContact CB-CD2 4Å; M153-L193 HydrophobicContact CE-CB 4.46Å; M153-L193 HydrophobicContact CE-CD2 4.27Å; M153-L193 HydrophobicContact CE-CG 4.35Å; M153-F194 HydrophobicContact CE-CB 3.9Å; M153-F194 HydrophobicContact CE-CD2 4.46Å; M153-I1318 WeakPolarHBondContact O-CD1 3.48Å
154L87.8Confident89.7Confident10 Ų1018.2 Ų18.25%0.0529%0.092CC..THydrogen-bonded Turntrans-79.5-17172-69.3171.1000113.1G150 Q151 I152 L1317 I1318 L1422G150-L154 WeakPolarHBondContact O-CG 3.37Å; G150-L154 PolarHBondContact O-N 3.35Å; Q151-L154 PolarHBondContact O-N 2.84Å; I152-L154 PolarHBondContact O-N 3.44Å; L154-L1317 HydrophobicContact CB-CD2 4.07Å; L154-L1317 WeakPolarHBondContact O-CA 3.32Å; L154-I1318 WeakPolarHBondContact O-CG1 3.43Å; L154-I1318 PolarHBondContact O-N 3.1Å; L154-L1422 HydrophobicContact CD1-CD2 3.75Å; L154-L1422 HydrophobicContact CD1-CG 4.48Å
155Y87.1Confident89.4Confident12 Ų1216.9 Ų16.95%0.0479%0.087CC..BIsolated β-bridgetrans-98146177.8-58.7-80000111.7F111 K115 V118 Q151 I152 M153 D157 G158 M159 G1315 K1316 L1317F111-Y155 WeakPolarHBondContact O-CE2 3.46Å; F111-Y155 PolarHBondContact O-OH 2.82Å; F111-Y155 VanDerWaalsContact O-OH 3.07Å; K115-Y155 HydrophobicContact CB-CD1 4.29Å; K115-Y155 HydrophobicContact CB-CE1 3.66Å; V118-Y155 HydrophobicContact CB-CD2 4.41Å; V118-Y155 HydrophobicContact CG1-CD2 4.23Å; V118-Y155 HydrophobicContact CG2-CD2 3.76Å; V118-Y155 HydrophobicContact CG2-CE2 3.97Å; V118-Y155 HydrophobicContact CG2-CG 4.42Å; Q151-Y155 HydrophobicContact CG-CE2 4.25Å; Q151-Y155 PolarHBondContact NE2-OH 3.34Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.42Å; Q151-Y155 VanDerWaalsContact O-CE2 3.3Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.49Å; I152-Y155 PolarHBondContact O-N 2.86Å; I152-Y155 VanDerWaalsContact O-N 3.15Å; M153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-D157 PolarHBondContact O-N 3.09Å; Y155-G158 PolarHBondContact O-N 3.4Å; Y155-M159 WeakPolarHBondContact O-CB 3.46Å; Y155-M159 PolarHBondContact O-N 3.16Å; Y155-G1315 VanDerWaalsContact CD1-O 3.26Å; Y155-G1315 WeakPolarHBondContact CD1-O 3.24Å; Y155-G1315 WeakPolarHBondContact CE1-O 3.45Å; Y155-K1316 VanDerWaalsContact CA-O 3.3Å; Y155-K1316 WeakPolarHBondContact CA-O 3.43Å; Y155-L1317 HydrophobicContact CD1-CD2 3.77Å; Y155-L1317 HydrophobicContact CD1-CG 4.35Å; Y155-L1317 HydrophobicContact CE1-CD2 3.49Å; Y155-L1317 VanDerWaalsContact CE1-CD2 3.49Å; Y155-L1317 HydrophobicContact CE1-CG 4.1Å; Y155-L1317 HydrophobicContact CG-CD2 4.42Å
156V83.4Confident89Confident14 Ų1417.9 Ų17.99%0.0859%0.094CC..Hα-helixtrans-58.3-44.8-178.6179.30000111.9A160 T1313 K1316 I1318 L1321V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.28Å; V156-A160 PolarHBondContact O-N 3.44Å; V156-T1313 HydrophobicContact CG1-CG2 4.25Å; V156-K1316 PolarHBondContact N-O 3.3Å; V156-I1318 HydrophobicContact CG2-CG1 4.08Å; V156-L1321 HydrophobicContact CG2-CB 4.44Å; V156-L1321 HydrophobicContact CG2-CD1 4.33Å; V156-L1321 HydrophobicContact CG2-CD2 3.96Å; V156-L1321 HydrophobicContact CG2-CG 4.48Å
157D83.3Confident88.8Confident12 Ų1221.3 Ų21.36%0.06411%0.112CC..Hα-helixtrans-65.6-40.8177.2-55.1-78.8000112.8H119 Y155 A160 G161 R1314 G1315H119-D157 HydrophobicContact CB-CB 3.97Å; H119-D157 IonicContact CE1-OD1 3.22Å; H119-D157 IonicContact CG-OD1 3.96Å; H119-D157 IonicContact ND1-OD1 2.87Å; H119-D157 PolarHBondContact ND1-OD1 2.78Å; Y155-D157 PolarHBondContact O-N 3.09Å; D157-A160 PolarHBondContact O-N 3.49Å; D157-G161 PolarHBondContact O-N 2.9Å; D157-R1314 VanDerWaalsContact OD2-CA 3.25Å; D157-R1314 WeakPolarHBondContact OD2-CA 3.41Å; D157-G1315 PolarHBondContact OD2-N 3.23Å
158G89.4Confident88.9Confident0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-65.8-42.6-179.700000111.4I152 Y155 G161 V162I152-G158 WeakPolarHBondContact O-CA 3.47Å; Y155-G158 PolarHBondContact O-N 3.4Å; G158-G161 PolarHBondContact O-N 2.87Å; G158-V162 WeakPolarHBondContact O-CG2 3.47Å; G158-V162 PolarHBondContact O-N 3.3Å
159M89.6Confident89Confident1 Ų119 Ų191%0.00510%0.104CC..Hα-helixtrans-68.9-42.7175.8-175.349.6-178.100112.4M153 Y155 G161 V162 I163 F194 Y197 N201 I1318M153-M159 HydrophobicContact CE-SD 3.92Å; Y155-M159 WeakPolarHBondContact O-CB 3.46Å; Y155-M159 PolarHBondContact O-N 3.16Å; M159-G161 VanDerWaalsContact C-N 3.27Å; M159-G161 PolarHBondContact O-N 3.12Å; M159-V162 PolarHBondContact O-N 3.24Å; M159-V162 VanDerWaalsContact O-N 3.12Å; M159-I163 HydrophobicContact CE-CD1 4.29Å; M159-I163 HydrophobicContact CE-CG1 4.3Å; M159-I163 HydrophobicContact CG-CD1 4.47Å; M159-I163 WeakPolarHBondContact O-CG1 3.48Å; M159-I163 PolarHBondContact O-N 3.38Å; M159-F194 HydrophobicContact CE-CB 4.35Å; M159-F194 HydrophobicContact CE-CD2 3.55Å; M159-F194 HydrophobicContact CE-CE2 4.06Å; M159-F194 HydrophobicContact CE-CG 4.18Å; M159-F194 WeakPolarHBondContact CE-O 3.44Å; M159-F194 HydrophobicContact SD-CD2 4.01Å; M159-Y197 HydrophobicContact CE-CD1 3.66Å; M159-Y197 HydrophobicContact CE-CD2 4.47Å; M159-Y197 HydrophobicContact CE-CG 3.58Å; M159-Y197 HydrophobicContact CG-CD1 3.78Å; M159-Y197 HydrophobicContact CG-CD2 3.92Å; M159-Y197 HydrophobicContact CG-CE1 3.87Å; M159-Y197 HydrophobicContact CG-CE2 4.03Å; M159-Y197 HydrophobicContact CG-CG 3.78Å; M159-N201 VanDerWaalsContact CE-ND2 3.27Å; M159-N201 WeakPolarHBondContact CE-ND2 3.35Å; M159-I1318 HydrophobicContact CB-CD1 3.87Å; M159-I1318 HydrophobicContact CG-CD1 4.13Å
160A85.2Confident89Confident40 Ų4020.9 Ų20.933%0.33111%0.111SC..Hα-helixtrans-57.9-40.4170.500000111.8V156 D157 V162 I163 E164V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.28Å; V156-A160 PolarHBondContact O-N 3.44Å; D157-A160 PolarHBondContact O-N 3.49Å; A160-V162 PolarHBondContact O-N 3.18Å; A160-I163 WeakPolarHBondContact O-CB 3.35Å; A160-I163 PolarHBondContact O-N 3Å; A160-E164 PolarHBondContact O-N 3.12Å
161G87Confident89.1Confident4 Ų421.2 Ų21.24%0.04111%0.111CC..Hα-helixtrans-59.3-40.8172.600000113.9D157 G158 M159 E164 H165D157-G161 PolarHBondContact O-N 2.9Å; G158-G161 PolarHBondContact O-N 2.87Å; M159-G161 VanDerWaalsContact C-N 3.27Å; M159-G161 PolarHBondContact O-N 3.12Å; G161-E164 PolarHBondContact O-N 3.03Å; G161-H165 WeakPolarHBondContact O-CB 3.48Å; G161-H165 PolarHBondContact O-N 2.97Å; G161-H165 VanDerWaalsContact O-N 3.17Å
162V90.7Very high89.3Confident0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-70.6-33175.6176.80000111.8L149 M153 G158 M159 A160 H165 I168 L169 F194L149-V162 HydrophobicContact CD1-CG2 4.14Å; M153-V162 HydrophobicContact CG-CG2 3.87Å; M153-V162 HydrophobicContact SD-CG1 4.48Å; M153-V162 HydrophobicContact SD-CG2 4.34Å; G158-V162 WeakPolarHBondContact O-CG2 3.47Å; G158-V162 PolarHBondContact O-N 3.3Å; M159-V162 PolarHBondContact O-N 3.24Å; M159-V162 VanDerWaalsContact O-N 3.12Å; A160-V162 PolarHBondContact O-N 3.18Å; V162-H165 CarbonylContact O-C 3.58Å; V162-H165 PolarHBondContact O-N 2.8Å; V162-I168 HydrophobicContact CB-CD1 4.31Å; V162-I168 HydrophobicContact CG1-CD1 4.36Å; V162-I168 HydrophobicContact CG1-CG2 4.31Å; V162-I168 HydrophobicContact CG2-CD1 3.81Å; V162-L169 HydrophobicContact CG1-CD2 4.03Å; V162-F194 HydrophobicContact CG1-CD2 3.67Å; V162-F194 HydrophobicContact CG1-CE2 3.87Å
163I88.8Confident89.5Confident33 Ų3320.9 Ų20.917%0.16911%0.109CC..Hα-helixtrans-63.8-42.8173.7-68.7168.1000111.2M159 A160 H165 F194 Y197 I204M159-I163 HydrophobicContact CE-CD1 4.29Å; M159-I163 HydrophobicContact CE-CG1 4.3Å; M159-I163 HydrophobicContact CG-CD1 4.47Å; M159-I163 WeakPolarHBondContact O-CG1 3.48Å; M159-I163 PolarHBondContact O-N 3.38Å; A160-I163 WeakPolarHBondContact O-CB 3.35Å; A160-I163 PolarHBondContact O-N 3Å; I163-H165 PolarHBondContact O-N 2.86Å; I163-F194 HydrophobicContact CB-CE2 4.34Å; I163-F194 HydrophobicContact CG1-CE2 3.58Å; I163-F194 HydrophobicContact CG1-CZ 4.05Å; I163-Y197 HydrophobicContact CD1-CD1 3.88Å; I163-Y197 HydrophobicContact CD1-CE1 3.79Å; I163-I204 HydrophobicContact CG2-CD1 3.74Å
164E86Confident89.7Confident134 Ų13422 Ų2263%0.62612%0.117SC*.Hα-helixtrans-75-9.6175.8-67.3-174.1178.900113.5A160 G161 P166 L348A160-E164 PolarHBondContact O-N 3.12Å; G161-E164 PolarHBondContact O-N 3.03Å; E164-P166 VanDerWaalsContact O-CD 3.27Å; E164-P166 WeakPolarHBondContact O-CD 3.39Å; E164-L348 VanDerWaalsContact O-CD2 3.25Å; E164-L348 WeakPolarHBondContact O-CD2 3.49Å
165H87.1Confident90Very high31 Ų3122 Ų2214%0.14412%0.117CC..  trans-122.975.5-170.6-155-59000114.1L127 D128 G161 V162 I163 N167 I168L127-H165 HydrophobicContact CD1-CB 4.23Å; D128-H165 VanDerWaalsContact CG-CE1 3.49Å; D128-H165 IonicContact OD1-CE1 3.5Å; D128-H165 PolarHBondContact OD1-CE1 3.14Å; D128-H165 IonicContact OD1-NE2 2.68Å; D128-H165 PolarHBondContact OD1-NE2 3.46Å; D128-H165 VanDerWaalsContact OD1-NE2 3.12Å; D128-H165 IonicContact OD2-CD2 2.7Å; D128-H165 IonicContact OD2-CE1 2.69Å; D128-H165 IonicContact OD2-NE2 3.74Å; D128-H165 PolarHBondContact OD2-NE2 3.19Å; G161-H165 WeakPolarHBondContact O-CB 3.48Å; G161-H165 PolarHBondContact O-N 2.97Å; G161-H165 VanDerWaalsContact O-N 3.17Å; V162-H165 CarbonylContact O-C 3.58Å; V162-H165 PolarHBondContact O-N 2.8Å; I163-H165 PolarHBondContact O-N 2.86Å; H165-N167 PolarHBondContact O-N 2.68Å; H165-I168 HydrophobicContact CB-CD1 3.73Å; H165-I168 HydrophobicContact CB-CG1 4.3Å; H165-I168 PolarHBondContact O-N 3.38Å; H165-I168 VanDerWaalsContact O-N 3.15Å
166P85.7Confident90.4Very high21 Ų2121.8 Ų21.814%0.13612%0.117CC..Hα-helixtrans-67.3-6.9-174.427-36.1000114.8E164 I168 R170 L348E164-P166 VanDerWaalsContact O-CD 3.27Å; E164-P166 WeakPolarHBondContact O-CD 3.39Å; P166-I168 VanDerWaalsContact C-N 3.33Å; P166-R170 WeakPolarHBondContact O-CD 3.43Å; P166-R170 VanDerWaalsContact O-CG 3.24Å; P166-R170 WeakPolarHBondContact O-CG 3.47Å; P166-R170 PolarHBondContact O-N 2.88Å; P166-L348 HydrophobicContact CG-CD2 4.39Å
167N89.7Confident90.8Very high71 Ų7124.9 Ų24.938%0.3814%0.136SC..Hα-helixtrans-71.1-30173.5-68.4-24.6000112.1H165 R170 W171H165-N167 PolarHBondContact O-N 2.68Å; N167-R170 PolarHBondContact O-N 3.34Å; N167-R170 PolarHBondContact OD1-NH1 2.98Å; N167-W171 WeakPolarHBondContact O-CB 3.4Å; N167-W171 PolarHBondContact O-N 3.21Å
168I94.7Very high91.1Very high2 Ų225.6 Ų25.61%0.0114%0.142CC..Hα-helixtrans-63.9-46.1174.2-57.3165.1000109.9L127 V131 L149 V162 H165 P166 R170 W171 L172L127-I168 HydrophobicContact CB-CD1 3.64Å; L127-I168 HydrophobicContact CB-CG1 4.24Å; L127-I168 HydrophobicContact CD1-CD1 3.51Å; L127-I168 HydrophobicContact CD2-CD1 4.16Å; L127-I168 HydrophobicContact CG-CD1 3.95Å; V131-I168 HydrophobicContact CG2-CB 4.46Å; V131-I168 HydrophobicContact CG2-CG1 3.98Å; L149-I168 HydrophobicContact CD1-CG2 4.21Å; L149-I168 HydrophobicContact CD2-CG2 3.69Å; V162-I168 HydrophobicContact CB-CD1 4.31Å; V162-I168 HydrophobicContact CG1-CD1 4.36Å; V162-I168 HydrophobicContact CG1-CG2 4.31Å; V162-I168 HydrophobicContact CG2-CD1 3.81Å; H165-I168 HydrophobicContact CB-CD1 3.73Å; H165-I168 HydrophobicContact CB-CG1 4.3Å; H165-I168 PolarHBondContact O-N 3.38Å; H165-I168 VanDerWaalsContact O-N 3.15Å; P166-I168 VanDerWaalsContact C-N 3.33Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.42Å; I168-W171 PolarHBondContact O-N 3.34Å; I168-W171 VanDerWaalsContact O-N 3.13Å; I168-L172 HydrophobicContact CG2-CD1 4.05Å; I168-L172 HydrophobicContact CG2-CG 4.29Å; I168-L172 WeakPolarHBondContact O-CB 3.3Å; I168-L172 WeakPolarHBondContact O-CG 3.18Å; I168-L172 PolarHBondContact O-N 3.08Å
169L93.6Very high91.1Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-62.5-41.3178.5-56.3177.3000111.7V162 W171 Y173 F194 I204V162-L169 HydrophobicContact CG1-CD2 4.03Å; L169-W171 VanDerWaalsContact C-N 3.35Å; L169-Y173 VanDerWaalsContact O-CB 3.24Å; L169-Y173 WeakPolarHBondContact O-CB 3.33Å; L169-Y173 PolarHBondContact O-N 3.47Å; L169-F194 HydrophobicContact CD1-CD1 4.1Å; L169-F194 HydrophobicContact CD1-CE1 3.49Å; L169-F194 VanDerWaalsContact CD1-CE1 3.49Å; L169-F194 HydrophobicContact CD1-CE2 4.09Å; L169-F194 HydrophobicContact CD1-CZ 3.5Å; L169-F194 HydrophobicContact CD2-CB 4.26Å; L169-F194 HydrophobicContact CD2-CD1 3.67Å; L169-F194 HydrophobicContact CD2-CD2 3.71Å; L169-F194 HydrophobicContact CD2-CE1 3.92Å; L169-F194 HydrophobicContact CD2-CE2 3.96Å; L169-F194 HydrophobicContact CD2-CG 3.57Å; L169-F194 HydrophobicContact CD2-CZ 4.09Å; L169-F194 HydrophobicContact CG-CE1 4.36Å; L169-F194 HydrophobicContact CG-CZ 4.37Å; L169-I204 HydrophobicContact CD1-CG2 3.82Å
170R94.1Very high91.2Very high43 Ų4339.7 Ų39.716%0.16220%0.203CC..Hα-helixtrans-62.4-40.3173-68.8168-171.5135.76.2112P166 N167 I168 S174 S208 Y212P166-R170 WeakPolarHBondContact O-CD 3.43Å; P166-R170 VanDerWaalsContact O-CG 3.24Å; P166-R170 WeakPolarHBondContact O-CG 3.47Å; P166-R170 PolarHBondContact O-N 2.88Å; N167-R170 PolarHBondContact O-N 3.34Å; N167-R170 PolarHBondContact OD1-NH1 2.98Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.42Å; R170-S174 WeakPolarHBondContact O-CB 3.41Å; R170-S174 PolarHBondContact O-N 3.28Å; R170-S208 WeakPolarHBondContact CG-O 3.41Å; R170-Y212 HydrophobicContact CB-CD2 4.17Å
171W94.8Very high91.3Very high9 Ų943.7 Ų43.73%0.03421%0.21CC..Hα-helixtrans-68.4-51.2177.2179.763.9000111.7V131 S135 I145 L146 L149 N167 I168 L169 Y173 S174 L175V131-W171 HydrophobicContact CG1-CB 3.95Å; V131-W171 HydrophobicContact CG1-CG 4.04Å; V131-W171 HydrophobicContact CG2-CB 4.12Å; V131-W171 HydrophobicContact CG2-CD2 4.34Å; V131-W171 HydrophobicContact CG2-CE3 4.23Å; V131-W171 HydrophobicContact CG2-CG 4.31Å; S135-W171 PolarHBondContact OG-NE1 3.11Å; I145-W171 HydrophobicContact CB-CH2 4.26Å; I145-W171 HydrophobicContact CG2-CH2 3.53Å; I145-W171 HydrophobicContact CG2-CZ2 4.48Å; I145-W171 HydrophobicContact CG2-CZ3 3.95Å; L146-W171 HydrophobicContact CD2-CH2 4.04Å; L146-W171 HydrophobicContact CD2-CZ3 3.91Å; L146-W171 HydrophobicContact CG-CH2 4.31Å; L149-W171 HydrophobicContact CD2-CZ3 4.29Å; N167-W171 WeakPolarHBondContact O-CB 3.4Å; N167-W171 PolarHBondContact O-N 3.21Å; I168-W171 PolarHBondContact O-N 3.34Å; I168-W171 VanDerWaalsContact O-N 3.13Å; L169-W171 VanDerWaalsContact C-N 3.35Å; W171-Y173 VanDerWaalsContact C-N 3.31Å; W171-Y173 PolarHBondContact O-N 2.95Å; W171-S174 WeakPolarHBondContact O-CA 3.11Å; W171-S174 WeakPolarHBondContact O-CB 3.4Å; W171-S174 PolarHBondContact O-N 3.43Å; W171-S174 PolarHBondContact O-OG 3.28Å; W171-L175 HydrophobicContact CD2-CD1 4.22Å; W171-L175 HydrophobicContact CE3-CD1 4.39Å; W171-L175 HydrophobicContact CH2-CD1 3.92Å; W171-L175 HydrophobicContact CZ2-CD1 3.73Å; W171-L175 HydrophobicContact CZ2-CD2 4.39Å; W171-L175 HydrophobicContact CZ2-CG 4.45Å; W171-L175 HydrophobicContact CZ3-CD1 4.26Å; W171-L175 WeakPolarHBondContact O-CG 3.49Å; W171-L175 PolarHBondContact O-N 2.99Å; W171-L175 VanDerWaalsContact O-N 3.09Å
172L95.9Very high91.4Very high0 Ų047 Ų470%023%0.226CC..Hα-helixtrans-53.2-45.9173.7-72.5175.1000112.1L146 L149 I168 S174 L175 A187 L190 Q191L146-L172 HydrophobicContact CD2-CD2 3.37Å; L149-L172 HydrophobicContact CD2-CD1 4.29Å; L149-L172 HydrophobicContact CD2-CD2 4.05Å; L149-L172 HydrophobicContact CD2-CG 4.37Å; I168-L172 HydrophobicContact CG2-CD1 4.05Å; I168-L172 HydrophobicContact CG2-CG 4.29Å; I168-L172 WeakPolarHBondContact O-CB 3.3Å; I168-L172 WeakPolarHBondContact O-CG 3.18Å; I168-L172 PolarHBondContact O-N 3.08Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 2.91Å; L172-L175 PolarHBondContact O-N 3.46Å; L172-A187 HydrophobicContact CD2-CB 4.42Å; L172-L190 HydrophobicContact CD1-CB 4.1Å; L172-L190 HydrophobicContact CD2-CB 4.28Å; L172-L190 HydrophobicContact CD2-CD1 3.99Å; L172-Q191 HydrophobicContact CB-CG 3.96Å; L172-Q191 HydrophobicContact CD1-CG 4.39Å; L172-Q191 PolarHBondContact O-NE2 3.43Å
173Y95.4Very high91.5Very high1 Ų147.1 Ų47.10%0.00423%0.227CC..Hα-helixtrans-63.7-38175.7179.9-95.6000112.1L169 W171 L175 L176 F205 V209 Y212 H213 W223 Y225L169-Y173 VanDerWaalsContact O-CB 3.24Å; L169-Y173 WeakPolarHBondContact O-CB 3.33Å; L169-Y173 PolarHBondContact O-N 3.47Å; W171-Y173 VanDerWaalsContact C-N 3.31Å; W171-Y173 PolarHBondContact O-N 2.95Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.09Å; Y173-L176 HydrophobicContact CD2-CD1 3.71Å; Y173-L176 HydrophobicContact CE2-CD1 4.1Å; Y173-L176 HydrophobicContact CG-CD1 4.42Å; Y173-L176 VanDerWaalsContact O-CB 3.25Å; Y173-L176 WeakPolarHBondContact O-CB 3.45Å; Y173-L176 VanDerWaalsContact O-CG 3.27Å; Y173-L176 WeakPolarHBondContact O-CG 3.49Å; Y173-L176 PolarHBondContact O-N 3.19Å; Y173-F205 HydrophobicContact CD2-CZ 4.5Å; Y173-V209 HydrophobicContact CD2-CG2 3.69Å; Y173-V209 HydrophobicContact CE1-CG1 4.2Å; Y173-V209 HydrophobicContact CE2-CG1 3.98Å; Y173-V209 HydrophobicContact CE2-CG2 3.82Å; Y173-V209 HydrophobicContact CG-CG2 4.1Å; Y173-Y212 AromaticContact CD1-CD1 3.79Å; Y173-Y212 HydrophobicContact CD1-CD1 3.79Å; Y173-Y212 HydrophobicContact CD1-CE1 4.29Å; Y173-Y212 HydrophobicContact CD1-CG 4.17Å; Y173-Y212 AromaticContact CE1-CD1 3.84Å; Y173-Y212 HydrophobicContact CE1-CD1 3.84Å; Y173-Y212 HydrophobicContact CE1-CE1 4.31Å; Y173-H213 AromaticContact CE1-CD2 3.81Å; Y173-H213 AromaticContact CE1-NE2 3.25Å; Y173-H213 VanDerWaalsContact CE1-NE2 3.25Å; Y173-H213 WeakPolarHBondContact CE1-NE2 3.5Å; Y173-H213 AromaticContact CZ-NE2 3.47Å; Y173-H213 PolarHBondContact OH-NE2 2.67Å; Y173-W223 WeakPolarHBondContact OH-CA 3.5Å; Y173-W223 PolarHBondContact OH-N 2.98Å; Y173-Y225 AromaticContact CD1-CD2 3.82Å; Y173-Y225 HydrophobicContact CD1-CD2 3.82Å; Y173-Y225 HydrophobicContact CD1-CE2 4.17Å; Y173-Y225 AromaticContact CE1-CD2 3.3Å; Y173-Y225 HydrophobicContact CE1-CD2 3.3Å; Y173-Y225 AromaticContact CE1-CE2 3.77Å; Y173-Y225 HydrophobicContact CE1-CE2 3.77Å; Y173-Y225 HydrophobicContact CE1-CG 4.01Å; Y173-Y225 HydrophobicContact CE2-CD2 4.45Å; Y173-Y225 AromaticContact CZ-CD2 3.68Å; Y173-Y225 AromaticContact CZ-CG 3.95Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.49Å
174S93.9Very high91.8Very high25 Ų2545.9 Ų45.918%0.17522%0.221CC..Hα-helixtrans-62.7-35.4175.879.60000113.5R170 W171 L172 L176 T177 Y212R170-S174 WeakPolarHBondContact O-CB 3.41Å; R170-S174 PolarHBondContact O-N 3.28Å; W171-S174 WeakPolarHBondContact O-CA 3.11Å; W171-S174 WeakPolarHBondContact O-CB 3.4Å; W171-S174 PolarHBondContact O-N 3.43Å; W171-S174 PolarHBondContact O-OG 3.28Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 2.91Å; S174-L176 PolarHBondContact O-N 3.12Å; S174-L176 VanDerWaalsContact O-N 3.16Å; S174-T177 PolarHBondContact O-N 3.46Å; S174-T177 VanDerWaalsContact O-N 3.17Å; S174-T177 PolarHBondContact O-OG1 2.79Å; S174-Y212 WeakPolarHBondContact CB-OH 3.26Å
175L94.8Very high92.1Very high9 Ų940.4 Ų40.45%0.04720%0.195CC..G310 helixtrans-65.6-14.6178.2-65.2177.3000113.5L146 W171 L172 Y173 T177 S178 V183 A187L146-L175 HydrophobicContact CD1-CD1 4.09Å; L146-L175 HydrophobicContact CD2-CD1 3.93Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; W171-L175 HydrophobicContact CD2-CD1 4.22Å; W171-L175 HydrophobicContact CE3-CD1 4.39Å; W171-L175 HydrophobicContact CH2-CD1 3.92Å; W171-L175 HydrophobicContact CZ2-CD1 3.73Å; W171-L175 HydrophobicContact CZ2-CD2 4.39Å; W171-L175 HydrophobicContact CZ2-CG 4.45Å; W171-L175 HydrophobicContact CZ3-CD1 4.26Å; W171-L175 WeakPolarHBondContact O-CG 3.49Å; W171-L175 PolarHBondContact O-N 2.99Å; W171-L175 VanDerWaalsContact O-N 3.09Å; L172-L175 PolarHBondContact O-N 3.46Å; Y173-L175 VanDerWaalsContact C-N 3.31Å; Y173-L175 PolarHBondContact O-N 3.09Å; L175-T177 PolarHBondContact O-N 3.01Å; L175-T177 VanDerWaalsContact O-N 3.15Å; L175-S178 WeakPolarHBondContact O-CB 3.47Å; L175-S178 PolarHBondContact O-N 3.28Å; L175-V183 HydrophobicContact CB-CG1 4.2Å; L175-V183 HydrophobicContact CD1-CG1 4.2Å; L175-V183 HydrophobicContact CD2-CG1 4.18Å; L175-V183 HydrophobicContact CG-CG1 4.44Å; L175-A187 HydrophobicContact CB-CB 4.02Å; L175-A187 HydrophobicContact CD1-CB 4.44Å
176L94.5Very high92.4Very high8 Ų840.1 Ų40.14%0.04220%0.195CC..G310 helixtrans-64-13.3172.5-58-178.5000113.6Y173 S174 V184 A187 L188 L226 I229Y173-L176 HydrophobicContact CD2-CD1 3.71Å; Y173-L176 HydrophobicContact CE2-CD1 4.1Å; Y173-L176 HydrophobicContact CG-CD1 4.42Å; Y173-L176 VanDerWaalsContact O-CB 3.25Å; Y173-L176 WeakPolarHBondContact O-CB 3.45Å; Y173-L176 VanDerWaalsContact O-CG 3.27Å; Y173-L176 WeakPolarHBondContact O-CG 3.49Å; Y173-L176 PolarHBondContact O-N 3.19Å; S174-L176 PolarHBondContact O-N 3.12Å; S174-L176 VanDerWaalsContact O-N 3.16Å; L176-V184 HydrophobicContact CD2-CG1 4.21Å; L176-A187 HydrophobicContact CD2-CB 4.3Å; L176-L188 HydrophobicContact CD1-CD2 4.3Å; L176-L188 HydrophobicContact CD2-CD2 3.52Å; L176-L188 HydrophobicContact CD2-CG 3.59Å; L176-L226 HydrophobicContact CD1-CD2 3.74Å; L176-L226 HydrophobicContact CD1-CG 4.14Å; L176-I229 HydrophobicContact CB-CD1 4.18Å; L176-I229 HydrophobicContact CD2-CD1 4.4Å
177T91.9Very high92.9Very high79 Ų7939.1 Ų39.149%0.48519%0.189SC..G310 helixtrans-93.82.9170.461.30000114.3S174 L175 Y225S174-T177 PolarHBondContact O-N 3.46Å; S174-T177 VanDerWaalsContact O-N 3.17Å; S174-T177 PolarHBondContact O-OG1 2.79Å; L175-T177 PolarHBondContact O-N 3.01Å; L175-T177 VanDerWaalsContact O-N 3.15Å; T177-Y225 HydrophobicContact CG2-CD1 3.46Å; T177-Y225 VanDerWaalsContact CG2-CD1 3.46Å; T177-Y225 HydrophobicContact CG2-CD2 3.65Å; T177-Y225 HydrophobicContact CG2-CE1 3.37Å; T177-Y225 HydrophobicContact CG2-CE2 3.56Å; T177-Y225 HydrophobicContact CG2-CG 3.58Å
178S91.1Very high93.1Very high27 Ų2735.8 Ų35.819%0.18917%0.171CC..  trans-63.1140.2179.1-173.90000111.5L175 F180 V184L175-S178 WeakPolarHBondContact O-CB 3.47Å; L175-S178 PolarHBondContact O-N 3.28Å; S178-F180 PolarHBondContact O-N 3.32Å; S178-F180 PolarHBondContact OG-N 3.45Å; S178-V184 WeakPolarHBondContact O-CG2 3.3Å
179K88.9Confident93.1Very high204 Ų20435.8 Ų35.889%0.88717%0.171SC*.SBendtrans-70.7-12.1172-63-178.3-178.7178.20112.8
180F90.8Very high93.1Very high93 Ų9335.8 Ų35.841%0.40817%0.171SC..  trans-99.9102-172-58.8-77000110.2Q139 S178 L182 V183 V184Q139-F180 HydrophobicContact CB-CB 3.92Å; Q139-F180 HydrophobicContact CB-CD1 3.92Å; Q139-F180 HydrophobicContact CB-CD2 3.45Å; Q139-F180 VanDerWaalsContact CB-CD2 3.45Å; Q139-F180 HydrophobicContact CB-CE1 4.28Å; Q139-F180 HydrophobicContact CB-CE2 3.84Å; Q139-F180 HydrophobicContact CB-CG 3.47Å; Q139-F180 VanDerWaalsContact CB-CG 3.47Å; Q139-F180 HydrophobicContact CB-CZ 4.23Å; Q139-F180 HydrophobicContact CG-CB 4.35Å; Q139-F180 HydrophobicContact CG-CD1 3.6Å; Q139-F180 HydrophobicContact CG-CD2 4.05Å; Q139-F180 HydrophobicContact CG-CE1 3.77Å; Q139-F180 HydrophobicContact CG-CE2 4.2Å; Q139-F180 HydrophobicContact CG-CG 3.73Å; Q139-F180 HydrophobicContact CG-CZ 4.07Å; S178-F180 PolarHBondContact O-N 3.32Å; S178-F180 PolarHBondContact OG-N 3.45Å; F180-L182 VanDerWaalsContact C-N 3.25Å; F180-L182 PolarHBondContact O-N 2.91Å; F180-L182 VanDerWaalsContact O-N 3.09Å; F180-V183 HydrophobicContact CB-CB 4.38Å; F180-V183 HydrophobicContact CB-CG2 4Å; F180-V183 WeakPolarHBondContact O-CB 3.42Å; F180-V183 PolarHBondContact O-N 3.47Å; F180-V184 PolarHBondContact O-N 3.09Å
181R88.2Confident93.2Very high123 Ų12333.7 Ų33.746%0.46416%0.163SC..Hα-helixtrans-40.8-49.3-176.5176.6-169.8166.5138.74.2113.5V183 V184 K185 D236 E238 L239R181-V183 PolarHBondContact O-N 3.08Å; R181-V184 WeakPolarHBondContact O-CB 3.26Å; R181-V184 PolarHBondContact O-N 3Å; R181-V184 VanDerWaalsContact O-N 3.15Å; R181-K185 PolarHBondContact O-N 3.22Å; R181-D236 IonicContact CZ-OD1 3.62Å; R181-D236 IonicContact CZ-OD2 3.3Å; R181-D236 IonicContact NH1-OD2 3.62Å; R181-D236 PolarHBondContact NH1-OD2 3.22Å; R181-D236 IonicContact NH2-OD1 3.9Å; R181-D236 PolarHBondContact NH2-OD1 2.78Å; R181-D236 VanDerWaalsContact NH2-OD1 3.14Å; R181-D236 IonicContact NH2-OD2 2.64Å; R181-D236 PolarHBondContact NH2-OD2 3.27Å; R181-E238 IonicContact CZ-OE2 3.93Å; R181-E238 IonicContact NH2-OE2 3.66Å; R181-E238 PolarHBondContact NH2-OE2 2.68Å; R181-L239 HydrophobicContact CG-CD1 4.23Å
182L88.1Confident93.1Very high73 Ų7333.7 Ų33.738%0.38216%0.163SC..Hα-helixtrans-64.5-38.8-175-170.760.8000112.1N143 F180 V184 K185 T186N143-L182 WeakPolarHBondContact ND2-CD2 3.37Å; N143-L182 WeakPolarHBondContact ND2-CG 3.44Å; F180-L182 VanDerWaalsContact C-N 3.25Å; F180-L182 PolarHBondContact O-N 2.91Å; F180-L182 VanDerWaalsContact O-N 3.09Å; L182-V184 VanDerWaalsContact C-N 3.31Å; L182-V184 PolarHBondContact O-N 3.18Å; L182-K185 PolarHBondContact O-N 2.91Å; L182-T186 PolarHBondContact O-N 3.37Å; L182-T186 PolarHBondContact O-OG1 3.25Å; L182-T186 VanDerWaalsContact O-OG1 3.07Å
183V93.4Very high92.8Very high3 Ų334.7 Ų34.72%0.01817%0.169CC..Hα-helixtrans-62.3-40.1174.3-179.50000110.6Q139 Q142 L146 L175 F180 R181 A187Q139-V183 HydrophobicContact CB-CG2 4.1Å; Q142-V183 HydrophobicContact CB-CG1 4.49Å; Q142-V183 HydrophobicContact CB-CG2 4.49Å; L146-V183 HydrophobicContact CD1-CG1 3.93Å; L175-V183 HydrophobicContact CB-CG1 4.2Å; L175-V183 HydrophobicContact CD1-CG1 4.2Å; L175-V183 HydrophobicContact CD2-CG1 4.18Å; L175-V183 HydrophobicContact CG-CG1 4.44Å; F180-V183 HydrophobicContact CB-CB 4.38Å; F180-V183 HydrophobicContact CB-CG2 4Å; F180-V183 WeakPolarHBondContact O-CB 3.42Å; F180-V183 PolarHBondContact O-N 3.47Å; R181-V183 PolarHBondContact O-N 3.08Å; V183-A187 WeakPolarHBondContact O-CB 3.34Å; V183-A187 PolarHBondContact O-N 3.47Å
184V94.5Very high92.7Very high7 Ų734.7 Ų34.74%0.04217%0.169CC..Hα-helixtrans-67.5-44.7175.9-175.20000111.4L176 S178 F180 R181 L182 A187 L188 I229 L239L176-V184 HydrophobicContact CD2-CG1 4.21Å; S178-V184 WeakPolarHBondContact O-CG2 3.3Å; F180-V184 PolarHBondContact O-N 3.09Å; R181-V184 WeakPolarHBondContact O-CB 3.26Å; R181-V184 PolarHBondContact O-N 3Å; R181-V184 VanDerWaalsContact O-N 3.15Å; L182-V184 VanDerWaalsContact C-N 3.31Å; L182-V184 PolarHBondContact O-N 3.18Å; V184-A187 PolarHBondContact O-N 3.45Å; V184-L188 HydrophobicContact CG1-CD1 4.18Å; V184-L188 HydrophobicContact CG1-CG 4.47Å; V184-L188 WeakPolarHBondContact O-CB 3.3Å; V184-L188 WeakPolarHBondContact O-CG 2.81Å; V184-L188 PolarHBondContact O-N 3.49Å; V184-I229 HydrophobicContact CG1-CD1 3.82Å; V184-L239 HydrophobicContact CB-CD2 4.43Å; V184-L239 HydrophobicContact CG1-CD1 4.48Å; V184-L239 HydrophobicContact CG1-CD2 4.14Å
185K93.2Very high92.5Very high20 Ų2033.6 Ų33.69%0.08716%0.161CC..Hα-helixtrans-57.3-52.3176.8178.7173.3169.8175.30111.1R181 L182 L188 K189 E238 L239 Y242 D1420R181-K185 PolarHBondContact O-N 3.22Å; L182-K185 PolarHBondContact O-N 2.91Å; K185-L188 PolarHBondContact O-N 2.93Å; K185-K189 PolarHBondContact O-N 3.22Å; K185-E238 WeakPolarHBondContact CE-OE1 3.13Å; K185-E238 IonicContact NZ-OE1 3.88Å; K185-E238 PolarHBondContact NZ-OE1 3.37Å; K185-E238 IonicContact NZ-OE2 3.6Å; K185-E238 PolarHBondContact NZ-OE2 3.43Å; K185-L239 HydrophobicContact CB-CD2 3.89Å; K185-Y242 HydrophobicContact CG-CE2 4.32Å; K185-D1420 WeakPolarHBondContact CE-OD2 3.41Å; K185-D1420 IonicContact NZ-OD2 3Å; K185-D1420 PolarHBondContact NZ-OD2 2.75Å
186T93.1Very high92.2Very high24 Ų2435 Ų3515%0.14717%0.169CC..Hα-helixtrans-66.4-40.2-179.8-46.20000111.7L146 L182 L188 K189 L190L146-T186 HydrophobicContact CB-CG2 3.74Å; L146-T186 HydrophobicContact CD1-CG2 4.43Å; L182-T186 PolarHBondContact O-N 3.37Å; L182-T186 PolarHBondContact O-OG1 3.25Å; L182-T186 VanDerWaalsContact O-OG1 3.07Å; T186-L188 PolarHBondContact O-N 3.12Å; T186-K189 PolarHBondContact O-N 3Å; T186-L190 HydrophobicContact CG2-CD1 4.43Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 3.32Å
187A96.1Very high91.7Very high0 Ų038.6 Ų38.60%018%0.182CC..Hα-helixtrans-64.2-36.817700000112.9L172 L175 L176 V183 V184 Q191L172-A187 HydrophobicContact CD2-CB 4.42Å; L175-A187 HydrophobicContact CB-CB 4.02Å; L175-A187 HydrophobicContact CD1-CB 4.44Å; L176-A187 HydrophobicContact CD2-CB 4.3Å; V183-A187 WeakPolarHBondContact O-CB 3.34Å; V183-A187 PolarHBondContact O-N 3.47Å; V184-A187 PolarHBondContact O-N 3.45Å; A187-Q191 WeakPolarHBondContact O-CG 3.5Å; A187-Q191 PolarHBondContact O-N 3.38Å; A187-Q191 VanDerWaalsContact O-N 3.14Å; A187-Q191 PolarHBondContact O-NE2 3.01Å
188L94.9Very high91.3Very high1 Ų136.7 Ų36.71%0.00517%0.174CC..Hα-helixtrans-65.1-48171.8-76.1172.2000111.6L176 V184 K185 T186 L190 Q191 L192 L226 I229 L239 A243 L246L176-L188 HydrophobicContact CD1-CD2 4.3Å; L176-L188 HydrophobicContact CD2-CD2 3.52Å; L176-L188 HydrophobicContact CD2-CG 3.59Å; V184-L188 HydrophobicContact CG1-CD1 4.18Å; V184-L188 HydrophobicContact CG1-CG 4.47Å; V184-L188 WeakPolarHBondContact O-CB 3.3Å; V184-L188 WeakPolarHBondContact O-CG 2.81Å; V184-L188 PolarHBondContact O-N 3.49Å; K185-L188 PolarHBondContact O-N 2.93Å; T186-L188 PolarHBondContact O-N 3.12Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 3.13Å; L188-Q191 PolarHBondContact O-N 2.86Å; L188-L192 WeakPolarHBondContact O-CB 3.42Å; L188-L192 PolarHBondContact O-N 3.27Å; L188-L226 HydrophobicContact CD2-CD2 3.6Å; L188-I229 HydrophobicContact CD1-CD1 4.44Å; L188-L239 HydrophobicContact CD1-CD2 3.97Å; L188-A243 HydrophobicContact CD1-CB 4.44Å; L188-A243 HydrophobicContact CD2-CB 4.39Å; L188-L246 HydrophobicContact CD2-CD2 4.06Å
189K93.7Very high90.8Very high2 Ų242 Ų421%0.00920%0.196CC..Hα-helixtrans-58.1-41.6178.6-76.9-165.5175.3-172.30112.5K185 T186 L192 L193 Y242 D1420 L1423 D1424 L1427K185-K189 PolarHBondContact O-N 3.22Å; T186-K189 PolarHBondContact O-N 3Å; K189-L192 PolarHBondContact O-N 2.85Å; K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 3.01Å; K189-Y242 WeakPolarHBondContact CE-OH 3.49Å; K189-Y242 HydrophobicContact CG-CD1 4.37Å; K189-Y242 HydrophobicContact CG-CE1 4.14Å; K189-Y242 PolarHBondContact NZ-OH 3.04Å; K189-D1420 IonicContact NZ-OD1 2.63Å; K189-D1420 PolarHBondContact NZ-OD1 3Å; K189-D1420 IonicContact NZ-OD2 3.14Å; K189-D1420 PolarHBondContact NZ-OD2 3.47Å; K189-L1423 HydrophobicContact CB-CD2 3.88Å; K189-L1423 HydrophobicContact CD-CD2 4.29Å; K189-D1424 WeakPolarHBondContact CE-OD1 3.19Å; K189-D1424 IonicContact NZ-OD1 2.67Å; K189-D1424 PolarHBondContact NZ-OD1 3.01Å; K189-L1427 HydrophobicContact CG-CD1 4.48Å
190L94.8Very high90.4Very high0 Ų036.4 Ų36.40%017%0.174CC..Hα-helixtrans-69.2-37.8176.6-65178.7000112.9L146 L149 M153 L172 T186 L188 L192 F194 L1423L146-L190 HydrophobicContact CB-CD1 4.31Å; L146-L190 HydrophobicContact CD2-CD1 3.85Å; L149-L190 HydrophobicContact CB-CD1 4.42Å; L149-L190 HydrophobicContact CD2-CD1 4.14Å; L149-L190 HydrophobicContact CG-CD1 4.25Å; M153-L190 WeakPolarHBondContact CE-O 3.38Å; M153-L190 HydrophobicContact SD-CB 4.31Å; M153-L190 HydrophobicContact SD-CD2 4.11Å; L172-L190 HydrophobicContact CD1-CB 4.1Å; L172-L190 HydrophobicContact CD2-CB 4.28Å; L172-L190 HydrophobicContact CD2-CD1 3.99Å; T186-L190 HydrophobicContact CG2-CD1 4.43Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 3.32Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 3.13Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-F194 WeakPolarHBondContact O-CB 3.47Å; L190-F194 PolarHBondContact O-N 3.48Å; L190-L1423 HydrophobicContact CD2-CD2 4.17Å
191Q95Very high90.4Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-65.4-35.9172.6-79.116490.900112L172 A187 L188 F194 V195 F205 L246L172-Q191 HydrophobicContact CB-CG 3.96Å; L172-Q191 HydrophobicContact CD1-CG 4.39Å; L172-Q191 PolarHBondContact O-NE2 3.43Å; A187-Q191 WeakPolarHBondContact O-CG 3.5Å; A187-Q191 PolarHBondContact O-N 3.38Å; A187-Q191 VanDerWaalsContact O-N 3.14Å; A187-Q191 PolarHBondContact O-NE2 3.01Å; L188-Q191 PolarHBondContact O-N 2.86Å; Q191-F194 PolarHBondContact O-N 2.92Å; Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; Q191-V195 PolarHBondContact O-N 3.15Å; Q191-V195 VanDerWaalsContact O-N 3.15Å; Q191-F205 HydrophobicContact CB-CE2 4.38Å; Q191-F205 HydrophobicContact CG-CE2 3.97Å; Q191-F205 HydrophobicContact CG-CZ 4.45Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.28Å; Q191-L246 HydrophobicContact CB-CD1 4.14Å; Q191-L246 HydrophobicContact CB-CD2 3.74Å
192L92.5Very high90.5Very high8 Ų826.3 Ų26.34%0.04213%0.134CC..Hα-helixtrans-66.4-50.9175.3-172.661.4000110.9L188 K189 L190 F194 V195 D196 Y242 T245 L246 K249 L1427L188-L192 WeakPolarHBondContact O-CB 3.42Å; L188-L192 PolarHBondContact O-N 3.27Å; K189-L192 PolarHBondContact O-N 2.85Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L192-F194 PolarHBondContact O-N 3.13Å; L192-V195 PolarHBondContact O-N 3.49Å; L192-V195 VanDerWaalsContact O-N 3.12Å; L192-D196 WeakPolarHBondContact O-CB 3.43Å; L192-D196 PolarHBondContact O-N 3.13Å; L192-Y242 HydrophobicContact CD2-CD1 4.34Å; L192-T245 HydrophobicContact CD1-CG2 4.1Å; L192-T245 HydrophobicContact CD2-CG2 4.24Å; L192-L246 HydrophobicContact CD1-CB 4.35Å; L192-L246 HydrophobicContact CD1-CD1 4.49Å; L192-K249 HydrophobicContact CD1-CB 4.46Å; L192-K249 HydrophobicContact CD1-CD 3.95Å; L192-K249 HydrophobicContact CD1-CG 4.26Å; L192-L1427 HydrophobicContact CB-CD2 4.34Å; L192-L1427 HydrophobicContact CD2-CD1 4.27Å; L192-L1427 HydrophobicContact CD2-CD2 3.75Å; L192-L1427 HydrophobicContact CG-CD2 3.76Å
193L90.5Very high90.6Very high22 Ų2223.1 Ų23.112%0.11512%0.117CC..Hα-helixtrans-54.1-38.9173.6-177.765.6000112.1M153 K189 Y197 C1426M153-L193 HydrophobicContact CB-CD2 4Å; M153-L193 HydrophobicContact CE-CB 4.46Å; M153-L193 HydrophobicContact CE-CD2 4.27Å; M153-L193 HydrophobicContact CE-CG 4.35Å; K189-L193 WeakPolarHBondContact O-CB 3.34Å; K189-L193 PolarHBondContact O-N 3.01Å; L193-Y197 PolarHBondContact O-N 2.82Å; L193-C1426 HydrophobicContact CD1-CB 4.48Å
194F92.7Very high90.4Very high0 Ų023.9 Ų23.90%012%0.121CC..Hα-helixtrans-62.7-47.4176.6-179.2-97.7000112.9M153 M159 V162 I163 L169 L190 Q191 L192 N201 I204 F205M153-F194 HydrophobicContact CE-CB 3.9Å; M153-F194 HydrophobicContact CE-CD2 4.46Å; M159-F194 HydrophobicContact CE-CB 4.35Å; M159-F194 HydrophobicContact CE-CD2 3.55Å; M159-F194 HydrophobicContact CE-CE2 4.06Å; M159-F194 HydrophobicContact CE-CG 4.18Å; M159-F194 WeakPolarHBondContact CE-O 3.44Å; M159-F194 HydrophobicContact SD-CD2 4.01Å; V162-F194 HydrophobicContact CG1-CD2 3.67Å; V162-F194 HydrophobicContact CG1-CE2 3.87Å; I163-F194 HydrophobicContact CB-CE2 4.34Å; I163-F194 HydrophobicContact CG1-CE2 3.58Å; I163-F194 HydrophobicContact CG1-CZ 4.05Å; L169-F194 HydrophobicContact CD1-CD1 4.1Å; L169-F194 HydrophobicContact CD1-CE1 3.49Å; L169-F194 VanDerWaalsContact CD1-CE1 3.49Å; L169-F194 HydrophobicContact CD1-CE2 4.09Å; L169-F194 HydrophobicContact CD1-CZ 3.5Å; L169-F194 HydrophobicContact CD2-CB 4.26Å; L169-F194 HydrophobicContact CD2-CD1 3.67Å; L169-F194 HydrophobicContact CD2-CD2 3.71Å; L169-F194 HydrophobicContact CD2-CE1 3.92Å; L169-F194 HydrophobicContact CD2-CE2 3.96Å; L169-F194 HydrophobicContact CD2-CG 3.57Å; L169-F194 HydrophobicContact CD2-CZ 4.09Å; L169-F194 HydrophobicContact CG-CE1 4.36Å; L169-F194 HydrophobicContact CG-CZ 4.37Å; L190-F194 WeakPolarHBondContact O-CB 3.47Å; L190-F194 PolarHBondContact O-N 3.48Å; Q191-F194 PolarHBondContact O-N 2.92Å; L192-F194 PolarHBondContact O-N 3.13Å; F194-N201 HydrophobicContact CD1-CB 4.09Å; F194-N201 HydrophobicContact CE1-CB 3.64Å; F194-N201 WeakPolarHBondContact CE1-O 3.34Å; F194-N201 HydrophobicContact CZ-CB 3.93Å; F194-N201 VanDerWaalsContact O-CB 3.27Å; F194-N201 WeakPolarHBondContact O-CB 3.36Å; F194-N201 PolarHBondContact O-ND2 3.27Å; F194-I204 HydrophobicContact CE1-CB 4.32Å; F194-I204 HydrophobicContact CE1-CG2 4.42Å; F194-I204 HydrophobicContact CZ-CB 4.28Å; F194-I204 HydrophobicContact CZ-CG2 4.11Å; F194-F205 HydrophobicContact CD1-CB 4.34Å; F194-F205 HydrophobicContact CE1-CB 4.29Å
195V90.7Very high90.4Very high2 Ų223.6 Ų23.61%0.01212%0.119CC..Hα-helixtrans-72.6-29.3-177.8171.70000112.1Q191 L192 A202 F205 L246 K249Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; Q191-V195 PolarHBondContact O-N 3.15Å; Q191-V195 VanDerWaalsContact O-N 3.15Å; L192-V195 PolarHBondContact O-N 3.49Å; L192-V195 VanDerWaalsContact O-N 3.12Å; V195-A202 HydrophobicContact CG1-CB 4.19Å; V195-F205 HydrophobicContact CG2-CB 3.9Å; V195-F205 HydrophobicContact CG2-CD1 3.74Å; V195-F205 HydrophobicContact CG2-CG 3.9Å; V195-L246 HydrophobicContact CB-CD1 4.41Å; V195-L246 HydrophobicContact CG2-CD1 3.99Å; V195-K249 HydrophobicContact CG1-CB 4.16Å
196D86.9Confident90.4Very high40 Ų4022.7 Ų22.721%0.21412%0.115CC..Hα-helixtrans-74.3-32.7-176.6-138.89.8000113.7L192 A198 K249 S1430L192-D196 WeakPolarHBondContact O-CB 3.43Å; L192-D196 PolarHBondContact O-N 3.13Å; D196-A198 VanDerWaalsContact C-N 3.31Å; D196-A198 PolarHBondContact O-N 3.22Å; D196-K249 VanDerWaalsContact OD1-CD 3.26Å; D196-K249 WeakPolarHBondContact OD1-CD 3.46Å; D196-K249 WeakPolarHBondContact OD1-CE 3.48Å; D196-K249 IonicContact OD1-NZ 3.36Å; D196-K249 PolarHBondContact OD1-NZ 2.93Å; D196-K249 IonicContact OD2-NZ 3.78Å; D196-K249 PolarHBondContact OD2-NZ 3.47Å; D196-S1430 VanDerWaalsContact OD2-CB 3.31Å; D196-S1430 WeakPolarHBondContact OD2-CB 3.29Å
197Y84.8Confident90.3Very high83 Ų8324.2 Ų24.233%0.32512%0.12SC..SBendtrans-61-32.4-173.5177.2-101000114.8M159 I163 L193 I1318M159-Y197 HydrophobicContact CE-CD1 3.66Å; M159-Y197 HydrophobicContact CE-CD2 4.47Å; M159-Y197 HydrophobicContact CE-CG 3.58Å; M159-Y197 HydrophobicContact CG-CD1 3.78Å; M159-Y197 HydrophobicContact CG-CD2 3.92Å; M159-Y197 HydrophobicContact CG-CE1 3.87Å; M159-Y197 HydrophobicContact CG-CE2 4.03Å; M159-Y197 HydrophobicContact CG-CG 3.78Å; I163-Y197 HydrophobicContact CD1-CD1 3.88Å; I163-Y197 HydrophobicContact CD1-CE1 3.79Å; L193-Y197 PolarHBondContact O-N 2.82Å; Y197-I1318 HydrophobicContact CD2-CD1 3.81Å; Y197-I1318 HydrophobicContact CD2-CG1 4.33Å; Y197-I1318 HydrophobicContact CD2-CG2 3.89Å; Y197-I1318 HydrophobicContact CE2-CB 4.4Å; Y197-I1318 HydrophobicContact CE2-CD1 3.64Å; Y197-I1318 HydrophobicContact CE2-CG1 3.77Å; Y197-I1318 HydrophobicContact CE2-CG2 3.74Å
198A83.2Confident90.1Very high38 Ų3824.3 Ų24.331%0.31412%0.121SC..  trans-159.9137.9178.800000110.7D196 M200 N201D196-A198 VanDerWaalsContact C-N 3.31Å; D196-A198 PolarHBondContact O-N 3.22Å; A198-M200 PolarHBondContact O-N 3.03Å; A198-M200 VanDerWaalsContact O-N 3.1Å; A198-N201 VanDerWaalsContact O-CB 3.27Å; A198-N201 WeakPolarHBondContact O-CB 3.49Å; A198-N201 PolarHBondContact O-N 3.37Å
199E80.4Confident90Very high138 Ų13824.3 Ų24.365%0.64512%0.12SC*.THydrogen-bonded Turntrans-53.2-39.2-177.5-62-169.7171.700113.1N201 A202E199-N201 PolarHBondContact O-N 2.76Å; E199-A202 WeakPolarHBondContact O-CB 3.39Å; E199-A202 PolarHBondContact O-N 3.32Å
200M81.8Confident89.9Confident87 Ų8727.1 Ų27.143%0.42913%0.134SC..THydrogen-bonded Turntrans-63.3-23.8179.5-66.8179.865.200113.6A198 A202 M203 I204 L341A198-M200 PolarHBondContact O-N 3.03Å; A198-M200 VanDerWaalsContact O-N 3.1Å; M200-A202 PolarHBondContact O-N 3.17Å; M200-M203 WeakPolarHBondContact O-CB 3.44Å; M200-M203 PolarHBondContact O-N 3.26Å; M200-M203 VanDerWaalsContact O-N 3.07Å; M200-I204 PolarHBondContact O-N 2.98Å; M200-L341 HydrophobicContact CE-CB 3.82Å; M200-L341 HydrophobicContact CE-CD1 4.28Å; M200-L341 HydrophobicContact CE-CG 4.05Å
201N89.5Confident89.7Confident4 Ų427.9 Ų27.92%0.02114%0.14CC..Hα-helixtrans-64.7-28.3178.9-72.40.5000112.1M159 F194 A198 E199 M203 I204 F205M159-N201 VanDerWaalsContact CE-ND2 3.27Å; M159-N201 WeakPolarHBondContact CE-ND2 3.35Å; F194-N201 HydrophobicContact CD1-CB 4.09Å; F194-N201 HydrophobicContact CE1-CB 3.64Å; F194-N201 WeakPolarHBondContact CE1-O 3.34Å; F194-N201 HydrophobicContact CZ-CB 3.93Å; F194-N201 VanDerWaalsContact O-CB 3.27Å; F194-N201 WeakPolarHBondContact O-CB 3.36Å; F194-N201 PolarHBondContact O-ND2 3.27Å; A198-N201 VanDerWaalsContact O-CB 3.27Å; A198-N201 WeakPolarHBondContact O-CB 3.49Å; A198-N201 PolarHBondContact O-N 3.37Å; E199-N201 PolarHBondContact O-N 2.76Å; N201-M203 PolarHBondContact O-N 3.09Å; N201-I204 PolarHBondContact O-N 3.31Å; N201-I204 VanDerWaalsContact O-N 3.11Å; N201-F205 WeakPolarHBondContact O-CB 3.13Å; N201-F205 PolarHBondContact O-N 2.81Å
202A90.8Very high89.5Confident0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-56.5-39.9172.300000111.9V195 E199 M200 F205 V206 T250V195-A202 HydrophobicContact CG1-CB 4.19Å; E199-A202 WeakPolarHBondContact O-CB 3.39Å; E199-A202 PolarHBondContact O-N 3.32Å; M200-A202 PolarHBondContact O-N 3.17Å; A202-F205 PolarHBondContact O-N 3.4Å; A202-V206 WeakPolarHBondContact O-CB 3.38Å; A202-V206 WeakPolarHBondContact O-CG2 3.09Å; A202-V206 PolarHBondContact O-N 3.49Å; A202-T250 HydrophobicContact CB-CG2 4.26Å
203M89.8Confident89.4Confident6 Ų630 Ų303%0.0315%0.148CC..Hα-helixtrans-71-31.5177.8-68.9-64.8-73.200112.8M200 N201 K207 I254 P255 T259 L341M200-M203 WeakPolarHBondContact O-CB 3.44Å; M200-M203 PolarHBondContact O-N 3.26Å; M200-M203 VanDerWaalsContact O-N 3.07Å; N201-M203 PolarHBondContact O-N 3.09Å; M203-K207 WeakPolarHBondContact O-CB 3.48Å; M203-K207 WeakPolarHBondContact O-CG 3.27Å; M203-K207 PolarHBondContact O-N 3.15Å; M203-I254 HydrophobicContact SD-CG1 4.11Å; M203-I254 HydrophobicContact SD-CG2 4.27Å; M203-P255 HydrophobicContact CG-CG 4.37Å; M203-T259 HydrophobicContact CE-CG2 4.03Å; M203-T259 HydrophobicContact SD-CG2 3.93Å; M203-L341 HydrophobicContact CB-CD1 4.46Å; M203-L341 HydrophobicContact CG-CD1 4.32Å
204I90.3Very high89.3Confident19 Ų1932.5 Ų32.510%0.09717%0.172CC..Hα-helixtrans-71.6-39.8174.2-57.4175.7000110.1I163 L169 F194 M200 N201 S208I163-I204 HydrophobicContact CG2-CD1 3.74Å; L169-I204 HydrophobicContact CD1-CG2 3.82Å; F194-I204 HydrophobicContact CE1-CB 4.32Å; F194-I204 HydrophobicContact CE1-CG2 4.42Å; F194-I204 HydrophobicContact CZ-CB 4.28Å; F194-I204 HydrophobicContact CZ-CG2 4.11Å; M200-I204 PolarHBondContact O-N 2.98Å; N201-I204 PolarHBondContact O-N 3.31Å; N201-I204 VanDerWaalsContact O-N 3.11Å; I204-S208 WeakPolarHBondContact O-CB 3.38Å; I204-S208 PolarHBondContact O-N 3.43Å; I204-S208 PolarHBondContact O-OG 2.87Å
205F94Very high89Confident1 Ų137.2 Ų37.20%0.00420%0.197CC..Hα-helixtrans-65.5-50.5175.8180-123.4000112.1Y173 Q191 F194 V195 N201 A202 K207 S208 V209 W223 L246 T250Y173-F205 HydrophobicContact CD2-CZ 4.5Å; Q191-F205 HydrophobicContact CB-CE2 4.38Å; Q191-F205 HydrophobicContact CG-CE2 3.97Å; Q191-F205 HydrophobicContact CG-CZ 4.45Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.28Å; F194-F205 HydrophobicContact CD1-CB 4.34Å; F194-F205 HydrophobicContact CE1-CB 4.29Å; V195-F205 HydrophobicContact CG2-CB 3.9Å; V195-F205 HydrophobicContact CG2-CD1 3.74Å; V195-F205 HydrophobicContact CG2-CG 3.9Å; N201-F205 WeakPolarHBondContact O-CB 3.13Å; N201-F205 PolarHBondContact O-N 2.81Å; A202-F205 PolarHBondContact O-N 3.4Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.05Å; F205-S208 WeakPolarHBondContact O-CA 3.4Å; F205-S208 WeakPolarHBondContact O-CB 3.33Å; F205-S208 PolarHBondContact O-N 3.37Å; F205-V209 HydrophobicContact CD2-CG2 4.35Å; F205-V209 HydrophobicContact CE1-CG2 4.48Å; F205-V209 HydrophobicContact CE2-CG2 3.93Å; F205-V209 HydrophobicContact CZ-CG2 4Å; F205-V209 PolarHBondContact O-N 2.97Å; F205-W223 HydrophobicContact CD1-CH2 4.33Å; F205-W223 HydrophobicContact CD1-CZ3 4.38Å; F205-W223 HydrophobicContact CE1-CH2 4.2Å; F205-W223 AromaticContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CZ-CZ3 4.41Å; F205-L246 HydrophobicContact CD1-CD1 4.46Å; F205-L246 HydrophobicContact CE1-CD1 3.88Å; F205-L246 HydrophobicContact CE1-CD2 4.22Å; F205-L246 HydrophobicContact CE1-CG 4.05Å; F205-L246 HydrophobicContact CZ-CD1 4.29Å; F205-L246 HydrophobicContact CZ-CD2 3.99Å; F205-L246 HydrophobicContact CZ-CG 4.33Å; F205-T250 HydrophobicContact CD1-CG2 4.01Å
206V93Very high88.7Confident1 Ų139 Ų391%0.00621%0.208CC..Hα-helixtrans-50-51174.2167.20000111A202 S208 V209 E210 W223 T250 I254 T259 V263A202-V206 WeakPolarHBondContact O-CB 3.38Å; A202-V206 WeakPolarHBondContact O-CG2 3.09Å; A202-V206 PolarHBondContact O-N 3.49Å; V206-S208 VanDerWaalsContact C-N 3.3Å; V206-S208 PolarHBondContact O-N 3.1Å; V206-V209 PolarHBondContact O-N 2.97Å; V206-E210 WeakPolarHBondContact O-CG 3.38Å; V206-E210 PolarHBondContact O-N 2.88Å; V206-W223 HydrophobicContact CB-CH2 4.41Å; V206-W223 HydrophobicContact CB-CZ2 4.2Å; V206-W223 HydrophobicContact CG1-CZ2 4.22Å; V206-W223 HydrophobicContact CG2-CH2 3.84Å; V206-W223 HydrophobicContact CG2-CZ2 3.82Å; V206-T250 HydrophobicContact CG2-CG2 3.69Å; V206-I254 HydrophobicContact CG2-CD1 4.26Å; V206-T259 HydrophobicContact CG1-CG2 4.47Å; V206-V263 HydrophobicContact CG1-CG2 4.06Å; V206-V263 HydrophobicContact CG2-CG2 4.28Å
207K91Very high88.1Confident57 Ų5742.6 Ų42.625%0.24823%0.234CC..Hα-helixtrans-71.1-24.6-179.1-68.4179-176.8-174.20113.3M203 F205 A211 M345M203-K207 WeakPolarHBondContact O-CB 3.48Å; M203-K207 WeakPolarHBondContact O-CG 3.27Å; M203-K207 PolarHBondContact O-N 3.15Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.05Å; K207-A211 WeakPolarHBondContact O-CB 3.2Å; K207-A211 PolarHBondContact O-N 3.37Å; K207-M345 HydrophobicContact CD-CE 3.65Å; K207-M345 HydrophobicContact CD-SD 3.72Å; K207-M345 PolarHBondContact NZ-SD 3.47Å
208S91.9Very high87.9Confident2 Ų245.1 Ų45.11%0.01426%0.258CS..Hα-helixtrans-70.7-41.5171.7-630000111.6R170 I204 F205 V206 Y212R170-S208 WeakPolarHBondContact CG-O 3.41Å; I204-S208 WeakPolarHBondContact O-CB 3.38Å; I204-S208 PolarHBondContact O-N 3.43Å; I204-S208 PolarHBondContact O-OG 2.87Å; F205-S208 WeakPolarHBondContact O-CA 3.4Å; F205-S208 WeakPolarHBondContact O-CB 3.33Å; F205-S208 PolarHBondContact O-N 3.37Å; V206-S208 VanDerWaalsContact C-N 3.3Å; V206-S208 PolarHBondContact O-N 3.1Å; S208-Y212 WeakPolarHBondContact O-CB 3.48Å; S208-Y212 PolarHBondContact O-N 2.99Å
209V93.3Very high87.8Confident0 Ų043.9 Ų43.90%025%0.247CC..Hα-helixtrans-62.7-49.4172.5175.20000110.9Y173 F205 V206 A211 Y212 H213 P222 W223Y173-V209 HydrophobicContact CD2-CG2 3.69Å; Y173-V209 HydrophobicContact CE1-CG1 4.2Å; Y173-V209 HydrophobicContact CE2-CG1 3.98Å; Y173-V209 HydrophobicContact CE2-CG2 3.82Å; Y173-V209 HydrophobicContact CG-CG2 4.1Å; F205-V209 HydrophobicContact CD2-CG2 4.35Å; F205-V209 HydrophobicContact CE1-CG2 4.48Å; F205-V209 HydrophobicContact CE2-CG2 3.93Å; F205-V209 HydrophobicContact CZ-CG2 4Å; F205-V209 PolarHBondContact O-N 2.97Å; V206-V209 PolarHBondContact O-N 2.97Å; V209-A211 PolarHBondContact O-N 2.88Å; V209-Y212 PolarHBondContact O-N 3.15Å; V209-H213 PolarHBondContact O-CD2 2.94Å; V209-H213 PolarHBondContact O-N 3.38Å; V209-H213 VanDerWaalsContact O-N 3.16Å; V209-P222 HydrophobicContact CG1-CB 4.35Å; V209-W223 HydrophobicContact CB-CH2 4.42Å; V209-W223 HydrophobicContact CB-CZ2 4.44Å; V209-W223 HydrophobicContact CG1-CD2 4.14Å; V209-W223 HydrophobicContact CG1-CE3 4.34Å; V209-W223 HydrophobicContact CG1-CZ2 4.46Å; V209-W223 HydrophobicContact CG2-CH2 4.18Å; V209-W223 HydrophobicContact CG2-CZ3 4.12Å
210E91.1Very high88Confident62 Ų6239.5 Ų39.529%0.2924%0.239SC..Hα-helixtrans-57.7-47.9176.8-70.8-173.614200112V206 Y212 H213 A214V206-E210 WeakPolarHBondContact O-CG 3.38Å; V206-E210 PolarHBondContact O-N 2.88Å; E210-Y212 PolarHBondContact O-N 3.04Å; E210-H213 PolarHBondContact O-N 3.36Å; E210-A214 WeakPolarHBondContact O-CB 3.39Å; E210-A214 PolarHBondContact O-N 3.03Å
211A89.8Confident88.2Confident16 Ų1641.1 Ų41.113%0.13224%0.241CC..Hα-helixtrans-65.9-34.817900000113.1K207 V209 N215 M354K207-A211 WeakPolarHBondContact O-CB 3.2Å; K207-A211 PolarHBondContact O-N 3.37Å; V209-A211 PolarHBondContact O-N 2.88Å; A211-N215 WeakPolarHBondContact O-CB 3.41Å; A211-N215 VanDerWaalsContact O-CG 3.24Å; A211-N215 PolarHBondContact O-N 2.95Å; A211-N215 PolarHBondContact O-ND2 3.23Å; A211-M354 HydrophobicContact CB-CE 4.5Å
212Y91.7Very high88.2Confident40 Ų4042.7 Ų42.716%0.15725%0.251CS..Hα-helixtrans-60.9-49174.7178.5-97.7000111.3R170 Y173 S174 S208 V209 E210 N215 T216 Y225R170-Y212 HydrophobicContact CB-CD2 4.17Å; Y173-Y212 AromaticContact CD1-CD1 3.79Å; Y173-Y212 HydrophobicContact CD1-CD1 3.79Å; Y173-Y212 HydrophobicContact CD1-CE1 4.29Å; Y173-Y212 HydrophobicContact CD1-CG 4.17Å; Y173-Y212 AromaticContact CE1-CD1 3.84Å; Y173-Y212 HydrophobicContact CE1-CD1 3.84Å; Y173-Y212 HydrophobicContact CE1-CE1 4.31Å; S174-Y212 WeakPolarHBondContact CB-OH 3.26Å; S208-Y212 WeakPolarHBondContact O-CB 3.48Å; S208-Y212 PolarHBondContact O-N 2.99Å; V209-Y212 PolarHBondContact O-N 3.15Å; E210-Y212 PolarHBondContact O-N 3.04Å; Y212-N215 PolarHBondContact O-N 3.21Å; Y212-T216 WeakPolarHBondContact O-CB 3.26Å; Y212-T216 PolarHBondContact O-N 2.61Å; Y212-T216 PolarHBondContact O-OG1 3.05Å; Y212-Y225 HydrophobicContact CD1-CE2 4.37Å; Y212-Y225 AromaticContact CE1-CE2 3.56Å; Y212-Y225 HydrophobicContact CE1-CE2 3.56Å; Y212-Y225 AromaticContact CE1-CZ 3.91Å
213H90.4Very high88.3Confident11 Ų1142.9 Ų42.95%0.05125%0.252CS..Hα-helixtrans-70.3-34.7179.8-77.5-80.8000112.7Y173 V209 E210 T216 S219 G220 R221 P222 S224Y173-H213 AromaticContact CE1-CD2 3.81Å; Y173-H213 AromaticContact CE1-NE2 3.25Å; Y173-H213 VanDerWaalsContact CE1-NE2 3.25Å; Y173-H213 WeakPolarHBondContact CE1-NE2 3.5Å; Y173-H213 AromaticContact CZ-NE2 3.47Å; Y173-H213 PolarHBondContact OH-NE2 2.67Å; V209-H213 PolarHBondContact O-CD2 2.94Å; V209-H213 PolarHBondContact O-N 3.38Å; V209-H213 VanDerWaalsContact O-N 3.16Å; E210-H213 PolarHBondContact O-N 3.36Å; H213-T216 CarbonylContact O-C 3.47Å; H213-T216 PolarHBondContact O-N 3.36Å; H213-S219 PolarHBondContact CE1-O 2.96Å; H213-S219 PolarHBondContact ND1-OG 3.48Å; H213-G220 PolarHBondContact ND1-O 3.39Å; H213-G220 VanDerWaalsContact ND1-O 3.1Å; H213-R221 PolarHBondContact CE1-O 3.04Å; H213-R221 PolarHBondContact ND1-O 3.24Å; H213-R221 PolarHBondContact NE2-O 3.06Å; H213-P222 HydrophobicContact CB-CG 4.18Å; H213-P222 VanDerWaalsContact CD2-CA 3.44Å; H213-P222 WeakPolarHBondContact CD2-CA 2.94Å; H213-S224 PolarHBondContact CE1-OG 3.42Å
214A88.4Confident88.5Confident76 Ų7643.3 Ų43.363%0.62826%0.255SS*.Hα-helixtrans-63.7-41.4173.800000112.7E210E210-A214 WeakPolarHBondContact O-CB 3.39Å; E210-A214 PolarHBondContact O-N 3.03Å
215N85.8Confident88.6Confident98 Ų9843.4 Ų43.452%0.52425%0.254SS..Hα-helixtrans-80.1-17.7178.7-68-20.1000113.6A211 Y212 P217 M354A211-N215 WeakPolarHBondContact O-CB 3.41Å; A211-N215 VanDerWaalsContact O-CG 3.24Å; A211-N215 PolarHBondContact O-N 2.95Å; A211-N215 PolarHBondContact O-ND2 3.23Å; Y212-N215 PolarHBondContact O-N 3.21Å; N215-P217 WeakPolarHBondContact O-CD 3.5Å; N215-M354 WeakPolarHBondContact ND2-CE 3.48Å
216T85.5Confident88.6Confident40 Ų4043.3 Ų43.325%0.24525%0.254CS..  trans-124.176.1-173.9-40.90000110.7Y212 H213 T218 S219Y212-T216 WeakPolarHBondContact O-CB 3.26Å; Y212-T216 PolarHBondContact O-N 2.61Å; Y212-T216 PolarHBondContact O-OG1 3.05Å; H213-T216 CarbonylContact O-C 3.47Å; H213-T216 PolarHBondContact O-N 3.36Å; T216-T218 PolarHBondContact O-N 3.02Å; T216-S219 VanDerWaalsContact O-CB 3.23Å; T216-S219 WeakPolarHBondContact O-CB 2.83Å; T216-S219 PolarHBondContact O-N 3.29Å; T216-S219 PolarHBondContact O-OG 2.88Å
217P74Confident88.7Confident116 Ų11643.7 Ų43.775%0.75326%0.256SS*.G310 helixtrans-60-21-170.8-26.835.9000115.6N215 S219N215-P217 WeakPolarHBondContact O-CD 3.5Å; P217-S219 VanDerWaalsContact C-N 3.33Å
218T80.9Confident88.7Confident136 Ų13645.5 Ų45.583%0.83427%0.268SS*.G310 helixtrans-77.6-13.1175.348.20000114.2T216 G220T216-T218 PolarHBondContact O-N 3.02Å; T218-G220 VanDerWaalsContact C-N 3.25Å; T218-G220 PolarHBondContact O-N 3.34Å
219S80.2Confident88.7Confident11 Ų1146.1 Ų46.18%0.07727%0.271CS..G310 helixtrans-72.7-12.6-177.8630000114.4H213 T216 P217 Y225H213-S219 PolarHBondContact CE1-O 2.96Å; H213-S219 PolarHBondContact ND1-OG 3.48Å; T216-S219 VanDerWaalsContact O-CB 3.23Å; T216-S219 WeakPolarHBondContact O-CB 2.83Å; T216-S219 PolarHBondContact O-N 3.29Å; T216-S219 PolarHBondContact O-OG 2.88Å; P217-S219 VanDerWaalsContact C-N 3.33Å; S219-Y225 WeakPolarHBondContact CB-OH 3.46Å; S219-Y225 VanDerWaalsContact O-CE1 3.25Å; S219-Y225 WeakPolarHBondContact O-CE1 3.48Å
220G84.2Confident88.7Confident47 Ų4746.2 Ų46.249%0.48527%0.272SS..  trans88.1-151.3-173.900000112.7H213 T218H213-G220 PolarHBondContact ND1-O 3.39Å; H213-G220 VanDerWaalsContact ND1-O 3.1Å; T218-G220 VanDerWaalsContact C-N 3.25Å; T218-G220 PolarHBondContact O-N 3.34Å
221R87Confident88.6Confident121 Ų12148 Ų4846%0.45728%0.283SS..SBendtrans-88.3154.2-178.7-71.1174.1163.2-141.5-4.9111.6H213 S224 E269 M270H213-R221 PolarHBondContact CE1-O 3.04Å; H213-R221 PolarHBondContact ND1-O 3.24Å; H213-R221 PolarHBondContact NE2-O 3.06Å; R221-S224 WeakPolarHBondContact O-CB 3.4Å; R221-S224 PolarHBondContact O-N 3.1Å; R221-S224 VanDerWaalsContact O-N 3.15Å; R221-S224 PolarHBondContact O-OG 3.11Å; R221-E269 IonicContact CZ-OE2 3.06Å; R221-E269 IonicContact NH1-OE2 3.31Å; R221-E269 PolarHBondContact NH1-OE2 3.39Å; R221-E269 IonicContact NH2-OE2 2.69Å; R221-E269 PolarHBondContact NH2-OE2 2.93Å; R221-E269 VanDerWaalsContact NH2-OE2 3.09Å; R221-M270 HydrophobicContact CB-SD 3.93Å
222P89.6Confident88.4Confident37 Ų3750.9 Ų50.924%0.2430%0.296CS..THydrogen-bonded Turntrans-43.4142.5167.2-29.836.7000112.7V209 H213 S224 M270V209-P222 HydrophobicContact CG1-CB 4.35Å; H213-P222 HydrophobicContact CB-CG 4.18Å; H213-P222 VanDerWaalsContact CD2-CA 3.44Å; H213-P222 WeakPolarHBondContact CD2-CA 2.94Å; P222-S224 PolarHBondContact O-N 2.8Å; P222-M270 WeakPolarHBondContact O-CE 3.37Å
223W93.2Very high87.5Confident4 Ų455.4 Ų55.42%0.01532%0.319CS..THydrogen-bonded Turntrans65.4-4.5-179.3-43.898.8000116.6Y173 F205 V206 V209 Y225 L226 I227 L247 T250 V263 L267 M270Y173-W223 WeakPolarHBondContact OH-CA 3.5Å; Y173-W223 PolarHBondContact OH-N 2.98Å; F205-W223 HydrophobicContact CD1-CH2 4.33Å; F205-W223 HydrophobicContact CD1-CZ3 4.38Å; F205-W223 HydrophobicContact CE1-CH2 4.2Å; F205-W223 AromaticContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CZ-CZ3 4.41Å; V206-W223 HydrophobicContact CB-CH2 4.41Å; V206-W223 HydrophobicContact CB-CZ2 4.2Å; V206-W223 HydrophobicContact CG1-CZ2 4.22Å; V206-W223 HydrophobicContact CG2-CH2 3.84Å; V206-W223 HydrophobicContact CG2-CZ2 3.82Å; V209-W223 HydrophobicContact CB-CH2 4.42Å; V209-W223 HydrophobicContact CB-CZ2 4.44Å; V209-W223 HydrophobicContact CG1-CD2 4.14Å; V209-W223 HydrophobicContact CG1-CE3 4.34Å; V209-W223 HydrophobicContact CG1-CZ2 4.46Å; V209-W223 HydrophobicContact CG2-CH2 4.18Å; V209-W223 HydrophobicContact CG2-CZ3 4.12Å; W223-Y225 PolarHBondContact O-N 3.33Å; W223-Y225 VanDerWaalsContact O-N 3.08Å; W223-L226 HydrophobicContact CE3-CD1 4.14Å; W223-L226 HydrophobicContact CZ3-CD1 4.46Å; W223-L226 PolarHBondContact O-N 3.22Å; W223-L226 VanDerWaalsContact O-N 3.17Å; W223-I227 PolarHBondContact O-N 3.33Å; W223-I227 VanDerWaalsContact O-N 3.11Å; W223-L247 HydrophobicContact CE3-CD2 3.81Å; W223-L247 HydrophobicContact CZ3-CD2 4.21Å; W223-T250 HydrophobicContact CH2-CG2 4.11Å; W223-V263 HydrophobicContact CD2-CG1 4.44Å; W223-V263 HydrophobicContact CZ2-CG1 3.96Å; W223-V263 HydrophobicContact CZ2-CG2 4.06Å; W223-L267 HydrophobicContact CB-CD2 3.55Å; W223-L267 HydrophobicContact CG-CD2 3.97Å; W223-M270 HydrophobicContact CB-CE 3.86Å
224S92.7Very high86.7Confident14 Ų1459.1 Ų59.110%0.09835%0.352CS..Hα-helixtrans-58.9-25.6-177.157.70000114H213 R221 P222 N228H213-S224 PolarHBondContact CE1-OG 3.42Å; R221-S224 WeakPolarHBondContact O-CB 3.4Å; R221-S224 PolarHBondContact O-N 3.1Å; R221-S224 VanDerWaalsContact O-N 3.15Å; R221-S224 PolarHBondContact O-OG 3.11Å; P222-S224 PolarHBondContact O-N 2.8Å; S224-N228 WeakPolarHBondContact O-CB 3.28Å; S224-N228 PolarHBondContact O-N 2.81Å; S224-N228 PolarHBondContact O-ND2 2.65Å
225Y93.9Very high86.3Confident21 Ų2156.5 Ų56.58%0.08233%0.329CS..Hα-helixtrans-71.3-42.6178.5-63.6-7.8000112.2Y173 T177 Y212 S219 W223 N228 I229Y173-Y225 AromaticContact CD1-CD2 3.82Å; Y173-Y225 HydrophobicContact CD1-CD2 3.82Å; Y173-Y225 HydrophobicContact CD1-CE2 4.17Å; Y173-Y225 AromaticContact CE1-CD2 3.3Å; Y173-Y225 HydrophobicContact CE1-CD2 3.3Å; Y173-Y225 AromaticContact CE1-CE2 3.77Å; Y173-Y225 HydrophobicContact CE1-CE2 3.77Å; Y173-Y225 HydrophobicContact CE1-CG 4.01Å; Y173-Y225 HydrophobicContact CE2-CD2 4.45Å; Y173-Y225 AromaticContact CZ-CD2 3.68Å; Y173-Y225 AromaticContact CZ-CG 3.95Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.49Å; T177-Y225 HydrophobicContact CG2-CD1 3.46Å; T177-Y225 VanDerWaalsContact CG2-CD1 3.46Å; T177-Y225 HydrophobicContact CG2-CD2 3.65Å; T177-Y225 HydrophobicContact CG2-CE1 3.37Å; T177-Y225 HydrophobicContact CG2-CE2 3.56Å; T177-Y225 HydrophobicContact CG2-CG 3.58Å; Y212-Y225 HydrophobicContact CD1-CE2 4.37Å; Y212-Y225 AromaticContact CE1-CE2 3.56Å; Y212-Y225 HydrophobicContact CE1-CE2 3.56Å; Y212-Y225 AromaticContact CE1-CZ 3.91Å; S219-Y225 WeakPolarHBondContact CB-OH 3.46Å; S219-Y225 VanDerWaalsContact O-CE1 3.25Å; S219-Y225 WeakPolarHBondContact O-CE1 3.48Å; W223-Y225 PolarHBondContact O-N 3.33Å; W223-Y225 VanDerWaalsContact O-N 3.08Å; Y225-N228 PolarHBondContact O-N 3.15Å; Y225-I229 WeakPolarHBondContact O-CG1 3.3Å; Y225-I229 PolarHBondContact O-N 2.88Å; Y225-I229 VanDerWaalsContact O-N 3.14Å
226L94.2Very high86.2Confident0 Ų054.4 Ų54.40%032%0.318CS..Hα-helixtrans-68.2-39.7173.3-66.4173.8000111.2L176 L188 W223 N228 I229 L230 A243 L246 L247L176-L226 HydrophobicContact CD1-CD2 3.74Å; L176-L226 HydrophobicContact CD1-CG 4.14Å; L188-L226 HydrophobicContact CD2-CD2 3.6Å; W223-L226 HydrophobicContact CE3-CD1 4.14Å; W223-L226 HydrophobicContact CZ3-CD1 4.46Å; W223-L226 PolarHBondContact O-N 3.22Å; W223-L226 VanDerWaalsContact O-N 3.17Å; L226-N228 VanDerWaalsContact C-N 3.32Å; L226-N228 PolarHBondContact O-N 3.35Å; L226-I229 PolarHBondContact O-N 3.16Å; L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 3.37Å; L226-A243 HydrophobicContact CD2-CB 3.9Å; L226-L246 HydrophobicContact CD1-CD2 4.23Å; L226-L246 HydrophobicContact CD2-CD2 4.3Å; L226-L247 HydrophobicContact CB-CD1 4.44Å; L226-L247 HydrophobicContact CD1-CD2 3.71Å; L226-L247 HydrophobicContact CD1-CG 3.98Å
227I93.1Very high86.3Confident9 Ų955.8 Ų55.85%0.04632%0.323CS..Hα-helixtrans-59.6-40.9172.7-68.5-65.5000111.8W223 L230 N231 L267 M270 M272 I275W223-I227 PolarHBondContact O-N 3.33Å; W223-I227 VanDerWaalsContact O-N 3.11Å; I227-L230 PolarHBondContact O-N 2.88Å; I227-N231 WeakPolarHBondContact O-CB 3.34Å; I227-N231 PolarHBondContact O-N 3.01Å; I227-L267 HydrophobicContact CD1-CD2 3.96Å; I227-L267 HydrophobicContact CG1-CD2 4.12Å; I227-M270 HydrophobicContact CG1-CB 4.34Å; I227-M270 HydrophobicContact CG1-CE 3.81Å; I227-M270 HydrophobicContact CG1-SD 4.5Å; I227-M270 HydrophobicContact CG2-CB 4.23Å; I227-M272 HydrophobicContact CD1-CB 4.3Å; I227-M272 HydrophobicContact CD1-CE 3.77Å; I227-M272 HydrophobicContact CD1-SD 3.94Å; I227-I275 HydrophobicContact CD1-CD1 4.27Å; I227-I275 HydrophobicContact CG2-CD1 3.84Å
228N91.8Very high87Confident95 Ų9552.9 Ų52.951%0.50830%0.3SS..Hα-helixtrans-65.1-39.6177.3-75-24.1000112.4S224 Y225 L226 N232S224-N228 WeakPolarHBondContact O-CB 3.28Å; S224-N228 PolarHBondContact O-N 2.81Å; S224-N228 PolarHBondContact O-ND2 2.65Å; Y225-N228 PolarHBondContact O-N 3.15Å; L226-N228 VanDerWaalsContact C-N 3.32Å; L226-N228 PolarHBondContact O-N 3.35Å; N228-N232 WeakPolarHBondContact O-CB 3.43Å; N228-N232 PolarHBondContact O-N 3.2Å
229I92.5Very high87.6Confident14 Ų1447.1 Ų47.17%0.07226%0.263CS..Hα-helixtrans-61.4-48.4173.6-67.8168.7000110.1L176 V184 L188 Y225 L226 N232 S235 L239 L240 A243L176-I229 HydrophobicContact CB-CD1 4.18Å; L176-I229 HydrophobicContact CD2-CD1 4.4Å; V184-I229 HydrophobicContact CG1-CD1 3.82Å; L188-I229 HydrophobicContact CD1-CD1 4.44Å; Y225-I229 WeakPolarHBondContact O-CG1 3.3Å; Y225-I229 PolarHBondContact O-N 2.88Å; Y225-I229 VanDerWaalsContact O-N 3.14Å; L226-I229 PolarHBondContact O-N 3.16Å; I229-N232 PolarHBondContact O-N 2.87Å; I229-S235 WeakPolarHBondContact O-CB 3.19Å; I229-S235 PolarHBondContact O-OG 2.96Å; I229-L239 HydrophobicContact CG2-CB 4.09Å; I229-L240 WeakPolarHBondContact O-CD2 3.23Å; I229-A243 HydrophobicContact CG2-CB 4.02Å
230L91.9Very high88.2Confident2 Ų247.2 Ų47.21%0.0126%0.263CS..Hα-helixtrans-69-32-177.5-68.1169.7000114L226 I227 L240 A243 M244 L247 M272 I275 H279L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 3.37Å; I227-L230 PolarHBondContact O-N 2.88Å; L230-L240 HydrophobicContact CD2-CD2 4.15Å; L230-L240 WeakPolarHBondContact CD2-O 3.26Å; L230-A243 HydrophobicContact CD2-CB 4.1Å; L230-A243 HydrophobicContact CG-CB 4.18Å; L230-M244 HydrophobicContact CD1-SD 3.99Å; L230-M244 HydrophobicContact CD2-CB 4.18Å; L230-M244 HydrophobicContact CD2-SD 4.35Å; L230-L247 HydrophobicContact CD1-CD1 3.77Å; L230-M272 HydrophobicContact CD1-CE 4Å; L230-I275 HydrophobicContact CB-CG2 3.98Å; L230-I275 WeakPolarHBondContact O-CG2 3.21Å; L230-H279 PolarHBondContact O-NE2 3.47Å
231N90.5Very high88.5Confident100 Ų10045.6 Ų45.654%0.53524%0.243SC..Hα-helixtrans-83-19.7-179.7-173.366.6000113.6I227 E233 I275I227-N231 WeakPolarHBondContact O-CB 3.34Å; I227-N231 PolarHBondContact O-N 3.01Å; N231-E233 PolarHBondContact O-N 2.78Å; N231-I275 HydrophobicContact CB-CD1 3.79Å; N231-I275 HydrophobicContact CB-CG1 4.12Å
232N86Confident88.8Confident76 Ų7641.3 Ų41.341%0.40623%0.227SC..  trans-79.3109.2179.1171.137.6000110.9N228 I229 A234 S235N228-N232 WeakPolarHBondContact O-CB 3.43Å; N228-N232 PolarHBondContact O-N 3.2Å; I229-N232 PolarHBondContact O-N 2.87Å; N232-A234 PolarHBondContact O-N 2.69Å; N232-A234 VanDerWaalsContact O-N 3.16Å; N232-A234 PolarHBondContact OD1-N 3.22Å; N232-S235 WeakPolarHBondContact CB-OG 3.43Å; N232-S235 PolarHBondContact ND2-N 2.81Å; N232-S235 PolarHBondContact ND2-OG 3.42Å; N232-S235 VanDerWaalsContact O-CB 3.23Å; N232-S235 WeakPolarHBondContact O-CB 3.47Å; N232-S235 PolarHBondContact O-N 3.47Å; N232-S235 PolarHBondContact O-OG 2.79Å
233E71.4Confident89.1Confident136 Ų13639.6 Ų39.664%0.63622%0.216SC*.THydrogen-bonded Turntrans-68.3-11.6-179.9-52.9-158.9112.700114.4N231 K282N231-E233 PolarHBondContact O-N 2.78Å; E233-K282 WeakPolarHBondContact OE1-CE 3.38Å; E233-K282 IonicContact OE1-NZ 2.78Å; E233-K282 PolarHBondContact OE1-NZ 2.91Å
234A74.6Confident89.1Confident89 Ų8939.4 Ų39.474%0.73622%0.215SC*.THydrogen-bonded Turntrans-98.68.1171.700000113N232N232-A234 PolarHBondContact O-N 2.69Å; N232-A234 VanDerWaalsContact O-N 3.16Å; N232-A234 PolarHBondContact OD1-N 3.22Å
235S78.6Confident89.2Confident21 Ų2139.5 Ų39.515%0.14722%0.215CC..SBendtrans-67.9147.9165.6-710000109.5I229 N232I229-S235 WeakPolarHBondContact O-CB 3.19Å; I229-S235 PolarHBondContact O-OG 2.96Å; N232-S235 WeakPolarHBondContact CB-OG 3.43Å; N232-S235 PolarHBondContact ND2-N 2.81Å; N232-S235 PolarHBondContact ND2-OG 3.42Å; N232-S235 VanDerWaalsContact O-CB 3.23Å; N232-S235 WeakPolarHBondContact O-CB 3.47Å; N232-S235 PolarHBondContact O-N 3.47Å; N232-S235 PolarHBondContact O-OG 2.79Å
236D84.1Confident89.2Confident54 Ų5438.5 Ų38.529%0.28921%0.211SC..  trans-71.5148.7173.6-165.2-87.7000112R181 E238 L239 L240R181-D236 IonicContact CZ-OD1 3.62Å; R181-D236 IonicContact CZ-OD2 3.3Å; R181-D236 IonicContact NH1-OD2 3.62Å; R181-D236 PolarHBondContact NH1-OD2 3.22Å; R181-D236 IonicContact NH2-OD1 3.9Å; R181-D236 PolarHBondContact NH2-OD1 2.78Å; R181-D236 VanDerWaalsContact NH2-OD1 3.14Å; R181-D236 IonicContact NH2-OD2 2.64Å; R181-D236 PolarHBondContact NH2-OD2 3.27Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.87Å; D236-E238 WeakPolarHBondContact OD1-CB 3.22Å; D236-E238 PolarHBondContact OD1-N 2.7Å; D236-L239 HydrophobicContact CB-CG 4.36Å; D236-L239 PolarHBondContact O-N 3.09Å; D236-L240 WeakPolarHBondContact O-CG 3.48Å; D236-L240 PolarHBondContact O-N 2.75Å
237L88.7Confident89.2Confident68 Ų6838.6 Ų38.636%0.35621%0.212SC..Hα-helixtrans-51.9-43174.7176.959.7000112.4L239 L240 I241 D286 L289L237-L239 VanDerWaalsContact C-N 3.33Å; L237-L239 PolarHBondContact O-N 2.88Å; L237-L240 PolarHBondContact O-N 3.17Å; L237-I241 HydrophobicContact CD1-CD1 3.76Å; L237-I241 HydrophobicContact CD1-CG1 4.08Å; L237-I241 HydrophobicContact CG-CD1 3.79Å; L237-I241 HydrophobicContact CG-CG1 4.5Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 3.23Å; L237-D286 HydrophobicContact CD1-CB 3.59Å; L237-D286 HydrophobicContact CD2-CB 3.87Å; L237-D286 WeakPolarHBondContact CD2-OD2 3.25Å; L237-D286 HydrophobicContact CG-CB 4.39Å; L237-L289 HydrophobicContact CD1-CB 3.88Å; L237-L289 HydrophobicContact CD1-CD2 3.96Å
238E88.1Confident89.3Confident56 Ų5638.7 Ų38.726%0.26221%0.213SC..Hα-helixtrans-54.4-48.6174.3-71.7-171.2125.100111.5R181 K185 D236 L240 I241 Y242R181-E238 IonicContact CZ-OE2 3.93Å; R181-E238 IonicContact NH2-OE2 3.66Å; R181-E238 PolarHBondContact NH2-OE2 2.68Å; K185-E238 WeakPolarHBondContact CE-OE1 3.13Å; K185-E238 IonicContact NZ-OE1 3.88Å; K185-E238 PolarHBondContact NZ-OE1 3.37Å; K185-E238 IonicContact NZ-OE2 3.6Å; K185-E238 PolarHBondContact NZ-OE2 3.43Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.87Å; D236-E238 WeakPolarHBondContact OD1-CB 3.22Å; D236-E238 PolarHBondContact OD1-N 2.7Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 2.8Å; E238-I241 PolarHBondContact O-N 3.06Å; E238-Y242 HydrophobicContact CB-CD2 4.23Å; E238-Y242 HydrophobicContact CB-CE2 3.91Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 2.83Å
239L92.6Very high89.2Confident14 Ų1436.3 Ų36.37%0.07320%0.198CC..Hα-helixtrans-67.5-34.8-177.7-63.8-177.6000111.7R181 V184 K185 L188 I229 D236 L237 A243R181-L239 HydrophobicContact CG-CD1 4.23Å; V184-L239 HydrophobicContact CB-CD2 4.43Å; V184-L239 HydrophobicContact CG1-CD1 4.48Å; V184-L239 HydrophobicContact CG1-CD2 4.14Å; K185-L239 HydrophobicContact CB-CD2 3.89Å; L188-L239 HydrophobicContact CD1-CD2 3.97Å; I229-L239 HydrophobicContact CG2-CB 4.09Å; D236-L239 HydrophobicContact CB-CG 4.36Å; D236-L239 PolarHBondContact O-N 3.09Å; L237-L239 VanDerWaalsContact C-N 3.33Å; L237-L239 PolarHBondContact O-N 2.88Å; L239-A243 WeakPolarHBondContact O-CB 3.04Å; L239-A243 PolarHBondContact O-N 2.71Å
240L93Very high89.3Confident13 Ų1335.7 Ų35.77%0.06819%0.194CC..Hα-helixtrans-65.1-46.3173.8-62.7174.6000110.8I229 L230 D236 L237 E238 M244 L289I229-L240 WeakPolarHBondContact O-CD2 3.23Å; L230-L240 HydrophobicContact CD2-CD2 4.15Å; L230-L240 WeakPolarHBondContact CD2-O 3.26Å; D236-L240 WeakPolarHBondContact O-CG 3.48Å; D236-L240 PolarHBondContact O-N 2.75Å; L237-L240 PolarHBondContact O-N 3.17Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 2.8Å; L240-M244 VanDerWaalsContact O-CB 3.31Å; L240-M244 WeakPolarHBondContact O-CB 3.23Å; L240-M244 PolarHBondContact O-N 2.98Å; L240-L289 HydrophobicContact CB-CD1 3.85Å; L240-L289 HydrophobicContact CB-CD2 3.94Å; L240-L289 HydrophobicContact CD1-CD2 3.85Å
241I91.7Very high89.3Confident14 Ų1435.8 Ų35.87%0.07220%0.195CC..Hα-helixtrans-63.9-50.9178.2-68.4167.2000110.8L237 E238 A243 M244 T245 E288 L289L237-I241 HydrophobicContact CD1-CD1 3.76Å; L237-I241 HydrophobicContact CD1-CG1 4.08Å; L237-I241 HydrophobicContact CG-CD1 3.79Å; L237-I241 HydrophobicContact CG-CG1 4.5Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 3.23Å; E238-I241 PolarHBondContact O-N 3.06Å; I241-A243 PolarHBondContact O-N 3.26Å; I241-M244 PolarHBondContact O-N 2.75Å; I241-T245 VanDerWaalsContact O-CB 3.28Å; I241-T245 WeakPolarHBondContact O-CB 3.45Å; I241-T245 PolarHBondContact O-N 2.96Å; I241-T245 PolarHBondContact O-OG1 3.28Å; I241-E288 HydrophobicContact CD1-CB 4.03Å; I241-E288 HydrophobicContact CD1-CG 4.07Å; I241-E288 HydrophobicContact CG2-CG 4.22Å; I241-L289 HydrophobicContact CG1-CB 3.94Å; I241-L289 HydrophobicContact CG1-CD1 4.32Å
242Y93.4Very high89.3Confident31 Ų3133 Ų3312%0.12218%0.18CC..Hα-helixtrans-62.4-41.2179.4-67.2-56.1000112.2K185 K189 L192 E238 L246K185-Y242 HydrophobicContact CG-CE2 4.32Å; K189-Y242 WeakPolarHBondContact CE-OH 3.49Å; K189-Y242 HydrophobicContact CG-CD1 4.37Å; K189-Y242 HydrophobicContact CG-CE1 4.14Å; K189-Y242 PolarHBondContact NZ-OH 3.04Å; L192-Y242 HydrophobicContact CD2-CD1 4.34Å; E238-Y242 HydrophobicContact CB-CD2 4.23Å; E238-Y242 HydrophobicContact CB-CE2 3.91Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 2.83Å; Y242-L246 VanDerWaalsContact O-CB 3.27Å; Y242-L246 WeakPolarHBondContact O-CB 3.28Å; Y242-L246 PolarHBondContact O-N 3.48Å
243A95.3Very high89.5Confident0 Ų030.6 Ų30.60%017%0.169CC..Hα-helixtrans-65.2-40.8177.200000112.3L188 L226 I229 L230 L239 I241 L247L188-A243 HydrophobicContact CD1-CB 4.44Å; L188-A243 HydrophobicContact CD2-CB 4.39Å; L226-A243 HydrophobicContact CD2-CB 3.9Å; I229-A243 HydrophobicContact CG2-CB 4.02Å; L230-A243 HydrophobicContact CD2-CB 4.1Å; L230-A243 HydrophobicContact CG-CB 4.18Å; L239-A243 WeakPolarHBondContact O-CB 3.04Å; L239-A243 PolarHBondContact O-N 2.71Å; I241-A243 PolarHBondContact O-N 3.26Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 2.87Å
244M94Very high90.4Very high0 Ų024.1 Ų24.10%014%0.139CC..Hα-helixtrans-71.8-40.6178.3-160.566.5-154.300112L230 L240 I241 L247 N248 M272 Q292 L293 Y296L230-M244 HydrophobicContact CD1-SD 3.99Å; L230-M244 HydrophobicContact CD2-CB 4.18Å; L230-M244 HydrophobicContact CD2-SD 4.35Å; L240-M244 VanDerWaalsContact O-CB 3.31Å; L240-M244 WeakPolarHBondContact O-CB 3.23Å; L240-M244 PolarHBondContact O-N 2.98Å; I241-M244 PolarHBondContact O-N 2.75Å; M244-L247 PolarHBondContact O-N 3.47Å; M244-N248 WeakPolarHBondContact O-CB 3.33Å; M244-N248 PolarHBondContact O-N 2.93Å; M244-N248 PolarHBondContact O-ND2 3.08Å; M244-M272 HydrophobicContact CE-CE 4.42Å; M244-M272 HydrophobicContact SD-CE 4.38Å; M244-Q292 HydrophobicContact CB-CB 4.01Å; M244-Q292 HydrophobicContact CG-CB 3.71Å; M244-L293 HydrophobicContact CE-CD2 4.25Å; M244-L293 HydrophobicContact CG-CD2 4.26Å; M244-L293 HydrophobicContact SD-CD2 3.85Å; M244-Y296 HydrophobicContact CE-CD1 4.34Å; M244-Y296 HydrophobicContact CE-CD2 3.98Å; M244-Y296 HydrophobicContact CE-CG 3.65Å
245T93.3Very high90.9Very high17 Ų1720.9 Ų20.910%0.10411%0.11CC..Hα-helixtrans-64.8-40.6177.4-52.80000111.4L192 I241 N248 K249L192-T245 HydrophobicContact CD1-CG2 4.1Å; L192-T245 HydrophobicContact CD2-CG2 4.24Å; I241-T245 VanDerWaalsContact O-CB 3.28Å; I241-T245 WeakPolarHBondContact O-CB 3.45Å; I241-T245 PolarHBondContact O-N 2.96Å; I241-T245 PolarHBondContact O-OG1 3.28Å; T245-N248 PolarHBondContact O-N 2.89Å; T245-K249 HydrophobicContact CG2-CG 4.42Å; T245-K249 PolarHBondContact O-N 3.21Å
246L94.3Very high91.3Very high0 Ų019.9 Ų19.90%010%0.103CC..Hα-helixtrans-61.4-43.5173.7176.759.4000111.9L188 Q191 L192 V195 F205 L226 Y242 T250L188-L246 HydrophobicContact CD2-CD2 4.06Å; Q191-L246 HydrophobicContact CB-CD1 4.14Å; Q191-L246 HydrophobicContact CB-CD2 3.74Å; L192-L246 HydrophobicContact CD1-CB 4.35Å; L192-L246 HydrophobicContact CD1-CD1 4.49Å; V195-L246 HydrophobicContact CB-CD1 4.41Å; V195-L246 HydrophobicContact CG2-CD1 3.99Å; F205-L246 HydrophobicContact CD1-CD1 4.46Å; F205-L246 HydrophobicContact CE1-CD1 3.88Å; F205-L246 HydrophobicContact CE1-CD2 4.22Å; F205-L246 HydrophobicContact CE1-CG 4.05Å; F205-L246 HydrophobicContact CZ-CD1 4.29Å; F205-L246 HydrophobicContact CZ-CD2 3.99Å; F205-L246 HydrophobicContact CZ-CG 4.33Å; L226-L246 HydrophobicContact CD1-CD2 4.23Å; L226-L246 HydrophobicContact CD2-CD2 4.3Å; Y242-L246 VanDerWaalsContact O-CB 3.27Å; Y242-L246 WeakPolarHBondContact O-CB 3.28Å; Y242-L246 PolarHBondContact O-N 3.48Å; L246-T250 VanDerWaalsContact O-CB 3.23Å; L246-T250 WeakPolarHBondContact O-CB 3.27Å; L246-T250 PolarHBondContact O-N 2.97Å; L246-T250 PolarHBondContact O-OG1 2.7Å
247L95Very high91.6Very high1 Ų118.8 Ų18.81%0.00510%0.096CC..Hα-helixtrans-62.4-45.2173.4-73174.7000111.6W223 L226 L230 A243 M244 T250 L251 L267 M272W223-L247 HydrophobicContact CE3-CD2 3.81Å; W223-L247 HydrophobicContact CZ3-CD2 4.21Å; L226-L247 HydrophobicContact CB-CD1 4.44Å; L226-L247 HydrophobicContact CD1-CD2 3.71Å; L226-L247 HydrophobicContact CD1-CG 3.98Å; L230-L247 HydrophobicContact CD1-CD1 3.77Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 2.87Å; M244-L247 PolarHBondContact O-N 3.47Å; L247-T250 PolarHBondContact O-N 2.93Å; L247-L251 VanDerWaalsContact O-CB 3.3Å; L247-L251 WeakPolarHBondContact O-CB 3.17Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.22Å; L247-L251 PolarHBondContact O-N 3Å; L247-L267 HydrophobicContact CD2-CD1 4.38Å; L247-L267 HydrophobicContact CD2-CD2 4.23Å; L247-M272 HydrophobicContact CD1-CE 3.56Å
248N93.7Very high91.6Very high12 Ų1217.2 Ų17.26%0.0649%0.088CC..Hα-helixtrans-65-49.6-178.9-75.9-22.2000112.5M244 T245 T250 L251 N252 Q292 L295M244-N248 WeakPolarHBondContact O-CB 3.33Å; M244-N248 PolarHBondContact O-N 2.93Å; M244-N248 PolarHBondContact O-ND2 3.08Å; T245-N248 PolarHBondContact O-N 2.89Å; N248-T250 PolarHBondContact O-N 2.73Å; N248-L251 PolarHBondContact O-N 3.21Å; N248-N252 WeakPolarHBondContact O-CB 3.29Å; N248-N252 PolarHBondContact O-N 2.95Å; N248-Q292 PolarHBondContact ND2-O 3.23Å; N248-Q292 PolarHBondContact ND2-OE1 3.49Å; N248-L295 HydrophobicContact CB-CD2 4.08Å
249K91.1Very high91.7Very high44 Ų4415.1 Ų15.119%0.1918%0.08CC..Hα-helixtrans-60.4-44.5175.6-68.4-153.9178.8-165.10111.2L192 V195 D196 T245 L251 N252 S253L192-K249 HydrophobicContact CD1-CB 4.46Å; L192-K249 HydrophobicContact CD1-CD 3.95Å; L192-K249 HydrophobicContact CD1-CG 4.26Å; V195-K249 HydrophobicContact CG1-CB 4.16Å; D196-K249 VanDerWaalsContact OD1-CD 3.26Å; D196-K249 WeakPolarHBondContact OD1-CD 3.46Å; D196-K249 WeakPolarHBondContact OD1-CE 3.48Å; D196-K249 IonicContact OD1-NZ 3.36Å; D196-K249 PolarHBondContact OD1-NZ 2.93Å; D196-K249 IonicContact OD2-NZ 3.78Å; D196-K249 PolarHBondContact OD2-NZ 3.47Å; T245-K249 HydrophobicContact CG2-CG 4.42Å; T245-K249 PolarHBondContact O-N 3.21Å; K249-L251 PolarHBondContact O-N 3Å; K249-N252 PolarHBondContact O-N 3.23Å; K249-S253 PolarHBondContact O-N 3.07Å; K249-S253 VanDerWaalsContact O-N 3.11Å; K249-S253 PolarHBondContact O-OG 3.28Å
250T94.2Very high91.7Very high1 Ų114.5 Ų14.51%0.0068%0.076CC..Hα-helixtrans-58.9-48.5176.2-56.90000111.8A202 F205 V206 W223 L246 L247 N248 N252 I254A202-T250 HydrophobicContact CB-CG2 4.26Å; F205-T250 HydrophobicContact CD1-CG2 4.01Å; V206-T250 HydrophobicContact CG2-CG2 3.69Å; W223-T250 HydrophobicContact CH2-CG2 4.11Å; L246-T250 VanDerWaalsContact O-CB 3.23Å; L246-T250 WeakPolarHBondContact O-CB 3.27Å; L246-T250 PolarHBondContact O-N 2.97Å; L246-T250 PolarHBondContact O-OG1 2.7Å; L247-T250 PolarHBondContact O-N 2.93Å; N248-T250 PolarHBondContact O-N 2.73Å; T250-N252 PolarHBondContact O-N 3.15Å; T250-I254 WeakPolarHBondContact O-CG1 3.33Å; T250-I254 PolarHBondContact O-N 2.88Å
251L92.6Very high91.7Very high4 Ų413.9 Ų13.92%0.0217%0.073CC..Hα-helixtrans-66-36.6179.6-75.9169.9000112.4L247 N248 K249 I254 F260 V263 T264 L267 Y296 R326L247-L251 VanDerWaalsContact O-CB 3.3Å; L247-L251 WeakPolarHBondContact O-CB 3.17Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.22Å; L247-L251 PolarHBondContact O-N 3Å; N248-L251 PolarHBondContact O-N 3.21Å; K249-L251 PolarHBondContact O-N 3Å; L251-I254 HydrophobicContact CD2-CD1 4.22Å; L251-F260 HydrophobicContact CB-CE2 4.23Å; L251-F260 HydrophobicContact CD2-CD2 4.15Å; L251-F260 HydrophobicContact CD2-CE2 4.23Å; L251-V263 HydrophobicContact CD2-CB 4.09Å; L251-V263 HydrophobicContact CD2-CG1 3.7Å; L251-T264 HydrophobicContact CD1-CG2 4.27Å; L251-T264 HydrophobicContact CD2-CG2 3.72Å; L251-L267 HydrophobicContact CD1-CD1 4.3Å; L251-Y296 HydrophobicContact CD1-CD2 3.76Å; L251-Y296 HydrophobicContact CD1-CE2 3.63Å; L251-R326 PolarHBondContact O-NH2 3.44Å
252N90.3Very high91.6Very high43 Ų4316.3 Ų16.323%0.239%0.086CC..Hα-helixtrans-64.2-47.5179.7-154.645.1000111N248 K249 T250 I254 S320 R322 R326N248-N252 WeakPolarHBondContact O-CB 3.29Å; N248-N252 PolarHBondContact O-N 2.95Å; K249-N252 PolarHBondContact O-N 3.23Å; T250-N252 PolarHBondContact O-N 3.15Å; N252-I254 VanDerWaalsContact C-N 3.33Å; N252-I254 PolarHBondContact O-N 3.11Å; N252-S320 PolarHBondContact ND2-O 3.05Å; N252-R322 WeakPolarHBondContact OD1-CB 3.38Å; N252-R322 PolarHBondContact OD1-N 2.9Å; N252-R326 PolarHBondContact O-NH2 2.95Å
253S88.7Confident91.6Very high25 Ų2515 Ų1518%0.1758%0.081CC..Hα-helixtrans-79.5-2.6-176-53.80000115.5K249 P255K249-S253 PolarHBondContact O-N 3.07Å; K249-S253 VanDerWaalsContact O-N 3.11Å; K249-S253 PolarHBondContact O-OG 3.28Å; S253-P255 WeakPolarHBondContact O-CD 3.33Å
254I90.3Very high91.5Very high0 Ų015 Ų150%08%0.081CC..  trans-64.6126.7168.9-73.4165.4000109.5M203 V206 T250 L251 N252 D256 T259 F260 V263 R326M203-I254 HydrophobicContact SD-CG1 4.11Å; M203-I254 HydrophobicContact SD-CG2 4.27Å; V206-I254 HydrophobicContact CG2-CD1 4.26Å; T250-I254 WeakPolarHBondContact O-CG1 3.33Å; T250-I254 PolarHBondContact O-N 2.88Å; L251-I254 HydrophobicContact CD2-CD1 4.22Å; N252-I254 VanDerWaalsContact C-N 3.33Å; N252-I254 PolarHBondContact O-N 3.11Å; I254-D256 WeakPolarHBondContact CG2-O 3.31Å; I254-T259 HydrophobicContact CD1-CG2 4.3Å; I254-T259 HydrophobicContact CG2-CG2 4.07Å; I254-F260 HydrophobicContact CG2-CB 4.15Å; I254-V263 HydrophobicContact CD1-CG2 4.09Å; I254-R326 WeakPolarHBondContact O-CD 3.48Å; I254-R326 PolarHBondContact O-NE 3.45Å
255P86.2Confident91.3Very high20 Ų2015.8 Ų15.813%0.139%0.086CC..  trans-82.8-29.1-174.731.2-35.3000114.3M203 S253 F332M203-P255 HydrophobicContact CG-CG 4.37Å; S253-P255 WeakPolarHBondContact O-CD 3.33Å; P255-F332 HydrophobicContact CB-CD1 4.34Å; P255-F332 HydrophobicContact CB-CD2 4.11Å; P255-F332 HydrophobicContact CB-CE1 3.96Å; P255-F332 HydrophobicContact CB-CE2 3.7Å; P255-F332 HydrophobicContact CB-CG 4.43Å; P255-F332 HydrophobicContact CB-CZ 3.62Å; P255-F332 HydrophobicContact CG-CD1 4.14Å; P255-F332 HydrophobicContact CG-CE1 3.63Å; P255-F332 HydrophobicContact CG-CE2 4.3Å; P255-F332 HydrophobicContact CG-CZ 3.73Å
256D87.4Confident91.2Very high0 Ų016.3 Ų16.30%09%0.089CC..BIsolated β-bridgetrans-111.4142.9-173.379.998.1000114I254 D258 T259 F260 M327 R329 F332I254-D256 WeakPolarHBondContact CG2-O 3.31Å; D256-D258 VanDerWaalsContact C-N 3.31Å; D256-D258 PolarHBondContact O-N 2.86Å; D256-D258 PolarHBondContact OD1-N 2.74Å; D256-T259 PolarHBondContact O-N 3.48Å; D256-T259 PolarHBondContact OD1-N 2.88Å; D256-T259 PolarHBondContact OD1-OG1 2.83Å; D256-T259 VanDerWaalsContact OD2-CB 3.25Å; D256-T259 WeakPolarHBondContact OD2-CB 3.32Å; D256-T259 PolarHBondContact OD2-OG1 2.96Å; D256-F260 PolarHBondContact O-N 2.88Å; D256-F260 VanDerWaalsContact O-N 3.16Å; D256-M327 WeakPolarHBondContact CA-O 3.11Å; D256-R329 HydrophobicContact CB-CB 4.25Å; D256-R329 HydrophobicContact CB-CG 4.45Å; D256-R329 WeakPolarHBondContact OD1-CB 3.32Å; D256-R329 WeakPolarHBondContact OD1-CG 3.49Å; D256-R329 IonicContact OD1-CZ 3.8Å; D256-R329 IonicContact OD1-NE 2.61Å; D256-R329 PolarHBondContact OD1-NE 2.99Å; D256-R329 IonicContact OD1-NH2 3.29Å; D256-R329 IonicContact OD2-NE 2.72Å; D256-F332 HydrophobicContact CB-CB 4.18Å; D256-F332 HydrophobicContact CB-CG 4.49Å
257Q89.6Confident91.1Very high31 Ų3116.3 Ų16.315%0.1459%0.089CC..Hα-helixtrans-68.3-29.9-173.7-171.9174.578.100112.4Y261 E303 R326 M327Q257-Y261 HydrophobicContact CG-CD2 3.73Å; Q257-Y261 HydrophobicContact CG-CE2 3.51Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.22Å; Q257-Y261 PolarHBondContact O-N 2.67Å; Q257-Y261 VanDerWaalsContact O-N 3.14Å; Q257-E303 PolarHBondContact NE2-OE2 2.98Å; Q257-R326 HydrophobicContact CB-CB 3.84Å; Q257-M327 PolarHBondContact N-O 2.89Å
258D89.4Confident90.9Very high35 Ų3517.1 Ų17.119%0.1879%0.093CC..Hα-helixtrans-69.1-42.9178.4-65.9-76.1000111.2D256 Y261 D262 R329 R1457D256-D258 VanDerWaalsContact C-N 3.31Å; D256-D258 PolarHBondContact O-N 2.86Å; D256-D258 PolarHBondContact OD1-N 2.74Å; D258-Y261 PolarHBondContact O-N 2.91Å; D258-D262 WeakPolarHBondContact O-CB 3.27Å; D258-D262 PolarHBondContact O-N 2.99Å; D258-R329 VanDerWaalsContact C-NH2 3.29Å; D258-R329 HydrophobicContact CB-CB 4.08Å; D258-R329 WeakPolarHBondContact OD2-CB 3.19Å; D258-R329 PolarHBondContact OD2-N 2.97Å; D258-R1457 PolarHBondContact O-NH1 3.2Å
259T90.2Very high90.5Very high13 Ų1322.4 Ų22.48%0.0812%0.118CC..Hα-helixtrans-68.5-39.2177.6-530000111.4M203 V206 I254 D256 Y261 D262 V263 R329M203-T259 HydrophobicContact CE-CG2 4.03Å; M203-T259 HydrophobicContact SD-CG2 3.93Å; V206-T259 HydrophobicContact CG1-CG2 4.47Å; I254-T259 HydrophobicContact CD1-CG2 4.3Å; I254-T259 HydrophobicContact CG2-CG2 4.07Å; D256-T259 PolarHBondContact O-N 3.48Å; D256-T259 PolarHBondContact OD1-N 2.88Å; D256-T259 PolarHBondContact OD1-OG1 2.83Å; D256-T259 VanDerWaalsContact OD2-CB 3.25Å; D256-T259 WeakPolarHBondContact OD2-CB 3.32Å; D256-T259 PolarHBondContact OD2-OG1 2.96Å; T259-Y261 VanDerWaalsContact C-N 3.33Å; T259-Y261 PolarHBondContact O-N 3.07Å; T259-D262 PolarHBondContact O-N 3Å; T259-V263 WeakPolarHBondContact O-CG2 3.26Å; T259-V263 PolarHBondContact O-N 3.32Å; T259-R329 PolarHBondContact OG1-NE 2.9Å; T259-R329 PolarHBondContact OG1-NH2 2.92Å
260F92.9Very high90.4Very high1 Ų122.4 Ų22.40%0.00412%0.119CC..Hα-helixtrans-55.3-51.1174.7176.5-92.8000110.4L251 I254 D256 V263 T264 L300 E303L251-F260 HydrophobicContact CB-CE2 4.23Å; L251-F260 HydrophobicContact CD2-CD2 4.15Å; L251-F260 HydrophobicContact CD2-CE2 4.23Å; I254-F260 HydrophobicContact CG2-CB 4.15Å; D256-F260 PolarHBondContact O-N 2.88Å; D256-F260 VanDerWaalsContact O-N 3.16Å; F260-V263 PolarHBondContact O-N 3.26Å; F260-T264 HydrophobicContact CD1-CG2 4.46Å; F260-T264 HydrophobicContact CE1-CG2 4.12Å; F260-T264 HydrophobicContact CE2-CG2 4.4Å; F260-T264 HydrophobicContact CZ-CG2 4.1Å; F260-T264 WeakPolarHBondContact O-CG2 3.46Å; F260-T264 PolarHBondContact O-N 3.47Å; F260-T264 PolarHBondContact O-OG1 2.92Å; F260-L300 HydrophobicContact CE1-CD2 4.38Å; F260-L300 HydrophobicContact CZ-CD2 4.44Å; F260-E303 HydrophobicContact CD1-CB 4.34Å; F260-E303 HydrophobicContact CD1-CG 4.1Å; F260-E303 HydrophobicContact CE1-CB 3.82Å; F260-E303 HydrophobicContact CE1-CG 3.8Å; F260-E303 HydrophobicContact CZ-CB 4.38Å; F260-E303 HydrophobicContact CZ-CG 4.09Å
261Y92.4Very high90.2Very high0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-70.7-33.3177.4-73.1-57.5000113.9Q257 D258 T259 V263 T264 D265 E303 D304 R1457 S1459Q257-Y261 HydrophobicContact CG-CD2 3.73Å; Q257-Y261 HydrophobicContact CG-CE2 3.51Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.22Å; Q257-Y261 PolarHBondContact O-N 2.67Å; Q257-Y261 VanDerWaalsContact O-N 3.14Å; D258-Y261 PolarHBondContact O-N 2.91Å; T259-Y261 VanDerWaalsContact C-N 3.33Å; T259-Y261 PolarHBondContact O-N 3.07Å; Y261-V263 VanDerWaalsContact C-N 3.27Å; Y261-V263 PolarHBondContact O-N 3Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.49Å; Y261-T264 PolarHBondContact O-N 3.28Å; Y261-D265 WeakPolarHBondContact O-CB 3.41Å; Y261-D265 PolarHBondContact O-N 3.45Å; Y261-E303 PolarHBondContact OH-O 2.86Å; Y261-D304 PolarHBondContact OH-N 2.95Å; Y261-D304 PolarHBondContact OH-OD1 2.83Å; Y261-R1457 VanDerWaalsContact CB-CZ 3.47Å; Y261-R1457 HydrophobicContact CD2-CB 3.79Å; Y261-R1457 HydrophobicContact CD2-CG 3.57Å; Y261-R1457 HydrophobicContact CE2-CB 3.98Å; Y261-R1457 HydrophobicContact CE2-CG 4.12Å; Y261-R1457 WeakPolarHBondContact CE2-O 3.41Å; Y261-R1457 HydrophobicContact CG-CG 3.97Å; Y261-R1457 PolarHBondContact OH-O 3.11Å; Y261-S1459 VanDerWaalsContact CE1-N 3.31Å
262D90.1Very high90.1Very high64 Ų6423 Ų2334%0.34213%0.127SC..Hα-helixtrans-60.1-37.8174.5-70.9-24.9000111.4D258 T259 R329 R1457D258-D262 WeakPolarHBondContact O-CB 3.27Å; D258-D262 PolarHBondContact O-N 2.99Å; T259-D262 PolarHBondContact O-N 3Å; D262-R329 IonicContact OD2-CZ 2.7Å; D262-R329 IonicContact OD2-NH1 2.8Å; D262-R329 PolarHBondContact OD2-NH1 2.86Å; D262-R329 IonicContact OD2-NH2 3.92Å; D262-R329 PolarHBondContact OD2-NH2 3.41Å; D262-R1457 IonicContact OD1-CZ 3.06Å; D262-R1457 IonicContact OD1-NH1 3.85Å; D262-R1457 PolarHBondContact OD1-NH1 3.41Å; D262-R1457 IonicContact OD1-NH2 2.67Å; D262-R1457 PolarHBondContact OD1-NH2 2.78Å; D262-R1457 IonicContact OD2-NH1 3.71Å
263V92.9Very high90Very high4 Ų424.8 Ų24.82%0.02413%0.133CC..Hα-helixtrans-73.3-50.7173.4176.20000111.6V206 W223 L251 I254 T259 F260 Y261 D265 C266 L267V206-V263 HydrophobicContact CG1-CG2 4.06Å; V206-V263 HydrophobicContact CG2-CG2 4.28Å; W223-V263 HydrophobicContact CD2-CG1 4.44Å; W223-V263 HydrophobicContact CZ2-CG1 3.96Å; W223-V263 HydrophobicContact CZ2-CG2 4.06Å; L251-V263 HydrophobicContact CD2-CB 4.09Å; L251-V263 HydrophobicContact CD2-CG1 3.7Å; I254-V263 HydrophobicContact CD1-CG2 4.09Å; T259-V263 WeakPolarHBondContact O-CG2 3.26Å; T259-V263 PolarHBondContact O-N 3.32Å; F260-V263 PolarHBondContact O-N 3.26Å; Y261-V263 VanDerWaalsContact C-N 3.27Å; Y261-V263 PolarHBondContact O-N 3Å; V263-D265 PolarHBondContact O-N 2.91Å; V263-C266 WeakPolarHBondContact O-CB 3.29Å; V263-C266 PolarHBondContact O-N 3.02Å; V263-C266 VanDerWaalsContact O-N 3.16Å; V263-L267 HydrophobicContact CG1-CD1 4.25Å; V263-L267 PolarHBondContact O-N 3.42Å; V263-L267 VanDerWaalsContact O-N 3.12Å
264T92.8Very high90Very high0 Ų031.2 Ų31.20%016%0.158CC..Hα-helixtrans-67.6-38-175.861.20000112.9L251 F260 Y261 C266 L267 E268 L300L251-T264 HydrophobicContact CD1-CG2 4.27Å; L251-T264 HydrophobicContact CD2-CG2 3.72Å; F260-T264 HydrophobicContact CD1-CG2 4.46Å; F260-T264 HydrophobicContact CE1-CG2 4.12Å; F260-T264 HydrophobicContact CE2-CG2 4.4Å; F260-T264 HydrophobicContact CZ-CG2 4.1Å; F260-T264 WeakPolarHBondContact O-CG2 3.46Å; F260-T264 PolarHBondContact O-N 3.47Å; F260-T264 PolarHBondContact O-OG1 2.92Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.49Å; Y261-T264 PolarHBondContact O-N 3.28Å; T264-C266 PolarHBondContact O-N 2.96Å; T264-L267 PolarHBondContact O-N 2.88Å; T264-E268 WeakPolarHBondContact O-CB 3.27Å; T264-E268 WeakPolarHBondContact O-CG 3.49Å; T264-E268 PolarHBondContact O-N 2.97Å; T264-L300 HydrophobicContact CG2-CD2 3.76Å
265D89.9Confident90Very high17 Ų1731.6 Ų31.69%0.09116%0.16CC..Hα-helixtrans-60.8-33.7175.7-67.2-24.6000110.3Y261 V263 E269 R1457 V1460Y261-D265 WeakPolarHBondContact O-CB 3.41Å; Y261-D265 PolarHBondContact O-N 3.45Å; V263-D265 PolarHBondContact O-N 2.91Å; D265-E269 PolarHBondContact O-N 3.26Å; D265-R1457 IonicContact OD2-CZ 2.68Å; D265-R1457 IonicContact OD2-NE 3.78Å; D265-R1457 IonicContact OD2-NH2 2.75Å; D265-R1457 PolarHBondContact OD2-NH2 2.92Å; D265-V1460 HydrophobicContact CB-CG2 4.02Å; D265-V1460 VanDerWaalsContact OD1-CG2 3.28Å; D265-V1460 WeakPolarHBondContact OD1-CG2 3.26Å; D265-V1460 PolarHBondContact OD1-N 3.49Å
266C90.5Very high90.1Very high27 Ų2730.8 Ų30.818%0.18216%0.155CC..Hα-helixtrans-69.4-42.9175.2-163.70000113V263 T264 M270V263-C266 WeakPolarHBondContact O-CB 3.29Å; V263-C266 PolarHBondContact O-N 3.02Å; V263-C266 VanDerWaalsContact O-N 3.16Å; T264-C266 PolarHBondContact O-N 2.96Å; C266-M270 WeakPolarHBondContact O-CE 3.5Å; C266-M270 PolarHBondContact O-N 3.42Å
267L93Very high90.1Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-62.6-42.1174.3-64.5171.4000111.4W223 I227 L247 L251 V263 T264 M270 G271 M272 Y296W223-L267 HydrophobicContact CB-CD2 3.55Å; W223-L267 HydrophobicContact CG-CD2 3.97Å; I227-L267 HydrophobicContact CD1-CD2 3.96Å; I227-L267 HydrophobicContact CG1-CD2 4.12Å; L247-L267 HydrophobicContact CD2-CD1 4.38Å; L247-L267 HydrophobicContact CD2-CD2 4.23Å; L251-L267 HydrophobicContact CD1-CD1 4.3Å; V263-L267 HydrophobicContact CG1-CD1 4.25Å; V263-L267 PolarHBondContact O-N 3.42Å; V263-L267 VanDerWaalsContact O-N 3.12Å; T264-L267 PolarHBondContact O-N 2.88Å; L267-M270 PolarHBondContact O-N 3.03Å; L267-G271 PolarHBondContact O-N 3.12Å; L267-M272 HydrophobicContact CB-CB 4.16Å; L267-M272 HydrophobicContact CD1-CE 4.42Å; L267-M272 HydrophobicContact CD2-CE 4.38Å; L267-M272 WeakPolarHBondContact O-CB 3.41Å; L267-M272 PolarHBondContact O-N 3.02Å; L267-M272 VanDerWaalsContact O-N 3.16Å; L267-Y296 HydrophobicContact CD1-CE2 4.04Å
268E89.9Confident90Very high19 Ų1937.4 Ų37.49%0.08919%0.19CC..Hα-helixtrans-68.4-39.4178.9-71.8-61.6139.200112.7T264 M270 G271 Y296 R1461T264-E268 WeakPolarHBondContact O-CB 3.27Å; T264-E268 WeakPolarHBondContact O-CG 3.49Å; T264-E268 PolarHBondContact O-N 2.97Å; E268-M270 PolarHBondContact O-N 3.25Å; E268-G271 PolarHBondContact O-N 2.97Å; E268-Y296 PolarHBondContact OE1-OH 3Å; E268-R1461 HydrophobicContact CG-CG 4.4Å; E268-R1461 IonicContact OE1-CZ 3.84Å; E268-R1461 VanDerWaalsContact OE1-CZ 3.26Å; E268-R1461 IonicContact OE1-NE 3.12Å; E268-R1461 PolarHBondContact OE1-NE 3.35Å; E268-R1461 IonicContact OE1-NH2 3.83Å; E268-R1461 PolarHBondContact OE1-NH2 3Å; E268-R1461 WeakPolarHBondContact OE2-CG 3.26Å; E268-R1461 IonicContact OE2-CZ 3.32Å; E268-R1461 IonicContact OE2-NE 2.96Å; E268-R1461 PolarHBondContact OE2-NE 3.1Å; E268-R1461 IonicContact OE2-NH2 3.54Å
269E86.9Confident89.9Confident123 Ų12336.3 Ų36.358%0.57518%0.184SC*.Hα-helixtrans-61.3-24.9171.9-83.2-165.8-150.200113.2R221 D265 G271R221-E269 IonicContact CZ-OE2 3.06Å; R221-E269 IonicContact NH1-OE2 3.31Å; R221-E269 PolarHBondContact NH1-OE2 3.39Å; R221-E269 IonicContact NH2-OE2 2.69Å; R221-E269 PolarHBondContact NH2-OE2 2.93Å; R221-E269 VanDerWaalsContact NH2-OE2 3.09Å; D265-E269 PolarHBondContact O-N 3.26Å; E269-G271 VanDerWaalsContact C-N 3.34Å
270M88.9Confident89.7Confident44 Ų4438.5 Ų38.522%0.21720%0.195CC..THydrogen-bonded Turntrans-89.31.4173.3-63.5-173.1-71.900113.6R221 P222 W223 I227 C266 L267 E268R221-M270 HydrophobicContact CB-SD 3.93Å; P222-M270 WeakPolarHBondContact O-CE 3.37Å; W223-M270 HydrophobicContact CB-CE 3.86Å; I227-M270 HydrophobicContact CG1-CB 4.34Å; I227-M270 HydrophobicContact CG1-CE 3.81Å; I227-M270 HydrophobicContact CG1-SD 4.5Å; I227-M270 HydrophobicContact CG2-CB 4.23Å; C266-M270 WeakPolarHBondContact O-CE 3.5Å; C266-M270 PolarHBondContact O-N 3.42Å; L267-M270 PolarHBondContact O-N 3.03Å; E268-M270 PolarHBondContact O-N 3.25Å
271G88.4Confident89.4Confident18 Ų1843.3 Ų43.319%0.18623%0.225CC..THydrogen-bonded Turntrans92.922.5171.700000115.6L267 E268 E269 Q273 K274 I275L267-G271 PolarHBondContact O-N 3.12Å; E268-G271 PolarHBondContact O-N 2.97Å; E269-G271 VanDerWaalsContact C-N 3.34Å; G271-Q273 PolarHBondContact O-N 3.31Å; G271-Q273 VanDerWaalsContact O-N 3.13Å; G271-K274 WeakPolarHBondContact O-CB 3.46Å; G271-K274 PolarHBondContact O-N 3.35Å; G271-I275 PolarHBondContact O-N 3.32Å
272M91.7Very high89Confident0 Ų046.6 Ų46.60%024%0.239CC..Hα-helixtrans-45.9-43.9178.3-176.761107.500113.3I227 L230 M244 L247 L267 K274 I275 V276 Y296I227-M272 HydrophobicContact CD1-CB 4.3Å; I227-M272 HydrophobicContact CD1-CE 3.77Å; I227-M272 HydrophobicContact CD1-SD 3.94Å; L230-M272 HydrophobicContact CD1-CE 4Å; M244-M272 HydrophobicContact CE-CE 4.42Å; M244-M272 HydrophobicContact SD-CE 4.38Å; L247-M272 HydrophobicContact CD1-CE 3.56Å; L267-M272 HydrophobicContact CB-CB 4.16Å; L267-M272 HydrophobicContact CD1-CE 4.42Å; L267-M272 HydrophobicContact CD2-CE 4.38Å; L267-M272 WeakPolarHBondContact O-CB 3.41Å; L267-M272 PolarHBondContact O-N 3.02Å; L267-M272 VanDerWaalsContact O-N 3.16Å; M272-K274 PolarHBondContact O-N 3.3Å; M272-K274 VanDerWaalsContact O-N 3.13Å; M272-I275 WeakPolarHBondContact O-CB 3.19Å; M272-I275 PolarHBondContact O-N 3.4Å; M272-V276 HydrophobicContact CG-CG2 4.04Å; M272-V276 WeakPolarHBondContact O-CG2 3.35Å; M272-V276 PolarHBondContact O-N 3.26Å; M272-V276 HydrophobicContact SD-CG2 4.02Å; M272-Y296 HydrophobicContact CG-CD1 4.44Å; M272-Y296 HydrophobicContact CG-CE1 3.62Å
273Q87.9Confident88Confident79 Ų7953.6 Ų53.637%0.36927%0.266SS..Hα-helixtrans-48.8-40.8174.1-170.8177.814.100114.3G271 Q277G271-Q273 PolarHBondContact O-N 3.31Å; G271-Q273 VanDerWaalsContact O-N 3.13Å; Q273-Q277 VanDerWaalsContact O-CB 3.23Å; Q273-Q277 WeakPolarHBondContact O-CB 3.35Å; Q273-Q277 PolarHBondContact O-N 3.39Å
274K87.8Confident87.2Confident161 Ų16160.8 Ų60.870%0.731%0.305SS*.Hα-helixtrans-73-35.2-179.1-63.5177.2-178.7172.20111.5G271 M272 C278G271-K274 WeakPolarHBondContact O-CB 3.46Å; G271-K274 PolarHBondContact O-N 3.35Å; M272-K274 PolarHBondContact O-N 3.3Å; M272-K274 VanDerWaalsContact O-N 3.13Å; K274-C278 WeakPolarHBondContact O-CB 3.44Å; K274-C278 PolarHBondContact O-N 3.05Å
275I90.4Very high86.6Confident7 Ų762.5 Ų62.54%0.03632%0.316CS..Hα-helixtrans-68.6-50178.2-60.5168.1000109.4I227 L230 N231 G271 M272 Q277 C278 H279I227-I275 HydrophobicContact CD1-CD1 4.27Å; I227-I275 HydrophobicContact CG2-CD1 3.84Å; L230-I275 HydrophobicContact CB-CG2 3.98Å; L230-I275 WeakPolarHBondContact O-CG2 3.21Å; N231-I275 HydrophobicContact CB-CD1 3.79Å; N231-I275 HydrophobicContact CB-CG1 4.12Å; G271-I275 PolarHBondContact O-N 3.32Å; M272-I275 WeakPolarHBondContact O-CB 3.19Å; M272-I275 PolarHBondContact O-N 3.4Å; I275-Q277 PolarHBondContact O-N 3.41Å; I275-C278 PolarHBondContact O-N 2.69Å; I275-H279 PolarHBondContact O-CD2 2.94Å; I275-H279 PolarHBondContact O-N 2.99Å
276V88.9Confident86.4Confident4 Ų464.1 Ų64.12%0.02433%0.325CS..Hα-helixtrans-56.5-49.8175.2176.30000110.8M272 C278 H279 L280 L293 Y296 E297M272-V276 HydrophobicContact CG-CG2 4.04Å; M272-V276 WeakPolarHBondContact O-CG2 3.35Å; M272-V276 PolarHBondContact O-N 3.26Å; M272-V276 HydrophobicContact SD-CG2 4.02Å; V276-C278 PolarHBondContact O-N 3.24Å; V276-H279 PolarHBondContact O-N 3.43Å; V276-L280 HydrophobicContact CG1-CD1 3.71Å; V276-L280 HydrophobicContact CG1-CG 4.4Å; V276-L280 WeakPolarHBondContact O-CB 3.47Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.22Å; V276-L293 HydrophobicContact CB-CD2 4.42Å; V276-L293 HydrophobicContact CG1-CB 4.45Å; V276-L293 HydrophobicContact CG1-CD2 4.48Å; V276-L293 HydrophobicContact CG2-CD2 3.96Å; V276-Y296 HydrophobicContact CG2-CD1 4.25Å; V276-E297 HydrophobicContact CG1-CG 3.86Å
277Q87.9Confident86.2Confident120 Ų12067.7 Ų67.756%0.56135%0.348SS*.Hα-helixtrans-65.3-37.1178.7-171.8175.817.700113Q273 I275 T281Q273-Q277 VanDerWaalsContact O-CB 3.23Å; Q273-Q277 WeakPolarHBondContact O-CB 3.35Å; Q273-Q277 PolarHBondContact O-N 3.39Å; I275-Q277 PolarHBondContact O-N 3.41Å; Q277-T281 HydrophobicContact CG-CG2 4.38Å; Q277-T281 WeakPolarHBondContact O-CB 3.45Å; Q277-T281 VanDerWaalsContact O-CG2 3.29Å; Q277-T281 WeakPolarHBondContact O-CG2 3.48Å; Q277-T281 PolarHBondContact O-N 3.07Å; Q277-T281 PolarHBondContact O-OG1 3.43Å
278C88.2Confident85.8Confident49 Ų4972.9 Ų72.933%0.33137%0.372SS..Hα-helixtrans-63.6-47.8177.1-174.50000111.2K274 I275 V276 T281 K282K274-C278 WeakPolarHBondContact O-CB 3.44Å; K274-C278 PolarHBondContact O-N 3.05Å; I275-C278 PolarHBondContact O-N 2.69Å; V276-C278 PolarHBondContact O-N 3.24Å; C278-T281 PolarHBondContact O-N 3.42Å; C278-T281 PolarHBondContact O-OG1 3.06Å; C278-K282 WeakPolarHBondContact O-CG 3.41Å
279H86.8Confident85.8Confident12 Ų1272.3 Ų72.36%0.05637%0.37CS..Hα-helixtrans-70-46.7-179.1-70.4-53.6000112.1L230 I275 V276 T281 K282 C285 L293L230-H279 PolarHBondContact O-NE2 3.47Å; I275-H279 PolarHBondContact O-CD2 2.94Å; I275-H279 PolarHBondContact O-N 2.99Å; V276-H279 PolarHBondContact O-N 3.43Å; H279-T281 PolarHBondContact O-N 3.03Å; H279-T281 VanDerWaalsContact O-N 3.14Å; H279-K282 PolarHBondContact CE1-NZ 3.13Å; H279-K282 PolarHBondContact ND1-NZ 2.57Å; H279-K282 WeakPolarHBondContact O-CB 3.3Å; H279-K282 PolarHBondContact O-N 3.17Å; H279-K282 VanDerWaalsContact O-N 3.09Å; H279-C285 WeakPolarHBondContact O-CB 3.5Å; H279-C285 PolarHBondContact O-SG 3.13Å; H279-C285 VanDerWaalsContact O-SG 3.35Å; H279-L293 HydrophobicContact CB-CD1 3.56Å
280L86.3Confident85.9Confident60 Ų6067.3 Ų67.331%0.31435%0.349SS..Hα-helixtrans-65.4-14.9178.8-68.8177.1000114.5V276 A290 L293V276-L280 HydrophobicContact CG1-CD1 3.71Å; V276-L280 HydrophobicContact CG1-CG 4.4Å; V276-L280 WeakPolarHBondContact O-CB 3.47Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.22Å; L280-A290 HydrophobicContact CD2-CB 4.06Å; L280-L293 HydrophobicContact CD1-CB 4.35Å; L280-L293 HydrophobicContact CD2-CB 4.03Å; L280-L293 HydrophobicContact CD2-CD1 4.24Å; L280-L293 HydrophobicContact CG-CB 4.17Å; L280-L293 HydrophobicContact CG-CD1 4.23Å
281T85.2Confident85.9Confident101 Ų10168.1 Ų68.162%0.6235%0.352SS*.THydrogen-bonded Turntrans-97.4-3174.755.70000114.2Q277 C278 H279Q277-T281 HydrophobicContact CG-CG2 4.38Å; Q277-T281 WeakPolarHBondContact O-CB 3.45Å; Q277-T281 VanDerWaalsContact O-CG2 3.29Å; Q277-T281 WeakPolarHBondContact O-CG2 3.48Å; Q277-T281 PolarHBondContact O-N 3.07Å; Q277-T281 PolarHBondContact O-OG1 3.43Å; C278-T281 PolarHBondContact O-N 3.42Å; C278-T281 PolarHBondContact O-OG1 3.06Å; H279-T281 PolarHBondContact O-N 3.03Å; H279-T281 VanDerWaalsContact O-N 3.14Å
282K84.2Confident86Confident70 Ų7068.8 Ų68.830%0.30435%0.351SS..SBendtrans-72.6129.1172-72166.1-170.3174.10109.9E233 C278 H279 N284 C285E233-K282 WeakPolarHBondContact OE1-CE 3.38Å; E233-K282 IonicContact OE1-NZ 2.78Å; E233-K282 PolarHBondContact OE1-NZ 2.91Å; C278-K282 WeakPolarHBondContact O-CG 3.41Å; H279-K282 PolarHBondContact CE1-NZ 3.13Å; H279-K282 PolarHBondContact ND1-NZ 2.57Å; H279-K282 WeakPolarHBondContact O-CB 3.3Å; H279-K282 PolarHBondContact O-N 3.17Å; H279-K282 VanDerWaalsContact O-N 3.09Å; K282-N284 PolarHBondContact O-N 3Å; K282-C285 PolarHBondContact O-N 3.33Å
283K70.2Confident86Confident210 Ų21068.9 Ų68.991%0.91335%0.351SS*.THydrogen-bonded Turntrans-58.2-23.5-177.9-69.5-172.2176.2-175.70114.5
284N75.1Confident86.1Confident155 Ų15567.8 Ų67.883%0.82935%0.348SS*.THydrogen-bonded Turntrans-121.143179.4-5826.9000109.6K282K282-N284 PolarHBondContact O-N 3Å
285C79.8Confident86.1Confident37 Ų3760.9 Ų60.925%0.2532%0.319CS..  trans-65.6132.4167.6-164.60000108.6H279 K282H279-C285 WeakPolarHBondContact O-CB 3.5Å; H279-C285 PolarHBondContact O-SG 3.13Å; H279-C285 VanDerWaalsContact O-SG 3.35Å; K282-C285 PolarHBondContact O-N 3.33Å
286D86.8Confident86.2Confident51 Ų5160.6 Ų60.627%0.27332%0.317SS..  trans-68.1140178.3177.5-86.8000111.1L237 E288 L289 A290L237-D286 HydrophobicContact CD1-CB 3.59Å; L237-D286 HydrophobicContact CD2-CB 3.87Å; L237-D286 WeakPolarHBondContact CD2-OD2 3.25Å; L237-D286 HydrophobicContact CG-CB 4.39Å; D286-E288 PolarHBondContact O-N 3.05Å; D286-E288 WeakPolarHBondContact OD1-CB 3.35Å; D286-E288 PolarHBondContact OD1-N 3.2Å; D286-L289 HydrophobicContact CB-CB 4.27Å; D286-L289 PolarHBondContact OD1-N 3.23Å; D286-A290 WeakPolarHBondContact O-CB 3.04Å; D286-A290 PolarHBondContact O-N 3.28Å
287P85.9Confident86.3Confident102 Ų10261.9 Ų61.966%0.66232%0.323SS*.Hα-helixtrans-62.4-35.7-176.924.6-35.8000114.5A290 E291P287-A290 PolarHBondContact O-N 3.26Å; P287-E291 PolarHBondContact O-N 3Å
288E85.2Confident86.3Confident109 Ų10956.2 Ų56.251%0.50930%0.297SS..Hα-helixtrans-73.8-44.6-178.4-172.3178.7169.100110.4I241 D286 A290 E291 Q292I241-E288 HydrophobicContact CD1-CB 4.03Å; I241-E288 HydrophobicContact CD1-CG 4.07Å; I241-E288 HydrophobicContact CG2-CG 4.22Å; D286-E288 PolarHBondContact O-N 3.05Å; D286-E288 WeakPolarHBondContact OD1-CB 3.35Å; D286-E288 PolarHBondContact OD1-N 3.2Å; E288-A290 VanDerWaalsContact C-N 3.3Å; E288-A290 PolarHBondContact O-N 2.91Å; E288-E291 PolarHBondContact O-N 3.24Å; E288-Q292 WeakPolarHBondContact O-CG 3.34Å; E288-Q292 PolarHBondContact O-N 2.93Å
289L89.2Confident86.2Confident7 Ų754.4 Ų54.44%0.03729%0.285CS..Hα-helixtrans-62-39.4171.6-177.959.7000111.4L237 L240 I241 D286 Q292 L293L237-L289 HydrophobicContact CD1-CB 3.88Å; L237-L289 HydrophobicContact CD1-CD2 3.96Å; L240-L289 HydrophobicContact CB-CD1 3.85Å; L240-L289 HydrophobicContact CB-CD2 3.94Å; L240-L289 HydrophobicContact CD1-CD2 3.85Å; I241-L289 HydrophobicContact CG1-CB 3.94Å; I241-L289 HydrophobicContact CG1-CD1 4.32Å; D286-L289 HydrophobicContact CB-CB 4.27Å; D286-L289 PolarHBondContact OD1-N 3.23Å; L289-Q292 PolarHBondContact O-N 3.28Å; L289-L293 HydrophobicContact CD1-CD1 4.32Å; L289-L293 HydrophobicContact CD1-CG 4.33Å; L289-L293 HydrophobicContact CG-CD1 4Å; L289-L293 HydrophobicContact CG-CG 4.47Å; L289-L293 WeakPolarHBondContact O-CB 3.36Å; L289-L293 WeakPolarHBondContact O-CG 3.23Å; L289-L293 PolarHBondContact O-N 3.45Å
290A89.1Confident86.3Confident18 Ų1854.2 Ų54.215%0.14928%0.284CS..Hα-helixtrans-65.2-38.817600000112.3L280 D286 P287 E288 L293 N294L280-A290 HydrophobicContact CD2-CB 4.06Å; D286-A290 WeakPolarHBondContact O-CB 3.04Å; D286-A290 PolarHBondContact O-N 3.28Å; P287-A290 PolarHBondContact O-N 3.26Å; E288-A290 VanDerWaalsContact C-N 3.3Å; E288-A290 PolarHBondContact O-N 2.91Å; A290-L293 PolarHBondContact O-N 2.63Å; A290-N294 WeakPolarHBondContact O-CB 3.41Å; A290-N294 PolarHBondContact O-N 3.25Å; A290-N294 PolarHBondContact O-ND2 3.47Å
291E88.6Confident86.2Confident60 Ų6055.9 Ų55.928%0.2829%0.286SS..Hα-helixtrans-63.3-47174.5-175.6160.2-150.100111P287 E288 L293 N294 L295 P314 G317P287-E291 PolarHBondContact O-N 3Å; E288-E291 PolarHBondContact O-N 3.24Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 3.18Å; E291-N294 PolarHBondContact O-N 2.74Å; E291-L295 WeakPolarHBondContact O-CB 3.39Å; E291-L295 PolarHBondContact O-N 2.93Å; E291-P314 WeakPolarHBondContact OE1-CG 3.45Å; E291-G317 PolarHBondContact OE1-N 3.43Å
292Q90.3Very high86.2Confident32 Ų3252.5 Ų52.515%0.1526%0.262CS..Hα-helixtrans-61.2-37.8176.4-65.9-61.8-26.500112.7M244 N248 E288 L289 Y296M244-Q292 HydrophobicContact CB-CB 4.01Å; M244-Q292 HydrophobicContact CG-CB 3.71Å; N248-Q292 PolarHBondContact ND2-O 3.23Å; N248-Q292 PolarHBondContact ND2-OE1 3.49Å; E288-Q292 WeakPolarHBondContact O-CG 3.34Å; E288-Q292 PolarHBondContact O-N 2.93Å; L289-Q292 PolarHBondContact O-N 3.28Å; Q292-Y296 PolarHBondContact O-N 3.31Å
293L91.6Very high86.2Confident2 Ų249.4 Ų49.41%0.0125%0.249CC..Hα-helixtrans-68.7-38.5175.3-70.6169.9000112.4M244 V276 H279 L280 L289 A290 E291 E297M244-L293 HydrophobicContact CE-CD2 4.25Å; M244-L293 HydrophobicContact CG-CD2 4.26Å; M244-L293 HydrophobicContact SD-CD2 3.85Å; V276-L293 HydrophobicContact CB-CD2 4.42Å; V276-L293 HydrophobicContact CG1-CB 4.45Å; V276-L293 HydrophobicContact CG1-CD2 4.48Å; V276-L293 HydrophobicContact CG2-CD2 3.96Å; H279-L293 HydrophobicContact CB-CD1 3.56Å; L280-L293 HydrophobicContact CD1-CB 4.35Å; L280-L293 HydrophobicContact CD2-CB 4.03Å; L280-L293 HydrophobicContact CD2-CD1 4.24Å; L280-L293 HydrophobicContact CG-CB 4.17Å; L280-L293 HydrophobicContact CG-CD1 4.23Å; L289-L293 HydrophobicContact CD1-CD1 4.32Å; L289-L293 HydrophobicContact CD1-CG 4.33Å; L289-L293 HydrophobicContact CG-CD1 4Å; L289-L293 HydrophobicContact CG-CG 4.47Å; L289-L293 WeakPolarHBondContact O-CB 3.36Å; L289-L293 WeakPolarHBondContact O-CG 3.23Å; L289-L293 PolarHBondContact O-N 3.45Å; A290-L293 PolarHBondContact O-N 2.63Å; E291-L293 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 3.18Å; L293-E297 PolarHBondContact O-N 3.11Å
294N90.2Very high86.8Confident57 Ų5739.8 Ų39.831%0.30521%0.207SC..Hα-helixtrans-71.9-32.6176.2-75.5-62.9000112.6A290 E291 Y296 E297 A298 L313A290-N294 WeakPolarHBondContact O-CB 3.41Å; A290-N294 PolarHBondContact O-N 3.25Å; A290-N294 PolarHBondContact O-ND2 3.47Å; E291-N294 PolarHBondContact O-N 2.74Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.1Å; N294-E297 PolarHBondContact O-N 2.86Å; N294-A298 WeakPolarHBondContact O-CB 3.45Å; N294-A298 PolarHBondContact O-N 3.32Å; N294-L313 HydrophobicContact CB-CD2 3.77Å
295L89.3Confident86.9Confident16 Ų1634.3 Ų34.38%0.08419%0.187CC..Hα-helixtrans-60.6-41.6176.3-178.259.5000111.8N248 E291 A298 S299 L313 G317 L321N248-L295 HydrophobicContact CB-CD2 4.08Å; E291-L295 WeakPolarHBondContact O-CB 3.39Å; E291-L295 PolarHBondContact O-N 2.93Å; L295-A298 PolarHBondContact O-N 3.26Å; L295-S299 WeakPolarHBondContact O-CB 3.27Å; L295-S299 PolarHBondContact O-N 3.45Å; L295-L313 HydrophobicContact CD1-CD1 4.17Å; L295-G317 WeakPolarHBondContact CD1-O 3.46Å; L295-L321 HydrophobicContact CD1-CD1 4.43Å; L295-L321 HydrophobicContact CD1-CD2 4.41Å; L295-L321 HydrophobicContact CD1-CG 3.87Å
296Y91.8Very high86.9Confident1 Ų135 Ų350%0.00419%0.187CC..Hα-helixtrans-61.2-49.1173.3178.6-100.4000112.6M244 L251 L267 E268 M272 V276 Q292 N294 A298 S299 L300M244-Y296 HydrophobicContact CE-CD1 4.34Å; M244-Y296 HydrophobicContact CE-CD2 3.98Å; M244-Y296 HydrophobicContact CE-CG 3.65Å; L251-Y296 HydrophobicContact CD1-CD2 3.76Å; L251-Y296 HydrophobicContact CD1-CE2 3.63Å; L267-Y296 HydrophobicContact CD1-CE2 4.04Å; E268-Y296 PolarHBondContact OE1-OH 3Å; M272-Y296 HydrophobicContact CG-CD1 4.44Å; M272-Y296 HydrophobicContact CG-CE1 3.62Å; V276-Y296 HydrophobicContact CG2-CD1 4.25Å; Q292-Y296 PolarHBondContact O-N 3.31Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.1Å; Y296-A298 VanDerWaalsContact C-N 3.32Å; Y296-A298 PolarHBondContact O-N 2.94Å; Y296-S299 PolarHBondContact O-N 3.48Å; Y296-L300 HydrophobicContact CD1-CD1 4.11Å; Y296-L300 HydrophobicContact CE1-CD1 3.54Å; Y296-L300 HydrophobicContact CE1-CG 4.38Å; Y296-L300 PolarHBondContact O-N 3.33Å
297E89.9Confident86.2Confident30 Ų3038 Ų3814%0.1420%0.203CC..Hα-helixtrans-61.6-38.4178.1-69.3-66.6134.200112.5V276 L293 N294 R301 R1461V276-E297 HydrophobicContact CG1-CG 3.86Å; L293-E297 PolarHBondContact O-N 3.11Å; N294-E297 PolarHBondContact O-N 2.86Å; E297-R301 WeakPolarHBondContact O-CD 3.34Å; E297-R301 VanDerWaalsContact O-CG 3.23Å; E297-R301 WeakPolarHBondContact O-CG 3.46Å; E297-R301 PolarHBondContact O-N 2.81Å; E297-R301 VanDerWaalsContact O-N 3.16Å; E297-R1461 IonicContact OE1-CZ 3.82Å; E297-R1461 IonicContact OE1-NH1 2.73Å; E297-R1461 PolarHBondContact OE1-NH1 3.25Å; E297-R1461 IonicContact OE1-NH2 3.09Å; E297-R1461 PolarHBondContact OE1-NH2 2.88Å; E297-R1461 IonicContact OE2-CZ 2.96Å; E297-R1461 IonicContact OE2-NH1 2.67Å; E297-R1461 PolarHBondContact OE2-NH1 2.98Å
298A87.7Confident85.5Confident2 Ų236.2 Ų36.22%0.01719%0.185CC..Hα-helixtrans-70.5-39.7176.400000112.3N294 L295 Y296 R301 Y302 L311 L313 L321N294-A298 WeakPolarHBondContact O-CB 3.45Å; N294-A298 PolarHBondContact O-N 3.32Å; L295-A298 PolarHBondContact O-N 3.26Å; Y296-A298 VanDerWaalsContact C-N 3.32Å; Y296-A298 PolarHBondContact O-N 2.94Å; A298-R301 PolarHBondContact O-N 3.27Å; A298-Y302 WeakPolarHBondContact O-CB 3.36Å; A298-Y302 PolarHBondContact O-N 3.08Å; A298-L311 HydrophobicContact CB-CD2 4.39Å; A298-L313 HydrophobicContact CB-CD1 3.38Å; A298-L313 HydrophobicContact CB-CG 3.91Å; A298-L321 HydrophobicContact CB-CD1 4.06Å
299S87.9Confident84.7Confident10 Ų1037.3 Ų37.37%0.0719%0.194CC..Hα-helixtrans-60.8-44.7176.2-172.10000111.7L295 Y296 Y302 E303L295-S299 WeakPolarHBondContact O-CB 3.27Å; L295-S299 PolarHBondContact O-N 3.45Å; Y296-S299 PolarHBondContact O-N 3.48Å; S299-Y302 PolarHBondContact O-N 3.16Å; S299-E303 PolarHBondContact O-N 2.77Å; S299-E303 VanDerWaalsContact O-N 3.15Å
300L87.1Confident83.8Confident8 Ų844 Ų444%0.04223%0.225CC..Hα-helixtrans-58.3-52.1172.5-74.7177.6000112.1F260 T264 Y296 Y302 E303 D304F260-L300 HydrophobicContact CE1-CD2 4.38Å; F260-L300 HydrophobicContact CZ-CD2 4.44Å; T264-L300 HydrophobicContact CG2-CD2 3.76Å; Y296-L300 HydrophobicContact CD1-CD1 4.11Å; Y296-L300 HydrophobicContact CE1-CD1 3.54Å; Y296-L300 HydrophobicContact CE1-CG 4.38Å; Y296-L300 PolarHBondContact O-N 3.33Å; L300-Y302 VanDerWaalsContact C-N 3.35Å; L300-Y302 PolarHBondContact O-N 3.09Å; L300-E303 PolarHBondContact O-N 3.44Å; L300-D304 VanDerWaalsContact O-CB 3.24Å; L300-D304 WeakPolarHBondContact O-CB 3.5Å; L300-D304 PolarHBondContact O-N 3.33Å
301R84.5Confident82.9Confident96 Ų9643.3 Ų43.336%0.36222%0.219SC..Hα-helixtrans-60.6-42.1-179.5-73.6170.3-166.9-139.911.8112.8E297 A298 D304 G305 E306 L311E297-R301 WeakPolarHBondContact O-CD 3.34Å; E297-R301 VanDerWaalsContact O-CG 3.23Å; E297-R301 WeakPolarHBondContact O-CG 3.46Å; E297-R301 PolarHBondContact O-N 2.81Å; E297-R301 VanDerWaalsContact O-N 3.16Å; A298-R301 PolarHBondContact O-N 3.27Å; R301-D304 PolarHBondContact O-N 3.46Å; R301-G305 PolarHBondContact O-N 3.13Å; R301-E306 HydrophobicContact CB-CB 4.32Å; R301-E306 WeakPolarHBondContact CB-OE2 3.39Å; R301-E306 WeakPolarHBondContact CD-OE2 3.27Å; R301-E306 VanDerWaalsContact CG-OE2 3.3Å; R301-E306 WeakPolarHBondContact CG-OE2 3.28Å; R301-E306 WeakPolarHBondContact O-CB 3.43Å; R301-E306 PolarHBondContact O-N 2.81Å; R301-L311 HydrophobicContact CB-CD2 3.82Å
302Y85.1Confident82Confident30 Ų3044.2 Ų44.212%0.11823%0.23CC..Hα-helixtrans-59.8-59178.9-175.3-122.5000109.6A298 S299 L300 D304 G305 F308 L311 R325A298-Y302 WeakPolarHBondContact O-CB 3.36Å; A298-Y302 PolarHBondContact O-N 3.08Å; S299-Y302 PolarHBondContact O-N 3.16Å; L300-Y302 VanDerWaalsContact C-N 3.35Å; L300-Y302 PolarHBondContact O-N 3.09Å; Y302-D304 VanDerWaalsContact C-N 3.28Å; Y302-D304 PolarHBondContact O-N 2.92Å; Y302-G305 PolarHBondContact O-N 3.37Å; Y302-G305 VanDerWaalsContact O-N 3.09Å; Y302-F308 HydrophobicContact CD2-CB 4.36Å; Y302-F308 HydrophobicContact CD2-CD2 4.09Å; Y302-F308 HydrophobicContact CE2-CB 3.92Å; Y302-F308 AromaticContact CE2-CD2 3.79Å; Y302-F308 HydrophobicContact CE2-CD2 3.79Å; Y302-F308 HydrophobicContact CE2-CG 4.35Å; Y302-L311 HydrophobicContact CD2-CD1 4.24Å; Y302-L311 HydrophobicContact CG-CD1 4.38Å; Y302-R325 PolarHBondContact O-NH1 3.44Å; Y302-R325 PolarHBondContact O-NH2 3.48Å
303E85.1Confident81.1Confident4 Ų443.5 Ų43.52%0.01923%0.227CC..Hα-helixtrans-58.5-37.2176.8-80.5-67.5171.800113Q257 F260 Y261 S299 L300 G305 R325 R326Q257-E303 PolarHBondContact NE2-OE2 2.98Å; F260-E303 HydrophobicContact CD1-CB 4.34Å; F260-E303 HydrophobicContact CD1-CG 4.1Å; F260-E303 HydrophobicContact CE1-CB 3.82Å; F260-E303 HydrophobicContact CE1-CG 3.8Å; F260-E303 HydrophobicContact CZ-CB 4.38Å; F260-E303 HydrophobicContact CZ-CG 4.09Å; Y261-E303 PolarHBondContact OH-O 2.86Å; S299-E303 PolarHBondContact O-N 2.77Å; S299-E303 VanDerWaalsContact O-N 3.15Å; L300-E303 PolarHBondContact O-N 3.44Å; E303-G305 PolarHBondContact O-N 3.43Å; E303-G305 VanDerWaalsContact O-N 3.15Å; E303-R325 PolarHBondContact O-NH1 3.31Å; E303-R326 WeakPolarHBondContact OE1-CB 3.49Å; E303-R326 WeakPolarHBondContact OE1-CD 3.49Å; E303-R326 VanDerWaalsContact OE1-CG 3.26Å; E303-R326 WeakPolarHBondContact OE1-CG 3.41Å; E303-R326 IonicContact OE1-CZ 3.66Å; E303-R326 PolarHBondContact OE1-N 3Å; E303-R326 IonicContact OE1-NH1 3.77Å; E303-R326 PolarHBondContact OE1-NH1 2.89Å
304D83Confident80Confident9 Ų947 Ų475%0.04825%0.25CC..Hα-helixtrans-64.2-17.8178.1-103.2-24.6000114.5Y261 L300 R301 Y302 F1458 S1459 R1462Y261-D304 PolarHBondContact OH-N 2.95Å; Y261-D304 PolarHBondContact OH-OD1 2.83Å; L300-D304 VanDerWaalsContact O-CB 3.24Å; L300-D304 WeakPolarHBondContact O-CB 3.5Å; L300-D304 PolarHBondContact O-N 3.33Å; R301-D304 PolarHBondContact O-N 3.46Å; Y302-D304 VanDerWaalsContact C-N 3.28Å; Y302-D304 PolarHBondContact O-N 2.92Å; D304-F1458 VanDerWaalsContact O-CD1 3.31Å; D304-F1458 WeakPolarHBondContact O-CD1 3.29Å; D304-F1458 WeakPolarHBondContact O-CE1 3.33Å; D304-F1458 VanDerWaalsContact OD1-CA 3.31Å; D304-F1458 WeakPolarHBondContact OD1-CA 3.3Å; D304-F1458 WeakPolarHBondContact OD1-CB 3.44Å; D304-S1459 PolarHBondContact OD1-N 2.96Å; D304-S1459 PolarHBondContact OD1-OG 3.11Å; D304-S1459 WeakPolarHBondContact OD2-CB 3.47Å; D304-S1459 PolarHBondContact OD2-OG 3.37Å; D304-R1462 PolarHBondContact O-NH1 3.17Å; D304-R1462 WeakPolarHBondContact OD2-CB 3.47Å; D304-R1462 IonicContact OD2-NE 3.73Å
305G77.3Confident78.8Confident39 Ų3947.5 Ų47.540%0.40226%0.262SS..THydrogen-bonded Turntrans116.520.7174.800000116R301 Y302 E303R301-G305 PolarHBondContact O-N 3.13Å; Y302-G305 PolarHBondContact O-N 3.37Å; Y302-G305 VanDerWaalsContact O-N 3.09Å; E303-G305 PolarHBondContact O-N 3.43Å; E303-G305 VanDerWaalsContact O-N 3.15Å
306E79.1Confident77.6Confident53 Ų5350.3 Ų50.325%0.24828%0.283CS..  trans-85.6149.3168.2-71.9161-142.700110.2R301 R325 R1462R301-E306 HydrophobicContact CB-CB 4.32Å; R301-E306 WeakPolarHBondContact CB-OE2 3.39Å; R301-E306 WeakPolarHBondContact CD-OE2 3.27Å; R301-E306 VanDerWaalsContact CG-OE2 3.3Å; R301-E306 WeakPolarHBondContact CG-OE2 3.28Å; R301-E306 WeakPolarHBondContact O-CB 3.43Å; R301-E306 PolarHBondContact O-N 2.81Å; E306-R325 PolarHBondContact O-NH2 3.16Å; E306-R1462 IonicContact OE1-CZ 3.09Å; E306-R1462 IonicContact OE1-NH2 2.68Å; E306-R1462 PolarHBondContact OE1-NH2 3.37Å
307D73.2Confident76.3Confident113 Ų11350.3 Ų50.360%0.60428%0.283SS*.  trans-78.5141.7-177.5-77.3-40.3000110.6D309 E310D307-D309 PolarHBondContact O-N 3.42Å; D307-D309 VanDerWaalsContact O-N 3.13Å; D307-E310 PolarHBondContact O-N 2.78Å
308F69.7Low75.3Confident65 Ų6551.9 Ų51.929%0.28529%0.288SS..G310 helixtrans-56.9-34.3-170.4-170.6-100.4000113.2Y302 E310 L311 R318 L321Y302-F308 HydrophobicContact CD2-CB 4.36Å; Y302-F308 HydrophobicContact CD2-CD2 4.09Å; Y302-F308 HydrophobicContact CE2-CB 3.92Å; Y302-F308 AromaticContact CE2-CD2 3.79Å; Y302-F308 HydrophobicContact CE2-CD2 3.79Å; Y302-F308 HydrophobicContact CE2-CG 4.35Å; F308-E310 VanDerWaalsContact C-N 3.33Å; F308-E310 PolarHBondContact O-N 2.88Å; F308-L311 HydrophobicContact CD2-CD1 4.1Å; F308-L311 PolarHBondContact O-N 3.27Å; F308-R318 HydrophobicContact CE1-CB 4.32Å; F308-R318 HydrophobicContact CZ-CB 4.08Å; F308-R318 WeakPolarHBondContact CZ-O 3.38Å; F308-L321 HydrophobicContact CE2-CB 4.04Å; F308-L321 HydrophobicContact CE2-CD1 4.43Å
309D68.5Low74.3Confident132 Ų13258.3 Ų58.371%0.70632%0.318SS*.G310 helixtrans-71.2-24.1179.7-69.2-48.1000113.9D307 L311 R318D307-D309 PolarHBondContact O-N 3.42Å; D307-D309 VanDerWaalsContact O-N 3.13Å; D309-L311 VanDerWaalsContact C-N 3.32Å; D309-R318 PolarHBondContact O-NH2 2.94Å; D309-R318 IonicContact OD1-NH1 3.35Å
310E70.3Confident73.4Confident147 Ų14760.7 Ų60.769%0.68733%0.334SS*.G310 helixtrans-84-5.1-179.7-59.2-166.3143.100113.3D307 F308D307-E310 PolarHBondContact O-N 2.78Å; F308-E310 VanDerWaalsContact C-N 3.33Å; F308-E310 PolarHBondContact O-N 2.88Å
311L70.3Confident72.9Confident3 Ų360.4 Ų60.42%0.01633%0.333CS..SBendtrans-72.3129.6-177.9-61174.5000111.7A298 R301 Y302 F308 D309 L313 R318 L321A298-L311 HydrophobicContact CB-CD2 4.39Å; R301-L311 HydrophobicContact CB-CD2 3.82Å; Y302-L311 HydrophobicContact CD2-CD1 4.24Å; Y302-L311 HydrophobicContact CG-CD1 4.38Å; F308-L311 HydrophobicContact CD2-CD1 4.1Å; F308-L311 PolarHBondContact O-N 3.27Å; D309-L311 VanDerWaalsContact C-N 3.32Å; L311-L313 PolarHBondContact O-N 2.9Å; L311-R318 PolarHBondContact O-NH2 3.09Å; L311-L321 HydrophobicContact CD1-CD1 3.96Å
312P69.8Low72.6Confident80 Ų8059.6 Ų59.652%0.51933%0.33SS..  trans-81.860.8-175.135.3-37.7000112.3
313L71.5Confident71.8Confident16 Ų1666.6 Ų66.68%0.08436%0.364CS..  trans-124.2147.4177.3-76.7176.3000112.1N294 L295 A298 L311 R318 L321N294-L313 HydrophobicContact CB-CD2 3.77Å; L295-L313 HydrophobicContact CD1-CD1 4.17Å; A298-L313 HydrophobicContact CB-CD1 3.38Å; A298-L313 HydrophobicContact CB-CG 3.91Å; L311-L313 PolarHBondContact O-N 2.9Å; L313-R318 HydrophobicContact CB-CG 3.93Å; L313-R318 PolarHBondContact O-NE 3.22Å; L313-L321 HydrophobicContact CD1-CD1 3.58Å
314P69.1Low71.1Confident75 Ų7567.5 Ų67.549%0.48737%0.374SS..  trans-65.8168.6166.932.7-36.5000111E291 S316 G317 R318E291-P314 WeakPolarHBondContact OE1-CG 3.45Å; P314-S316 PolarHBondContact O-N 3.01Å; P314-G317 PolarHBondContact O-N 3.38Å; P314-R318 WeakPolarHBondContact O-CG 3.21Å; P314-R318 PolarHBondContact O-N 3.31Å
315A65.6Low71Confident69 Ų6971.9 Ų71.957%0.5739%0.39SS*.Hα-helixtrans-55.3-46.7-17800000113G317 R318 E319A315-G317 PolarHBondContact O-N 3.5Å; A315-R318 WeakPolarHBondContact O-CA 3.26Å; A315-R318 WeakPolarHBondContact O-CB 3.32Å; A315-R318 PolarHBondContact O-N 3.47Å; A315-E319 PolarHBondContact O-N 3.31Å; A315-E319 VanDerWaalsContact O-N 3.07Å
316S62.6Low71.5Confident74 Ų7470.5 Ų70.552%0.51737%0.373SS..Hα-helixtrans-51.3-56.6174.7-179.60000112.7P314 R318 E319 S320P314-S316 PolarHBondContact O-N 3.01Å; S316-R318 PolarHBondContact O-N 3.18Å; S316-E319 PolarHBondContact O-N 3.24Å; S316-E319 VanDerWaalsContact O-N 3.08Å; S316-S320 PolarHBondContact O-N 2.95Å
317G65.8Low71.8Confident1 Ų171.7 Ų71.71%0.0138%0.379CS..Hα-helixtrans-61-25.9175.900000114.7E291 L295 P314 A315E291-G317 PolarHBondContact OE1-N 3.43Å; L295-G317 WeakPolarHBondContact CD1-O 3.46Å; P314-G317 PolarHBondContact O-N 3.38Å; A315-G317 PolarHBondContact O-N 3.5Å
318R68.5Low72.3Confident63 Ų6367.9 Ų67.924%0.23836%0.361CS..Hα-helixtrans-74.5-32.3173.7-70.4178.2175.7-140.4-8.1112.7F308 D309 L311 L313 P314 A315 S316 S320 L321F308-R318 HydrophobicContact CE1-CB 4.32Å; F308-R318 HydrophobicContact CZ-CB 4.08Å; F308-R318 WeakPolarHBondContact CZ-O 3.38Å; D309-R318 PolarHBondContact O-NH2 2.94Å; D309-R318 IonicContact OD1-NH1 3.35Å; L311-R318 PolarHBondContact O-NH2 3.09Å; L313-R318 HydrophobicContact CB-CG 3.93Å; L313-R318 PolarHBondContact O-NE 3.22Å; P314-R318 WeakPolarHBondContact O-CG 3.21Å; P314-R318 PolarHBondContact O-N 3.31Å; A315-R318 WeakPolarHBondContact O-CA 3.26Å; A315-R318 WeakPolarHBondContact O-CB 3.32Å; A315-R318 PolarHBondContact O-N 3.47Å; S316-R318 PolarHBondContact O-N 3.18Å; R318-S320 VanDerWaalsContact C-N 3.29Å; R318-L321 PolarHBondContact O-N 3.32Å
319E65.8Low72.9Confident137 Ų13767.8 Ų67.864%0.6436%0.359SS*.Hα-helixtrans-71.7-27.9175.2-70.5167.8-166.600111.6A315 S316 L321A315-E319 PolarHBondContact O-N 3.31Å; A315-E319 VanDerWaalsContact O-N 3.07Å; S316-E319 PolarHBondContact O-N 3.24Å; S316-E319 VanDerWaalsContact O-N 3.08Å; E319-L321 PolarHBondContact O-N 3.49Å
320S70.7Confident73.4Confident60 Ų6066.4 Ų66.442%0.4236%0.355SS..THydrogen-bonded Turntrans-71.4-4.4171.8-62.40000114.8N252 S316 R318N252-S320 PolarHBondContact ND2-O 3.05Å; S316-S320 PolarHBondContact O-N 2.95Å; R318-S320 VanDerWaalsContact C-N 3.29Å
321L76.5Confident74Confident3 Ų363.9 Ų63.92%0.01634%0.344CS..SBendtrans-96.5132.4177.5-87.6159.4000112L295 A298 F308 L311 L313 R318 E319 Q323L295-L321 HydrophobicContact CD1-CD1 4.43Å; L295-L321 HydrophobicContact CD1-CD2 4.41Å; L295-L321 HydrophobicContact CD1-CG 3.87Å; A298-L321 HydrophobicContact CB-CD1 4.06Å; F308-L321 HydrophobicContact CE2-CB 4.04Å; F308-L321 HydrophobicContact CE2-CD1 4.43Å; L311-L321 HydrophobicContact CD1-CD1 3.96Å; L313-L321 HydrophobicContact CD1-CD1 3.58Å; R318-L321 PolarHBondContact O-N 3.32Å; E319-L321 PolarHBondContact O-N 3.49Å; L321-Q323 PolarHBondContact O-N 2.79Å
322R76.5Confident74.6Confident78 Ų7864.2 Ų64.229%0.29435%0.345SS..  trans-48.7120.4174.9-170.1178-165.3-89.81.1111.9N252 G324N252-R322 WeakPolarHBondContact OD1-CB 3.38Å; N252-R322 PolarHBondContact OD1-N 2.9Å; R322-G324 PolarHBondContact NH1-O 2.96Å; R322-G324 PolarHBondContact O-N 2.81Å
323Q68.6Low75Confident177 Ų17762.5 Ų62.583%0.82733%0.33SS*.SBendtrans-75.268.4-178.5-61.4-171.217.700112.2L321L321-Q323 PolarHBondContact O-N 2.79Å
324G71.8Confident75.3Confident23 Ų2369.1 Ų69.124%0.23736%0.358CS..SBendtrans137.8139.6176.700000113.2R322R322-G324 PolarHBondContact NH1-O 2.96Å; R322-G324 PolarHBondContact O-N 2.81Å
325R80.1Confident75.8Confident102 Ų10266.9 Ų66.939%0.38534%0.343SS..PPolyproline II helixtrans-56.9141.2175.6-64.1174.6176.6-68.8-19.9111.1Y302 E303 E306Y302-R325 PolarHBondContact O-NH1 3.44Å; Y302-R325 PolarHBondContact O-NH2 3.48Å; E303-R325 PolarHBondContact O-NH1 3.31Å; E306-R325 PolarHBondContact O-NH2 3.16Å
326R87.1Confident75.9Confident10 Ų1068.6 Ų68.64%0.03835%0.349CS..PPolyproline II helixtrans-69.9147.6174.3-66.4163.7-173.384.1-1.4110.6L251 N252 I254 Q257 E303L251-R326 PolarHBondContact O-NH2 3.44Å; N252-R326 PolarHBondContact O-NH2 2.95Å; I254-R326 WeakPolarHBondContact O-CD 3.48Å; I254-R326 PolarHBondContact O-NE 3.45Å; Q257-R326 HydrophobicContact CB-CB 3.84Å; E303-R326 WeakPolarHBondContact OE1-CB 3.49Å; E303-R326 WeakPolarHBondContact OE1-CD 3.49Å; E303-R326 VanDerWaalsContact OE1-CG 3.26Å; E303-R326 WeakPolarHBondContact OE1-CG 3.41Å; E303-R326 IonicContact OE1-CZ 3.66Å; E303-R326 PolarHBondContact OE1-N 3Å; E303-R326 IonicContact OE1-NH1 3.77Å; E303-R326 PolarHBondContact OE1-NH1 2.89Å
327M85.7Confident76.2Confident77 Ų7771 Ų7138%0.37935%0.352SS..BIsolated β-bridgetrans-86.5163.6171.268.6-17683.600110.5D256 Q257 Q331 F332 T335D256-M327 WeakPolarHBondContact CA-O 3.11Å; Q257-M327 PolarHBondContact N-O 2.89Å; M327-Q331 HydrophobicContact CB-CB 4.07Å; M327-Q331 HydrophobicContact CG-CB 4.01Å; M327-Q331 HydrophobicContact SD-CB 3.87Å; M327-F332 HydrophobicContact CG-CB 3.84Å; M327-F332 VanDerWaalsContact SD-CA 3.58Å; M327-F332 HydrophobicContact SD-CB 4.06Å; M327-F332 HydrophobicContact SD-CD2 4.48Å; M327-F332 PolarHBondContact SD-N 3.19Å; M327-T335 HydrophobicContact CE-CG2 4.27Å; M327-T335 HydrophobicContact SD-CG2 4.11Å
328S84.3Confident76.5Confident33 Ų3371 Ų7123%0.23135%0.352CS..PPolyproline II helixtrans-64.5154.817565.90000111.3V330 Q331 F332S328-V330 PolarHBondContact O-N 3.39Å; S328-V330 VanDerWaalsContact O-N 3.12Å; S328-Q331 WeakPolarHBondContact O-CA 3.19Å; S328-Q331 WeakPolarHBondContact O-CB 3.08Å; S328-Q331 PolarHBondContact O-N 3Å; S328-Q331 WeakPolarHBondContact OG-CG 3.35Å; S328-Q331 PolarHBondContact OG-OE1 2.7Å; S328-F332 PolarHBondContact O-N 3.05Å
329R83.1Confident76.6Confident64 Ų6473.6 Ų73.624%0.24237%0.366CS..Hα-helixtrans-56.5-33.5-179.6-161.6177.4-69.3152.3-11112.6D256 D258 T259 D262 Q331 F332 M333D256-R329 HydrophobicContact CB-CB 4.25Å; D256-R329 HydrophobicContact CB-CG 4.45Å; D256-R329 WeakPolarHBondContact OD1-CB 3.32Å; D256-R329 WeakPolarHBondContact OD1-CG 3.49Å; D256-R329 IonicContact OD1-CZ 3.8Å; D256-R329 IonicContact OD1-NE 2.61Å; D256-R329 PolarHBondContact OD1-NE 2.99Å; D256-R329 IonicContact OD1-NH2 3.29Å; D256-R329 IonicContact OD2-NE 2.72Å; D258-R329 VanDerWaalsContact C-NH2 3.29Å; D258-R329 HydrophobicContact CB-CB 4.08Å; D258-R329 WeakPolarHBondContact OD2-CB 3.19Å; D258-R329 PolarHBondContact OD2-N 2.97Å; T259-R329 PolarHBondContact OG1-NE 2.9Å; T259-R329 PolarHBondContact OG1-NH2 2.92Å; D262-R329 IonicContact OD2-CZ 2.7Å; D262-R329 IonicContact OD2-NH1 2.8Å; D262-R329 PolarHBondContact OD2-NH1 2.86Å; D262-R329 IonicContact OD2-NH2 3.92Å; D262-R329 PolarHBondContact OD2-NH2 3.41Å; R329-Q331 VanDerWaalsContact C-N 3.31Å; R329-Q331 PolarHBondContact O-N 3.34Å; R329-F332 PolarHBondContact O-N 3.15Å; R329-M333 HydrophobicContact CG-CE 4.39Å; R329-M333 HydrophobicContact CG-CG 4.42Å; R329-M333 WeakPolarHBondContact O-CB 3.4Å; R329-M333 WeakPolarHBondContact O-CG 3.39Å; R329-M333 PolarHBondContact O-N 3.46Å
330V77.4Confident76.6Confident103 Ų10369.5 Ų69.562%0.62436%0.356SS*.Hα-helixtrans-74.3-18.9178.9-177.40000113S328 K334S328-V330 PolarHBondContact O-N 3.39Å; S328-V330 VanDerWaalsContact O-N 3.12Å; V330-K334 WeakPolarHBondContact O-CD 3.2Å; V330-K334 VanDerWaalsContact O-CE 3.26Å; V330-K334 WeakPolarHBondContact O-CE 3.12Å
331Q83.2Confident76.4Confident94 Ų9467 Ų6744%0.43934%0.338SS..Hα-helixtrans-88.2-43.5169.9-71.8156.2-29.900110.6M327 S328 R329 M333 K334M327-Q331 HydrophobicContact CB-CB 4.07Å; M327-Q331 HydrophobicContact CG-CB 4.01Å; M327-Q331 HydrophobicContact SD-CB 3.87Å; S328-Q331 WeakPolarHBondContact O-CA 3.19Å; S328-Q331 WeakPolarHBondContact O-CB 3.08Å; S328-Q331 PolarHBondContact O-N 3Å; S328-Q331 WeakPolarHBondContact OG-CG 3.35Å; S328-Q331 PolarHBondContact OG-OE1 2.7Å; R329-Q331 VanDerWaalsContact C-N 3.31Å; R329-Q331 PolarHBondContact O-N 3.34Å; Q331-M333 PolarHBondContact O-N 2.68Å; Q331-K334 PolarHBondContact O-N 3.02Å; Q331-K334 VanDerWaalsContact O-N 3.15Å
332F82.2Confident75.9Confident9 Ų969.3 Ų69.34%0.03935%0.35CS..Hα-helixtrans-63-41.2179.8-178.1-108.7000112.5P255 D256 M327 S328 R329 K334 T335 E337 L341P255-F332 HydrophobicContact CB-CD1 4.34Å; P255-F332 HydrophobicContact CB-CD2 4.11Å; P255-F332 HydrophobicContact CB-CE1 3.96Å; P255-F332 HydrophobicContact CB-CE2 3.7Å; P255-F332 HydrophobicContact CB-CG 4.43Å; P255-F332 HydrophobicContact CB-CZ 3.62Å; P255-F332 HydrophobicContact CG-CD1 4.14Å; P255-F332 HydrophobicContact CG-CE1 3.63Å; P255-F332 HydrophobicContact CG-CE2 4.3Å; P255-F332 HydrophobicContact CG-CZ 3.73Å; D256-F332 HydrophobicContact CB-CB 4.18Å; D256-F332 HydrophobicContact CB-CG 4.49Å; M327-F332 HydrophobicContact CG-CB 3.84Å; M327-F332 VanDerWaalsContact SD-CA 3.58Å; M327-F332 HydrophobicContact SD-CB 4.06Å; M327-F332 HydrophobicContact SD-CD2 4.48Å; M327-F332 PolarHBondContact SD-N 3.19Å; S328-F332 PolarHBondContact O-N 3.05Å; R329-F332 PolarHBondContact O-N 3.15Å; F332-K334 PolarHBondContact O-N 2.91Å; F332-T335 PolarHBondContact O-N 3.17Å; F332-T335 PolarHBondContact O-OG1 2.75Å; F332-E337 HydrophobicContact CE2-CB 3.88Å; F332-E337 HydrophobicContact CZ-CB 3.98Å; F332-L341 HydrophobicContact CE1-CD1 4.29Å
333M80Confident75Confident44 Ų4469.7 Ų69.722%0.21736%0.364CS..THydrogen-bonded Turntrans-69.716.3175.4-62-67.5163.600114.5R329 Q331 L341 L342R329-M333 HydrophobicContact CG-CE 4.39Å; R329-M333 HydrophobicContact CG-CG 4.42Å; R329-M333 WeakPolarHBondContact O-CB 3.4Å; R329-M333 WeakPolarHBondContact O-CG 3.39Å; R329-M333 PolarHBondContact O-N 3.46Å; Q331-M333 PolarHBondContact O-N 2.68Å; M333-L341 HydrophobicContact CE-CD2 4.33Å; M333-L342 HydrophobicContact SD-CD1 3.96Å; M333-L342 HydrophobicContact SD-CD2 4.14Å; M333-L342 HydrophobicContact SD-CG 3.89Å
334K76.6Confident74.3Confident155 Ų15564 Ų6467%0.67435%0.345SS*.THydrogen-bonded Turntrans-125.95.5171.4-58.2178.2-177.31770112.4V330 Q331 F332V330-K334 WeakPolarHBondContact O-CD 3.2Å; V330-K334 VanDerWaalsContact O-CE 3.26Å; V330-K334 WeakPolarHBondContact O-CE 3.12Å; Q331-K334 PolarHBondContact O-N 3.02Å; Q331-K334 VanDerWaalsContact O-N 3.15Å; F332-K334 PolarHBondContact O-N 2.91Å
335T79.2Confident73.5Confident28 Ų2864.4 Ų64.417%0.17234%0.34CS..SBendtrans-91.5156.4167.571.20000109M327 F332 E337 G338 E339M327-T335 HydrophobicContact CE-CG2 4.27Å; M327-T335 HydrophobicContact SD-CG2 4.11Å; F332-T335 PolarHBondContact O-N 3.17Å; F332-T335 PolarHBondContact O-OG1 2.75Å; T335-E337 PolarHBondContact O-N 3.42Å; T335-G338 PolarHBondContact O-N 2.71Å; T335-G338 PolarHBondContact OG1-N 2.89Å; T335-E339 PolarHBondContact O-N 3.35Å
336P69.4Low72.1Confident105 Ų10566.4 Ų66.468%0.68235%0.354SS*.Hα-helixtrans-56.5-31173.3-26.235.9000113.1E339 A340P336-E339 PolarHBondContact O-N 3.44Å; P336-A340 VanDerWaalsContact O-CB 3.24Å; P336-A340 WeakPolarHBondContact O-CB 3.3Å; P336-A340 PolarHBondContact O-N 3.38Å
337E68.5Low69.8Low126 Ų12669.7 Ų69.759%0.58938%0.384SS*.Hα-helixtrans-64.3-42.3174-61.3153-16300111.9F332 T335 L341F332-E337 HydrophobicContact CE2-CB 3.88Å; F332-E337 HydrophobicContact CZ-CB 3.98Å; T335-E337 PolarHBondContact O-N 3.42Å; E337-L341 VanDerWaalsContact O-CB 3.3Å; E337-L341 WeakPolarHBondContact O-CB 3.36Å; E337-L341 PolarHBondContact O-N 2.9Å
338G72.3Confident67.5Low0 Ų067.8 Ų67.80%038%0.375CS..Hα-helixtrans-67.4-39.7175.900000112.8T335 L341 L342T335-G338 PolarHBondContact O-N 2.71Å; T335-G338 PolarHBondContact OG1-N 2.89Å; G338-L341 PolarHBondContact O-N 3.17Å; G338-L342 WeakPolarHBondContact O-CG 3.4Å; G338-L342 PolarHBondContact O-N 3.23Å
339E69.5Low65Low117 Ų11772.2 Ų72.255%0.54740%0.403SS..Hα-helixtrans-67.2-43.3175-66.8-17816700111.5T335 P336 L341 L342 S343T335-E339 PolarHBondContact O-N 3.35Å; P336-E339 PolarHBondContact O-N 3.44Å; E339-L341 PolarHBondContact O-N 2.92Å; E339-L342 PolarHBondContact O-N 3.12Å; E339-S343 PolarHBondContact O-N 3.2Å; E339-S343 PolarHBondContact O-OG 3.45Å; E339-S343 VanDerWaalsContact O-OG 3.13Å
340A67Low62.7Low52 Ų5272.8 Ų72.843%0.4341%0.413SS..Hα-helixtrans-63.1-39.3173.700000112.6P336 S343 S344P336-A340 VanDerWaalsContact O-CB 3.24Å; P336-A340 WeakPolarHBondContact O-CB 3.3Å; P336-A340 PolarHBondContact O-N 3.38Å; A340-S343 PolarHBondContact O-N 2.86Å; A340-S344 WeakPolarHBondContact O-CB 3.23Å; A340-S344 PolarHBondContact O-N 2.84Å
341L66.5Low60.6Low8 Ų872.1 Ų72.14%0.04241%0.413CS..Hα-helixtrans-61.8-44.7174.1-173.8150.3000111M200 M203 F332 M333 E337 G338 E339 S344 M345M200-L341 HydrophobicContact CE-CB 3.82Å; M200-L341 HydrophobicContact CE-CD1 4.28Å; M200-L341 HydrophobicContact CE-CG 4.05Å; M203-L341 HydrophobicContact CB-CD1 4.46Å; M203-L341 HydrophobicContact CG-CD1 4.32Å; F332-L341 HydrophobicContact CE1-CD1 4.29Å; M333-L341 HydrophobicContact CE-CD2 4.33Å; E337-L341 VanDerWaalsContact O-CB 3.3Å; E337-L341 WeakPolarHBondContact O-CB 3.36Å; E337-L341 PolarHBondContact O-N 2.9Å; G338-L341 PolarHBondContact O-N 3.17Å; E339-L341 PolarHBondContact O-N 2.92Å; L341-S344 PolarHBondContact O-N 3.33Å; L341-M345 HydrophobicContact CD2-CG 3.97Å; L341-M345 HydrophobicContact CD2-SD 4.15Å; L341-M345 HydrophobicContact CG-CG 4.49Å; L341-M345 VanDerWaalsContact O-CB 3.28Å; L341-M345 WeakPolarHBondContact O-CB 3.18Å; L341-M345 WeakPolarHBondContact O-CG 3.26Å; L341-M345 PolarHBondContact O-N 2.8Å
342L65.6Low58.4Low51 Ų5176.1 Ų76.127%0.26743%0.432SS..Hα-helixtrans-59.6-47174.1-72169.6000111.2M333 G338 E339 S344 M345 H346M333-L342 HydrophobicContact SD-CD1 3.96Å; M333-L342 HydrophobicContact SD-CD2 4.14Å; M333-L342 HydrophobicContact SD-CG 3.89Å; G338-L342 WeakPolarHBondContact O-CG 3.4Å; G338-L342 PolarHBondContact O-N 3.23Å; E339-L342 PolarHBondContact O-N 3.12Å; L342-S344 PolarHBondContact O-N 2.74Å; L342-M345 PolarHBondContact O-N 3.49Å; L342-H346 PolarHBondContact O-CD2 3.1Å; L342-H346 PolarHBondContact O-N 3.16Å
343S58Low56.2Low85 Ų8579.1 Ų79.159%0.59445%0.454SS*.Hα-helixtrans-59.2-47.5178.4-61.40000112.8E339 A340 H346 A347E339-S343 PolarHBondContact O-N 3.2Å; E339-S343 PolarHBondContact O-OG 3.45Å; E339-S343 VanDerWaalsContact O-OG 3.13Å; A340-S343 PolarHBondContact O-N 2.86Å; S343-H346 PolarHBondContact O-N 2.96Å; S343-A347 PolarHBondContact O-N 3.41Å
344S52.9Low54Low59 Ų5979.6 Ų79.641%0.41346%0.456SS..Hα-helixtrans-60.4-44.6174.8172.80000111.6A340 L341 L342 H346 A347A340-S344 WeakPolarHBondContact O-CB 3.23Å; A340-S344 PolarHBondContact O-N 2.84Å; L341-S344 PolarHBondContact O-N 3.33Å; L342-S344 PolarHBondContact O-N 2.74Å; S344-H346 VanDerWaalsContact C-N 3.3Å; S344-H346 PolarHBondContact O-N 3.23Å; S344-A347 WeakPolarHBondContact O-CB 3.43Å; S344-A347 PolarHBondContact O-N 2.91Å
345M54.6Low52.1Low30 Ų3075.4 Ų75.415%0.14845%0.45CS..Hα-helixtrans-66.9-26.6179.2-76.3-135.471.400114.4K207 L341 L342 A347 L348 M358K207-M345 HydrophobicContact CD-CE 3.65Å; K207-M345 HydrophobicContact CD-SD 3.72Å; K207-M345 PolarHBondContact NZ-SD 3.47Å; L341-M345 HydrophobicContact CD2-CG 3.97Å; L341-M345 HydrophobicContact CD2-SD 4.15Å; L341-M345 HydrophobicContact CG-CG 4.49Å; L341-M345 VanDerWaalsContact O-CB 3.28Å; L341-M345 WeakPolarHBondContact O-CB 3.18Å; L341-M345 WeakPolarHBondContact O-CG 3.26Å; L341-M345 PolarHBondContact O-N 2.8Å; L342-M345 PolarHBondContact O-N 3.49Å; M345-A347 VanDerWaalsContact C-N 3.34Å; M345-L348 HydrophobicContact CE-CD1 4.38Å; M345-M358 HydrophobicContact CE-CE 3.93Å; M345-M358 HydrophobicContact SD-CE 4.29Å
346H51.4Low50.2Low144 Ų14477.4 Ų77.467%0.66747%0.466SS*.Hα-helixtrans-80.5-11.5175.6-77.4-60.5000113.9L342 S343 S344L342-H346 PolarHBondContact O-CD2 3.1Å; L342-H346 PolarHBondContact O-N 3.16Å; S343-H346 PolarHBondContact O-N 2.96Å; S344-H346 VanDerWaalsContact C-N 3.3Å; S344-H346 PolarHBondContact O-N 3.23Å
347A39.2Very low48.8Very low80 Ų8075.5 Ų75.566%0.66145%0.45SS*.SBendtrans-79.4-18.5177.400000113.9S343 S344 M345S343-A347 PolarHBondContact O-N 3.41Å; S344-A347 WeakPolarHBondContact O-CB 3.43Å; S344-A347 PolarHBondContact O-N 2.91Å; M345-A347 VanDerWaalsContact C-N 3.34Å
348L36.9Very low47.3Very low37 Ų3772.6 Ų72.619%0.19444%0.437CS..SBendtrans-66.5122.7-177.2-72.8169.7000111.9E164 P166 M345 T350E164-L348 VanDerWaalsContact O-CD2 3.25Å; E164-L348 WeakPolarHBondContact O-CD2 3.49Å; P166-L348 HydrophobicContact CG-CD2 4.39Å; M345-L348 HydrophobicContact CE-CD1 4.38Å; L348-T350 PolarHBondContact O-N 3.47Å; L348-T350 PolarHBondContact O-OG1 2.91Å
349P31.7Very low45.7Very low126 Ų12678.1 Ų78.182%0.81847%0.467SS*.  trans-70.992.3-17528.9-35.2000111.1
350T34.7Very low44.5Very low76 Ų7680.9 Ų80.947%0.46647%0.472SS..  trans-123.3136.5-169.6-35.60000111.8L348 M354L348-T350 PolarHBondContact O-N 3.47Å; L348-T350 PolarHBondContact O-OG1 2.91Å; T350-M354 HydrophobicContact CG2-CB 3.54Å; T350-M354 HydrophobicContact CG2-CG 3.93Å; T350-M354 HydrophobicContact CG2-SD 3.48Å; T350-M354 WeakPolarHBondContact CG2-SD 3.45Å
351S33.2Very low43.1Very low89 Ų8982 Ų8262%0.62247%0.469SS*.  trans-51.5142.5174.7173.50000112S353 M354S351-S353 PolarHBondContact O-N 3.05Å; S351-M354 PolarHBondContact O-N 2.83Å
352Q36.7Very low41.8Very low178 Ų17886.6 Ų86.683%0.83249%0.493SS*.Hα-helixtrans-50.2-26.5-178.6-73.1-177-24.700113.8M354 S356Q352-M354 PolarHBondContact O-N 3.26Å; Q352-S356 PolarHBondContact O-N 2.81Å
353S36.3Very low40.6Very low72 Ų7289 Ų8950%0.50351%0.514SS..Hα-helixtrans-52.6-52.4171.8-164.90000112.6S351 A355 S356 D357S351-S353 PolarHBondContact O-N 3.05Å; S353-A355 PolarHBondContact O-N 2.71Å; S353-S356 WeakPolarHBondContact O-CB 3.26Å; S353-S356 PolarHBondContact O-N 2.88Å; S353-S356 VanDerWaalsContact O-N 3.15Å; S353-S356 PolarHBondContact O-OG 2.99Å; S353-D357 PolarHBondContact O-N 3.04Å
354M34.6Very low39.8Very low54 Ų5491.7 Ų91.727%0.26651%0.511SS..Hα-helixtrans-74.3-27.6-174.1-72-169.4162.700113.5A211 N215 T350 S351 Q352 S356 D357 M358A211-M354 HydrophobicContact CB-CE 4.5Å; N215-M354 WeakPolarHBondContact ND2-CE 3.48Å; T350-M354 HydrophobicContact CG2-CB 3.54Å; T350-M354 HydrophobicContact CG2-CG 3.93Å; T350-M354 HydrophobicContact CG2-SD 3.48Å; T350-M354 WeakPolarHBondContact CG2-SD 3.45Å; S351-M354 PolarHBondContact O-N 2.83Å; Q352-M354 PolarHBondContact O-N 3.26Å; M354-S356 VanDerWaalsContact C-N 3.26Å; M354-S356 PolarHBondContact O-N 3.22Å; M354-D357 PolarHBondContact O-N 3.46Å; M354-M358 WeakPolarHBondContact O-CB 3.47Å; M354-M358 VanDerWaalsContact O-CG 3.27Å; M354-M358 WeakPolarHBondContact O-CG 3.4Å; M354-M358 PolarHBondContact O-N 3.45Å
355A36.2Very low38.7Very low66 Ų6698.1 Ų98.155%0.54553%0.532SS..Hα-helixtrans-59.7-41.1169.700000110.7S353 M358 D359S353-A355 PolarHBondContact O-N 2.71Å; A355-M358 PolarHBondContact O-N 2.79Å; A355-D359 PolarHBondContact O-N 3.36Å
356S38.6Very low37.9Very low71 Ų7199.7 Ų99.750%0.49755%0.546SS..Hα-helixtrans-68.5-34.817881.10000113.5Q352 S353 M354 R360Q352-S356 PolarHBondContact O-N 2.81Å; S353-S356 WeakPolarHBondContact O-CB 3.26Å; S353-S356 PolarHBondContact O-N 2.88Å; S353-S356 VanDerWaalsContact O-N 3.15Å; S353-S356 PolarHBondContact O-OG 2.99Å; M354-S356 VanDerWaalsContact C-N 3.26Å; M354-S356 PolarHBondContact O-N 3.22Å; S356-R360 VanDerWaalsContact O-CB 3.23Å; S356-R360 WeakPolarHBondContact O-CB 3.48Å; S356-R360 PolarHBondContact O-N 3.2Å
357D40.6Very low37.3Very low64 Ų64100.1 Ų100.134%0.34255%0.546SS..Hα-helixtrans-78.3-29.7175.8-83-46.3000113.5S353 M354 R360 M361S353-D357 PolarHBondContact O-N 3.04Å; M354-D357 PolarHBondContact O-N 3.46Å; D357-R360 CarbonylContact O-C 3.12Å; D357-R360 PolarHBondContact O-N 2.78Å; D357-R360 IonicContact OD1-NH1 3.33Å; D357-M361 WeakPolarHBondContact O-CB 3.22Å; D357-M361 WeakPolarHBondContact O-CG 3.48Å; D357-M361 PolarHBondContact O-N 2.98Å
358M37.2Very low37.1Very low65 Ų65101.2 Ų101.232%0.3253%0.533SS..Hα-helixtrans-61.9-49.2171.2-79.7-85.3-82.100111.4M345 M354 A355 R360 M361 L362M345-M358 HydrophobicContact CE-CE 3.93Å; M345-M358 HydrophobicContact SD-CE 4.29Å; M354-M358 WeakPolarHBondContact O-CB 3.47Å; M354-M358 VanDerWaalsContact O-CG 3.27Å; M354-M358 WeakPolarHBondContact O-CG 3.4Å; M354-M358 PolarHBondContact O-N 3.45Å; A355-M358 PolarHBondContact O-N 2.79Å; M358-R360 VanDerWaalsContact C-N 3.26Å; M358-R360 PolarHBondContact O-N 3.01Å; M358-M361 PolarHBondContact O-N 2.69Å; M358-L362 PolarHBondContact O-N 3.39Å
359D38.1Very low36.8Very low117 Ų117105.8 Ų105.863%0.62655%0.551SS**Hα-helixtrans-60-40.3176-151.620.3000110.8A355 M361 L362 S363A355-D359 PolarHBondContact O-N 3.36Å; D359-M361 VanDerWaalsContact C-N 3.29Å; D359-M361 PolarHBondContact O-N 3.15Å; D359-L362 PolarHBondContact O-N 3.28Å; D359-S363 PolarHBondContact O-N 2.64Å
360R43.6Very low36.7Very low174 Ų174106 Ų10666%0.65754%0.541SS*.Hα-helixtrans-71.6-15.4175.1-160.5-179-165.6-172.28114.4S356 D357 M358 R364S356-R360 VanDerWaalsContact O-CB 3.23Å; S356-R360 WeakPolarHBondContact O-CB 3.48Å; S356-R360 PolarHBondContact O-N 3.2Å; D357-R360 CarbonylContact O-C 3.12Å; D357-R360 PolarHBondContact O-N 2.78Å; D357-R360 IonicContact OD1-NH1 3.33Å; M358-R360 VanDerWaalsContact C-N 3.26Å; M358-R360 PolarHBondContact O-N 3.01Å; R360-R364 WeakPolarHBondContact O-CG 3.34Å
361M38.5Very low36.6Very low75 Ų75106.5 Ų106.537%0.36955%0.548SS..Hα-helixtrans-89.6-41.1170.9-81.3-178.665.600111.6D357 M358 D359 S363 R364D357-M361 WeakPolarHBondContact O-CB 3.22Å; D357-M361 WeakPolarHBondContact O-CG 3.48Å; D357-M361 PolarHBondContact O-N 2.98Å; M358-M361 PolarHBondContact O-N 2.69Å; D359-M361 VanDerWaalsContact C-N 3.29Å; D359-M361 PolarHBondContact O-N 3.15Å; M361-S363 PolarHBondContact O-N 2.7Å; M361-R364 WeakPolarHBondContact O-CB 3.44Å; M361-R364 PolarHBondContact O-N 3.09Å
362L39.4Very low36.5Very low105 Ų105106.9 Ų106.955%0.5555%0.546SS..Hα-helixtrans-59.2-32.4171.6-68172.7000111.9M358 D359 R364M358-L362 PolarHBondContact O-N 3.39Å; D359-L362 PolarHBondContact O-N 3.28Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 3.36Å
363S41.1Very low36.1Very low101 Ų101105.4 Ų105.471%0.70654%0.54SS*.THydrogen-bonded Turntrans-73.9-6.2173.5-123.10000115.5D359 M361 K365D359-S363 PolarHBondContact O-N 2.64Å; M361-S363 PolarHBondContact O-N 2.7Å; S363-K365 PolarHBondContact O-N 3.08Å
364R39.4Very low35.9Very low142 Ų142108.5 Ų108.554%0.53655%0.55SS.*  trans-78.285.5-178.8-65.8-179.6-171.7-177.35.8112R360 M361 L362 S366R360-R364 WeakPolarHBondContact O-CG 3.34Å; M361-R364 WeakPolarHBondContact O-CB 3.44Å; M361-R364 PolarHBondContact O-N 3.09Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 3.36Å; R364-S366 PolarHBondContact O-N 3.17Å
365K31.2Very low35.6Very low195 Ų195112.6 Ų112.685%0.84857%0.573SS**  trans-52.7136.1156.8-68.5-176178.7179.90109.4S363 K367S363-K365 PolarHBondContact O-N 3.08Å; K365-K367 PolarHBondContact O-N 3.32Å; K365-K367 VanDerWaalsContact O-N 3.15Å
366S38.3Very low35.2Very low62 Ų62115.3 Ų115.343%0.43457%0.574SS.*  trans-52.4119.2-172.2-176.80000112.2R364 R368R364-S366 PolarHBondContact O-N 3.17Å; S366-R368 PolarHBondContact O-N 3.26Å
367K37.4Very low34.7Very low154 Ų154119.5 Ų119.567%0.6759%0.591SS**G310 helixtrans-69.1-5-171.3-80.5-170.5171.1-173.80114.9K365 F369 Q370K365-K367 PolarHBondContact O-N 3.32Å; K365-K367 VanDerWaalsContact O-N 3.15Å; K367-F369 PolarHBondContact O-N 3.39Å; K367-Q370 PolarHBondContact O-N 3.1Å; K367-Q370 VanDerWaalsContact O-N 3.08Å
368R35.2Very low34.2Very low103 Ų103121.7 Ų121.739%0.38961%0.611SS.*G310 helixtrans-58.8-20.8-179.5-143.6171-165.3175.62.5113.5S366 F1458 T1463S366-R368 PolarHBondContact O-N 3.26Å; R368-F1458 PolarHBondContact NH1-O 3.42Å; R368-F1458 VanDerWaalsContact NH1-O 3.13Å; R368-T1463 PolarHBondContact NH1-OG1 3.48Å; R368-T1463 VanDerWaalsContact NH2-CB 3.34Å; R368-T1463 PolarHBondContact NH2-OG1 3.1Å
369F30.6Very low33.8Very low133 Ų133122.3 Ų122.358%0.58363%0.634SS**G310 helixtrans-92.9-4.6177.3-80.9-73000116.5K367 R1455K367-F369 PolarHBondContact O-N 3.39Å; F369-R1455 VanDerWaalsContact CE1-NH1 3.26Å; F369-R1455 VanDerWaalsContact CZ-NH1 3.31Å
370Q30.7Very low33.3Very low130 Ų130124.5 Ų124.561%0.60765%0.645SS**THydrogen-bonded Turntrans-106.8-5.1177.6-78.2-173.4-30.600114.5K367 N374K367-Q370 PolarHBondContact O-N 3.1Å; K367-Q370 VanDerWaalsContact O-N 3.08Å; Q370-N374 PolarHBondContact O-ND2 2.87Å
371S31.9Very low32.7Very low87 Ų87122.1 Ų122.161%0.60866%0.655SS**SBendtrans-90.42.3179.2-162.80000114.4
372V31.2Very low32.2Very low96 Ų96127.6 Ų127.658%0.58268%0.677SS**SBendtrans-98.7-41-179.8-175.40000111.4N374 L375V372-N374 VanDerWaalsContact C-N 3.27Å; V372-N374 PolarHBondContact O-N 2.9Å; V372-L375 PolarHBondContact O-N 3.36Å
373E29Very low31.7Very low148 Ų148127.8 Ų127.869%0.69269%0.687SS**G310 helixtrans-68-24.6-179.5-64.6178.8128.500113.3L375E373-L375 VanDerWaalsContact C-N 3.27Å; E373-L375 PolarHBondContact O-N 3.07Å
374N30.9Very low31.1Very low136 Ų136128.6 Ų128.673%0.72769%0.687SS**G310 helixtrans-81.14-179-74.1-67.6000114.8Q370 V372Q370-N374 PolarHBondContact O-ND2 2.87Å; V372-N374 VanDerWaalsContact C-N 3.27Å; V372-N374 PolarHBondContact O-N 2.9Å
375L28.8Very low30.7Very low141 Ų141127.6 Ų127.674%0.73870%0.697SS**G310 helixtrans-102.4-4.8173.5-81.6162.8000113.7V372 E373 N377V372-L375 PolarHBondContact O-N 3.36Å; E373-L375 VanDerWaalsContact C-N 3.27Å; E373-L375 PolarHBondContact O-N 3.07Å; L375-N377 VanDerWaalsContact C-N 3.35Å
376Q28.5Very low30.5Very low123 Ų123125.1 Ų125.158%0.57569%0.693SS**SBendtrans-83.4-6.5-177.8-139.578.7400114
377N27.8Very low29.9Very low158 Ų158126.8 Ų126.885%0.84570%0.701SS**SBendtrans-127.451.5-166-107.1-24.8000114.5L375L375-N377 VanDerWaalsContact C-N 3.35Å
378S28.8Very low29.3Very low111 Ų111126 Ų12678%0.77670%0.704SS**  trans-146.1110.6156.655.80000111.9
379G29.5Very low28.9Very low78 Ų78130.7 Ų130.780%0.80473%0.728SS**  trans-80.4123.9-178.500000113.2
380L28.2Very low28.6Very low163 Ų163132.6 Ų132.685%0.85374%0.738SS**  trans32.9103.6138.3-69.9161.4000118.6
381S30.2Very low29Very low123 Ų123130.4 Ų130.486%0.8674%0.735SS**  -146.4151.5125.2630000110.5
382K28.1Very low28.7Very low190 Ų190133.9 Ų133.983%0.82674%0.741SS**  trans-136.1128.4-177.8-69-179179.8178.20111.2
383S28.7Very low28.5Very low110 Ų110134.4 Ų134.477%0.76975%0.745SS**  trans-165.1120144.4-159.10000106.3
384V27.8Very low28.3Very low117 Ų117135.6 Ų135.671%0.70975%0.748SS**  61111.157.4-170.70000108.5
385T31.4Very low28Very low121 Ų121136.3 Ų136.374%0.74275%0.747SS**  -150.1148.852.646.90000116.7
386N26.7Very low28Very low143 Ų143134.9 Ų134.977%0.76574%0.744SS**  trans25.4153.8130-68.817.4000123.5
387T26.6Very low27.7Very low98 Ų98137.2 Ų137.260%0.60176%0.755SS**  cis-175.1150.4-14.928.90000109.8
388N24.7Very low27.6Very low136 Ų136137.2 Ų137.273%0.72775%0.749SS**  trans60.2141.9154.7-50.7-12.6000117.4
389F26.4Very low27.5Very low202 Ų202140.7 Ų140.789%0.88675%0.751SS**  cis-150.5-170.245.2-118-85.3000113.2
390H25.4Very low27.4Very low174 Ų174144.9 Ų144.981%0.80675%0.754SS**  trans-105.5-166.8-170.4-147.438.7000112.6
391P39.2Very low27.2Very low84 Ų84142.9 Ų142.955%0.54575%0.748SS.*  -111.6-174.8-120.440.6-24.1000114.4
392H25.8Very low27.1Very low159 Ų159144.4 Ų144.474%0.73675%0.746SS**  -179.3122124.9-107-76.9000116.9
393T25.5Very low27.2Very low108 Ų108139.1 Ų139.166%0.66374%0.738SS**  trans44.5131.9138.647.40000125.3
394K25.3Very low26.9Very low173 Ų173144.6 Ų144.675%0.75275%0.749SS**  115.5119.4121.4-92.4172.6170.5-168.20122
395Q25.2Very low26.9Very low151 Ų151146.7 Ų146.771%0.70676%0.755SS**  trans87.7140130.6-81.8173.2-74.700124.4
396T27.4Very low26.8Very low110 Ų110145 Ų14568%0.67575%0.754SS**  trans67.195.2151.542.30000121.9
397E23.5Very low27Very low173 Ų173148.5 Ų148.581%0.80876%0.762SS**  70.2145.1110.9-73.6-179179.200124.4
398H25.9Very low27Very low157 Ų157152.6 Ų152.673%0.72777%0.774SS**  trans76.7122.9155-97.8-67.9000122
399K25.8Very low27.1Very low184 Ų184149.3 Ų149.380%0.877%0.772SS**  trans66.8103.7156.2-57.9178.7-175.9176.50117.6
400L26.7Very low27.3Very low167 Ų167149 Ų14987%0.87477%0.771SS**  trans-134.7117.4133.6-161.472.4000110.6
401V25.2Very low27.6Very low120 Ų120148.5 Ų148.573%0.72777%0.768SS**  trans-98.4135.7165.8167.90000107.2
402N28.6Very low26.9Very low155 Ų155150.6 Ų150.683%0.82978%0.775SS**  trans36.896.4163.6-59.7-10.5000118.5
403A28.5Very low27.1Very low79 Ų79150.6 Ų150.665%0.65378%0.775SS**  trans-165.3100.2131.400000112
404F23.7Very low27.1Very low226 Ų226151.8 Ų151.899%0.99178%0.778SS**  trans-123.462.1148.6-134.4-81.4000108.7
405L26.8Very low27.2Very low161 Ų161152 Ų15284%0.84379%0.786SS**  trans-130.9149.3176.5-100.6172.6000109.1
406A30.4Very low27.2Very low86 Ų86149.7 Ų149.771%0.71179%0.787SS**  trans57.4107173.100000117.3
407K30.3Very low27.3Very low215 Ų215154.6 Ų154.694%0.93579%0.793SS**  trans-126.964.9139.3-149.2-177.6-169.1-177.50110.8
408E26.6Very low27.6Very low184 Ų184152.1 Ų152.186%0.8679%0.785SS**  trans-64.4160.6152-61.9-170.2141.600108.9
409G27.6Very low27.9Very low67 Ų67150.3 Ų150.369%0.69178%0.781SS**  cis168.3-174.7-1.200000108.7
410K30Very low28.1Very low197 Ų197149 Ų14986%0.85778%0.775SS**  trans-167.4112.7161.9-113.7168.3-174.5-177.10112.5
411H31.5Very low28.2Very low163 Ų163152 Ų15276%0.75578%0.775SS**  trans34139130.5-66.3-51000120.8
412N24.6Very low28.3Very low128 Ų128155.4 Ų155.468%0.68478%0.78SS**  cis-166.5-175.6-0.8-135.232.6000112.7
413E29.3Very low28.9Very low159 Ų159152.1 Ų152.174%0.74377%0.767SS**  trans92.495.7159.1-49.1-144128.600119.6
414N25.1Very low28.8Very low133 Ų133156.4 Ų156.471%0.71177%0.773SS**  40.1129.4118.3-46.9-37.2000118.5
415L28.9Very low28.8Very low178 Ų178154.4 Ų154.493%0.93277%0.769SS**  -156.7-179.652.5-113.6115.3000113.6
416S25.4Very low28.9Very low102 Ų102155.3 Ų155.371%0.71378%0.775SS**  trans-107.9142.9-170.6173.40000114
417R28.3Very low28.7Very low213 Ų213154.9 Ų154.980%0.80478%0.779SS**  -176.5149.8121.1-106-176.8134.7112.53.9118.1
418D30.2Very low28.4Very low120 Ų120155.2 Ų155.264%0.64278%0.776SS**  trans67.1120.1143-57.9-23.4000124.6
419D31.6Very low28.4Very low120 Ų120154 Ų15464%0.64277%0.774SS**  trans91113.9131.1-97.17.2000127.2
420K31.2Very low28.4Very low156 Ų156158 Ų15868%0.67878%0.779SS**  trans64.186.6131.2-69176.3-17481.10123
421R28Very low28.2Very low230 Ų230156.3 Ų156.387%0.86878%0.779SS**  54.6114.2113.2-64.2178.6-164.7-169.15.4121.8
422K27.9Very low27.8Very low191 Ų191156.9 Ų156.983%0.8379%0.787SS**  67.8158.6122.6-78-157.1169.3-160.60121.1
423P39.9Very low27.9Very low87 Ų87157 Ų15757%0.56579%0.792SS**  cis-145.9-164.5-35.142.3-23.8000114.8
424E26.7Very low27.8Very low168 Ų168158.6 Ų158.679%0.78580%0.797SS**  trans76.491.4147-78.1153.1-12600121.7
425M24.6Very low27.8Very low185 Ų185160.8 Ų160.891%0.91181%0.807SS**  -158.1108.2120.1-112.5-162.5-168.400111
426N28.3Very low27.6Very low179 Ų179160.9 Ų160.996%0.95780%0.803SS**  trans175.6119.5148-97-26.1000108.9
427G26.7Very low27.6Very low77 Ų77165.5 Ų165.579%0.79481%0.81SS**  trans-170.571-172.700000111
428Y24Very low27.6Very low223 Ų223162.9 Ų162.988%0.87581%0.812SS**  trans-139.8149.9171.7-132.8-101000107.4
429I27.4Very low27.3Very low159 Ų159168.2 Ų168.282%0.81582%0.823SS**SBendtrans70.672.2-162.3-43.3171.4000112.2
430D26.4Very low27Very low149 Ų149170.4 Ų170.480%0.79783%0.834SS**  -170.1108.4124.2-110.1-11.6000109.8
431N26.3Very low26.9Very low162 Ų162167.2 Ų167.287%0.86684%0.837SS**  trans-179.680.1166.6-102-37.2000110.3
432L24Very low27Very low175 Ų175160.9 Ų160.992%0.91683%0.828SS**  trans-14735.1167-115.7177.9000113.3
433T24.8Very low27Very low130 Ų130160 Ų16080%0.79883%0.832SS**SBendtrans-145.2137.2170-36.70000108.9
434K27.1Very low26.6Very low194 Ų194163.2 Ų163.284%0.84384%0.84SS**  trans82.376.3-172.4-54.3178.1175.9-179.60116.7
435I26.9Very low26.8Very low178 Ų178162.6 Ų162.691%0.91384%0.842SS**  trans-128.672.5142.4-54.3-177.4000108.5
436Q24.3Very low27.1Very low181 Ų181157.3 Ų157.385%0.84684%0.835SS**SBendtrans-159.1153.6160.3-112.9177.9-1600106.7
437F25.8Very low27.1Very low198 Ų198158.6 Ų158.687%0.86884%0.835SS**  trans59.2102.9-162.8-85.7-96.5000115.5
438N27.6Very low27.3Very low158 Ų158159 Ų15985%0.84583%0.831SS**  -173.3110.4116.3-95.8-11.9000111.8
439R23.9Very low27.6Very low233 Ų233154.1 Ų154.188%0.87982%0.824SS**  trans-155.4133.8157.3-171.3176.4-73.4-174.4-2.7106.1
440L25.8Very low27.8Very low165 Ų165154.9 Ų154.986%0.86482%0.824SS**  trans70.2135.9-159.8-44.9174.9000111.6
441A28.9Very low27.9Very low89 Ų89157.4 Ų157.474%0.73683%0.828SS**  cis-146160.5-0.600000113.3
442S29.5Very low27.7Very low97 Ų97157.2 Ų157.268%0.67883%0.826SS**  trans38.8117151.8-52.10000121.9
443N28.9Very low27.9Very low174 Ų174154.8 Ų154.893%0.9382%0.821SS**  trans-90.8144.7133.5-80.9-18.5000108.1
444E31.7Very low27.9Very low153 Ų153156.4 Ų156.472%0.71582%0.819SS**  trans-118.7157.9177.1-61.7-170.6148.100112.8
445N30.2Very low27.8Very low155 Ų155155.6 Ų155.683%0.82982%0.816SS**  trans67.2133.6164.9-47.7-56.7000116.2
446G30.1Very low27.8Very low74 Ų74153.6 Ų153.676%0.76381%0.807SS**  cis-161175.2-8.100000107.2
447E28.5Very low27.9Very low206 Ų206151.8 Ų151.896%0.96380%0.799SS**  cis-142.6-173.422.7-63.5178.6100.100111.7
448A30.8Very low28.4Very low87 Ų87148 Ų14872%0.71979%0.794SS**  trans-89.7169.1-170.400000114.8
449T31.5Very low28.3Very low119 Ų119148.6 Ų148.673%0.7380%0.796SS**  -174.3141.480.929.90000114.4
450H30Very low28.5Very low175 Ų175142.8 Ų142.881%0.8179%0.787SS**  trans41.5130151.4-60.3-67.8000120.8
451K29.6Very low28.6Very low203 Ų203143 Ų14388%0.88379%0.789SS**  cis-151.3163.641.3-75.4-174.4175.5-1790114.9
452L21.5Very low28.5Very low157 Ų157142 Ų14282%0.82279%0.787SS**  trans-95.8173.3174.6-97.5164.6000111.1
453P29.5Very low28.2Very low125 Ų125146.3 Ų146.381%0.81280%0.796SS**  cis-147.6-162.949.344-21.6000117.9
454H23.3Very low28Very low164 Ų164143.6 Ų143.676%0.75979%0.786SS**  trans-123.9-168.1-171.7-147.7-16.1000110.9
455F24.9Very low27.8Very low176 Ų176144 Ų14477%0.77279%0.793SS**  trans70.3147.6-176.3-60.4-88.2000115.2
456D26.7Very low27.5Very low136 Ų136141 Ų14173%0.72778%0.784SS**  cis-150.3-174.99.1-131.4-31.7000115.6
457E26.6Very low27.4Very low144 Ų144142.9 Ų142.967%0.67378%0.783SS**  trans-45.1160.9-169.4-69.4-172.813500122.1
458P37.2Very low27.3Very low117 Ų117141.6 Ų141.676%0.7677%0.771SS**  trans-101.9154171.439.3-33000115.1
459L26.2Very low27.2Very low172 Ų172148.7 Ų148.790%0.90178%0.78SS**  trans-158.2171.3158.3-115.2171.4000113.5
460T26.3Very low27Very low111 Ų111147.8 Ų147.868%0.68177%0.771SS**  trans-97.1143.2-156.452.10000117
461N28.6Very low26.6Very low170 Ų170148.1 Ų148.191%0.90978%0.779SS**  trans171.1143138.8-87-28.7000109.5
462G25.9Very low26.4Very low67 Ų67141.8 Ų141.869%0.69176%0.76SS**  cis167.7151.6-9.600000112.8
463Q24.3Very low26.5Very low187 Ų187140.9 Ų140.987%0.87476%0.761SS**  trans71.3133.9163.9-82.8-179.3-93.700122.7
464V23.6Very low26.2Very low118 Ų118141.4 Ų141.472%0.71576%0.757SS**  trans61.4115.3152-176.10000115.6
465D27.7Very low26.3Very low160 Ų160140.1 Ų140.186%0.85676%0.76SS**  -151.8173.655-123.9-37.1000114.2
466S23.7Very low26.3Very low93 Ų93138.5 Ų138.565%0.6576%0.76SS**  trans-121149.2172-172.50000111.2
467P29.8Very low26.2Very low114 Ų114136.6 Ų136.674%0.7476%0.757SS**  -145.6136.9113.234.3-18.4000116.3
468Y25.1Very low26.1Very low178 Ų178138 Ų13870%0.69877%0.769SS**  trans33.2117.4136.6-64.1-88.7000120.4N470Y468-N470 VanDerWaalsContact CD1-OD1 3.29Å; Y468-N470 WeakPolarHBondContact CD1-OD1 3.3Å
469Y29.6Very low25.6Very low236 Ų236135.8 Ų135.893%0.92577%0.768SS**  -148109.7104-124-81000113
470N26Very low25.4Very low101 Ų101132.8 Ų132.854%0.5477%0.768SS.*  trans-45.1132.7-178.2-59.7-17.4000116.6Y468Y468-N470 VanDerWaalsContact CD1-OD1 3.29Å; Y468-N470 WeakPolarHBondContact CD1-OD1 3.3Å
471N22.9Very low25.3Very low181 Ų181135 Ų13597%0.96877%0.774SS**  -101.899.2125.7-87.5-28.3000106.8
472S24.2Very low25Very low70 Ų70135.2 Ų135.249%0.4977%0.767SS.*  trans-102125.1170.1-164.60000108.6D474S472-D474 WeakPolarHBondContact CB-OD2 3.39Å; S472-D474 PolarHBondContact OG-OD2 3.46Å
473V23.7Very low24.7Very low138 Ų138138.6 Ų138.684%0.83677%0.774SS**  trans-9981.7166.2-179.60000106.3V475V473-V475 PolarHBondContact O-N 3.45Å
474D23Very low24.6Very low137 Ų137137.3 Ų137.373%0.73376%0.762SS**  trans-73.6124.1172-77-73.9000109.4S472 D476S472-D474 WeakPolarHBondContact CB-OD2 3.39Å; S472-D474 PolarHBondContact OG-OD2 3.46Å; D474-D476 PolarHBondContact O-N 2.92Å
475V27.1Very low24.4Very low137 Ų137142.6 Ų142.683%0.8377%0.769SS**  trans-86.5101.9178.6176.20000108.4V473V473-V475 PolarHBondContact O-N 3.45Å
476D23.5Very low24.1Very low142 Ų142140.6 Ų140.676%0.75976%0.757SS**  trans-152137.3158.7-134.6-30.8000115.1D474D474-D476 PolarHBondContact O-N 2.92Å
477S26.3Very low24.1Very low96 Ų96140.2 Ų140.267%0.67175%0.752SS**SBendtrans29.7116.3150.7-60.60000121.4
478N24.5Very low24Very low172 Ų172143 Ų14392%0.9275%0.747SS**  trans6974.9156.7-64.7-29.3000118.8
479G24.9Very low24Very low71 Ų71137.7 Ų137.773%0.73274%0.736SS**  trans-129.685.5163.300000112.8I481G479-I481 PolarHBondContact O-N 3.48Å
480A22.8Very low23.9Very low109 Ų109131.4 Ų131.490%0.90171%0.714SS**  trans-77.682.7-173.100000113.9
481I24.3Very low24.2Very low159 Ų159127.3 Ų127.382%0.81570%0.696SS**  trans-85.2127.3164.3-60.3179.9000108.6G479 T483G479-I481 PolarHBondContact O-N 3.48Å; I481-T483 PolarHBondContact O-N 3.26Å; I481-T483 VanDerWaalsContact O-N 3.16Å
482K21.8Very low24.5Very low173 Ų173119.3 Ų119.375%0.75265%0.653SS**  trans-72.5106.2-171.5-65.7176.9-179.8177.30111.6Y484K482-Y484 PolarHBondContact O-N 3.48Å
483T21Very low24.9Very low138 Ų138116 Ų11685%0.84763%0.63SS**  trans-70.6120.5167.4-27.70000109.6I481 R485I481-T483 PolarHBondContact O-N 3.26Å; I481-T483 VanDerWaalsContact O-N 3.16Å; T483-R485 PolarHBondContact O-N 3.36Å
484Y21.3Very low25.2Very low160 Ų160109.6 Ų109.663%0.62759%0.59SS**  trans-77104.4174.9-70.3-78.8000110.1E11 K482 I486E11-Y484 WeakPolarHBondContact OE1-CD2 3.2Å; K482-Y484 PolarHBondContact O-N 3.48Å; Y484-I486 PolarHBondContact O-N 3.08Å
485R20.1Very low25.6Very low229 Ų229103.4 Ų103.486%0.86456%0.558SS**  trans-71.198172.3178.1-178.5-81.9165.6-7.9109.4T483 T487T483-R485 PolarHBondContact O-N 3.36Å; R485-T487 HydrophobicContact CG-CG2 4.19Å
486I21.1Very low25.7Very low118 Ų11899.2 Ų99.261%0.60553%0.527SS*.  trans-116.7115.5167-58.9178.8000107.5Y484Y484-I486 PolarHBondContact O-N 3.08Å
487T23.2Very low26.3Very low86 Ų8694.4 Ų94.453%0.52850%0.502SS..  trans-107117-176.646.80000110.9R485 E590R485-T487 HydrophobicContact CG-CG2 4.19Å; T487-E590 WeakPolarHBondContact CG2-OE1 3.16Å
488R27Very low26.6Very low172 Ų17295.1 Ų95.165%0.64949%0.494SS*.  trans-143.5115.6156.6-105.5-172.6178.5-167.91.2109.1
489S25.3Very low27Very low67 Ų6792.1 Ų92.147%0.46948%0.475SS..  trans-90.3122.1-173.546.70000112.3
490K28.7Very low27Very low103 Ų10395.6 Ų95.645%0.44848%0.476SS..  178.6168.2128.3-96.6173.7-145.9155.30110.1A69 D70A69-K490 VanDerWaalsContact O-CD 3.31Å; A69-K490 WeakPolarHBondContact O-CD 3.31Å; A69-K490 WeakPolarHBondContact O-CE 3.12Å; A69-K490 PolarHBondContact O-NZ 3.21Å; D70-K490 IonicContact OD1-NZ 2.72Å; D70-K490 PolarHBondContact OD1-NZ 3.35Å
491G30.8Very low27.2Very low16 Ų16100.3 Ų100.317%0.16547%0.47CS..  trans-69.5140.1-177.300000113.6N73 F586N73-G491 PolarHBondContact N-O 2.83Å; G491-F586 VanDerWaalsContact CA-O 3.3Å; G491-F586 WeakPolarHBondContact CA-O 3.49Å
492I30.8Very low27.3Very low13 Ų1398.6 Ų98.67%0.06747%0.468CS..  trans-92.5168.2153.1-63.7178.8000106.3N73 V75 F586N73-I492 HydrophobicContact CB-CG1 4.34Å; N73-I492 CarbonylContact O-C 3.54Å; N73-I492 WeakPolarHBondContact O-CA 3.38Å; V75-I492 HydrophobicContact CB-CG2 4Å; V75-I492 HydrophobicContact CG2-CG2 3.58Å; I492-F586 VanDerWaalsContact C-CD2 3.42Å; I492-F586 HydrophobicContact CB-CB 4.25Å; I492-F586 HydrophobicContact CB-CD2 3.8Å; I492-F586 HydrophobicContact CB-CE2 4.27Å; I492-F586 HydrophobicContact CB-CG 4.16Å; I492-F586 HydrophobicContact CG2-CD2 3.68Å; I492-F586 HydrophobicContact CG2-CE2 3.66Å; I492-F586 HydrophobicContact CG2-CG 4.45Å; I492-F586 HydrophobicContact CG2-CZ 4.47Å; I492-F586 CarbonylContact O-C 3.45Å; I492-F586 VanDerWaalsContact O-CA 3.23Å; I492-F586 WeakPolarHBondContact O-CA 3.38Å; I492-F586 WeakPolarHBondContact O-CB 3.42Å; I492-F586 WeakPolarHBondContact O-CD2 3.35Å; I492-F586 PolarHBondContact O-N 3.35Å
493S30.7Very low27.4Very low1 Ų1102.4 Ų102.41%0.00748%0.477CS..  trans-139.7127.7179.8-820000113N73 S74 V75 V584 H585N73-S493 WeakPolarHBondContact O-CB 3.18Å; N73-S493 PolarHBondContact O-N 3.24Å; S74-S493 CarbonylContact C-O 3.42Å; S74-S493 VanDerWaalsContact C-O 3.26Å; S74-S493 WeakPolarHBondContact CA-O 3.26Å; S74-S493 WeakPolarHBondContact CB-O 3.32Å; S74-S493 VanDerWaalsContact OG-CB 3.27Å; S74-S493 WeakPolarHBondContact OG-CB 3.43Å; S74-S493 PolarHBondContact OG-O 3.06Å; S74-S493 VanDerWaalsContact OG-O 3.09Å; V75-S493 PolarHBondContact N-O 2.8Å; S493-V584 CarbonylContact C-O 3.08Å; S493-V584 WeakPolarHBondContact CA-O 3.43Å; S493-V584 WeakPolarHBondContact CB-O 3.46Å; S493-V584 PolarHBondContact OG-O 2.69Å; S493-H585 PolarHBondContact OG-CD2 3.05Å; S493-H585 VanDerWaalsContact OG-CD2 3.3Å; S493-H585 PolarHBondContact OG-CE1 2.92Å; S493-H585 PolarHBondContact OG-ND1 3.45Å; S493-H585 PolarHBondContact OG-NE2 2.83Å
494L30.4Very low27.7Very low2 Ų2103.9 Ų103.91%0.0147%0.474CS..EExtended strand (participates in β ladder)trans-70.6155.9172.6-51.2155.6000110.4F6 I21 L25 V75 V584 F586F6-L494 HydrophobicContact CB-CD1 4.41Å; I21-L494 HydrophobicContact CG2-CD1 4.36Å; I21-L494 HydrophobicContact CG2-CD2 4.31Å; L25-L494 HydrophobicContact CD1-CD1 4.23Å; L25-L494 HydrophobicContact CD2-CD1 4.24Å; L25-L494 HydrophobicContact CG-CD1 4.45Å; V75-L494 HydrophobicContact CB-CD2 4.31Å; V75-L494 HydrophobicContact CG1-CD2 4.14Å; V75-L494 VanDerWaalsContact O-CA 3.25Å; V75-L494 WeakPolarHBondContact O-CA 3.3Å; V75-L494 WeakPolarHBondContact O-CD2 3.49Å; L494-V584 HydrophobicContact CB-CB 3.71Å; L494-V584 HydrophobicContact CB-CG1 3.45Å; L494-V584 VanDerWaalsContact CB-CG1 3.45Å; L494-V584 HydrophobicContact CD1-CG1 3.66Å; L494-V584 HydrophobicContact CG-CG1 3.89Å; L494-V584 PolarHBondContact N-O 2.86Å; L494-V584 WeakPolarHBondContact O-CA 3.44Å; L494-V584 VanDerWaalsContact O-CB 3.27Å; L494-V584 WeakPolarHBondContact O-CB 3.46Å; L494-V584 PolarHBondContact O-N 2.84Å; L494-F586 HydrophobicContact CB-CE2 4.36Å; L494-F586 HydrophobicContact CD1-CE2 4.47Å; L494-F586 HydrophobicContact CD1-CZ 4.39Å; L494-F586 HydrophobicContact CD2-CE1 4.46Å; L494-F586 HydrophobicContact CD2-CE2 3.5Å; L494-F586 VanDerWaalsContact CD2-CE2 3.5Å; L494-F586 HydrophobicContact CD2-CZ 3.34Å; L494-F586 HydrophobicContact CG-CD2 4.28Å; L494-F586 HydrophobicContact CG-CE2 3.44Å; L494-F586 VanDerWaalsContact CG-CE2 3.44Å; L494-F586 HydrophobicContact CG-CZ 3.66Å
495V31.5Very low27.9Very low7 Ų7103 Ų1034%0.04249%0.486CS..EExtended strand (participates in β ladder)trans-138.3150166179.80000107.1V76 L77 L580V76-V495 WeakPolarHBondContact CA-O 3.32Å; V76-V495 HydrophobicContact CB-CB 4.48Å; V76-V495 HydrophobicContact CG1-CB 4.1Å; V76-V495 HydrophobicContact CG1-CG1 4.41Å; V76-V495 VanDerWaalsContact CG1-O 3.3Å; V76-V495 WeakPolarHBondContact CG1-O 3.04Å; V76-V495 HydrophobicContact CG2-CB 4.1Å; L77-V495 PolarHBondContact N-O 2.96Å; L77-V495 VanDerWaalsContact N-O 3.16Å; V495-L580 HydrophobicContact CG1-CD2 3.67Å
496Y29.6Very low28.2Very low50 Ų5095.5 Ų95.520%0.19648%0.48CS..EExtended strand (participates in β ladder)trans-110.1143.7167.7177.9-105.7000109.9P27 P28 H29 E498P27-Y496 HydrophobicContact CB-CD2 4.46Å; P27-Y496 HydrophobicContact CB-CE2 3.94Å; P28-Y496 WeakPolarHBondContact CD-OH 3.33Å; P28-Y496 VanDerWaalsContact CG-OH 3.26Å; P28-Y496 WeakPolarHBondContact CG-OH 3.36Å; H29-Y496 PolarHBondContact CE1-OH 3.09Å; H29-Y496 AromaticContact ND1-CE2 3.99Å; Y496-E498 HydrophobicContact CE1-CB 3.9Å; Y496-E498 HydrophobicContact CE1-CG 4.26Å
497D35.8Very low28.3Very low41 Ų4194.3 Ų94.322%0.21949%0.487CS..  trans-138.1121.5-172.5179.124.3000109.7V76 R78V76-D497 HydrophobicContact CG1-CB 4.02Å; R78-D497 WeakPolarHBondContact CD-OD2 3.43Å; R78-D497 IonicContact CZ-OD2 2.83Å; R78-D497 IonicContact NE-OD2 3.2Å; R78-D497 IonicContact NH1-OD2 3.67Å; R78-D497 PolarHBondContact NH1-OD2 3.33Å
498E32.3Very low28.4Very low111 Ų11196 Ų9652%0.51950%0.501SS..  trans-106.847.7-172.9-154.9-176.8171.600112.6Y496 L500Y496-E498 HydrophobicContact CE1-CB 3.9Å; Y496-E498 HydrophobicContact CE1-CG 4.26Å; E498-L500 PolarHBondContact O-N 2.96Å
499E32.9Very low28.2Very low109 Ų10995.4 Ų95.451%0.50951%0.511SS..THydrogen-bonded Turntrans-6571.1166.1-74.4-158.712800112.4R78 R84R78-E499 IonicContact NH1-OE2 2.8Å; R78-E499 PolarHBondContact NH1-OE2 3.17Å; R84-E499 IonicContact CZ-OE2 2.69Å; R84-E499 IonicContact NH2-OE2 3.19Å; R84-E499 PolarHBondContact NH2-OE2 3.26Å
500L25.8Very low28.4Very low143 Ų14398 Ų9875%0.74952%0.524SS*.THydrogen-bonded Turntrans-176.928.3146.7-101.8160.7000116.6E498E498-L500 PolarHBondContact O-N 2.96Å
501R26Very low28.2Very low208 Ų20898.9 Ų98.979%0.78554%0.543SS*.  trans-137.7159.6168.5-112174-179.7177.3-0.4115.2
502T27Very low28Very low124 Ų124106 Ų10676%0.76158%0.576SS**  trans65.583.3-177.665.50000117
503R24.9Very low27.6Very low253 Ų253110.2 Ų110.296%0.95561%0.607SS**  trans-128.136.2144-139.6174.4-168.8170.35.3112.1
504E26.6Very low27.4Very low168 Ų168114.9 Ų114.979%0.78564%0.639SS**  trans-121.3164.7168-62.7-172131.300108.2
505T25.1Very low27.2Very low143 Ų143121 Ų12188%0.87768%0.677SS**  trans62.941.4-170.966.30000116.1A507T505-A507 PolarHBondContact O-N 3.38Å
506G25.9Very low26.9Very low71 Ų71128 Ų12873%0.73271%0.713SS**  trans-76.2102.2153.900000109.9C508G506-C508 PolarHBondContact O-N 2.87Å
507A24.1Very low27.1Very low92 Ų92130 Ų13076%0.7673%0.731SS**  trans-73.8119.8178.500000111.2T505 D509T505-A507 PolarHBondContact O-N 3.38Å; A507-D509 PolarHBondContact O-N 2.92Å
508C25.8Very low26.8Very low122 Ų122137.8 Ų137.882%0.82476%0.759SS**  trans-96.169177.2-65.90000111.1G506 T510G506-C508 PolarHBondContact O-N 2.87Å; C508-T510 PolarHBondContact O-N 3.43Å
509D22.6Very low26.6Very low159 Ų159139.8 Ų139.885%0.8577%0.769SS**  trans-70.994.8169.2-89.6-41.2000110.5A507A507-D509 PolarHBondContact O-N 2.92Å
510T29.9Very low26.5Very low122 Ų122139.9 Ų139.975%0.74877%0.773SS**  trans-127.298.9165-56.40000108.8C508 I512C508-T510 PolarHBondContact O-N 3.43Å; T510-I512 PolarHBondContact O-N 2.95Å
511S23.1Very low26.7Very low121 Ų121139.5 Ų139.585%0.84677%0.771SS**  trans-63117.7-177.456.50000112.9
512I27.2Very low27Very low165 Ų165135.1 Ų135.185%0.84676%0.763SS**  trans-130.1126.1155.7-61.1-176.3000108.4T510T510-I512 PolarHBondContact O-N 2.95Å
513S23.2Very low27.3Very low103 Ų103135 Ų13572%0.7276%0.763SS**  trans-102.8136.9179.8-176.30000111.7
514S24.7Very low27.5Very low99 Ų99128 Ų12869%0.69275%0.752SS**  trans71138149.374.50000121.4
515T27.1Very low27.8Very low129 Ų129128.4 Ų128.479%0.79175%0.753SS**  trans105.6100144.2-41.10000118.4
516I26.3Very low28.2Very low156 Ų156127.6 Ų127.680%0.874%0.744SS**  trans-80.5146.6163-65.9156.7000106.7
517P33.3Very low29Very low90 Ų90128 Ų12858%0.58473%0.733SS**  -165.5171.876.247.2-25.3000122.3
518Y28.2Very low29.3Very low205 Ų205132.2 Ų132.280%0.80474%0.735SS**  trans62.5152.1155.3-58.3-47.6000118.2
519E29.6Very low29.5Very low154 Ų154134.8 Ų134.872%0.7273%0.732SS**  cis-159.6162.4-6.5-122.3-173-94.900108
520N30.4Very low29.7Very low111 Ų111134.5 Ų134.559%0.59473%0.725SS**  cis-129.3-121.9-9.1-154.7-32.6000108.8
521D30.9Very low29.5Very low135 Ų135134.6 Ų134.672%0.72273%0.725SS**  cis-146.7152.7-4.4-149.3-22.1000111.8
522N31.3Very low29.7Very low115 Ų115136 Ų13662%0.61572%0.723SS**  trans-45.1161.6179.1-65.2-71.3000117.5
523T33.5Very low29.6Very low123 Ų123134.9 Ų134.976%0.75572%0.718SS**  cis-175.3170.72.219.20000107.2
524C29.6Very low29.7Very low106 Ų106136.2 Ų136.272%0.71672%0.722SS**  cis-164.4-176-21.8-134.60000105.2
525E33.3Very low30Very low175 Ų175139 Ų13982%0.81872%0.724SS**  cis-124.5166.9-0.8-64.1-175.991.900108.6
526D32.6Very low29.9Very low127 Ų127139.3 Ų139.368%0.67972%0.72SS**  cis82.9147.929.8-102.240.5000116.6
527P42.6Very low29.9Very low79 Ų79138 Ų13851%0.51372%0.715SS.*  cis-154.2-172.5-39.540-20.6000118.4
528K29.9Very low29.6Very low181 Ų181139.1 Ų139.179%0.78772%0.72SS**  trans78.7146.9156.8-68.2153.8-160.6166.90116.8
529K31Very low29.7Very low176 Ų176135 Ų13577%0.76572%0.716SS**  cis-139.8178.215.2-86.8-166.2170.7-119.20110.4
530E26.7Very low29.7Very low153 Ų153134.1 Ų134.172%0.71572%0.716SS**  cis-179.4165.4-30.2-169.6159-14100106.4
531V25.5Very low29.6Very low124 Ų124134.7 Ų134.775%0.75272%0.724SS**  trans-119.9143-165.1170.80000112.5
532D27.7Very low29.6Very low150 Ų150134.8 Ų134.880%0.80272%0.724SS**  trans-167.9177.3131.4-130.1-38.5000115.5
533L24.7Very low29.6Very low142 Ų142133 Ų13374%0.74372%0.721SS**  trans-117.4177.6-160.9-72.2146.6000116
534T25.1Very low29.4Very low131 Ų131131.9 Ų131.980%0.80471%0.714SS**  trans110.2155.614872.60000121.5
535H30.9Very low29.5Very low156 Ų156133.9 Ų133.972%0.72272%0.718SS**  trans73.6113.8177-90.4-89.6000118.8
536L24Very low29.1Very low137 Ų137132.1 Ų132.172%0.71771%0.713SS**  56.5129.164.1-62.5170.4000112.7
537D27.5Very low28.7Very low128 Ų128135 Ų13568%0.68472%0.72SS**  cis-150.716428-92.7-52.8000116.4
538V26.4Very low27.9Very low113 Ų113136.9 Ų136.969%0.68573%0.73SS**  trans-4.4137.4148.8-157.20000117.5
539T31.4Very low27.6Very low119 Ų119136.3 Ų136.373%0.7374%0.735SS**  -165.7145.473.849.30000116.1
540D28.5Very low27.2Very low135 Ų135136.8 Ų136.872%0.72274%0.74SS**  trans31.6137.2133.3-56.2-12.1000120.9
541T29.3Very low27.2Very low123 Ų123140.5 Ų140.576%0.75575%0.749SS**  cis-159-169.57.323.50000107.9
542N31.1Very low27Very low137 Ų137143 Ų14373%0.73375%0.754SS**  cis-159.6178.514.6-152.9-0.7000111.9
543S30.8Very low26.8Very low77 Ų77144.2 Ų144.254%0.53876%0.755SS.*  trans47.7145.9152.4-57.60000122.5
544T29.2Very low26.8Very low100 Ų100142.6 Ų142.661%0.61376%0.756SS**  cis-162.1170-45.10.80000110.2
545N30.7Very low26.7Very low149 Ų149142.9 Ų142.980%0.79776%0.757SS**  trans74.997178.5-52-40.8000115.5
546L25.5Very low26.3Very low137 Ų137144.7 Ų144.772%0.71776%0.763SS**  cis79.9102.214-148.3177.8000115.9
547F25.2Very low26.3Very low187 Ų187145.1 Ų145.182%0.8277%0.767SS**  trans166.8126.4142.8-95.5-67.5000105.8
548T24.4Very low26.3Very low119 Ų119145.4 Ų145.473%0.7377%0.766SS**  cis-154136.727.7-51.20000110.2
549L24Very low26.2Very low169 Ų169147.9 Ų147.989%0.88577%0.774SS**  trans178.481.8146.6-105.9173.6000111.8
550E22.6Very low26Very low186 Ų186149.6 Ų149.687%0.86977%0.774SS**  trans-166.9112.3155.4-125.8175-147.300110.1
551Y25.8Very low26Very low232 Ų232151.1 Ų151.191%0.9178%0.777SS**  trans-170.285.5143.8-124-82.6000109.9
552M21.7Very low26Very low175 Ų175151.8 Ų151.886%0.86278%0.776SS**  trans-127.194.1169.3-103.4-72.8-73.800107.3
553H24.2Very low25.7Very low177 Ų177153.3 Ų153.382%0.81978%0.778SS**  trans-174.3161.2148.7-119-99.3000111.9
554S24.9Very low25.7Very low108 Ų108157 Ų15776%0.75579%0.792SS**  trans71.797.5172.8-146.40000117.3
555T22.4Very low25.4Very low136 Ų136159.6 Ų159.683%0.83480%0.802SS**  trans-130.2109.2146.7-69.10000107
556F23.1Very low25.3Very low194 Ų194159.2 Ų159.285%0.85181%0.805SS**  trans-170.1120.1155.8-107.9-68.8000108.3
557D24.4Very low25.4Very low147 Ų147158 Ų15879%0.78681%0.805SS**  trans-165152.1130.8-120.3-28.4000112.7
558I27.3Very low25.3Very low133 Ų133155.4 Ų155.468%0.68281%0.805SS**  trans54.796.1162.4-51.6160.6000117.6
559I24.9Very low25.4Very low166 Ų166158.8 Ų158.885%0.85181%0.812SS**  -127.8119.8120-62.9-177.1000106.5
560E26.3Very low25.4Very low155 Ų155158.7 Ų158.772%0.72481%0.812SS**  trans-88.8129.9169.3-57.3179.612700109.6
561Q29.3Very low25.4Very low166 Ų166157.8 Ų157.878%0.77681%0.813SS**  174.6143.5106.4-95169.311.900113.5
562D27.7Very low25.2Very low138 Ų138152.1 Ų152.174%0.73881%0.807SS**  trans54.390.4152.9-61.810.2000120.6
563E25.9Very low25.4Very low168 Ų168149.9 Ų149.979%0.78581%0.807SS**  31.1114.4119-56-169.9165.800119.2
564N30.3Very low25.3Very low156 Ų156147.2 Ų147.283%0.83481%0.808SS**  -169.7143.291-102.7-83.8000111.9
565L23.4Very low25.2Very low154 Ų154148.5 Ų148.581%0.80681%0.807SS**  trans-138.9119.7-172.2-108170.6000112.4
566T28.5Very low25.3Very low141 Ų141149.8 Ų149.887%0.86580%0.803SS**  trans-148.9103.515245.50000110.8
567P27.3Very low25.3Very low110 Ų110149.8 Ų149.871%0.71481%0.806SS**  trans-91.8147.7171.634.8-31.8000111.6
568T24.1Very low25.4Very low134 Ų134153.1 Ų153.182%0.82281%0.809SS**  trans-152.3154.5165.2-45.50000109.4
569E25.8Very low25.2Very low189 Ų189151 Ų15188%0.88381%0.806SS**  trans71.779.5175.7-49.6-158.815600117
570L23.2Very low25.3Very low168 Ų168147.5 Ų147.588%0.8879%0.788SS**  trans-103.2118.4152.8-97.9168.5000109
571N22.4Very low25.2Very low167 Ų167147.5 Ų147.589%0.89379%0.786SS**  trans176.886.3148.3-97.8-26.8000113.7
572S22.3Very low25Very low113 Ų113143.5 Ų143.579%0.7977%0.77SS**SBendtrans-175157.4147.354.40000111.5
573C25.1Very low24.9Very low127 Ų127139.8 Ų139.886%0.85875%0.752SS**  trans63.684.8173.2-66.20000116
574S23.5Very low25Very low121 Ų121132.3 Ų132.385%0.84672%0.718SS**  trans-69.4120150.8-45.60000108.9
575D22.9Very low24.9Very low136 Ų136127.6 Ų127.673%0.72769%0.691SS**  trans-159.4145.8156.6-117.2-40.3000113
576H24.8Very low25.3Very low162 Ų162120.5 Ų120.575%0.7565%0.653SS**  trans39.390.6162-69.567.6000118.7
577Q23.1Very low25.3Very low194 Ų194117.6 Ų117.691%0.90764%0.636SS**  trans-126.3114.9154.8-84.2-167.8-20.800111.7
578Y25Very low25.5Very low218 Ų218116 Ų11686%0.85562%0.618SS**  trans-72.6121.9159-81.5-101.3000108.4L580Y578-L580 PolarHBondContact O-N 3.07Å
579S23.3Very low25.5Very low88 Ų88116.5 Ų116.562%0.61562%0.615SS**  trans-78.466.8-177.8171.60000111.9K581S579-K581 PolarHBondContact O-N 3.21Å; S579-K581 VanDerWaalsContact OG-CE 3.31Å; S579-K581 WeakPolarHBondContact OG-CE 3.48Å
580L27.6Very low25.6Very low93 Ų93112.5 Ų112.549%0.48760%0.596SS.*  trans-63.897.2166.2-97.4166.6000109.6V495 Y578V495-L580 HydrophobicContact CG1-CD2 3.67Å; Y578-L580 PolarHBondContact O-N 3.07Å
581K24.4Very low25.6Very low154 Ų154113.8 Ų113.867%0.6760%0.598SS**  trans-98.7136.2169.9-72.5171.9-179.41680108.2S579S579-K581 PolarHBondContact O-N 3.21Å; S579-K581 VanDerWaalsContact OG-CE 3.31Å; S579-K581 WeakPolarHBondContact OG-CE 3.48Å
582D24.5Very low25.7Very low82 Ų82111.4 Ų111.444%0.43958%0.584SS.*  trans73.495.7177.5-54.7-41.1000116.9
583V26.2Very low25.7Very low60 Ų60111.4 Ų111.436%0.36458%0.579SS.*BIsolated β-bridgetrans-105.7142.1172.5179.50000109.5P3P3-V583 WeakPolarHBondContact CA-O 3.43Å
584V27.7Very low25.6Very low11 Ų11113.8 Ų113.87%0.06758%0.582CS.*  trans-137.2146.7-168.2167.80000108.7I4 S493 L494I4-V584 HydrophobicContact CB-CB 4.31Å; I4-V584 HydrophobicContact CB-CG1 3.51Å; I4-V584 HydrophobicContact CB-CG2 3.94Å; I4-V584 HydrophobicContact CG2-CG1 3.84Å; I4-V584 WeakPolarHBondContact O-CG1 3.49Å; S493-V584 CarbonylContact C-O 3.08Å; S493-V584 WeakPolarHBondContact CA-O 3.43Å; S493-V584 WeakPolarHBondContact CB-O 3.46Å; S493-V584 PolarHBondContact OG-O 2.69Å; L494-V584 HydrophobicContact CB-CB 3.71Å; L494-V584 HydrophobicContact CB-CG1 3.45Å; L494-V584 VanDerWaalsContact CB-CG1 3.45Å; L494-V584 HydrophobicContact CD1-CG1 3.66Å; L494-V584 HydrophobicContact CG-CG1 3.89Å; L494-V584 PolarHBondContact N-O 2.86Å; L494-V584 WeakPolarHBondContact O-CA 3.44Å; L494-V584 VanDerWaalsContact O-CB 3.27Å; L494-V584 WeakPolarHBondContact O-CB 3.46Å; L494-V584 PolarHBondContact O-N 2.84Å
585H28.4Very low25.5Very low58 Ų58116.5 Ų116.527%0.26958%0.582SS.*  trans-126.3128.2-172.7-92.2-109.5000113.6P3 I4 S5 S493P3-H585 HydrophobicContact CB-CB 3.72Å; P3-H585 VanDerWaalsContact CB-N 3.25Å; P3-H585 HydrophobicContact CG-CB 4.43Å; I4-H585 CarbonylContact O-C 3.48Å; I4-H585 PolarHBondContact O-N 3.28Å; S5-H585 WeakPolarHBondContact CA-O 3.4Å; S5-H585 WeakPolarHBondContact CB-O 3.39Å; S493-H585 PolarHBondContact OG-CD2 3.05Å; S493-H585 VanDerWaalsContact OG-CD2 3.3Å; S493-H585 PolarHBondContact OG-CE1 2.92Å; S493-H585 PolarHBondContact OG-ND1 3.45Å; S493-H585 PolarHBondContact OG-NE2 2.83Å
586F30.3Very low25.8Very low5 Ų5115 Ų1152%0.02258%0.582CS.*  trans-84.8149.4156-51.5-113.5000109.5F6 I8 V75 G491 I492 L494F6-F586 HydrophobicContact CB-CD1 4.33Å; F6-F586 HydrophobicContact CB-CE1 4.04Å; F6-F586 HydrophobicContact CD1-CE1 4.27Å; F6-F586 WeakPolarHBondContact O-CD1 3.44Å; I8-F586 HydrophobicContact CD1-CD1 4.48Å; I8-F586 HydrophobicContact CD1-CE1 3.61Å; I8-F586 HydrophobicContact CD1-CZ 4.09Å; I8-F586 HydrophobicContact CG1-CD1 4.43Å; I8-F586 HydrophobicContact CG1-CE1 3.76Å; V75-F586 HydrophobicContact CB-CE2 4.09Å; V75-F586 HydrophobicContact CB-CZ 4.24Å; G491-F586 VanDerWaalsContact CA-O 3.3Å; G491-F586 WeakPolarHBondContact CA-O 3.49Å; I492-F586 VanDerWaalsContact C-CD2 3.42Å; I492-F586 HydrophobicContact CB-CB 4.25Å; I492-F586 HydrophobicContact CB-CD2 3.8Å; I492-F586 HydrophobicContact CB-CE2 4.27Å; I492-F586 HydrophobicContact CB-CG 4.16Å; I492-F586 HydrophobicContact CG2-CD2 3.68Å; I492-F586 HydrophobicContact CG2-CE2 3.66Å; I492-F586 HydrophobicContact CG2-CG 4.45Å; I492-F586 HydrophobicContact CG2-CZ 4.47Å; I492-F586 CarbonylContact O-C 3.45Å; I492-F586 VanDerWaalsContact O-CA 3.23Å; I492-F586 WeakPolarHBondContact O-CA 3.38Å; I492-F586 WeakPolarHBondContact O-CB 3.42Å; I492-F586 WeakPolarHBondContact O-CD2 3.35Å; I492-F586 PolarHBondContact O-N 3.35Å; L494-F586 HydrophobicContact CB-CE2 4.36Å; L494-F586 HydrophobicContact CD1-CE2 4.47Å; L494-F586 HydrophobicContact CD1-CZ 4.39Å; L494-F586 HydrophobicContact CD2-CE1 4.46Å; L494-F586 HydrophobicContact CD2-CE2 3.5Å; L494-F586 VanDerWaalsContact CD2-CE2 3.5Å; L494-F586 HydrophobicContact CD2-CZ 3.34Å; L494-F586 HydrophobicContact CG-CD2 4.28Å; L494-F586 HydrophobicContact CG-CE2 3.44Å; L494-F586 VanDerWaalsContact CG-CE2 3.44Å; L494-F586 HydrophobicContact CG-CZ 3.66Å
587T30Very low25.9Very low80 Ų80113.2 Ų113.249%0.49158%0.578SS.*  trans-138.4122.6166.436.10000109.5N589T587-N589 PolarHBondContact O-N 3.02Å
588F30.1Very low26.1Very low77 Ų77113.7 Ų113.734%0.33857%0.572SS.*  trans-83.192.4165.1-73.3-79.2000107.6M10M10-F588 HydrophobicContact CE-CE1 4.17Å; M10-F588 HydrophobicContact CE-CZ 3.72Å; M10-F588 HydrophobicContact SD-CZ 4.2Å
589N23.9Very low26.1Very low143 Ų143112.5 Ų112.577%0.76557%0.571SS**  trans-72.8131.8178.7-73.6-7.6000110.7T587T587-N589 PolarHBondContact O-N 3.02Å
590E29.5Very low26.4Very low105 Ų105113.1 Ų113.149%0.49158%0.575SS.*  trans-112.8132.7174.7-168.8170.7-121.300108.1T487 I592T487-E590 WeakPolarHBondContact CG2-OE1 3.16Å; E590-I592 HydrophobicContact CG-CD1 3.91Å; E590-I592 HydrophobicContact CG-CG1 4.08Å
591E22.7Very low26.5Very low195 Ų195114.7 Ų114.791%0.91159%0.589SS**  trans-123.7123.5175.5-171.3173.7-130.700108.6
592I23.5Very low26.8Very low117 Ų117114.5 Ų114.560%0.659%0.594SS**  trans-131143.9-171.8-73.2177.2000110.3E590E590-I592 HydrophobicContact CG-CD1 3.91Å; E590-I592 HydrophobicContact CG-CG1 4.08Å
593T23.1Very low26.8Very low113 Ų113117.2 Ų117.269%0.69361%0.609SS**  trans61.1107.5173.344.60000118.2E595T593-E595 HydrophobicContact CG2-CB 4.47Å
594L22.4Very low27.1Very low177 Ų177120.9 Ų120.993%0.92763%0.631SS**  -109.3114.2111.5-77.3175.9000108.6
595E23.2Very low27.2Very low178 Ų178127.8 Ų127.883%0.83266%0.663SS**  trans-128.1132.8163.4-169.5173.3-114.600107.3T593T593-E595 HydrophobicContact CG2-CB 4.47Å
596S27.9Very low27.1Very low104 Ų104132.1 Ų132.173%0.72769%0.688SS**  trans-148.7101.4-172.2-75.10000111.2
597D26.5Very low27Very low125 Ų125135.6 Ų135.667%0.66873%0.725SS**  trans61.3133.6165.3-81.4-13.9000117.7
598R27.7Very low27Very low205 Ų205140.4 Ų140.477%0.77474%0.744SS**  cis-156.3145.814-112.7151.9-149.7-179.914.5112.7
599K25.2Very low26.8Very low193 Ų193143.7 Ų143.784%0.83977%0.765SS**  trans11.3133.6141.2-65.3175.6175.2175.20116.8
600S30.2Very low26.9Very low100 Ų100145.1 Ų145.170%0.69977%0.768SS**  -176.914559.2330000113.5
601T28.5Very low26.7Very low127 Ų127145.2 Ų145.278%0.77978%0.78SS**  trans52.7140.7148.653.40000119.9
602L31Very low26.8Very low150 Ų150142.9 Ų142.979%0.78578%0.778SS**  cis-157153.414.8-130.3161.6000109.8
603D25.2Very low27Very low139 Ų139140.5 Ų140.574%0.74378%0.783SS**  trans-70.4156.4176-43-97.9000113
604T32.9Very low27.1Very low136 Ų136141.8 Ų141.883%0.83479%0.786SS**  -171143.8124.8-710000111.6
605E28.7Very low27.2Very low157 Ų157140.5 Ų140.573%0.73478%0.775SS**  trans-52.4159.4-176.4-58.6-17891.900120.8
606N27.6Very low27.4Very low148 Ų148138.1 Ų138.179%0.79177%0.767SS**  trans44.7122134.1-62-38000121.5
607G28Very low27.5Very low78 Ų78140.3 Ų140.380%0.80477%0.769SS**  trans177.481.3163.900000119.3
608M29.4Very low27.4Very low181 Ų181141.8 Ų141.889%0.89277%0.772SS**  trans24.8120.6150.2-63-175.2-176.900122.4
609N25.1Very low27.4Very low147 Ų147138.3 Ų138.379%0.78677%0.769SS**  45.3127.5128.3-85.5-30000123.3
610Q26.4Very low27.6Very low173 Ų173134.5 Ų134.581%0.80877%0.766SS**  trans8194.2141.2-65.9-17624.400121.9
611S25Very low27.4Very low107 Ų107137 Ų13775%0.74877%0.767SS**  93.4145.4105.8-150.20000121.6
612V26Very low27.2Very low145 Ų145137.3 Ų137.388%0.87976%0.764SS**  trans66.3131.9167.9-161.70000117.4
613G26.8Very low27.1Very low68 Ų68136.9 Ų136.970%0.70177%0.768SS**  trans153.937.9155.800000122.8
614N25.5Very low27.1Very low140 Ų140135.3 Ų135.375%0.74977%0.767SS**  trans43.6141.6147.1-93.632.8000124.9
615E25.5Very low26.9Very low149 Ų149135 Ų13570%0.69677%0.765SS**  trans99.8111.7135.2-76.5168.7-134.700124.1
616I25.8Very low26.7Very low129 Ų129135.1 Ų135.166%0.66277%0.77SS**  73.9104.4128-60.9164.3000120.3
617L29.7Very low26.6Very low149 Ų149131.8 Ų131.878%0.7877%0.772SS**  177.6123113.5-105132.9000107.4
618Q25.2Very low26.5Very low157 Ų157136.3 Ų136.373%0.73477%0.771SS**  47.8126.270.9-73.3-177.2-18.300112.4
619N26.8Very low26.4Very low131 Ų131134.6 Ų134.670%0.70177%0.771SS**  cis-160.8-166.235.8-127.83.1000113.1
620S30.1Very low26.3Very low113 Ų113135.1 Ų135.179%0.7977%0.769SS**  trans72.8109.2178.2-63.10000115
621Q25.3Very low26.1Very low154 Ų154135 Ų13572%0.7277%0.768SS**  cis82.4138.416.3-143.8-168.7-35.200116.5
622D25.6Very low26.3Very low132 Ų132136.9 Ų136.971%0.70678%0.775SS**  trans68.596.7169.3-60.6-22.3000120.4
623V28.3Very low26.2Very low142 Ų142136.2 Ų136.286%0.86177%0.766SS**  -132.5133118.9177.60000108.2V625V623-V625 HydrophobicContact CG1-CG2 4.28Å
624S24.8Very low26.2Very low106 Ų106140.9 Ų140.974%0.74178%0.775SS**  trans-131.4135.8171-178.50000109.4
625V29.9Very low26.2Very low128 Ų128142.4 Ų142.478%0.77678%0.775SS**  trans-135114.8174.3-178.80000108.5V623V623-V625 HydrophobicContact CG1-CG2 4.28Å
626N23.7Very low26.1Very low160 Ų160143.1 Ų143.186%0.85678%0.778SS**  trans-79.6134.4169.5-77.6-41.4000110
627G26.8Very low26.1Very low79 Ų79146.4 Ų146.481%0.81479%0.788SS**  trans-131.3107.516600000109.1
628H25.2Very low25.9Very low172 Ų172146.8 Ų146.880%0.79679%0.789SS**  trans-115122.3-179.1-144.972.3000108.4
629V26.9Very low25.9Very low146 Ų146143 Ų14389%0.88578%0.781SS**  trans-138.8125.8169.3-178.80000107.3
630E23.5Very low26Very low158 Ų158144.3 Ų144.374%0.73878%0.782SS**  trans-102.2167.2177.2-104.7-175.6143.800111.5
631E22.7Very low25.8Very low169 Ų169146.3 Ų146.379%0.7978%0.777SS**  trans48110.2164.2-62.7-162.3129.800119.8
632V28Very low25.9Very low148 Ų148145.9 Ų145.990%0.89779%0.785SS**  -138.7142.8110.6-164.10000109.2
633N24.1Very low26Very low131 Ų131146.5 Ų146.570%0.70178%0.783SS**  trans-63.8149.7168.3-77.7-79.8000111.9
634N27.4Very low26.1Very low165 Ų165145.4 Ų145.488%0.88278%0.782SS**  -163.2156.7116.5-100.1-23.5000113.3
635K25Very low26.4Very low173 Ų173147.5 Ų147.575%0.75278%0.782SS**  trans-112.3164.8174.7-82.5-175.7170.9-171.90110.4
636E24Very low26.3Very low163 Ų163147.7 Ų147.776%0.76278%0.779SS**  trans60.8114.4151.2-74.9155.8-170.600118.1
637F25Very low26.6Very low198 Ų198147.3 Ų147.387%0.86878%0.777SS**  -149.1139.4119.8-123.2-81.1000110.8
638I25.3Very low26.7Very low158 Ų158149 Ų14981%0.8177%0.771SS**  trans-143.8158.7172.5-70.5-176.1000106.4
639S26Very low26.9Very low78 Ų78150.5 Ų150.555%0.54578%0.775SS.*  trans76.7152.9179-1130000114.8
640E27.6Very low27Very low157 Ų157147.1 Ų147.173%0.73477%0.77SS**  cis-120.517810.6-79.2-159.6106.300115.4
641K26.3Very low27.3Very low156 Ų156148.6 Ų148.668%0.67877%0.774SS**  trans-89.3172.5-177.2-52.9170.6176173.90113.5E643K641-E643 HydrophobicContact CD-CG 3.9Å; K641-E643 IonicContact NZ-OE1 3.92Å; K641-E643 PolarHBondContact NZ-OE1 3.35Å
642T28.6Very low27.4Very low145 Ų145145.6 Ų145.689%0.8977%0.771SS**  -123.6149.1126.346.40000110.4
643E27Very low27.3Very low144 Ų144145.5 Ų145.567%0.67376%0.764SS**  trans-105.8148.3175.7-67.3176.7152.900109.6K641K641-E643 HydrophobicContact CD-CG 3.9Å; K641-E643 IonicContact NZ-OE1 3.92Å; K641-E643 PolarHBondContact NZ-OE1 3.35Å
644S30.3Very low27.4Very low119 Ų119144.6 Ų144.683%0.83276%0.763SS**  168.5165.7104.342.10000109.3
645M30.6Very low27.2Very low151 Ų151142.9 Ų142.974%0.74476%0.758SS**  cis-165.3148.5-36.1-168171.685.600106.1
646D28.9Very low27.4Very low132 Ų132139.1 Ų139.171%0.70675%0.751SS**  trans64.2155.1178.8-49.6-41.2000115.6
647D29.5Very low27.5Very low152 Ų152137.4 Ų137.481%0.81375%0.748SS**  cis-139.9-168.69.7-153.9-21.5000112.2
648V29.1Very low27.5Very low113 Ų113133.2 Ų133.269%0.68574%0.743SS**  trans-107.2158.2-151.7164.30000115.4
649K29.3Very low27.9Very low205 Ų205131.3 Ų131.389%0.89174%0.741SS**  trans77.8146.2173-76.1153.4178173.40117
650G28.1Very low28Very low75 Ų75134 Ų13477%0.77375%0.754SS**  trans-171.2-35.2171.800000117.8
651K30.1Very low27.9Very low189 Ų189131.6 Ų131.682%0.82276%0.76SS**  trans58.682.6176.4-164.785.6-179.6-172.70115.1I653K651-I653 PolarHBondContact O-N 3.05Å
652S26.1Very low27.8Very low105 Ų105127.5 Ų127.573%0.73476%0.762SS**  trans-60128.4157.6-179.80000109.7V654S652-V654 PolarHBondContact O-N 3.13Å
653I24.2Very low27.8Very low146 Ų146125.8 Ų125.875%0.74976%0.756SS**  trans-89.990.8171.4-60.6178.1000107.5K651 V655K651-I653 PolarHBondContact O-N 3.05Å; I653-V655 HydrophobicContact CG2-CG2 4.1Å
654V27.2Very low27.7Very low113 Ų113126 Ų12669%0.68576%0.761SS**  trans-96.1123.1158.1179.60000106.8S652 P656S652-V654 PolarHBondContact O-N 3.13Å; V654-P656 WeakPolarHBondContact O-CD 3.4Å
655V23.6Very low27.6Very low129 Ų129129 Ų12978%0.78276%0.76SS**  trans-97.5119.4169177.40000108I653I653-V655 HydrophobicContact CG2-CG2 4.1Å
656P28Very low27.6Very low93 Ų93129.2 Ų129.260%0.60476%0.763SS**  trans-121124.6158.835-23.9000111.7V654V654-P656 WeakPolarHBondContact O-CD 3.4Å
657D25.7Very low27.6Very low128 Ų128131.1 Ų131.168%0.68477%0.765SS**  trans40.8137.1145.6-58.6-52.8000123.4
658S27Very low27.4Very low110 Ų110130.7 Ų130.777%0.76976%0.762SS**  trans-60.1128.5169.1179.70000113V660S658-V660 PolarHBondContact O-N 3.46Å
659P32.4Very low27.3Very low117 Ų117134.2 Ų134.276%0.7677%0.771SS**  trans-79.7114.9170.530.9-31.9000111.4
660V28.1Very low27.2Very low136 Ų136128.6 Ų128.682%0.82476%0.762SS**  trans-53.5147.31671730000110.9S658 G662S658-V660 PolarHBondContact O-N 3.46Å; V660-G662 PolarHBondContact O-N 3.25Å
661A25.6Very low27.1Very low105 Ų105133.3 Ų133.387%0.86877%0.769SS**SBendtrans-48.3120.9-172.200000114.8
662G24.4Very low26.9Very low70 Ų70128.9 Ų128.972%0.72276%0.762SS**  trans-155.8139.3172.500000111.6V660V660-G662 PolarHBondContact O-N 3.25Å
663S27.7Very low26.9Very low109 Ų109135.3 Ų135.376%0.76277%0.77SS**  trans63.261.1176.3-153.90000117.3
664L26Very low27.2Very low149 Ų149133.2 Ų133.278%0.7878%0.775SS**  trans-105.336.1162.7-139.6167.4000112
665K27.3Very low27.3Very low183 Ų183133.5 Ų133.580%0.79678%0.781SS**SBendtrans-105.5-11.7-178.7-144.3174.4-176.2-178.90114.5
666N30.7Very low27.6Very low154 Ų154135.9 Ų135.982%0.82478%0.784SS**SBendtrans-10530.8-177.6-68.87.5000113.8
667K28.7Very low27.8Very low172 Ų172140.8 Ų140.875%0.74880%0.796SS**SBendtrans-134.613.5-179.1-139.2175-173.9178.10115.3
668I26.9Very low28.1Very low143 Ų143143.2 Ų143.273%0.73380%0.803SS**SBendtrans-98.5-10.7-177-72.5173.9000112.7
669E26.2Very low28.2Very low188 Ų188143.1 Ų143.188%0.87980%0.802SS**SBendtrans-95.53.5-174.9-132.1175.7175.800115.2
670A27.1Very low27.9Very low86 Ų86146.9 Ų146.971%0.71181%0.81SS**SBendtrans-104.84.3-170.500000115.8
671L25.8Very low28Very low174 Ų174148 Ų14891%0.91181%0.811SS**SBendtrans-127.926.5-173.2-78.3171.5000114.5
672S27.3Very low28.3Very low96 Ų96147.9 Ų147.967%0.67180%0.804SS**SBendtrans-110.37.5-176.658.90000115.4
673R26.1Very low28.7Very low240 Ų240150.9 Ų150.991%0.90681%0.809SS**  trans-13663.1-174.4-70.6-172.4175.5159.31.9114.6
674A28.5Very low28.9Very low103 Ų103151.2 Ų151.285%0.85181%0.808SS**  trans-157.269.3168.700000114.3
675S29.7Very low29.2Very low118 Ų118152.5 Ų152.583%0.82581%0.814SS**  trans175.5113.6143.4-174.10000111.7
676Q31.4Very low29.4Very low179 Ų179149 Ų14984%0.83681%0.813SS**SBendtrans127.9119.7174-78.6-172.744.800109.5
677K31.5Very low29.8Very low196 Ų196147.2 Ų147.285%0.85281%0.81SS**  cis-138.4172.6-7.1-102.1-178.1178.1179.10110
678Q32Very low30.2Very low179 Ų179144.5 Ų144.584%0.83681%0.809SS**  trans-82.3153.7-170.9-61.4161.3-56.400113.7
679S28.6Very low30.2Very low108 Ų108142.7 Ų142.776%0.75581%0.809SS**  trans42.7122.414163.90000120.9
680E27.3Very low30.2Very low196 Ų196139.7 Ų139.792%0.91680%0.804SS**  trans-136.3127.4144.8-72.2-167.2167.300110.5
681N30Very low30.2Very low159 Ų159141.1 Ų141.185%0.8580%0.804SS**  trans-167.3112.3135-130.6-17.7000111.8
682S31.2Very low30.2Very low104 Ų104140 Ų14073%0.72780%0.798SS**  172.4127.4119.647.20000113.7
683T32.8Very low30.1Very low133 Ų133139.7 Ų139.782%0.81680%0.796SS**  trans70.9117.7156.2-10.60000120.4
684P31.7Very low30.1Very low116 Ų116135 Ų13575%0.75379%0.789SS**  trans-106.3168.7165.639.7-33000113.3
685I32.4Very low30Very low176 Ų176136 Ų13690%0.90379%0.785SS**  trans-163.4161151-106.4155.7000111.1
686S30.8Very low30Very low109 Ų109136.4 Ų136.476%0.76278%0.782SS**  trans-87.9162.4-157.7-56.10000117.8
687P40.8Very low29.8Very low117 Ų117131.1 Ų131.176%0.7678%0.775SS**  trans-92.1179.7173.542.4-39.3000112.3
688P36.5Very low29.7Very low114 Ų114128.2 Ų128.274%0.7478%0.775SS**  -157.2167.18842.2-22.5000119
689S25.8Very low29.5Very low105 Ų105125.4 Ų125.473%0.73477%0.769SS**  trans60.8120.8142.7-65.80000125.2
690V26.5Very low29.7Very low125 Ų125127.9 Ų127.976%0.75877%0.768SS**  59128.8124.4-170.90000117.7
691T26.7Very low29.9Very low116 Ų116124.2 Ų124.271%0.71276%0.755SS**  -173.1147.778.3-39.30000114
692L26Very low30Very low151 Ų151123.3 Ų123.379%0.79175%0.749SS**  trans50115.1151.7-81.2164.8000123.9
693S26.5Very low30Very low90 Ų90125.9 Ų125.963%0.62975%0.747SS**  93.9132.3116.476.80000123.8
694N24.8Very low29.8Very low141 Ų141125.3 Ų125.375%0.75474%0.735SS**  trans85.5138.8136.4-71.5-1.1000124.7
695T26.4Very low29.8Very low125 Ų125128.2 Ų128.277%0.76774%0.736SS**  trans83.8120.1143.634.80000123.4
696T30.2Very low29.6Very low125 Ų125128.7 Ų128.777%0.76773%0.734SS**  trans79.486.1137-47.90000120.7
697G26.5Very low29.4Very low68 Ų68128.3 Ų128.370%0.70173%0.731SS**  67.2162.699.900000122.3
698T30.7Very low28.7Very low136 Ų136127.5 Ų127.583%0.83473%0.728SS**  trans89.4128.7168.8-39.70000116.2
699V28.5Very low28.2Very low119 Ų119131.1 Ų131.172%0.72173%0.733SS**  cis-164.7156.1-2895.20000111.7
700H30.9Very low28.4Very low160 Ų160133.3 Ų133.374%0.74173%0.731SS**  trans69.4148.4157.7-90.3-152.8000123.4
701L33Very low28.4Very low120 Ų120133.9 Ų133.963%0.62873%0.73SS**  trans158.39.1142.6-77.650000122.9
702L30.9Very low28.6Very low139 Ų139133 Ų13373%0.72874%0.735SS**  trans64.2158.6162.7-76.5167.6000117.5
703K31Very low28.7Very low158 Ų158135 Ų13569%0.68774%0.741SS**  cis-147.7140.7-6.2-156.4163.6178.8174.10111.6
704E30.3Very low28.8Very low122 Ų122138.8 Ų138.857%0.5775%0.748SS**  trans17.6152.9145.9-54.5-177.4111.300122.8
705K30.5Very low29.3Very low176 Ų176137.1 Ų137.177%0.76575%0.745SS**  cis-165.1172.2-6.4-116.1170.4-177.7160.30111.3
706H29.4Very low29.5Very low187 Ų187137 Ų13787%0.86674%0.744SS**  trans-93.7165.9169.9-75.4-113.5000113.8
707S26Very low29.3Very low100 Ų100139.5 Ų139.570%0.69974%0.744SS**  trans87.799.11351780000121.9
708S25.8Very low29.4Very low101 Ų101142.1 Ų142.171%0.70675%0.748SS**  97.1131.1117.4-57.70000123.4
709F27Very low29.3Very low189 Ų189143.6 Ų143.683%0.82975%0.746SS**  trans71.2120.6140.5-94.4-100000123.8
710E28.3Very low29.2Very low151 Ų151145.4 Ų145.471%0.70675%0.751SS**  113.5109.2125.2-152.5152.9-15600121.9
711N27.3Very low29.3Very low137 Ų137144.1 Ų144.173%0.73376%0.756SS**  trans50.5131.6146.4-63.4-25.3000125.5
712A30Very low29Very low99 Ų99149.9 Ų149.982%0.81877%0.77SS**  trans65.9152.615200000118.8
713E28.8Very low28.9Very low193 Ų193152.1 Ų152.190%0.90278%0.777SS**  cis-142.91808.5-153.4166.7-15900112.1
714E28Very low29Very low169 Ų169155.2 Ų155.279%0.7978%0.784SS**  trans-72.8179.7177.3-114.6-15310800113.1
715P35.9Very low29.2Very low105 Ų105155.6 Ų155.668%0.68280%0.795SS**  cis-143.9-172.320.528.9-1.4000118.4
716V30.5Very low29.3Very low123 Ų123151 Ų15175%0.74580%0.798SS**  trans101.7101.3150.1-163.60000120.6
717K25.5Very low29.7Very low177 Ų177152.3 Ų152.377%0.7780%0.801SS**  trans-22.6151.4149.3-90.3168.8178.1162.70119.2
718P30.3Very low29.9Very low123 Ų123154.7 Ų154.780%0.79980%0.804SS**  -129.9126.287.632-20.3000113.2
719Q28.6Very low30.3Very low168 Ų168158.1 Ų158.179%0.78581%0.814SS**  71126.785.5-71.9-158.720.200116.1
720L25.7Very low30.4Very low157 Ų157153.5 Ų153.582%0.82281%0.805SS**  trans-73.5145.8164.4-65.391.1000110.5
721P32.9Very low30.6Very low132 Ų132153 Ų15386%0.85781%0.812SS**  trans-74.1135.6165.131.7-33.1000110.7
722R25.7Very low30.7Very low241 Ų241153.8 Ų153.891%0.90981%0.809SS**  trans-152.2103.6174.6-175.8-172.9-169.2174.85.5111.5
723E29.2Very low30.9Very low186 Ų186156 Ų15687%0.86981%0.806SS**  trans-165.8123.6153.2-126.7-179.3-139.900114.2
724R34.5Very low30.9Very low224 Ų224156.2 Ų156.285%0.84580%0.799SS**  -169.5111.7117.6-110.6-177.8173178.8-2.5113.9
725T33.1Very low31.1Very low129 Ų129155.4 Ų155.479%0.79179%0.793SS**  trans51.9119.2137.956.40000122.2
726G33.5Very low30.9Very low80 Ų80157.3 Ų157.383%0.82579%0.793SS**  trans118.6131.515100000114.9
727K37.8Very low30.9Very low214 Ų214157.5 Ų157.593%0.9380%0.8SS**  cis-150.4166-8.7-141.1177.8-173.2-179.10109.9
728I30.3Very low31.3Very low151 Ų151152.3 Ų152.377%0.77480%0.796SS**  trans-89.6143.1-171.3-65.6156.1000111.5
729L33.8Very low31.5Very low173 Ų173154.9 Ų154.991%0.90680%0.802SS**  -145.1152.5128.7-108.2177.3000110.9
730S28.9Very low31.7Very low91 Ų91151.1 Ų151.164%0.63679%0.794SS**  trans-153.8153-173.4175.10000107.6
731V33.1Very low32.1Very low142 Ų142149.6 Ų149.686%0.86179%0.791SS**  trans-174.1160.2130.1142.50000108.7
732K27.8Very low32.1Very low153 Ų153152.5 Ų152.567%0.66579%0.79SS**  trans-151.9144.7-169.4154.6-173.4172.3-170.20105.3
733D35Very low32.5Very low144 Ų144146.7 Ų146.777%0.7778%0.784SS**  -171.6172.2126.7-106-38.7000117.6
734R29.8Very low33.3Very low198 Ų198143.3 Ų143.375%0.74778%0.778SS**  trans-75.1-176.2180-66170161.9178.6-6.9111.4
735F31.4Very low33.1Very low153 Ų153138.6 Ų138.667%0.67178%0.779SS**  cis-172.3143.936.7-158.9-142.5000114.4
736E30.7Very low33Very low145 Ų145138 Ų13868%0.67878%0.781SS**  trans56.8153.5144.3-80.8-175.8-171.800127.3
737S31.7Very low33.3Very low126 Ų126140.4 Ų140.488%0.88178%0.782SS**  trans76.6139.8166.275.80000118.9
738G32.8Very low33Very low68 Ų68133.8 Ų133.870%0.70177%0.774SS**  cis173.3176.2-8.900000114
739I35.4Very low32.8Very low178 Ų178132 Ų13291%0.91378%0.775SS**  trans81.5135.4173.3-55172.4000116.2
740S32.2Very low32.8Very low88 Ų88131.5 Ų131.562%0.61577%0.772SS**  cis-171.3170-24-167.10000112.8
741T35.6Very low33Very low126 Ų126133.2 Ų133.277%0.77378%0.779SS**  trans82.8146.1162.473.50000120.6
742K31.4Very low32.9Very low192 Ų192131.6 Ų131.684%0.83577%0.774SS**  -164.5161.8-50.9-116.9-179176.8-175.50110.8
743P35Very low33.4Very low119 Ų119129.8 Ų129.877%0.77378%0.778SS**  trans-114.7-148.4-168.147.5-36.3000114.2
744P45.4Very low33.2Very low116 Ų116132.1 Ų132.175%0.75378%0.781SS**  -126.5-177.3-122.435.5-12000117.2
745S30.9Very low33.2Very low124 Ų124132.1 Ų132.187%0.86779%0.786SS**  trans-161.7160.9168.6-69.70000113.8
746S30.8Very low33.1Very low117 Ų117129.9 Ų129.982%0.81879%0.785SS**  trans-128.8-161.4-179.7-38.80000110.1
747P40.4Very low32.9Very low130 Ų130129.8 Ų129.884%0.84479%0.789SS**  cis-134.1-169.5-26.140.4-22.7000113.8
748G29.7Very low32.7Very low75 Ų75129.1 Ų129.177%0.77378%0.78SS**  trans145.270147.700000125.4
749S28.1Very low32.4Very low114 Ų114133.8 Ų133.880%0.79778%0.784SS**  trans34137.6139.9-156.10000126.7
750L32.1Very low32.2Very low162 Ų162133.8 Ų133.885%0.84878%0.78SS**  trans-170.3105.3143.7-100.5160000109.7
751V34.3Very low32Very low127 Ų127134.8 Ų134.877%0.7778%0.782SS**  86.4138.591.7170.50000117.2
752S30.6Very low31.7Very low108 Ų108135.4 Ų135.476%0.75578%0.781SS**  trans-113.2-174.9-168.8-39.20000114.3
753P39.2Very low31.8Very low115 Ų115132.6 Ų132.675%0.74778%0.78SS**  -157169.3110.340.4-22.4000119.6
754K30.3Very low31.7Very low194 Ų194132.2 Ų132.284%0.84378%0.777SS**  trans78.5127169.5-57.6-179.4180177.90116.8
755K28.7Very low30.9Very low197 Ų197131.3 Ų131.386%0.85778%0.78SS**  cis90.4136.631.6-72.5-159169-172.40114.1
756V29.7Very low30.7Very low106 Ų106131 Ų13164%0.64278%0.777SS**  cis-161.2149.84.7107.80000113.5
757N26.8Very low30.5Very low143 Ų143129.8 Ų129.877%0.76577%0.769SS**  trans52.1161.9161.8-57.57.3000119.4
758T28.2Very low30.2Very low112 Ų112131.8 Ų131.869%0.68777%0.771SS**  cis-146.8152.118.2-520000112
759E25.2Very low30.3Very low167 Ų167135.9 Ų135.978%0.7877%0.774SS**  trans27.2124.2160.4-64166.916600122.6
760Q32Very low30.5Very low177 Ų177134.4 Ų134.483%0.82776%0.764SS**  -178.5134102.1-95.5-178.822.200114.9
761T27.5Very low30.7Very low110 Ų110134 Ų13468%0.67576%0.758SS**  trans29.4138.3148.9570000125.5
762N30.4Very low31Very low139 Ų139131.8 Ų131.874%0.74375%0.753SS**  trans9098.9138.3-691.2000123.3
763T31.8Very low31.8Very low133 Ų133132.3 Ų132.382%0.81674%0.743SS**  trans59.9154130.2390000123.1
764P34.3Very low32.7Very low110 Ų110131.7 Ų131.771%0.71474%0.738SS**  trans-112.5157.7-159.642.5-34.3000116.8S766P764-S766 PolarHBondContact O-N 3.35Å
765A28.3Very low35Very low97 Ų97126.8 Ų126.880%0.80272%0.72SS**  trans40.166.5137.300000119.2
766S26.4Very low37.8Very low117 Ų117118.1 Ų118.182%0.81868%0.684SS**  trans-161.779155.6-81.40000110.9P764P764-S766 PolarHBondContact O-N 3.35Å
767S26.1Very low40.6Very low93 Ų93116.7 Ų116.765%0.6567%0.67SS**  trans-151.35.5-171.5-43.20000117
768I34.3Very low43.5Very low171 Ų171113.2 Ų113.288%0.87765%0.654SS**SBendtrans-109.26.9-170.9-57.9180000112.7
769L31.7Very low46.3Very low161 Ų161109.4 Ų109.484%0.84363%0.628SS**SBendtrans-120.7-1.2179.8-83.7168.3000115
770S33Very low49.4Very low83 Ų83101.8 Ų101.858%0.5859%0.592SS**SBendtrans-94.7-19.1-171.544.50000115.7
771E36.6Very low52.3Low155 Ų15597.4 Ų97.472%0.72457%0.572SS**SBendtrans-90.2-35.8-174.5-63.5-173.3151.200113.4E773 T774E771-E773 PolarHBondContact O-N 3.27Å; E771-E773 VanDerWaalsContact O-N 3.17Å; E771-T774 WeakPolarHBondContact O-CB 3.33Å; E771-T774 WeakPolarHBondContact O-CG2 3.45Å; E771-T774 PolarHBondContact O-N 3.48Å; E771-T774 VanDerWaalsContact O-N 3.14Å; E771-T774 PolarHBondContact O-OG1 3.38Å
772A39.2Very low55.2Low80 Ų8099.1 Ų99.166%0.66157%0.566SS**THydrogen-bonded Turntrans-64.2-23.3-174.700000114.1T774 T778A772-T774 VanDerWaalsContact C-N 3.34Å; A772-T778 PolarHBondContact O-OG1 2.76Å; A772-T778 VanDerWaalsContact O-OG1 3.12Å
773E47.9Very low58.1Low119 Ų11992.6 Ų92.656%0.55653%0.531SS*.THydrogen-bonded Turntrans-86.12.6179.2-59.7-151.1136.500113.7E771 R782 R1217E771-E773 PolarHBondContact O-N 3.27Å; E771-E773 VanDerWaalsContact O-N 3.17Å; E773-R782 IonicContact OE1-NH1 3.04Å; E773-R782 PolarHBondContact OE1-NH1 3.48Å; E773-R1217 PolarHBondContact O-NH1 3.3Å; E773-R1217 PolarHBondContact O-NH2 3.16Å
774T57.7Low61Low102 Ų10287.6 Ų87.663%0.62650%0.499SS*.SBendtrans-82.9-28.6-174.159.10000115.5E771 A772 R1217E771-T774 WeakPolarHBondContact O-CB 3.33Å; E771-T774 WeakPolarHBondContact O-CG2 3.45Å; E771-T774 PolarHBondContact O-N 3.48Å; E771-T774 VanDerWaalsContact O-N 3.14Å; E771-T774 PolarHBondContact O-OG1 3.38Å; A772-T774 VanDerWaalsContact C-N 3.34Å; T774-R1217 PolarHBondContact O-NH1 3.29Å
775N80.2Confident63.6Low90 Ų9085.6 Ų85.648%0.48148%0.482SS..  trans-91.6141.4-173.7-169.8-30.3000112.3E777 T778 F779N775-E777 PolarHBondContact OD1-N 3.35Å; N775-T778 HydrophobicContact CB-CG2 4.07Å; N775-T778 PolarHBondContact O-OG1 3.47Å; N775-F779 PolarHBondContact O-N 3.26Å
776V86.6Confident66.5Low16 Ų1684.7 Ų84.710%0.09746%0.461CS..Hα-helixtrans-73-33.1178174.20000112.2F779 W780 K1210 W1213 E1214 M1240V776-F779 PolarHBondContact O-N 3.42Å; V776-W780 PolarHBondContact O-N 2.86Å; V776-K1210 HydrophobicContact CG1-CB 4.27Å; V776-K1210 HydrophobicContact CG1-CG 4.39Å; V776-W1213 HydrophobicContact CG1-CB 4.46Å; V776-E1214 HydrophobicContact CB-CG 4.33Å; V776-E1214 HydrophobicContact CG1-CG 4.44Å; V776-E1214 HydrophobicContact CG2-CG 3.55Å; V776-M1240 HydrophobicContact CG1-CE 4.46Å
777E89.2Confident69.6Low75 Ų7579.6 Ų79.635%0.3542%0.424SS..Hα-helixtrans-72.4-34.6177.7-17153.9-139.700111.6N775 F779 W780 Q781 K1210N775-E777 PolarHBondContact OD1-N 3.35Å; E777-F779 VanDerWaalsContact C-N 3.27Å; E777-F779 PolarHBondContact O-N 3.19Å; E777-W780 PolarHBondContact O-N 3.47Å; E777-Q781 WeakPolarHBondContact O-CG 3.4Å; E777-Q781 PolarHBondContact O-N 3.02Å; E777-Q781 PolarHBondContact OE1-NE2 2.98Å; E777-K1210 IonicContact OE2-NZ 2.76Å; E777-K1210 PolarHBondContact OE2-NZ 2.75Å
778T86.5Confident72.5Confident70 Ų7081.1 Ų81.143%0.42942%0.419SS..Hα-helixtrans-66.4-31.5172.461.40000111.8A772 N775 R782A772-T778 PolarHBondContact O-OG1 2.76Å; A772-T778 VanDerWaalsContact O-OG1 3.12Å; N775-T778 HydrophobicContact CB-CG2 4.07Å; N775-T778 PolarHBondContact O-OG1 3.47Å; T778-R782 WeakPolarHBondContact O-CB 3.37Å; T778-R782 PolarHBondContact O-N 2.85Å; T778-R782 VanDerWaalsContact O-N 3.15Å
779F88.1Confident74.8Confident32 Ų3282 Ų8214%0.1441%0.412CS..Hα-helixtrans-71.6-41.3171.5-172.4-99000112.8N775 V776 E777 Q781 R782 C783 W1213 T1237 M1240N775-F779 PolarHBondContact O-N 3.26Å; V776-F779 PolarHBondContact O-N 3.42Å; E777-F779 VanDerWaalsContact C-N 3.27Å; E777-F779 PolarHBondContact O-N 3.19Å; F779-Q781 PolarHBondContact O-N 3.2Å; F779-R782 PolarHBondContact O-N 3.15Å; F779-C783 VanDerWaalsContact CE1-SG 3.54Å; F779-C783 PolarHBondContact O-N 3.03Å; F779-C783 PolarHBondContact O-SG 3.07Å; F779-C783 VanDerWaalsContact O-SG 3.4Å; F779-W1213 AromaticContact CD1-CD1 3.97Å; F779-W1213 AromaticContact CD1-CD2 3.99Å; F779-W1213 HydrophobicContact CD1-CD2 3.99Å; F779-W1213 AromaticContact CD1-CE2 3.38Å; F779-W1213 HydrophobicContact CD1-CG 4.34Å; F779-W1213 HydrophobicContact CD1-CH2 4.39Å; F779-W1213 AromaticContact CD1-CZ2 3.64Å; F779-W1213 HydrophobicContact CD1-CZ2 3.64Å; F779-W1213 AromaticContact CD1-NE1 3.33Å; F779-W1213 VanDerWaalsContact CD1-NE1 3.33Å; F779-W1213 AromaticContact CD2-CZ2 3.65Å; F779-W1213 HydrophobicContact CD2-CZ2 3.65Å; F779-W1213 AromaticContact CE1-CD2 3.93Å; F779-W1213 HydrophobicContact CE1-CD2 3.93Å; F779-W1213 AromaticContact CE1-CE2 3.49Å; F779-W1213 VanDerWaalsContact CE1-CE2 3.49Å; F779-W1213 HydrophobicContact CE1-CE3 4.19Å; F779-W1213 AromaticContact CE1-CH2 3.7Å; F779-W1213 HydrophobicContact CE1-CH2 3.7Å; F779-W1213 AromaticContact CE1-CZ2 3.4Å; F779-W1213 HydrophobicContact CE1-CZ2 3.4Å; F779-W1213 VanDerWaalsContact CE1-CZ2 3.4Å; F779-W1213 HydrophobicContact CE1-CZ3 4.07Å; F779-W1213 AromaticContact CE1-NE1 3.96Å; F779-W1213 AromaticContact CE2-CH2 3.85Å; F779-W1213 HydrophobicContact CE2-CH2 3.85Å; F779-W1213 AromaticContact CE2-CZ2 3.41Å; F779-W1213 HydrophobicContact CE2-CZ2 3.41Å; F779-W1213 VanDerWaalsContact CE2-CZ2 3.41Å; F779-W1213 AromaticContact CG-CE2 3.69Å; F779-W1213 AromaticContact CG-CZ2 3.76Å; F779-W1213 HydrophobicContact CG-CZ2 3.76Å; F779-W1213 AromaticContact CG-NE1 3.43Å; F779-W1213 AromaticContact CZ-CE2 3.9Å; F779-W1213 AromaticContact CZ-CH2 3.38Å; F779-W1213 HydrophobicContact CZ-CH2 3.38Å; F779-W1213 AromaticContact CZ-CZ2 3.28Å; F779-W1213 HydrophobicContact CZ-CZ2 3.28Å; F779-W1213 HydrophobicContact CZ-CZ3 4.1Å; F779-T1237 HydrophobicContact CZ-CG2 3.94Å; F779-M1240 HydrophobicContact CD1-CE 3.75Å; F779-M1240 HydrophobicContact CD1-SD 3.97Å; F779-M1240 HydrophobicContact CE1-CE 4.17Å; F779-M1240 HydrophobicContact CE1-SD 3.76Å
780W90.6Very high77.3Confident7 Ų781 Ų813%0.02740%0.397CS..Hα-helixtrans-56.9-49.7174.4-173.6-102.7000111.1V776 E777 R782 C783 L784 E1206 K1210 M1240 V1243 I1244V776-W780 PolarHBondContact O-N 2.86Å; E777-W780 PolarHBondContact O-N 3.47Å; W780-R782 VanDerWaalsContact C-N 3.33Å; W780-R782 PolarHBondContact O-N 3.36Å; W780-C783 WeakPolarHBondContact O-CB 3.46Å; W780-C783 PolarHBondContact O-N 3.06Å; W780-C783 VanDerWaalsContact O-N 3.12Å; W780-L784 WeakPolarHBondContact O-CB 3.24Å; W780-L784 PolarHBondContact O-N 3.27Å; W780-E1206 HydrophobicContact CH2-CB 4.05Å; W780-E1206 HydrophobicContact CH2-CG 3.63Å; W780-E1206 HydrophobicContact CZ2-CB 4.36Å; W780-E1206 HydrophobicContact CZ2-CG 3.7Å; W780-E1206 WeakPolarHBondContact CZ2-OE1 3.09Å; W780-E1206 HydrophobicContact CZ3-CG 4.35Å; W780-K1210 HydrophobicContact CD2-CD 4.48Å; W780-K1210 HydrophobicContact CD2-CG 4.47Å; W780-K1210 HydrophobicContact CE3-CD 4.38Å; W780-K1210 HydrophobicContact CE3-CG 3.9Å; W780-K1210 VanDerWaalsContact CG-CE 3.49Å; W780-K1210 HydrophobicContact CZ3-CG 4.11Å; W780-M1240 HydrophobicContact CE3-CB 4.32Å; W780-M1240 HydrophobicContact CE3-CE 3.7Å; W780-M1240 HydrophobicContact CE3-CG 4.36Å; W780-M1240 HydrophobicContact CZ3-CB 4.1Å; W780-M1240 HydrophobicContact CZ3-CE 4.28Å; W780-M1240 HydrophobicContact CZ3-CG 4.11Å; W780-V1243 HydrophobicContact CH2-CB 4.3Å; W780-V1243 HydrophobicContact CH2-CG1 3.94Å; W780-I1244 HydrophobicContact CD2-CD1 4Å; W780-I1244 HydrophobicContact CD2-CG1 4.24Å; W780-I1244 HydrophobicContact CE3-CD1 4.25Å; W780-I1244 HydrophobicContact CH2-CD1 4.37Å; W780-I1244 HydrophobicContact CH2-CG1 3.76Å; W780-I1244 HydrophobicContact CZ2-CD1 4.14Å; W780-I1244 HydrophobicContact CZ2-CG1 3.44Å; W780-I1244 VanDerWaalsContact CZ2-CG1 3.44Å; W780-I1244 HydrophobicContact CZ3-CD1 4.43Å; W780-I1244 HydrophobicContact CZ3-CG1 4.29Å
781Q91.4Very high79.7Confident85 Ų8580.9 Ų80.940%0.39739%0.394SS..Hα-helixtrans-64-34.4177.3-62.7-58.3-27.500112.7E777 F779 C783 L784 D785E777-Q781 WeakPolarHBondContact O-CG 3.4Å; E777-Q781 PolarHBondContact O-N 3.02Å; E777-Q781 PolarHBondContact OE1-NE2 2.98Å; F779-Q781 PolarHBondContact O-N 3.2Å; Q781-C783 VanDerWaalsContact C-N 3.35Å; Q781-C783 PolarHBondContact O-N 3.03Å; Q781-L784 PolarHBondContact O-N 3.3Å; Q781-D785 PolarHBondContact O-N 3.08Å
782R90.2Very high82.1Confident147 Ų14773.9 Ų73.956%0.55536%0.361SS*.Hα-helixtrans-66.2-34.1173.3-171.2176-176.5177.9-0.8112.7E773 T778 F779 W780 K786E773-R782 IonicContact OE1-NH1 3.04Å; E773-R782 PolarHBondContact OE1-NH1 3.48Å; T778-R782 WeakPolarHBondContact O-CB 3.37Å; T778-R782 PolarHBondContact O-N 2.85Å; T778-R782 VanDerWaalsContact O-N 3.15Å; F779-R782 PolarHBondContact O-N 3.15Å; W780-R782 VanDerWaalsContact C-N 3.33Å; W780-R782 PolarHBondContact O-N 3.36Å; R782-K786 PolarHBondContact O-N 2.89Å
783C90.9Very high84.3Confident1 Ų177.3 Ų77.31%0.00736%0.357CS..Hα-helixtrans-71.3-41.3171.5-65.50000111.1F779 W780 Q781 D785 K786 V787 E1241 I1244F779-C783 VanDerWaalsContact CE1-SG 3.54Å; F779-C783 PolarHBondContact O-N 3.03Å; F779-C783 PolarHBondContact O-SG 3.07Å; F779-C783 VanDerWaalsContact O-SG 3.4Å; W780-C783 WeakPolarHBondContact O-CB 3.46Å; W780-C783 PolarHBondContact O-N 3.06Å; W780-C783 VanDerWaalsContact O-N 3.12Å; Q781-C783 VanDerWaalsContact C-N 3.35Å; Q781-C783 PolarHBondContact O-N 3.03Å; C783-D785 PolarHBondContact O-N 3.17Å; C783-K786 WeakPolarHBondContact O-CB 3.45Å; C783-K786 PolarHBondContact O-N 2.95Å; C783-K786 VanDerWaalsContact O-N 3.11Å; C783-V787 VanDerWaalsContact O-CG2 3.31Å; C783-V787 WeakPolarHBondContact O-CG2 3.2Å; C783-V787 PolarHBondContact O-N 3.12Å; C783-E1241 HydrophobicContact CB-CG 3.83Å; C783-I1244 HydrophobicContact CB-CD1 3.71Å
784L91.3Very high86.2Confident29 Ų2971.9 Ų71.915%0.15233%0.332CS..Hα-helixtrans-62-40.7179.1-175145.5000112.4W780 Q781 K786 V787 K788 I1244W780-L784 WeakPolarHBondContact O-CB 3.24Å; W780-L784 PolarHBondContact O-N 3.27Å; Q781-L784 PolarHBondContact O-N 3.3Å; L784-K786 PolarHBondContact O-N 3.46Å; L784-V787 PolarHBondContact O-N 3Å; L784-K788 HydrophobicContact CD2-CD 3.86Å; L784-K788 HydrophobicContact CD2-CG 4.48Å; L784-K788 WeakPolarHBondContact O-CB 3.49Å; L784-K788 WeakPolarHBondContact O-CG 3.49Å; L784-K788 PolarHBondContact O-N 3.29Å; L784-I1244 HydrophobicContact CB-CD1 4.05Å; L784-I1244 HydrophobicContact CB-CG2 4.13Å; L784-I1244 HydrophobicContact CD1-CG2 4.13Å; L784-I1244 HydrophobicContact CG-CG2 3.99Å
785D89.3Confident87.6Confident67 Ų6772 Ų7236%0.35832%0.324SS..Hα-helixtrans-69.9-25.7174.3-105.923.2000114.3Q781 C783 K788 R789Q781-D785 PolarHBondContact O-N 3.08Å; C783-D785 PolarHBondContact O-N 3.17Å; D785-K788 IonicContact OD1-NZ 2.76Å; D785-R789 WeakPolarHBondContact O-CD 3.47Å; D785-R789 WeakPolarHBondContact O-CG 3.38Å; D785-R789 PolarHBondContact O-NE 2.81Å; D785-R789 IonicContact OD2-NH2 3.87Å; D785-R789 PolarHBondContact OD2-NH2 2.88Å
786K90.2Very high87.9Confident79 Ų7975.4 Ų75.434%0.34334%0.342SS..Hα-helixtrans-70.3-50.2167.4-74.6171.2170.5172.80110.8R782 C783 L784 K788 R789 E1241R782-K786 PolarHBondContact O-N 2.89Å; C783-K786 WeakPolarHBondContact O-CB 3.45Å; C783-K786 PolarHBondContact O-N 2.95Å; C783-K786 VanDerWaalsContact O-N 3.11Å; L784-K786 PolarHBondContact O-N 3.46Å; K786-K788 PolarHBondContact O-N 3.06Å; K786-R789 PolarHBondContact O-N 2.76Å; K786-E1241 WeakPolarHBondContact CD-OE1 3.48Å; K786-E1241 WeakPolarHBondContact CE-OE1 3.27Å; K786-E1241 IonicContact NZ-OE1 3.47Å; K786-E1241 PolarHBondContact NZ-OE1 2.92Å
787V90.2Very high88Confident9 Ų976.8 Ų76.86%0.05535%0.348CS..Hα-helixtrans-63.6-43-173.3174.60000110.8C783 L784 R789 R790 E1241 I1244 C1245 M1248C783-V787 VanDerWaalsContact O-CG2 3.31Å; C783-V787 WeakPolarHBondContact O-CG2 3.2Å; C783-V787 PolarHBondContact O-N 3.12Å; L784-V787 PolarHBondContact O-N 3Å; V787-R789 PolarHBondContact O-N 2.87Å; V787-R790 PolarHBondContact O-N 2.86Å; V787-E1241 HydrophobicContact CG2-CB 3.81Å; V787-E1241 HydrophobicContact CG2-CG 4.04Å; V787-E1241 VanDerWaalsContact CG2-O 3.25Å; V787-E1241 WeakPolarHBondContact CG2-O 3.4Å; V787-I1244 HydrophobicContact CB-CG2 4.26Å; V787-I1244 HydrophobicContact CG1-CG2 4.23Å; V787-I1244 HydrophobicContact CG2-CB 4.46Å; V787-C1245 HydrophobicContact CG1-CB 4.06Å; V787-M1248 HydrophobicContact CG1-SD 3.88Å
788K87.2Confident88.1Confident125 Ų12575.8 Ų75.854%0.54335%0.345SS..THydrogen-bonded Turntrans-52.3-23.6172.3-80.9174.7174.6167.10114.9L784 D785 K786 M1248L784-K788 HydrophobicContact CD2-CD 3.86Å; L784-K788 HydrophobicContact CD2-CG 4.48Å; L784-K788 WeakPolarHBondContact O-CB 3.49Å; L784-K788 WeakPolarHBondContact O-CG 3.49Å; L784-K788 PolarHBondContact O-N 3.29Å; D785-K788 IonicContact OD1-NZ 2.76Å; K786-K788 PolarHBondContact O-N 3.06Å; K788-M1248 HydrophobicContact CG-CE 4.35Å; K788-M1248 HydrophobicContact CG-SD 4.38Å
789R83.5Confident88.4Confident191 Ų19172.4 Ų72.472%0.72133%0.325SS*.THydrogen-bonded Turntrans-103.67.1-176.6-61176.8-167.5152.115.7113.3D785 K786 V787D785-R789 WeakPolarHBondContact O-CD 3.47Å; D785-R789 WeakPolarHBondContact O-CG 3.38Å; D785-R789 PolarHBondContact O-NE 2.81Å; D785-R789 IonicContact OD2-NH2 3.87Å; D785-R789 PolarHBondContact OD2-NH2 2.88Å; K786-R789 PolarHBondContact O-N 2.76Å; V787-R789 PolarHBondContact O-N 2.87Å
790R84.1Confident88.4Confident139 Ų13974.1 Ų74.153%0.52534%0.338SS..SBendtrans-116.6156.2179.1-72.7-176.6-178160.65.3111.3V787 E1241V787-R790 PolarHBondContact O-N 2.86Å; R790-E1241 IonicContact CZ-OE2 2.94Å; R790-E1241 IonicContact NH1-OE2 2.61Å; R790-E1241 PolarHBondContact NH1-OE2 3.36Å; R790-E1241 IonicContact NH2-OE2 3.75Å
791P82.3Confident88.2Confident81 Ų8176.7 Ų76.753%0.52635%0.352SS..  trans-59.7140.616626.7-34.6000110.4R793 T800P791-R793 PolarHBondContact O-N 3.38Å; P791-T800 HydrophobicContact CB-CG2 3.7Å; P791-T800 WeakPolarHBondContact CB-OG1 3.39Å
792L87.6Confident87.9Confident7 Ų772.9 Ų72.94%0.03734%0.335CS..  trans-74.989.5178.2-66.8178.9000109.7F799 T800 L802 M1248 V1249L792-F799 HydrophobicContact CB-CB 3.98Å; L792-F799 CarbonylContact O-C 3.5Å; L792-F799 VanDerWaalsContact O-CA 3.32Å; L792-F799 WeakPolarHBondContact O-CA 3.41Å; L792-F799 WeakPolarHBondContact O-CB 3.46Å; L792-F799 PolarHBondContact O-N 3.44Å; L792-T800 PolarHBondContact O-N 3.5Å; L792-L802 HydrophobicContact CD1-CB 4.49Å; L792-M1248 HydrophobicContact CD2-CB 4.08Å; L792-M1248 HydrophobicContact CD2-CE 4.19Å; L792-M1248 HydrophobicContact CD2-SD 4.35Å; L792-V1249 HydrophobicContact CB-CG2 4.33Å; L792-V1249 HydrophobicContact CD1-CG2 4.21Å
793R85.9Confident87Confident153 Ų15374 Ų7458%0.57735%0.346SS*.EExtended strand (participates in β ladder)trans-125.9133.9175.1-72.1-177.2166.2-170.5-7.9110.3P791 L797 D798P791-R793 PolarHBondContact O-N 3.38Å; R793-L797 WeakPolarHBondContact CA-O 3.42Å; R793-D798 HydrophobicContact CG-CB 4.39Å; R793-D798 WeakPolarHBondContact CG-OD1 3.26Å; R793-D798 IonicContact CZ-OD2 3.57Å; R793-D798 VanDerWaalsContact NE-CG 3.32Å; R793-D798 IonicContact NE-OD1 2.97Å; R793-D798 IonicContact NE-OD2 3.2Å; R793-D798 PolarHBondContact NE-OD2 3.3Å; R793-D798 IonicContact NH2-OD2 3.43Å; R793-D798 PolarHBondContact NH2-OD2 2.92Å
794L87.4Confident85.8Confident4 Ų477 Ų772%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-122.894.4-179.8-141.787.3000108.4D796 L797 F799 E1097 A1101 R1242 C1245 L1246L794-D796 PolarHBondContact O-N 3.45Å; L794-D796 VanDerWaalsContact O-N 3.09Å; L794-L797 PolarHBondContact N-O 2.85Å; L794-L797 WeakPolarHBondContact O-CB 3.47Å; L794-L797 PolarHBondContact O-N 2.92Å; L794-F799 HydrophobicContact CB-CE2 4.38Å; L794-E1097 HydrophobicContact CD2-CG 3.94Å; L794-A1101 HydrophobicContact CD2-CB 3.62Å; L794-R1242 HydrophobicContact CD1-CB 4.09Å; L794-R1242 HydrophobicContact CD1-CG 4.22Å; L794-C1245 HydrophobicContact CD1-CB 3.75Å; L794-L1246 HydrophobicContact CD1-CG 4.23Å; L794-L1246 HydrophobicContact CD2-CD1 4.2Å; L794-L1246 HydrophobicContact CD2-CD2 3.55Å; L794-L1246 HydrophobicContact CD2-CG 3.72Å
795K86Confident84.1Confident105 Ų10579.1 Ų79.146%0.45738%0.38SS..THydrogen-bonded Turntrans52.3-113-167.6-65164.5167.11680110.3E1094 E1097K795-E1094 WeakPolarHBondContact CE-OE1 3.2Å; K795-E1094 IonicContact NZ-OE1 2.85Å; K795-E1094 PolarHBondContact NZ-OE1 3.5Å; K795-E1097 WeakPolarHBondContact CE-OE2 3.46Å; K795-E1097 IonicContact NZ-OE1 2.78Å; K795-E1097 IonicContact NZ-OE2 3.11Å; K795-E1097 PolarHBondContact NZ-OE2 3.27Å
796D86.5Confident81.7Confident162 Ų16284.9 Ų84.987%0.86641%0.405SS*.THydrogen-bonded Turntrans-86.7-10.8-178-46.1-59.7000113.2L794L794-D796 PolarHBondContact O-N 3.45Å; L794-D796 VanDerWaalsContact O-N 3.09Å
797L90Very high79.2Confident44 Ų4488.3 Ų88.323%0.2342%0.422CS..EExtended strand (participates in β ladder)trans-87.9120.3-178.4-57.6176.3000110.6R793 L794 F799 A1101 N1105R793-L797 WeakPolarHBondContact CA-O 3.42Å; L794-L797 PolarHBondContact N-O 2.85Å; L794-L797 WeakPolarHBondContact O-CB 3.47Å; L794-L797 PolarHBondContact O-N 2.92Å; L797-F799 HydrophobicContact CB-CD2 4.39Å; L797-F799 HydrophobicContact CB-CE2 3.7Å; L797-F799 HydrophobicContact CB-CZ 4.3Å; L797-F799 HydrophobicContact CD1-CE2 4.44Å; L797-A1101 HydrophobicContact CD1-CB 3.77Å; L797-N1105 HydrophobicContact CD1-CB 4.33Å; L797-N1105 HydrophobicContact CD2-CB 4.12Å
798D90.4Very high76.6Confident54 Ų5496.8 Ų96.829%0.28946%0.462SS..EExtended strand (participates in β ladder)trans-100.3124.9178.2-160-16.2000111.5R793 T800 K1108R793-D798 HydrophobicContact CG-CB 4.39Å; R793-D798 WeakPolarHBondContact CG-OD1 3.26Å; R793-D798 IonicContact CZ-OD2 3.57Å; R793-D798 VanDerWaalsContact NE-CG 3.32Å; R793-D798 IonicContact NE-OD1 2.97Å; R793-D798 IonicContact NE-OD2 3.2Å; R793-D798 PolarHBondContact NE-OD2 3.3Å; R793-D798 IonicContact NH2-OD2 3.43Å; R793-D798 PolarHBondContact NH2-OD2 2.92Å; D798-T800 WeakPolarHBondContact OD1-CB 3.36Å; D798-T800 PolarHBondContact OD1-N 3.15Å; D798-T800 PolarHBondContact OD1-OG1 3.32Å; D798-K1108 PolarHBondContact O-NZ 3.43Å
799F92.9Very high73.8Confident0 Ų097.1 Ų97.10%047%0.469CS..  trans-123.216.9176-60.5-83.5000111.8L792 L794 L797 D801 L802 L1104 N1105 K1108 V1249L792-F799 HydrophobicContact CB-CB 3.98Å; L792-F799 CarbonylContact O-C 3.5Å; L792-F799 VanDerWaalsContact O-CA 3.32Å; L792-F799 WeakPolarHBondContact O-CA 3.41Å; L792-F799 WeakPolarHBondContact O-CB 3.46Å; L792-F799 PolarHBondContact O-N 3.44Å; L794-F799 HydrophobicContact CB-CE2 4.38Å; L797-F799 HydrophobicContact CB-CD2 4.39Å; L797-F799 HydrophobicContact CB-CE2 3.7Å; L797-F799 HydrophobicContact CB-CZ 4.3Å; L797-F799 HydrophobicContact CD1-CE2 4.44Å; F799-D801 PolarHBondContact O-N 3.44Å; F799-D801 VanDerWaalsContact O-N 3.17Å; F799-L802 HydrophobicContact CB-CD1 4.05Å; F799-L802 HydrophobicContact CB-CG 4.38Å; F799-L802 HydrophobicContact CD1-CD1 4.04Å; F799-L802 HydrophobicContact CG-CD1 4.48Å; F799-L802 VanDerWaalsContact O-CB 3.32Å; F799-L802 WeakPolarHBondContact O-CB 3.13Å; F799-L802 PolarHBondContact O-N 3.16Å; F799-L1104 HydrophobicContact CE1-CB 4.33Å; F799-L1104 HydrophobicContact CZ-CB 4.33Å; F799-N1105 HydrophobicContact CE1-CB 4.13Å; F799-N1105 HydrophobicContact CZ-CB 3.87Å; F799-K1108 HydrophobicContact CD1-CD 4.12Å; F799-V1249 HydrophobicContact CB-CG1 4.4Å; F799-V1249 HydrophobicContact CB-CG2 3.73Å; F799-V1249 HydrophobicContact CD1-CG1 3.47Å; F799-V1249 VanDerWaalsContact CD1-CG1 3.47Å; F799-V1249 HydrophobicContact CD1-CG2 4.31Å; F799-V1249 HydrophobicContact CD2-CG1 4.08Å; F799-V1249 HydrophobicContact CD2-CG2 3.84Å; F799-V1249 HydrophobicContact CE1-CG1 3.54Å; F799-V1249 HydrophobicContact CE2-CG1 4.15Å; F799-V1249 HydrophobicContact CE2-CG2 4.49Å; F799-V1249 HydrophobicContact CG-CB 4.44Å; F799-V1249 HydrophobicContact CG-CG1 3.74Å; F799-V1249 HydrophobicContact CG-CG2 3.72Å; F799-V1249 HydrophobicContact CZ-CG1 3.88Å
800T88.4Confident71.2Confident67 Ų6790.8 Ų90.841%0.41146%0.463SS..THydrogen-bonded Turntrans-65.1-18.4-175.7-50.90000113.3P791 L792 D798 L802P791-T800 HydrophobicContact CB-CG2 3.7Å; P791-T800 WeakPolarHBondContact CB-OG1 3.39Å; L792-T800 PolarHBondContact O-N 3.5Å; D798-T800 WeakPolarHBondContact OD1-CB 3.36Å; D798-T800 PolarHBondContact OD1-N 3.15Å; D798-T800 PolarHBondContact OD1-OG1 3.32Å; T800-L802 VanDerWaalsContact C-N 3.3Å
801D87.3Confident68.8Low62 Ų6293.3 Ų93.333%0.33248%0.478SS..THydrogen-bonded Turntrans-80-3.8171.968.9-49.6000114.1F799 E803 K1108 R1256F799-D801 PolarHBondContact O-N 3.44Å; F799-D801 VanDerWaalsContact O-N 3.17Å; D801-E803 PolarHBondContact O-N 2.59Å; D801-K1108 VanDerWaalsContact CG-NZ 3.32Å; D801-K1108 VanDerWaalsContact OD1-CE 3.32Å; D801-K1108 WeakPolarHBondContact OD1-CE 3.32Å; D801-K1108 IonicContact OD1-NZ 2.76Å; D801-K1108 PolarHBondContact OD1-NZ 3.14Å; D801-K1108 VanDerWaalsContact OD2-CE 3.26Å; D801-K1108 WeakPolarHBondContact OD2-CE 3.24Å; D801-K1108 IonicContact OD2-NZ 2.72Å; D801-K1108 PolarHBondContact OD2-NZ 3.43Å; D801-R1256 IonicContact OD2-CZ 2.66Å; D801-R1256 IonicContact OD2-NH1 2.69Å; D801-R1256 PolarHBondContact OD2-NH1 2.83Å; D801-R1256 IonicContact OD2-NH2 3.33Å
802L83.9Confident66.2Low4 Ų498.8 Ų98.82%0.02150%0.497CS..SBendtrans-79.997.3165.5-64.1-177.3000108.4L792 F799 T800 V1249 R1252 M1253L792-L802 HydrophobicContact CD1-CB 4.49Å; F799-L802 HydrophobicContact CB-CD1 4.05Å; F799-L802 HydrophobicContact CB-CG 4.38Å; F799-L802 HydrophobicContact CD1-CD1 4.04Å; F799-L802 HydrophobicContact CG-CD1 4.48Å; F799-L802 VanDerWaalsContact O-CB 3.32Å; F799-L802 WeakPolarHBondContact O-CB 3.13Å; F799-L802 PolarHBondContact O-N 3.16Å; T800-L802 VanDerWaalsContact C-N 3.3Å; L802-V1249 HydrophobicContact CD1-CB 4.48Å; L802-V1249 HydrophobicContact CD1-CG1 4.02Å; L802-R1252 HydrophobicContact CB-CB 3.91Å; L802-R1252 HydrophobicContact CD1-CB 4.02Å; L802-R1252 HydrophobicContact CG-CB 4.41Å; L802-R1252 PolarHBondContact O-NH1 3.22Å; L802-M1253 HydrophobicContact CD1-CB 4.29Å; L802-M1253 HydrophobicContact CD2-SD 3.86Å
803E72.2Confident63.4Low170 Ų170103.4 Ų103.479%0.79453%0.529SS*.  trans-55.9158.5177.1-63.5-173.8165.500112.3D801 E805 R1252D801-E803 PolarHBondContact O-N 2.59Å; E803-E805 PolarHBondContact O-N 2.8Å; E803-R1252 WeakPolarHBondContact O-CD 3.22Å; E803-R1252 PolarHBondContact O-NE 3.46Å; E803-R1252 PolarHBondContact O-NH1 2.96Å
804A64.5Low60.8Low66 Ų66101.5 Ų101.555%0.54554%0.537SS..  trans-74.4124171.100000108.8E806A804-E806 PolarHBondContact O-N 3.05Å
805E55.7Low58Low72 Ų72113 Ų11334%0.33658%0.58SS.*  trans-55.4113.4162.5-72.9-178.7139.400107.8E803 Q807 R1251 A1255 R1258E803-E805 PolarHBondContact O-N 2.8Å; E805-Q807 PolarHBondContact O-N 3.25Å; E805-R1251 IonicContact OE2-CZ 3.84Å; E805-R1251 IonicContact OE2-NE 3.98Å; E805-R1251 PolarHBondContact OE2-NE 3.13Å; E805-R1251 IonicContact OE2-NH2 3.45Å; E805-R1251 PolarHBondContact OE2-NH2 3.17Å; E805-A1255 HydrophobicContact CG-CB 4.33Å; E805-A1255 WeakPolarHBondContact OE1-CB 3.49Å; E805-R1258 IonicContact OE1-NH2 3.74Å; E805-R1258 PolarHBondContact OE1-NH2 3.43Å
806E40.4Very low55.3Low188 Ų188113.1 Ų113.188%0.87960%0.595SS**  trans-58.1127.5155.4-67-162.9153.400106.6A804 E808A804-E806 PolarHBondContact O-N 3.05Å; E806-E808 PolarHBondContact O-N 2.85Å; E806-E808 VanDerWaalsContact O-N 3.16Å
807Q37.3Very low52.6Low151 Ų151114 Ų11471%0.70660%0.598SS**  trans-65118.5-168.9-177.5168.8-25.400109.4E805 D809E805-Q807 PolarHBondContact O-N 3.25Å; Q807-D809 HydrophobicContact CG-CB 4.38Å; Q807-D809 WeakPolarHBondContact CG-OD2 3.23Å; Q807-D809 PolarHBondContact NE2-OD2 3.2Å; Q807-D809 PolarHBondContact O-N 3.39Å
808E35.4Very low50Low188 Ų188115.4 Ų115.488%0.87962%0.624SS**  trans-72.939.9-175.5-155.9179.6-17700113.2E806 G810E806-E808 PolarHBondContact O-N 2.85Å; E806-E808 VanDerWaalsContact O-N 3.16Å; E808-G810 PolarHBondContact O-N 3.4Å
809D28.7Very low47.5Very low131 Ų131119.5 Ų119.570%0.70165%0.653SS**  trans-81.467.4169.6-89.2-59.9000110.4Q807Q807-D809 HydrophobicContact CG-CB 4.38Å; Q807-D809 WeakPolarHBondContact CG-OD2 3.23Å; Q807-D809 PolarHBondContact NE2-OD2 3.2Å; Q807-D809 PolarHBondContact O-N 3.39Å
810G29.1Very low44.5Very low58 Ų58123 Ų12360%0.59869%0.689SS**  trans89.8107.2156.700000117.3E808E808-G810 PolarHBondContact O-N 3.4Å
811K31.9Very low42Very low193 Ų193128 Ų12884%0.83971%0.712SS**  -174.9119.2100-96.4157.1-174.5171.80112.8S813K811-S813 PolarHBondContact O-N 2.7Å
812E28.1Very low39.6Very low196 Ų196130.3 Ų130.392%0.91673%0.73SS**  trans-60.4119.9143.4-66.8-171.6137.900107.9P814E812-P814 WeakPolarHBondContact O-CD 3.46Å
813S29Very low37.3Very low103 Ų103135.8 Ų135.872%0.7277%0.766SS**  trans-113.494.3-176.3-171.50000110.7K811K811-S813 PolarHBondContact O-N 2.7Å
814P32.1Very low35.7Very low114 Ų114133.3 Ų133.374%0.7477%0.765SS**  trans-66.2135.9164.129-32.9000109.2E812 S816E812-P814 WeakPolarHBondContact O-CD 3.46Å; P814-S816 PolarHBondContact O-N 3.18Å
815R27.9Very low34.7Very low244 Ų244135.6 Ų135.692%0.92177%0.774SS**  trans-63.7120.9-175.4-61.7170.7175.8170.6-3.2111.6
816S30.2Very low33.9Very low109 Ų109137.9 Ų137.976%0.76280%0.795SS**  163.6141.7116.551.60000115.6P814P814-S816 PolarHBondContact O-N 3.18Å
817L29.9Very low34.2Very low180 Ų180134.8 Ų134.894%0.94279%0.791SS**  trans27.5122.2144.2-59.7169000121.1
818G35.4Very low34.5Very low74 Ų74133.5 Ų133.576%0.76380%0.796SS**  trans139.5109.6151.300000115.6
819P37.8Very low34.5Very low139 Ų139135.2 Ų135.290%0.90380%0.801SS**  trans-95.7122.7176.134.1-29.4000112.7
820G30.3Very low35Very low73 Ų73132.5 Ų132.575%0.75380%0.804SS**  trans155.197.3162.300000116.7
821L34.4Very low35Very low173 Ų173134.1 Ų134.191%0.90682%0.821SS**  trans171.7143.7132-91.5165.4000109.6
822P36.8Very low35.1Very low110 Ų110128.5 Ų128.571%0.71482%0.818SS**PPolyproline II helixtrans-83.8158.2179.734.4-34.5000112.8
823P37.1Very low35.7Very low120 Ų120127.3 Ų127.378%0.77982%0.817SS**PPolyproline II helixtrans-76.6150.6-176.831.4-36000113.6
824P38.5Very low36.6Very low117 Ų117127.9 Ų127.976%0.7682%0.818SS**PPolyproline II helixtrans-78.8157.6176.433-35.5000113.3
825P43.1Very low37.4Very low114 Ų114128.1 Ų128.174%0.7482%0.819SS**PPolyproline II helixtrans-79.6161.1-178.833.3-36.6000113.8
826P38.4Very low38.5Very low120 Ų120122 Ų12278%0.77981%0.811SS**PPolyproline II helixtrans-76149.5-178.631.4-36.1000113.5
827P46.4Very low39.2Very low123 Ų123122.6 Ų122.680%0.79981%0.813SS**PPolyproline II helixtrans-76.8152175.832.1-35.1000112.8
828P43Very low40.5Very low125 Ų125119.5 Ų119.581%0.81280%0.804SS**PPolyproline II helixtrans-85.1164.9-175.234.8-36.8000114.3
829F37.2Very low41.1Very low223 Ų223121.6 Ų121.698%0.97880%0.804SS**PPolyproline II helixtrans-60.7134.6176.4-81.5-104.2000113.4
830G37.7Very low41.2Very low74 Ų74121.5 Ų121.576%0.76380%0.803SS**  trans-143.3132164.200000109.4
831G30.5Very low41.6Very low92 Ų92121.8 Ų121.895%0.94881%0.806SS**  trans-80.8140.6-16800000114.9
832G33.9Very low41.7Very low75 Ų75117.9 Ų117.977%0.77381%0.808SS**  trans-151.1143169.400000110.2
833L40.5Very low41.7Very low172 Ų172116.6 Ų116.690%0.90182%0.815SS**PPolyproline II helixtrans-76.5144.1-175.9-68.2164.9000111.7
834P47Very low41.6Very low114 Ų114115.3 Ų115.374%0.7482%0.823SS**PPolyproline II helixtrans-70.3141.8170.430.2-34000111
835P48.7Very low41.4Very low119 Ų119113.1 Ų113.177%0.77382%0.821SS**PPolyproline II helixtrans-75.5155.7179.531-35.3000112.9
836P52.2Low41.2Very low115 Ų115116.2 Ų116.275%0.74783%0.831SS**PPolyproline II helixtrans-74.1160.5179.231.7-36.3000113.2
837P44.3Very low41.2Very low122 Ų122115.8 Ų115.879%0.79283%0.828SS**PPolyproline II helixtrans-71.5146.4-177.129.4-35.9000113.3
838P56.8Low40.8Very low116 Ų116115.7 Ų115.775%0.75383%0.827SS**PPolyproline II helixtrans-78.6152.2179.732.1-35.4000113.2
839P47.5Very low40.9Very low118 Ų118115.5 Ų115.577%0.76683%0.826SS**PPolyproline II helixtrans-79.4154.7178.133.3-35.7000112.9
840P41.7Very low41.1Very low136 Ų136110.2 Ų110.288%0.88381%0.814SS**PPolyproline II helixtrans-82137.9-178.632.4-34.6000113.1
841G38.3Very low41.5Very low80 Ų80112.6 Ų112.683%0.82582%0.816SS**  trans-163.4103177.800000115.5
842G36.1Very low42Very low91 Ų91114 Ų11494%0.93881%0.809SS**  trans32.3113.3153.900000122.2
843G37.6Very low42.4Very low83 Ų83116 Ų11686%0.85681%0.808SS**  trans-169.1120.2160.100000110.6
844G33.8Very low42.9Very low92 Ų92113.9 Ų113.995%0.94880%0.804SS**  trans-89.2140.8-164.900000116
845G35.6Very low42.6Very low71 Ų71114.9 Ų114.973%0.73281%0.809SS**  trans-155.2138166.800000109.5
846L37.5Very low42.1Very low180 Ų180113.2 Ų113.294%0.94281%0.805SS**PPolyproline II helixtrans-94.5132.5-161.2-66.1167.5000114.5
847P38.5Very low41.3Very low110 Ų110116.2 Ų116.271%0.71481%0.814SS**PPolyproline II helixtrans-94.5160.5154.636.2-31000111.9
848P38.4Very low40.8Very low122 Ų122113.8 Ų113.879%0.79281%0.811SS**PPolyproline II helixtrans-75154.7-176.930.1-35.5000114.2
849P44.3Very low39.9Very low121 Ų121113.2 Ų113.279%0.78682%0.816SS**PPolyproline II helixtrans-95.6145.1-165.935.7-35.8000115.7
850P41.6Very low39.5Very low112 Ų112113.6 Ų113.673%0.72782%0.818SS**PPolyproline II helixtrans-88.9156.5159.935.7-32.7000112.2
851P46.7Very low39.8Very low124 Ų124112.6 Ų112.681%0.80581%0.812SS**PPolyproline II helixtrans-76.9149-179.330.5-35000113.6
852P40.5Very low39.7Very low122 Ų122114.7 Ų114.779%0.79281%0.811SS**PPolyproline II helixtrans-98.6151.9-165.937.1-36.7000115.9
853P42.9Very low40Very low116 Ų116116 Ų11675%0.75380%0.803SS**PPolyproline II helixtrans-99.4148.8162.336.8-30.8000112.6
854P50.3Low40.4Very low127 Ų127117.5 Ų117.583%0.82580%0.797SS**PPolyproline II helixtrans-82.9128.8177.331.1-33.1000114.2
855T40.5Very low40.5Very low136 Ų136119.3 Ų119.383%0.83479%0.793SS**PPolyproline II helixtrans-53165.2157.547.20000113.6
856A38.6Very low40.4Very low84 Ų84120.4 Ų120.469%0.69480%0.795SS**  cis-173.5-164.8-18.500000105.9
857L35.4Very low40.5Very low177 Ų177118.2 Ų118.293%0.92779%0.792SS**  cis-147.3-166.212.8-73.5165.8000108.1
858G35.5Very low40.2Very low71 Ų71116.9 Ų116.973%0.73280%0.797SS**  trans128.332.5137.100000123.5
859A37.8Very low39.9Very low104 Ų104115.7 Ų115.786%0.8680%0.798SS**  trans60161154.900000121.4
860P38.1Very low39.2Very low126 Ų126114.6 Ų114.682%0.81879%0.793SS**  trans-128.5-151.4-159.441-19.1000114.9
861P47.3Very low38.6Very low115 Ų115117.5 Ų117.575%0.74780%0.797SS**  -119.7177.7-103.240.4-22.4000115.2
862P37.3Very low37.8Very low124 Ų124116.4 Ų116.481%0.80579%0.792SS**  -150175.7102.936.7-17.7000116.2
863P41.3Very low37.4Very low119 Ų119116.9 Ų116.977%0.77380%0.799SS**  trans-110.4-162.8-176.241.2-30.7000113.8
864P46.1Very low36.9Very low114 Ų114116.2 Ų116.274%0.7480%0.803SS**  -120.3-169.8-68.640.8-26.3000111.8
865P36.1Very low36.1Very low130 Ų130117.3 Ų117.384%0.84480%0.8SS**  trans-140.6166.4139.439.4-27.6000115.6
866A34.2Very low35.8Very low95 Ų95116.1 Ų116.179%0.78580%0.795SS**  trans-155.7178.3170.500000108.3
867P39.2Very low35.4Very low134 Ų134117 Ų11787%0.8780%0.796SS**  cis-121.5-176.6-25.338.7-24.4000112
868G32.7Very low35.3Very low81 Ų81115.9 Ų115.984%0.83579%0.79SS**  trans-162.8143.4169.400000113.6
869A31.2Very low35.2Very low97 Ų97119.8 Ų119.880%0.80279%0.794SS**  trans-104175.4174.400000109.8
870S30.1Very low35.1Very low98 Ų98120.2 Ų120.269%0.68579%0.788SS**  cis-154.2173.118.5-46.50000112.6
871E29.6Very low35Very low174 Ų174119.4 Ų119.481%0.81378%0.783SS**  trans77.5114146.1-77.9172-127.800123.1
872S29Very low34.4Very low100 Ų100118.2 Ų118.270%0.69978%0.782SS**  78.594.9122.1-57.20000121.7
873S32.7Very low34.2Very low133 Ų133118.9 Ų118.993%0.9379%0.787SS**  -167.3166.7123.7-88.10000113.6
874A33.1Very low34Very low101 Ų101116.7 Ų116.784%0.83579%0.786SS**  trans-82.5164.5-15400000118.3
875I32Very low33.4Very low151 Ų151117.1 Ų117.177%0.77479%0.786SS**  trans-83158.5171.6-29167.5000107.2
876P35.1Very low33.1Very low111 Ų111119.8 Ų119.872%0.72179%0.788SS**  -146.3144.368.136-15.2000117.7
877S29.5Very low33.4Very low102 Ų102120.6 Ų120.671%0.71378%0.778SS**  trans-65.7136.3151.450.30000111.3
878N34.5Very low33.7Very low153 Ų153119.8 Ų119.882%0.81877%0.773SS**  trans-142.8121.6164.7-101.7-27.4000111.7
879L32.7Very low34Very low153 Ų153125.5 Ų125.580%0.80178%0.775SS**  trans-129.6130.3155.1-91.7167.8000105.1
880P35.9Very low34.8Very low114 Ų114123 Ų12374%0.7475%0.751SS**PPolyproline II helixtrans-70.1146.1-173.328.5-34.7000111.5
881P36Very low36Very low109 Ų109128.5 Ų128.571%0.70876%0.763SS**PPolyproline II helixtrans-68.8163.4168.931.8-35.1000111.1
882A34.5Very low37.3Very low89 Ų89125.8 Ų125.874%0.73675%0.748SS**PPolyproline II helixtrans-69.2149.2172.400000111.1G884A882-G884 PolarHBondContact O-N 3.3Å
883P33.9Very low38.8Very low138 Ų138123.7 Ų123.790%0.89673%0.732SS**THydrogen-bonded Turntrans-70.8129179-11.527.1000110.7
884G35.8Very low40.2Very low73 Ų73121.9 Ų121.975%0.75371%0.71SS**THydrogen-bonded Turntrans143-7165.900000118.2A882A882-G884 PolarHBondContact O-N 3.3Å
885T33.4Very low41.7Very low123 Ų123127.3 Ų127.376%0.75571%0.709SS**  trans-154.682178.9-14.40000114.2L887T885-L887 HydrophobicContact CG2-CD1 4.43Å
886E30.7Very low43.1Very low187 Ų187125.2 Ų125.287%0.87470%0.699SS**  trans-98.792.5154.1-69.6-152.4165.300109.5
887L40.8Very low44.4Very low111 Ų111128.8 Ų128.858%0.58171%0.706SS**  trans-104.7139.7160.9-78169.5000108.7T885 K889 P968T885-L887 HydrophobicContact CG2-CD1 4.43Å; L887-K889 PolarHBondContact O-N 2.94Å; L887-P968 HydrophobicContact CD1-CB 4.04Å
888P43.9Very low46Very low118 Ų118133.4 Ų133.477%0.76671%0.708SS**  trans-63.7128178.527.1-33.6000109.5S890P888-S890 VanDerWaalsContact C-N 3.33Å; P888-S890 PolarHBondContact O-N 3.06Å
889K39.1Very low47.4Very low200 Ų200132.7 Ų132.787%0.8771%0.709SS**  trans-68.887.6-177.2-69.2169.8-177.6163.40111L887 K891L887-K889 PolarHBondContact O-N 2.94Å; K889-K891 PolarHBondContact O-N 3.33Å
890S48.2Very low49.2Very low44 Ų44131.9 Ų131.931%0.30870%0.701SS.*  trans-53.3137.2163.8121.80000108.4P888 K892 E972P888-S890 VanDerWaalsContact C-N 3.33Å; P888-S890 PolarHBondContact O-N 3.06Å; S890-K892 PolarHBondContact O-N 3.22Å; S890-K892 PolarHBondContact OG-N 3.05Å; S890-E972 WeakPolarHBondContact CB-OE1 3.48Å; S890-E972 PolarHBondContact OG-OE1 3.41Å
891K55.3Low50.6Low215 Ų215133.4 Ų133.494%0.93569%0.692SS**SBendtrans-87.518.5-179.7-66.2-178.3-179.6174.50111.9K889K889-K891 PolarHBondContact O-N 3.33Å
892K57.9Low52.2Low116 Ų116134.7 Ų134.750%0.50469%0.687SS.*  trans-116-22.8-162.7-78.8-177.8148.5-149.90115.1S890 E976 N977S890-K892 PolarHBondContact O-N 3.22Å; S890-K892 PolarHBondContact OG-N 3.05Å; K892-E976 HydrophobicContact CB-CG 4.33Å; K892-E976 WeakPolarHBondContact CD-OE1 3.42Å; K892-E976 VanDerWaalsContact CE-OE1 3.26Å; K892-E976 WeakPolarHBondContact CE-OE1 3.35Å; K892-E976 IonicContact NZ-OE1 2.71Å; K892-E976 PolarHBondContact NZ-OE1 2.83Å; K892-N977 WeakPolarHBondContact O-CA 3.5Å; K892-N977 WeakPolarHBondContact O-CB 3.45Å; K892-N977 PolarHBondContact O-N 3.43Å
893T59.3Low53.6Low57 Ų57132.4 Ų132.435%0.3567%0.665SS.*BIsolated β-bridgetrans-78.4149.1-177-4.30000112.6R895 E972 F975T893-R895 PolarHBondContact O-N 3.23Å; T893-E972 PolarHBondContact OG1-OE1 3.08Å; T893-F975 WeakPolarHBondContact CA-O 3.33Å; T893-F975 HydrophobicContact CG2-CB 4.08Å
894I61.8Low55.6Low94 Ų94129.3 Ų129.348%0.48264%0.643SS.*PPolyproline II helixtrans-61.5127175.3-67.5168.8000110.3F975 N977I894-F975 PolarHBondContact N-O 2.78Å; I894-N977 HydrophobicContact CG1-CB 4.1Å
895R65.5Low57.3Low216 Ų216129.9 Ų129.982%0.81564%0.641SS**PPolyproline II helixtrans-93.4118.2-175.9-165.8172.7-174.5172.40.1111.4T893 H897T893-R895 PolarHBondContact O-N 3.23Å; R895-H897 PolarHBondContact O-CD2 3.39Å
896L60.5Low59Low107 Ų107132.1 Ų132.156%0.5664%0.64SS**PPolyproline II helixtrans-72.9129.7179.1-62.9174.7000111.3W898L896-W898 VanDerWaalsContact C-N 3.34Å; L896-W898 HydrophobicContact CB-CD2 4.07Å; L896-W898 HydrophobicContact CB-CE3 3.88Å; L896-W898 HydrophobicContact CB-CH2 4.03Å; L896-W898 HydrophobicContact CB-CZ2 4.18Å; L896-W898 HydrophobicContact CB-CZ3 3.87Å; L896-W898 HydrophobicContact CD1-CE3 4.18Å; L896-W898 HydrophobicContact CD1-CH2 3.59Å; L896-W898 HydrophobicContact CD1-CZ2 4.49Å; L896-W898 HydrophobicContact CD1-CZ3 3.4Å; L896-W898 VanDerWaalsContact CD1-CZ3 3.4Å; L896-W898 HydrophobicContact CG-CH2 4.41Å; L896-W898 HydrophobicContact CG-CZ3 4.27Å; L896-W898 PolarHBondContact O-N 3.32Å
897H63.4Low60.8Low185 Ų185125.8 Ų125.886%0.85661%0.612SS**  trans-93.147.7-173.6-78.7-94.7000112.9R895R895-H897 PolarHBondContact O-CD2 3.39Å
898W62.4Low62.1Low200 Ų200121.9 Ų121.976%0.75859%0.592SS**PPolyproline II helixtrans-71.2142.417139.355000111.7L896 E900L896-W898 VanDerWaalsContact C-N 3.34Å; L896-W898 HydrophobicContact CB-CD2 4.07Å; L896-W898 HydrophobicContact CB-CE3 3.88Å; L896-W898 HydrophobicContact CB-CH2 4.03Å; L896-W898 HydrophobicContact CB-CZ2 4.18Å; L896-W898 HydrophobicContact CB-CZ3 3.87Å; L896-W898 HydrophobicContact CD1-CE3 4.18Å; L896-W898 HydrophobicContact CD1-CH2 3.59Å; L896-W898 HydrophobicContact CD1-CZ2 4.49Å; L896-W898 HydrophobicContact CD1-CZ3 3.4Å; L896-W898 VanDerWaalsContact CD1-CZ3 3.4Å; L896-W898 HydrophobicContact CG-CH2 4.41Å; L896-W898 HydrophobicContact CG-CZ3 4.27Å; L896-W898 PolarHBondContact O-N 3.32Å; W898-E900 PolarHBondContact O-N 2.81Å
899T64.3Low63.1Low138 Ų138123.5 Ų123.585%0.84759%0.587SS**PPolyproline II helixtrans-77.4117.5165.339.90000109.1W901T899-W901 PolarHBondContact O-N 3.34Å; T899-W901 VanDerWaalsContact O-N 3.17Å
900E70.6Confident64.3Low136 Ų136120.1 Ų120.164%0.63658%0.576SS**PPolyproline II helixtrans-57.5117.2176.2-173-170.9157.100110.2W898 K902W898-E900 PolarHBondContact O-N 2.81Å; E900-K902 PolarHBondContact O-N 3.25Å; E900-K902 WeakPolarHBondContact OE1-CE 3.16Å; E900-K902 IonicContact OE1-NZ 2.74Å; E900-K902 PolarHBondContact OE1-NZ 3.22Å; E900-K902 WeakPolarHBondContact OE2-CE 3.31Å; E900-K902 IonicContact OE2-NZ 2.7Å; E900-K902 PolarHBondContact OE2-NZ 2.94Å
901W65.1Low65Low146 Ų146120.2 Ų120.255%0.55357%0.572SS**  trans-66.9104.3179.9179.970.8000110.3T899 P903 I911T899-W901 PolarHBondContact O-N 3.34Å; T899-W901 VanDerWaalsContact O-N 3.17Å; W901-P903 HydrophobicContact CE3-CG 4.45Å; W901-P903 HydrophobicContact CH2-CB 3.8Å; W901-P903 HydrophobicContact CH2-CG 4.05Å; W901-P903 HydrophobicContact CZ2-CB 3.71Å; W901-P903 HydrophobicContact CZ2-CG 4.37Å; W901-P903 HydrophobicContact CZ3-CB 4.3Å; W901-P903 HydrophobicContact CZ3-CG 4.08Å; W901-P903 WeakPolarHBondContact O-CD 3.32Å; W901-I911 HydrophobicContact CH2-CD1 4.46Å; W901-I911 HydrophobicContact CZ2-CD1 4.43Å
902K69.8Low65.3Low135 Ų135112.5 Ų112.559%0.58755%0.548SS*.  trans-105.8100175.3-77.9171.4173.2139.30108E900 T904E900-K902 PolarHBondContact O-N 3.25Å; E900-K902 WeakPolarHBondContact OE1-CE 3.16Å; E900-K902 IonicContact OE1-NZ 2.74Å; E900-K902 PolarHBondContact OE1-NZ 3.22Å; E900-K902 WeakPolarHBondContact OE2-CE 3.31Å; E900-K902 IonicContact OE2-NZ 2.7Å; E900-K902 PolarHBondContact OE2-NZ 2.94Å; K902-T904 PolarHBondContact O-N 3.19Å; K902-T904 VanDerWaalsContact O-N 3.13Å
903P64.9Low65.3Low42 Ų42110.2 Ų110.227%0.27355%0.547SS..  trans-59.7120-17923.2-32.8000109.7W901 D907 L908W901-P903 HydrophobicContact CE3-CG 4.45Å; W901-P903 HydrophobicContact CH2-CB 3.8Å; W901-P903 HydrophobicContact CH2-CG 4.05Å; W901-P903 HydrophobicContact CZ2-CB 3.71Å; W901-P903 HydrophobicContact CZ2-CG 4.37Å; W901-P903 HydrophobicContact CZ3-CB 4.3Å; W901-P903 HydrophobicContact CZ3-CG 4.08Å; W901-P903 WeakPolarHBondContact O-CD 3.32Å; P903-D907 HydrophobicContact CB-CB 4.36Å; P903-L908 HydrophobicContact CB-CD2 3.95Å; P903-L908 HydrophobicContact CB-CG 4.07Å; P903-L908 HydrophobicContact CG-CD2 4.13Å
904T74.1Confident65.1Low73 Ų73112.2 Ų112.245%0.44856%0.56SS.*  trans-73.4167.3179.371.90000110.6K902 K906 D907 L908K902-T904 PolarHBondContact O-N 3.19Å; K902-T904 VanDerWaalsContact O-N 3.13Å; T904-K906 PolarHBondContact O-N 2.84Å; T904-K906 VanDerWaalsContact O-N 3.11Å; T904-K906 PolarHBondContact OG1-N 2.74Å; T904-D907 WeakPolarHBondContact CA-OD2 3.43Å; T904-D907 VanDerWaalsContact CB-OD2 3.24Å; T904-D907 WeakPolarHBondContact CB-OD2 3.31Å; T904-D907 WeakPolarHBondContact CG2-OD2 3.48Å; T904-D907 PolarHBondContact N-OD2 3.41Å; T904-D907 PolarHBondContact O-N 2.97Å; T904-D907 PolarHBondContact OG1-N 3.23Å; T904-D907 PolarHBondContact OG1-OD2 3.05Å; T904-L908 WeakPolarHBondContact O-CG 3.25Å; T904-L908 PolarHBondContact O-N 3.25Å
905A72.9Confident64.5Low85 Ų85113.8 Ų113.870%0.70256%0.563SS**Hα-helixtrans-60.3-19.417300000113.6K909A905-K909 VanDerWaalsContact O-CB 3.29Å; A905-K909 WeakPolarHBondContact O-CB 3.31Å; A905-K909 PolarHBondContact O-N 3.5Å
906K68.5Low63.4Low170 Ų170108.5 Ų108.574%0.73956%0.559SS**Hα-helixtrans-77.4-45.8169.6-78.2-170.1174.8-176.20111.5T904 K909 M910T904-K906 PolarHBondContact O-N 2.84Å; T904-K906 VanDerWaalsContact O-N 3.11Å; T904-K906 PolarHBondContact OG1-N 2.74Å; K906-K909 CarbonylContact O-C 3.41Å; K906-K909 WeakPolarHBondContact O-CB 3.49Å; K906-K909 PolarHBondContact O-N 3Å; K906-K909 VanDerWaalsContact O-N 3.11Å; K906-M910 WeakPolarHBondContact O-CG 3.27Å; K906-M910 PolarHBondContact O-N 3.28Å
907D67.4Low62.4Low53 Ų53108.4 Ų108.428%0.28357%0.567SS.*Hα-helixtrans-64.6-46.3-177.7-47.6-43.9000110.7P903 T904 K909 M910 I911P903-D907 HydrophobicContact CB-CB 4.36Å; T904-D907 WeakPolarHBondContact CA-OD2 3.43Å; T904-D907 VanDerWaalsContact CB-OD2 3.24Å; T904-D907 WeakPolarHBondContact CB-OD2 3.31Å; T904-D907 WeakPolarHBondContact CG2-OD2 3.48Å; T904-D907 PolarHBondContact N-OD2 3.41Å; T904-D907 PolarHBondContact O-N 2.97Å; T904-D907 PolarHBondContact OG1-N 3.23Å; T904-D907 PolarHBondContact OG1-OD2 3.05Å; D907-K909 PolarHBondContact O-N 3.05Å; D907-M910 PolarHBondContact O-N 3.49Å; D907-I911 WeakPolarHBondContact O-CB 3.25Å; D907-I911 WeakPolarHBondContact O-CD1 3.37Å; D907-I911 VanDerWaalsContact O-CG1 3.25Å; D907-I911 WeakPolarHBondContact O-CG1 3.33Å; D907-I911 PolarHBondContact O-N 3.41Å
908L68.3Low61.1Low30 Ų30104.3 Ų104.316%0.15756%0.56CS.*Hα-helixtrans-56.7-38.8172.6-65.9169.7000111.8P903 T904 A912 V949 I952P903-L908 HydrophobicContact CB-CD2 3.95Å; P903-L908 HydrophobicContact CB-CG 4.07Å; P903-L908 HydrophobicContact CG-CD2 4.13Å; T904-L908 WeakPolarHBondContact O-CG 3.25Å; T904-L908 PolarHBondContact O-N 3.25Å; L908-A912 VanDerWaalsContact O-CB 3.24Å; L908-A912 WeakPolarHBondContact O-CB 3.33Å; L908-A912 PolarHBondContact O-N 2.77Å; L908-V949 HydrophobicContact CD1-CG2 3.76Å; L908-V949 HydrophobicContact CD2-CG2 4.1Å; L908-I952 HydrophobicContact CB-CD1 4.43Å; L908-I952 HydrophobicContact CD2-CD1 3.79Å; L908-I952 HydrophobicContact CD2-CG2 4.25Å
909K66.4Low59.8Low152 Ų152100.2 Ų100.266%0.66156%0.561SS**Hα-helixtrans-71.2-39.6177.9-171.2174.3-179.1-1780112.1A905 K906 D907 S913A905-K909 VanDerWaalsContact O-CB 3.29Å; A905-K909 WeakPolarHBondContact O-CB 3.31Å; A905-K909 PolarHBondContact O-N 3.5Å; K906-K909 CarbonylContact O-C 3.41Å; K906-K909 WeakPolarHBondContact O-CB 3.49Å; K906-K909 PolarHBondContact O-N 3Å; K906-K909 VanDerWaalsContact O-N 3.11Å; D907-K909 PolarHBondContact O-N 3.05Å; K909-S913 WeakPolarHBondContact O-CB 3.44Å; K909-S913 PolarHBondContact O-N 3.03Å; K909-S913 PolarHBondContact O-OG 2.88Å
910M63.6Low58.6Low129 Ų12998.6 Ų98.664%0.63555%0.551SS**Hα-helixtrans-65.5-46.5174.3-64.9-148.1-54.300111.6K906 D907 A912 S913 T914K906-M910 WeakPolarHBondContact O-CG 3.27Å; K906-M910 PolarHBondContact O-N 3.28Å; D907-M910 PolarHBondContact O-N 3.49Å; M910-A912 VanDerWaalsContact C-N 3.28Å; M910-A912 PolarHBondContact O-N 3Å; M910-S913 CarbonylContact O-C 3.26Å; M910-S913 WeakPolarHBondContact O-CB 3.21Å; M910-S913 PolarHBondContact O-N 2.89Å; M910-T914 PolarHBondContact O-N 3.18Å; M910-T914 PolarHBondContact O-OG1 2.88Å
911I63.5Low56.8Low45 Ų4597.1 Ų97.123%0.23155%0.547CS..Hα-helixtrans-64.2-33.8179.8-63.3162.6000111.4W901 D907 T914 I952W901-I911 HydrophobicContact CH2-CD1 4.46Å; W901-I911 HydrophobicContact CZ2-CD1 4.43Å; D907-I911 WeakPolarHBondContact O-CB 3.25Å; D907-I911 WeakPolarHBondContact O-CD1 3.37Å; D907-I911 VanDerWaalsContact O-CG1 3.25Å; D907-I911 WeakPolarHBondContact O-CG1 3.33Å; D907-I911 PolarHBondContact O-N 3.41Å; I911-T914 WeakPolarHBondContact CA-OG1 3.39Å; I911-T914 PolarHBondContact O-OG1 3.13Å; I911-I952 HydrophobicContact CD1-CG2 4.39Å; I911-I952 HydrophobicContact CG2-CD1 4.5Å; I911-I952 HydrophobicContact CG2-CG1 4.23Å; I911-I952 HydrophobicContact CG2-CG2 3.9Å
912A61.3Low55.9Low53 Ų5398.3 Ų98.344%0.43856%0.557SS.*Hα-helixtrans-70.2-40.4170.300000112.6L908 M910 T914 K915L908-A912 VanDerWaalsContact O-CB 3.24Å; L908-A912 WeakPolarHBondContact O-CB 3.33Å; L908-A912 PolarHBondContact O-N 2.77Å; M910-A912 VanDerWaalsContact C-N 3.28Å; M910-A912 PolarHBondContact O-N 3Å; A912-T914 PolarHBondContact O-N 3.01Å; A912-K915 PolarHBondContact O-N 3.49Å; A912-K915 VanDerWaalsContact O-N 3.1Å
913S57.3Low54.9Low68 Ų6896.9 Ų96.948%0.47656%0.561SS.*Hα-helixtrans-65.4-34.3176.1-67.60000113K909 M910 K915 S916K909-S913 WeakPolarHBondContact O-CB 3.44Å; K909-S913 PolarHBondContact O-N 3.03Å; K909-S913 PolarHBondContact O-OG 2.88Å; M910-S913 CarbonylContact O-C 3.26Å; M910-S913 WeakPolarHBondContact O-CB 3.21Å; M910-S913 PolarHBondContact O-N 2.89Å; S913-K915 PolarHBondContact O-N 3.4Å; S913-K915 VanDerWaalsContact O-N 3.13Å; S913-S916 PolarHBondContact O-N 3.3Å; S913-S916 VanDerWaalsContact O-N 3.14Å; S913-S916 PolarHBondContact O-OG 2.84Å
914T54.5Low53.5Low100 Ų100100.2 Ų100.261%0.61358%0.577SS**THydrogen-bonded Turntrans-68.6-4172.6470000114.1M910 I911 A912M910-T914 PolarHBondContact O-N 3.18Å; M910-T914 PolarHBondContact O-OG1 2.88Å; I911-T914 WeakPolarHBondContact CA-OG1 3.39Å; I911-T914 PolarHBondContact O-OG1 3.13Å; A912-T914 PolarHBondContact O-N 3.01Å
915K50.5Low51.7Low127 Ų127104.5 Ų104.555%0.55259%0.589SS**THydrogen-bonded Turntrans-100.57.1171.4-78.6-170.7170.9-175.10114.2A912 S913 A955A912-K915 PolarHBondContact O-N 3.49Å; A912-K915 VanDerWaalsContact O-N 3.1Å; S913-K915 PolarHBondContact O-N 3.4Å; S913-K915 VanDerWaalsContact O-N 3.13Å; K915-A955 VanDerWaalsContact NZ-CB 3.35Å
916S42.6Very low49.9Very low105 Ų105104.7 Ų104.773%0.73459%0.591SS**SBendtrans-100.919.3176.171.70000114.7S913S913-S916 PolarHBondContact O-N 3.3Å; S913-S916 VanDerWaalsContact O-N 3.14Å; S913-S916 PolarHBondContact O-OG 2.84Å
917S39.4Very low48.5Very low105 Ų105103.2 Ų103.273%0.73460%0.596SS**SBendtrans-124.236.8-178.6640000113.6
918S35.6Very low46.8Very low99 Ų99104.1 Ų104.169%0.69262%0.618SS**SBendtrans-160.261.2177.964.80000113.8
919S34.8Very low45.3Very low114 Ų114111.3 Ų111.380%0.79766%0.655SS**  trans-173153.7169.9-121.70000108.8
920V38.5Very low43.7Very low103 Ų103107.4 Ų107.462%0.62466%0.658SS**  cis-143.4156.114.6-172.60000108.4K922V920-K922 HydrophobicContact CG1-CB 3.93Å; V920-K922 HydrophobicContact CG1-CG 4.34Å
921D33.8Very low42.4Very low105 Ų105106.3 Ų106.356%0.56166%0.663SS**  trans-131.7145137.2-106.7-44.8000110.7
922K45.4Very low41Very low172 Ų172114.4 Ų114.475%0.74869%0.69SS**  trans-174.6154.1-169.3-111.2-164.2173.9-1770112.6V920V920-K922 HydrophobicContact CG1-CB 3.93Å; V920-K922 HydrophobicContact CG1-CG 4.34Å
923P48.6Very low39.6Very low104 Ų104120.3 Ų120.368%0.67571%0.707SS**  -126.8-118.3101.820.50.2000112.2
924D36.7Very low38.5Very low113 Ų113123 Ų12360%0.60472%0.721SS**  cis-158.1174.6-23.9-140.24.3000107.1
925K36.7Very low37.3Very low162 Ų162123.7 Ų123.770%0.70473%0.729SS**  cis-150.4129.9-7.8-161.3172-149.480.30109.9
926A34.2Very low36.4Very low90 Ų90122.1 Ų122.174%0.74474%0.74SS**  trans62164.5165.300000117.4
927T38.8Very low35.8Very low138 Ų138125 Ų12585%0.84775%0.746SS**  cis-150.913415.1-39.20000113.4
928G32.1Very low35.5Very low73 Ų73124.7 Ų124.775%0.75374%0.744SS**  trans75158.3152.800000119.6
929I36.2Very low35.4Very low180 Ų180126.8 Ų126.892%0.92375%0.747SS**  cis-151.3146.4-10.7-79.8169.8000107.8
930G34.3Very low35.3Very low70 Ų70127.7 Ų127.772%0.72274%0.744SS**  trans113.3107.5143.300000121.5
931S36.3Very low35.2Very low107 Ų107130.7 Ų130.775%0.74875%0.748SS**  trans19119.6152.9-146.50000121
932R33.9Very low35.7Very low214 Ų214131.4 Ų131.481%0.80876%0.756SS**  47.6113.375.5-73.2-165.8-75.9-174-7.5116
933F31.7Very low35.7Very low177 Ų177130.3 Ų130.378%0.77675%0.752SS**  174.9148.996.2-121.6-80.9000115.6
934T33.3Very low35.4Very low126 Ų126130.2 Ų130.277%0.77374%0.742SS**  trans65.1139.7157.9180000123.6
935S30.3Very low35.9Very low113 Ų113129.4 Ų129.479%0.7974%0.741SS**  trans-86.2150.9176.552.30000115.1
936A31.8Very low36.4Very low95 Ų95130.1 Ų130.179%0.78574%0.744SS**  trans-164.3149.913200000113.1
937L30.7Very low37Very low165 Ų165134 Ų13486%0.86474%0.74SS**  trans46.9113153.7-100.762.5000122.1
938S32.3Very low37.8Very low98 Ų98131.8 Ų131.869%0.68572%0.723SS**  75.1149.5126.7-144.70000121.8
939N32.6Very low38.8Very low143 Ų143131.4 Ų131.477%0.76571%0.705SS**  trans5470.8159.4-63.8-16.5000119.1
940N33.8Very low39.8Very low134 Ų134130.5 Ų130.572%0.71770%0.695SS**  trans-172.183.5142.7-100.2-53.8000113.1
941K35.9Very low41Very low165 Ų165131.4 Ų131.472%0.71769%0.687SS**  trans-134.637.4167.8-160.4145.4-174.8142.60115E944K941-E944 WeakPolarHBondContact CE-OE2 3.43Å; K941-E944 IonicContact NZ-OE2 2.91Å; K941-E944 PolarHBondContact NZ-OE2 3.45Å
942T45.2Very low41.9Very low120 Ų120127 Ų12774%0.73666%0.655SS**SBendtrans-116.78.917446.40000113.5
943K45.2Very low43Very low149 Ų149119.6 Ų119.665%0.64864%0.639SS**SBendtrans-109.9-11.5-179.6-78.5-178.6175.9173.80115.7
944E42.1Very low44.3Very low103 Ų103117.6 Ų117.648%0.48164%0.636SS.*SBendtrans-79-51.4-179.9-65.5-174117.600112.1K941 K946 R947K941-E944 WeakPolarHBondContact CE-OE2 3.43Å; K941-E944 IonicContact NZ-OE2 2.91Å; K941-E944 PolarHBondContact NZ-OE2 3.45Å; E944-K946 PolarHBondContact O-N 2.96Å; E944-R947 PolarHBondContact O-N 3.27Å
945V46.5Very low45.7Very low96 Ų96113.4 Ų113.458%0.58262%0.615SS**Hα-helixtrans-54.3-24-177.4-174.70000113.8R947 V949V945-R947 VanDerWaalsContact C-N 3.29Å; V945-R947 PolarHBondContact O-N 3.21Å; V945-V949 WeakPolarHBondContact O-CG2 3.21Å
946K47.5Very low47.5Very low177 Ų177109.5 Ų109.577%0.7759%0.586SS**Hα-helixtrans-74-10.7175.4-85.9-170.4173-176.90114.8E944E944-K946 PolarHBondContact O-N 2.96Å
947R47.8Very low49.3Very low172 Ų172109.5 Ų109.565%0.64958%0.576SS**Hα-helixtrans-86.5-47.9174.3-65.7-167.7177.796.4-6.7111.3E944 V945 V949 K950 T951E944-R947 PolarHBondContact O-N 3.27Å; V945-R947 VanDerWaalsContact C-N 3.29Å; V945-R947 PolarHBondContact O-N 3.21Å; R947-V949 VanDerWaalsContact C-N 3.27Å; R947-V949 PolarHBondContact O-N 3.17Å; R947-K950 PolarHBondContact O-N 3.11Å; R947-T951 PolarHBondContact O-N 2.83Å; R947-T951 PolarHBondContact O-OG1 3.37Å
948D54Low51.1Low91 Ų91110.2 Ų110.249%0.48757%0.567SS.*Hα-helixtrans-59.7-36.4-176-51.6-43.2000112.7K950 T951 I952D948-K950 VanDerWaalsContact C-N 3.27Å; D948-K950 PolarHBondContact O-N 3.02Å; D948-T951 PolarHBondContact O-N 3.21Å; D948-T951 VanDerWaalsContact O-N 3.09Å; D948-I952 WeakPolarHBondContact O-CB 3.39Å; D948-I952 WeakPolarHBondContact O-CG1 3.32Å; D948-I952 PolarHBondContact O-N 3.24Å
949V54Low52.8Low64 Ų64108.3 Ų108.339%0.38855%0.554SS.*Hα-helixtrans-58.8-35.4175.7176.50000112.4L908 V945 R947 A953L908-V949 HydrophobicContact CD1-CG2 3.76Å; L908-V949 HydrophobicContact CD2-CG2 4.1Å; V945-V949 WeakPolarHBondContact O-CG2 3.21Å; R947-V949 VanDerWaalsContact C-N 3.27Å; R947-V949 PolarHBondContact O-N 3.17Å; V949-A953 WeakPolarHBondContact O-CB 3.17Å; V949-A953 PolarHBondContact O-N 2.6Å; V949-A953 VanDerWaalsContact O-N 3.11Å
950K57.4Low54.3Low161 Ų161108.8 Ų108.870%0.755%0.552SS**Hα-helixtrans-73.2-37.8174.5-84.1-164.4168.6-164.90112.2R947 D948 I952 A953R947-K950 PolarHBondContact O-N 3.11Å; D948-K950 VanDerWaalsContact C-N 3.27Å; D948-K950 PolarHBondContact O-N 3.02Å; K950-I952 VanDerWaalsContact C-N 3.31Å; K950-A953 PolarHBondContact O-N 3.31Å
951T58.6Low56.2Low90 Ų90107.2 Ų107.255%0.55254%0.542SS*.Hα-helixtrans-70.5-28.7177.9-43.30000112.3R947 D948R947-T951 PolarHBondContact O-N 2.83Å; R947-T951 PolarHBondContact O-OG1 3.37Å; D948-T951 PolarHBondContact O-N 3.21Å; D948-T951 VanDerWaalsContact O-N 3.09Å
952I55.8Low58Low15 Ų15104.8 Ų104.88%0.07754%0.541CS..Hα-helixtrans-77.1-37.5174.4-70.4166.2000111.4L908 I911 D948 K950 N954 A955L908-I952 HydrophobicContact CB-CD1 4.43Å; L908-I952 HydrophobicContact CD2-CD1 3.79Å; L908-I952 HydrophobicContact CD2-CG2 4.25Å; I911-I952 HydrophobicContact CD1-CG2 4.39Å; I911-I952 HydrophobicContact CG2-CD1 4.5Å; I911-I952 HydrophobicContact CG2-CG1 4.23Å; I911-I952 HydrophobicContact CG2-CG2 3.9Å; D948-I952 WeakPolarHBondContact O-CB 3.39Å; D948-I952 WeakPolarHBondContact O-CG1 3.32Å; D948-I952 PolarHBondContact O-N 3.24Å; K950-I952 VanDerWaalsContact C-N 3.31Å; I952-N954 PolarHBondContact O-N 2.78Å; I952-A955 PolarHBondContact O-N 3.36Å
953A56.4Low58.8Low58 Ų58104.9 Ų104.948%0.47954%0.544SS..Hα-helixtrans-57.9-34.1177.500000113.2V949 K950 A955 S959V949-A953 WeakPolarHBondContact O-CB 3.17Å; V949-A953 PolarHBondContact O-N 2.6Å; V949-A953 VanDerWaalsContact O-N 3.11Å; K950-A953 PolarHBondContact O-N 3.31Å; A953-A955 VanDerWaalsContact C-N 3.32Å; A953-S959 PolarHBondContact O-OG 2.93Å
954N59Low59.8Low134 Ų134103.3 Ų103.372%0.71755%0.547SS*.THydrogen-bonded Turntrans-89.614.2177.7-64.617.3000113.7I952I952-N954 PolarHBondContact O-N 2.78Å
955A64.1Low61.1Low39 Ų39108.4 Ų108.432%0.32257%0.567SS.*SBendtrans-134.338.5-174.800000112K915 I952 A953 S959K915-A955 VanDerWaalsContact NZ-CB 3.35Å; I952-A955 PolarHBondContact O-N 3.36Å; A953-A955 VanDerWaalsContact C-N 3.32Å; A955-S959 PolarHBondContact N-OG 2.87Å
956T67Low62.3Low30 Ų30110 Ų11018%0.18457%0.571CS.*SBendtrans-135162175.263.50000109.8W958 S959T956-W958 PolarHBondContact O-N 3.28Å; T956-S959 PolarHBondContact N-OG 3.16Å; T956-S959 PolarHBondContact O-N 2.87Å; T956-S959 PolarHBondContact O-OG 3.39Å
957V69.5Low63.8Low96 Ų96105.9 Ų105.958%0.58256%0.558SS**G310 helixtrans-52.7-30.517567.80000112.4S959 E960 I961V957-S959 PolarHBondContact O-N 2.81Å; V957-E960 PolarHBondContact O-N 2.76Å; V957-I961 VanDerWaalsContact O-CG1 3.22Å; V957-I961 WeakPolarHBondContact O-CG1 3.42Å; V957-I961 PolarHBondContact O-N 2.95Å
958W69.4Low64.9Low179 Ų179100.3 Ų100.368%0.67854%0.544SS*.G310 helixtrans-61.2-24.9177.7-51.7110.7000114.5T956 I961T956-W958 PolarHBondContact O-N 3.28Å; W958-I961 HydrophobicContact CD2-CD1 4.45Å; W958-I961 HydrophobicContact CE3-CD1 3.51Å; W958-I961 HydrophobicContact CZ3-CD1 3.89Å
959S66.9Low66Low58 Ų58101.9 Ų101.941%0.40655%0.552SS.*G310 helixtrans-86.1-4.6174.1410000114.1A953 A955 T956 V957A953-S959 PolarHBondContact O-OG 2.93Å; A955-S959 PolarHBondContact N-OG 2.87Å; T956-S959 PolarHBondContact N-OG 3.16Å; T956-S959 PolarHBondContact O-N 2.87Å; T956-S959 PolarHBondContact O-OG 3.39Å; V957-S959 PolarHBondContact O-N 2.81Å
960E65.3Low67.1Low154 Ų154104.4 Ų104.472%0.7256%0.558SS**THydrogen-bonded Turntrans-114-2.3-178.4-65.7170.8-171.700112.8V957 V962V957-E960 PolarHBondContact O-N 2.76Å; E960-V962 PolarHBondContact O-N 2.97Å
961I73Confident67.8Low100 Ų10099.5 Ų99.551%0.51354%0.54SS..PPolyproline II helixtrans-69.9120.9-179.7-52.6-170000110.7V957 W958V957-I961 VanDerWaalsContact O-CG1 3.22Å; V957-I961 WeakPolarHBondContact O-CG1 3.42Å; V957-I961 PolarHBondContact O-N 2.95Å; W958-I961 HydrophobicContact CD2-CD1 4.45Å; W958-I961 HydrophobicContact CE3-CD1 3.51Å; W958-I961 HydrophobicContact CZ3-CD1 3.89Å
962V73.2Confident68.6Low115 Ų11599.2 Ų99.270%0.69753%0.532SS*.PPolyproline II helixtrans-63.7127.6174.4-178.50000110.4E960 V964E960-V962 PolarHBondContact O-N 2.97Å; V962-V964 PolarHBondContact O-N 3.43Å
963P62.3Low69.5Low122 Ų122105.1 Ų105.179%0.79256%0.559SS**PPolyproline II helixtrans-62.8117.6176-2434.7000112.4
964V66Low70.3Confident116 Ų116105.9 Ų105.970%0.70356%0.558SS**PPolyproline II helixtrans-86.5128176.5-179.20000109.7V962 L966V962-V964 PolarHBondContact O-N 3.43Å; V964-L966 HydrophobicContact CG1-CD2 4.09Å
965K68.9Low70.7Confident210 Ų210104.2 Ų104.291%0.91355%0.545SS*.PPolyproline II helixtrans-72.5126.1168.1-70-176179179.70109.3
966L71.5Confident71.2Confident128 Ų128105.4 Ų105.467%0.6754%0.544SS*.  trans-116.5149.4173.7-62.5174.9000109.2V964 P968 L971V964-L966 HydrophobicContact CG1-CD2 4.09Å; L966-P968 WeakPolarHBondContact O-CD 3.34Å; L966-L971 HydrophobicContact CB-CD1 3.94Å; L966-L971 HydrophobicContact CD1-CD1 4.08Å; L966-L971 HydrophobicContact CG-CD1 4.48Å
967D79.2Confident70.7Confident91 Ų91108 Ų10849%0.48756%0.556SS.*  trans-78.1113.8169.5-175.5-30.5000108.7D969 F970 L971D967-D969 PolarHBondContact OD1-N 3.28Å; D967-F970 HydrophobicContact CB-CB 4Å; D967-F970 PolarHBondContact OD1-N 3.06Å; D967-L971 WeakPolarHBondContact O-CB 3.39Å; D967-L971 WeakPolarHBondContact O-CD1 3.38Å; D967-L971 VanDerWaalsContact O-CG 3.24Å; D967-L971 WeakPolarHBondContact O-CG 3.3Å; D967-L971 PolarHBondContact O-N 2.86Å
968P72.7Confident70.1Confident55 Ų55113.1 Ų113.136%0.35757%0.565SS.*Hα-helixtrans-74.1-31.4-17831.6-34.3000112.2L887 L966 L971 E972L887-P968 HydrophobicContact CD1-CB 4.04Å; L966-P968 WeakPolarHBondContact O-CD 3.34Å; P968-L971 PolarHBondContact O-N 2.91Å; P968-E972 WeakPolarHBondContact O-CG 3.43Å; P968-E972 PolarHBondContact O-N 3.46Å
969D76.8Confident69.1Low124 Ų124108.7 Ų108.766%0.66356%0.562SS**Hα-helixtrans-77-44-172.7-61.6-30.9000109.7D967 L971 E972 E973D967-D969 PolarHBondContact OD1-N 3.28Å; D969-L971 VanDerWaalsContact C-N 3.27Å; D969-L971 PolarHBondContact O-N 3.29Å; D969-E972 PolarHBondContact O-N 3.05Å; D969-E973 PolarHBondContact O-N 3.44Å
970F77Confident67.8Low117 Ų117110.1 Ų110.151%0.51357%0.571SS.*Hα-helixtrans-59.1-37.3170.7174.3-104.6000112.4D967 T974D967-F970 HydrophobicContact CB-CB 4Å; D967-F970 PolarHBondContact OD1-N 3.06Å; F970-T974 WeakPolarHBondContact CE2-OG1 3.25Å; F970-T974 WeakPolarHBondContact O-CB 3.33Å; F970-T974 PolarHBondContact O-N 3.38Å; F970-T974 PolarHBondContact O-OG1 3.42Å
971L71.2Confident66.6Low59 Ų59110.6 Ų110.631%0.30958%0.579SS.*Hα-helixtrans-75.9-36.2178.5-72.2176000112.8L966 D967 P968 D969 F975L966-L971 HydrophobicContact CB-CD1 3.94Å; L966-L971 HydrophobicContact CD1-CD1 4.08Å; L966-L971 HydrophobicContact CG-CD1 4.48Å; D967-L971 WeakPolarHBondContact O-CB 3.39Å; D967-L971 WeakPolarHBondContact O-CD1 3.38Å; D967-L971 VanDerWaalsContact O-CG 3.24Å; D967-L971 WeakPolarHBondContact O-CG 3.3Å; D967-L971 PolarHBondContact O-N 2.86Å; P968-L971 PolarHBondContact O-N 2.91Å; D969-L971 VanDerWaalsContact C-N 3.27Å; D969-L971 PolarHBondContact O-N 3.29Å; L971-F975 HydrophobicContact CD2-CD2 3.9Å; L971-F975 HydrophobicContact CD2-CE2 3.73Å; L971-F975 WeakPolarHBondContact O-CB 3.45Å; L971-F975 PolarHBondContact O-N 3.41Å
972E75.2Confident65Low84 Ų84112.9 Ų112.939%0.39359%0.592SS.*Hα-helixtrans-65.7-41171-74.3-124.710600111.6S890 T893 P968 D969 E976S890-E972 WeakPolarHBondContact CB-OE1 3.48Å; S890-E972 PolarHBondContact OG-OE1 3.41Å; T893-E972 PolarHBondContact OG1-OE1 3.08Å; P968-E972 WeakPolarHBondContact O-CG 3.43Å; P968-E972 PolarHBondContact O-N 3.46Å; D969-E972 PolarHBondContact O-N 3.05Å; E972-E976 WeakPolarHBondContact O-CA 3.45Å; E972-E976 WeakPolarHBondContact O-CB 3.35Å; E972-E976 PolarHBondContact O-N 3.4Å
973E76Confident63.4Low138 Ų138117 Ų11765%0.64560%0.6SS**Hα-helixtrans-66.1-47.6176.2-175.6177.5-164.100112.2D969D969-E973 PolarHBondContact O-N 3.44Å
974T71.3Confident62.3Low74 Ų74118.8 Ų118.845%0.45460%0.601SS.*Hα-helixtrans-72.1-30.7-175-57.10000112.6F970F970-T974 WeakPolarHBondContact CE2-OG1 3.25Å; F970-T974 WeakPolarHBondContact O-CB 3.33Å; F970-T974 PolarHBondContact O-N 3.38Å; F970-T974 PolarHBondContact O-OG1 3.42Å
975F68.4Low60.8Low100 Ų100123.1 Ų123.144%0.43961%0.611SS.*THydrogen-bonded Turntrans-116.123.2-177.5-61-84.2000113.7T893 I894 L971 N977T893-F975 WeakPolarHBondContact CA-O 3.33Å; T893-F975 HydrophobicContact CG2-CB 4.08Å; I894-F975 PolarHBondContact N-O 2.78Å; L971-F975 HydrophobicContact CD2-CD2 3.9Å; L971-F975 HydrophobicContact CD2-CE2 3.73Å; L971-F975 WeakPolarHBondContact O-CB 3.45Å; L971-F975 PolarHBondContact O-N 3.41Å; F975-N977 PolarHBondContact O-N 3.33Å
976E74.9Confident59Low64 Ų64121.2 Ų121.230%0.29960%0.602SS.*BIsolated β-bridgetrans-60.7122.6167.9-170.7-179.4-148.800110K892 E972 R978K892-E976 HydrophobicContact CB-CG 4.33Å; K892-E976 WeakPolarHBondContact CD-OE1 3.42Å; K892-E976 VanDerWaalsContact CE-OE1 3.26Å; K892-E976 WeakPolarHBondContact CE-OE1 3.35Å; K892-E976 IonicContact NZ-OE1 2.71Å; K892-E976 PolarHBondContact NZ-OE1 2.83Å; E972-E976 WeakPolarHBondContact O-CA 3.45Å; E972-E976 WeakPolarHBondContact O-CB 3.35Å; E972-E976 PolarHBondContact O-N 3.4Å; E976-R978 VanDerWaalsContact C-N 3.3Å; E976-R978 HydrophobicContact CB-CG 4.47Å; E976-R978 HydrophobicContact CG-CG 4.45Å; E976-R978 PolarHBondContact O-N 3.39Å
977N55.3Low57.2Low85 Ų85124.1 Ų124.146%0.45561%0.613SS.*  trans-71.286.8168.3-173.336.4000108.7K892 I894 F975 S979K892-N977 WeakPolarHBondContact O-CA 3.5Å; K892-N977 WeakPolarHBondContact O-CB 3.45Å; K892-N977 PolarHBondContact O-N 3.43Å; I894-N977 HydrophobicContact CG1-CB 4.1Å; F975-N977 PolarHBondContact O-N 3.33Å; N977-S979 PolarHBondContact ND2-OG 2.96Å; N977-S979 PolarHBondContact O-N 3.43Å
978R57.7Low55.1Low202 Ų202127.2 Ų127.276%0.76262%0.624SS**  trans-67.559.7-179.2-66.2-175.6-179.8177.82.4113E976E976-R978 VanDerWaalsContact C-N 3.3Å; E976-R978 HydrophobicContact CB-CG 4.47Å; E976-R978 HydrophobicContact CG-CG 4.45Å; E976-R978 PolarHBondContact O-N 3.39Å
979S47.9Very low53.6Low87 Ų87130.5 Ų130.561%0.60864%0.643SS**  trans-113.137.4-172.574.90000113.5N977N977-S979 PolarHBondContact ND2-OG 2.96Å; N977-S979 PolarHBondContact O-N 3.43Å
980S39.9Very low52.1Low87 Ų87128.8 Ų128.861%0.60865%0.646SS**  trans-156.250.4168.9720000114.3L982S980-L982 VanDerWaalsContact C-N 3.3Å; S980-L982 PolarHBondContact O-N 3Å; S980-L982 VanDerWaalsContact O-N 3.09Å
981D40Very low51Low164 Ų164127.4 Ų127.488%0.87765%0.647SS**  trans-73.595.6154.5-140.2-21.6000107.1K983D981-K983 VanDerWaalsContact C-N 3.3Å; D981-K983 PolarHBondContact O-N 3.39Å
982L40Very low50.4Low149 Ų149132 Ų13278%0.7867%0.665SS**  trans-7481.9-167.6-76170.1000110.7S980 I984S980-L982 VanDerWaalsContact C-N 3.3Å; S980-L982 PolarHBondContact O-N 3Å; S980-L982 VanDerWaalsContact O-N 3.09Å; L982-I984 PolarHBondContact O-N 3.23Å
983K40Very low50Low201 Ų201133.9 Ų133.987%0.87467%0.671SS**  trans-49.1118.7158.3-74.3-172.8178.1178.80107.9D981 K985D981-K983 VanDerWaalsContact C-N 3.3Å; D981-K983 PolarHBondContact O-N 3.39Å; K983-K985 PolarHBondContact O-N 2.72Å
984I38.3Very low49.8Very low160 Ų160127.5 Ų127.582%0.82164%0.642SS**  trans-45137.5-175.9-65.8168.2000109.5L982 K986L982-I984 PolarHBondContact O-N 3.23Å; I984-K986 PolarHBondContact O-N 3.31Å
985K33.7Very low50.1Low207 Ų207130.4 Ų130.490%0.965%0.65SS**  trans-63.475.3168.6-72.4-174.6178178.40110.3K983 Q987K983-K985 PolarHBondContact O-N 2.72Å; K985-Q987 PolarHBondContact O-N 2.78Å
986K31.7Very low50.7Low170 Ų170128.4 Ų128.474%0.73965%0.646SS**  trans-64.8116.3149.6-162.6179.7-174.7-168.30104.8I984 E988I984-K986 PolarHBondContact O-N 3.31Å; K986-E988 PolarHBondContact O-N 2.84Å
987Q33.3Very low51.2Low189 Ų189126.4 Ų126.488%0.88364%0.637SS**  trans-74.662.1178.8-169.1173.91.700109K985 V989K985-Q987 PolarHBondContact O-N 2.78Å; Q987-V989 PolarHBondContact O-N 2.98Å
988E35.9Very low52.6Low156 Ų156126.8 Ų126.873%0.72964%0.639SS**  trans-65.3114.9173.5-166.3151.2-98.300106.8K986 A990K986-E988 PolarHBondContact O-N 2.84Å; E988-A990 PolarHBondContact O-N 2.75Å; E988-A990 VanDerWaalsContact O-N 3.08Å
989V40.2Very low53.9Low123 Ų123123.6 Ų123.675%0.74563%0.634SS**  trans-53.9120.4-176.4175.60000107.4Q987 V991Q987-V989 PolarHBondContact O-N 2.98Å; V989-V991 VanDerWaalsContact C-N 3.3Å; V989-V991 PolarHBondContact O-N 2.72Å
990A45.2Very low55.8Low89 Ų89127.7 Ų127.774%0.73664%0.641SS**  trans-60.897.7177.200000108E988 K992E988-A990 PolarHBondContact O-N 2.75Å; E988-A990 VanDerWaalsContact O-N 3.08Å; A990-K992 PolarHBondContact O-N 2.78Å
991V54.3Low58.2Low87 Ų87126.1 Ų126.153%0.52762%0.622SS.*  trans-60.6108177.5-175.60000105.6V989 K993 L1062 P1063V989-V991 VanDerWaalsContact C-N 3.3Å; V989-V991 PolarHBondContact O-N 2.72Å; V991-K993 PolarHBondContact O-N 2.72Å; V991-K993 VanDerWaalsContact O-N 3.09Å; V991-L1062 HydrophobicContact CG1-CD2 4.21Å; V991-P1063 HydrophobicContact CG1-CG 3.77Å
992K58.8Low60.5Low157 Ų157119.3 Ų119.368%0.68359%0.587SS**  trans-50.5120.3-178.2-72.3-179.2178.4-1780107.8A990 L1062A990-K992 PolarHBondContact O-N 2.78Å; K992-L1062 HydrophobicContact CB-CD1 3.71Å; K992-L1062 HydrophobicContact CB-CD2 4.27Å; K992-L1062 WeakPolarHBondContact O-CD2 3.34Å
993K67.7Low62.9Low123 Ų123115.9 Ų115.954%0.53557%0.569SS.*  trans-90.7144.2176.5-67.8-170179.7-179.60109.6V991 E995 P1063V991-K993 PolarHBondContact O-N 2.72Å; V991-K993 VanDerWaalsContact O-N 3.09Å; K993-E995 VanDerWaalsContact C-N 3.34Å; K993-E995 HydrophobicContact CB-CG 4.23Å; K993-E995 PolarHBondContact O-N 2.8Å; K993-E995 VanDerWaalsContact O-N 3.08Å; K993-P1063 CarbonylContact C-O 3.56Å; K993-P1063 VanDerWaalsContact CA-O 3.23Å; K993-P1063 WeakPolarHBondContact CA-O 3.26Å; K993-P1063 HydrophobicContact CG-CG 4.44Å
994I72Confident65.2Low4 Ų4107.9 Ų107.92%0.02154%0.541CS..BIsolated β-bridgetrans-79.792.6172.9-55.1-179.9000106.6V996 A1055 K1056 Q1059 L1062 P1063 L1064 G1065I994-V996 HydrophobicContact CG2-CG2 3.81Å; I994-A1055 HydrophobicContact CG2-CB 3.65Å; I994-K1056 HydrophobicContact CD1-CB 4.47Å; I994-Q1059 HydrophobicContact CD1-CB 3.86Å; I994-Q1059 HydrophobicContact CG1-CB 4.3Å; I994-L1062 HydrophobicContact CD1-CB 4Å; I994-L1062 WeakPolarHBondContact CD1-O 3.31Å; I994-L1062 HydrophobicContact CG1-CB 3.86Å; I994-P1063 PolarHBondContact N-O 3.18Å; I994-L1064 HydrophobicContact CB-CD2 3.95Å; I994-L1064 HydrophobicContact CG2-CD2 3.91Å; I994-G1065 PolarHBondContact O-N 3.5Å
995E77.3Confident67.5Low135 Ų135100.3 Ų100.363%0.63150%0.502SS*.  trans-102.5122.1173.7-67.1177.2-173.400107.5K993 E1068K993-E995 VanDerWaalsContact C-N 3.34Å; K993-E995 HydrophobicContact CB-CG 4.23Å; K993-E995 PolarHBondContact O-N 2.8Å; K993-E995 VanDerWaalsContact O-N 3.08Å; E995-E1068 WeakPolarHBondContact CA-OE1 3.29Å
996V81.6Confident70.1Confident57 Ų5792.6 Ų92.635%0.34547%0.471SS..  trans-130.4-29.7-170.4177.30000111I994 A1051 I1052 A1055 E1068I994-V996 HydrophobicContact CG2-CG2 3.81Å; V996-A1051 HydrophobicContact CG1-CB 3.77Å; V996-I1052 HydrophobicContact CB-CG1 3.96Å; V996-I1052 HydrophobicContact CG1-CG1 4.07Å; V996-I1052 HydrophobicContact CG2-CG1 4.46Å; V996-A1055 HydrophobicContact CG2-CB 3.59Å; V996-E1068 HydrophobicContact CB-CG 4.44Å; V996-E1068 PolarHBondContact N-OE1 3.15Å
997L83.9Confident72.7Confident22 Ų2289.5 Ų89.512%0.11546%0.461CS..SBendtrans-74.3147.7175.5-62.3167.7000110R1001 I1005 E1048 I1052 A1067 E1068 L1071L997-R1001 HydrophobicContact CD2-CG 4.21Å; L997-I1005 HydrophobicContact CD1-CD1 3.92Å; L997-E1048 HydrophobicContact CD2-CB 4.22Å; L997-E1048 HydrophobicContact CD2-CG 3.81Å; L997-E1048 WeakPolarHBondContact CD2-OE1 3.2Å; L997-I1052 HydrophobicContact CD1-CD1 4.49Å; L997-I1052 HydrophobicContact CD2-CD1 4.27Å; L997-I1052 HydrophobicContact CG-CD1 4.27Å; L997-A1067 HydrophobicContact CD1-CB 3.77Å; L997-E1068 HydrophobicContact CD1-CG 4.02Å; L997-E1068 HydrophobicContact CG-CG 4.09Å; L997-E1068 PolarHBondContact N-OE1 2.8Å; L997-E1068 VanDerWaalsContact N-OE1 3.11Å; L997-L1071 HydrophobicContact CD1-CD1 3.76Å; L997-L1071 HydrophobicContact CD1-CG 4.35Å; L997-L1071 HydrophobicContact CD2-CD1 3.85Å; L997-L1071 HydrophobicContact CG-CD1 4.41Å
998D85.7Confident75.1Confident93 Ų9381.1 Ų81.150%0.49743%0.426SS..  trans-65.8155.6174.585.8-91.4000111.4K1000 R1001 S1002D998-K1000 PolarHBondContact O-N 2.94Å; D998-K1000 VanDerWaalsContact O-N 3.1Å; D998-K1000 WeakPolarHBondContact OD2-CA 3.45Å; D998-K1000 VanDerWaalsContact OD2-CB 3.25Å; D998-K1000 WeakPolarHBondContact OD2-CB 3.13Å; D998-K1000 PolarHBondContact OD2-N 2.83Å; D998-R1001 PolarHBondContact O-N 2.91Å; D998-R1001 WeakPolarHBondContact OD1-CB 3.4Å; D998-R1001 PolarHBondContact OD1-N 2.82Å; D998-R1001 PolarHBondContact OD2-N 3.22Å; D998-S1002 WeakPolarHBondContact O-CB 3.44Å; D998-S1002 PolarHBondContact O-N 3.03Å
999M84.3Confident77.4Confident135 Ų13575 Ų7567%0.66540%0.398SS*.Hα-helixtrans-56.6-30-176.1-174.659.56300113.4N1003M999-N1003 VanDerWaalsContact O-CB 3.26Å; M999-N1003 WeakPolarHBondContact O-CB 3.49Å; M999-N1003 PolarHBondContact O-N 2.69Å; M999-N1003 PolarHBondContact O-ND2 3.45Å; M999-N1003 PolarHBondContact SD-ND2 2.79Å
1000K88.1Confident79.5Confident173 Ų17377.6 Ų77.675%0.75240%0.399SS*.Hα-helixtrans-78.3-47.9176.6-61.3179179.6175.40111.4D998 N1003 A1004D998-K1000 PolarHBondContact O-N 2.94Å; D998-K1000 VanDerWaalsContact O-N 3.1Å; D998-K1000 WeakPolarHBondContact OD2-CA 3.45Å; D998-K1000 VanDerWaalsContact OD2-CB 3.25Å; D998-K1000 WeakPolarHBondContact OD2-CB 3.13Å; D998-K1000 PolarHBondContact OD2-N 2.83Å; K1000-N1003 PolarHBondContact O-N 3.31Å; K1000-A1004 WeakPolarHBondContact O-CB 3.46Å; K1000-A1004 PolarHBondContact O-N 3.2Å
1001R89.6Confident81.1Confident55 Ų5577.8 Ų77.821%0.20839%0.391CS..Hα-helixtrans-61.7-46.3178.1-178.566.5159.5163.3-1.6111.6L997 D998 N1003 A1004 I1005 T1041 L1043 E1048L997-R1001 HydrophobicContact CD2-CG 4.21Å; D998-R1001 PolarHBondContact O-N 2.91Å; D998-R1001 WeakPolarHBondContact OD1-CB 3.4Å; D998-R1001 PolarHBondContact OD1-N 2.82Å; D998-R1001 PolarHBondContact OD2-N 3.22Å; R1001-N1003 PolarHBondContact O-N 2.77Å; R1001-A1004 PolarHBondContact O-N 2.79Å; R1001-I1005 HydrophobicContact CG-CD1 4.06Å; R1001-I1005 WeakPolarHBondContact O-CD1 3.4Å; R1001-I1005 WeakPolarHBondContact O-CG1 3.28Å; R1001-I1005 PolarHBondContact O-N 2.88Å; R1001-T1041 PolarHBondContact NH1-O 2.93Å; R1001-L1043 PolarHBondContact NH2-O 3.41Å; R1001-E1048 WeakPolarHBondContact CG-OE1 3.44Å; R1001-E1048 IonicContact CZ-OE1 2.61Å; R1001-E1048 IonicContact CZ-OE2 3.52Å; R1001-E1048 IonicContact NE-OE1 2.65Å; R1001-E1048 PolarHBondContact NE-OE1 2.96Å; R1001-E1048 IonicContact NE-OE2 3.12Å; R1001-E1048 VanDerWaalsContact NH2-CD 3.33Å; R1001-E1048 IonicContact NH2-OE1 2.69Å; R1001-E1048 PolarHBondContact NH2-OE1 3.42Å; R1001-E1048 VanDerWaalsContact NH2-OE1 3.15Å; R1001-E1048 IonicContact NH2-OE2 2.78Å; R1001-E1048 PolarHBondContact NH2-OE2 3.43Å
1002S89.8Confident82.3Confident21 Ų2174.5 Ų74.515%0.14737%0.37CS..Hα-helixtrans-61-43.3175.5-171.50000111.8D998 I1005 N1006D998-S1002 WeakPolarHBondContact O-CB 3.44Å; D998-S1002 PolarHBondContact O-N 3.03Å; S1002-I1005 PolarHBondContact O-N 3.43Å; S1002-N1006 WeakPolarHBondContact O-CB 3.29Å; S1002-N1006 PolarHBondContact O-N 3.13Å; S1002-N1006 PolarHBondContact O-ND2 3.35Å; S1002-N1006 PolarHBondContact OG-ND2 3.15Å
1003N88.7Confident83.2Confident76 Ų7668.4 Ų68.441%0.40635%0.347SS..Hα-helixtrans-66.4-40174.5-84.1-57.9000112.9M999 K1000 R1001 I1005 N1006 I1007M999-N1003 VanDerWaalsContact O-CB 3.26Å; M999-N1003 WeakPolarHBondContact O-CB 3.49Å; M999-N1003 PolarHBondContact O-N 2.69Å; M999-N1003 PolarHBondContact O-ND2 3.45Å; M999-N1003 PolarHBondContact SD-ND2 2.79Å; K1000-N1003 PolarHBondContact O-N 3.31Å; R1001-N1003 PolarHBondContact O-N 2.77Å; N1003-I1005 VanDerWaalsContact C-N 3.34Å; N1003-I1005 PolarHBondContact O-N 2.96Å; N1003-N1006 CarbonylContact O-C 3.59Å; N1003-N1006 PolarHBondContact O-N 3.46Å; N1003-I1007 WeakPolarHBondContact O-CB 3.43Å; N1003-I1007 WeakPolarHBondContact O-CD1 3.49Å; N1003-I1007 VanDerWaalsContact O-CG1 3.22Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; N1003-I1007 PolarHBondContact O-N 2.69Å
1004A89.2Confident83.6Confident34 Ų3466.8 Ų66.828%0.28135%0.349SS..Hα-helixtrans-60.8-42.8177.100000111.8K1000 R1001 I1007 G1008 T1041K1000-A1004 WeakPolarHBondContact O-CB 3.46Å; K1000-A1004 PolarHBondContact O-N 3.2Å; R1001-A1004 PolarHBondContact O-N 2.79Å; A1004-I1007 PolarHBondContact O-N 2.99Å; A1004-G1008 PolarHBondContact O-N 2.89Å; A1004-T1041 HydrophobicContact CB-CG2 4.29Å
1005I87.8Confident83.7Confident0 Ų068.4 Ų68.40%036%0.359CS..Hα-helixtrans-64.5-46.8174.2-67.4160.6000110.7L997 R1001 S1002 N1003 I1007 G1008 L1009 M1042 A1067 F1070 L1071L997-I1005 HydrophobicContact CD1-CD1 3.92Å; R1001-I1005 HydrophobicContact CG-CD1 4.06Å; R1001-I1005 WeakPolarHBondContact O-CD1 3.4Å; R1001-I1005 WeakPolarHBondContact O-CG1 3.28Å; R1001-I1005 PolarHBondContact O-N 2.88Å; S1002-I1005 PolarHBondContact O-N 3.43Å; N1003-I1005 VanDerWaalsContact C-N 3.34Å; N1003-I1005 PolarHBondContact O-N 2.96Å; I1005-I1007 PolarHBondContact O-N 3.26Å; I1005-G1008 PolarHBondContact O-N 2.8Å; I1005-L1009 HydrophobicContact CG2-CD1 4.08Å; I1005-L1009 HydrophobicContact CG2-CG 4.44Å; I1005-L1009 WeakPolarHBondContact O-CB 3.4Å; I1005-L1009 WeakPolarHBondContact O-CG 3.44Å; I1005-L1009 PolarHBondContact O-N 3.27Å; I1005-M1042 HydrophobicContact CG2-CE 4.15Å; I1005-M1042 VanDerWaalsContact O-CE 3.23Å; I1005-M1042 WeakPolarHBondContact O-CE 3.3Å; I1005-A1067 HydrophobicContact CB-CB 3.94Å; I1005-A1067 HydrophobicContact CD1-CB 4.31Å; I1005-A1067 HydrophobicContact CG2-CB 3.67Å; I1005-F1070 HydrophobicContact CG2-CD1 3.77Å; I1005-F1070 HydrophobicContact CG2-CE1 4.5Å; I1005-L1071 HydrophobicContact CD1-CD1 3.95Å; I1005-L1071 HydrophobicContact CD1-CD2 3.9Å; I1005-L1071 HydrophobicContact CD1-CG 4.03Å
1006N87.3Confident83.6Confident46 Ų4672.9 Ų72.925%0.24637%0.371CS..Hα-helixtrans-66.6-20.2177.2-76.4-62.3000114S1002 N1003S1002-N1006 WeakPolarHBondContact O-CB 3.29Å; S1002-N1006 PolarHBondContact O-N 3.13Å; S1002-N1006 PolarHBondContact O-ND2 3.35Å; S1002-N1006 PolarHBondContact OG-ND2 3.15Å; N1003-N1006 CarbonylContact O-C 3.59Å; N1003-N1006 PolarHBondContact O-N 3.46Å
1007I86.9Confident83.8Confident104 Ų10472.7 Ų72.753%0.53337%0.37SS..Hα-helixtrans-78.9-49.2170.5-71.9162.8000110.3N1003 A1004 I1005 L1009 K1010N1003-I1007 WeakPolarHBondContact O-CB 3.43Å; N1003-I1007 WeakPolarHBondContact O-CD1 3.49Å; N1003-I1007 VanDerWaalsContact O-CG1 3.22Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; N1003-I1007 PolarHBondContact O-N 2.69Å; A1004-I1007 PolarHBondContact O-N 2.99Å; I1005-I1007 PolarHBondContact O-N 3.26Å; I1007-L1009 VanDerWaalsContact C-N 3.26Å; I1007-L1009 PolarHBondContact O-N 3.38Å; I1007-K1010 WeakPolarHBondContact O-CB 3.5Å; I1007-K1010 PolarHBondContact O-N 2.78Å
1008G83.7Confident83.9Confident13 Ų1371.7 Ų71.713%0.13436%0.364CS..Hα-helixtrans-59.4-36.7177.300000112.9A1004 I1005 K1010 V1011 L1012A1004-G1008 PolarHBondContact O-N 2.89Å; I1005-G1008 PolarHBondContact O-N 2.8Å; G1008-K1010 PolarHBondContact O-N 3.47Å; G1008-K1010 VanDerWaalsContact O-N 3.11Å; G1008-V1011 PolarHBondContact O-N 3.12Å; G1008-L1012 PolarHBondContact O-N 2.61Å
1009L83.6Confident83.8Confident29 Ų2968.2 Ų68.215%0.15235%0.347CS..THydrogen-bonded Turntrans-61.4-14.8174.7-80.1174.8000114.8I1005 I1007 P1015 M1042 F1070I1005-L1009 HydrophobicContact CG2-CD1 4.08Å; I1005-L1009 HydrophobicContact CG2-CG 4.44Å; I1005-L1009 WeakPolarHBondContact O-CB 3.4Å; I1005-L1009 WeakPolarHBondContact O-CG 3.44Å; I1005-L1009 PolarHBondContact O-N 3.27Å; I1007-L1009 VanDerWaalsContact C-N 3.26Å; I1007-L1009 PolarHBondContact O-N 3.38Å; L1009-P1015 HydrophobicContact CD2-CG 4.11Å; L1009-M1042 HydrophobicContact CD2-CE 4.4Å; L1009-M1042 HydrophobicContact CG-CE 3.94Å; L1009-F1070 HydrophobicContact CD1-CB 4.09Å; L1009-F1070 HydrophobicContact CD1-CD1 4.25Å; L1009-F1070 HydrophobicContact CD1-CG 4.12Å; L1009-F1070 HydrophobicContact CD2-CD1 3.95Å; L1009-F1070 HydrophobicContact CD2-CD2 3.78Å; L1009-F1070 HydrophobicContact CD2-CE1 3.97Å; L1009-F1070 HydrophobicContact CD2-CE2 3.81Å; L1009-F1070 HydrophobicContact CD2-CG 3.83Å; L1009-F1070 HydrophobicContact CD2-CZ 3.88Å; L1009-F1070 HydrophobicContact CG-CD1 4.22Å; L1009-F1070 HydrophobicContact CG-CE1 4.44Å; L1009-F1070 HydrophobicContact CG-CG 4.36Å
1010K84Confident83.8Confident176 Ų17664.1 Ų64.177%0.76533%0.332SS*.THydrogen-bonded Turntrans-82.1-16.7173.5-62.9176.7-177.8179.60113.4I1007 G1008I1007-K1010 WeakPolarHBondContact O-CB 3.5Å; I1007-K1010 PolarHBondContact O-N 2.78Å; G1008-K1010 PolarHBondContact O-N 3.47Å; G1008-K1010 VanDerWaalsContact O-N 3.11Å
1011V79.8Confident83.7Confident93 Ų9355.9 Ų55.956%0.56430%0.296SS*.THydrogen-bonded Turntrans-103.5-16.4-178-169.10000111.2G1008G1008-V1011 PolarHBondContact O-N 3.12Å
1012L79.4Confident83.6Confident18 Ų1853.3 Ų53.39%0.09429%0.287CS..SBendtrans-99.6159.3-179.7-66.4175.4000112.6G1008 I1018 I1030 L1038 M1042G1008-L1012 PolarHBondContact O-N 2.61Å; L1012-I1018 HydrophobicContact CB-CD1 3.84Å; L1012-I1018 HydrophobicContact CD1-CD1 4.18Å; L1012-I1030 HydrophobicContact CD2-CG2 4.38Å; L1012-L1038 HydrophobicContact CD1-CD2 3.75Å; L1012-L1038 HydrophobicContact CD1-CG 3.93Å; L1012-M1042 HydrophobicContact CD1-CE 4.09Å; L1012-M1042 HydrophobicContact CD1-SD 3.51Å; L1012-M1042 VanDerWaalsContact CD1-SD 3.51Å
1013P76.9Confident83.4Confident29 Ų2956.5 Ų56.519%0.18830%0.302CS..PPolyproline II helixtrans-60168.1171.9-24.134.6000114.1T1017 I1018 I1029 I1030P1013-T1017 VanDerWaalsContact CB-OG1 3.26Å; P1013-T1017 WeakPolarHBondContact CB-OG1 3.17Å; P1013-I1018 HydrophobicContact CB-CG1 4.32Å; P1013-I1018 VanDerWaalsContact O-CD1 3.23Å; P1013-I1018 WeakPolarHBondContact O-CD1 3.31Å; P1013-I1029 HydrophobicContact CB-CG2 4.14Å; P1013-I1029 HydrophobicContact CG-CG2 3.88Å; P1013-I1029 WeakPolarHBondContact CG-O 3.45Å; P1013-I1030 HydrophobicContact CG-CG1 4.2Å
1014P77.3Confident83.1Confident90 Ų9059.7 Ų59.758%0.58431%0.312SS*.PPolyproline II helixtrans-55.2134.9176.9-2634.9000112.4R1016 T1017 I1018P1014-R1016 VanDerWaalsContact C-N 3.28Å; P1014-R1016 PolarHBondContact O-N 2.96Å; P1014-T1017 HydrophobicContact CB-CG2 4.47Å; P1014-T1017 WeakPolarHBondContact O-CA 3.4Å; P1014-T1017 WeakPolarHBondContact O-CB 3.43Å; P1014-T1017 PolarHBondContact O-N 3.21Å; P1014-T1017 PolarHBondContact O-OG1 3.36Å; P1014-I1018 PolarHBondContact O-N 3.12Å
1015P73.2Confident82.8Confident37 Ų3758.8 Ų58.824%0.2430%0.302CS..Hα-helixtrans-44.5-41-172.5-3838.3000117.2L1009 T1017 I1018 F1070L1009-P1015 HydrophobicContact CD2-CG 4.11Å; P1015-T1017 VanDerWaalsContact C-N 3.26Å; P1015-T1017 PolarHBondContact O-N 3.41Å; P1015-I1018 WeakPolarHBondContact O-CB 3.48Å; P1015-I1018 PolarHBondContact O-N 2.84Å; P1015-F1070 HydrophobicContact CB-CD2 3.95Å; P1015-F1070 HydrophobicContact CB-CE2 4.39Å; P1015-F1070 HydrophobicContact CG-CD2 4.05Å
1016R76.1Confident82.6Confident229 Ų22961 Ų6186%0.86431%0.314SS*.Hα-helixtrans-66.6-26.6179.3-57.1-175.9-170173.73.6113.4P1014P1014-R1016 VanDerWaalsContact C-N 3.28Å; P1014-R1016 PolarHBondContact O-N 2.96Å
1017T84.2Confident82.3Confident54 Ų5465.1 Ų65.133%0.33133%0.331SS..Hα-helixtrans-80-33.4175.766.50000111.5P1013 P1014 P1015 S1019 S1020 A1021P1013-T1017 VanDerWaalsContact CB-OG1 3.26Å; P1013-T1017 WeakPolarHBondContact CB-OG1 3.17Å; P1014-T1017 HydrophobicContact CB-CG2 4.47Å; P1014-T1017 WeakPolarHBondContact O-CA 3.4Å; P1014-T1017 WeakPolarHBondContact O-CB 3.43Å; P1014-T1017 PolarHBondContact O-N 3.21Å; P1014-T1017 PolarHBondContact O-OG1 3.36Å; P1015-T1017 VanDerWaalsContact C-N 3.26Å; P1015-T1017 PolarHBondContact O-N 3.41Å; T1017-S1019 PolarHBondContact O-N 3.38Å; T1017-S1020 PolarHBondContact O-N 3.27Å; T1017-A1021 WeakPolarHBondContact O-CB 3.34Å; T1017-A1021 PolarHBondContact O-N 3.5Å
1018I85.6Confident82.1Confident0 Ų064.8 Ų64.80%034%0.338CS..Hα-helixtrans-57.7-51.2178.2-66.6174.4000111L1012 P1013 P1014 P1015 S1020 A1021 I1022 I1030 L1038 F1070 L1074L1012-I1018 HydrophobicContact CB-CD1 3.84Å; L1012-I1018 HydrophobicContact CD1-CD1 4.18Å; P1013-I1018 HydrophobicContact CB-CG1 4.32Å; P1013-I1018 VanDerWaalsContact O-CD1 3.23Å; P1013-I1018 WeakPolarHBondContact O-CD1 3.31Å; P1014-I1018 PolarHBondContact O-N 3.12Å; P1015-I1018 WeakPolarHBondContact O-CB 3.48Å; P1015-I1018 PolarHBondContact O-N 2.84Å; I1018-S1020 VanDerWaalsContact C-N 3.28Å; I1018-S1020 PolarHBondContact O-N 2.9Å; I1018-A1021 PolarHBondContact O-N 3.49Å; I1018-A1021 VanDerWaalsContact O-N 3.12Å; I1018-I1022 HydrophobicContact CG2-CD1 3.59Å; I1018-I1022 HydrophobicContact CG2-CG1 4.29Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; I1018-I1022 PolarHBondContact O-N 3.33Å; I1018-I1030 HydrophobicContact CB-CD1 4.29Å; I1018-I1030 HydrophobicContact CG1-CD1 4.22Å; I1018-I1030 HydrophobicContact CG2-CD1 3.94Å; I1018-L1038 HydrophobicContact CG2-CD1 4.38Å; I1018-F1070 HydrophobicContact CD1-CE2 3.73Å; I1018-F1070 HydrophobicContact CD1-CZ 3.99Å; I1018-L1074 HydrophobicContact CG2-CD2 3.98Å
1019S84.6Confident82Confident20 Ų2067.2 Ų67.214%0.1435%0.348CS..Hα-helixtrans-61.9-36-179.3-47.70000112.6T1017 L1023 T1073T1017-S1019 PolarHBondContact O-N 3.38Å; S1019-L1023 WeakPolarHBondContact O-CB 3.4Å; S1019-L1023 VanDerWaalsContact O-CG 3.24Å; S1019-L1023 WeakPolarHBondContact O-CG 3.27Å; S1019-L1023 PolarHBondContact O-N 3.3Å; S1019-L1023 VanDerWaalsContact O-N 3.12Å; S1019-T1073 PolarHBondContact OG-O 3.09Å
1020S84.6Confident82Confident49 Ų4965.9 Ų65.934%0.34334%0.341SS..Hα-helixtrans-68.9-39.7174.6-168.40000112.2T1017 I1018 L1023 K1024T1017-S1020 PolarHBondContact O-N 3.27Å; I1018-S1020 VanDerWaalsContact C-N 3.28Å; I1018-S1020 PolarHBondContact O-N 2.9Å; S1020-L1023 PolarHBondContact O-N 2.78Å; S1020-K1024 WeakPolarHBondContact O-CB 3.31Å; S1020-K1024 VanDerWaalsContact O-CG 3.32Å; S1020-K1024 WeakPolarHBondContact O-CG 3.35Å; S1020-K1024 PolarHBondContact O-N 3.07Å; S1020-K1024 VanDerWaalsContact O-N 3.16Å
1021A86.5Confident82Confident0 Ų061.8 Ų61.80%033%0.327CS..Hα-helixtrans-66.6-43.3177.100000112.2T1017 I1018 K1024 M1025 D1026 I1029 I1030 W1087T1017-A1021 WeakPolarHBondContact O-CB 3.34Å; T1017-A1021 PolarHBondContact O-N 3.5Å; I1018-A1021 PolarHBondContact O-N 3.49Å; I1018-A1021 VanDerWaalsContact O-N 3.12Å; A1021-K1024 CarbonylContact O-C 3.59Å; A1021-K1024 PolarHBondContact O-N 2.69Å; A1021-M1025 WeakPolarHBondContact O-CA 3.3Å; A1021-M1025 PolarHBondContact O-N 2.65Å; A1021-D1026 HydrophobicContact CB-CB 4.45Å; A1021-D1026 PolarHBondContact O-N 3.1Å; A1021-D1026 VanDerWaalsContact O-N 3.09Å; A1021-I1029 HydrophobicContact CB-CB 3.86Å; A1021-I1029 HydrophobicContact CB-CD1 4.19Å; A1021-I1029 HydrophobicContact CB-CG2 3.81Å; A1021-I1030 HydrophobicContact CB-CD1 3.96Å; A1021-I1030 HydrophobicContact CB-CG1 4.02Å; A1021-W1087 HydrophobicContact CB-CH2 4.27Å
1022I87.1Confident82.4Confident1 Ų162.3 Ų62.31%0.00532%0.319CS..Hα-helixtrans-63.7-40.9175.9-65.2167.7000111.4I1018 K1024 I1030 L1038 L1074 I1077 L1080 R1083 L1084 W1087I1018-I1022 HydrophobicContact CG2-CD1 3.59Å; I1018-I1022 HydrophobicContact CG2-CG1 4.29Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; I1018-I1022 PolarHBondContact O-N 3.33Å; I1022-K1024 VanDerWaalsContact C-N 3.26Å; I1022-K1024 PolarHBondContact O-N 3.47Å; I1022-I1030 HydrophobicContact CG1-CD1 4.37Å; I1022-L1038 HydrophobicContact CD1-CD1 4.28Å; I1022-L1074 HydrophobicContact CD1-CD2 3.96Å; I1022-I1077 HydrophobicContact CB-CD1 4.38Å; I1022-I1077 HydrophobicContact CD1-CD1 4.02Å; I1022-I1077 HydrophobicContact CG2-CD1 4.38Å; I1022-I1077 HydrophobicContact CG2-CG2 4.17Å; I1022-L1080 HydrophobicContact CD1-CD1 4.02Å; I1022-L1080 HydrophobicContact CG2-CD1 4.24Å; I1022-R1083 HydrophobicContact CG2-CB 4.22Å; I1022-L1084 HydrophobicContact CD1-CD2 4.05Å; I1022-L1084 HydrophobicContact CG1-CD2 4.03Å; I1022-L1084 HydrophobicContact CG2-CD2 4.48Å; I1022-W1087 HydrophobicContact CB-CZ3 4.4Å; I1022-W1087 HydrophobicContact CG1-CZ3 3.95Å
1023L84.2Confident82.7Confident88 Ų8866.4 Ų66.446%0.46134%0.338SS..Hα-helixtrans-67.1-25.9177.2-73.9171.8000113.2S1019 S1020 I1077S1019-L1023 WeakPolarHBondContact O-CB 3.4Å; S1019-L1023 VanDerWaalsContact O-CG 3.24Å; S1019-L1023 WeakPolarHBondContact O-CG 3.27Å; S1019-L1023 PolarHBondContact O-N 3.3Å; S1019-L1023 VanDerWaalsContact O-N 3.12Å; S1020-L1023 PolarHBondContact O-N 2.78Å; L1023-I1077 HydrophobicContact CD2-CG2 4.08Å; L1023-I1077 HydrophobicContact CG-CG2 4.49Å
1024K83.5Confident83.2Confident143 Ų14365.1 Ų65.162%0.62233%0.329SS*.Hα-helixtrans-102.2-12.3-179.7-67.2176.7-178.5-177.70115S1020 A1021 I1022 D1026S1020-K1024 WeakPolarHBondContact O-CB 3.31Å; S1020-K1024 VanDerWaalsContact O-CG 3.32Å; S1020-K1024 WeakPolarHBondContact O-CG 3.35Å; S1020-K1024 PolarHBondContact O-N 3.07Å; S1020-K1024 VanDerWaalsContact O-N 3.16Å; A1021-K1024 CarbonylContact O-C 3.59Å; A1021-K1024 PolarHBondContact O-N 2.69Å; I1022-K1024 VanDerWaalsContact C-N 3.26Å; I1022-K1024 PolarHBondContact O-N 3.47Å; K1024-D1026 VanDerWaalsContact C-N 3.33Å; K1024-D1026 HydrophobicContact CB-CB 4.27Å
1025M83.4Confident83.7Confident15 Ų1560.8 Ų60.87%0.07430%0.301CS..THydrogen-bonded Turntrans52.846.9-166.3-62.5-179.9173.100112.9A1021 H1027 L1086 W1087 L1232A1021-M1025 WeakPolarHBondContact O-CA 3.3Å; A1021-M1025 PolarHBondContact O-N 2.65Å; M1025-H1027 PolarHBondContact O-N 2.91Å; M1025-L1086 HydrophobicContact CE-CB 4.28Å; M1025-L1086 HydrophobicContact CE-CD2 3.88Å; M1025-L1086 HydrophobicContact CE-CG 3.84Å; M1025-W1087 VanDerWaalsContact C-CZ2 3.45Å; M1025-W1087 HydrophobicContact CB-CD2 3.98Å; M1025-W1087 HydrophobicContact CB-CG 3.92Å; M1025-W1087 HydrophobicContact CE-CB 4.09Å; M1025-W1087 HydrophobicContact CG-CB 4.03Å; M1025-W1087 HydrophobicContact CG-CD2 4.03Å; M1025-W1087 HydrophobicContact CG-CG 3.78Å; M1025-W1087 HydrophobicContact SD-CB 4.15Å; M1025-W1087 HydrophobicContact SD-CG 4.35Å; M1025-L1232 HydrophobicContact CE-CD2 4.13Å; M1025-L1232 HydrophobicContact SD-CD2 3.8Å
1026D82.1Confident84.4Confident46 Ų4662.5 Ų62.525%0.24631%0.306CS..  trans-85.796-174.3-166-21.2000112.7A1021 K1024 S1028 I1029 I1030 W1087A1021-D1026 HydrophobicContact CB-CB 4.45Å; A1021-D1026 PolarHBondContact O-N 3.1Å; A1021-D1026 VanDerWaalsContact O-N 3.09Å; K1024-D1026 VanDerWaalsContact C-N 3.33Å; K1024-D1026 HydrophobicContact CB-CB 4.27Å; D1026-S1028 PolarHBondContact O-N 3.3Å; D1026-S1028 WeakPolarHBondContact OD1-CB 3.48Å; D1026-S1028 PolarHBondContact OD1-N 3.46Å; D1026-S1028 PolarHBondContact OD1-OG 3.07Å; D1026-I1029 HydrophobicContact CB-CD1 4.17Å; D1026-I1029 HydrophobicContact CB-CG1 4.39Å; D1026-I1029 PolarHBondContact O-N 3.24Å; D1026-I1029 VanDerWaalsContact O-N 3.15Å; D1026-I1030 PolarHBondContact O-N 3.22Å; D1026-W1087 VanDerWaalsContact C-CZ2 3.45Å; D1026-W1087 WeakPolarHBondContact O-CZ2 3.43Å
1027H81.6Confident84.9Confident134 Ų13454.8 Ų54.862%0.6228%0.279SS*.THydrogen-bonded Turntrans-67-11.5-178.971-84.6000114.4M1025 I1029 L1091M1025-H1027 PolarHBondContact O-N 2.91Å; H1027-I1029 VanDerWaalsContact C-N 3.31Å; H1027-L1091 HydrophobicContact CB-CD2 4.02Å
1028S82Confident85.1Confident97 Ų9752.3 Ų52.368%0.67826%0.263SS*.THydrogen-bonded Turntrans-78.3-18.7173.773.60000112.7D1026D1026-S1028 PolarHBondContact O-N 3.3Å; D1026-S1028 WeakPolarHBondContact OD1-CB 3.48Å; D1026-S1028 PolarHBondContact OD1-N 3.46Å; D1026-S1028 PolarHBondContact OD1-OG 3.07Å
1029I82.7Confident85.2Confident64 Ų6453.8 Ų53.833%0.32827%0.271SS..THydrogen-bonded Turntrans-101.3-44-177.7-56.6176000110.9P1013 A1021 D1026 H1027P1013-I1029 HydrophobicContact CB-CG2 4.14Å; P1013-I1029 HydrophobicContact CG-CG2 3.88Å; P1013-I1029 WeakPolarHBondContact CG-O 3.45Å; A1021-I1029 HydrophobicContact CB-CB 3.86Å; A1021-I1029 HydrophobicContact CB-CD1 4.19Å; A1021-I1029 HydrophobicContact CB-CG2 3.81Å; D1026-I1029 HydrophobicContact CB-CD1 4.17Å; D1026-I1029 HydrophobicContact CB-CG1 4.39Å; D1026-I1029 PolarHBondContact O-N 3.24Å; D1026-I1029 VanDerWaalsContact O-N 3.15Å; H1027-I1029 VanDerWaalsContact C-N 3.31Å
1030I83Confident85.2Confident1 Ų158.2 Ų58.21%0.00530%0.297CS..SBendtrans-123.9125.6177.1-50.5179.4000109.4L1012 P1013 I1018 A1021 I1022 D1026 I1035 L1038 W1087L1012-I1030 HydrophobicContact CD2-CG2 4.38Å; P1013-I1030 HydrophobicContact CG-CG1 4.2Å; I1018-I1030 HydrophobicContact CB-CD1 4.29Å; I1018-I1030 HydrophobicContact CG1-CD1 4.22Å; I1018-I1030 HydrophobicContact CG2-CD1 3.94Å; A1021-I1030 HydrophobicContact CB-CD1 3.96Å; A1021-I1030 HydrophobicContact CB-CG1 4.02Å; I1022-I1030 HydrophobicContact CG1-CD1 4.37Å; D1026-I1030 PolarHBondContact O-N 3.22Å; I1030-I1035 HydrophobicContact CG2-CG1 3.97Å; I1030-L1038 HydrophobicContact CD1-CD1 4.26Å; I1030-W1087 HydrophobicContact CB-CH2 3.81Å; I1030-W1087 HydrophobicContact CB-CZ2 4.5Å; I1030-W1087 HydrophobicContact CB-CZ3 4.47Å; I1030-W1087 HydrophobicContact CD1-CH2 4.23Å; I1030-W1087 HydrophobicContact CD1-CZ3 4.28Å; I1030-W1087 HydrophobicContact CG1-CH2 4.28Å
1031N84.7Confident85Confident90 Ų9058.6 Ų58.648%0.48130%0.298SS..  trans-82.6169.4174.766.6-11.5000112E1033 G1034 I1035N1031-E1033 VanDerWaalsContact C-N 3.33Å; N1031-E1033 PolarHBondContact O-N 3.06Å; N1031-G1034 WeakPolarHBondContact O-CA 3.48Å; N1031-G1034 PolarHBondContact O-N 3.07Å; N1031-G1034 PolarHBondContact OD1-N 3.25Å; N1031-I1035 PolarHBondContact O-N 3.49Å
1032R87Confident84.7Confident104 Ų10458.6 Ų58.639%0.39230%0.298SS..Hα-helixtrans-46.4-53.3176.9-177.6-150.2148.3113.32.3112.4G1034 I1035 E1036 L1088 L1091 D1092R1032-G1034 PolarHBondContact O-N 2.92Å; R1032-I1035 WeakPolarHBondContact O-CB 3.22Å; R1032-I1035 PolarHBondContact O-N 3.03Å; R1032-I1035 VanDerWaalsContact O-N 3.08Å; R1032-E1036 IonicContact CZ-OE2 3.31Å; R1032-E1036 IonicContact NE-OE2 2.69Å; R1032-E1036 PolarHBondContact NE-OE2 3.3Å; R1032-E1036 VanDerWaalsContact NH2-CD 3.34Å; R1032-E1036 IonicContact NH2-OE1 3.87Å; R1032-E1036 PolarHBondContact NH2-OE1 2.96Å; R1032-E1036 IonicContact NH2-OE2 3.55Å; R1032-E1036 PolarHBondContact NH2-OE2 3.19Å; R1032-E1036 WeakPolarHBondContact O-CB 3.41Å; R1032-E1036 PolarHBondContact O-N 3.46Å; R1032-L1088 HydrophobicContact CG-CD1 3.63Å; R1032-L1091 HydrophobicContact CB-CD1 4.46Å; R1032-D1092 WeakPolarHBondContact CD-OD1 3.47Å; R1032-D1092 IonicContact CZ-OD1 3.6Å; R1032-D1092 IonicContact CZ-OD2 2.72Å; R1032-D1092 IonicContact NE-OD1 2.8Å; R1032-D1092 IonicContact NH1-OD1 3.68Å; R1032-D1092 PolarHBondContact NH1-OD1 2.97Å; R1032-D1092 IonicContact NH1-OD2 3.87Å; R1032-D1092 PolarHBondContact NH1-OD2 3.17Å; R1032-D1092 IonicContact NH2-OD2 3.75Å
1033E86.3Confident84.6Confident104 Ų10460.7 Ų60.749%0.48631%0.309SS..Hα-helixtrans-56.7-35.3178.9-73.1-173.9-137.600113.5N1031 E1036 K1037N1031-E1033 VanDerWaalsContact C-N 3.33Å; N1031-E1033 PolarHBondContact O-N 3.06Å; E1033-E1036 PolarHBondContact O-N 3.3Å; E1033-K1037 VanDerWaalsContact O-CB 3.3Å; E1033-K1037 WeakPolarHBondContact O-CB 3.26Å; E1033-K1037 WeakPolarHBondContact O-CD 3.49Å; E1033-K1037 WeakPolarHBondContact O-CG 3.27Å; E1033-K1037 PolarHBondContact O-N 3.19Å; E1033-K1037 IonicContact OE2-NZ 3.26Å; E1033-K1037 PolarHBondContact OE2-NZ 3.27Å
1034G86.5Confident84.5Confident1 Ų157.2 Ų57.21%0.0129%0.291CS..Hα-helixtrans-66.2-41177.500000112.1N1031 R1032 L1038N1031-G1034 WeakPolarHBondContact O-CA 3.48Å; N1031-G1034 PolarHBondContact O-N 3.07Å; N1031-G1034 PolarHBondContact OD1-N 3.25Å; R1032-G1034 PolarHBondContact O-N 2.92Å; G1034-L1038 WeakPolarHBondContact O-CB 3.47Å; G1034-L1038 VanDerWaalsContact O-CG 3.22Å; G1034-L1038 WeakPolarHBondContact O-CG 3.42Å; G1034-L1038 PolarHBondContact O-N 2.8Å
1035I89.2Confident84.6Confident0 Ų053.4 Ų53.40%028%0.28CS..Hα-helixtrans-66.3-43.7174.2-58.4168.8000110.4I1030 N1031 R1032 K1037 L1038 L1039 L1084 W1087 L1088 L1091I1030-I1035 HydrophobicContact CG2-CG1 3.97Å; N1031-I1035 PolarHBondContact O-N 3.49Å; R1032-I1035 WeakPolarHBondContact O-CB 3.22Å; R1032-I1035 PolarHBondContact O-N 3.03Å; R1032-I1035 VanDerWaalsContact O-N 3.08Å; I1035-K1037 PolarHBondContact O-N 2.81Å; I1035-L1038 WeakPolarHBondContact O-CB 3.28Å; I1035-L1038 PolarHBondContact O-N 3.47Å; I1035-L1039 HydrophobicContact CG2-CD1 4.17Å; I1035-L1039 PolarHBondContact O-N 3.46Å; I1035-L1084 HydrophobicContact CG2-CB 4.23Å; I1035-L1084 HydrophobicContact CG2-CD2 4.06Å; I1035-L1084 WeakPolarHBondContact CG2-O 3.35Å; I1035-W1087 HydrophobicContact CD1-CB 4.44Å; I1035-W1087 HydrophobicContact CD1-CD2 3.43Å; I1035-W1087 VanDerWaalsContact CD1-CD2 3.43Å; I1035-W1087 HydrophobicContact CD1-CE3 3.75Å; I1035-W1087 HydrophobicContact CD1-CG 3.77Å; I1035-W1087 HydrophobicContact CD1-CH2 4.31Å; I1035-W1087 HydrophobicContact CD1-CZ2 4.01Å; I1035-W1087 HydrophobicContact CD1-CZ3 4.18Å; I1035-W1087 HydrophobicContact CG1-CD2 4.26Å; I1035-W1087 HydrophobicContact CG1-CE3 4.06Å; I1035-W1087 HydrophobicContact CG1-CZ3 4.21Å; I1035-L1088 HydrophobicContact CG2-CB 3.97Å; I1035-L1091 HydrophobicContact CD1-CD1 3.56Å
1036E88.4Confident84.4Confident73 Ų7359.2 Ų59.234%0.34131%0.312SS..Hα-helixtrans-64.3-39179.5-163.5162.2-169.900111.8R1032 E1033 T1040R1032-E1036 IonicContact CZ-OE2 3.31Å; R1032-E1036 IonicContact NE-OE2 2.69Å; R1032-E1036 PolarHBondContact NE-OE2 3.3Å; R1032-E1036 VanDerWaalsContact NH2-CD 3.34Å; R1032-E1036 IonicContact NH2-OE1 3.87Å; R1032-E1036 PolarHBondContact NH2-OE1 2.96Å; R1032-E1036 IonicContact NH2-OE2 3.55Å; R1032-E1036 PolarHBondContact NH2-OE2 3.19Å; R1032-E1036 WeakPolarHBondContact O-CB 3.41Å; R1032-E1036 PolarHBondContact O-N 3.46Å; E1033-E1036 PolarHBondContact O-N 3.3Å; E1036-T1040 VanDerWaalsContact O-CB 3.28Å; E1036-T1040 WeakPolarHBondContact O-CB 3.26Å; E1036-T1040 PolarHBondContact O-N 2.88Å; E1036-T1040 PolarHBondContact O-OG1 2.86Å
1037K85Confident84.5Confident67 Ų6764.9 Ų64.929%0.29134%0.337SS..Hα-helixtrans-69.2-38.9171.4-72.5161.7-168.7161.10112.5E1033 I1035 T1041 M1042E1033-K1037 VanDerWaalsContact O-CB 3.3Å; E1033-K1037 WeakPolarHBondContact O-CB 3.26Å; E1033-K1037 WeakPolarHBondContact O-CD 3.49Å; E1033-K1037 WeakPolarHBondContact O-CG 3.27Å; E1033-K1037 PolarHBondContact O-N 3.19Å; E1033-K1037 IonicContact OE2-NZ 3.26Å; E1033-K1037 PolarHBondContact OE2-NZ 3.27Å; I1035-K1037 PolarHBondContact O-N 2.81Å; K1037-T1041 WeakPolarHBondContact O-CB 3.46Å; K1037-T1041 PolarHBondContact O-N 2.85Å; K1037-M1042 PolarHBondContact O-N 3.49Å
1038L88.3Confident84.6Confident1 Ų160 Ų601%0.00531%0.314CS..Hα-helixtrans-60.4-48.4174-78.3167.4000111.1L1012 I1018 I1022 I1030 G1034 I1035 M1042 L1043 F1070 L1074 L1084L1012-L1038 HydrophobicContact CD1-CD2 3.75Å; L1012-L1038 HydrophobicContact CD1-CG 3.93Å; I1018-L1038 HydrophobicContact CG2-CD1 4.38Å; I1022-L1038 HydrophobicContact CD1-CD1 4.28Å; I1030-L1038 HydrophobicContact CD1-CD1 4.26Å; G1034-L1038 WeakPolarHBondContact O-CB 3.47Å; G1034-L1038 VanDerWaalsContact O-CG 3.22Å; G1034-L1038 WeakPolarHBondContact O-CG 3.42Å; G1034-L1038 PolarHBondContact O-N 2.8Å; I1035-L1038 WeakPolarHBondContact O-CB 3.28Å; I1035-L1038 PolarHBondContact O-N 3.47Å; L1038-M1042 HydrophobicContact CD2-CB 4.24Å; L1038-M1042 HydrophobicContact CD2-SD 4.27Å; L1038-M1042 CarbonylContact O-C 3.54Å; L1038-M1042 PolarHBondContact O-N 3.32Å; L1038-L1043 PolarHBondContact O-N 3.27Å; L1038-F1070 HydrophobicContact CD2-CE1 4.4Å; L1038-F1070 HydrophobicContact CD2-CZ 3.96Å; L1038-L1074 HydrophobicContact CD2-CD1 4.12Å; L1038-L1084 HydrophobicContact CB-CD1 4.11Å; L1038-L1084 HydrophobicContact CB-CD2 4.42Å; L1038-L1084 HydrophobicContact CD1-CD2 4.08Å
1039L88.1Confident84.6Confident32 Ų3255.9 Ų55.917%0.16829%0.285CS..Hα-helixtrans-63.4-46.9177.7-78.2168.7000113I1035 L1043 K1081 L1084 E1085 L1088I1035-L1039 HydrophobicContact CG2-CD1 4.17Å; I1035-L1039 PolarHBondContact O-N 3.46Å; L1039-L1043 HydrophobicContact CD2-CD1 4.13Å; L1039-K1081 HydrophobicContact CD2-CG 4.47Å; L1039-L1084 HydrophobicContact CD1-CB 4.16Å; L1039-L1084 HydrophobicContact CD2-CB 3.61Å; L1039-L1084 HydrophobicContact CD2-CD1 4.15Å; L1039-L1084 HydrophobicContact CG-CB 3.79Å; L1039-L1084 HydrophobicContact CG-CD1 4.31Å; L1039-E1085 HydrophobicContact CD1-CG 4.22Å; L1039-E1085 HydrophobicContact CD2-CG 3.83Å; L1039-L1088 HydrophobicContact CD1-CD2 3.92Å
1040T86Confident84.7Confident112 Ų11259.9 Ų59.969%0.68730%0.302SS*.Hα-helixtrans-80-35-170.8-49.70000113E1036E1036-T1040 VanDerWaalsContact O-CB 3.28Å; E1036-T1040 WeakPolarHBondContact O-CB 3.26Å; E1036-T1040 PolarHBondContact O-N 2.88Å; E1036-T1040 PolarHBondContact O-OG1 2.86Å
1041T80Confident84.8Confident57 Ų5761.8 Ų61.835%0.3532%0.319SS..Hα-helixtrans-124.4-24.2-163.6-50.30000113.9R1001 A1004 K1037R1001-T1041 PolarHBondContact NH1-O 2.93Å; A1004-T1041 HydrophobicContact CB-CG2 4.29Å; K1037-T1041 WeakPolarHBondContact O-CB 3.46Å; K1037-T1041 PolarHBondContact O-N 2.85Å
1042M80.4Confident84.7Confident1 Ų157.5 Ų57.51%0.00530%0.296CS..  trans-126.27.5-164.7-42.5179.480.500114.2I1005 L1009 L1012 K1037 L1038 P1044 F1070I1005-M1042 HydrophobicContact CG2-CE 4.15Å; I1005-M1042 VanDerWaalsContact O-CE 3.23Å; I1005-M1042 WeakPolarHBondContact O-CE 3.3Å; L1009-M1042 HydrophobicContact CD2-CE 4.4Å; L1009-M1042 HydrophobicContact CG-CE 3.94Å; L1012-M1042 HydrophobicContact CD1-CE 4.09Å; L1012-M1042 HydrophobicContact CD1-SD 3.51Å; L1012-M1042 VanDerWaalsContact CD1-SD 3.51Å; K1037-M1042 PolarHBondContact O-N 3.49Å; L1038-M1042 HydrophobicContact CD2-CB 4.24Å; L1038-M1042 HydrophobicContact CD2-SD 4.27Å; L1038-M1042 CarbonylContact O-C 3.54Å; L1038-M1042 PolarHBondContact O-N 3.32Å; M1042-P1044 WeakPolarHBondContact O-CD 3.39Å; M1042-F1070 HydrophobicContact CB-CE1 4.32Å; M1042-F1070 HydrophobicContact CE-CD1 4.34Å; M1042-F1070 HydrophobicContact CE-CE1 3.7Å; M1042-F1070 HydrophobicContact CE-CZ 4.44Å
1043L84.8Confident84.5Confident45 Ų4557.7 Ų57.724%0.23630%0.302CS..PPolyproline II helixtrans-69.5119.2177.8-146.9169.6000108.7R1001 L1038 L1039 K1081R1001-L1043 PolarHBondContact NH2-O 3.41Å; L1038-L1043 PolarHBondContact O-N 3.27Å; L1039-L1043 HydrophobicContact CD2-CD1 4.13Å; L1043-K1081 HydrophobicContact CD1-CB 3.99Å; L1043-K1081 HydrophobicContact CD1-CD 4.02Å; L1043-K1081 HydrophobicContact CD1-CG 4.04Å; L1043-K1081 HydrophobicContact CD2-CB 4.37Å
1044P82.7Confident84.5Confident14 Ų1458.9 Ų58.99%0.09131%0.306CS..PPolyproline II helixtrans-66138.9175.625.1-33.1000111.1M1042 L1071 L1074 L1080M1042-P1044 WeakPolarHBondContact O-CD 3.39Å; P1044-L1071 HydrophobicContact CB-CB 4.17Å; P1044-L1071 HydrophobicContact CB-CD1 4.42Å; P1044-L1071 HydrophobicContact CB-CD2 4.08Å; P1044-L1071 HydrophobicContact CB-CG 4.44Å; P1044-L1074 HydrophobicContact CG-CB 4.21Å; P1044-L1080 HydrophobicContact CG-CD2 3.84Å
1045T85.1Confident84.3Confident64 Ų6459.4 Ų59.439%0.39331%0.31SS..PPolyproline II helixtrans-87.9159164.171.60000111E1047 E1048 C1049T1045-E1047 VanDerWaalsContact C-N 3.33Å; T1045-E1048 PolarHBondContact N-OE2 2.97Å; T1045-E1048 PolarHBondContact O-N 3.02Å; T1045-E1048 WeakPolarHBondContact OG1-CB 3.34Å; T1045-E1048 VanDerWaalsContact OG1-CG 3.26Å; T1045-E1048 WeakPolarHBondContact OG1-CG 3.46Å; T1045-E1048 PolarHBondContact OG1-N 3.37Å; T1045-E1048 VanDerWaalsContact OG1-N 3.15Å; T1045-E1048 PolarHBondContact OG1-OE2 3.19Å; T1045-C1049 PolarHBondContact O-N 2.85Å; T1045-C1049 PolarHBondContact O-SG 3.37Å; T1045-C1049 VanDerWaalsContact O-SG 3.4Å
1046D78.5Confident84Confident137 Ų13764.5 Ų64.573%0.73333%0.333SS*.Hα-helixtrans-63.8-40.8176.7-56.4-56.4000110.9E1048 C1049 E1050D1046-E1048 PolarHBondContact O-N 3.36Å; D1046-C1049 PolarHBondContact O-N 3.26Å; D1046-C1049 VanDerWaalsContact O-N 3.15Å; D1046-E1050 PolarHBondContact O-N 3.44Å
1047E83.6Confident83.6Confident164 Ų16464.7 Ų64.777%0.76635%0.346SS*.Hα-helixtrans-58.6-44.7174.1-63.5-179.9-178.900112.8T1045 C1049 A1051T1045-E1047 VanDerWaalsContact C-N 3.33Å; E1047-C1049 VanDerWaalsContact C-N 3.33Å; E1047-C1049 PolarHBondContact O-N 3.44Å; E1047-A1051 VanDerWaalsContact O-CB 3.26Å; E1047-A1051 WeakPolarHBondContact O-CB 3.23Å; E1047-A1051 PolarHBondContact O-N 2.88Å
1048E85Confident83.4Confident32 Ų3267.9 Ų67.915%0.1536%0.362CS..Hα-helixtrans-61.8-42.8174.6-75.1173.6142.800111L997 R1001 T1045 D1046 I1052 L1071L997-E1048 HydrophobicContact CD2-CB 4.22Å; L997-E1048 HydrophobicContact CD2-CG 3.81Å; L997-E1048 WeakPolarHBondContact CD2-OE1 3.2Å; R1001-E1048 WeakPolarHBondContact CG-OE1 3.44Å; R1001-E1048 IonicContact CZ-OE1 2.61Å; R1001-E1048 IonicContact CZ-OE2 3.52Å; R1001-E1048 IonicContact NE-OE1 2.65Å; R1001-E1048 PolarHBondContact NE-OE1 2.96Å; R1001-E1048 IonicContact NE-OE2 3.12Å; R1001-E1048 VanDerWaalsContact NH2-CD 3.33Å; R1001-E1048 IonicContact NH2-OE1 2.69Å; R1001-E1048 PolarHBondContact NH2-OE1 3.42Å; R1001-E1048 VanDerWaalsContact NH2-OE1 3.15Å; R1001-E1048 IonicContact NH2-OE2 2.78Å; R1001-E1048 PolarHBondContact NH2-OE2 3.43Å; T1045-E1048 PolarHBondContact N-OE2 2.97Å; T1045-E1048 PolarHBondContact O-N 3.02Å; T1045-E1048 WeakPolarHBondContact OG1-CB 3.34Å; T1045-E1048 VanDerWaalsContact OG1-CG 3.26Å; T1045-E1048 WeakPolarHBondContact OG1-CG 3.46Å; T1045-E1048 PolarHBondContact OG1-N 3.37Å; T1045-E1048 VanDerWaalsContact OG1-N 3.15Å; T1045-E1048 PolarHBondContact OG1-OE2 3.19Å; D1046-E1048 PolarHBondContact O-N 3.36Å; E1048-I1052 WeakPolarHBondContact O-CB 3.4Å; E1048-I1052 VanDerWaalsContact O-CD1 3.3Å; E1048-I1052 WeakPolarHBondContact O-CD1 3.34Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.41Å; E1048-I1052 PolarHBondContact O-N 2.76Å; E1048-L1071 HydrophobicContact CB-CD1 4.42Å
1049C81.2Confident82.8Confident11 Ų1172 Ų727%0.07438%0.381CS..Hα-helixtrans-68.8-43-179.4-720000112.7T1045 D1046 E1047 I1052 M1053 S1075T1045-C1049 PolarHBondContact O-N 2.85Å; T1045-C1049 PolarHBondContact O-SG 3.37Å; T1045-C1049 VanDerWaalsContact O-SG 3.4Å; D1046-C1049 PolarHBondContact O-N 3.26Å; D1046-C1049 VanDerWaalsContact O-N 3.15Å; E1047-C1049 VanDerWaalsContact C-N 3.33Å; E1047-C1049 PolarHBondContact O-N 3.44Å; C1049-I1052 PolarHBondContact O-N 2.86Å; C1049-M1053 WeakPolarHBondContact O-CB 3.34Å; C1049-M1053 WeakPolarHBondContact O-CG 3.44Å; C1049-M1053 PolarHBondContact O-N 2.96Å; C1049-S1075 WeakPolarHBondContact SG-CB 3.27Å; C1049-S1075 PolarHBondContact SG-OG 3.3Å; C1049-S1075 VanDerWaalsContact SG-OG 3.35Å
1050E84.7Confident81.8Confident147 Ų14777.3 Ų77.369%0.68741%0.41SS*.Hα-helixtrans-62.8-45.1174.5-74.7-168.4179.300111.3D1046 I1052 M1053 K1054D1046-E1050 PolarHBondContact O-N 3.44Å; E1050-I1052 PolarHBondContact O-N 3.05Å; E1050-M1053 PolarHBondContact O-N 3.18Å; E1050-K1054 WeakPolarHBondContact O-CB 3.37Å; E1050-K1054 PolarHBondContact O-N 3.16Å
1051A85Confident81Confident42 Ų4275.4 Ų75.435%0.34741%0.412SS..Hα-helixtrans-60.4-43.7176.500000111.9V996 E1047 A1055V996-A1051 HydrophobicContact CG1-CB 3.77Å; E1047-A1051 VanDerWaalsContact O-CB 3.26Å; E1047-A1051 WeakPolarHBondContact O-CB 3.23Å; E1047-A1051 PolarHBondContact O-N 2.88Å; A1051-A1055 VanDerWaalsContact O-CB 3.3Å; A1051-A1055 WeakPolarHBondContact O-CB 3.29Å; A1051-A1055 PolarHBondContact O-N 3.47Å
1052I83.9Confident80.8Confident0 Ų075.3 Ų75.30%041%0.409CS..Hα-helixtrans-66.5-44177.3-69.1163000111.5V996 L997 E1048 C1049 E1050 K1056 L1064 E1068 L1071 V1072V996-I1052 HydrophobicContact CB-CG1 3.96Å; V996-I1052 HydrophobicContact CG1-CG1 4.07Å; V996-I1052 HydrophobicContact CG2-CG1 4.46Å; L997-I1052 HydrophobicContact CD1-CD1 4.49Å; L997-I1052 HydrophobicContact CD2-CD1 4.27Å; L997-I1052 HydrophobicContact CG-CD1 4.27Å; E1048-I1052 WeakPolarHBondContact O-CB 3.4Å; E1048-I1052 VanDerWaalsContact O-CD1 3.3Å; E1048-I1052 WeakPolarHBondContact O-CD1 3.34Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.41Å; E1048-I1052 PolarHBondContact O-N 2.76Å; C1049-I1052 PolarHBondContact O-N 2.86Å; E1050-I1052 PolarHBondContact O-N 3.05Å; I1052-K1056 WeakPolarHBondContact O-CB 3.23Å; I1052-K1056 PolarHBondContact O-N 3.26Å; I1052-L1064 HydrophobicContact CG2-CD2 3.58Å; I1052-E1068 HydrophobicContact CD1-CB 4.06Å; I1052-E1068 HydrophobicContact CD1-CG 3.95Å; I1052-E1068 HydrophobicContact CG1-CB 4.26Å; I1052-E1068 HydrophobicContact CG1-CG 3.96Å; I1052-E1068 HydrophobicContact CG2-CB 4.15Å; I1052-L1071 HydrophobicContact CD1-CB 4.39Å; I1052-L1071 HydrophobicContact CD1-CD1 4.32Å; I1052-V1072 HydrophobicContact CB-CG2 4.36Å; I1052-V1072 HydrophobicContact CG2-CG2 3.48Å; I1052-V1072 VanDerWaalsContact CG2-CG2 3.48Å
1053M82.9Confident80.8Confident107 Ų10778 Ų7853%0.52743%0.427SS..Hα-helixtrans-68-39.2178.4-71.5-162.1-164.500112.2C1049 E1050 K1056 A1057C1049-M1053 WeakPolarHBondContact O-CB 3.34Å; C1049-M1053 WeakPolarHBondContact O-CG 3.44Å; C1049-M1053 PolarHBondContact O-N 2.96Å; E1050-M1053 PolarHBondContact O-N 3.18Å; M1053-K1056 WeakPolarHBondContact O-CB 3.32Å; M1053-K1056 PolarHBondContact O-N 3.36Å; M1053-A1057 PolarHBondContact O-N 3.12Å
1054K85.6Confident80.7Confident129 Ų12977.1 Ų77.156%0.56142%0.423SS*.Hα-helixtrans-62.9-50.4174.7178.7177.9171.6-179.60111.3E1050 K1056 A1057 E1058E1050-K1054 WeakPolarHBondContact O-CB 3.37Å; E1050-K1054 PolarHBondContact O-N 3.16Å; K1054-K1056 PolarHBondContact O-N 3.31Å; K1054-A1057 PolarHBondContact O-N 3.04Å; K1054-E1058 WeakPolarHBondContact CE-OE1 3.39Å; K1054-E1058 HydrophobicContact CG-CG 4.38Å; K1054-E1058 IonicContact NZ-OE1 2.86Å; K1054-E1058 WeakPolarHBondContact O-CG 3.47Å; K1054-E1058 PolarHBondContact O-N 2.92Å
1055A82.3Confident80.7Confident13 Ų1376.6 Ų76.611%0.10742%0.42CS..Hα-helixtrans-60.2-35.7177.600000112.1I994 V996 A1051 Q1059I994-A1055 HydrophobicContact CG2-CB 3.65Å; V996-A1055 HydrophobicContact CG2-CB 3.59Å; A1051-A1055 VanDerWaalsContact O-CB 3.3Å; A1051-A1055 WeakPolarHBondContact O-CB 3.29Å; A1051-A1055 PolarHBondContact O-N 3.47Å; A1055-Q1059 WeakPolarHBondContact O-CB 3.4Å; A1055-Q1059 PolarHBondContact O-N 3.22Å
1056K81.8Confident80.7Confident107 Ų10778.3 Ų78.347%0.46542%0.423SS..Hα-helixtrans-63.8-39.6172.4-166.8-162.4177.8-165.30113I994 I1052 M1053 K1054 Q1059 D1060 L1064I994-K1056 HydrophobicContact CD1-CB 4.47Å; I1052-K1056 WeakPolarHBondContact O-CB 3.23Å; I1052-K1056 PolarHBondContact O-N 3.26Å; M1053-K1056 WeakPolarHBondContact O-CB 3.32Å; M1053-K1056 PolarHBondContact O-N 3.36Å; K1054-K1056 PolarHBondContact O-N 3.31Å; K1056-Q1059 CarbonylContact O-C 3.49Å; K1056-D1060 WeakPolarHBondContact O-CA 3.39Å; K1056-D1060 PolarHBondContact O-N 3.14Å; K1056-L1064 HydrophobicContact CD-CD1 4.23Å; K1056-L1064 HydrophobicContact CG-CD1 4.49Å
1057A81.4Confident81.1Confident76 Ų7671.8 Ų71.863%0.62839%0.388SS*.Hα-helixtrans-74.8-34.1177.600000113M1053 K1054 Q1059M1053-A1057 PolarHBondContact O-N 3.12Å; K1054-A1057 PolarHBondContact O-N 3.04Å; A1057-Q1059 VanDerWaalsContact C-N 3.35Å
1058E81.3Confident81.4Confident134 Ų13464 Ų6463%0.62635%0.352SS*.Hα-helixtrans-74.4-23.5176.1-70.9178.6167.100113.1K1054K1054-E1058 WeakPolarHBondContact CE-OE1 3.39Å; K1054-E1058 HydrophobicContact CG-CG 4.38Å; K1054-E1058 IonicContact NZ-OE1 2.86Å; K1054-E1058 WeakPolarHBondContact O-CG 3.47Å; K1054-E1058 PolarHBondContact O-N 2.92Å
1059Q74.4Confident81.5Confident88 Ų8867.3 Ų67.341%0.41137%0.367SS..THydrogen-bonded Turntrans-123.144.2-179-57.8-173.531.700112I994 A1055 K1056 A1057 G1061 L1062I994-Q1059 HydrophobicContact CD1-CB 3.86Å; I994-Q1059 HydrophobicContact CG1-CB 4.3Å; A1055-Q1059 WeakPolarHBondContact O-CB 3.4Å; A1055-Q1059 PolarHBondContact O-N 3.22Å; K1056-Q1059 CarbonylContact O-C 3.49Å; A1057-Q1059 VanDerWaalsContact C-N 3.35Å; Q1059-G1061 PolarHBondContact O-N 3.3Å; Q1059-L1062 HydrophobicContact CB-CD1 4.27Å; Q1059-L1062 PolarHBondContact O-N 2.98Å; Q1059-L1062 VanDerWaalsContact O-N 3.1Å
1060D67.6Low81.8Confident144 Ų14466.8 Ų66.877%0.7736%0.364SS*.THydrogen-bonded Turntrans-58.9128.7-174.2-158.810.4000111.7K1056K1056-D1060 WeakPolarHBondContact O-CA 3.39Å; K1056-D1060 PolarHBondContact O-N 3.14Å
1061G69.6Low82Confident71 Ų7159.8 Ų59.873%0.73233%0.331SS*.THydrogen-bonded Turntrans101.8-9.6-170.100000116.4Q1059Q1059-G1061 PolarHBondContact O-N 3.3Å
1062L75.9Confident82Confident55 Ų5559.6 Ų59.629%0.28833%0.325SS..PPolyproline II helixtrans-97.1139.7173.4-67-177.6000113V991 K992 I994 Q1059V991-L1062 HydrophobicContact CG1-CD2 4.21Å; K992-L1062 HydrophobicContact CB-CD1 3.71Å; K992-L1062 HydrophobicContact CB-CD2 4.27Å; K992-L1062 WeakPolarHBondContact O-CD2 3.34Å; I994-L1062 HydrophobicContact CD1-CB 4Å; I994-L1062 WeakPolarHBondContact CD1-O 3.31Å; I994-L1062 HydrophobicContact CG1-CB 3.86Å; Q1059-L1062 HydrophobicContact CB-CD1 4.27Å; Q1059-L1062 PolarHBondContact O-N 2.98Å; Q1059-L1062 VanDerWaalsContact O-N 3.1Å
1063P78.8Confident82.1Confident59 Ų5961.7 Ų61.738%0.38334%0.339SS..PPolyproline II helixtrans-77.8144.3179.431.5-33.3000112.3V991 K993 I994V991-P1063 HydrophobicContact CG1-CG 3.77Å; K993-P1063 CarbonylContact C-O 3.56Å; K993-P1063 VanDerWaalsContact CA-O 3.23Å; K993-P1063 WeakPolarHBondContact CA-O 3.26Å; K993-P1063 HydrophobicContact CG-CG 4.44Å; I994-P1063 PolarHBondContact N-O 3.18Å
1064L82.8Confident82.3Confident26 Ų2656.7 Ų56.714%0.13631%0.314CS..BIsolated β-bridgetrans-69.2155.8176.6-73.4155000113I994 I1052 K1056 E1068 Q1069I994-L1064 HydrophobicContact CB-CD2 3.95Å; I994-L1064 HydrophobicContact CG2-CD2 3.91Å; I1052-L1064 HydrophobicContact CG2-CD2 3.58Å; K1056-L1064 HydrophobicContact CD-CD1 4.23Å; K1056-L1064 HydrophobicContact CG-CD1 4.49Å; L1064-E1068 HydrophobicContact CB-CB 4.3Å; L1064-E1068 HydrophobicContact CD2-CB 3.97Å; L1064-Q1069 HydrophobicContact CB-CB 4.26Å
1065G84.3Confident82.2Confident3 Ų352.7 Ų52.73%0.03130%0.302CS..PPolyproline II helixtrans-60.6161.3163.900000112.6I994 A1067 E1068 Q1069I994-G1065 PolarHBondContact O-N 3.5Å; G1065-A1067 PolarHBondContact O-N 3.18Å; G1065-E1068 VanDerWaalsContact CA-OE2 3.27Å; G1065-E1068 WeakPolarHBondContact CA-OE2 3.27Å; G1065-E1068 PolarHBondContact O-N 2.99Å; G1065-Q1069 WeakPolarHBondContact O-CB 3.48Å; G1065-Q1069 PolarHBondContact O-N 3.46Å
1066Q85.4Confident82.4Confident99 Ų9956.1 Ų56.146%0.46333%0.331SS..Hα-helixtrans-69.8-32.7-173.1-173.66164.100112.8F1070Q1066-F1070 WeakPolarHBondContact O-CB 3.41Å; Q1066-F1070 PolarHBondContact O-N 2.99Å
1067A86.7Confident82.6Confident0 Ų051.6 Ų51.60%031%0.311CS..Hα-helixtrans-75.4-43.7175.200000110.8L997 I1005 G1065 F1070 L1071L997-A1067 HydrophobicContact CD1-CB 3.77Å; I1005-A1067 HydrophobicContact CB-CB 3.94Å; I1005-A1067 HydrophobicContact CD1-CB 4.31Å; I1005-A1067 HydrophobicContact CG2-CB 3.67Å; G1065-A1067 PolarHBondContact O-N 3.18Å; A1067-F1070 WeakPolarHBondContact O-CA 3.43Å; A1067-F1070 WeakPolarHBondContact O-CB 3.42Å; A1067-F1070 PolarHBondContact O-N 3.44Å; A1067-F1070 VanDerWaalsContact O-N 3.07Å; A1067-L1071 PolarHBondContact O-N 2.86Å
1068E88.4Confident82.7Confident1 Ų151.1 Ų51.11%0.00530%0.304CS..Hα-helixtrans-60.7-46.3176.8-68.378.2178.900111.6E995 V996 L997 I1052 L1064 G1065 F1070 L1071 V1072E995-E1068 WeakPolarHBondContact CA-OE1 3.29Å; V996-E1068 HydrophobicContact CB-CG 4.44Å; V996-E1068 PolarHBondContact N-OE1 3.15Å; L997-E1068 HydrophobicContact CD1-CG 4.02Å; L997-E1068 HydrophobicContact CG-CG 4.09Å; L997-E1068 PolarHBondContact N-OE1 2.8Å; L997-E1068 VanDerWaalsContact N-OE1 3.11Å; I1052-E1068 HydrophobicContact CD1-CB 4.06Å; I1052-E1068 HydrophobicContact CD1-CG 3.95Å; I1052-E1068 HydrophobicContact CG1-CB 4.26Å; I1052-E1068 HydrophobicContact CG1-CG 3.96Å; I1052-E1068 HydrophobicContact CG2-CB 4.15Å; L1064-E1068 HydrophobicContact CB-CB 4.3Å; L1064-E1068 HydrophobicContact CD2-CB 3.97Å; G1065-E1068 VanDerWaalsContact CA-OE2 3.27Å; G1065-E1068 WeakPolarHBondContact CA-OE2 3.27Å; G1065-E1068 PolarHBondContact O-N 2.99Å; E1068-F1070 VanDerWaalsContact C-N 3.25Å; E1068-F1070 PolarHBondContact O-N 2.7Å; E1068-L1071 PolarHBondContact O-N 3.13Å; E1068-V1072 WeakPolarHBondContact O-CG2 3.5Å; E1068-V1072 PolarHBondContact O-N 3.23Å
1069Q87.4Confident83Confident101 Ų10148.8 Ų48.847%0.47229%0.292SS..Hα-helixtrans-61.1-35.5173.7-179.3173.485.800111.6L1064 G1065 T1073L1064-Q1069 HydrophobicContact CB-CB 4.26Å; G1065-Q1069 WeakPolarHBondContact O-CB 3.48Å; G1065-Q1069 PolarHBondContact O-N 3.46Å; Q1069-T1073 WeakPolarHBondContact O-CB 3.37Å; Q1069-T1073 PolarHBondContact O-N 2.92Å; Q1069-T1073 PolarHBondContact O-OG1 2.68Å
1070F88Confident83.8Confident1 Ų145.1 Ų45.10%0.00428%0.276CS..Hα-helixtrans-69.7-46.8177.1178.9-118.1000112.3I1005 L1009 P1015 I1018 L1038 M1042 Q1066 A1067 E1068 V1072 T1073 L1074I1005-F1070 HydrophobicContact CG2-CD1 3.77Å; I1005-F1070 HydrophobicContact CG2-CE1 4.5Å; L1009-F1070 HydrophobicContact CD1-CB 4.09Å; L1009-F1070 HydrophobicContact CD1-CD1 4.25Å; L1009-F1070 HydrophobicContact CD1-CG 4.12Å; L1009-F1070 HydrophobicContact CD2-CD1 3.95Å; L1009-F1070 HydrophobicContact CD2-CD2 3.78Å; L1009-F1070 HydrophobicContact CD2-CE1 3.97Å; L1009-F1070 HydrophobicContact CD2-CE2 3.81Å; L1009-F1070 HydrophobicContact CD2-CG 3.83Å; L1009-F1070 HydrophobicContact CD2-CZ 3.88Å; L1009-F1070 HydrophobicContact CG-CD1 4.22Å; L1009-F1070 HydrophobicContact CG-CE1 4.44Å; L1009-F1070 HydrophobicContact CG-CG 4.36Å; P1015-F1070 HydrophobicContact CB-CD2 3.95Å; P1015-F1070 HydrophobicContact CB-CE2 4.39Å; P1015-F1070 HydrophobicContact CG-CD2 4.05Å; I1018-F1070 HydrophobicContact CD1-CE2 3.73Å; I1018-F1070 HydrophobicContact CD1-CZ 3.99Å; L1038-F1070 HydrophobicContact CD2-CE1 4.4Å; L1038-F1070 HydrophobicContact CD2-CZ 3.96Å; M1042-F1070 HydrophobicContact CB-CE1 4.32Å; M1042-F1070 HydrophobicContact CE-CD1 4.34Å; M1042-F1070 HydrophobicContact CE-CE1 3.7Å; M1042-F1070 HydrophobicContact CE-CZ 4.44Å; Q1066-F1070 WeakPolarHBondContact O-CB 3.41Å; Q1066-F1070 PolarHBondContact O-N 2.99Å; A1067-F1070 WeakPolarHBondContact O-CA 3.43Å; A1067-F1070 WeakPolarHBondContact O-CB 3.42Å; A1067-F1070 PolarHBondContact O-N 3.44Å; A1067-F1070 VanDerWaalsContact O-N 3.07Å; E1068-F1070 VanDerWaalsContact C-N 3.25Å; E1068-F1070 PolarHBondContact O-N 2.7Å; F1070-V1072 VanDerWaalsContact C-N 3.34Å; F1070-V1072 PolarHBondContact O-N 3.46Å; F1070-T1073 CarbonylContact O-C 3.59Å; F1070-T1073 WeakPolarHBondContact O-CA 3.49Å; F1070-T1073 WeakPolarHBondContact O-CB 3.43Å; F1070-T1073 PolarHBondContact O-N 3.13Å; F1070-L1074 HydrophobicContact CD1-CD1 4.19Å; F1070-L1074 HydrophobicContact CD2-CG 4.42Å; F1070-L1074 HydrophobicContact CE1-CD1 3.53Å; F1070-L1074 HydrophobicContact CE1-CG 4.23Å; F1070-L1074 HydrophobicContact CE2-CD1 4.12Å; F1070-L1074 HydrophobicContact CE2-CD2 4.21Å; F1070-L1074 HydrophobicContact CE2-CG 3.96Å; F1070-L1074 HydrophobicContact CZ-CD1 3.52Å; F1070-L1074 HydrophobicContact CZ-CD2 4.21Å; F1070-L1074 HydrophobicContact CZ-CG 3.89Å; F1070-L1074 PolarHBondContact O-N 3.09Å
1071L88.1Confident84.9Confident0 Ų043.1 Ų43.10%026%0.26CS..Hα-helixtrans-59.6-43.4176.5-67.7-165.3000111.8L997 I1005 P1044 E1048 I1052 A1067 E1068 T1073 L1074 S1075L997-L1071 HydrophobicContact CD1-CD1 3.76Å; L997-L1071 HydrophobicContact CD1-CG 4.35Å; L997-L1071 HydrophobicContact CD2-CD1 3.85Å; L997-L1071 HydrophobicContact CG-CD1 4.41Å; I1005-L1071 HydrophobicContact CD1-CD1 3.95Å; I1005-L1071 HydrophobicContact CD1-CD2 3.9Å; I1005-L1071 HydrophobicContact CD1-CG 4.03Å; P1044-L1071 HydrophobicContact CB-CB 4.17Å; P1044-L1071 HydrophobicContact CB-CD1 4.42Å; P1044-L1071 HydrophobicContact CB-CD2 4.08Å; P1044-L1071 HydrophobicContact CB-CG 4.44Å; E1048-L1071 HydrophobicContact CB-CD1 4.42Å; I1052-L1071 HydrophobicContact CD1-CB 4.39Å; I1052-L1071 HydrophobicContact CD1-CD1 4.32Å; A1067-L1071 PolarHBondContact O-N 2.86Å; E1068-L1071 PolarHBondContact O-N 3.13Å; L1071-T1073 VanDerWaalsContact C-N 3.28Å; L1071-T1073 PolarHBondContact O-N 2.93Å; L1071-L1074 PolarHBondContact O-N 3Å; L1071-L1074 VanDerWaalsContact O-N 3.1Å; L1071-S1075 PolarHBondContact O-N 2.95Å; L1071-S1075 PolarHBondContact O-OG 3.32Å
1072V85.4Confident86Confident37 Ų3740.7 Ų40.722%0.22423%0.231CC..Hα-helixtrans-63.8-31.5174.1172.70000112.5I1052 E1068 F1070 L1074 A1076I1052-V1072 HydrophobicContact CB-CG2 4.36Å; I1052-V1072 HydrophobicContact CG2-CG2 3.48Å; I1052-V1072 VanDerWaalsContact CG2-CG2 3.48Å; E1068-V1072 WeakPolarHBondContact O-CG2 3.5Å; E1068-V1072 PolarHBondContact O-N 3.23Å; F1070-V1072 VanDerWaalsContact C-N 3.34Å; F1070-V1072 PolarHBondContact O-N 3.46Å; V1072-L1074 VanDerWaalsContact C-N 3.32Å; V1072-A1076 PolarHBondContact O-N 2.86Å
1073T85.7Confident86.8Confident45 Ų4538.7 Ų38.728%0.27622%0.22SC..Hα-helixtrans-74.9-23.2175.5-57.80000112.5S1019 Q1069 F1070 L1071S1019-T1073 PolarHBondContact OG-O 3.09Å; Q1069-T1073 WeakPolarHBondContact O-CB 3.37Å; Q1069-T1073 PolarHBondContact O-N 2.92Å; Q1069-T1073 PolarHBondContact O-OG1 2.68Å; F1070-T1073 CarbonylContact O-C 3.59Å; F1070-T1073 WeakPolarHBondContact O-CA 3.49Å; F1070-T1073 WeakPolarHBondContact O-CB 3.43Å; F1070-T1073 PolarHBondContact O-N 3.13Å; L1071-T1073 VanDerWaalsContact C-N 3.28Å; L1071-T1073 PolarHBondContact O-N 2.93Å
1074L86.7Confident87.4Confident2 Ų236 Ų361%0.0120%0.203CC..Hα-helixtrans-87-42.9173.7-75.6-174.1000112.9I1018 I1022 L1038 P1044 F1070 L1071 V1072 A1076 I1077 L1080I1018-L1074 HydrophobicContact CG2-CD2 3.98Å; I1022-L1074 HydrophobicContact CD1-CD2 3.96Å; L1038-L1074 HydrophobicContact CD2-CD1 4.12Å; P1044-L1074 HydrophobicContact CG-CB 4.21Å; F1070-L1074 HydrophobicContact CD1-CD1 4.19Å; F1070-L1074 HydrophobicContact CD2-CG 4.42Å; F1070-L1074 HydrophobicContact CE1-CD1 3.53Å; F1070-L1074 HydrophobicContact CE1-CG 4.23Å; F1070-L1074 HydrophobicContact CE2-CD1 4.12Å; F1070-L1074 HydrophobicContact CE2-CD2 4.21Å; F1070-L1074 HydrophobicContact CE2-CG 3.96Å; F1070-L1074 HydrophobicContact CZ-CD1 3.52Å; F1070-L1074 HydrophobicContact CZ-CD2 4.21Å; F1070-L1074 HydrophobicContact CZ-CG 3.89Å; F1070-L1074 PolarHBondContact O-N 3.09Å; L1071-L1074 PolarHBondContact O-N 3Å; L1071-L1074 VanDerWaalsContact O-N 3.1Å; V1072-L1074 VanDerWaalsContact C-N 3.32Å; L1074-A1076 PolarHBondContact O-N 3.03Å; L1074-I1077 HydrophobicContact CD2-CD1 4.02Å; L1074-I1077 VanDerWaalsContact O-CB 3.24Å; L1074-I1077 WeakPolarHBondContact O-CB 3.37Å; L1074-I1077 WeakPolarHBondContact O-CG1 3.16Å; L1074-I1077 PolarHBondContact O-N 3.11Å; L1074-L1080 HydrophobicContact CB-CD2 3.87Å
1075S85Confident88Confident44 Ų4437.7 Ų37.731%0.30821%0.209SC..Hα-helixtrans-69.1-18.3-17959.40000113.6C1049 L1071 I1077C1049-S1075 WeakPolarHBondContact SG-CB 3.27Å; C1049-S1075 PolarHBondContact SG-OG 3.3Å; C1049-S1075 VanDerWaalsContact SG-OG 3.35Å; L1071-S1075 PolarHBondContact O-N 2.95Å; L1071-S1075 PolarHBondContact O-OG 3.32Å; S1075-I1077 PolarHBondContact O-N 3.42Å
1076A85.7Confident88.4Confident86 Ų8637.5 Ų37.571%0.71121%0.208SC*.THydrogen-bonded Turntrans-64.5-8.3165.600000114.3V1072 L1074V1072-A1076 PolarHBondContact O-N 2.86Å; L1074-A1076 PolarHBondContact O-N 3.03Å
1077I85.5Confident88.7Confident11 Ų1132.9 Ų32.96%0.05619%0.186CC..SBendtrans-93.9111.9178.5-53.9169.5000109.5I1022 L1023 L1074 S1075 H1079 L1080I1022-I1077 HydrophobicContact CB-CD1 4.38Å; I1022-I1077 HydrophobicContact CD1-CD1 4.02Å; I1022-I1077 HydrophobicContact CG2-CD1 4.38Å; I1022-I1077 HydrophobicContact CG2-CG2 4.17Å; L1023-I1077 HydrophobicContact CD2-CG2 4.08Å; L1023-I1077 HydrophobicContact CG-CG2 4.49Å; L1074-I1077 HydrophobicContact CD2-CD1 4.02Å; L1074-I1077 VanDerWaalsContact O-CB 3.24Å; L1074-I1077 WeakPolarHBondContact O-CB 3.37Å; L1074-I1077 WeakPolarHBondContact O-CG1 3.16Å; L1074-I1077 PolarHBondContact O-N 3.11Å; S1075-I1077 PolarHBondContact O-N 3.42Å; I1077-H1079 PolarHBondContact O-N 3.47Å; I1077-L1080 HydrophobicContact CB-CD1 4.34Å; I1077-L1080 HydrophobicContact CD1-CD1 4.11Å; I1077-L1080 HydrophobicContact CG2-CD1 4.42Å; I1077-L1080 PolarHBondContact O-N 2.89Å
1078S84.8Confident89.1Confident67 Ų6734.3 Ų34.347%0.46919%0.194SC..THydrogen-bonded Turntrans-58.7131.6178.660.80000112.2L1080 R1083S1078-L1080 VanDerWaalsContact C-N 3.31Å; S1078-L1080 PolarHBondContact O-N 2.98Å; S1078-R1083 WeakPolarHBondContact O-CD 3.39Å; S1078-R1083 PolarHBondContact O-NE 2.79Å
1079H87.6Confident89.4Confident84 Ų8435.1 Ų35.139%0.38920%0.197SC..THydrogen-bonded Turntrans55.140.3-179.4-46.8-76000113.7I1077 K1081 P1082 R1083 I1219I1077-H1079 PolarHBondContact O-N 3.47Å; H1079-K1081 PolarHBondContact O-N 2.81Å; H1079-P1082 HydrophobicContact CB-CB 4.26Å; H1079-P1082 HydrophobicContact CB-CG 4.23Å; H1079-P1082 WeakPolarHBondContact O-CD 3.5Å; H1079-R1083 WeakPolarHBondContact O-CG 3.24Å; H1079-R1083 PolarHBondContact O-N 3.1Å; H1079-I1219 HydrophobicContact CB-CG1 3.91Å
1080L89.8Confident89.7Confident12 Ų1234.1 Ų34.16%0.06319%0.191CC..Hα-helixtrans-45.2-53-178.417662.8000114I1022 P1044 L1074 I1077 S1078 R1083 L1084I1022-L1080 HydrophobicContact CD1-CD1 4.02Å; I1022-L1080 HydrophobicContact CG2-CD1 4.24Å; P1044-L1080 HydrophobicContact CG-CD2 3.84Å; L1074-L1080 HydrophobicContact CB-CD2 3.87Å; I1077-L1080 HydrophobicContact CB-CD1 4.34Å; I1077-L1080 HydrophobicContact CD1-CD1 4.11Å; I1077-L1080 HydrophobicContact CG2-CD1 4.42Å; I1077-L1080 PolarHBondContact O-N 2.89Å; S1078-L1080 VanDerWaalsContact C-N 3.31Å; S1078-L1080 PolarHBondContact O-N 2.98Å; L1080-R1083 PolarHBondContact O-N 3.11Å; L1080-L1084 HydrophobicContact CD1-CD1 3.8Å; L1080-L1084 HydrophobicContact CD1-CG 4.13Å; L1080-L1084 HydrophobicContact CG-CD1 4.02Å; L1080-L1084 WeakPolarHBondContact O-CG 3.47Å; L1080-L1084 PolarHBondContact O-N 2.8Å
1081K91.3Very high89.8Confident101 Ų10137 Ų3744%0.43921%0.206SC..Hα-helixtrans-60.6-57.4-179.5171.7173.1177.5-178.10111.7L1039 L1043 H1079 R1083 L1084 E1085L1039-K1081 HydrophobicContact CD2-CG 4.47Å; L1043-K1081 HydrophobicContact CD1-CB 3.99Å; L1043-K1081 HydrophobicContact CD1-CD 4.02Å; L1043-K1081 HydrophobicContact CD1-CG 4.04Å; L1043-K1081 HydrophobicContact CD2-CB 4.37Å; H1079-K1081 PolarHBondContact O-N 2.81Å; K1081-R1083 VanDerWaalsContact C-N 3.26Å; K1081-R1083 PolarHBondContact O-N 2.79Å; K1081-L1084 PolarHBondContact O-N 3.2Å; K1081-E1085 WeakPolarHBondContact CE-OE1 3.19Å; K1081-E1085 WeakPolarHBondContact CE-OE2 3.45Å; K1081-E1085 HydrophobicContact CG-CG 4.39Å; K1081-E1085 WeakPolarHBondContact CG-OE2 3.34Å; K1081-E1085 IonicContact NZ-OE1 2.68Å; K1081-E1085 PolarHBondContact NZ-OE1 3.42Å; K1081-E1085 PolarHBondContact O-N 2.96Å
1082P92.4Very high90.1Very high20 Ų2038.3 Ų38.313%0.1321%0.213CC..Hα-helixtrans-50-39.4171.2-3235.1000115H1079 L1086 H1215 L1218 I1219H1079-P1082 HydrophobicContact CB-CB 4.26Å; H1079-P1082 HydrophobicContact CB-CG 4.23Å; H1079-P1082 WeakPolarHBondContact O-CD 3.5Å; P1082-L1086 WeakPolarHBondContact O-CB 3.16Å; P1082-L1086 PolarHBondContact O-N 3.28Å; P1082-H1215 HydrophobicContact CB-CB 3.94Å; P1082-L1218 HydrophobicContact CB-CD2 4.45Å; P1082-L1218 HydrophobicContact CG-CD2 3.88Å; P1082-I1219 HydrophobicContact CB-CD1 4.02Å; P1082-I1219 HydrophobicContact CB-CG1 4.08Å
1083R92Very high90.6Very high14 Ų1436.5 Ų36.55%0.05320%0.203CC..Hα-helixtrans-64-43.5177.1-76.2-179.1-174.7-91.5-1112.2I1022 S1078 H1079 L1080 K1081 W1087 I1219I1022-R1083 HydrophobicContact CG2-CB 4.22Å; S1078-R1083 WeakPolarHBondContact O-CD 3.39Å; S1078-R1083 PolarHBondContact O-NE 2.79Å; H1079-R1083 WeakPolarHBondContact O-CG 3.24Å; H1079-R1083 PolarHBondContact O-N 3.1Å; L1080-R1083 PolarHBondContact O-N 3.11Å; K1081-R1083 VanDerWaalsContact C-N 3.26Å; K1081-R1083 PolarHBondContact O-N 2.79Å; R1083-W1087 VanDerWaalsContact O-CB 3.23Å; R1083-W1087 WeakPolarHBondContact O-CB 3.28Å; R1083-W1087 PolarHBondContact O-N 3.11Å; R1083-I1219 HydrophobicContact CB-CD1 4.34Å; R1083-I1219 HydrophobicContact CG-CD1 3.74Å; R1083-I1219 HydrophobicContact CG-CG1 3.98Å; R1083-I1219 HydrophobicContact CG-CG2 4.01Å
1084L92.6Very high91Very high3 Ų339.7 Ų39.72%0.01621%0.214CC..Hα-helixtrans-70.1-41.9179.2-69.7170.1000111.4I1022 I1035 L1038 L1039 L1080 K1081 W1087 L1088I1022-L1084 HydrophobicContact CD1-CD2 4.05Å; I1022-L1084 HydrophobicContact CG1-CD2 4.03Å; I1022-L1084 HydrophobicContact CG2-CD2 4.48Å; I1035-L1084 HydrophobicContact CG2-CB 4.23Å; I1035-L1084 HydrophobicContact CG2-CD2 4.06Å; I1035-L1084 WeakPolarHBondContact CG2-O 3.35Å; L1038-L1084 HydrophobicContact CB-CD1 4.11Å; L1038-L1084 HydrophobicContact CB-CD2 4.42Å; L1038-L1084 HydrophobicContact CD1-CD2 4.08Å; L1039-L1084 HydrophobicContact CD1-CB 4.16Å; L1039-L1084 HydrophobicContact CD2-CB 3.61Å; L1039-L1084 HydrophobicContact CD2-CD1 4.15Å; L1039-L1084 HydrophobicContact CG-CB 3.79Å; L1039-L1084 HydrophobicContact CG-CD1 4.31Å; L1080-L1084 HydrophobicContact CD1-CD1 3.8Å; L1080-L1084 HydrophobicContact CD1-CG 4.13Å; L1080-L1084 HydrophobicContact CG-CD1 4.02Å; L1080-L1084 WeakPolarHBondContact O-CG 3.47Å; L1080-L1084 PolarHBondContact O-N 2.8Å; K1081-L1084 PolarHBondContact O-N 3.2Å; L1084-W1087 PolarHBondContact O-N 2.64Å; L1084-L1088 WeakPolarHBondContact O-CB 3.27Å; L1084-L1088 PolarHBondContact O-N 3.27Å
1085E94.4Very high91.4Very high60 Ų6044.5 Ų44.528%0.2824%0.237SC..Hα-helixtrans-64.7-45.9177.1-70.8173.5138.900111.6L1039 K1081 W1087 L1088 F1089 H1215L1039-E1085 HydrophobicContact CD1-CG 4.22Å; L1039-E1085 HydrophobicContact CD2-CG 3.83Å; K1081-E1085 WeakPolarHBondContact CE-OE1 3.19Å; K1081-E1085 WeakPolarHBondContact CE-OE2 3.45Å; K1081-E1085 HydrophobicContact CG-CG 4.39Å; K1081-E1085 WeakPolarHBondContact CG-OE2 3.34Å; K1081-E1085 IonicContact NZ-OE1 2.68Å; K1081-E1085 PolarHBondContact NZ-OE1 3.42Å; K1081-E1085 PolarHBondContact O-N 2.96Å; E1085-W1087 VanDerWaalsContact C-N 3.34Å; E1085-W1087 PolarHBondContact O-N 3.29Å; E1085-L1088 PolarHBondContact O-N 3.05Å; E1085-F1089 WeakPolarHBondContact O-CB 3.45Å; E1085-F1089 PolarHBondContact O-N 3.4Å; E1085-H1215 IonicContact OE2-CE1 2.7Å; E1085-H1215 IonicContact OE2-NE2 2.65Å
1086L93.5Very high91.9Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-61.6-38.9173.6172.656000112.7M1025 P1082 K1090 A1212 H1215 I1219 L1232 L1236M1025-L1086 HydrophobicContact CE-CB 4.28Å; M1025-L1086 HydrophobicContact CE-CD2 3.88Å; M1025-L1086 HydrophobicContact CE-CG 3.84Å; P1082-L1086 WeakPolarHBondContact O-CB 3.16Å; P1082-L1086 PolarHBondContact O-N 3.28Å; L1086-K1090 WeakPolarHBondContact O-CB 3.44Å; L1086-K1090 PolarHBondContact O-N 3.15Å; L1086-K1090 VanDerWaalsContact O-N 3.09Å; L1086-A1212 HydrophobicContact CD1-CB 3.9Å; L1086-H1215 HydrophobicContact CB-CB 4.12Å; L1086-I1219 HydrophobicContact CD2-CD1 3.76Å; L1086-L1232 HydrophobicContact CD2-CD2 3.97Å; L1086-L1232 HydrophobicContact CG-CD2 4.47Å; L1086-L1236 HydrophobicContact CD1-CD1 3.87Å; L1086-L1236 HydrophobicContact CD1-CD2 3.87Å; L1086-L1236 HydrophobicContact CD1-CG 4.38Å
1087W92.6Very high92.4Very high2 Ų241.1 Ų41.11%0.00820%0.203CC..Hα-helixtrans-71.6-40.3178.3-172.210.8000111.8A1021 I1022 M1025 D1026 I1030 I1035 R1083 L1084 E1085 K1090 L1091A1021-W1087 HydrophobicContact CB-CH2 4.27Å; I1022-W1087 HydrophobicContact CB-CZ3 4.4Å; I1022-W1087 HydrophobicContact CG1-CZ3 3.95Å; M1025-W1087 VanDerWaalsContact C-CZ2 3.45Å; M1025-W1087 HydrophobicContact CB-CD2 3.98Å; M1025-W1087 HydrophobicContact CB-CG 3.92Å; M1025-W1087 HydrophobicContact CE-CB 4.09Å; M1025-W1087 HydrophobicContact CG-CB 4.03Å; M1025-W1087 HydrophobicContact CG-CD2 4.03Å; M1025-W1087 HydrophobicContact CG-CG 3.78Å; M1025-W1087 HydrophobicContact SD-CB 4.15Å; M1025-W1087 HydrophobicContact SD-CG 4.35Å; D1026-W1087 VanDerWaalsContact C-CZ2 3.45Å; D1026-W1087 WeakPolarHBondContact O-CZ2 3.43Å; I1030-W1087 HydrophobicContact CB-CH2 3.81Å; I1030-W1087 HydrophobicContact CB-CZ2 4.5Å; I1030-W1087 HydrophobicContact CB-CZ3 4.47Å; I1030-W1087 HydrophobicContact CD1-CH2 4.23Å; I1030-W1087 HydrophobicContact CD1-CZ3 4.28Å; I1030-W1087 HydrophobicContact CG1-CH2 4.28Å; I1035-W1087 HydrophobicContact CD1-CB 4.44Å; I1035-W1087 HydrophobicContact CD1-CD2 3.43Å; I1035-W1087 VanDerWaalsContact CD1-CD2 3.43Å; I1035-W1087 HydrophobicContact CD1-CE3 3.75Å; I1035-W1087 HydrophobicContact CD1-CG 3.77Å; I1035-W1087 HydrophobicContact CD1-CH2 4.31Å; I1035-W1087 HydrophobicContact CD1-CZ2 4.01Å; I1035-W1087 HydrophobicContact CD1-CZ3 4.18Å; I1035-W1087 HydrophobicContact CG1-CD2 4.26Å; I1035-W1087 HydrophobicContact CG1-CE3 4.06Å; I1035-W1087 HydrophobicContact CG1-CZ3 4.21Å; R1083-W1087 VanDerWaalsContact O-CB 3.23Å; R1083-W1087 WeakPolarHBondContact O-CB 3.28Å; R1083-W1087 PolarHBondContact O-N 3.11Å; L1084-W1087 PolarHBondContact O-N 2.64Å; E1085-W1087 VanDerWaalsContact C-N 3.34Å; E1085-W1087 PolarHBondContact O-N 3.29Å; W1087-K1090 WeakPolarHBondContact O-CB 3.39Å; W1087-K1090 PolarHBondContact O-N 2.77Å; W1087-L1091 WeakPolarHBondContact O-CG 3.31Å; W1087-L1091 PolarHBondContact O-N 2.95Å; W1087-L1091 VanDerWaalsContact O-N 3.14Å
1088L93.3Very high92.9Very high29 Ų2945.3 Ų45.315%0.15222%0.221CC..Hα-helixtrans-61.4-48.2174.5-175.859.5000111.2R1032 I1035 L1039 L1084 E1085 K1090 L1091 D1092R1032-L1088 HydrophobicContact CG-CD1 3.63Å; I1035-L1088 HydrophobicContact CG2-CB 3.97Å; L1039-L1088 HydrophobicContact CD1-CD2 3.92Å; L1084-L1088 WeakPolarHBondContact O-CB 3.27Å; L1084-L1088 PolarHBondContact O-N 3.27Å; E1085-L1088 PolarHBondContact O-N 3.05Å; L1088-K1090 VanDerWaalsContact C-N 3.29Å; L1088-K1090 PolarHBondContact O-N 3.27Å; L1088-L1091 PolarHBondContact O-N 3.49Å; L1088-L1091 VanDerWaalsContact O-N 3.09Å; L1088-D1092 PolarHBondContact O-N 3.13Å
1089F95.4Very high93.4Very high18 Ų1845.6 Ų45.68%0.07922%0.215CC..Hα-helixtrans-52.6-46.6173.5172.5-93.9000111.9E1085 L1091 D1092 Y1093 L1205 D1208 S1209 A1212 F1235 L1236 A1239E1085-F1089 WeakPolarHBondContact O-CB 3.45Å; E1085-F1089 PolarHBondContact O-N 3.4Å; F1089-L1091 VanDerWaalsContact C-N 3.3Å; F1089-L1091 PolarHBondContact O-N 3.4Å; F1089-D1092 PolarHBondContact O-N 3.12Å; F1089-Y1093 HydrophobicContact CE1-CD2 4.06Å; F1089-Y1093 AromaticContact CE2-CD2 3.91Å; F1089-Y1093 HydrophobicContact CE2-CD2 3.91Å; F1089-Y1093 AromaticContact CZ-CD2 3.44Å; F1089-Y1093 HydrophobicContact CZ-CD2 3.44Å; F1089-Y1093 VanDerWaalsContact CZ-CD2 3.44Å; F1089-Y1093 HydrophobicContact CZ-CE2 4.03Å; F1089-Y1093 HydrophobicContact CZ-CG 4.42Å; F1089-Y1093 WeakPolarHBondContact O-CB 3.47Å; F1089-Y1093 PolarHBondContact O-N 3.35Å; F1089-L1205 HydrophobicContact CE2-CD1 4.26Å; F1089-D1208 HydrophobicContact CD2-CB 4Å; F1089-D1208 HydrophobicContact CE2-CB 4.3Å; F1089-S1209 WeakPolarHBondContact CE2-OG 3.48Å; F1089-S1209 VanDerWaalsContact CZ-OG 3.28Å; F1089-S1209 WeakPolarHBondContact CZ-OG 3.47Å; F1089-A1212 HydrophobicContact CB-CB 4.33Å; F1089-A1212 HydrophobicContact CD1-CB 3.45Å; F1089-A1212 VanDerWaalsContact CD1-CB 3.45Å; F1089-A1212 HydrophobicContact CD2-CB 4.3Å; F1089-A1212 HydrophobicContact CE1-CB 3.75Å; F1089-A1212 HydrophobicContact CG-CB 3.76Å; F1089-A1212 HydrophobicContact CZ-CB 4.28Å; F1089-F1235 HydrophobicContact CD1-CE1 4.21Å; F1089-F1235 AromaticContact CE1-CE1 3.98Å; F1089-F1235 HydrophobicContact CE1-CE1 3.98Å; F1089-F1235 HydrophobicContact CE1-CZ 4.37Å; F1089-L1236 HydrophobicContact CD1-CD2 3.99Å; F1089-L1236 HydrophobicContact CE1-CD2 3.67Å; F1089-A1239 HydrophobicContact CE1-CB 4.46Å; F1089-A1239 HydrophobicContact CZ-CB 4.44Å
1090K92.9Very high93.9Very high80 Ų8041.7 Ų41.735%0.34820%0.197SC..Hα-helixtrans-60.4-35.2179.1-175.2-169.5179.7-172.10113.4L1086 W1087 L1088 L1232 F1235L1086-K1090 WeakPolarHBondContact O-CB 3.44Å; L1086-K1090 PolarHBondContact O-N 3.15Å; L1086-K1090 VanDerWaalsContact O-N 3.09Å; W1087-K1090 WeakPolarHBondContact O-CB 3.39Å; W1087-K1090 PolarHBondContact O-N 2.77Å; L1088-K1090 VanDerWaalsContact C-N 3.29Å; L1088-K1090 PolarHBondContact O-N 3.27Å; K1090-L1232 HydrophobicContact CD-CD1 3.85Å; K1090-F1235 HydrophobicContact CB-CE1 3.92Å; K1090-F1235 HydrophobicContact CB-CZ 4.27Å; K1090-F1235 HydrophobicContact CG-CD1 4.1Å; K1090-F1235 HydrophobicContact CG-CE1 3.73Å; K1090-F1235 HydrophobicContact CG-CZ 3.96Å
1091L92.1Very high94.2Very high62 Ų6241.3 Ų41.333%0.32520%0.195SC..Hα-helixtrans-78.2-39.6178.3-66.1179.3000112.4H1027 R1032 I1035 W1087 L1088 F1089H1027-L1091 HydrophobicContact CB-CD2 4.02Å; R1032-L1091 HydrophobicContact CB-CD1 4.46Å; I1035-L1091 HydrophobicContact CD1-CD1 3.56Å; W1087-L1091 WeakPolarHBondContact O-CG 3.31Å; W1087-L1091 PolarHBondContact O-N 2.95Å; W1087-L1091 VanDerWaalsContact O-N 3.14Å; L1088-L1091 PolarHBondContact O-N 3.49Å; L1088-L1091 VanDerWaalsContact O-N 3.09Å; F1089-L1091 VanDerWaalsContact C-N 3.3Å; F1089-L1091 PolarHBondContact O-N 3.4Å
1092D93.8Very high94.4Very high27 Ų2740.8 Ų40.814%0.14419%0.194CC..Hα-helixtrans-82.4-22.4-174.2-73.4-8.6000113.4R1032 L1088 F1089 E1094 Q1095 N1096R1032-D1092 WeakPolarHBondContact CD-OD1 3.47Å; R1032-D1092 IonicContact CZ-OD1 3.6Å; R1032-D1092 IonicContact CZ-OD2 2.72Å; R1032-D1092 IonicContact NE-OD1 2.8Å; R1032-D1092 IonicContact NH1-OD1 3.68Å; R1032-D1092 PolarHBondContact NH1-OD1 2.97Å; R1032-D1092 IonicContact NH1-OD2 3.87Å; R1032-D1092 PolarHBondContact NH1-OD2 3.17Å; R1032-D1092 IonicContact NH2-OD2 3.75Å; L1088-D1092 PolarHBondContact O-N 3.13Å; F1089-D1092 PolarHBondContact O-N 3.12Å; D1092-E1094 PolarHBondContact O-N 2.62Å; D1092-Q1095 PolarHBondContact O-N 3.29Å; D1092-N1096 PolarHBondContact O-N 3.47Å; D1092-N1096 PolarHBondContact O-ND2 3.25Å
1093Y95.5Very high94.7Very high0 Ų040.7 Ų40.70%019%0.194CC..Hα-helixtrans-52-48.8-170.7-178.3-84000113.8F1089 Q1095 N1096 E1097 L1205 F1235 A1239 R1242 V1243F1089-Y1093 HydrophobicContact CE1-CD2 4.06Å; F1089-Y1093 AromaticContact CE2-CD2 3.91Å; F1089-Y1093 HydrophobicContact CE2-CD2 3.91Å; F1089-Y1093 AromaticContact CZ-CD2 3.44Å; F1089-Y1093 HydrophobicContact CZ-CD2 3.44Å; F1089-Y1093 VanDerWaalsContact CZ-CD2 3.44Å; F1089-Y1093 HydrophobicContact CZ-CE2 4.03Å; F1089-Y1093 HydrophobicContact CZ-CG 4.42Å; F1089-Y1093 WeakPolarHBondContact O-CB 3.47Å; F1089-Y1093 PolarHBondContact O-N 3.35Å; Y1093-Q1095 VanDerWaalsContact C-N 3.27Å; Y1093-Q1095 PolarHBondContact O-N 2.84Å; Y1093-N1096 PolarHBondContact O-N 3.08Å; Y1093-E1097 HydrophobicContact CD1-CB 4.37Å; Y1093-E1097 HydrophobicContact CE1-CB 3.92Å; Y1093-E1097 HydrophobicContact CE1-CG 4.36Å; Y1093-E1097 WeakPolarHBondContact O-CB 3.49Å; Y1093-E1097 PolarHBondContact O-N 3.41Å; Y1093-L1205 HydrophobicContact CD2-CD1 4Å; Y1093-L1205 HydrophobicContact CE2-CD1 4.17Å; Y1093-L1205 HydrophobicContact CE2-CD2 4.49Å; Y1093-L1205 HydrophobicContact CE2-CG 4.46Å; Y1093-F1235 HydrophobicContact CG-CZ 4.18Å; Y1093-A1239 HydrophobicContact CD2-CB 3.98Å; Y1093-A1239 HydrophobicContact CE1-CB 4.31Å; Y1093-A1239 HydrophobicContact CE2-CB 3.54Å; Y1093-A1239 HydrophobicContact CG-CB 4.5Å; Y1093-A1239 WeakPolarHBondContact OH-CA 3.47Å; Y1093-A1239 PolarHBondContact OH-O 2.8Å; Y1093-R1242 WeakPolarHBondContact OH-CB 3.25Å; Y1093-V1243 HydrophobicContact CE2-CG2 3.84Å
1094E94.8Very high94.9Very high111 Ų11140.1 Ų40.152%0.51919%0.192SC..Hα-helixtrans-66.6-30.9-174-60.6-149.2105.400112.8K795 D1092 K1098K795-E1094 WeakPolarHBondContact CE-OE1 3.2Å; K795-E1094 IonicContact NZ-OE1 2.85Å; K795-E1094 PolarHBondContact NZ-OE1 3.5Å; D1092-E1094 PolarHBondContact O-N 2.62Å; E1094-K1098 WeakPolarHBondContact O-CB 3.34Å; E1094-K1098 PolarHBondContact O-N 3.18Å; E1094-K1098 VanDerWaalsContact O-N 3.15Å
1095Q95.3Very high95.1Very high104 Ų10441.4 Ų41.449%0.48620%0.198SC..Hα-helixtrans-75.7-41.7175.1-176.461.227.900110.7D1092 Y1093 K1098 E1099D1092-Q1095 PolarHBondContact O-N 3.29Å; Y1093-Q1095 VanDerWaalsContact C-N 3.27Å; Y1093-Q1095 PolarHBondContact O-N 2.84Å; Q1095-K1098 PolarHBondContact O-N 3.49Å; Q1095-E1099 WeakPolarHBondContact CG-OE1 3.27Å; Q1095-E1099 PolarHBondContact NE2-OE1 2.97Å; Q1095-E1099 WeakPolarHBondContact O-CB 3.2Å; Q1095-E1099 WeakPolarHBondContact O-CG 3.33Å; Q1095-E1099 PolarHBondContact O-N 2.8Å
1096N95.5Very high95.2Very high55 Ų5539.8 Ų39.829%0.29419%0.192SC..Hα-helixtrans-64.5-42.2176.6-66.6-28.5000112.4D1092 Y1093 I1100 L1205D1092-N1096 PolarHBondContact O-N 3.47Å; D1092-N1096 PolarHBondContact O-ND2 3.25Å; Y1093-N1096 PolarHBondContact O-N 3.08Å; N1096-I1100 WeakPolarHBondContact O-CD1 3.4Å; N1096-I1100 WeakPolarHBondContact O-CG1 3.39Å; N1096-I1100 PolarHBondContact O-N 3.12Å; N1096-L1205 HydrophobicContact CB-CD1 3.87Å; N1096-L1205 HydrophobicContact CB-CD2 4.32Å
1097E96.2Very high95.4Very high4 Ų439.9 Ų39.92%0.01919%0.192CC..Hα-helixtrans-55.5-52170.7173.4-167.6-157.500110.1L794 K795 Y1093 E1099 I1100 A1101 R1242 L1246L794-E1097 HydrophobicContact CD2-CG 3.94Å; K795-E1097 WeakPolarHBondContact CE-OE2 3.46Å; K795-E1097 IonicContact NZ-OE1 2.78Å; K795-E1097 IonicContact NZ-OE2 3.11Å; K795-E1097 PolarHBondContact NZ-OE2 3.27Å; Y1093-E1097 HydrophobicContact CD1-CB 4.37Å; Y1093-E1097 HydrophobicContact CE1-CB 3.92Å; Y1093-E1097 HydrophobicContact CE1-CG 4.36Å; Y1093-E1097 WeakPolarHBondContact O-CB 3.49Å; Y1093-E1097 PolarHBondContact O-N 3.41Å; E1097-E1099 PolarHBondContact O-N 3.25Å; E1097-I1100 PolarHBondContact O-N 3.43Å; E1097-I1100 VanDerWaalsContact O-N 3.13Å; E1097-A1101 VanDerWaalsContact O-CB 3.3Å; E1097-A1101 WeakPolarHBondContact O-CB 3.28Å; E1097-A1101 PolarHBondContact O-N 2.84Å; E1097-R1242 IonicContact OE1-CZ 3.54Å; E1097-R1242 IonicContact OE1-NH1 2.75Å; E1097-R1242 PolarHBondContact OE1-NH1 3.35Å; E1097-R1242 IonicContact OE2-NH1 3.74Å; E1097-R1242 PolarHBondContact OE2-NH1 3Å; E1097-L1246 HydrophobicContact CG-CD1 4.35Å
1098K95.6Very high95.6Very high98 Ų9840.7 Ų40.743%0.42620%0.196SC..Hα-helixtrans-62.2-43.8-175.8-177.2170.7-179.4165.30112.6E1094 Q1095 I1100 A1101 E1102E1094-K1098 WeakPolarHBondContact O-CB 3.34Å; E1094-K1098 PolarHBondContact O-N 3.18Å; E1094-K1098 VanDerWaalsContact O-N 3.15Å; Q1095-K1098 PolarHBondContact O-N 3.49Å; K1098-I1100 PolarHBondContact O-N 3.15Å; K1098-I1100 VanDerWaalsContact O-N 3.13Å; K1098-A1101 PolarHBondContact O-N 3.28Å; K1098-E1102 WeakPolarHBondContact CE-OE1 3.27Å; K1098-E1102 WeakPolarHBondContact CE-OE2 3.23Å; K1098-E1102 HydrophobicContact CG-CG 4.13Å; K1098-E1102 IonicContact NZ-OE1 2.72Å; K1098-E1102 PolarHBondContact NZ-OE1 2.95Å; K1098-E1102 VanDerWaalsContact NZ-OE1 3.09Å; K1098-E1102 IonicContact NZ-OE2 2.8Å; K1098-E1102 PolarHBondContact O-N 2.9Å
1099E95.3Very high95.7Very high74 Ų7442.3 Ų42.335%0.34620%0.203SC..Hα-helixtrans-65.1-10.8177.2-75.7-176.8-150.500114.2Q1095 E1097 P1103 R1201Q1095-E1099 WeakPolarHBondContact CG-OE1 3.27Å; Q1095-E1099 PolarHBondContact NE2-OE1 2.97Å; Q1095-E1099 WeakPolarHBondContact O-CB 3.2Å; Q1095-E1099 WeakPolarHBondContact O-CG 3.33Å; Q1095-E1099 PolarHBondContact O-N 2.8Å; E1097-E1099 PolarHBondContact O-N 3.25Å; E1099-P1103 WeakPolarHBondContact O-CG 3.49Å; E1099-R1201 IonicContact OE2-CZ 2.72Å; E1099-R1201 IonicContact OE2-NH1 3.65Å; E1099-R1201 PolarHBondContact OE2-NH1 3.36Å; E1099-R1201 IonicContact OE2-NH2 3.43Å
1100I97.1Very high95.8Very high2 Ų241.6 Ų41.61%0.0120%0.2CC..Hα-helixtrans-104.6-39.9172-57164.1000110.8N1096 E1097 K1098 L1104 L1198 R1201 L1202 L1205 L1246N1096-I1100 WeakPolarHBondContact O-CD1 3.4Å; N1096-I1100 WeakPolarHBondContact O-CG1 3.39Å; N1096-I1100 PolarHBondContact O-N 3.12Å; E1097-I1100 PolarHBondContact O-N 3.43Å; E1097-I1100 VanDerWaalsContact O-N 3.13Å; K1098-I1100 PolarHBondContact O-N 3.15Å; K1098-I1100 VanDerWaalsContact O-N 3.13Å; I1100-L1104 HydrophobicContact CG2-CD1 3.99Å; I1100-L1104 WeakPolarHBondContact O-CG 3.45Å; I1100-L1104 PolarHBondContact O-N 3.38Å; I1100-L1198 HydrophobicContact CB-CD1 4.41Å; I1100-L1198 HydrophobicContact CG1-CD1 4.47Å; I1100-L1198 HydrophobicContact CG2-CD1 4.2Å; I1100-R1201 HydrophobicContact CD1-CB 4.22Å; I1100-R1201 HydrophobicContact CG1-CB 4.23Å; I1100-L1202 HydrophobicContact CD1-CB 4.12Å; I1100-L1202 HydrophobicContact CD1-CD1 4.22Å; I1100-L1202 HydrophobicContact CG2-CB 4.49Å; I1100-L1202 HydrophobicContact CG2-CD1 4.48Å; I1100-L1205 HydrophobicContact CD1-CB 4.4Å; I1100-L1205 HydrophobicContact CD1-CD2 3.86Å; I1100-L1246 HydrophobicContact CB-CD1 4.48Å; I1100-L1246 HydrophobicContact CB-CD2 4.5Å; I1100-L1246 HydrophobicContact CG2-CD2 4.1Å
1101A96.7Very high95.9Very high3 Ų338 Ų383%0.02519%0.185CC..Hα-helixtrans-71.5-40.4-175.100000113.8L794 L797 E1097 K1098 L1104 N1105 L1246L794-A1101 HydrophobicContact CD2-CB 3.62Å; L797-A1101 HydrophobicContact CD1-CB 3.77Å; E1097-A1101 VanDerWaalsContact O-CB 3.3Å; E1097-A1101 WeakPolarHBondContact O-CB 3.28Å; E1097-A1101 PolarHBondContact O-N 2.84Å; K1098-A1101 PolarHBondContact O-N 3.28Å; A1101-L1104 PolarHBondContact O-N 2.85Å; A1101-N1105 PolarHBondContact O-N 3.11Å; A1101-L1246 HydrophobicContact CB-CD2 4.01Å
1102E96.5Very high96.1Very high91 Ų9137.4 Ų37.443%0.42518%0.181SC..Hα-helixtrans-64-48.8179.2-77.8-175.5150.500112.1K1098 L1104 N1105 D1106K1098-E1102 WeakPolarHBondContact CE-OE1 3.27Å; K1098-E1102 WeakPolarHBondContact CE-OE2 3.23Å; K1098-E1102 HydrophobicContact CG-CG 4.13Å; K1098-E1102 IonicContact NZ-OE1 2.72Å; K1098-E1102 PolarHBondContact NZ-OE1 2.95Å; K1098-E1102 VanDerWaalsContact NZ-OE1 3.09Å; K1098-E1102 IonicContact NZ-OE2 2.8Å; K1098-E1102 PolarHBondContact O-N 2.9Å; E1102-L1104 VanDerWaalsContact C-N 3.31Å; E1102-L1104 PolarHBondContact O-N 3.01Å; E1102-N1105 PolarHBondContact O-N 2.75Å; E1102-D1106 PolarHBondContact O-N 2.95Å
1103P97.1Very high96.2Very high18 Ų1838.5 Ų38.512%0.11719%0.186CC..Hα-helixtrans-55.6-39.8172.7-30.237.3000114.6E1099 D1106 L1107 V1193 W1195 L1198E1099-P1103 WeakPolarHBondContact O-CG 3.49Å; P1103-D1106 PolarHBondContact O-N 3.3Å; P1103-L1107 WeakPolarHBondContact O-CB 3.36Å; P1103-L1107 PolarHBondContact O-N 3.44Å; P1103-V1193 HydrophobicContact CB-CG1 3.99Å; P1103-V1193 HydrophobicContact CB-CG2 4.07Å; P1103-V1193 HydrophobicContact CG-CG1 4.24Å; P1103-V1193 HydrophobicContact CG-CG2 4.16Å; P1103-W1195 HydrophobicContact CB-CH2 4.18Å; P1103-W1195 WeakPolarHBondContact O-CH2 3.48Å; P1103-L1198 HydrophobicContact CB-CD1 4.18Å; P1103-L1198 HydrophobicContact CB-CD2 4.39Å; P1103-L1198 HydrophobicContact CG-CD1 4.22Å
1104L97Very high96.1Very high1 Ų139.1 Ų39.11%0.00519%0.189CC..Hα-helixtrans-69.7-36.8179.2-72.8171.4000112.4F799 I1100 A1101 E1102 K1108 L1198 L1246 V1249 Y1250 M1253F799-L1104 HydrophobicContact CE1-CB 4.33Å; F799-L1104 HydrophobicContact CZ-CB 4.33Å; I1100-L1104 HydrophobicContact CG2-CD1 3.99Å; I1100-L1104 WeakPolarHBondContact O-CG 3.45Å; I1100-L1104 PolarHBondContact O-N 3.38Å; A1101-L1104 PolarHBondContact O-N 2.85Å; E1102-L1104 VanDerWaalsContact C-N 3.31Å; E1102-L1104 PolarHBondContact O-N 3.01Å; L1104-K1108 PolarHBondContact O-N 3.47Å; L1104-K1108 VanDerWaalsContact O-N 3.09Å; L1104-L1198 HydrophobicContact CD2-CD2 4.35Å; L1104-L1198 HydrophobicContact CG-CD2 4.45Å; L1104-L1246 HydrophobicContact CD1-CD2 4.25Å; L1104-V1249 HydrophobicContact CB-CG1 4.15Å; L1104-V1249 HydrophobicContact CD1-CG1 4.12Å; L1104-Y1250 HydrophobicContact CD2-CD2 4.09Å; L1104-M1253 HydrophobicContact CD2-CB 4.34Å
1105N96.8Very high96Very high30 Ų3036.9 Ų36.916%0.1618%0.18CC..Hα-helixtrans-68.1-42170.9175.672.7000111.6L797 F799 A1101 E1102 L1107 K1108 Q1109L797-N1105 HydrophobicContact CD1-CB 4.33Å; L797-N1105 HydrophobicContact CD2-CB 4.12Å; F799-N1105 HydrophobicContact CE1-CB 4.13Å; F799-N1105 HydrophobicContact CZ-CB 3.87Å; A1101-N1105 PolarHBondContact O-N 3.11Å; E1102-N1105 PolarHBondContact O-N 2.75Å; N1105-L1107 VanDerWaalsContact C-N 3.32Å; N1105-L1107 PolarHBondContact O-N 3.36Å; N1105-K1108 WeakPolarHBondContact O-CB 3.31Å; N1105-K1108 PolarHBondContact O-N 2.71Å; N1105-Q1109 WeakPolarHBondContact O-CG 3.1Å; N1105-Q1109 PolarHBondContact O-N 3.3Å
1106D96.9Very high95.9Very high26 Ų2636.9 Ų36.914%0.13918%0.183CC..Hα-helixtrans-61.5-39.6176.1-86.1-8.3000111.8E1102 P1103 Q1109 A1110 R1189 C1190E1102-D1106 PolarHBondContact O-N 2.95Å; P1103-D1106 PolarHBondContact O-N 3.3Å; D1106-Q1109 PolarHBondContact O-N 2.83Å; D1106-A1110 VanDerWaalsContact O-CB 3.27Å; D1106-A1110 WeakPolarHBondContact O-CB 3.46Å; D1106-A1110 PolarHBondContact O-N 3.21Å; D1106-R1189 IonicContact OD1-CZ 2.97Å; D1106-R1189 VanDerWaalsContact OD1-CZ 3.29Å; D1106-R1189 IonicContact OD1-NE 3.17Å; D1106-R1189 PolarHBondContact OD1-NE 2.91Å; D1106-R1189 IonicContact OD1-NH2 3.65Å; D1106-R1189 PolarHBondContact OD1-NH2 2.86Å; D1106-R1189 VanDerWaalsContact OD2-CB 3.26Å; D1106-R1189 WeakPolarHBondContact OD2-CB 3.5Å; D1106-R1189 WeakPolarHBondContact OD2-CD 3.19Å; D1106-R1189 IonicContact OD2-CZ 3.72Å; D1106-R1189 IonicContact OD2-NE 2.78Å; D1106-R1189 PolarHBondContact OD2-NE 3.34Å; D1106-R1189 IonicContact OD2-NH2 3.88Å; D1106-C1190 PolarHBondContact O-SG 3.24Å
1107L97.3Very high95.9Very high3 Ų334.4 Ų34.42%0.01617%0.17CC..Hα-helixtrans-66-37.9174.4179.557.9000112.4P1103 N1105 A1110 V1111 C1190 W1195 M1253 F1257 V1276P1103-L1107 WeakPolarHBondContact O-CB 3.36Å; P1103-L1107 PolarHBondContact O-N 3.44Å; N1105-L1107 VanDerWaalsContact C-N 3.32Å; N1105-L1107 PolarHBondContact O-N 3.36Å; L1107-A1110 PolarHBondContact O-N 3.48Å; L1107-V1111 HydrophobicContact CD1-CG2 4.48Å; L1107-V1111 WeakPolarHBondContact O-CG2 3.5Å; L1107-V1111 PolarHBondContact O-N 2.96Å; L1107-V1111 VanDerWaalsContact O-N 3.08Å; L1107-C1190 VanDerWaalsContact CA-SG 3.51Å; L1107-C1190 PolarHBondContact N-SG 3.15Å; L1107-C1190 VanDerWaalsContact N-SG 3.37Å; L1107-W1195 HydrophobicContact CB-CH2 3.68Å; L1107-W1195 HydrophobicContact CB-CZ2 4.23Å; L1107-W1195 HydrophobicContact CD2-CH2 3.7Å; L1107-W1195 HydrophobicContact CD2-CZ2 4.44Å; L1107-W1195 HydrophobicContact CD2-CZ3 3.76Å; L1107-W1195 HydrophobicContact CG-CH2 4.23Å; L1107-M1253 HydrophobicContact CB-CG 4.3Å; L1107-M1253 HydrophobicContact CD2-CG 3.85Å; L1107-M1253 HydrophobicContact CG-CE 4.12Å; L1107-M1253 HydrophobicContact CG-CG 3.93Å; L1107-F1257 HydrophobicContact CD1-CD2 3.98Å; L1107-V1276 HydrophobicContact CD1-CG1 3.59Å; L1107-V1276 HydrophobicContact CD2-CG1 4.09Å; L1107-V1276 HydrophobicContact CD2-CG2 4.09Å; L1107-V1276 HydrophobicContact CG-CG1 4.44Å
1108K96Very high95.7Very high18 Ų1840.1 Ų40.18%0.07820%0.195CC..Hα-helixtrans-58.8-49.2170.8173-177.5156.8174.70111.1D798 F799 D801 L1104 N1105 V1111 I1112 M1253D798-K1108 PolarHBondContact O-NZ 3.43Å; F799-K1108 HydrophobicContact CD1-CD 4.12Å; D801-K1108 VanDerWaalsContact CG-NZ 3.32Å; D801-K1108 VanDerWaalsContact OD1-CE 3.32Å; D801-K1108 WeakPolarHBondContact OD1-CE 3.32Å; D801-K1108 IonicContact OD1-NZ 2.76Å; D801-K1108 PolarHBondContact OD1-NZ 3.14Å; D801-K1108 VanDerWaalsContact OD2-CE 3.26Å; D801-K1108 WeakPolarHBondContact OD2-CE 3.24Å; D801-K1108 IonicContact OD2-NZ 2.72Å; D801-K1108 PolarHBondContact OD2-NZ 3.43Å; L1104-K1108 PolarHBondContact O-N 3.47Å; L1104-K1108 VanDerWaalsContact O-N 3.09Å; N1105-K1108 WeakPolarHBondContact O-CB 3.31Å; N1105-K1108 PolarHBondContact O-N 2.71Å; K1108-V1111 PolarHBondContact O-N 2.67Å; K1108-I1112 HydrophobicContact CG-CD1 4Å; K1108-I1112 WeakPolarHBondContact O-CG1 3.46Å; K1108-I1112 PolarHBondContact O-N 3.25Å; K1108-M1253 VanDerWaalsContact CA-SD 3.6Å; K1108-M1253 HydrophobicContact CB-CE 4.49Å; K1108-M1253 HydrophobicContact CB-SD 3.69Å; K1108-M1253 HydrophobicContact CG-SD 4.42Å
1109Q96.8Very high95.7Very high63 Ų6335.5 Ų35.529%0.29418%0.175SC..Hα-helixtrans-66.7-40.6179.6-59.7-52.6-27.300111.6N1105 D1106 V1111 I1112 E1113 A1186N1105-Q1109 WeakPolarHBondContact O-CG 3.1Å; N1105-Q1109 PolarHBondContact O-N 3.3Å; D1106-Q1109 PolarHBondContact O-N 2.83Å; Q1109-V1111 VanDerWaalsContact C-N 3.31Å; Q1109-V1111 PolarHBondContact O-N 2.97Å; Q1109-I1112 CarbonylContact O-C 3.45Å; Q1109-I1112 WeakPolarHBondContact O-CA 3.44Å; Q1109-I1112 PolarHBondContact O-N 3.25Å; Q1109-E1113 WeakPolarHBondContact O-CB 3.45Å; Q1109-E1113 WeakPolarHBondContact O-CG 3.4Å; Q1109-E1113 PolarHBondContact O-N 3.28Å; Q1109-A1186 HydrophobicContact CB-CB 3.68Å
1110A96.6Very high95.7Very high3 Ų332.2 Ų32.23%0.02516%0.16CC..Hα-helixtrans-58.1-40.4177.100000112.4D1106 L1107 L1114 A1186 L1187D1106-A1110 VanDerWaalsContact O-CB 3.27Å; D1106-A1110 WeakPolarHBondContact O-CB 3.46Å; D1106-A1110 PolarHBondContact O-N 3.21Å; L1107-A1110 PolarHBondContact O-N 3.48Å; A1110-L1114 WeakPolarHBondContact O-CB 3.26Å; A1110-L1114 PolarHBondContact O-N 3.42Å; A1110-A1186 HydrophobicContact CB-CB 4.22Å; A1110-L1187 HydrophobicContact CB-CB 3.89Å
1111V95.9Very high95.5Very high4 Ų438 Ų382%0.02418%0.181CC..Hα-helixtrans-64.7-40173.4165.30000111.6L1107 K1108 Q1109 I1115 M1253 T1260L1107-V1111 HydrophobicContact CD1-CG2 4.48Å; L1107-V1111 WeakPolarHBondContact O-CG2 3.5Å; L1107-V1111 PolarHBondContact O-N 2.96Å; L1107-V1111 VanDerWaalsContact O-N 3.08Å; K1108-V1111 PolarHBondContact O-N 2.67Å; Q1109-V1111 VanDerWaalsContact C-N 3.31Å; Q1109-V1111 PolarHBondContact O-N 2.97Å; V1111-I1115 HydrophobicContact CG1-CD1 3.79Å; V1111-I1115 WeakPolarHBondContact O-CB 3.34Å; V1111-I1115 WeakPolarHBondContact O-CD1 3.48Å; V1111-I1115 VanDerWaalsContact O-CG1 3.28Å; V1111-I1115 WeakPolarHBondContact O-CG1 3.44Å; V1111-I1115 PolarHBondContact O-N 3.23Å; V1111-I1115 VanDerWaalsContact O-N 3.12Å; V1111-M1253 HydrophobicContact CB-CE 4.13Å; V1111-M1253 HydrophobicContact CG2-CE 3.72Å; V1111-T1260 HydrophobicContact CG1-CG2 4.23Å; V1111-T1260 VanDerWaalsContact CG1-OG1 3.32Å; V1111-T1260 WeakPolarHBondContact CG1-OG1 3.28Å; V1111-T1260 HydrophobicContact CG2-CG2 4.38Å
1112I95.2Very high95.4Very high50 Ų5040.5 Ų40.526%0.25619%0.191SC..Hα-helixtrans-69.8-45.7178.9-65.7165.7000111.2K1108 Q1109 N1116K1108-I1112 HydrophobicContact CG-CD1 4Å; K1108-I1112 WeakPolarHBondContact O-CG1 3.46Å; K1108-I1112 PolarHBondContact O-N 3.25Å; Q1109-I1112 CarbonylContact O-C 3.45Å; Q1109-I1112 WeakPolarHBondContact O-CA 3.44Å; Q1109-I1112 PolarHBondContact O-N 3.25Å; I1112-N1116 WeakPolarHBondContact O-CB 3.13Å; I1112-N1116 PolarHBondContact O-N 3.01Å; I1112-N1116 PolarHBondContact O-ND2 2.7Å
1113E95.6Very high95.4Very high51 Ų5136.2 Ų36.224%0.23817%0.17CC..Hα-helixtrans-55.9-51.3173.6-72.2169.7-176.300110.3Q1109 I1115 N1116 C1117 L1184 G1185 A1186 L1187Q1109-E1113 WeakPolarHBondContact O-CB 3.45Å; Q1109-E1113 WeakPolarHBondContact O-CG 3.4Å; Q1109-E1113 PolarHBondContact O-N 3.28Å; E1113-I1115 PolarHBondContact O-N 2.97Å; E1113-N1116 PolarHBondContact O-N 3.25Å; E1113-C1117 WeakPolarHBondContact O-CB 3.42Å; E1113-C1117 PolarHBondContact O-N 3.03Å; E1113-L1184 HydrophobicContact CB-CD2 4.17Å; E1113-L1184 VanDerWaalsContact OE2-C 3.24Å; E1113-G1185 PolarHBondContact OE2-N 3.36Å; E1113-A1186 WeakPolarHBondContact OE1-CB 3.4Å; E1113-A1186 PolarHBondContact OE1-N 2.92Å; E1113-A1186 VanDerWaalsContact OE1-N 3.13Å; E1113-A1186 WeakPolarHBondContact OE2-CA 3.45Å; E1113-A1186 WeakPolarHBondContact OE2-CB 2.97Å; E1113-A1186 PolarHBondContact OE2-N 2.95Å; E1113-L1187 PolarHBondContact OE2-N 2.85Å
1114L95Very high95.3Very high12 Ų1237 Ų376%0.06317%0.174CC..Hα-helixtrans-63-42.8-175.8-174.467000113.6A1110 L1120 L1184 L1187 T1260 L1264 F1279 L1283A1110-L1114 WeakPolarHBondContact O-CB 3.26Å; A1110-L1114 PolarHBondContact O-N 3.42Å; L1114-L1120 HydrophobicContact CD1-CD2 3.38Å; L1114-L1120 HydrophobicContact CG-CD2 4.5Å; L1114-L1184 HydrophobicContact CD1-CD1 4.48Å; L1114-L1184 HydrophobicContact CD1-CD2 4.34Å; L1114-L1187 HydrophobicContact CD1-CD1 4.36Å; L1114-T1260 HydrophobicContact CD2-CG2 4.32Å; L1114-L1264 HydrophobicContact CD2-CD1 3.89Å; L1114-F1279 HydrophobicContact CD2-CE1 3.75Å; L1114-F1279 HydrophobicContact CD2-CZ 3.81Å; L1114-L1283 HydrophobicContact CD1-CD1 3.76Å; L1114-L1283 HydrophobicContact CD2-CD1 4.19Å
1115I92.4Very high95.1Very high65 Ų6540.2 Ų40.233%0.33320%0.196SC..Hα-helixtrans-69.2-35.8178.8-70.1169.3000111.2V1111 E1113 T1260 Y1263V1111-I1115 HydrophobicContact CG1-CD1 3.79Å; V1111-I1115 WeakPolarHBondContact O-CB 3.34Å; V1111-I1115 WeakPolarHBondContact O-CD1 3.48Å; V1111-I1115 VanDerWaalsContact O-CG1 3.28Å; V1111-I1115 WeakPolarHBondContact O-CG1 3.44Å; V1111-I1115 PolarHBondContact O-N 3.23Å; V1111-I1115 VanDerWaalsContact O-N 3.12Å; E1113-I1115 PolarHBondContact O-N 2.97Å; I1115-T1260 HydrophobicContact CD1-CG2 4.3Å; I1115-T1260 HydrophobicContact CG1-CG2 4.33Å; I1115-Y1263 HydrophobicContact CG1-CE1 4.45Å
1116N92.9Very high95Very high104 Ų10439.1 Ų39.156%0.55619%0.191SC*.Hα-helixtrans-84.7-27.7-177-73.6-65.7000113.8I1112 E1113 K1118 R1121I1112-N1116 WeakPolarHBondContact O-CB 3.13Å; I1112-N1116 PolarHBondContact O-N 3.01Å; I1112-N1116 PolarHBondContact O-ND2 2.7Å; E1113-N1116 PolarHBondContact O-N 3.25Å; N1116-K1118 PolarHBondContact O-N 2.76Å; N1116-R1121 PolarHBondContact O-NH2 3.35Å
1117C94.7Very high94.8Very high2 Ų238.1 Ų38.11%0.01419%0.185CC..  trans-47122.2-177.5-176.30000112.1E1113 L1120 R1121 L1180 E1183 L1184E1113-C1117 WeakPolarHBondContact O-CB 3.42Å; E1113-C1117 PolarHBondContact O-N 3.03Å; C1117-L1120 HydrophobicContact CB-CB 4.13Å; C1117-L1120 VanDerWaalsContact SG-CB 3.54Å; C1117-L1120 PolarHBondContact SG-N 3.16Å; C1117-R1121 PolarHBondContact O-NE 3.22Å; C1117-L1180 WeakPolarHBondContact SG-CD1 3.32Å; C1117-E1183 PolarHBondContact SG-OE2 2.73Å; C1117-L1184 HydrophobicContact CB-CD2 4.32Å
1118K93.6Very high94.5Very high125 Ų12540 Ų4054%0.54320%0.195SC..Hα-helixtrans-83.2-45177.2-66.9-179.4-176.9175.80110.6N1116 L1120 R1121 Y1122N1116-K1118 PolarHBondContact O-N 2.76Å; K1118-L1120 VanDerWaalsContact C-N 3.33Å; K1118-L1120 PolarHBondContact O-N 2.91Å; K1118-R1121 WeakPolarHBondContact O-CA 3.45Å; K1118-R1121 WeakPolarHBondContact O-CB 3.45Å; K1118-R1121 PolarHBondContact O-N 3.05Å; K1118-Y1122 HydrophobicContact CB-CE2 4.1Å; K1118-Y1122 PolarHBondContact O-N 3.05Å
1119T94.7Very high94.4Very high1 Ų142.7 Ų42.71%0.00622%0.216CC..Hα-helixtrans-58-42.3-177.6-60.30000112.1R1121 Y1122 I1123 T1178 Y1290T1119-R1121 VanDerWaalsContact C-N 3.33Å; T1119-R1121 PolarHBondContact O-N 3.32Å; T1119-Y1122 PolarHBondContact O-N 2.65Å; T1119-I1123 HydrophobicContact CG2-CD1 3.93Å; T1119-I1123 WeakPolarHBondContact O-CB 3.36Å; T1119-I1123 WeakPolarHBondContact O-CD1 3.49Å; T1119-I1123 VanDerWaalsContact O-CG1 3.26Å; T1119-I1123 WeakPolarHBondContact O-CG1 3.22Å; T1119-I1123 PolarHBondContact O-N 3.05Å; T1119-T1178 PolarHBondContact OG1-N 3.35Å; T1119-T1178 PolarHBondContact OG1-OG1 3.41Å; T1119-Y1290 HydrophobicContact CG2-CE1 4.01Å
1120L95.2Very high94.2Very high4 Ų441.2 Ų41.22%0.02121%0.21CC..Hα-helixtrans-59.8-41.5173.3-177.260.6000112.1L1114 C1117 K1118 I1123 L1124 L1180 L1283L1114-L1120 HydrophobicContact CD1-CD2 3.38Å; L1114-L1120 HydrophobicContact CG-CD2 4.5Å; C1117-L1120 HydrophobicContact CB-CB 4.13Å; C1117-L1120 VanDerWaalsContact SG-CB 3.54Å; C1117-L1120 PolarHBondContact SG-N 3.16Å; K1118-L1120 VanDerWaalsContact C-N 3.33Å; K1118-L1120 PolarHBondContact O-N 2.91Å; L1120-I1123 PolarHBondContact O-N 3.01Å; L1120-L1124 HydrophobicContact CD1-CD1 4.19Å; L1120-L1124 HydrophobicContact CD1-CG 4.13Å; L1120-L1124 HydrophobicContact CG-CD1 3.93Å; L1120-L1124 HydrophobicContact CG-CG 4.3Å; L1120-L1124 WeakPolarHBondContact O-CB 3.41Å; L1120-L1124 WeakPolarHBondContact O-CG 3.46Å; L1120-L1124 PolarHBondContact O-N 3.24Å; L1120-L1180 HydrophobicContact CB-CD1 3.94Å; L1120-L1180 HydrophobicContact CD1-CD2 4.32Å; L1120-L1283 HydrophobicContact CD1-CD2 4.31Å; L1120-L1283 HydrophobicContact CD2-CD2 4.4Å
1121R93.7Very high93.8Very high123 Ų12342 Ų4246%0.46422%0.218SC..Hα-helixtrans-67.9-36.6178.1-71.1-179.8-78.5165.4-8.3112.2N1116 C1117 K1118 T1119 S1125N1116-R1121 PolarHBondContact O-NH2 3.35Å; C1117-R1121 PolarHBondContact O-NE 3.22Å; K1118-R1121 WeakPolarHBondContact O-CA 3.45Å; K1118-R1121 WeakPolarHBondContact O-CB 3.45Å; K1118-R1121 PolarHBondContact O-N 3.05Å; T1119-R1121 VanDerWaalsContact C-N 3.33Å; T1119-R1121 PolarHBondContact O-N 3.32Å; R1121-S1125 VanDerWaalsContact O-CB 3.26Å; R1121-S1125 WeakPolarHBondContact O-CB 3.47Å; R1121-S1125 PolarHBondContact O-N 2.87Å
1122Y94.8Very high93.5Very high57 Ų5743.5 Ų43.522%0.22423%0.226CC..Hα-helixtrans-63.5-47.9172.2-56.6-26.3000111.5K1118 T1119 L1124 S1125 V1126 F1174K1118-Y1122 HydrophobicContact CB-CE2 4.1Å; K1118-Y1122 PolarHBondContact O-N 3.05Å; T1119-Y1122 PolarHBondContact O-N 2.65Å; Y1122-L1124 PolarHBondContact O-N 3.05Å; Y1122-S1125 PolarHBondContact O-N 3.09Å; Y1122-V1126 WeakPolarHBondContact O-CG2 3.5Å; Y1122-V1126 PolarHBondContact O-N 3.29Å; Y1122-F1174 HydrophobicContact CD1-CD1 4.06Å; Y1122-F1174 HydrophobicContact CD1-CD2 4.47Å; Y1122-F1174 HydrophobicContact CD1-CE1 4.15Å; Y1122-F1174 HydrophobicContact CD1-CG 4.23Å; Y1122-F1174 HydrophobicContact CD1-CZ 4.41Å; Y1122-F1174 HydrophobicContact CD2-CB 3.7Å; Y1122-F1174 HydrophobicContact CD2-CD1 4.22Å; Y1122-F1174 HydrophobicContact CD2-CD2 4.24Å; Y1122-F1174 AromaticContact CD2-CG 3.78Å; Y1122-F1174 HydrophobicContact CD2-CG 3.78Å; Y1122-F1174 HydrophobicContact CE1-CD1 4.08Å; Y1122-F1174 HydrophobicContact CE1-CE1 4.31Å; Y1122-F1174 HydrophobicContact CE2-CB 3.9Å; Y1122-F1174 HydrophobicContact CE2-CD1 4.22Å; Y1122-F1174 HydrophobicContact CE2-CG 4.12Å; Y1122-F1174 HydrophobicContact CG-CB 4.27Å; Y1122-F1174 HydrophobicContact CG-CD1 4.15Å; Y1122-F1174 AromaticContact CG-CD2 3.96Å; Y1122-F1174 HydrophobicContact CG-CD2 3.96Å; Y1122-F1174 HydrophobicContact CG-CE2 4.38Å; Y1122-F1174 AromaticContact CG-CG 3.84Å; Y1122-F1174 HydrophobicContact CG-CG 3.84Å
1123I95.5Very high93.3Very high0 Ų049.4 Ų49.40%025%0.251CS..Hα-helixtrans-56.1-51.2175.2-71164.4000111.2T1119 L1120 S1125 V1126 L1127 V1166 V1170 L1180 F1286 Y1290T1119-I1123 HydrophobicContact CG2-CD1 3.93Å; T1119-I1123 WeakPolarHBondContact O-CB 3.36Å; T1119-I1123 WeakPolarHBondContact O-CD1 3.49Å; T1119-I1123 VanDerWaalsContact O-CG1 3.26Å; T1119-I1123 WeakPolarHBondContact O-CG1 3.22Å; T1119-I1123 PolarHBondContact O-N 3.05Å; L1120-I1123 PolarHBondContact O-N 3.01Å; I1123-S1125 VanDerWaalsContact C-N 3.31Å; I1123-S1125 PolarHBondContact O-N 3.45Å; I1123-V1126 PolarHBondContact O-N 3.45Å; I1123-L1127 WeakPolarHBondContact O-CB 3.24Å; I1123-L1127 PolarHBondContact O-N 3.04Å; I1123-V1166 HydrophobicContact CG2-CG1 4.2Å; I1123-V1170 HydrophobicContact CG1-CG2 4.17Å; I1123-L1180 HydrophobicContact CD1-CD2 3.92Å; I1123-F1286 HydrophobicContact CD1-CE1 4.29Å; I1123-F1286 HydrophobicContact CD1-CZ 4.46Å; I1123-F1286 HydrophobicContact CG2-CE1 4.01Å; I1123-F1286 HydrophobicContact CG2-CZ 3.69Å; I1123-Y1290 HydrophobicContact CD1-CD1 4.09Å; I1123-Y1290 HydrophobicContact CD1-CD2 3.65Å; I1123-Y1290 HydrophobicContact CD1-CE1 3.94Å; I1123-Y1290 HydrophobicContact CD1-CE2 3.48Å; I1123-Y1290 VanDerWaalsContact CD1-CE2 3.48Å; I1123-Y1290 HydrophobicContact CD1-CG 3.96Å; I1123-Y1290 HydrophobicContact CG1-CD2 4.21Å; I1123-Y1290 HydrophobicContact CG1-CE2 3.72Å
1124L94.5Very high93Very high35 Ų3552.3 Ų52.318%0.18327%0.267CS..Hα-helixtrans-63.5-36.5-179.7-69.1173.1000111.9L1120 Y1122 L1128 F1142 L1147L1120-L1124 HydrophobicContact CD1-CD1 4.19Å; L1120-L1124 HydrophobicContact CD1-CG 4.13Å; L1120-L1124 HydrophobicContact CG-CD1 3.93Å; L1120-L1124 HydrophobicContact CG-CG 4.3Å; L1120-L1124 WeakPolarHBondContact O-CB 3.41Å; L1120-L1124 WeakPolarHBondContact O-CG 3.46Å; L1120-L1124 PolarHBondContact O-N 3.24Å; Y1122-L1124 PolarHBondContact O-N 3.05Å; L1124-L1128 VanDerWaalsContact O-CB 3.27Å; L1124-L1128 WeakPolarHBondContact O-CB 3.13Å; L1124-L1128 PolarHBondContact O-N 3.26Å; L1124-F1142 HydrophobicContact CD2-CE2 3.69Å; L1124-F1142 HydrophobicContact CD2-CZ 3.48Å; L1124-F1142 VanDerWaalsContact CD2-CZ 3.48Å; L1124-L1147 HydrophobicContact CD2-CD2 4.07Å
1125S92.5Very high92.8Very high68 Ų6857.7 Ų57.748%0.47630%0.296SS..Hα-helixtrans-66.7-51.1176.3-1730000111.9R1121 Y1122 I1123 L1127 L1128 S1129R1121-S1125 VanDerWaalsContact O-CB 3.26Å; R1121-S1125 WeakPolarHBondContact O-CB 3.47Å; R1121-S1125 PolarHBondContact O-N 2.87Å; Y1122-S1125 PolarHBondContact O-N 3.09Å; I1123-S1125 VanDerWaalsContact C-N 3.31Å; I1123-S1125 PolarHBondContact O-N 3.45Å; S1125-L1127 VanDerWaalsContact C-N 3.33Å; S1125-L1127 PolarHBondContact O-N 3.16Å; S1125-L1128 PolarHBondContact O-N 3.06Å; S1125-S1129 PolarHBondContact O-N 3.19Å; S1125-S1129 PolarHBondContact O-OG 3.13Å; S1125-S1129 VanDerWaalsContact O-OG 3.07Å
1126V94.3Very high92.6Very high8 Ų858.2 Ų58.25%0.04832%0.317CS..Hα-helixtrans-60.2-44.1177.3168.50000110.8Y1122 I1123 S1129 I1130 V1166 I1169 V1170 F1174Y1122-V1126 WeakPolarHBondContact O-CG2 3.5Å; Y1122-V1126 PolarHBondContact O-N 3.29Å; I1123-V1126 PolarHBondContact O-N 3.45Å; V1126-S1129 PolarHBondContact O-N 3.36Å; V1126-I1130 HydrophobicContact CG1-CD1 3.67Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.37Å; V1126-I1130 PolarHBondContact O-N 3.04Å; V1126-V1166 HydrophobicContact CG1-CB 4.45Å; V1126-V1166 HydrophobicContact CG1-CG1 4.1Å; V1126-I1169 HydrophobicContact CG1-CB 3.95Å; V1126-I1169 HydrophobicContact CG1-CG2 3.67Å; V1126-I1169 HydrophobicContact CG2-CG2 4.01Å; V1126-V1170 HydrophobicContact CB-CG2 4.12Å; V1126-V1170 HydrophobicContact CG1-CG2 4.42Å; V1126-V1170 HydrophobicContact CG2-CG2 3.83Å; V1126-F1174 HydrophobicContact CG2-CE2 4.1Å
1127L94.5Very high92.3Very high5 Ų555.6 Ų55.63%0.02631%0.307CS..Hα-helixtrans-66.2-39.3177.3177.755.7000112.7I1123 S1125 S1129 I1130 G1131 F1142 L1147 L1150 L1162 V1166I1123-L1127 WeakPolarHBondContact O-CB 3.24Å; I1123-L1127 PolarHBondContact O-N 3.04Å; S1125-L1127 VanDerWaalsContact C-N 3.33Å; S1125-L1127 PolarHBondContact O-N 3.16Å; L1127-S1129 VanDerWaalsContact C-N 3.32Å; L1127-S1129 PolarHBondContact O-N 3.46Å; L1127-I1130 PolarHBondContact O-N 3.2Å; L1127-G1131 PolarHBondContact O-N 3.44Å; L1127-F1142 HydrophobicContact CB-CE1 4.35Å; L1127-F1142 HydrophobicContact CB-CZ 4.16Å; L1127-F1142 HydrophobicContact CD2-CE1 4.24Å; L1127-F1142 HydrophobicContact CD2-CE2 3.9Å; L1127-F1142 HydrophobicContact CD2-CZ 3.52Å; L1127-F1142 HydrophobicContact CG-CE1 3.98Å; L1127-F1142 HydrophobicContact CG-CZ 3.76Å; L1127-L1147 HydrophobicContact CD2-CD2 4.02Å; L1127-L1150 HydrophobicContact CD1-CD2 3.52Å; L1127-L1150 HydrophobicContact CD2-CD1 3.64Å; L1127-L1150 HydrophobicContact CD2-CD2 3.65Å; L1127-L1150 HydrophobicContact CD2-CG 4.19Å; L1127-L1150 HydrophobicContact CG-CD2 4.26Å; L1127-L1162 HydrophobicContact CD1-CD2 4.4Å; L1127-V1166 HydrophobicContact CB-CG2 4.35Å; L1127-V1166 HydrophobicContact CD1-CG2 4.25Å
1128L91.1Very high92.1Very high41 Ų4162 Ų6222%0.21535%0.346CS..Hα-helixtrans-62.6-41.5174.4-177.362.5000110.9L1124 S1125 N1132 A1139 F1142L1124-L1128 VanDerWaalsContact O-CB 3.27Å; L1124-L1128 WeakPolarHBondContact O-CB 3.13Å; L1124-L1128 PolarHBondContact O-N 3.26Å; S1125-L1128 PolarHBondContact O-N 3.06Å; L1128-N1132 VanDerWaalsContact O-CB 3.26Å; L1128-N1132 WeakPolarHBondContact O-CB 3.23Å; L1128-N1132 PolarHBondContact O-N 3.21Å; L1128-A1139 HydrophobicContact CD1-CB 4.47Å; L1128-F1142 HydrophobicContact CB-CD1 4.45Å; L1128-F1142 HydrophobicContact CB-CE1 4.02Å; L1128-F1142 HydrophobicContact CD1-CD1 4.01Å; L1128-F1142 HydrophobicContact CD1-CE1 4.42Å
1129S92.4Very high91.8Very high75 Ų7558.1 Ų58.152%0.52434%0.338SS..Hα-helixtrans-63.2-47.7176.6-57.40000112.3S1125 V1126 L1127 N1132 F1133S1125-S1129 PolarHBondContact O-N 3.19Å; S1125-S1129 PolarHBondContact O-OG 3.13Å; S1125-S1129 VanDerWaalsContact O-OG 3.07Å; V1126-S1129 PolarHBondContact O-N 3.36Å; L1127-S1129 VanDerWaalsContact C-N 3.32Å; L1127-S1129 PolarHBondContact O-N 3.46Å; S1129-N1132 PolarHBondContact O-N 3.22Å; S1129-F1133 WeakPolarHBondContact O-CB 3.48Å; S1129-F1133 PolarHBondContact O-N 2.67Å
1130I92.4Very high91.4Very high32 Ų3270 Ų7016%0.16438%0.382CS..Hα-helixtrans-65.6-43177.8-64.8162.4000110.8V1126 L1127 F1133 L1134 L1162 V1166 I1169V1126-I1130 HydrophobicContact CG1-CD1 3.67Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.37Å; V1126-I1130 PolarHBondContact O-N 3.04Å; L1127-I1130 PolarHBondContact O-N 3.2Å; I1130-F1133 PolarHBondContact O-N 2.91Å; I1130-L1134 HydrophobicContact CG2-CD1 3.62Å; I1130-L1134 HydrophobicContact CG2-CG 4.07Å; I1130-L1134 WeakPolarHBondContact O-CB 3.34Å; I1130-L1134 WeakPolarHBondContact O-CG 3.48Å; I1130-L1134 PolarHBondContact O-N 3.41Å; I1130-L1162 HydrophobicContact CG2-CD1 3.88Å; I1130-V1166 HydrophobicContact CD1-CG2 3.91Å; I1130-I1169 HydrophobicContact CD1-CD1 3.87Å
1131G89.2Confident91Very high20 Ų2072 Ų7221%0.20640%0.404CS..Hα-helixtrans-63.6-40.7178.100000112.9L1127 N1135L1127-G1131 PolarHBondContact O-N 3.44Å; G1131-N1135 VanDerWaalsContact O-CB 3.27Å; G1131-N1135 WeakPolarHBondContact O-CB 3.25Å; G1131-N1135 PolarHBondContact O-N 2.94Å; G1131-N1135 VanDerWaalsContact O-N 3.1Å; G1131-N1135 PolarHBondContact O-ND2 3.27Å
1132N89.4Confident90.9Very high36 Ų3669.1 Ų69.119%0.19340%0.395CS..Hα-helixtrans-63.9-45.5173.9-82.9-14.5000111.6L1128 S1129 G1136 S1137 A1139L1128-N1132 VanDerWaalsContact O-CB 3.26Å; L1128-N1132 WeakPolarHBondContact O-CB 3.23Å; L1128-N1132 PolarHBondContact O-N 3.21Å; S1129-N1132 PolarHBondContact O-N 3.22Å; N1132-G1136 PolarHBondContact O-N 3.02Å; N1132-G1136 VanDerWaalsContact O-N 3.09Å; N1132-S1137 CarbonylContact C-O 3.36Å; N1132-S1137 VanDerWaalsContact CA-O 3.31Å; N1132-S1137 WeakPolarHBondContact CA-O 3.47Å; N1132-S1137 WeakPolarHBondContact CB-O 3.4Å; N1132-S1137 VanDerWaalsContact CG-O 3.23Å; N1132-S1137 PolarHBondContact O-N 3.14Å; N1132-S1137 PolarHBondContact OD1-O 3.2Å; N1132-A1139 PolarHBondContact ND2-O 2.88Å; N1132-A1139 WeakPolarHBondContact OD1-CA 3.3Å; N1132-A1139 WeakPolarHBondContact OD1-CB 3.25Å; N1132-A1139 PolarHBondContact OD1-N 2.9Å; N1132-A1139 PolarHBondContact OD1-O 3.49Å
1133F91.9Very high90.7Very high174 Ų17469.2 Ų69.276%0.76340%0.401SS*.Hα-helixtrans-61.4-53.5177.1178.4-100.8000112.6S1129 I1130 N1135 G1136S1129-F1133 WeakPolarHBondContact O-CB 3.48Å; S1129-F1133 PolarHBondContact O-N 2.67Å; I1130-F1133 PolarHBondContact O-N 2.91Å; F1133-N1135 VanDerWaalsContact C-N 3.34Å; F1133-N1135 PolarHBondContact O-N 2.88Å; F1133-G1136 PolarHBondContact O-N 3.03Å
1134L89.3Confident90.5Very high111 Ų11169.5 Ų69.558%0.58140%0.403SS*.Hα-helixtrans-66-32.8-176.7-68.9177.9000113.4I1130I1130-L1134 HydrophobicContact CG2-CD1 3.62Å; I1130-L1134 HydrophobicContact CG2-CG 4.07Å; I1130-L1134 WeakPolarHBondContact O-CB 3.34Å; I1130-L1134 WeakPolarHBondContact O-CG 3.48Å; I1130-L1134 PolarHBondContact O-N 3.41Å
1135N89.4Confident90.3Very high126 Ų12669.3 Ų69.367%0.67440%0.402SS*.THydrogen-bonded Turntrans-92.62.9178.8-62.6-60.1000113.5G1131 F1133 S1137G1131-N1135 VanDerWaalsContact O-CB 3.27Å; G1131-N1135 WeakPolarHBondContact O-CB 3.25Å; G1131-N1135 PolarHBondContact O-N 2.94Å; G1131-N1135 VanDerWaalsContact O-N 3.1Å; G1131-N1135 PolarHBondContact O-ND2 3.27Å; F1133-N1135 VanDerWaalsContact C-N 3.34Å; F1133-N1135 PolarHBondContact O-N 2.88Å; N1135-S1137 PolarHBondContact O-N 3.13Å
1136G88.1Confident90.3Very high75 Ų7570.3 Ų70.377%0.77340%0.396SS*.THydrogen-bonded Turntrans56.732.2-176.300000114.1N1132 F1133N1132-G1136 PolarHBondContact O-N 3.02Å; N1132-G1136 VanDerWaalsContact O-N 3.09Å; F1133-G1136 PolarHBondContact O-N 3.03Å
1137S87.8Confident90.4Very high50 Ų5069.9 Ų69.935%0.3539%0.394SS..  trans-127.9162.7-168.570.90000112.9N1132 N1135N1132-S1137 CarbonylContact C-O 3.36Å; N1132-S1137 VanDerWaalsContact CA-O 3.31Å; N1132-S1137 WeakPolarHBondContact CA-O 3.47Å; N1132-S1137 WeakPolarHBondContact CB-O 3.4Å; N1132-S1137 VanDerWaalsContact CG-O 3.23Å; N1132-S1137 PolarHBondContact O-N 3.14Å; N1132-S1137 PolarHBondContact OD1-O 3.2Å; N1135-S1137 PolarHBondContact O-N 3.13Å
1138T90.2Very high90.3Very high136 Ų13671.6 Ų71.683%0.83441%0.412SS*.  trans-116.850-178.962.30000111
1139A86.3Confident90.4Very high44 Ų4476.9 Ų76.936%0.36443%0.429SS..  trans-64.8144.6176.900000110.7L1128 N1132L1128-A1139 HydrophobicContact CD1-CB 4.47Å; N1132-A1139 PolarHBondContact ND2-O 2.88Å; N1132-A1139 WeakPolarHBondContact OD1-CA 3.3Å; N1132-A1139 WeakPolarHBondContact OD1-CB 3.25Å; N1132-A1139 PolarHBondContact OD1-N 2.9Å; N1132-A1139 PolarHBondContact OD1-O 3.49Å
1140R87.4Confident90.5Very high249 Ų24973.3 Ų73.394%0.9440%0.404SS*.SBendtrans-93-2.9179.2-56.8-171.573.8-169.22.9113.5
1141G87.2Confident90.6Very high47 Ų4773 Ų7349%0.48541%0.405SS..  trans169.5173.1-176.500000110.9
1142F91Very high90.8Very high63 Ų6378.5 Ų78.528%0.27643%0.425SS..  trans-143.9160.3177.155.4-94.4000109.7L1124 L1127 L1128 L1147L1124-F1142 HydrophobicContact CD2-CE2 3.69Å; L1124-F1142 HydrophobicContact CD2-CZ 3.48Å; L1124-F1142 VanDerWaalsContact CD2-CZ 3.48Å; L1127-F1142 HydrophobicContact CB-CE1 4.35Å; L1127-F1142 HydrophobicContact CB-CZ 4.16Å; L1127-F1142 HydrophobicContact CD2-CE1 4.24Å; L1127-F1142 HydrophobicContact CD2-CE2 3.9Å; L1127-F1142 HydrophobicContact CD2-CZ 3.52Å; L1127-F1142 HydrophobicContact CG-CE1 3.98Å; L1127-F1142 HydrophobicContact CG-CZ 3.76Å; L1128-F1142 HydrophobicContact CB-CD1 4.45Å; L1128-F1142 HydrophobicContact CB-CE1 4.02Å; L1128-F1142 HydrophobicContact CD1-CD1 4.01Å; L1128-F1142 HydrophobicContact CD1-CE1 4.42Å; F1142-L1147 HydrophobicContact CE2-CD2 4.32Å
1143T89.5Confident91Very high58 Ų5879.8 Ų79.836%0.35643%0.434SS..  trans-78.9138.6178.363.20000111.1D1145 Y1146T1143-D1145 WeakPolarHBondContact CB-OD2 3.44Å; T1143-D1145 PolarHBondContact O-N 3.06Å; T1143-D1145 PolarHBondContact OG1-OD2 3.36Å; T1143-Y1146 PolarHBondContact O-N 2.92Å; T1143-Y1146 VanDerWaalsContact O-N 3.11Å
1144L91.5Very high91Very high7 Ų777.9 Ų77.94%0.03743%0.425CS..G310 helixtrans-62.9-14.7-172.1-83.467.1000113.7Y1146 L1147 L1264 Y1266 F1279 L1283L1144-Y1146 PolarHBondContact O-N 2.98Å; L1144-Y1146 VanDerWaalsContact O-N 3.12Å; L1144-L1147 HydrophobicContact CB-CD1 4.22Å; L1144-L1147 HydrophobicContact CG-CD1 4.16Å; L1144-L1147 VanDerWaalsContact O-CB 3.29Å; L1144-L1147 WeakPolarHBondContact O-CB 3.46Å; L1144-L1147 VanDerWaalsContact O-CG 3.27Å; L1144-L1147 WeakPolarHBondContact O-CG 3.2Å; L1144-L1147 PolarHBondContact O-N 3.19Å; L1144-L1264 HydrophobicContact CD1-CB 4.34Å; L1144-L1264 HydrophobicContact CD2-CD1 4.19Å; L1144-L1264 HydrophobicContact CD2-CD2 4.32Å; L1144-Y1266 HydrophobicContact CB-CE2 4.46Å; L1144-F1279 HydrophobicContact CD2-CE2 4.13Å; L1144-F1279 HydrophobicContact CD2-CZ 4.34Å; L1144-L1283 HydrophobicContact CD2-CD1 4.23Å; L1144-L1283 HydrophobicContact CD2-CD2 4.33Å
1145D91.1Very high91.1Very high30 Ų3074.4 Ų74.416%0.1641%0.407CS..G310 helixtrans-57-25.8173.1-29.8-84000112.9T1143 L1147 Y1266 R1270T1143-D1145 WeakPolarHBondContact CB-OD2 3.44Å; T1143-D1145 PolarHBondContact O-N 3.06Å; T1143-D1145 PolarHBondContact OG1-OD2 3.36Å; D1145-L1147 VanDerWaalsContact C-N 3.25Å; D1145-L1147 PolarHBondContact O-N 3.5Å; D1145-Y1266 PolarHBondContact OD1-OH 2.65Å; D1145-Y1266 PolarHBondContact OD2-OH 3.3Å; D1145-R1270 IonicContact OD1-CZ 3.98Å; D1145-R1270 IonicContact OD1-NH2 2.68Å; D1145-R1270 PolarHBondContact OD1-NH2 3.37Å; D1145-R1270 IonicContact OD2-CZ 3.47Å; D1145-R1270 IonicContact OD2-NH1 2.72Å; D1145-R1270 PolarHBondContact OD2-NH1 3.23Å; D1145-R1270 IonicContact OD2-NH2 2.68Å; D1145-R1270 PolarHBondContact OD2-NH2 3.16Å
1146Y93.3Very high91Very high89 Ų8975.5 Ų75.535%0.34942%0.419SS..G310 helixtrans-69.8-19.8177.6-169.8-101.1000113.4T1143 L1144 G1148 R1149 L1150T1143-Y1146 PolarHBondContact O-N 2.92Å; T1143-Y1146 VanDerWaalsContact O-N 3.11Å; L1144-Y1146 PolarHBondContact O-N 2.98Å; L1144-Y1146 VanDerWaalsContact O-N 3.12Å; Y1146-G1148 PolarHBondContact O-N 3.08Å; Y1146-R1149 HydrophobicContact CD2-CB 4.45Å; Y1146-R1149 HydrophobicContact CE2-CB 4.32Å; Y1146-R1149 PolarHBondContact O-N 3.13Å; Y1146-L1150 HydrophobicContact CD1-CD2 4.37Å; Y1146-L1150 HydrophobicContact CE1-CD2 4.01Å
1147L95.1Very high90.9Very high0 Ų079.3 Ų79.30%041%0.414CS..G310 helixtrans-57-35179.7-66.3178000112.2L1124 L1127 F1142 L1144 D1145 R1149 L1150 L1283 F1286L1124-L1147 HydrophobicContact CD2-CD2 4.07Å; L1127-L1147 HydrophobicContact CD2-CD2 4.02Å; F1142-L1147 HydrophobicContact CE2-CD2 4.32Å; L1144-L1147 HydrophobicContact CB-CD1 4.22Å; L1144-L1147 HydrophobicContact CG-CD1 4.16Å; L1144-L1147 VanDerWaalsContact O-CB 3.29Å; L1144-L1147 WeakPolarHBondContact O-CB 3.46Å; L1144-L1147 VanDerWaalsContact O-CG 3.27Å; L1144-L1147 WeakPolarHBondContact O-CG 3.2Å; L1144-L1147 PolarHBondContact O-N 3.19Å; D1145-L1147 VanDerWaalsContact C-N 3.25Å; D1145-L1147 PolarHBondContact O-N 3.5Å; L1147-R1149 PolarHBondContact O-N 3.06Å; L1147-L1150 HydrophobicContact CB-CD1 4.41Å; L1147-L1150 HydrophobicContact CD2-CD1 3.75Å; L1147-L1150 WeakPolarHBondContact O-CG 3.43Å; L1147-L1150 PolarHBondContact O-N 2.89Å; L1147-L1283 HydrophobicContact CD1-CD2 3.76Å; L1147-F1286 HydrophobicContact CB-CB 4.16Å; L1147-F1286 HydrophobicContact CB-CD1 4.4Å; L1147-F1286 HydrophobicContact CB-CD2 3.92Å; L1147-F1286 HydrophobicContact CB-CG 3.86Å; L1147-F1286 HydrophobicContact CD1-CD1 4.06Å; L1147-F1286 HydrophobicContact CD1-CE1 4.49Å; L1147-F1286 HydrophobicContact CD1-CG 4.32Å; L1147-F1286 HydrophobicContact CD2-CE1 4.35Å; L1147-F1286 HydrophobicContact CD2-CE2 4.37Å; L1147-F1286 HydrophobicContact CD2-CZ 4.29Å; L1147-F1286 HydrophobicContact CG-CG 4.5Å
1148G92.9Very high90.7Very high40 Ų4084.2 Ų84.241%0.41243%0.426SS..G310 helixtrans-67.8-10.5176.800000115.4Y1146Y1146-G1148 PolarHBondContact O-N 3.08Å
1149R94.1Very high90.7Very high152 Ų15285.8 Ų85.857%0.57442%0.421SS*.G310 helixtrans-100.2-8.5178.2-59.4-166.3-175.1-178.90.7114.2Y1146 L1147 P1151 E1152 V1153Y1146-R1149 HydrophobicContact CD2-CB 4.45Å; Y1146-R1149 HydrophobicContact CE2-CB 4.32Å; Y1146-R1149 PolarHBondContact O-N 3.13Å; L1147-R1149 PolarHBondContact O-N 3.06Å; R1149-P1151 VanDerWaalsContact C-N 3.33Å; R1149-E1152 WeakPolarHBondContact CG-OE2 3.3Å; R1149-E1152 WeakPolarHBondContact O-CB 3.4Å; R1149-E1152 PolarHBondContact O-N 3.35Å; R1149-E1152 VanDerWaalsContact O-N 3.08Å; R1149-V1153 PolarHBondContact O-N 3.42Å
1150L94.5Very high90.9Very high0 Ų086.1 Ų86.10%042%0.417CS..THydrogen-bonded Turntrans-60-29.9178.6-62.9167.9000115.2L1127 Y1146 L1147 L1162 L1163 F1286L1127-L1150 HydrophobicContact CD1-CD2 3.52Å; L1127-L1150 HydrophobicContact CD2-CD1 3.64Å; L1127-L1150 HydrophobicContact CD2-CD2 3.65Å; L1127-L1150 HydrophobicContact CD2-CG 4.19Å; L1127-L1150 HydrophobicContact CG-CD2 4.26Å; Y1146-L1150 HydrophobicContact CD1-CD2 4.37Å; Y1146-L1150 HydrophobicContact CE1-CD2 4.01Å; L1147-L1150 HydrophobicContact CB-CD1 4.41Å; L1147-L1150 HydrophobicContact CD2-CD1 3.75Å; L1147-L1150 WeakPolarHBondContact O-CG 3.43Å; L1147-L1150 PolarHBondContact O-N 2.89Å; L1150-L1162 HydrophobicContact CD2-CD2 3.84Å; L1150-L1162 HydrophobicContact CD2-CG 4.02Å; L1150-L1162 PolarHBondContact O-N 2.96Å; L1150-L1163 HydrophobicContact CB-CB 4.06Å; L1150-L1163 PolarHBondContact O-N 2.91Å; L1150-F1286 HydrophobicContact CD1-CD2 4.08Å; L1150-F1286 HydrophobicContact CD1-CE2 3.44Å; L1150-F1286 VanDerWaalsContact CD1-CE2 3.44Å; L1150-F1286 HydrophobicContact CD1-CZ 4.14Å
1151P93.5Very high91.3Very high26 Ų2675.2 Ų75.217%0.16938%0.379CS..THydrogen-bonded Turntrans-73.5-28.2172.1-17.932.5000113.6R1149 L1163 E1289R1149-P1151 VanDerWaalsContact C-N 3.33Å; P1151-L1163 HydrophobicContact CG-CD2 4.16Å; P1151-E1289 WeakPolarHBondContact CB-OE2 3.42Å; P1151-E1289 HydrophobicContact CG-CB 4.44Å; P1151-E1289 HydrophobicContact CG-CG 4.39Å; P1151-E1289 WeakPolarHBondContact CG-OE1 3.49Å; P1151-E1289 VanDerWaalsContact CG-OE2 3.25Å; P1151-E1289 WeakPolarHBondContact CG-OE2 3.47Å
1152E93Very high91.6Very high136 Ų13673.9 Ų73.964%0.63636%0.36SS*.THydrogen-bonded Turntrans-76.5-44.4-172.9-53.5-178.5137.900112.1R1149R1149-E1152 WeakPolarHBondContact CG-OE2 3.3Å; R1149-E1152 WeakPolarHBondContact O-CB 3.4Å; R1149-E1152 PolarHBondContact O-N 3.35Å; R1149-E1152 VanDerWaalsContact O-N 3.08Å
1153V93.5Very high91.9Very high62 Ų6270.9 Ų70.938%0.37635%0.347SS..  trans-68.7129.7178.8-178.70000109.6R1149 S1161 L1162R1149-V1153 PolarHBondContact O-N 3.42Å; V1153-S1161 CarbonylContact O-C 3.57Å; V1153-S1161 VanDerWaalsContact O-CA 3.25Å; V1153-S1161 WeakPolarHBondContact O-CA 3.36Å; V1153-L1162 HydrophobicContact CB-CB 3.99Å; V1153-L1162 HydrophobicContact CB-CD2 4.33Å; V1153-L1162 HydrophobicContact CG1-CB 4.08Å; V1153-L1162 HydrophobicContact CG1-CD2 4.18Å; V1153-L1162 PolarHBondContact O-N 3.3Å
1154K92.8Very high92.2Very high134 Ų13470.7 Ų70.758%0.58334%0.342SS*.BIsolated β-bridgetrans-132152.5-176.2-69.9173.7-177.7179.70113.2N1160K1154-N1160 CarbonylContact C-O 3.52Å; K1154-N1160 WeakPolarHBondContact CA-O 3.07Å; K1154-N1160 WeakPolarHBondContact CB-O 3.27Å
1155D90.1Very high92.4Very high39 Ų3973.6 Ų73.621%0.20936%0.355CS..  trans-73.9160.2173.197.8-71.7000112.3K1157 Y1158 K1159 N1160D1155-K1157 WeakPolarHBondContact OD2-CA 3.27Å; D1155-K1157 WeakPolarHBondContact OD2-CB 3.25Å; D1155-K1157 PolarHBondContact OD2-N 2.77Å; D1155-Y1158 WeakPolarHBondContact OD1-CA 3.27Å; D1155-Y1158 PolarHBondContact OD1-N 2.97Å; D1155-Y1158 PolarHBondContact OD2-N 3.38Å; D1155-K1159 WeakPolarHBondContact O-CA 3.36Å; D1155-K1159 WeakPolarHBondContact OD1-CA 3.43Å; D1155-K1159 PolarHBondContact OD1-N 3.18Å; D1155-N1160 PolarHBondContact N-O 3.03Å; D1155-N1160 PolarHBondContact OD1-N 2.8Å
1156T87.8Confident92.6Very high149 Ų14972.1 Ų72.191%0.91435%0.348SS*.SBendtrans-86.2-21.5-176.750.20000114.2
1157K85.4Confident92.8Very high154 Ų15467.9 Ų67.967%0.6733%0.331SS*.SBendtrans-92.8-42-173.2-168.4178.3-179.5-160.80112.5D1155D1155-K1157 WeakPolarHBondContact OD2-CA 3.27Å; D1155-K1157 WeakPolarHBondContact OD2-CB 3.25Å; D1155-K1157 PolarHBondContact OD2-N 2.77Å
1158Y85.5Confident92.7Very high154 Ų15469.1 Ų69.160%0.60434%0.34SS*.SBendtrans-119.5-8.4-174.6-59.9-68.6000114.4D1155 N1160D1155-Y1158 WeakPolarHBondContact OD1-CA 3.27Å; D1155-Y1158 PolarHBondContact OD1-N 2.97Å; D1155-Y1158 PolarHBondContact OD2-N 3.38Å; Y1158-N1160 PolarHBondContact O-N 3.36Å
1159K89.2Confident92.8Very high168 Ų16869.9 Ų69.973%0.7333%0.334SS*.  trans60.423.9-173.6-55.8-178.3-179.6177.50113.9D1155D1155-K1159 WeakPolarHBondContact O-CA 3.36Å; D1155-K1159 WeakPolarHBondContact OD1-CA 3.43Å; D1155-K1159 PolarHBondContact OD1-N 3.18Å
1160N90.2Very high92.9Very high52 Ų5262.7 Ų62.728%0.27831%0.306SS..  trans-67.9146.5169.2-74.1-35.4000110.1K1154 D1155 Y1158 H1164K1154-N1160 CarbonylContact C-O 3.52Å; K1154-N1160 WeakPolarHBondContact CA-O 3.07Å; K1154-N1160 WeakPolarHBondContact CB-O 3.27Å; D1155-N1160 PolarHBondContact N-O 3.03Å; D1155-N1160 PolarHBondContact OD1-N 2.8Å; Y1158-N1160 PolarHBondContact O-N 3.36Å; N1160-H1164 HydrophobicContact CB-CB 4.29Å
1161S95.6Very high92.8Very high20 Ų2063.8 Ų63.814%0.1431%0.312CS..BIsolated β-bridgetrans-75.7156.7177.257.70000112.4V1153 L1163 H1164 H1165V1153-S1161 CarbonylContact O-C 3.57Å; V1153-S1161 VanDerWaalsContact O-CA 3.25Å; V1153-S1161 WeakPolarHBondContact O-CA 3.36Å; S1161-L1163 PolarHBondContact O-N 3.18Å; S1161-H1164 WeakPolarHBondContact O-CA 3.43Å; S1161-H1164 VanDerWaalsContact O-CB 3.31Å; S1161-H1164 WeakPolarHBondContact O-CB 3.13Å; S1161-H1164 PolarHBondContact O-N 2.84Å; S1161-H1164 PolarHBondContact OG-N 3.33Å; S1161-H1165 PolarHBondContact O-CD2 3.07Å; S1161-H1165 VanDerWaalsContact O-CD2 3.25Å; S1161-H1165 PolarHBondContact O-N 3.38Å
1162L95Very high92.6Very high18 Ų1866.8 Ų66.89%0.09433%0.327CS..Hα-helixtrans-57.7-33.8170.2179.856.2000110.9L1127 I1130 L1150 V1153 H1164 H1165 V1166L1127-L1162 HydrophobicContact CD1-CD2 4.4Å; I1130-L1162 HydrophobicContact CG2-CD1 3.88Å; L1150-L1162 HydrophobicContact CD2-CD2 3.84Å; L1150-L1162 HydrophobicContact CD2-CG 4.02Å; L1150-L1162 PolarHBondContact O-N 2.96Å; V1153-L1162 HydrophobicContact CB-CB 3.99Å; V1153-L1162 HydrophobicContact CB-CD2 4.33Å; V1153-L1162 HydrophobicContact CG1-CB 4.08Å; V1153-L1162 HydrophobicContact CG1-CD2 4.18Å; V1153-L1162 PolarHBondContact O-N 3.3Å; L1162-H1164 PolarHBondContact O-N 2.91Å; L1162-H1165 PolarHBondContact O-N 3.37Å; L1162-V1166 HydrophobicContact CD1-CG2 4.48Å; L1162-V1166 WeakPolarHBondContact O-CG2 3.43Å; L1162-V1166 PolarHBondContact O-N 3.31Å
1163L96.9Very high92.6Very high0 Ų066.3 Ų66.30%033%0.325CS..Hα-helixtrans-58.2-41.6169.6-176.553000113.4L1150 P1151 S1161 V1166 C1167 F1286 E1289 Y1290 T1293L1150-L1163 HydrophobicContact CB-CB 4.06Å; L1150-L1163 PolarHBondContact O-N 2.91Å; P1151-L1163 HydrophobicContact CG-CD2 4.16Å; S1161-L1163 PolarHBondContact O-N 3.18Å; L1163-V1166 PolarHBondContact O-N 3.47Å; L1163-C1167 WeakPolarHBondContact O-CB 3.44Å; L1163-C1167 PolarHBondContact O-N 3.2Å; L1163-F1286 HydrophobicContact CD1-CE2 3.7Å; L1163-F1286 HydrophobicContact CD1-CZ 4.16Å; L1163-E1289 HydrophobicContact CD2-CB 3.76Å; L1163-Y1290 HydrophobicContact CD1-CD2 4.06Å; L1163-T1293 HydrophobicContact CG-CG2 4.27Å
1164H95.5Very high92.6Very high54 Ų5466 Ų6625%0.2532%0.318CS..Hα-helixtrans-62.1-42.6175.2176.599.4000111.6N1160 S1161 L1162 C1167 S1168 T1293 I1297N1160-H1164 HydrophobicContact CB-CB 4.29Å; S1161-H1164 WeakPolarHBondContact O-CA 3.43Å; S1161-H1164 VanDerWaalsContact O-CB 3.31Å; S1161-H1164 WeakPolarHBondContact O-CB 3.13Å; S1161-H1164 PolarHBondContact O-N 2.84Å; S1161-H1164 PolarHBondContact OG-N 3.33Å; L1162-H1164 PolarHBondContact O-N 2.91Å; H1164-C1167 PolarHBondContact O-N 2.97Å; H1164-S1168 PolarHBondContact O-N 3.46Å; H1164-T1293 HydrophobicContact CB-CG2 4.08Å; H1164-I1297 WeakPolarHBondContact O-CD1 3.49Å
1165H94.9Very high92.3Very high68 Ų6864.3 Ų64.332%0.31532%0.321SS..Hα-helixtrans-66.7-45.8177-68.3-72.3000112.6S1161 L1162 C1167 S1168 I1169S1161-H1165 PolarHBondContact O-CD2 3.07Å; S1161-H1165 VanDerWaalsContact O-CD2 3.25Å; S1161-H1165 PolarHBondContact O-N 3.38Å; L1162-H1165 PolarHBondContact O-N 3.37Å; H1165-C1167 VanDerWaalsContact C-N 3.33Å; H1165-C1167 PolarHBondContact O-N 3.49Å; H1165-S1168 PolarHBondContact O-N 3.22Å; H1165-I1169 WeakPolarHBondContact O-CD1 3.48Å; H1165-I1169 WeakPolarHBondContact O-CG1 3.47Å; H1165-I1169 PolarHBondContact O-N 3.01Å
1166V96Very high92.1Very high0 Ų068.7 Ų68.70%034%0.344CS..Hα-helixtrans-57.6-47173.41720000110.4I1123 V1126 L1127 I1130 L1162 L1163 I1169 V1170I1123-V1166 HydrophobicContact CG2-CG1 4.2Å; V1126-V1166 HydrophobicContact CG1-CB 4.45Å; V1126-V1166 HydrophobicContact CG1-CG1 4.1Å; L1127-V1166 HydrophobicContact CB-CG2 4.35Å; L1127-V1166 HydrophobicContact CD1-CG2 4.25Å; I1130-V1166 HydrophobicContact CD1-CG2 3.91Å; L1162-V1166 HydrophobicContact CD1-CG2 4.48Å; L1162-V1166 WeakPolarHBondContact O-CG2 3.43Å; L1162-V1166 PolarHBondContact O-N 3.31Å; L1163-V1166 PolarHBondContact O-N 3.47Å; V1166-I1169 PolarHBondContact O-N 3.17Å; V1166-V1170 HydrophobicContact CG1-CG2 4.34Å; V1166-V1170 WeakPolarHBondContact O-CB 3.3Å; V1166-V1170 VanDerWaalsContact O-CG2 3.3Å; V1166-V1170 WeakPolarHBondContact O-CG2 3.5Å; V1166-V1170 PolarHBondContact O-N 3.39Å
1167C96.5Very high92.3Very high0 Ų061.7 Ų61.70%030%0.302CS..Hα-helixtrans-66.9-40.6-177.3-170.30000112.9L1163 H1164 H1165 V1170 L1171 Y1290 T1293 R1294 I1297L1163-C1167 WeakPolarHBondContact O-CB 3.44Å; L1163-C1167 PolarHBondContact O-N 3.2Å; H1164-C1167 PolarHBondContact O-N 2.97Å; H1165-C1167 VanDerWaalsContact C-N 3.33Å; H1165-C1167 PolarHBondContact O-N 3.49Å; C1167-V1170 PolarHBondContact O-N 3.22Å; C1167-L1171 WeakPolarHBondContact O-CG 3.46Å; C1167-L1171 PolarHBondContact O-N 3.47Å; C1167-Y1290 HydrophobicContact CB-CD2 4.28Å; C1167-Y1290 HydrophobicContact CB-CE2 3.87Å; C1167-Y1290 VanDerWaalsContact SG-CE2 3.56Å; C1167-T1293 HydrophobicContact CB-CG2 4.14Å; C1167-R1294 WeakPolarHBondContact SG-CA 3.05Å; C1167-R1294 VanDerWaalsContact SG-CB 3.53Å; C1167-I1297 HydrophobicContact CB-CD1 3.75Å
1168S94Very high92.6Very high26 Ų2656.7 Ų56.718%0.18228%0.284CS..Hα-helixtrans-60-50.1172.6-170.60000110.9H1164 H1165 V1170 L1171 D1172 R1301H1164-S1168 PolarHBondContact O-N 3.46Å; H1165-S1168 PolarHBondContact O-N 3.22Å; S1168-V1170 VanDerWaalsContact C-N 3.28Å; S1168-V1170 PolarHBondContact O-N 3.12Å; S1168-L1171 WeakPolarHBondContact O-CB 3.47Å; S1168-L1171 PolarHBondContact O-N 3.02Å; S1168-L1171 VanDerWaalsContact O-N 3.09Å; S1168-D1172 WeakPolarHBondContact O-CB 3.39Å; S1168-D1172 PolarHBondContact O-N 2.72Å; S1168-D1172 PolarHBondContact OG-OD2 2.93Å; S1168-D1172 VanDerWaalsContact OG-OD2 3.06Å; S1168-R1301 PolarHBondContact OG-NH2 2.98Å
1169I94.3Very high92.9Very high56 Ų5650.5 Ų50.529%0.28726%0.261SS..Hα-helixtrans-62.9-35.8-178.8-67163.8000111.3V1126 I1130 H1165 V1166 D1172 Q1173V1126-I1169 HydrophobicContact CG1-CB 3.95Å; V1126-I1169 HydrophobicContact CG1-CG2 3.67Å; V1126-I1169 HydrophobicContact CG2-CG2 4.01Å; I1130-I1169 HydrophobicContact CD1-CD1 3.87Å; H1165-I1169 WeakPolarHBondContact O-CD1 3.48Å; H1165-I1169 WeakPolarHBondContact O-CG1 3.47Å; H1165-I1169 PolarHBondContact O-N 3.01Å; V1166-I1169 PolarHBondContact O-N 3.17Å; I1169-D1172 PolarHBondContact O-N 3.4Å; I1169-Q1173 HydrophobicContact CG2-CG 4.28Å; I1169-Q1173 WeakPolarHBondContact O-CB 3.16Å; I1169-Q1173 WeakPolarHBondContact O-CG 3.34Å; I1169-Q1173 PolarHBondContact O-N 2.92Å
1170V95.9Very high93Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-66.2-42173.6170.40000111.6I1123 V1126 V1166 C1167 S1168 D1172 F1174 Y1290I1123-V1170 HydrophobicContact CG1-CG2 4.17Å; V1126-V1170 HydrophobicContact CB-CG2 4.12Å; V1126-V1170 HydrophobicContact CG1-CG2 4.42Å; V1126-V1170 HydrophobicContact CG2-CG2 3.83Å; V1166-V1170 HydrophobicContact CG1-CG2 4.34Å; V1166-V1170 WeakPolarHBondContact O-CB 3.3Å; V1166-V1170 VanDerWaalsContact O-CG2 3.3Å; V1166-V1170 WeakPolarHBondContact O-CG2 3.5Å; V1166-V1170 PolarHBondContact O-N 3.39Å; C1167-V1170 PolarHBondContact O-N 3.22Å; S1168-V1170 VanDerWaalsContact C-N 3.28Å; S1168-V1170 PolarHBondContact O-N 3.12Å; V1170-D1172 VanDerWaalsContact C-N 3.34Å; V1170-F1174 CarbonylContact O-C 3.56Å; V1170-F1174 WeakPolarHBondContact O-CA 3.37Å; V1170-F1174 WeakPolarHBondContact O-CB 3.24Å; V1170-F1174 PolarHBondContact O-N 2.94Å; V1170-F1174 VanDerWaalsContact O-O 3.12Å; V1170-Y1290 WeakPolarHBondContact CG1-OH 2.97Å
1171L93.4Very high93.2Very high23 Ų2342.6 Ų42.612%0.1223%0.225CC..Hα-helixtrans-65.2-35.5174.2-72.8168.5000112.7C1167 S1168 R1294 I1297 I1298C1167-L1171 WeakPolarHBondContact O-CG 3.46Å; C1167-L1171 PolarHBondContact O-N 3.47Å; S1168-L1171 WeakPolarHBondContact O-CB 3.47Å; S1168-L1171 PolarHBondContact O-N 3.02Å; S1168-L1171 VanDerWaalsContact O-N 3.09Å; L1171-R1294 HydrophobicContact CD1-CG 4.17Å; L1171-R1294 HydrophobicContact CD2-CG 4.05Å; L1171-R1294 HydrophobicContact CG-CG 4.4Å; L1171-I1297 HydrophobicContact CD1-CB 4.09Å; L1171-I1297 HydrophobicContact CD1-CG2 3.64Å; L1171-I1298 HydrophobicContact CD1-CG1 4.08Å; L1171-I1298 HydrophobicContact CD2-CD1 4.17Å; L1171-I1298 HydrophobicContact CD2-CG1 4.4Å
1172D90.4Very high93.1Very high89 Ų8946 Ų4648%0.47625%0.249SC..Hα-helixtrans-77.1-37.8-178.3-67.9-43.2000113S1168 I1169 V1170 R1301S1168-D1172 WeakPolarHBondContact O-CB 3.39Å; S1168-D1172 PolarHBondContact O-N 2.72Å; S1168-D1172 PolarHBondContact OG-OD2 2.93Å; S1168-D1172 VanDerWaalsContact OG-OD2 3.06Å; I1169-D1172 PolarHBondContact O-N 3.4Å; V1170-D1172 VanDerWaalsContact C-N 3.34Å; D1172-R1301 IonicContact OD1-CZ 3.29Å; D1172-R1301 IonicContact OD1-NH1 2.65Å; D1172-R1301 PolarHBondContact OD1-NH1 2.61Å; D1172-R1301 IonicContact OD1-NH2 3.65Å; D1172-R1301 PolarHBondContact OD1-NH2 3.25Å; D1172-R1301 IonicContact OD2-CZ 3.1Å; D1172-R1301 IonicContact OD2-NH2 2.62Å; D1172-R1301 PolarHBondContact OD2-NH2 2.94Å
1173Q92.7Very high93Very high126 Ų12648.4 Ų48.459%0.58926%0.26SS*.Hα-helixtrans-94.3-24.3-178.7-64.2-174.43.400113.7I1169I1169-Q1173 HydrophobicContact CG2-CG 4.28Å; I1169-Q1173 WeakPolarHBondContact O-CB 3.16Å; I1169-Q1173 WeakPolarHBondContact O-CG 3.34Å; I1169-Q1173 PolarHBondContact O-N 2.92Å
1174F93.1Very high92.9Very high56 Ų5648.4 Ų48.425%0.24626%0.26CS..  trans-134.178.7-177.7-48.4-76000110.3Y1122 V1126 V1170 D1176 S1177Y1122-F1174 HydrophobicContact CD1-CD1 4.06Å; Y1122-F1174 HydrophobicContact CD1-CD2 4.47Å; Y1122-F1174 HydrophobicContact CD1-CE1 4.15Å; Y1122-F1174 HydrophobicContact CD1-CG 4.23Å; Y1122-F1174 HydrophobicContact CD1-CZ 4.41Å; Y1122-F1174 HydrophobicContact CD2-CB 3.7Å; Y1122-F1174 HydrophobicContact CD2-CD1 4.22Å; Y1122-F1174 HydrophobicContact CD2-CD2 4.24Å; Y1122-F1174 AromaticContact CD2-CG 3.78Å; Y1122-F1174 HydrophobicContact CD2-CG 3.78Å; Y1122-F1174 HydrophobicContact CE1-CD1 4.08Å; Y1122-F1174 HydrophobicContact CE1-CE1 4.31Å; Y1122-F1174 HydrophobicContact CE2-CB 3.9Å; Y1122-F1174 HydrophobicContact CE2-CD1 4.22Å; Y1122-F1174 HydrophobicContact CE2-CG 4.12Å; Y1122-F1174 HydrophobicContact CG-CB 4.27Å; Y1122-F1174 HydrophobicContact CG-CD1 4.15Å; Y1122-F1174 AromaticContact CG-CD2 3.96Å; Y1122-F1174 HydrophobicContact CG-CD2 3.96Å; Y1122-F1174 HydrophobicContact CG-CE2 4.38Å; Y1122-F1174 AromaticContact CG-CG 3.84Å; Y1122-F1174 HydrophobicContact CG-CG 3.84Å; V1126-F1174 HydrophobicContact CG2-CE2 4.1Å; V1170-F1174 CarbonylContact O-C 3.56Å; V1170-F1174 WeakPolarHBondContact O-CA 3.37Å; V1170-F1174 WeakPolarHBondContact O-CB 3.24Å; V1170-F1174 PolarHBondContact O-N 2.94Å; V1170-F1174 VanDerWaalsContact O-O 3.12Å; F1174-D1176 PolarHBondContact O-N 2.81Å; F1174-S1177 WeakPolarHBondContact O-CB 3.47Å; F1174-S1177 PolarHBondContact O-N 3.45Å; F1174-S1177 PolarHBondContact O-OG 3.43Å
1175P87Confident92.8Very high98 Ų9846.9 Ų46.964%0.63626%0.259SS*.THydrogen-bonded Turntrans-55.7-32.8177.4-26.536.2000113.1S1177P1175-S1177 PolarHBondContact O-N 3.35Å
1176D86.1Confident92.8Very high131 Ų13143.7 Ų43.770%0.70124%0.244SC*.THydrogen-bonded Turntrans-62.7-1.2172.8-57.39.3000114.5F1174 T1178F1174-D1176 PolarHBondContact O-N 2.81Å; D1176-T1178 PolarHBondContact O-N 2.86Å
1177S91.4Very high92.8Very high2 Ų243.8 Ų43.81%0.01425%0.245CC..  trans-72.3123-177.258.90000112.3F1174 P1175 R1294F1174-S1177 WeakPolarHBondContact O-CB 3.47Å; F1174-S1177 PolarHBondContact O-N 3.45Å; F1174-S1177 PolarHBondContact O-OG 3.43Å; P1175-S1177 PolarHBondContact O-N 3.35Å; S1177-R1294 PolarHBondContact O-NE 2.88Å; S1177-R1294 PolarHBondContact O-NH2 3.37Å
1178T91.8Very high92.7Very high49 Ų4944.5 Ų44.530%0.30125%0.25SC..  trans-86.8179.7-17351.60000112.9T1119 D1176 E1183 R1294T1119-T1178 PolarHBondContact OG1-N 3.35Å; T1119-T1178 PolarHBondContact OG1-OG1 3.41Å; D1176-T1178 PolarHBondContact O-N 2.86Å; T1178-E1183 WeakPolarHBondContact CB-OE1 3.49Å; T1178-E1183 WeakPolarHBondContact CG2-OE1 3.13Å; T1178-E1183 PolarHBondContact OG1-OE1 3.14Å; T1178-R1294 PolarHBondContact O-NE 3.2Å
1179D91.3Very high92.8Very high24 Ų2448.7 Ų48.713%0.12826%0.261CS..  trans-76.1119.5160.7172.433.6000110.5H1181 S1182 E1183 R1291D1179-H1181 VanDerWaalsContact C-N 3.31Å; D1179-H1181 PolarHBondContact O-N 3.4Å; D1179-H1181 PolarHBondContact OD1-N 2.92Å; D1179-S1182 PolarHBondContact O-N 3.49Å; D1179-S1182 WeakPolarHBondContact OD2-CB 3.44Å; D1179-S1182 PolarHBondContact OD2-N 2.91Å; D1179-S1182 PolarHBondContact OD2-OG 2.86Å; D1179-S1182 VanDerWaalsContact OD2-OG 3.1Å; D1179-E1183 PolarHBondContact O-N 3.29Å; D1179-E1183 VanDerWaalsContact O-N 3.13Å; D1179-R1291 WeakPolarHBondContact OD1-CB 3.39Å; D1179-R1291 VanDerWaalsContact OD1-CG 3.23Å; D1179-R1291 WeakPolarHBondContact OD1-CG 3.25Å; D1179-R1291 WeakPolarHBondContact OD2-CD 3.36Å
1180L92.2Very high92.9Very high0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-65.8-31.7177.9-173.163.2000112.5C1117 L1120 I1123 E1183 L1184 F1286 A1287 Y1290C1117-L1180 WeakPolarHBondContact SG-CD1 3.32Å; L1120-L1180 HydrophobicContact CB-CD1 3.94Å; L1120-L1180 HydrophobicContact CD1-CD2 4.32Å; I1123-L1180 HydrophobicContact CD1-CD2 3.92Å; L1180-E1183 PolarHBondContact O-N 3.45Å; L1180-L1184 HydrophobicContact CD1-CD1 3.7Å; L1180-L1184 HydrophobicContact CD1-CG 3.92Å; L1180-L1184 HydrophobicContact CG-CD1 3.94Å; L1180-L1184 HydrophobicContact CG-CG 4.36Å; L1180-L1184 WeakPolarHBondContact O-CB 3.43Å; L1180-L1184 WeakPolarHBondContact O-CG 3.19Å; L1180-L1184 PolarHBondContact O-N 3.01Å; L1180-F1286 HydrophobicContact CD2-CD1 3.86Å; L1180-F1286 HydrophobicContact CD2-CE1 3.61Å; L1180-A1287 HydrophobicContact CB-CB 4.28Å; L1180-A1287 HydrophobicContact CD2-CB 4.07Å; L1180-A1287 HydrophobicContact CG-CB 3.88Å; L1180-Y1290 HydrophobicContact CB-CD1 3.78Å; L1180-Y1290 HydrophobicContact CB-CE1 4.31Å
1181H94.1Very high92.7Very high54 Ų5449.2 Ų49.225%0.2526%0.263CS..Hα-helixtrans-72.7-32.9179.7-176.4-77000112D1179 A1287 R1291D1179-H1181 VanDerWaalsContact C-N 3.31Å; D1179-H1181 PolarHBondContact O-N 3.4Å; D1179-H1181 PolarHBondContact OD1-N 2.92Å; H1181-A1287 HydrophobicContact CB-CB 4.14Å; H1181-R1291 HydrophobicContact CB-CB 4.21Å
1182S93Very high92.7Very high92 Ų9258.3 Ų58.364%0.64330%0.296SS*.Hα-helixtrans-73.1-35.7170.4-78.40000113.9D1179D1179-S1182 PolarHBondContact O-N 3.49Å; D1179-S1182 WeakPolarHBondContact OD2-CB 3.44Å; D1179-S1182 PolarHBondContact OD2-N 2.91Å; D1179-S1182 PolarHBondContact OD2-OG 2.86Å; D1179-S1182 VanDerWaalsContact OD2-OG 3.1Å
1183E91.6Very high92.9Very high68 Ų6855.8 Ų55.832%0.31828%0.283SS..Hα-helixtrans-71.4-37.1176-82.9-167.1-165.500113.3C1117 T1178 D1179 L1180 G1185C1117-E1183 PolarHBondContact SG-OE2 2.73Å; T1178-E1183 WeakPolarHBondContact CB-OE1 3.49Å; T1178-E1183 WeakPolarHBondContact CG2-OE1 3.13Å; T1178-E1183 PolarHBondContact OG1-OE1 3.14Å; D1179-E1183 PolarHBondContact O-N 3.29Å; D1179-E1183 VanDerWaalsContact O-N 3.13Å; L1180-E1183 PolarHBondContact O-N 3.45Å; E1183-G1185 PolarHBondContact O-N 3.28Å
1184L94.8Very high93Very high0 Ų054.4 Ų54.40%028%0.28CS..THydrogen-bonded Turntrans-91.238.9-177.2-60.8-174.5000112.9E1113 L1114 C1117 L1180 A1186 L1187 C1188E1113-L1184 HydrophobicContact CB-CD2 4.17Å; E1113-L1184 VanDerWaalsContact OE2-C 3.24Å; L1114-L1184 HydrophobicContact CD1-CD1 4.48Å; L1114-L1184 HydrophobicContact CD1-CD2 4.34Å; C1117-L1184 HydrophobicContact CB-CD2 4.32Å; L1180-L1184 HydrophobicContact CD1-CD1 3.7Å; L1180-L1184 HydrophobicContact CD1-CG 3.92Å; L1180-L1184 HydrophobicContact CG-CD1 3.94Å; L1180-L1184 HydrophobicContact CG-CG 4.36Å; L1180-L1184 WeakPolarHBondContact O-CB 3.43Å; L1180-L1184 WeakPolarHBondContact O-CG 3.19Å; L1180-L1184 PolarHBondContact O-N 3.01Å; L1184-A1186 PolarHBondContact O-N 3.47Å; L1184-L1187 HydrophobicContact CB-CB 4.15Å; L1184-L1187 WeakPolarHBondContact O-CB 3.32Å; L1184-L1187 PolarHBondContact O-N 3.45Å; L1184-C1188 PolarHBondContact O-N 2.98Å
1185G94Very high93.1Very high23 Ų2352.9 Ų52.924%0.23727%0.272CS..THydrogen-bonded Turntrans-62.4-33.6-170.200000115.1E1113 E1183 R1189E1113-G1185 PolarHBondContact OE2-N 3.36Å; E1183-G1185 PolarHBondContact O-N 3.28Å; G1185-R1189 VanDerWaalsContact C-NH1 3.27Å; G1185-R1189 PolarHBondContact O-NH1 3.33Å
1186A95.8Very high93.4Very high0 Ų053.7 Ų53.70%027%0.271CS..THydrogen-bonded Turntrans-79.8-34.2174.100000112.4Q1109 A1110 E1113 L1184 C1188 R1189 C1190Q1109-A1186 HydrophobicContact CB-CB 3.68Å; A1110-A1186 HydrophobicContact CB-CB 4.22Å; E1113-A1186 WeakPolarHBondContact OE1-CB 3.4Å; E1113-A1186 PolarHBondContact OE1-N 2.92Å; E1113-A1186 VanDerWaalsContact OE1-N 3.13Å; E1113-A1186 WeakPolarHBondContact OE2-CA 3.45Å; E1113-A1186 WeakPolarHBondContact OE2-CB 2.97Å; E1113-A1186 PolarHBondContact OE2-N 2.95Å; L1184-A1186 PolarHBondContact O-N 3.47Å; A1186-C1188 VanDerWaalsContact C-N 3.3Å; A1186-C1188 PolarHBondContact O-N 3.3Å; A1186-R1189 WeakPolarHBondContact O-CA 3.17Å; A1186-R1189 WeakPolarHBondContact O-CB 3.35Å; A1186-R1189 PolarHBondContact O-N 3.33Å; A1186-C1190 PolarHBondContact O-N 3.16Å; A1186-C1190 PolarHBondContact O-SG 3.38Å
1187L95.3Very high93.8Very high2 Ų250.7 Ų50.71%0.0125%0.253CS..Hα-helixtrans-61-40.2173.7-177145.2000111.4A1110 E1113 L1114 L1184 R1189 C1190 H1191 C1280 L1283 A1284A1110-L1187 HydrophobicContact CB-CB 3.89Å; E1113-L1187 PolarHBondContact OE2-N 2.85Å; L1114-L1187 HydrophobicContact CD1-CD1 4.36Å; L1184-L1187 HydrophobicContact CB-CB 4.15Å; L1184-L1187 WeakPolarHBondContact O-CB 3.32Å; L1184-L1187 PolarHBondContact O-N 3.45Å; L1187-R1189 PolarHBondContact O-N 3.01Å; L1187-C1190 WeakPolarHBondContact O-CB 3.36Å; L1187-C1190 PolarHBondContact O-N 3.31Å; L1187-H1191 PolarHBondContact O-N 2.91Å; L1187-C1280 WeakPolarHBondContact CD2-O 3.44Å; L1187-C1280 HydrophobicContact CG-CB 4.23Å; L1187-L1283 HydrophobicContact CD1-CB 3.96Å; L1187-L1283 HydrophobicContact CD1-CD1 3.84Å; L1187-L1283 HydrophobicContact CD2-CB 3.67Å; L1187-L1283 HydrophobicContact CG-CB 4.46Å; L1187-A1284 HydrophobicContact CD2-CB 4.06Å
1188C95Very high94Very high16 Ų1650.8 Ų50.811%0.10825%0.253CS..Hα-helixtrans-65.3-19.4173-71.20000114.2L1184 A1186L1184-C1188 PolarHBondContact O-N 2.98Å; A1186-C1188 VanDerWaalsContact C-N 3.3Å; A1186-C1188 PolarHBondContact O-N 3.3Å
1189R95.3Very high94.2Very high113 Ų11350.5 Ų50.543%0.42625%0.252SS..Hα-helixtrans-83.7-44168.7-63.2-171-58.6-85.69.5111.4D1106 G1185 A1186 L1187 H1191 R1192D1106-R1189 IonicContact OD1-CZ 2.97Å; D1106-R1189 VanDerWaalsContact OD1-CZ 3.29Å; D1106-R1189 IonicContact OD1-NE 3.17Å; D1106-R1189 PolarHBondContact OD1-NE 2.91Å; D1106-R1189 IonicContact OD1-NH2 3.65Å; D1106-R1189 PolarHBondContact OD1-NH2 2.86Å; D1106-R1189 VanDerWaalsContact OD2-CB 3.26Å; D1106-R1189 WeakPolarHBondContact OD2-CB 3.5Å; D1106-R1189 WeakPolarHBondContact OD2-CD 3.19Å; D1106-R1189 IonicContact OD2-CZ 3.72Å; D1106-R1189 IonicContact OD2-NE 2.78Å; D1106-R1189 PolarHBondContact OD2-NE 3.34Å; D1106-R1189 IonicContact OD2-NH2 3.88Å; G1185-R1189 VanDerWaalsContact C-NH1 3.27Å; G1185-R1189 PolarHBondContact O-NH1 3.33Å; A1186-R1189 WeakPolarHBondContact O-CA 3.17Å; A1186-R1189 WeakPolarHBondContact O-CB 3.35Å; A1186-R1189 PolarHBondContact O-N 3.33Å; L1187-R1189 PolarHBondContact O-N 3.01Å; R1189-H1191 PolarHBondContact O-N 3.22Å; R1189-R1192 WeakPolarHBondContact O-CB 3.17Å; R1189-R1192 PolarHBondContact O-N 3.03Å
1190C96.2Very high94.4Very high0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-56-36176.7-64.70000113.4D1106 L1107 A1186 L1187 R1192 V1193 W1195 C1280D1106-C1190 PolarHBondContact O-SG 3.24Å; L1107-C1190 VanDerWaalsContact CA-SG 3.51Å; L1107-C1190 PolarHBondContact N-SG 3.15Å; L1107-C1190 VanDerWaalsContact N-SG 3.37Å; A1186-C1190 PolarHBondContact O-N 3.16Å; A1186-C1190 PolarHBondContact O-SG 3.38Å; L1187-C1190 WeakPolarHBondContact O-CB 3.36Å; L1187-C1190 PolarHBondContact O-N 3.31Å; C1190-R1192 PolarHBondContact O-N 3.04Å; C1190-V1193 PolarHBondContact O-N 3.17Å; C1190-W1195 HydrophobicContact CB-CZ2 4.2Å; C1190-W1195 PolarHBondContact O-NE1 3.23Å; C1190-C1280 HydrophobicContact CB-CB 4.12Å
1191H92.7Very high94.6Very high68 Ų6859 Ų5932%0.31529%0.286SS..THydrogen-bonded Turntrans-55.5-34.3173.6167.127.6000112.8L1187 R1189 V1193 C1280 A1284L1187-H1191 PolarHBondContact O-N 2.91Å; R1189-H1191 PolarHBondContact O-N 3.22Å; H1191-V1193 VanDerWaalsContact C-N 3.32Å; H1191-V1193 PolarHBondContact O-N 3.11Å; H1191-C1280 HydrophobicContact CB-CB 4.16Å; H1191-A1284 HydrophobicContact CB-CB 4.18Å
1192R92.7Very high94.8Very high214 Ų21456.8 Ų56.881%0.80828%0.275SS*.THydrogen-bonded Turntrans-85.50.4-174.7-56.2-178-176.4-160.4-2.4114.2R1189 C1190R1189-R1192 WeakPolarHBondContact O-CB 3.17Å; R1189-R1192 PolarHBondContact O-N 3.03Å; C1190-R1192 PolarHBondContact O-N 3.04Å
1193V94.9Very high95Very high35 Ų3558.6 Ų58.621%0.21227%0.274CS..SBendtrans-93.6136.2-178.7175.10000110.1P1103 C1190 H1191 W1195P1103-V1193 HydrophobicContact CB-CG1 3.99Å; P1103-V1193 HydrophobicContact CB-CG2 4.07Å; P1103-V1193 HydrophobicContact CG-CG1 4.24Å; P1103-V1193 HydrophobicContact CG-CG2 4.16Å; C1190-V1193 PolarHBondContact O-N 3.17Å; H1191-V1193 VanDerWaalsContact C-N 3.32Å; H1191-V1193 PolarHBondContact O-N 3.11Å; V1193-W1195 HydrophobicContact CB-CZ2 4.12Å; V1193-W1195 HydrophobicContact CG1-CD2 4.14Å; V1193-W1195 HydrophobicContact CG1-CG 4.39Å; V1193-W1195 HydrophobicContact CG1-CZ2 4.09Å; V1193-W1195 HydrophobicContact CG2-CZ2 4.49Å; V1193-W1195 PolarHBondContact O-N 3.08Å
1194D94.3Very high95.2Very high97 Ų9761.7 Ų61.752%0.51929%0.286SS..  trans-77.799.1165.7-172.9-27000109.6D1196 E1197 L1198D1194-D1196 VanDerWaalsContact C-N 3.31Å; D1194-D1196 PolarHBondContact OD1-N 2.85Å; D1194-E1197 HydrophobicContact CB-CB 4.11Å; D1194-E1197 VanDerWaalsContact CG-CB 3.49Å; D1194-E1197 WeakPolarHBondContact OD1-CB 3.15Å; D1194-E1197 PolarHBondContact OD1-N 3.28Å; D1194-L1198 PolarHBondContact O-N 3.41Å
1195W94.9Very high95.3Very high25 Ų2561.9 Ų61.910%0.09529%0.287CS..THydrogen-bonded Turntrans-76.3-16.9-179.1-69.594000113.8P1103 L1107 C1190 V1193 L1198 P1199 V1276P1103-W1195 HydrophobicContact CB-CH2 4.18Å; P1103-W1195 WeakPolarHBondContact O-CH2 3.48Å; L1107-W1195 HydrophobicContact CB-CH2 3.68Å; L1107-W1195 HydrophobicContact CB-CZ2 4.23Å; L1107-W1195 HydrophobicContact CD2-CH2 3.7Å; L1107-W1195 HydrophobicContact CD2-CZ2 4.44Å; L1107-W1195 HydrophobicContact CD2-CZ3 3.76Å; L1107-W1195 HydrophobicContact CG-CH2 4.23Å; C1190-W1195 HydrophobicContact CB-CZ2 4.2Å; C1190-W1195 PolarHBondContact O-NE1 3.23Å; V1193-W1195 HydrophobicContact CB-CZ2 4.12Å; V1193-W1195 HydrophobicContact CG1-CD2 4.14Å; V1193-W1195 HydrophobicContact CG1-CG 4.39Å; V1193-W1195 HydrophobicContact CG1-CZ2 4.09Å; V1193-W1195 HydrophobicContact CG2-CZ2 4.49Å; V1193-W1195 PolarHBondContact O-N 3.08Å; W1195-L1198 HydrophobicContact CE3-CD2 3.58Å; W1195-L1198 HydrophobicContact CH2-CD2 4.23Å; W1195-L1198 HydrophobicContact CZ3-CD2 3.36Å; W1195-P1199 WeakPolarHBondContact O-CD 3.14Å; W1195-V1276 HydrophobicContact CD2-CB 3.72Å; W1195-V1276 HydrophobicContact CD2-CG1 3.8Å; W1195-V1276 HydrophobicContact CD2-CG2 4.3Å; W1195-V1276 VanDerWaalsContact CE2-CG1 3.47Å; W1195-V1276 HydrophobicContact CE3-CB 4.21Å; W1195-V1276 HydrophobicContact CE3-CG1 4.32Å; W1195-V1276 HydrophobicContact CE3-CG2 4.29Å; W1195-V1276 HydrophobicContact CG-CB 3.83Å; W1195-V1276 HydrophobicContact CG-CG1 4.26Å; W1195-V1276 HydrophobicContact CH2-CG1 4.37Å; W1195-V1276 HydrophobicContact CZ2-CG1 3.81Å
1196D92.8Very high95.4Very high114 Ų11462.7 Ų62.761%0.6128%0.284SS*.THydrogen-bonded Turntrans-85.5-25.7177.4-62.6-36.2000110.9D1194 K1200D1194-D1196 VanDerWaalsContact C-N 3.31Å; D1194-D1196 PolarHBondContact OD1-N 2.85Å; D1196-K1200 WeakPolarHBondContact O-CE 3.35Å; D1196-K1200 PolarHBondContact O-NZ 2.93Å
1197E94.6Very high95.4Very high69 Ų6965.1 Ų65.132%0.32230%0.3SS..THydrogen-bonded Turntrans-87.4-28.1173.4-169.258.2-15800113.6D1194 K1200 R1201D1194-E1197 HydrophobicContact CB-CB 4.11Å; D1194-E1197 VanDerWaalsContact CG-CB 3.49Å; D1194-E1197 WeakPolarHBondContact OD1-CB 3.15Å; D1194-E1197 PolarHBondContact OD1-N 3.28Å; E1197-K1200 PolarHBondContact O-N 3.1Å; E1197-K1200 VanDerWaalsContact O-N 3.12Å; E1197-K1200 WeakPolarHBondContact OE2-CD 3.31Å; E1197-K1200 IonicContact OE2-NZ 3.27Å; E1197-K1200 PolarHBondContact OE2-NZ 2.75Å; E1197-R1201 HydrophobicContact CG-CG 4.2Å; E1197-R1201 WeakPolarHBondContact O-CG 3.36Å; E1197-R1201 PolarHBondContact O-N 3.42Å
1198L95.6Very high95.4Very high4 Ų467 Ų672%0.02131%0.31CS..Hα-helixtrans-50.3-48.3176.6-166.373.1000114.7I1100 P1103 L1104 D1194 W1195 R1201 L1202 Y1250I1100-L1198 HydrophobicContact CB-CD1 4.41Å; I1100-L1198 HydrophobicContact CG1-CD1 4.47Å; I1100-L1198 HydrophobicContact CG2-CD1 4.2Å; P1103-L1198 HydrophobicContact CB-CD1 4.18Å; P1103-L1198 HydrophobicContact CB-CD2 4.39Å; P1103-L1198 HydrophobicContact CG-CD1 4.22Å; L1104-L1198 HydrophobicContact CD2-CD2 4.35Å; L1104-L1198 HydrophobicContact CG-CD2 4.45Å; D1194-L1198 PolarHBondContact O-N 3.41Å; W1195-L1198 HydrophobicContact CE3-CD2 3.58Å; W1195-L1198 HydrophobicContact CH2-CD2 4.23Å; W1195-L1198 HydrophobicContact CZ3-CD2 3.36Å; L1198-R1201 PolarHBondContact O-N 3.49Å; L1198-L1202 PolarHBondContact O-N 2.97Å; L1198-Y1250 HydrophobicContact CD2-CD2 4.37Å; L1198-Y1250 HydrophobicContact CD2-CE2 4.3Å
1199P96Very high95.5Very high43 Ų4366.3 Ų66.328%0.27931%0.305SS..Hα-helixtrans-66.8-36.517724.7-33.5000112.9W1195 R1201 L1202 E1203 Y1250W1195-P1199 WeakPolarHBondContact O-CD 3.14Å; P1199-R1201 VanDerWaalsContact C-N 3.32Å; P1199-R1201 PolarHBondContact O-N 3.41Å; P1199-L1202 PolarHBondContact O-N 2.8Å; P1199-L1202 VanDerWaalsContact O-N 3.13Å; P1199-E1203 PolarHBondContact O-N 2.95Å; P1199-Y1250 HydrophobicContact CB-CE2 4.31Å
1200K97Very high95.5Very high99 Ų9962.7 Ų62.743%0.4329%0.292SS..Hα-helixtrans-64.9-38.4178.9-45.2-165.9-156.179.80111.4D1196 E1197 L1202 K1204D1196-K1200 WeakPolarHBondContact O-CE 3.35Å; D1196-K1200 PolarHBondContact O-NZ 2.93Å; E1197-K1200 PolarHBondContact O-N 3.1Å; E1197-K1200 VanDerWaalsContact O-N 3.12Å; E1197-K1200 WeakPolarHBondContact OE2-CD 3.31Å; E1197-K1200 IonicContact OE2-NZ 3.27Å; E1197-K1200 PolarHBondContact OE2-NZ 2.75Å; K1200-L1202 VanDerWaalsContact C-N 3.32Å; K1200-L1202 PolarHBondContact O-N 3.31Å; K1200-K1204 WeakPolarHBondContact O-CB 3.36Å; K1200-K1204 PolarHBondContact O-N 3.38Å
1201R96.1Very high95.4Very high104 Ų10468.4 Ų68.439%0.39231%0.314SS..Hα-helixtrans-60.9-39.8172.5-71.1161.2165.9-104.50.5111.9E1099 I1100 E1197 L1198 P1199 L1205E1099-R1201 IonicContact OE2-CZ 2.72Å; E1099-R1201 IonicContact OE2-NH1 3.65Å; E1099-R1201 PolarHBondContact OE2-NH1 3.36Å; E1099-R1201 IonicContact OE2-NH2 3.43Å; I1100-R1201 HydrophobicContact CD1-CB 4.22Å; I1100-R1201 HydrophobicContact CG1-CB 4.23Å; E1197-R1201 HydrophobicContact CG-CG 4.2Å; E1197-R1201 WeakPolarHBondContact O-CG 3.36Å; E1197-R1201 PolarHBondContact O-N 3.42Å; L1198-R1201 PolarHBondContact O-N 3.49Å; P1199-R1201 VanDerWaalsContact C-N 3.32Å; P1199-R1201 PolarHBondContact O-N 3.41Å; R1201-L1205 WeakPolarHBondContact O-CB 3.48Å; R1201-L1205 PolarHBondContact O-N 3.33Å
1202L97.5Very high95.5Very high7 Ų765.2 Ų65.24%0.03730%0.299CS..Hα-helixtrans-72.9-41.7178.8-176.654.5000112.8I1100 L1198 P1199 K1200 L1205 E1206 V1243 L1246 Q1247 Y1250I1100-L1202 HydrophobicContact CD1-CB 4.12Å; I1100-L1202 HydrophobicContact CD1-CD1 4.22Å; I1100-L1202 HydrophobicContact CG2-CB 4.49Å; I1100-L1202 HydrophobicContact CG2-CD1 4.48Å; L1198-L1202 PolarHBondContact O-N 2.97Å; P1199-L1202 PolarHBondContact O-N 2.8Å; P1199-L1202 VanDerWaalsContact O-N 3.13Å; K1200-L1202 VanDerWaalsContact C-N 3.32Å; K1200-L1202 PolarHBondContact O-N 3.31Å; L1202-L1205 PolarHBondContact O-N 2.59Å; L1202-E1206 PolarHBondContact O-N 3.44Å; L1202-V1243 HydrophobicContact CD1-CG1 4.26Å; L1202-L1246 HydrophobicContact CD1-CB 3.74Å; L1202-L1246 HydrophobicContact CD1-CD1 4.38Å; L1202-Q1247 HydrophobicContact CD1-CG 4.13Å; L1202-Q1247 HydrophobicContact CD2-CG 4.03Å; L1202-Q1247 HydrophobicContact CG-CG 4.03Å; L1202-Y1250 HydrophobicContact CD2-CG 4.12Å
1203E97.3Very high95.5Very high130 Ų13055.7 Ų55.761%0.60726%0.263SS*.Hα-helixtrans-61-43171.9-178.4-176.9-168.500111.6P1199 L1205 E1206 T1207P1199-E1203 PolarHBondContact O-N 2.95Å; E1203-L1205 VanDerWaalsContact C-N 3.35Å; E1203-L1205 PolarHBondContact O-N 3.33Å; E1203-E1206 PolarHBondContact O-N 2.86Å; E1203-T1207 WeakPolarHBondContact O-CB 3.37Å; E1203-T1207 PolarHBondContact O-N 3.42Å; E1203-T1207 PolarHBondContact O-OG1 3.15Å
1204K96.3Very high95.4Very high132 Ų13258.7 Ų58.757%0.57428%0.275SS*.Hα-helixtrans-60.5-44.5172.4-176.5-175.6173.4-169.10111.2K1200 E1206 T1207 D1208K1200-K1204 WeakPolarHBondContact O-CB 3.36Å; K1200-K1204 PolarHBondContact O-N 3.38Å; K1204-E1206 PolarHBondContact O-N 3.34Å; K1204-T1207 PolarHBondContact O-N 2.88Å; K1204-T1207 VanDerWaalsContact O-N 3.16Å; K1204-D1208 WeakPolarHBondContact CE-OD2 3.34Å; K1204-D1208 WeakPolarHBondContact CG-OD2 3.36Å; K1204-D1208 WeakPolarHBondContact O-CB 3.39Å; K1204-D1208 PolarHBondContact O-N 2.87Å
1205L96.8Very high95.3Very high5 Ų555.5 Ų55.53%0.02626%0.257CS..Hα-helixtrans-67-34.3-179.4-169.661.6000112.4F1089 Y1093 N1096 I1100 R1201 L1202 E1203 S1209 V1243 L1246F1089-L1205 HydrophobicContact CE2-CD1 4.26Å; Y1093-L1205 HydrophobicContact CD2-CD1 4Å; Y1093-L1205 HydrophobicContact CE2-CD1 4.17Å; Y1093-L1205 HydrophobicContact CE2-CD2 4.49Å; Y1093-L1205 HydrophobicContact CE2-CG 4.46Å; N1096-L1205 HydrophobicContact CB-CD1 3.87Å; N1096-L1205 HydrophobicContact CB-CD2 4.32Å; I1100-L1205 HydrophobicContact CD1-CB 4.4Å; I1100-L1205 HydrophobicContact CD1-CD2 3.86Å; R1201-L1205 WeakPolarHBondContact O-CB 3.48Å; R1201-L1205 PolarHBondContact O-N 3.33Å; L1202-L1205 PolarHBondContact O-N 2.59Å; E1203-L1205 VanDerWaalsContact C-N 3.35Å; E1203-L1205 PolarHBondContact O-N 3.33Å; L1205-S1209 VanDerWaalsContact O-CB 3.24Å; L1205-S1209 WeakPolarHBondContact O-CB 3.47Å; L1205-S1209 PolarHBondContact O-N 2.84Å; L1205-S1209 PolarHBondContact O-OG 3.35Å; L1205-V1243 HydrophobicContact CD2-CG2 3.89Å; L1205-V1243 HydrophobicContact CG-CG2 3.74Å; L1205-L1246 HydrophobicContact CD2-CD1 4.38Å
1206E96.2Very high95.2Very high39 Ų3955.4 Ų55.418%0.18226%0.257CS..Hα-helixtrans-60-53.2165.7166.8171.7-166.900110.9W780 L1202 E1203 K1204 D1208 S1209 K1210 V1243 Q1247W780-E1206 HydrophobicContact CH2-CB 4.05Å; W780-E1206 HydrophobicContact CH2-CG 3.63Å; W780-E1206 HydrophobicContact CZ2-CB 4.36Å; W780-E1206 HydrophobicContact CZ2-CG 3.7Å; W780-E1206 WeakPolarHBondContact CZ2-OE1 3.09Å; W780-E1206 HydrophobicContact CZ3-CG 4.35Å; L1202-E1206 PolarHBondContact O-N 3.44Å; E1203-E1206 PolarHBondContact O-N 2.86Å; K1204-E1206 PolarHBondContact O-N 3.34Å; E1206-D1208 VanDerWaalsContact C-N 3.35Å; E1206-D1208 PolarHBondContact O-N 2.99Å; E1206-S1209 WeakPolarHBondContact O-CB 3.4Å; E1206-S1209 PolarHBondContact O-N 3.5Å; E1206-S1209 VanDerWaalsContact O-N 3.11Å; E1206-K1210 HydrophobicContact CG-CD 4.12Å; E1206-K1210 HydrophobicContact CG-CG 4.45Å; E1206-K1210 PolarHBondContact O-N 2.77Å; E1206-K1210 WeakPolarHBondContact OE1-CE 3.45Å; E1206-K1210 IonicContact OE1-NZ 3.71Å; E1206-K1210 PolarHBondContact OE1-NZ 3.27Å; E1206-V1243 HydrophobicContact CB-CG1 4.11Å; E1206-Q1247 PolarHBondContact OE2-NE2 2.97Å
1207T96.7Very high94.9Very high52 Ų5252.9 Ų52.932%0.31924%0.239SC..Hα-helixtrans-58.9-46.3-174.6-56.80000111.6E1203 K1204 K1210 R1211E1203-T1207 WeakPolarHBondContact O-CB 3.37Å; E1203-T1207 PolarHBondContact O-N 3.42Å; E1203-T1207 PolarHBondContact O-OG1 3.15Å; K1204-T1207 PolarHBondContact O-N 2.88Å; K1204-T1207 VanDerWaalsContact O-N 3.16Å; T1207-K1210 PolarHBondContact O-N 3.21Å; T1207-R1211 WeakPolarHBondContact O-CG 3.13Å; T1207-R1211 PolarHBondContact O-N 2.64Å
1208D95.4Very high94.7Very high42 Ų4253.9 Ų53.923%0.22525%0.245CC..Hα-helixtrans-72.7-28.7179.2-68-22.4000111.8F1089 K1204 E1206 R1211 A1212F1089-D1208 HydrophobicContact CD2-CB 4Å; F1089-D1208 HydrophobicContact CE2-CB 4.3Å; K1204-D1208 WeakPolarHBondContact CE-OD2 3.34Å; K1204-D1208 WeakPolarHBondContact CG-OD2 3.36Å; K1204-D1208 WeakPolarHBondContact O-CB 3.39Å; K1204-D1208 PolarHBondContact O-N 2.87Å; E1206-D1208 VanDerWaalsContact C-N 3.35Å; E1206-D1208 PolarHBondContact O-N 2.99Å; D1208-R1211 IonicContact OD1-CZ 3.54Å; D1208-R1211 IonicContact OD1-NH1 3.16Å; D1208-R1211 PolarHBondContact OD1-NH1 3.44Å; D1208-A1212 VanDerWaalsContact O-CB 3.28Å; D1208-A1212 WeakPolarHBondContact O-CB 3.28Å; D1208-A1212 PolarHBondContact O-N 3.21Å
1209S95.8Very high94.2Very high0 Ų054.2 Ų54.20%025%0.247CC..Hα-helixtrans-67.3-42.3170.4-60.50000112.5F1089 L1205 E1206 A1212 W1213F1089-S1209 WeakPolarHBondContact CE2-OG 3.48Å; F1089-S1209 VanDerWaalsContact CZ-OG 3.28Å; F1089-S1209 WeakPolarHBondContact CZ-OG 3.47Å; L1205-S1209 VanDerWaalsContact O-CB 3.24Å; L1205-S1209 WeakPolarHBondContact O-CB 3.47Å; L1205-S1209 PolarHBondContact O-N 2.84Å; L1205-S1209 PolarHBondContact O-OG 3.35Å; E1206-S1209 WeakPolarHBondContact O-CB 3.4Å; E1206-S1209 PolarHBondContact O-N 3.5Å; E1206-S1209 VanDerWaalsContact O-N 3.11Å; S1209-A1212 PolarHBondContact O-N 2.93Å; S1209-W1213 PolarHBondContact O-N 2.67Å; S1209-W1213 VanDerWaalsContact O-N 3.15Å
1210K95.4Very high93.6Very high37 Ų3752.7 Ų52.716%0.16124%0.236CC..Hα-helixtrans-63.3-47.2175.2-73.2-176.4175.7-178.40110.7V776 E777 W780 E1206 T1207 A1212 W1213 E1214V776-K1210 HydrophobicContact CG1-CB 4.27Å; V776-K1210 HydrophobicContact CG1-CG 4.39Å; E777-K1210 IonicContact OE2-NZ 2.76Å; E777-K1210 PolarHBondContact OE2-NZ 2.75Å; W780-K1210 HydrophobicContact CD2-CD 4.48Å; W780-K1210 HydrophobicContact CD2-CG 4.47Å; W780-K1210 HydrophobicContact CE3-CD 4.38Å; W780-K1210 HydrophobicContact CE3-CG 3.9Å; W780-K1210 VanDerWaalsContact CG-CE 3.49Å; W780-K1210 HydrophobicContact CZ3-CG 4.11Å; E1206-K1210 HydrophobicContact CG-CD 4.12Å; E1206-K1210 HydrophobicContact CG-CG 4.45Å; E1206-K1210 PolarHBondContact O-N 2.77Å; E1206-K1210 WeakPolarHBondContact OE1-CE 3.45Å; E1206-K1210 IonicContact OE1-NZ 3.71Å; E1206-K1210 PolarHBondContact OE1-NZ 3.27Å; T1207-K1210 PolarHBondContact O-N 3.21Å; K1210-A1212 PolarHBondContact O-N 3.23Å; K1210-W1213 WeakPolarHBondContact O-CB 3.45Å; K1210-W1213 PolarHBondContact O-N 2.97Å; K1210-W1213 VanDerWaalsContact O-N 3.17Å; K1210-E1214 WeakPolarHBondContact O-CG 3.3Å; K1210-E1214 PolarHBondContact O-N 3.27Å
1211R95.1Very high92.7Very high121 Ų12153 Ų5346%0.45725%0.251SS..Hα-helixtrans-57.8-42.4172.5-73.3177.6-175.7138.70.7113T1207 D1208 W1213 E1214 H1215T1207-R1211 WeakPolarHBondContact O-CG 3.13Å; T1207-R1211 PolarHBondContact O-N 2.64Å; D1208-R1211 IonicContact OD1-CZ 3.54Å; D1208-R1211 IonicContact OD1-NH1 3.16Å; D1208-R1211 PolarHBondContact OD1-NH1 3.44Å; R1211-W1213 VanDerWaalsContact C-N 3.26Å; R1211-W1213 PolarHBondContact O-N 2.8Å; R1211-E1214 WeakPolarHBondContact O-CB 3.43Å; R1211-E1214 PolarHBondContact O-N 2.9Å; R1211-E1214 VanDerWaalsContact O-N 3.16Å; R1211-H1215 WeakPolarHBondContact O-CB 3.26Å; R1211-H1215 PolarHBondContact O-CD2 3.01Å; R1211-H1215 VanDerWaalsContact O-CD2 3.25Å; R1211-H1215 PolarHBondContact O-N 2.97Å
1212A94.9Very high91.3Very high1 Ų150.9 Ų50.91%0.00825%0.252CS..Hα-helixtrans-60.9-36.8178.200000111.9L1086 F1089 D1208 S1209 K1210 Y1216 L1236L1086-A1212 HydrophobicContact CD1-CB 3.9Å; F1089-A1212 HydrophobicContact CB-CB 4.33Å; F1089-A1212 HydrophobicContact CD1-CB 3.45Å; F1089-A1212 VanDerWaalsContact CD1-CB 3.45Å; F1089-A1212 HydrophobicContact CD2-CB 4.3Å; F1089-A1212 HydrophobicContact CE1-CB 3.75Å; F1089-A1212 HydrophobicContact CG-CB 3.76Å; F1089-A1212 HydrophobicContact CZ-CB 4.28Å; D1208-A1212 VanDerWaalsContact O-CB 3.28Å; D1208-A1212 WeakPolarHBondContact O-CB 3.28Å; D1208-A1212 PolarHBondContact O-N 3.21Å; S1209-A1212 PolarHBondContact O-N 2.93Å; K1210-A1212 PolarHBondContact O-N 3.23Å; A1212-Y1216 VanDerWaalsContact O-CB 3.32Å; A1212-Y1216 WeakPolarHBondContact O-CB 3.49Å; A1212-Y1216 PolarHBondContact O-N 3.39Å; A1212-L1236 HydrophobicContact CB-CD2 3.73Å
1213W92.8Very high89.3Confident14 Ų1458.6 Ų58.65%0.05329%0.288CS..Hα-helixtrans-69.6-39.9173.2-166.7-112.8000112.9V776 F779 S1209 K1210 R1211 Y1216 R1217 L1236 M1240V776-W1213 HydrophobicContact CG1-CB 4.46Å; F779-W1213 AromaticContact CD1-CD1 3.97Å; F779-W1213 AromaticContact CD1-CD2 3.99Å; F779-W1213 HydrophobicContact CD1-CD2 3.99Å; F779-W1213 AromaticContact CD1-CE2 3.38Å; F779-W1213 HydrophobicContact CD1-CG 4.34Å; F779-W1213 HydrophobicContact CD1-CH2 4.39Å; F779-W1213 AromaticContact CD1-CZ2 3.64Å; F779-W1213 HydrophobicContact CD1-CZ2 3.64Å; F779-W1213 AromaticContact CD1-NE1 3.33Å; F779-W1213 VanDerWaalsContact CD1-NE1 3.33Å; F779-W1213 AromaticContact CD2-CZ2 3.65Å; F779-W1213 HydrophobicContact CD2-CZ2 3.65Å; F779-W1213 AromaticContact CE1-CD2 3.93Å; F779-W1213 HydrophobicContact CE1-CD2 3.93Å; F779-W1213 AromaticContact CE1-CE2 3.49Å; F779-W1213 VanDerWaalsContact CE1-CE2 3.49Å; F779-W1213 HydrophobicContact CE1-CE3 4.19Å; F779-W1213 AromaticContact CE1-CH2 3.7Å; F779-W1213 HydrophobicContact CE1-CH2 3.7Å; F779-W1213 AromaticContact CE1-CZ2 3.4Å; F779-W1213 HydrophobicContact CE1-CZ2 3.4Å; F779-W1213 VanDerWaalsContact CE1-CZ2 3.4Å; F779-W1213 HydrophobicContact CE1-CZ3 4.07Å; F779-W1213 AromaticContact CE1-NE1 3.96Å; F779-W1213 AromaticContact CE2-CH2 3.85Å; F779-W1213 HydrophobicContact CE2-CH2 3.85Å; F779-W1213 AromaticContact CE2-CZ2 3.41Å; F779-W1213 HydrophobicContact CE2-CZ2 3.41Å; F779-W1213 VanDerWaalsContact CE2-CZ2 3.41Å; F779-W1213 AromaticContact CG-CE2 3.69Å; F779-W1213 AromaticContact CG-CZ2 3.76Å; F779-W1213 HydrophobicContact CG-CZ2 3.76Å; F779-W1213 AromaticContact CG-NE1 3.43Å; F779-W1213 AromaticContact CZ-CE2 3.9Å; F779-W1213 AromaticContact CZ-CH2 3.38Å; F779-W1213 HydrophobicContact CZ-CH2 3.38Å; F779-W1213 AromaticContact CZ-CZ2 3.28Å; F779-W1213 HydrophobicContact CZ-CZ2 3.28Å; F779-W1213 HydrophobicContact CZ-CZ3 4.1Å; S1209-W1213 PolarHBondContact O-N 2.67Å; S1209-W1213 VanDerWaalsContact O-N 3.15Å; K1210-W1213 WeakPolarHBondContact O-CB 3.45Å; K1210-W1213 PolarHBondContact O-N 2.97Å; K1210-W1213 VanDerWaalsContact O-N 3.17Å; R1211-W1213 VanDerWaalsContact C-N 3.26Å; R1211-W1213 PolarHBondContact O-N 2.8Å; W1213-Y1216 PolarHBondContact O-N 3Å; W1213-R1217 WeakPolarHBondContact O-CG 3.22Å; W1213-R1217 PolarHBondContact O-N 2.75Å; W1213-L1236 HydrophobicContact CE3-CB 3.62Å; W1213-L1236 HydrophobicContact CE3-CD1 3.99Å; W1213-L1236 HydrophobicContact CE3-CG 4.48Å; W1213-L1236 HydrophobicContact CZ3-CB 3.86Å; W1213-M1240 HydrophobicContact CB-CE 3.95Å; W1213-M1240 HydrophobicContact CB-SD 3.8Å; W1213-M1240 HydrophobicContact CD2-SD 4Å; W1213-M1240 HydrophobicContact CE3-SD 4.11Å; W1213-M1240 HydrophobicContact CG-CE 4.01Å; W1213-M1240 HydrophobicContact CG-SD 3.89Å
1214E92.8Very high87.3Confident98 Ų9860.7 Ų60.746%0.45830%0.295SS..Hα-helixtrans-60.4-48172-67.5174.3169.900111.8V776 K1210 R1211 R1217 L1218V776-E1214 HydrophobicContact CB-CG 4.33Å; V776-E1214 HydrophobicContact CG1-CG 4.44Å; V776-E1214 HydrophobicContact CG2-CG 3.55Å; K1210-E1214 WeakPolarHBondContact O-CG 3.3Å; K1210-E1214 PolarHBondContact O-N 3.27Å; R1211-E1214 WeakPolarHBondContact O-CB 3.43Å; R1211-E1214 PolarHBondContact O-N 2.9Å; R1211-E1214 VanDerWaalsContact O-N 3.16Å; E1214-R1217 PolarHBondContact O-N 3.4Å; E1214-L1218 WeakPolarHBondContact O-CB 3.49Å; E1214-L1218 PolarHBondContact O-N 3.22Å
1215H92.3Very high85.3Confident30 Ų3057.7 Ų57.714%0.13928%0.283CS..Hα-helixtrans-61.8-46.6176.5-64.4-26.4000111.5P1082 E1085 L1086 R1211 R1217 L1218 I1219P1082-H1215 HydrophobicContact CB-CB 3.94Å; E1085-H1215 IonicContact OE2-CE1 2.7Å; E1085-H1215 IonicContact OE2-NE2 2.65Å; L1086-H1215 HydrophobicContact CB-CB 4.12Å; R1211-H1215 WeakPolarHBondContact O-CB 3.26Å; R1211-H1215 PolarHBondContact O-CD2 3.01Å; R1211-H1215 VanDerWaalsContact O-CD2 3.25Å; R1211-H1215 PolarHBondContact O-N 2.97Å; H1215-R1217 VanDerWaalsContact C-N 3.29Å; H1215-R1217 PolarHBondContact O-N 3.23Å; H1215-L1218 PolarHBondContact O-N 2.99Å; H1215-I1219 HydrophobicContact CB-CD1 4.35Å; H1215-I1219 WeakPolarHBondContact O-CB 3.15Å; H1215-I1219 WeakPolarHBondContact O-CD1 3.36Å; H1215-I1219 WeakPolarHBondContact O-CG1 3.39Å; H1215-I1219 PolarHBondContact O-N 2.96Å
1216Y91.1Very high83.3Confident23 Ų2359.2 Ų59.29%0.0929%0.294CS..Hα-helixtrans-54.4-47.3175.7172.3-91.7000111.2A1212 W1213 I1219 F1220 N1229 L1232 L1236A1212-Y1216 VanDerWaalsContact O-CB 3.32Å; A1212-Y1216 WeakPolarHBondContact O-CB 3.49Å; A1212-Y1216 PolarHBondContact O-N 3.39Å; W1213-Y1216 PolarHBondContact O-N 3Å; Y1216-I1219 PolarHBondContact O-N 2.99Å; Y1216-F1220 AromaticContact CD2-CD2 3.43Å; Y1216-F1220 HydrophobicContact CD2-CD2 3.43Å; Y1216-F1220 VanDerWaalsContact CD2-CD2 3.43Å; Y1216-F1220 AromaticContact CD2-CE2 3.87Å; Y1216-F1220 HydrophobicContact CD2-CE2 3.87Å; Y1216-F1220 HydrophobicContact CD2-CG 4.49Å; Y1216-F1220 HydrophobicContact CE2-CB 4.42Å; Y1216-F1220 AromaticContact CE2-CD2 3.47Å; Y1216-F1220 HydrophobicContact CE2-CD2 3.47Å; Y1216-F1220 VanDerWaalsContact CE2-CD2 3.47Å; Y1216-F1220 HydrophobicContact CE2-CE2 4.06Å; Y1216-F1220 HydrophobicContact CE2-CG 4.18Å; Y1216-F1220 HydrophobicContact CG-CD2 4.11Å; Y1216-F1220 WeakPolarHBondContact O-CB 3.49Å; Y1216-F1220 VanDerWaalsContact O-CD2 3.24Å; Y1216-F1220 WeakPolarHBondContact O-CD2 3.48Å; Y1216-F1220 PolarHBondContact O-N 2.67Å; Y1216-N1229 HydrophobicContact CE2-CB 4.42Å; Y1216-L1232 HydrophobicContact CD2-CB 4.42Å; Y1216-L1232 HydrophobicContact CD2-CD2 4.03Å; Y1216-L1232 HydrophobicContact CD2-CG 4.02Å; Y1216-L1232 HydrophobicContact CE2-CB 4.23Å; Y1216-L1232 HydrophobicContact CE2-CD2 4.42Å; Y1216-L1232 HydrophobicContact CE2-CG 4.33Å; Y1216-L1236 VanDerWaalsContact CB-CD1 3.45Å; Y1216-L1236 HydrophobicContact CD2-CD1 3.99Å; Y1216-L1236 HydrophobicContact CG-CD1 3.74Å
1217R88Confident81.3Confident61 Ų6163 Ų6323%0.2332%0.315CS..Hα-helixtrans-60.9-52.2176.7-74169.5166.4-119.8-17111.4E773 T774 W1213 E1214 H1215 I1219 F1220 S1221E773-R1217 PolarHBondContact O-NH1 3.3Å; E773-R1217 PolarHBondContact O-NH2 3.16Å; T774-R1217 PolarHBondContact O-NH1 3.29Å; W1213-R1217 WeakPolarHBondContact O-CG 3.22Å; W1213-R1217 PolarHBondContact O-N 2.75Å; E1214-R1217 PolarHBondContact O-N 3.4Å; H1215-R1217 VanDerWaalsContact C-N 3.29Å; H1215-R1217 PolarHBondContact O-N 3.23Å; R1217-I1219 VanDerWaalsContact C-N 3.25Å; R1217-I1219 PolarHBondContact O-N 3.33Å; R1217-F1220 PolarHBondContact O-N 3.1Å; R1217-F1220 VanDerWaalsContact O-N 3.17Å; R1217-S1221 PolarHBondContact O-N 2.77Å; R1217-S1221 PolarHBondContact O-OG 2.85Å
1218L88.7Confident79.5Confident89 Ų8967.4 Ų67.447%0.46633%0.33SS..Hα-helixtrans-55.6-38.7179.4-17662.6000112.9P1082 E1214 H1215P1082-L1218 HydrophobicContact CB-CD2 4.45Å; P1082-L1218 HydrophobicContact CG-CD2 3.88Å; E1214-L1218 WeakPolarHBondContact O-CB 3.49Å; E1214-L1218 PolarHBondContact O-N 3.22Å; H1215-L1218 PolarHBondContact O-N 2.99Å
1219I86.3Confident78.5Confident11 Ų1167.6 Ų67.66%0.05633%0.331CS..Hα-helixtrans-77.8-34.5-179.6-59.5155.1000112.3H1079 P1082 R1083 L1086 H1215 Y1216 R1217H1079-I1219 HydrophobicContact CB-CG1 3.91Å; P1082-I1219 HydrophobicContact CB-CD1 4.02Å; P1082-I1219 HydrophobicContact CB-CG1 4.08Å; R1083-I1219 HydrophobicContact CB-CD1 4.34Å; R1083-I1219 HydrophobicContact CG-CD1 3.74Å; R1083-I1219 HydrophobicContact CG-CG1 3.98Å; R1083-I1219 HydrophobicContact CG-CG2 4.01Å; L1086-I1219 HydrophobicContact CD2-CD1 3.76Å; H1215-I1219 HydrophobicContact CB-CD1 4.35Å; H1215-I1219 WeakPolarHBondContact O-CB 3.15Å; H1215-I1219 WeakPolarHBondContact O-CD1 3.36Å; H1215-I1219 WeakPolarHBondContact O-CG1 3.39Å; H1215-I1219 PolarHBondContact O-N 2.96Å; Y1216-I1219 PolarHBondContact O-N 2.99Å; R1217-I1219 VanDerWaalsContact C-N 3.25Å; R1217-I1219 PolarHBondContact O-N 3.33Å
1220F84Confident77.8Confident11 Ų1171.5 Ų71.55%0.04835%0.351CS..Hα-helixtrans-118.218.4-167.9-57.6-67.8000115.1Y1216 R1217 S1222 E1225 N1229 L1232Y1216-F1220 AromaticContact CD2-CD2 3.43Å; Y1216-F1220 HydrophobicContact CD2-CD2 3.43Å; Y1216-F1220 VanDerWaalsContact CD2-CD2 3.43Å; Y1216-F1220 AromaticContact CD2-CE2 3.87Å; Y1216-F1220 HydrophobicContact CD2-CE2 3.87Å; Y1216-F1220 HydrophobicContact CD2-CG 4.49Å; Y1216-F1220 HydrophobicContact CE2-CB 4.42Å; Y1216-F1220 AromaticContact CE2-CD2 3.47Å; Y1216-F1220 HydrophobicContact CE2-CD2 3.47Å; Y1216-F1220 VanDerWaalsContact CE2-CD2 3.47Å; Y1216-F1220 HydrophobicContact CE2-CE2 4.06Å; Y1216-F1220 HydrophobicContact CE2-CG 4.18Å; Y1216-F1220 HydrophobicContact CG-CD2 4.11Å; Y1216-F1220 WeakPolarHBondContact O-CB 3.49Å; Y1216-F1220 VanDerWaalsContact O-CD2 3.24Å; Y1216-F1220 WeakPolarHBondContact O-CD2 3.48Å; Y1216-F1220 PolarHBondContact O-N 2.67Å; R1217-F1220 PolarHBondContact O-N 3.1Å; R1217-F1220 VanDerWaalsContact O-N 3.17Å; F1220-S1222 PolarHBondContact O-N 2.73Å; F1220-E1225 HydrophobicContact CD1-CB 4.05Å; F1220-E1225 HydrophobicContact CD1-CG 3.96Å; F1220-E1225 HydrophobicContact CE1-CG 4.36Å; F1220-N1229 HydrophobicContact CE1-CB 4.29Å; F1220-N1229 WeakPolarHBondContact CE1-ND2 3.11Å; F1220-N1229 HydrophobicContact CE2-CB 4.45Å; F1220-N1229 HydrophobicContact CZ-CB 4.24Å; F1220-N1229 WeakPolarHBondContact CZ-ND2 3.49Å; F1220-L1232 HydrophobicContact CE2-CD2 4Å
1221S76.7Confident77.4Confident106 Ų10678.1 Ų78.174%0.74138%0.38SS*.  trans-56.9-9.4173.3-74.60000115.8R1217R1217-S1221 PolarHBondContact O-N 2.77Å; R1217-S1221 PolarHBondContact O-OG 2.85Å
1222S68Low77.1Confident59 Ų5972.5 Ų72.541%0.41336%0.359SS..SBendtrans-89.8125.1174.3163.10000110.8F1220 K1224 E1225 S1226F1220-S1222 PolarHBondContact O-N 2.73Å; S1222-K1224 PolarHBondContact O-N 3.23Å; S1222-K1224 PolarHBondContact OG-N 3.41Å; S1222-E1225 WeakPolarHBondContact O-CA 3.34Å; S1222-E1225 WeakPolarHBondContact O-CB 3.48Å; S1222-E1225 PolarHBondContact O-N 3.07Å; S1222-S1226 PolarHBondContact O-N 3.3Å
1223E54.9Low76.9Confident169 Ų16973.7 Ų73.779%0.7937%0.367SS*.Hα-helixtrans-54.3-28177.4-65.8-174.6126.300114E1225 S1226 N1227E1223-E1225 VanDerWaalsContact C-N 3.31Å; E1223-S1226 PolarHBondContact O-OG 3.09Å; E1223-N1227 PolarHBondContact O-ND2 3.29Å
1224K55.2Low76.8Confident175 Ų17578.3 Ų78.376%0.76139%0.389SS*.Hα-helixtrans-81.1-12.9179-66.5-179.2-179.9175.30113.1S1222 K1228S1222-K1224 PolarHBondContact O-N 3.23Å; S1222-K1224 PolarHBondContact OG-N 3.41Å; K1224-K1228 VanDerWaalsContact O-CE 3.25Å; K1224-K1228 WeakPolarHBondContact O-CE 3.42Å; K1224-K1228 PolarHBondContact O-NZ 3.49Å
1225E53.7Low76.9Confident69 Ų6975.5 Ų75.532%0.32238%0.376SS..Hα-helixtrans-101-40.4177.6-126.865.2-110.100111.7F1220 S1222 E1223 N1227 K1228F1220-E1225 HydrophobicContact CD1-CB 4.05Å; F1220-E1225 HydrophobicContact CD1-CG 3.96Å; F1220-E1225 HydrophobicContact CE1-CG 4.36Å; S1222-E1225 WeakPolarHBondContact O-CA 3.34Å; S1222-E1225 WeakPolarHBondContact O-CB 3.48Å; S1222-E1225 PolarHBondContact O-N 3.07Å; E1223-E1225 VanDerWaalsContact C-N 3.31Å; E1225-N1227 PolarHBondContact O-N 3.28Å; E1225-K1228 WeakPolarHBondContact O-CB 3.49Å; E1225-K1228 PolarHBondContact O-N 3.32Å; E1225-K1228 VanDerWaalsContact O-N 3.1Å; E1225-K1228 IonicContact OE1-NZ 2.71Å; E1225-K1228 PolarHBondContact OE1-NZ 2.97Å
1226S55.3Low77Confident36 Ų3674.1 Ų74.125%0.25237%0.369SS..Hα-helixtrans-55.5-47.1-176.662.60000113.2S1222 E1223 K1228 N1229S1222-S1226 PolarHBondContact O-N 3.3Å; E1223-S1226 PolarHBondContact O-OG 3.09Å; S1226-K1228 PolarHBondContact O-N 3.48Å; S1226-N1229 PolarHBondContact O-N 3.37Å
1227N54.6Low77.1Confident118 Ų11874.3 Ų74.363%0.63137%0.373SS*.THydrogen-bonded Turntrans-58.9-18.2179.8-77.7-49000114.5E1223 E1225E1223-N1227 PolarHBondContact O-ND2 3.29Å; E1225-N1227 PolarHBondContact O-N 3.28Å
1228K58.3Low77.3Confident145 Ų14574.7 Ų74.763%0.6338%0.38SS*.THydrogen-bonded Turntrans-85.6-17.1177.6-59.3173.7-166.31570113.2K1224 E1225 S1226K1224-K1228 VanDerWaalsContact O-CE 3.25Å; K1224-K1228 WeakPolarHBondContact O-CE 3.42Å; K1224-K1228 PolarHBondContact O-NZ 3.49Å; E1225-K1228 WeakPolarHBondContact O-CB 3.49Å; E1225-K1228 PolarHBondContact O-N 3.32Å; E1225-K1228 VanDerWaalsContact O-N 3.1Å; E1225-K1228 IonicContact OE1-NZ 2.71Å; E1225-K1228 PolarHBondContact OE1-NZ 2.97Å; S1226-K1228 PolarHBondContact O-N 3.48Å
1229N75Confident77.7Confident46 Ų4670.5 Ų70.525%0.24636%0.358CS..  trans-126.128.6-173-89.3-52.1000113.9Y1216 F1220 S1226 K1231 L1232 S1233Y1216-N1229 HydrophobicContact CE2-CB 4.42Å; F1220-N1229 HydrophobicContact CE1-CB 4.29Å; F1220-N1229 WeakPolarHBondContact CE1-ND2 3.11Å; F1220-N1229 HydrophobicContact CE2-CB 4.45Å; F1220-N1229 HydrophobicContact CZ-CB 4.24Å; F1220-N1229 WeakPolarHBondContact CZ-ND2 3.49Å; S1226-N1229 PolarHBondContact O-N 3.37Å; N1229-K1231 PolarHBondContact O-N 3.03Å; N1229-L1232 HydrophobicContact CB-CB 4.19Å; N1229-L1232 WeakPolarHBondContact O-CA 3.4Å; N1229-L1232 VanDerWaalsContact O-CB 3.32Å; N1229-L1232 WeakPolarHBondContact O-CB 3.12Å; N1229-L1232 PolarHBondContact O-N 3.48Å; N1229-S1233 PolarHBondContact O-N 3.44Å
1230I81.9Confident78.1Confident82 Ų8270 Ų7042%0.42136%0.355SS..Hα-helixtrans-49.9-45.2173.6-61.7170.7000111.1L1232 S1233 E1234I1230-L1232 PolarHBondContact O-N 3.36Å; I1230-L1232 VanDerWaalsContact O-N 3.12Å; I1230-S1233 PolarHBondContact O-N 3.11Å; I1230-S1233 PolarHBondContact O-OG 3.24Å; I1230-E1234 HydrophobicContact CG2-CG 4.28Å; I1230-E1234 WeakPolarHBondContact O-CG 3.47Å; I1230-E1234 PolarHBondContact O-N 3.01Å
1231K86.3Confident78.6Confident176 Ų17670.3 Ų70.377%0.76536%0.357SS*.Hα-helixtrans-57.9-25.3175.6-66.3-172.1176.6-173.50114.8N1229 E1234 F1235N1229-K1231 PolarHBondContact O-N 3.03Å; K1231-E1234 WeakPolarHBondContact CA-OE2 3.17Å; K1231-F1235 WeakPolarHBondContact O-CB 3.24Å; K1231-F1235 PolarHBondContact O-N 3.15Å; K1231-F1235 VanDerWaalsContact O-N 3.16Å
1232L89.5Confident79.5Confident3 Ų366.5 Ų66.52%0.01633%0.326CS..Hα-helixtrans-82.4-39.4175.9-171.358.6000111M1025 L1086 K1090 Y1216 F1220 N1229 I1230 E1234 F1235 L1236M1025-L1232 HydrophobicContact CE-CD2 4.13Å; M1025-L1232 HydrophobicContact SD-CD2 3.8Å; L1086-L1232 HydrophobicContact CD2-CD2 3.97Å; L1086-L1232 HydrophobicContact CG-CD2 4.47Å; K1090-L1232 HydrophobicContact CD-CD1 3.85Å; Y1216-L1232 HydrophobicContact CD2-CB 4.42Å; Y1216-L1232 HydrophobicContact CD2-CD2 4.03Å; Y1216-L1232 HydrophobicContact CD2-CG 4.02Å; Y1216-L1232 HydrophobicContact CE2-CB 4.23Å; Y1216-L1232 HydrophobicContact CE2-CD2 4.42Å; Y1216-L1232 HydrophobicContact CE2-CG 4.33Å; F1220-L1232 HydrophobicContact CE2-CD2 4Å; N1229-L1232 HydrophobicContact CB-CB 4.19Å; N1229-L1232 WeakPolarHBondContact O-CA 3.4Å; N1229-L1232 VanDerWaalsContact O-CB 3.32Å; N1229-L1232 WeakPolarHBondContact O-CB 3.12Å; N1229-L1232 PolarHBondContact O-N 3.48Å; I1230-L1232 PolarHBondContact O-N 3.36Å; I1230-L1232 VanDerWaalsContact O-N 3.12Å; L1232-E1234 VanDerWaalsContact C-N 3.34Å; L1232-F1235 HydrophobicContact CD1-CD1 4.17Å; L1232-F1235 PolarHBondContact O-N 3.33Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.37Å; L1232-L1236 PolarHBondContact O-N 3.47Å
1233S89.5Confident80.8Confident26 Ų2663.7 Ų63.718%0.18231%0.306CS..Hα-helixtrans-65.1-36.317051.30000113N1229 I1230 L1236 T1237N1229-S1233 PolarHBondContact O-N 3.44Å; I1230-S1233 PolarHBondContact O-N 3.11Å; I1230-S1233 PolarHBondContact O-OG 3.24Å; S1233-L1236 PolarHBondContact O-N 3.19Å; S1233-T1237 VanDerWaalsContact O-CB 3.32Å; S1233-T1237 WeakPolarHBondContact O-CB 3.46Å; S1233-T1237 PolarHBondContact O-N 3.23Å; S1233-T1237 PolarHBondContact O-OG1 3.02Å
1234E91.5Very high82.7Confident111 Ų11155.7 Ų55.752%0.51927%0.269SS..Hα-helixtrans-60.7-52.2172.6-72.1170.7160.300110.4I1230 K1231 L1232 L1236 T1237 D1238I1230-E1234 HydrophobicContact CG2-CG 4.28Å; I1230-E1234 WeakPolarHBondContact O-CG 3.47Å; I1230-E1234 PolarHBondContact O-N 3.01Å; K1231-E1234 WeakPolarHBondContact CA-OE2 3.17Å; L1232-E1234 VanDerWaalsContact C-N 3.34Å; E1234-L1236 PolarHBondContact O-N 3.31Å; E1234-T1237 PolarHBondContact O-N 2.97Å; E1234-D1238 WeakPolarHBondContact O-CB 3.24Å; E1234-D1238 PolarHBondContact O-N 2.74Å
1235F94.3Very high84.6Confident39 Ų3947.8 Ų47.817%0.17124%0.236CC..Hα-helixtrans-55.2-46.9175.2166.5-97000112.8F1089 K1090 Y1093 K1231 L1232 D1238 A1239F1089-F1235 HydrophobicContact CD1-CE1 4.21Å; F1089-F1235 AromaticContact CE1-CE1 3.98Å; F1089-F1235 HydrophobicContact CE1-CE1 3.98Å; F1089-F1235 HydrophobicContact CE1-CZ 4.37Å; K1090-F1235 HydrophobicContact CB-CE1 3.92Å; K1090-F1235 HydrophobicContact CB-CZ 4.27Å; K1090-F1235 HydrophobicContact CG-CD1 4.1Å; K1090-F1235 HydrophobicContact CG-CE1 3.73Å; K1090-F1235 HydrophobicContact CG-CZ 3.96Å; Y1093-F1235 HydrophobicContact CG-CZ 4.18Å; K1231-F1235 WeakPolarHBondContact O-CB 3.24Å; K1231-F1235 PolarHBondContact O-N 3.15Å; K1231-F1235 VanDerWaalsContact O-N 3.16Å; L1232-F1235 HydrophobicContact CD1-CD1 4.17Å; L1232-F1235 PolarHBondContact O-N 3.33Å; F1235-D1238 PolarHBondContact O-N 3.15Å; F1235-A1239 WeakPolarHBondContact O-CB 3.48Å; F1235-A1239 PolarHBondContact O-N 3.38Å
1236L94.1Very high86.7Confident1 Ų144.5 Ų44.51%0.00522%0.22CC..Hα-helixtrans-69.5-37-179.3-66.6172.7000112.5L1086 F1089 A1212 W1213 Y1216 L1232 S1233 E1234 A1239 M1240L1086-L1236 HydrophobicContact CD1-CD1 3.87Å; L1086-L1236 HydrophobicContact CD1-CD2 3.87Å; L1086-L1236 HydrophobicContact CD1-CG 4.38Å; F1089-L1236 HydrophobicContact CD1-CD2 3.99Å; F1089-L1236 HydrophobicContact CE1-CD2 3.67Å; A1212-L1236 HydrophobicContact CB-CD2 3.73Å; W1213-L1236 HydrophobicContact CE3-CB 3.62Å; W1213-L1236 HydrophobicContact CE3-CD1 3.99Å; W1213-L1236 HydrophobicContact CE3-CG 4.48Å; W1213-L1236 HydrophobicContact CZ3-CB 3.86Å; Y1216-L1236 VanDerWaalsContact CB-CD1 3.45Å; Y1216-L1236 HydrophobicContact CD2-CD1 3.99Å; Y1216-L1236 HydrophobicContact CG-CD1 3.74Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.37Å; L1232-L1236 PolarHBondContact O-N 3.47Å; S1233-L1236 PolarHBondContact O-N 3.19Å; E1234-L1236 PolarHBondContact O-N 3.31Å; L1236-A1239 PolarHBondContact O-N 2.97Å; L1236-M1240 WeakPolarHBondContact O-CB 3.49Å; L1236-M1240 WeakPolarHBondContact O-CG 3.39Å; L1236-M1240 PolarHBondContact O-N 3.46Å
1237T93.1Very high88.6Confident27 Ų2745.2 Ų45.217%0.16622%0.22CC..Hα-helixtrans-61.6-48175-57.70000110.5F779 S1233 E1234 M1240 E1241F779-T1237 HydrophobicContact CZ-CG2 3.94Å; S1233-T1237 VanDerWaalsContact O-CB 3.32Å; S1233-T1237 WeakPolarHBondContact O-CB 3.46Å; S1233-T1237 PolarHBondContact O-N 3.23Å; S1233-T1237 PolarHBondContact O-OG1 3.02Å; E1234-T1237 PolarHBondContact O-N 2.97Å; T1237-M1240 PolarHBondContact O-N 3Å; T1237-E1241 WeakPolarHBondContact CG2-OE1 3.45Å; T1237-E1241 WeakPolarHBondContact O-CB 3.39Å; T1237-E1241 WeakPolarHBondContact O-CG 3.4Å; T1237-E1241 PolarHBondContact O-N 3.5Å
1238D93.4Very high90.5Very high70 Ų7041.4 Ų41.437%0.37420%0.198SC..Hα-helixtrans-65.4-40.9177.1167.172000112.2E1234 F1235 M1240 E1241 R1242E1234-D1238 WeakPolarHBondContact O-CB 3.24Å; E1234-D1238 PolarHBondContact O-N 2.74Å; F1235-D1238 PolarHBondContact O-N 3.15Å; D1238-M1240 PolarHBondContact O-N 3.31Å; D1238-E1241 PolarHBondContact O-N 3.28Å; D1238-R1242 VanDerWaalsContact CG-NE 3.34Å; D1238-R1242 WeakPolarHBondContact O-CB 3.47Å; D1238-R1242 WeakPolarHBondContact O-CG 3.44Å; D1238-R1242 PolarHBondContact O-N 3.31Å; D1238-R1242 IonicContact OD1-NE 3.12Å; D1238-R1242 PolarHBondContact OD1-NE 2.89Å; D1238-R1242 IonicContact OD2-CZ 2.64Å; D1238-R1242 IonicContact OD2-NE 3.66Å; D1238-R1242 PolarHBondContact OD2-NE 3.15Å; D1238-R1242 IonicContact OD2-NH2 2.74Å; D1238-R1242 PolarHBondContact OD2-NH2 3.06Å
1239A95.4Very high92.3Very high0 Ų034.5 Ų34.50%017%0.168CC..Hα-helixtrans-59.6-43.517400000112.2F1089 Y1093 F1235 L1236 R1242 V1243F1089-A1239 HydrophobicContact CE1-CB 4.46Å; F1089-A1239 HydrophobicContact CZ-CB 4.44Å; Y1093-A1239 HydrophobicContact CD2-CB 3.98Å; Y1093-A1239 HydrophobicContact CE1-CB 4.31Å; Y1093-A1239 HydrophobicContact CE2-CB 3.54Å; Y1093-A1239 HydrophobicContact CG-CB 4.5Å; Y1093-A1239 WeakPolarHBondContact OH-CA 3.47Å; Y1093-A1239 PolarHBondContact OH-O 2.8Å; F1235-A1239 WeakPolarHBondContact O-CB 3.48Å; F1235-A1239 PolarHBondContact O-N 3.38Å; L1236-A1239 PolarHBondContact O-N 2.97Å; A1239-R1242 PolarHBondContact O-N 2.77Å; A1239-V1243 WeakPolarHBondContact O-CG2 3.24Å; A1239-V1243 PolarHBondContact O-N 2.69Å
1240M95.3Very high93.3Very high1 Ų135.3 Ų35.31%0.00517%0.169CC..Hα-helixtrans-68.6-43.8176.3-67.516687.700111.4V776 F779 W780 W1213 L1236 T1237 D1238 R1242 V1243 I1244V776-M1240 HydrophobicContact CG1-CE 4.46Å; F779-M1240 HydrophobicContact CD1-CE 3.75Å; F779-M1240 HydrophobicContact CD1-SD 3.97Å; F779-M1240 HydrophobicContact CE1-CE 4.17Å; F779-M1240 HydrophobicContact CE1-SD 3.76Å; W780-M1240 HydrophobicContact CE3-CB 4.32Å; W780-M1240 HydrophobicContact CE3-CE 3.7Å; W780-M1240 HydrophobicContact CE3-CG 4.36Å; W780-M1240 HydrophobicContact CZ3-CB 4.1Å; W780-M1240 HydrophobicContact CZ3-CE 4.28Å; W780-M1240 HydrophobicContact CZ3-CG 4.11Å; W1213-M1240 HydrophobicContact CB-CE 3.95Å; W1213-M1240 HydrophobicContact CB-SD 3.8Å; W1213-M1240 HydrophobicContact CD2-SD 4Å; W1213-M1240 HydrophobicContact CE3-SD 4.11Å; W1213-M1240 HydrophobicContact CG-CE 4.01Å; W1213-M1240 HydrophobicContact CG-SD 3.89Å; L1236-M1240 WeakPolarHBondContact O-CB 3.49Å; L1236-M1240 WeakPolarHBondContact O-CG 3.39Å; L1236-M1240 PolarHBondContact O-N 3.46Å; T1237-M1240 PolarHBondContact O-N 3Å; D1238-M1240 PolarHBondContact O-N 3.31Å; M1240-R1242 VanDerWaalsContact C-N 3.29Å; M1240-R1242 PolarHBondContact O-N 3.12Å; M1240-V1243 PolarHBondContact O-N 3.31Å; M1240-I1244 WeakPolarHBondContact O-CD1 3.22Å; M1240-I1244 VanDerWaalsContact O-CG1 3.3Å; M1240-I1244 WeakPolarHBondContact O-CG1 3.47Å; M1240-I1244 PolarHBondContact O-N 3.33Å
1241E94.9Very high93.9Very high17 Ų1738.5 Ų38.58%0.07918%0.175CC..Hα-helixtrans-58.5-39173.5-75179.5-151.800111.8C783 K786 V787 R790 T1237 D1238 C1245C783-E1241 HydrophobicContact CB-CG 3.83Å; K786-E1241 WeakPolarHBondContact CD-OE1 3.48Å; K786-E1241 WeakPolarHBondContact CE-OE1 3.27Å; K786-E1241 IonicContact NZ-OE1 3.47Å; K786-E1241 PolarHBondContact NZ-OE1 2.92Å; V787-E1241 HydrophobicContact CG2-CB 3.81Å; V787-E1241 HydrophobicContact CG2-CG 4.04Å; V787-E1241 VanDerWaalsContact CG2-O 3.25Å; V787-E1241 WeakPolarHBondContact CG2-O 3.4Å; R790-E1241 IonicContact CZ-OE2 2.94Å; R790-E1241 IonicContact NH1-OE2 2.61Å; R790-E1241 PolarHBondContact NH1-OE2 3.36Å; R790-E1241 IonicContact NH2-OE2 3.75Å; T1237-E1241 WeakPolarHBondContact CG2-OE1 3.45Å; T1237-E1241 WeakPolarHBondContact O-CB 3.39Å; T1237-E1241 WeakPolarHBondContact O-CG 3.4Å; T1237-E1241 PolarHBondContact O-N 3.5Å; D1238-E1241 PolarHBondContact O-N 3.28Å; E1241-C1245 WeakPolarHBondContact O-CB 3.25Å; E1241-C1245 PolarHBondContact O-N 2.71Å; E1241-C1245 VanDerWaalsContact O-N 3.07Å
1242R95.3Very high94.3Very high26 Ų2632.5 Ų32.510%0.09815%0.148CC..Hα-helixtrans-75.7-33.6177.6-73.9-172.9-70.8133.33.4114.1L794 Y1093 E1097 D1238 A1239 M1240 C1245 L1246L794-R1242 HydrophobicContact CD1-CB 4.09Å; L794-R1242 HydrophobicContact CD1-CG 4.22Å; Y1093-R1242 WeakPolarHBondContact OH-CB 3.25Å; E1097-R1242 IonicContact OE1-CZ 3.54Å; E1097-R1242 IonicContact OE1-NH1 2.75Å; E1097-R1242 PolarHBondContact OE1-NH1 3.35Å; E1097-R1242 IonicContact OE2-NH1 3.74Å; E1097-R1242 PolarHBondContact OE2-NH1 3Å; D1238-R1242 VanDerWaalsContact CG-NE 3.34Å; D1238-R1242 WeakPolarHBondContact O-CB 3.47Å; D1238-R1242 WeakPolarHBondContact O-CG 3.44Å; D1238-R1242 PolarHBondContact O-N 3.31Å; D1238-R1242 IonicContact OD1-NE 3.12Å; D1238-R1242 PolarHBondContact OD1-NE 2.89Å; D1238-R1242 IonicContact OD2-CZ 2.64Å; D1238-R1242 IonicContact OD2-NE 3.66Å; D1238-R1242 PolarHBondContact OD2-NE 3.15Å; D1238-R1242 IonicContact OD2-NH2 2.74Å; D1238-R1242 PolarHBondContact OD2-NH2 3.06Å; A1239-R1242 PolarHBondContact O-N 2.77Å; M1240-R1242 VanDerWaalsContact C-N 3.29Å; M1240-R1242 PolarHBondContact O-N 3.12Å; R1242-C1245 WeakPolarHBondContact O-CB 3.23Å; R1242-C1245 PolarHBondContact O-N 2.72Å; R1242-L1246 PolarHBondContact O-N 3.02Å
1243V96.4Very high94.6Very high0 Ų032.3 Ų32.30%015%0.147CC..Hα-helixtrans-66.6-40.4172.3173.70000111.3W780 Y1093 L1202 L1205 E1206 A1239 M1240 C1245 L1246 Q1247W780-V1243 HydrophobicContact CH2-CB 4.3Å; W780-V1243 HydrophobicContact CH2-CG1 3.94Å; Y1093-V1243 HydrophobicContact CE2-CG2 3.84Å; L1202-V1243 HydrophobicContact CD1-CG1 4.26Å; L1205-V1243 HydrophobicContact CD2-CG2 3.89Å; L1205-V1243 HydrophobicContact CG-CG2 3.74Å; E1206-V1243 HydrophobicContact CB-CG1 4.11Å; A1239-V1243 WeakPolarHBondContact O-CG2 3.24Å; A1239-V1243 PolarHBondContact O-N 2.69Å; M1240-V1243 PolarHBondContact O-N 3.31Å; V1243-C1245 VanDerWaalsContact C-N 3.28Å; V1243-C1245 PolarHBondContact O-N 3Å; V1243-L1246 WeakPolarHBondContact O-CB 3.43Å; V1243-L1246 PolarHBondContact O-N 3.44Å; V1243-L1246 VanDerWaalsContact O-N 3.16Å; V1243-Q1247 WeakPolarHBondContact O-CG 3.19Å; V1243-Q1247 PolarHBondContact O-N 3.37Å
1244I95.2Very high94.8Very high2 Ų232.9 Ų32.91%0.0115%0.151CC..Hα-helixtrans-63.9-37.9174.4-62.3158000110.4W780 C783 L784 V787 M1240 Q1247 M1248W780-I1244 HydrophobicContact CD2-CD1 4Å; W780-I1244 HydrophobicContact CD2-CG1 4.24Å; W780-I1244 HydrophobicContact CE3-CD1 4.25Å; W780-I1244 HydrophobicContact CH2-CD1 4.37Å; W780-I1244 HydrophobicContact CH2-CG1 3.76Å; W780-I1244 HydrophobicContact CZ2-CD1 4.14Å; W780-I1244 HydrophobicContact CZ2-CG1 3.44Å; W780-I1244 VanDerWaalsContact CZ2-CG1 3.44Å; W780-I1244 HydrophobicContact CZ3-CD1 4.43Å; W780-I1244 HydrophobicContact CZ3-CG1 4.29Å; C783-I1244 HydrophobicContact CB-CD1 3.71Å; L784-I1244 HydrophobicContact CB-CD1 4.05Å; L784-I1244 HydrophobicContact CB-CG2 4.13Å; L784-I1244 HydrophobicContact CD1-CG2 4.13Å; L784-I1244 HydrophobicContact CG-CG2 3.99Å; V787-I1244 HydrophobicContact CB-CG2 4.26Å; V787-I1244 HydrophobicContact CG1-CG2 4.23Å; V787-I1244 HydrophobicContact CG2-CB 4.46Å; M1240-I1244 WeakPolarHBondContact O-CD1 3.22Å; M1240-I1244 VanDerWaalsContact O-CG1 3.3Å; M1240-I1244 WeakPolarHBondContact O-CG1 3.47Å; M1240-I1244 PolarHBondContact O-N 3.33Å; I1244-Q1247 PolarHBondContact O-N 2.92Å; I1244-M1248 WeakPolarHBondContact O-CG 3.47Å; I1244-M1248 PolarHBondContact O-N 3.39Å
1245C95Very high94.9Very high8 Ų828.1 Ų28.15%0.05413%0.131CC..Hα-helixtrans-60.3-45.7171.9-167.60000111.6V787 L794 E1241 R1242 V1243 Q1247 M1248 V1249V787-C1245 HydrophobicContact CG1-CB 4.06Å; L794-C1245 HydrophobicContact CD1-CB 3.75Å; E1241-C1245 WeakPolarHBondContact O-CB 3.25Å; E1241-C1245 PolarHBondContact O-N 2.71Å; E1241-C1245 VanDerWaalsContact O-N 3.07Å; R1242-C1245 WeakPolarHBondContact O-CB 3.23Å; R1242-C1245 PolarHBondContact O-N 2.72Å; V1243-C1245 VanDerWaalsContact C-N 3.28Å; V1243-C1245 PolarHBondContact O-N 3Å; C1245-Q1247 VanDerWaalsContact C-N 3.34Å; C1245-Q1247 PolarHBondContact O-N 3.29Å; C1245-M1248 PolarHBondContact O-N 2.82Å; C1245-V1249 WeakPolarHBondContact O-CG2 3.45Å; C1245-V1249 PolarHBondContact O-N 2.8Å
1246L95.9Very high94.9Very high0 Ų030 Ų300%014%0.137CC..Hα-helixtrans-58.6-40.4174.2-81.4171.4000112.9L794 E1097 I1100 A1101 L1104 L1202 L1205 R1242 V1243 V1249 Y1250L794-L1246 HydrophobicContact CD1-CG 4.23Å; L794-L1246 HydrophobicContact CD2-CD1 4.2Å; L794-L1246 HydrophobicContact CD2-CD2 3.55Å; L794-L1246 HydrophobicContact CD2-CG 3.72Å; E1097-L1246 HydrophobicContact CG-CD1 4.35Å; I1100-L1246 HydrophobicContact CB-CD1 4.48Å; I1100-L1246 HydrophobicContact CB-CD2 4.5Å; I1100-L1246 HydrophobicContact CG2-CD2 4.1Å; A1101-L1246 HydrophobicContact CB-CD2 4.01Å; L1104-L1246 HydrophobicContact CD1-CD2 4.25Å; L1202-L1246 HydrophobicContact CD1-CB 3.74Å; L1202-L1246 HydrophobicContact CD1-CD1 4.38Å; L1205-L1246 HydrophobicContact CD2-CD1 4.38Å; R1242-L1246 PolarHBondContact O-N 3.02Å; V1243-L1246 WeakPolarHBondContact O-CB 3.43Å; V1243-L1246 PolarHBondContact O-N 3.44Å; V1243-L1246 VanDerWaalsContact O-N 3.16Å; L1246-V1249 PolarHBondContact O-N 3.13Å; L1246-Y1250 WeakPolarHBondContact O-CB 3.4Å; L1246-Y1250 PolarHBondContact O-N 2.9Å
1247Q95.7Very high95Very high52 Ų5230.4 Ų30.424%0.24314%0.138CC..Hα-helixtrans-64.4-42.1175.1-70.4-178.8-37.400112.5L1202 E1206 V1243 I1244 C1245 R1251L1202-Q1247 HydrophobicContact CD1-CG 4.13Å; L1202-Q1247 HydrophobicContact CD2-CG 4.03Å; L1202-Q1247 HydrophobicContact CG-CG 4.03Å; E1206-Q1247 PolarHBondContact OE2-NE2 2.97Å; V1243-Q1247 WeakPolarHBondContact O-CG 3.19Å; V1243-Q1247 PolarHBondContact O-N 3.37Å; I1244-Q1247 PolarHBondContact O-N 2.92Å; C1245-Q1247 VanDerWaalsContact C-N 3.34Å; C1245-Q1247 PolarHBondContact O-N 3.29Å; Q1247-R1251 WeakPolarHBondContact O-CB 3.23Å; Q1247-R1251 PolarHBondContact O-N 3.44Å; Q1247-R1251 VanDerWaalsContact O-N 3.07Å
1248M94.5Very high95Very high37 Ų3733 Ų3318%0.18215%0.145CC..Hα-helixtrans-64.4-41.1174.6-69.7-178.665.900111.9V787 K788 L792 I1244 C1245 R1252V787-M1248 HydrophobicContact CG1-SD 3.88Å; K788-M1248 HydrophobicContact CG-CE 4.35Å; K788-M1248 HydrophobicContact CG-SD 4.38Å; L792-M1248 HydrophobicContact CD2-CB 4.08Å; L792-M1248 HydrophobicContact CD2-CE 4.19Å; L792-M1248 HydrophobicContact CD2-SD 4.35Å; I1244-M1248 WeakPolarHBondContact O-CG 3.47Å; I1244-M1248 PolarHBondContact O-N 3.39Å; C1245-M1248 PolarHBondContact O-N 2.82Å; M1248-R1252 WeakPolarHBondContact O-CB 3.38Å; M1248-R1252 VanDerWaalsContact O-CG 3.26Å; M1248-R1252 WeakPolarHBondContact O-CG 3.36Å; M1248-R1252 PolarHBondContact O-N 2.93Å
1249V95.6Very high95Very high0 Ų036 Ų360%016%0.157CC..Hα-helixtrans-66.6-47176.4171.50000111.3L792 F799 L802 L1104 C1245 L1246 R1251 R1252 M1253L792-V1249 HydrophobicContact CB-CG2 4.33Å; L792-V1249 HydrophobicContact CD1-CG2 4.21Å; F799-V1249 HydrophobicContact CB-CG1 4.4Å; F799-V1249 HydrophobicContact CB-CG2 3.73Å; F799-V1249 HydrophobicContact CD1-CG1 3.47Å; F799-V1249 VanDerWaalsContact CD1-CG1 3.47Å; F799-V1249 HydrophobicContact CD1-CG2 4.31Å; F799-V1249 HydrophobicContact CD2-CG1 4.08Å; F799-V1249 HydrophobicContact CD2-CG2 3.84Å; F799-V1249 HydrophobicContact CE1-CG1 3.54Å; F799-V1249 HydrophobicContact CE2-CG1 4.15Å; F799-V1249 HydrophobicContact CE2-CG2 4.49Å; F799-V1249 HydrophobicContact CG-CB 4.44Å; F799-V1249 HydrophobicContact CG-CG1 3.74Å; F799-V1249 HydrophobicContact CG-CG2 3.72Å; F799-V1249 HydrophobicContact CZ-CG1 3.88Å; L802-V1249 HydrophobicContact CD1-CB 4.48Å; L802-V1249 HydrophobicContact CD1-CG1 4.02Å; L1104-V1249 HydrophobicContact CB-CG1 4.15Å; L1104-V1249 HydrophobicContact CD1-CG1 4.12Å; C1245-V1249 WeakPolarHBondContact O-CG2 3.45Å; C1245-V1249 PolarHBondContact O-N 2.8Å; L1246-V1249 PolarHBondContact O-N 3.13Å; V1249-R1251 PolarHBondContact O-N 3.42Å; V1249-R1252 PolarHBondContact O-N 2.81Å; V1249-M1253 VanDerWaalsContact O-CB 3.23Å; V1249-M1253 WeakPolarHBondContact O-CB 3.13Å; V1249-M1253 PolarHBondContact O-N 3.16Å
1250Y96.3Very high95Very high64 Ų6436.3 Ų36.325%0.25116%0.158SC..Hα-helixtrans-54.8-54176.7175.9-90.2000110.8L1104 L1198 P1199 L1202 L1246 R1252 M1253 S1254L1104-Y1250 HydrophobicContact CD2-CD2 4.09Å; L1198-Y1250 HydrophobicContact CD2-CD2 4.37Å; L1198-Y1250 HydrophobicContact CD2-CE2 4.3Å; P1199-Y1250 HydrophobicContact CB-CE2 4.31Å; L1202-Y1250 HydrophobicContact CD2-CG 4.12Å; L1246-Y1250 WeakPolarHBondContact O-CB 3.4Å; L1246-Y1250 PolarHBondContact O-N 2.9Å; Y1250-R1252 PolarHBondContact O-N 2.87Å; Y1250-M1253 PolarHBondContact O-N 3.21Å; Y1250-S1254 WeakPolarHBondContact O-CB 3.47Å; Y1250-S1254 PolarHBondContact O-N 3.47Å; Y1250-S1254 PolarHBondContact O-OG 3.39Å
1251R95Very high94.9Very high149 Ų14936.2 Ų36.256%0.56216%0.158SC*.Hα-helixtrans-58.8-50.3179.6177.6177.6160.5175.8-4.8112.2E805 Q1247 V1249 M1253 S1254 A1255E805-R1251 IonicContact OE2-CZ 3.84Å; E805-R1251 IonicContact OE2-NE 3.98Å; E805-R1251 PolarHBondContact OE2-NE 3.13Å; E805-R1251 IonicContact OE2-NH2 3.45Å; E805-R1251 PolarHBondContact OE2-NH2 3.17Å; Q1247-R1251 WeakPolarHBondContact O-CB 3.23Å; Q1247-R1251 PolarHBondContact O-N 3.44Å; Q1247-R1251 VanDerWaalsContact O-N 3.07Å; V1249-R1251 PolarHBondContact O-N 3.42Å; R1251-M1253 PolarHBondContact O-N 3.29Å; R1251-S1254 PolarHBondContact O-N 3Å; R1251-A1255 PolarHBondContact O-N 3.34Å
1252R94.8Very high94.7Very high49 Ų4938.2 Ų38.219%0.18517%0.167CC..Hα-helixtrans-66.8-35.1-178.5-69.8173.9-176.7-1592.1112.6L802 E803 M1248 V1249 Y1250 A1255 R1256L802-R1252 HydrophobicContact CB-CB 3.91Å; L802-R1252 HydrophobicContact CD1-CB 4.02Å; L802-R1252 HydrophobicContact CG-CB 4.41Å; L802-R1252 PolarHBondContact O-NH1 3.22Å; E803-R1252 WeakPolarHBondContact O-CD 3.22Å; E803-R1252 PolarHBondContact O-NE 3.46Å; E803-R1252 PolarHBondContact O-NH1 2.96Å; M1248-R1252 WeakPolarHBondContact O-CB 3.38Å; M1248-R1252 VanDerWaalsContact O-CG 3.26Å; M1248-R1252 WeakPolarHBondContact O-CG 3.36Å; M1248-R1252 PolarHBondContact O-N 2.93Å; V1249-R1252 PolarHBondContact O-N 2.81Å; Y1250-R1252 PolarHBondContact O-N 2.87Å; R1252-A1255 WeakPolarHBondContact O-CB 2.89Å; R1252-A1255 PolarHBondContact O-N 2.8Å; R1252-R1256 WeakPolarHBondContact O-CB 3.39Å; R1252-R1256 PolarHBondContact O-N 3.02Å
1253M95Very high94.5Very high0 Ų044.3 Ų44.30%019%0.191CC..Hα-helixtrans-72.4-38.9177.4-162.761.9-124.600111.6L802 L1104 L1107 K1108 V1111 V1249 Y1250 R1251 A1255 R1256 F1257L802-M1253 HydrophobicContact CD1-CB 4.29Å; L802-M1253 HydrophobicContact CD2-SD 3.86Å; L1104-M1253 HydrophobicContact CD2-CB 4.34Å; L1107-M1253 HydrophobicContact CB-CG 4.3Å; L1107-M1253 HydrophobicContact CD2-CG 3.85Å; L1107-M1253 HydrophobicContact CG-CE 4.12Å; L1107-M1253 HydrophobicContact CG-CG 3.93Å; K1108-M1253 VanDerWaalsContact CA-SD 3.6Å; K1108-M1253 HydrophobicContact CB-CE 4.49Å; K1108-M1253 HydrophobicContact CB-SD 3.69Å; K1108-M1253 HydrophobicContact CG-SD 4.42Å; V1111-M1253 HydrophobicContact CB-CE 4.13Å; V1111-M1253 HydrophobicContact CG2-CE 3.72Å; V1249-M1253 VanDerWaalsContact O-CB 3.23Å; V1249-M1253 WeakPolarHBondContact O-CB 3.13Å; V1249-M1253 PolarHBondContact O-N 3.16Å; Y1250-M1253 PolarHBondContact O-N 3.21Å; R1251-M1253 PolarHBondContact O-N 3.29Å; M1253-A1255 VanDerWaalsContact C-N 3.29Å; M1253-A1255 PolarHBondContact O-N 3.49Å; M1253-R1256 HydrophobicContact CE-CB 4.03Å; M1253-R1256 HydrophobicContact CE-CG 4.19Å; M1253-R1256 PolarHBondContact O-N 3.34Å; M1253-F1257 WeakPolarHBondContact O-CB 3.3Å; M1253-F1257 PolarHBondContact O-N 2.99Å
1254S93.9Very high94.2Very high37 Ų3745.9 Ų45.926%0.25920%0.2SC..Hα-helixtrans-60.7-36.8169.9-610000112.3Y1250 R1251 R1258Y1250-S1254 WeakPolarHBondContact O-CB 3.47Å; Y1250-S1254 PolarHBondContact O-N 3.47Å; Y1250-S1254 PolarHBondContact O-OG 3.39Å; R1251-S1254 PolarHBondContact O-N 3Å; S1254-R1258 WeakPolarHBondContact O-CG 3.43Å; S1254-R1258 PolarHBondContact O-N 2.99Å; S1254-R1258 VanDerWaalsContact O-N 3.12Å
1255A93.8Very high93.9Very high12 Ų1248.7 Ų48.710%0.09923%0.229CC..Hα-helixtrans-66.8-49.2173.700000112.7E805 R1251 R1252 M1253 F1257 R1258 H1259E805-A1255 HydrophobicContact CG-CB 4.33Å; E805-A1255 WeakPolarHBondContact OE1-CB 3.49Å; R1251-A1255 PolarHBondContact O-N 3.34Å; R1252-A1255 WeakPolarHBondContact O-CB 2.89Å; R1252-A1255 PolarHBondContact O-N 2.8Å; M1253-A1255 VanDerWaalsContact C-N 3.29Å; M1253-A1255 PolarHBondContact O-N 3.49Å; A1255-F1257 VanDerWaalsContact C-N 3.25Å; A1255-F1257 PolarHBondContact O-N 3.32Å; A1255-R1258 WeakPolarHBondContact O-CB 3.23Å; A1255-R1258 PolarHBondContact O-N 2.67Å; A1255-R1258 VanDerWaalsContact O-N 3.11Å; A1255-H1259 PolarHBondContact O-N 2.89Å
1256R94.5Very high93.7Very high78 Ų7848.8 Ų48.829%0.29423%0.228SC..Hα-helixtrans-61.9-33.2177.1-169.1170.8-177.7-178.70.6112.2D801 R1252 M1253 T1260D801-R1256 IonicContact OD2-CZ 2.66Å; D801-R1256 IonicContact OD2-NH1 2.69Å; D801-R1256 PolarHBondContact OD2-NH1 2.83Å; D801-R1256 IonicContact OD2-NH2 3.33Å; R1252-R1256 WeakPolarHBondContact O-CB 3.39Å; R1252-R1256 PolarHBondContact O-N 3.02Å; M1253-R1256 HydrophobicContact CE-CB 4.03Å; M1253-R1256 HydrophobicContact CE-CG 4.19Å; M1253-R1256 PolarHBondContact O-N 3.34Å; R1256-T1260 WeakPolarHBondContact O-CB 3.48Å; R1256-T1260 PolarHBondContact O-N 3.14Å; R1256-T1260 PolarHBondContact O-OG1 2.58Å
1257F95.4Very high93.4Very high9 Ų952 Ų524%0.03925%0.251CS..Hα-helixtrans-65.3-46.7171.2178.6-103.9000112.3L1107 M1253 A1255 H1259 T1260 L1261 V1276 F1279L1107-F1257 HydrophobicContact CD1-CD2 3.98Å; M1253-F1257 WeakPolarHBondContact O-CB 3.3Å; M1253-F1257 PolarHBondContact O-N 2.99Å; A1255-F1257 VanDerWaalsContact C-N 3.25Å; A1255-F1257 PolarHBondContact O-N 3.32Å; F1257-H1259 PolarHBondContact O-N 3.42Å; F1257-T1260 WeakPolarHBondContact O-CA 3.23Å; F1257-T1260 WeakPolarHBondContact O-CB 3.32Å; F1257-T1260 PolarHBondContact O-N 2.98Å; F1257-L1261 HydrophobicContact CD1-CD1 4.26Å; F1257-L1261 HydrophobicContact CE1-CD1 3.57Å; F1257-L1261 HydrophobicContact CE1-CG 4.05Å; F1257-L1261 HydrophobicContact CE2-CD2 4.31Å; F1257-L1261 HydrophobicContact CE2-CG 4.41Å; F1257-L1261 HydrophobicContact CZ-CD1 3.84Å; F1257-L1261 HydrophobicContact CZ-CD2 3.96Å; F1257-L1261 HydrophobicContact CZ-CG 3.97Å; F1257-L1261 PolarHBondContact O-N 2.96Å; F1257-V1276 HydrophobicContact CD1-CG2 3.71Å; F1257-V1276 HydrophobicContact CD2-CG2 4.37Å; F1257-V1276 HydrophobicContact CE1-CB 4.36Å; F1257-V1276 HydrophobicContact CE1-CG2 3.68Å; F1257-V1276 HydrophobicContact CE2-CG1 4.41Å; F1257-V1276 HydrophobicContact CE2-CG2 4.36Å; F1257-V1276 HydrophobicContact CG-CG2 4.07Å; F1257-V1276 HydrophobicContact CZ-CB 4.29Å; F1257-V1276 HydrophobicContact CZ-CG2 4.03Å; F1257-F1279 AromaticContact CE2-CD1 3.67Å; F1257-F1279 HydrophobicContact CE2-CD1 3.67Å; F1257-F1279 HydrophobicContact CE2-CE1 4.17Å; F1257-F1279 HydrophobicContact CE2-CG 4.29Å; F1257-F1279 HydrophobicContact CZ-CB 3.97Å; F1257-F1279 AromaticContact CZ-CD1 3.9Å; F1257-F1279 HydrophobicContact CZ-CD1 3.9Å; F1257-F1279 HydrophobicContact CZ-CG 4.06Å
1258R94.4Very high93.1Very high82 Ų8253.8 Ų53.831%0.30927%0.267SS..Hα-helixtrans-55.4-49.3173.5-72.9-179-68.5124.1-5111.9E805 S1254 A1255 T1260 L1261 E1262E805-R1258 IonicContact OE1-NH2 3.74Å; E805-R1258 PolarHBondContact OE1-NH2 3.43Å; S1254-R1258 WeakPolarHBondContact O-CG 3.43Å; S1254-R1258 PolarHBondContact O-N 2.99Å; S1254-R1258 VanDerWaalsContact O-N 3.12Å; A1255-R1258 WeakPolarHBondContact O-CB 3.23Å; A1255-R1258 PolarHBondContact O-N 2.67Å; A1255-R1258 VanDerWaalsContact O-N 3.11Å; R1258-T1260 PolarHBondContact O-N 3.44Å; R1258-L1261 WeakPolarHBondContact O-CB 3.41Å; R1258-L1261 PolarHBondContact O-N 2.97Å; R1258-L1261 VanDerWaalsContact O-N 3.09Å; R1258-E1262 WeakPolarHBondContact O-CG 3.27Å; R1258-E1262 PolarHBondContact O-N 2.97Å
1259H93.6Very high93Very high133 Ų13355.5 Ų55.562%0.61629%0.287SS*.Hα-helixtrans-59.4-32.2173.9-97.628.2000113.5A1255 F1257 E1262 Y1263A1255-H1259 PolarHBondContact O-N 2.89Å; F1257-H1259 PolarHBondContact O-N 3.42Å; H1259-E1262 IonicContact CE1-OE2 2.85Å; H1259-E1262 IonicContact CG-OE2 3.97Å; H1259-E1262 IonicContact ND1-OE2 3.62Å; H1259-E1262 PolarHBondContact ND1-OE2 3.08Å; H1259-E1262 PolarHBondContact O-N 3.26Å; H1259-Y1263 WeakPolarHBondContact O-CB 3.45Å; H1259-Y1263 PolarHBondContact O-N 2.97Å
1260T93.8Very high92.8Very high6 Ų659.7 Ų59.74%0.03730%0.303CS..Hα-helixtrans-70.2-37.8175.5-54.40000111.4V1111 L1114 I1115 R1256 F1257 R1258 L1264V1111-T1260 HydrophobicContact CG1-CG2 4.23Å; V1111-T1260 VanDerWaalsContact CG1-OG1 3.32Å; V1111-T1260 WeakPolarHBondContact CG1-OG1 3.28Å; V1111-T1260 HydrophobicContact CG2-CG2 4.38Å; L1114-T1260 HydrophobicContact CD2-CG2 4.32Å; I1115-T1260 HydrophobicContact CD1-CG2 4.3Å; I1115-T1260 HydrophobicContact CG1-CG2 4.33Å; R1256-T1260 WeakPolarHBondContact O-CB 3.48Å; R1256-T1260 PolarHBondContact O-N 3.14Å; R1256-T1260 PolarHBondContact O-OG1 2.58Å; F1257-T1260 WeakPolarHBondContact O-CA 3.23Å; F1257-T1260 WeakPolarHBondContact O-CB 3.32Å; F1257-T1260 PolarHBondContact O-N 2.98Å; R1258-T1260 PolarHBondContact O-N 3.44Å; T1260-L1264 HydrophobicContact CG2-CD1 4.27Å; T1260-L1264 WeakPolarHBondContact O-CD1 3.22Å; T1260-L1264 VanDerWaalsContact O-CG 3.23Å; T1260-L1264 WeakPolarHBondContact O-CG 3.36Å; T1260-L1264 PolarHBondContact O-N 3.21Å; T1260-L1264 VanDerWaalsContact O-N 3.08Å
1261L94Very high92.6Very high0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-66.4-40.2172.1-64.3-177.6000112F1257 R1258 L1264 G1265 Y1266 A1271 T1274 F1279F1257-L1261 HydrophobicContact CD1-CD1 4.26Å; F1257-L1261 HydrophobicContact CE1-CD1 3.57Å; F1257-L1261 HydrophobicContact CE1-CG 4.05Å; F1257-L1261 HydrophobicContact CE2-CD2 4.31Å; F1257-L1261 HydrophobicContact CE2-CG 4.41Å; F1257-L1261 HydrophobicContact CZ-CD1 3.84Å; F1257-L1261 HydrophobicContact CZ-CD2 3.96Å; F1257-L1261 HydrophobicContact CZ-CG 3.97Å; F1257-L1261 PolarHBondContact O-N 2.96Å; R1258-L1261 WeakPolarHBondContact O-CB 3.41Å; R1258-L1261 PolarHBondContact O-N 2.97Å; R1258-L1261 VanDerWaalsContact O-N 3.09Å; L1261-L1264 CarbonylContact O-C 3.55Å; L1261-L1264 WeakPolarHBondContact O-CA 3.49Å; L1261-L1264 PolarHBondContact O-N 3.34Å; L1261-L1264 VanDerWaalsContact O-N 3.11Å; L1261-G1265 PolarHBondContact O-N 3.41Å; L1261-Y1266 HydrophobicContact CB-CD2 4.4Å; L1261-Y1266 HydrophobicContact CB-CG 4.27Å; L1261-Y1266 WeakPolarHBondContact O-CB 3.5Å; L1261-Y1266 PolarHBondContact O-N 3.47Å; L1261-A1271 HydrophobicContact CB-CB 3.89Å; L1261-A1271 HydrophobicContact CD1-CB 4.3Å; L1261-T1274 HydrophobicContact CD1-CG2 3.9Å; L1261-F1279 HydrophobicContact CD2-CD1 4.19Å; L1261-F1279 HydrophobicContact CD2-CD2 3.45Å; L1261-F1279 VanDerWaalsContact CD2-CD2 3.45Å; L1261-F1279 HydrophobicContact CD2-CE1 4.18Å; L1261-F1279 HydrophobicContact CD2-CE2 3.45Å; L1261-F1279 VanDerWaalsContact CD2-CE2 3.45Å; L1261-F1279 HydrophobicContact CD2-CG 3.83Å; L1261-F1279 HydrophobicContact CD2-CZ 3.83Å
1262E91.7Very high92.4Very high59 Ų5953.7 Ų53.728%0.27629%0.293SS..Hα-helixtrans-63.4-42.6175.8-71.7159.6-173.400111.6R1258 H1259 L1264 G1265 A1271R1258-E1262 WeakPolarHBondContact O-CG 3.27Å; R1258-E1262 PolarHBondContact O-N 2.97Å; H1259-E1262 IonicContact CE1-OE2 2.85Å; H1259-E1262 IonicContact CG-OE2 3.97Å; H1259-E1262 IonicContact ND1-OE2 3.62Å; H1259-E1262 PolarHBondContact ND1-OE2 3.08Å; H1259-E1262 PolarHBondContact O-N 3.26Å; E1262-L1264 PolarHBondContact O-N 3.2Å; E1262-G1265 PolarHBondContact O-N 3.28Å; E1262-A1271 HydrophobicContact CG-CB 3.89Å
1263Y90.1Very high92.3Very high154 Ų15455.7 Ų55.760%0.60431%0.314SS*.Hα-helixtrans-59.5-33.1170.4170.6-101.8000112.9I1115 H1259 G1265I1115-Y1263 HydrophobicContact CG1-CE1 4.45Å; H1259-Y1263 WeakPolarHBondContact O-CB 3.45Å; H1259-Y1263 PolarHBondContact O-N 2.97Å; Y1263-G1265 PolarHBondContact O-N 3.16Å
1264L90.8Very high92.1Very high33 Ų3356.5 Ų56.517%0.17332%0.32CS..THydrogen-bonded Turntrans-83.710.2174-65.8166.7000113.6L1114 L1144 T1260 L1261 E1262 Y1266 F1279L1114-L1264 HydrophobicContact CD2-CD1 3.89Å; L1144-L1264 HydrophobicContact CD1-CB 4.34Å; L1144-L1264 HydrophobicContact CD2-CD1 4.19Å; L1144-L1264 HydrophobicContact CD2-CD2 4.32Å; T1260-L1264 HydrophobicContact CG2-CD1 4.27Å; T1260-L1264 WeakPolarHBondContact O-CD1 3.22Å; T1260-L1264 VanDerWaalsContact O-CG 3.23Å; T1260-L1264 WeakPolarHBondContact O-CG 3.36Å; T1260-L1264 PolarHBondContact O-N 3.21Å; T1260-L1264 VanDerWaalsContact O-N 3.08Å; L1261-L1264 CarbonylContact O-C 3.55Å; L1261-L1264 WeakPolarHBondContact O-CA 3.49Å; L1261-L1264 PolarHBondContact O-N 3.34Å; L1261-L1264 VanDerWaalsContact O-N 3.11Å; E1262-L1264 PolarHBondContact O-N 3.2Å; L1264-Y1266 HydrophobicContact CB-CD2 4.44Å; L1264-F1279 HydrophobicContact CD1-CE2 4.17Å; L1264-F1279 HydrophobicContact CD1-CZ 3.61Å
1265G87.3Confident92.1Very high60 Ų6057.2 Ų57.262%0.61932%0.324SS*.THydrogen-bonded Turntrans86.111.6172.600000115.8L1261 E1262 Y1263L1261-G1265 PolarHBondContact O-N 3.41Å; E1262-G1265 PolarHBondContact O-N 3.28Å; Y1263-G1265 PolarHBondContact O-N 3.16Å
1266Y90.7Very high92.1Very high10 Ų1057.3 Ų57.34%0.03932%0.324CS..  trans-74.2136.7169.6-72.9-111.8000109.6L1144 D1145 L1261 L1264 R1270L1144-Y1266 HydrophobicContact CB-CE2 4.46Å; D1145-Y1266 PolarHBondContact OD1-OH 2.65Å; D1145-Y1266 PolarHBondContact OD2-OH 3.3Å; L1261-Y1266 HydrophobicContact CB-CD2 4.4Å; L1261-Y1266 HydrophobicContact CB-CG 4.27Å; L1261-Y1266 WeakPolarHBondContact O-CB 3.5Å; L1261-Y1266 PolarHBondContact O-N 3.47Å; L1264-Y1266 HydrophobicContact CB-CD2 4.44Å; Y1266-R1270 HydrophobicContact CD1-CG 4.03Å
1267S90.5Very high92.1Very high69 Ų6954.4 Ų54.448%0.48332%0.318SS..  trans-65.7148.9172.460.30000110.6A1269 R1270 A1271S1267-A1269 VanDerWaalsContact C-N 3.27Å; S1267-A1269 PolarHBondContact O-N 3.22Å; S1267-A1269 VanDerWaalsContact O-N 3.14Å; S1267-R1270 CarbonylContact O-C 3.35Å; S1267-R1270 WeakPolarHBondContact O-CA 3.36Å; S1267-R1270 PolarHBondContact O-N 2.68Å; S1267-A1271 PolarHBondContact O-N 2.74Å
1268P90.1Very high92Very high89 Ų8959 Ų5958%0.57834%0.336SS*.Hα-helixtrans-53.8-40.1-175.3-30.436.3000114.1R1270 A1271 S1272P1268-R1270 PolarHBondContact O-N 3.14Å; P1268-A1271 PolarHBondContact O-N 3.21Å; P1268-S1272 PolarHBondContact O-N 2.76Å; P1268-S1272 PolarHBondContact O-OG 2.87Å
1269A92.4Very high92.1Very high73 Ų7355.4 Ų55.460%0.60332%0.322SS*.Hα-helixtrans-59.3-45.9173.600000112S1267 S1272 S1273S1267-A1269 VanDerWaalsContact C-N 3.27Å; S1267-A1269 PolarHBondContact O-N 3.22Å; S1267-A1269 VanDerWaalsContact O-N 3.14Å; A1269-S1272 PolarHBondContact O-N 3.27Å; A1269-S1272 PolarHBondContact O-OG 3.26Å; A1269-S1273 PolarHBondContact O-N 3.01Å
1270R90.9Very high92.2Very high88 Ų8849.2 Ų49.233%0.33229%0.294SS..Hα-helixtrans-72.9-33178.6-162.8177.7178.6-152.7-11.9112.3D1145 Y1266 S1267 P1268 S1272 S1273 T1274D1145-R1270 IonicContact OD1-CZ 3.98Å; D1145-R1270 IonicContact OD1-NH2 2.68Å; D1145-R1270 PolarHBondContact OD1-NH2 3.37Å; D1145-R1270 IonicContact OD2-CZ 3.47Å; D1145-R1270 IonicContact OD2-NH1 2.72Å; D1145-R1270 PolarHBondContact OD2-NH1 3.23Å; D1145-R1270 IonicContact OD2-NH2 2.68Å; D1145-R1270 PolarHBondContact OD2-NH2 3.16Å; Y1266-R1270 HydrophobicContact CD1-CG 4.03Å; S1267-R1270 CarbonylContact O-C 3.35Å; S1267-R1270 WeakPolarHBondContact O-CA 3.36Å; S1267-R1270 PolarHBondContact O-N 2.68Å; P1268-R1270 PolarHBondContact O-N 3.14Å; R1270-S1272 VanDerWaalsContact C-N 3.35Å; R1270-S1273 PolarHBondContact O-N 3.03Å; R1270-S1273 PolarHBondContact O-OG 2.81Å; R1270-T1274 WeakPolarHBondContact O-CB 3.43Å; R1270-T1274 PolarHBondContact O-N 2.77Å; R1270-T1274 VanDerWaalsContact O-N 3.11Å; R1270-T1274 PolarHBondContact O-OG1 2.87Å
1271A91.3Very high92.2Very high2 Ų253 Ų532%0.01731%0.307CS..Hα-helixtrans-62.7-41.3171.800000111.3L1261 E1262 S1267 P1268 S1273L1261-A1271 HydrophobicContact CB-CB 3.89Å; L1261-A1271 HydrophobicContact CD1-CB 4.3Å; E1262-A1271 HydrophobicContact CG-CB 3.89Å; S1267-A1271 PolarHBondContact O-N 2.74Å; P1268-A1271 PolarHBondContact O-N 3.21Å; A1271-S1273 VanDerWaalsContact C-N 3.31Å; A1271-S1273 PolarHBondContact O-N 2.79Å
1272S90.5Very high92.3Very high84 Ų8453.5 Ų53.559%0.58731%0.31SS*.Hα-helixtrans-67.5-26.6174.4720000114.3P1268 A1269 R1270P1268-S1272 PolarHBondContact O-N 2.76Å; P1268-S1272 PolarHBondContact O-OG 2.87Å; A1269-S1272 PolarHBondContact O-N 3.27Å; A1269-S1272 PolarHBondContact O-OG 3.26Å; R1270-S1272 VanDerWaalsContact C-N 3.35Å
1273S92.6Very high92.5Very high91 Ų9150.7 Ų50.764%0.63630%0.297SS*.Hα-helixtrans-95-5-178.574.60000114.2A1269 R1270 A1271A1269-S1273 PolarHBondContact O-N 3.01Å; R1270-S1273 PolarHBondContact O-N 3.03Å; R1270-S1273 PolarHBondContact O-OG 2.81Å; A1271-S1273 VanDerWaalsContact C-N 3.31Å; A1271-S1273 PolarHBondContact O-N 2.79Å
1274T92.5Very high92.7Very high18 Ų1843.8 Ų43.811%0.1127%0.272CS..  trans-93.2116.2-175.6-63.30000110.1L1261 R1270 Y1278 F1279L1261-T1274 HydrophobicContact CD1-CG2 3.9Å; R1270-T1274 WeakPolarHBondContact O-CB 3.43Å; R1270-T1274 PolarHBondContact O-N 2.77Å; R1270-T1274 VanDerWaalsContact O-N 3.11Å; R1270-T1274 PolarHBondContact O-OG1 2.87Å; T1274-Y1278 HydrophobicContact CG2-CD1 4.45Å; T1274-F1279 HydrophobicContact CG2-CB 4.12Å
1275S92.8Very high93Very high51 Ų5146.1 Ų46.136%0.35728%0.282SS..  trans-73144.5177.773.70000111.8G1277 Y1278 F1279S1275-G1277 VanDerWaalsContact C-N 3.29Å; S1275-G1277 PolarHBondContact O-N 2.74Å; S1275-Y1278 PolarHBondContact O-N 3.41Å; S1275-Y1278 WeakPolarHBondContact OG-CB 3.28Å; S1275-Y1278 PolarHBondContact OG-N 2.92Å; S1275-F1279 PolarHBondContact O-N 2.87Å; S1275-F1279 VanDerWaalsContact O-N 3.16Å
1276V95.3Very high93.4Very high14 Ų1443.4 Ų43.49%0.08525%0.253CS..Hα-helixtrans-55.1-46.2178.3-179.60000110.7L1107 W1195 F1257 Y1278 F1279 C1280L1107-V1276 HydrophobicContact CD1-CG1 3.59Å; L1107-V1276 HydrophobicContact CD2-CG1 4.09Å; L1107-V1276 HydrophobicContact CD2-CG2 4.09Å; L1107-V1276 HydrophobicContact CG-CG1 4.44Å; W1195-V1276 HydrophobicContact CD2-CB 3.72Å; W1195-V1276 HydrophobicContact CD2-CG1 3.8Å; W1195-V1276 HydrophobicContact CD2-CG2 4.3Å; W1195-V1276 VanDerWaalsContact CE2-CG1 3.47Å; W1195-V1276 HydrophobicContact CE3-CB 4.21Å; W1195-V1276 HydrophobicContact CE3-CG1 4.32Å; W1195-V1276 HydrophobicContact CE3-CG2 4.29Å; W1195-V1276 HydrophobicContact CG-CB 3.83Å; W1195-V1276 HydrophobicContact CG-CG1 4.26Å; W1195-V1276 HydrophobicContact CH2-CG1 4.37Å; W1195-V1276 HydrophobicContact CZ2-CG1 3.81Å; F1257-V1276 HydrophobicContact CD1-CG2 3.71Å; F1257-V1276 HydrophobicContact CD2-CG2 4.37Å; F1257-V1276 HydrophobicContact CE1-CB 4.36Å; F1257-V1276 HydrophobicContact CE1-CG2 3.68Å; F1257-V1276 HydrophobicContact CE2-CG1 4.41Å; F1257-V1276 HydrophobicContact CE2-CG2 4.36Å; F1257-V1276 HydrophobicContact CG-CG2 4.07Å; F1257-V1276 HydrophobicContact CZ-CB 4.29Å; F1257-V1276 HydrophobicContact CZ-CG2 4.03Å; V1276-Y1278 PolarHBondContact O-N 2.85Å; V1276-F1279 PolarHBondContact O-N 2.87Å; V1276-C1280 WeakPolarHBondContact O-CB 3.45Å; V1276-C1280 PolarHBondContact O-N 2.97Å; V1276-C1280 PolarHBondContact O-SG 3.09Å; V1276-C1280 VanDerWaalsContact O-SG 3.37Å
1277G94Very high93.7Very high17 Ų1743 Ų4318%0.17525%0.251CS..Hα-helixtrans-60.2-41179.800000113.7S1275 R1281S1275-G1277 VanDerWaalsContact C-N 3.29Å; S1275-G1277 PolarHBondContact O-N 2.74Å; G1277-R1281 WeakPolarHBondContact O-CB 3.39Å; G1277-R1281 PolarHBondContact O-N 2.85Å
1278Y93.4Very high94Very high106 Ų10643.7 Ų43.742%0.41625%0.249SC..Hα-helixtrans-65.8-45.2177.4177.5-97.1000111.9T1274 S1275 V1276 R1281 I1282T1274-Y1278 HydrophobicContact CG2-CD1 4.45Å; S1275-Y1278 PolarHBondContact O-N 3.41Å; S1275-Y1278 WeakPolarHBondContact OG-CB 3.28Å; S1275-Y1278 PolarHBondContact OG-N 2.92Å; V1276-Y1278 PolarHBondContact O-N 2.85Å; Y1278-R1281 PolarHBondContact O-N 3.31Å; Y1278-I1282 HydrophobicContact CD1-CD1 4.01Å; Y1278-I1282 HydrophobicContact CE1-CD1 3.43Å; Y1278-I1282 VanDerWaalsContact CE1-CD1 3.43Å; Y1278-I1282 HydrophobicContact CE2-CD1 4.21Å; Y1278-I1282 PolarHBondContact O-N 3.16Å
1279F95.4Very high94.2Very high7 Ų743.6 Ų43.63%0.03124%0.241CC..Hα-helixtrans-66.1-49.3179.3177.1-99.1000112.4L1114 L1144 F1257 L1261 L1264 T1274 S1275 V1276 R1281 I1282 L1283L1114-F1279 HydrophobicContact CD2-CE1 3.75Å; L1114-F1279 HydrophobicContact CD2-CZ 3.81Å; L1144-F1279 HydrophobicContact CD2-CE2 4.13Å; L1144-F1279 HydrophobicContact CD2-CZ 4.34Å; F1257-F1279 AromaticContact CE2-CD1 3.67Å; F1257-F1279 HydrophobicContact CE2-CD1 3.67Å; F1257-F1279 HydrophobicContact CE2-CE1 4.17Å; F1257-F1279 HydrophobicContact CE2-CG 4.29Å; F1257-F1279 HydrophobicContact CZ-CB 3.97Å; F1257-F1279 AromaticContact CZ-CD1 3.9Å; F1257-F1279 HydrophobicContact CZ-CD1 3.9Å; F1257-F1279 HydrophobicContact CZ-CG 4.06Å; L1261-F1279 HydrophobicContact CD2-CD1 4.19Å; L1261-F1279 HydrophobicContact CD2-CD2 3.45Å; L1261-F1279 VanDerWaalsContact CD2-CD2 3.45Å; L1261-F1279 HydrophobicContact CD2-CE1 4.18Å; L1261-F1279 HydrophobicContact CD2-CE2 3.45Å; L1261-F1279 VanDerWaalsContact CD2-CE2 3.45Å; L1261-F1279 HydrophobicContact CD2-CG 3.83Å; L1261-F1279 HydrophobicContact CD2-CZ 3.83Å; L1264-F1279 HydrophobicContact CD1-CE2 4.17Å; L1264-F1279 HydrophobicContact CD1-CZ 3.61Å; T1274-F1279 HydrophobicContact CG2-CB 4.12Å; S1275-F1279 PolarHBondContact O-N 2.87Å; S1275-F1279 VanDerWaalsContact O-N 3.16Å; V1276-F1279 PolarHBondContact O-N 2.87Å; F1279-R1281 VanDerWaalsContact C-N 3.26Å; F1279-R1281 PolarHBondContact O-N 2.75Å; F1279-I1282 PolarHBondContact O-N 3.44Å; F1279-L1283 HydrophobicContact CD1-CD1 4.35Å; F1279-L1283 HydrophobicContact CE1-CD1 3.61Å; F1279-L1283 HydrophobicContact CE2-CD1 3.99Å; F1279-L1283 HydrophobicContact CZ-CD1 3.39Å; F1279-L1283 PolarHBondContact O-N 3.33Å
1280C95.7Very high94.5Very high2 Ų240.1 Ų40.11%0.01421%0.212CC..Hα-helixtrans-62.5-33.2176.7-68.10000112L1187 C1190 H1191 V1276 A1284L1187-C1280 WeakPolarHBondContact CD2-O 3.44Å; L1187-C1280 HydrophobicContact CG-CB 4.23Å; C1190-C1280 HydrophobicContact CB-CB 4.12Å; H1191-C1280 HydrophobicContact CB-CB 4.16Å; V1276-C1280 WeakPolarHBondContact O-CB 3.45Å; V1276-C1280 PolarHBondContact O-N 2.97Å; V1276-C1280 PolarHBondContact O-SG 3.09Å; V1276-C1280 VanDerWaalsContact O-SG 3.37Å; C1280-A1284 WeakPolarHBondContact O-CB 3.41Å; C1280-A1284 PolarHBondContact O-N 2.99Å
1281R94.9Very high94.7Very high85 Ų8539.4 Ų39.432%0.32121%0.209SC..Hα-helixtrans-60.8-52.2174.3-176.8-176.97477.915.7111.9G1277 Y1278 F1279 L1283 A1284 E1285G1277-R1281 WeakPolarHBondContact O-CB 3.39Å; G1277-R1281 PolarHBondContact O-N 2.85Å; Y1278-R1281 PolarHBondContact O-N 3.31Å; F1279-R1281 VanDerWaalsContact C-N 3.26Å; F1279-R1281 PolarHBondContact O-N 2.75Å; R1281-L1283 VanDerWaalsContact C-N 3.31Å; R1281-L1283 PolarHBondContact O-N 2.89Å; R1281-A1284 PolarHBondContact O-N 3.31Å; R1281-E1285 VanDerWaalsContact CD-OE1 3.3Å; R1281-E1285 WeakPolarHBondContact CD-OE1 3.44Å; R1281-E1285 VanDerWaalsContact CG-CD 3.49Å; R1281-E1285 HydrophobicContact CG-CG 4.18Å; R1281-E1285 WeakPolarHBondContact CG-OE1 3.45Å; R1281-E1285 IonicContact CZ-OE1 3.87Å; R1281-E1285 IonicContact CZ-OE2 3.4Å; R1281-E1285 IonicContact NE-OE1 2.76Å; R1281-E1285 IonicContact NH1-OE1 3.51Å; R1281-E1285 PolarHBondContact NH1-OE1 3.49Å; R1281-E1285 IonicContact NH1-OE2 2.76Å; R1281-E1285 PolarHBondContact NH1-OE2 3.12Å; R1281-E1285 WeakPolarHBondContact O-CB 3.28Å; R1281-E1285 WeakPolarHBondContact O-CG 3.24Å; R1281-E1285 PolarHBondContact O-N 2.89Å
1282I95.1Very high94.9Very high11 Ų1141.5 Ų41.56%0.05622%0.222CC..Hα-helixtrans-58.4-43.9-177.7-69.5170.5000111.2Y1278 F1279 F1286Y1278-I1282 HydrophobicContact CD1-CD1 4.01Å; Y1278-I1282 HydrophobicContact CE1-CD1 3.43Å; Y1278-I1282 VanDerWaalsContact CE1-CD1 3.43Å; Y1278-I1282 HydrophobicContact CE2-CD1 4.21Å; Y1278-I1282 PolarHBondContact O-N 3.16Å; F1279-I1282 PolarHBondContact O-N 3.44Å; I1282-F1286 WeakPolarHBondContact O-CB 3.42Å; I1282-F1286 PolarHBondContact O-N 3.29Å
1283L95.9Very high95.2Very high1 Ų138.2 Ų38.21%0.00520%0.199CC..Hα-helixtrans-72.3-34.9178.7-82.7167.1000113.2L1114 L1120 L1144 L1147 L1187 F1279 R1281 A1287L1114-L1283 HydrophobicContact CD1-CD1 3.76Å; L1114-L1283 HydrophobicContact CD2-CD1 4.19Å; L1120-L1283 HydrophobicContact CD1-CD2 4.31Å; L1120-L1283 HydrophobicContact CD2-CD2 4.4Å; L1144-L1283 HydrophobicContact CD2-CD1 4.23Å; L1144-L1283 HydrophobicContact CD2-CD2 4.33Å; L1147-L1283 HydrophobicContact CD1-CD2 3.76Å; L1187-L1283 HydrophobicContact CD1-CB 3.96Å; L1187-L1283 HydrophobicContact CD1-CD1 3.84Å; L1187-L1283 HydrophobicContact CD2-CB 3.67Å; L1187-L1283 HydrophobicContact CG-CB 4.46Å; F1279-L1283 HydrophobicContact CD1-CD1 4.35Å; F1279-L1283 HydrophobicContact CE1-CD1 3.61Å; F1279-L1283 HydrophobicContact CE2-CD1 3.99Å; F1279-L1283 HydrophobicContact CZ-CD1 3.39Å; F1279-L1283 PolarHBondContact O-N 3.33Å; R1281-L1283 VanDerWaalsContact C-N 3.31Å; R1281-L1283 PolarHBondContact O-N 2.89Å; L1283-A1287 WeakPolarHBondContact O-CB 3.32Å; L1283-A1287 PolarHBondContact O-N 3.49Å
1284A95.9Very high95.3Very high8 Ų836.3 Ų36.37%0.06618%0.177CC..Hα-helixtrans-69.7-44176.400000112.3L1187 H1191 C1280 R1281 A1287 L1288L1187-A1284 HydrophobicContact CD2-CB 4.06Å; H1191-A1284 HydrophobicContact CB-CB 4.18Å; C1280-A1284 WeakPolarHBondContact O-CB 3.41Å; C1280-A1284 PolarHBondContact O-N 2.99Å; R1281-A1284 PolarHBondContact O-N 3.31Å; A1284-A1287 PolarHBondContact O-N 3.41Å; A1284-L1288 PolarHBondContact O-N 3.36Å; A1284-L1288 VanDerWaalsContact O-N 3.12Å
1285E95.6Very high95.5Very high82 Ų8238.7 Ų38.738%0.38319%0.187SC..Hα-helixtrans-59.9-51.2173.6-72.417017800110.3R1281 A1287 L1288 E1289R1281-E1285 VanDerWaalsContact CD-OE1 3.3Å; R1281-E1285 WeakPolarHBondContact CD-OE1 3.44Å; R1281-E1285 VanDerWaalsContact CG-CD 3.49Å; R1281-E1285 HydrophobicContact CG-CG 4.18Å; R1281-E1285 WeakPolarHBondContact CG-OE1 3.45Å; R1281-E1285 IonicContact CZ-OE1 3.87Å; R1281-E1285 IonicContact CZ-OE2 3.4Å; R1281-E1285 IonicContact NE-OE1 2.76Å; R1281-E1285 IonicContact NH1-OE1 3.51Å; R1281-E1285 PolarHBondContact NH1-OE1 3.49Å; R1281-E1285 IonicContact NH1-OE2 2.76Å; R1281-E1285 PolarHBondContact NH1-OE2 3.12Å; R1281-E1285 WeakPolarHBondContact O-CB 3.28Å; R1281-E1285 WeakPolarHBondContact O-CG 3.24Å; R1281-E1285 PolarHBondContact O-N 2.89Å; E1285-A1287 VanDerWaalsContact C-N 3.35Å; E1285-A1287 PolarHBondContact O-N 3.3Å; E1285-L1288 PolarHBondContact O-N 3.05Å; E1285-E1289 PolarHBondContact O-N 2.85Å
1286F96.5Very high95.5Very high4 Ų442.8 Ų42.82%0.01820%0.199CC..Hα-helixtrans-58.9-42.1176.8174.5-104.7000113I1123 L1147 L1150 L1163 L1180 I1282 L1288 E1289 Y1290I1123-F1286 HydrophobicContact CD1-CE1 4.29Å; I1123-F1286 HydrophobicContact CD1-CZ 4.46Å; I1123-F1286 HydrophobicContact CG2-CE1 4.01Å; I1123-F1286 HydrophobicContact CG2-CZ 3.69Å; L1147-F1286 HydrophobicContact CB-CB 4.16Å; L1147-F1286 HydrophobicContact CB-CD1 4.4Å; L1147-F1286 HydrophobicContact CB-CD2 3.92Å; L1147-F1286 HydrophobicContact CB-CG 3.86Å; L1147-F1286 HydrophobicContact CD1-CD1 4.06Å; L1147-F1286 HydrophobicContact CD1-CE1 4.49Å; L1147-F1286 HydrophobicContact CD1-CG 4.32Å; L1147-F1286 HydrophobicContact CD2-CE1 4.35Å; L1147-F1286 HydrophobicContact CD2-CE2 4.37Å; L1147-F1286 HydrophobicContact CD2-CZ 4.29Å; L1147-F1286 HydrophobicContact CG-CG 4.5Å; L1150-F1286 HydrophobicContact CD1-CD2 4.08Å; L1150-F1286 HydrophobicContact CD1-CE2 3.44Å; L1150-F1286 VanDerWaalsContact CD1-CE2 3.44Å; L1150-F1286 HydrophobicContact CD1-CZ 4.14Å; L1163-F1286 HydrophobicContact CD1-CE2 3.7Å; L1163-F1286 HydrophobicContact CD1-CZ 4.16Å; L1180-F1286 HydrophobicContact CD2-CD1 3.86Å; L1180-F1286 HydrophobicContact CD2-CE1 3.61Å; I1282-F1286 WeakPolarHBondContact O-CB 3.42Å; I1282-F1286 PolarHBondContact O-N 3.29Å; F1286-L1288 VanDerWaalsContact C-N 3.34Å; F1286-L1288 PolarHBondContact O-N 3.24Å; F1286-E1289 PolarHBondContact O-N 3.38Å; F1286-Y1290 HydrophobicContact CZ-CD2 4.48Å; F1286-Y1290 WeakPolarHBondContact O-CB 3.09Å; F1286-Y1290 PolarHBondContact O-N 2.86Å
1287A96.6Very high95.4Very high0 Ų042.6 Ų42.60%020%0.197CC..Hα-helixtrans-64.1-38.5179.600000112.3L1180 H1181 L1283 A1284 E1285 R1291L1180-A1287 HydrophobicContact CB-CB 4.28Å; L1180-A1287 HydrophobicContact CD2-CB 4.07Å; L1180-A1287 HydrophobicContact CG-CB 3.88Å; H1181-A1287 HydrophobicContact CB-CB 4.14Å; L1283-A1287 WeakPolarHBondContact O-CB 3.32Å; L1283-A1287 PolarHBondContact O-N 3.49Å; A1284-A1287 PolarHBondContact O-N 3.41Å; E1285-A1287 VanDerWaalsContact C-N 3.35Å; E1285-A1287 PolarHBondContact O-N 3.3Å; A1287-R1291 WeakPolarHBondContact O-CB 3.44Å; A1287-R1291 PolarHBondContact O-N 3.37Å
1288L96Very high95.3Very high84 Ų8443.9 Ų43.944%0.4420%0.2SC..Hα-helixtrans-68.6-40.2175.8-174.861.4000112.3A1284 E1285 F1286 R1291 T1292A1284-L1288 PolarHBondContact O-N 3.36Å; A1284-L1288 VanDerWaalsContact O-N 3.12Å; E1285-L1288 PolarHBondContact O-N 3.05Å; F1286-L1288 VanDerWaalsContact C-N 3.34Å; F1286-L1288 PolarHBondContact O-N 3.24Å; L1288-R1291 PolarHBondContact O-N 2.95Å; L1288-T1292 WeakPolarHBondContact O-CG2 3.26Å; L1288-T1292 PolarHBondContact O-N 3.3Å; L1288-T1292 PolarHBondContact O-OG1 3.22Å; L1288-T1292 VanDerWaalsContact O-OG1 3.13Å
1289E96Very high95.1Very high87 Ų8743.4 Ų43.441%0.40720%0.201SC..Hα-helixtrans-66.9-40.7174.4-71.7-131.3-137.300112.1P1151 L1163 E1285 F1286 T1292 T1293P1151-E1289 WeakPolarHBondContact CB-OE2 3.42Å; P1151-E1289 HydrophobicContact CG-CB 4.44Å; P1151-E1289 HydrophobicContact CG-CG 4.39Å; P1151-E1289 WeakPolarHBondContact CG-OE1 3.49Å; P1151-E1289 VanDerWaalsContact CG-OE2 3.25Å; P1151-E1289 WeakPolarHBondContact CG-OE2 3.47Å; L1163-E1289 HydrophobicContact CD2-CB 3.76Å; E1285-E1289 PolarHBondContact O-N 2.85Å; F1286-E1289 PolarHBondContact O-N 3.38Å; E1289-T1292 PolarHBondContact O-OG1 3.14Å; E1289-T1293 VanDerWaalsContact O-CB 3.27Å; E1289-T1293 WeakPolarHBondContact O-CB 3.42Å; E1289-T1293 PolarHBondContact O-N 3.2Å; E1289-T1293 PolarHBondContact O-OG1 3.27Å
1290Y96.9Very high94.6Very high0 Ų044.4 Ų44.40%021%0.214CC..Hα-helixtrans-60.9-47.3173178.7-97000111.1T1119 I1123 L1163 C1167 V1170 L1180 F1286 T1293 R1294T1119-Y1290 HydrophobicContact CG2-CE1 4.01Å; I1123-Y1290 HydrophobicContact CD1-CD1 4.09Å; I1123-Y1290 HydrophobicContact CD1-CD2 3.65Å; I1123-Y1290 HydrophobicContact CD1-CE1 3.94Å; I1123-Y1290 HydrophobicContact CD1-CE2 3.48Å; I1123-Y1290 VanDerWaalsContact CD1-CE2 3.48Å; I1123-Y1290 HydrophobicContact CD1-CG 3.96Å; I1123-Y1290 HydrophobicContact CG1-CD2 4.21Å; I1123-Y1290 HydrophobicContact CG1-CE2 3.72Å; L1163-Y1290 HydrophobicContact CD1-CD2 4.06Å; C1167-Y1290 HydrophobicContact CB-CD2 4.28Å; C1167-Y1290 HydrophobicContact CB-CE2 3.87Å; C1167-Y1290 VanDerWaalsContact SG-CE2 3.56Å; V1170-Y1290 WeakPolarHBondContact CG1-OH 2.97Å; L1180-Y1290 HydrophobicContact CB-CD1 3.78Å; L1180-Y1290 HydrophobicContact CB-CE1 4.31Å; F1286-Y1290 HydrophobicContact CZ-CD2 4.48Å; F1286-Y1290 WeakPolarHBondContact O-CB 3.09Å; F1286-Y1290 PolarHBondContact O-N 2.86Å; Y1290-T1293 PolarHBondContact O-N 3.49Å; Y1290-R1294 HydrophobicContact CE1-CB 4.49Å; Y1290-R1294 WeakPolarHBondContact O-CB 3.32Å; Y1290-R1294 PolarHBondContact O-N 3.06Å
1291R96.2Very high94.1Very high73 Ų7349.1 Ų49.128%0.27523%0.231SC..Hα-helixtrans-53.7-58.8176.9-175.8-175.9164.1-158-16111.6D1179 H1181 A1287 L1288 T1293 R1294 E1295D1179-R1291 WeakPolarHBondContact OD1-CB 3.39Å; D1179-R1291 VanDerWaalsContact OD1-CG 3.23Å; D1179-R1291 WeakPolarHBondContact OD1-CG 3.25Å; D1179-R1291 WeakPolarHBondContact OD2-CD 3.36Å; H1181-R1291 HydrophobicContact CB-CB 4.21Å; A1287-R1291 WeakPolarHBondContact O-CB 3.44Å; A1287-R1291 PolarHBondContact O-N 3.37Å; L1288-R1291 PolarHBondContact O-N 2.95Å; R1291-T1293 PolarHBondContact O-N 2.85Å; R1291-R1294 WeakPolarHBondContact O-CB 3.16Å; R1291-R1294 PolarHBondContact O-N 3.46Å; R1291-R1294 VanDerWaalsContact O-N 3.07Å; R1291-E1295 IonicContact CZ-OE1 3.04Å; R1291-E1295 IonicContact NE-OE1 3.78Å; R1291-E1295 PolarHBondContact NE-OE1 3.36Å; R1291-E1295 IonicContact NE-OE2 2.69Å; R1291-E1295 PolarHBondContact NE-OE2 3.25Å; R1291-E1295 IonicContact NH2-OE1 2.77Å; R1291-E1295 PolarHBondContact NH2-OE1 2.9Å; R1291-E1295 IonicContact NH2-OE2 3.64Å; R1291-E1295 WeakPolarHBondContact O-CG 3.4Å; R1291-E1295 PolarHBondContact O-N 3.1Å
1292T96.2Very high93.3Very high46 Ų4650.3 Ų50.328%0.28224%0.24SC..Hα-helixtrans-67.9-20.5-175.659.20000113L1288 E1289 K1296L1288-T1292 WeakPolarHBondContact O-CG2 3.26Å; L1288-T1292 PolarHBondContact O-N 3.3Å; L1288-T1292 PolarHBondContact O-OG1 3.22Å; L1288-T1292 VanDerWaalsContact O-OG1 3.13Å; E1289-T1292 PolarHBondContact O-OG1 3.14Å; T1292-K1296 WeakPolarHBondContact O-CD 3.48Å; T1292-K1296 WeakPolarHBondContact O-CE 3.42Å; T1292-K1296 WeakPolarHBondContact O-CG 3.43Å
1293T96.3Very high92.3Very high16 Ų1655.3 Ų55.310%0.09826%0.262CS..Hα-helixtrans-78.3-42.8170.2-58.10000111.5L1163 H1164 C1167 E1289 Y1290 R1291 K1296 I1297L1163-T1293 HydrophobicContact CG-CG2 4.27Å; H1164-T1293 HydrophobicContact CB-CG2 4.08Å; C1167-T1293 HydrophobicContact CB-CG2 4.14Å; E1289-T1293 VanDerWaalsContact O-CB 3.27Å; E1289-T1293 WeakPolarHBondContact O-CB 3.42Å; E1289-T1293 PolarHBondContact O-N 3.2Å; E1289-T1293 PolarHBondContact O-OG1 3.27Å; Y1290-T1293 PolarHBondContact O-N 3.49Å; R1291-T1293 PolarHBondContact O-N 2.85Å; T1293-K1296 PolarHBondContact O-N 3.06Å; T1293-I1297 HydrophobicContact CG2-CD1 3.94Å; T1293-I1297 WeakPolarHBondContact O-CG1 3.37Å; T1293-I1297 PolarHBondContact O-N 3.36Å
1294R95.4Very high91.3Very high50 Ų5062.3 Ų62.319%0.18929%0.292CS..Hα-helixtrans-59.6-48.2176.6-171.7-176.2174.5-77.1-0.3111.5C1167 L1171 S1177 T1178 Y1290 R1291 K1296 I1297 I1298C1167-R1294 WeakPolarHBondContact SG-CA 3.05Å; C1167-R1294 VanDerWaalsContact SG-CB 3.53Å; L1171-R1294 HydrophobicContact CD1-CG 4.17Å; L1171-R1294 HydrophobicContact CD2-CG 4.05Å; L1171-R1294 HydrophobicContact CG-CG 4.4Å; S1177-R1294 PolarHBondContact O-NE 2.88Å; S1177-R1294 PolarHBondContact O-NH2 3.37Å; T1178-R1294 PolarHBondContact O-NE 3.2Å; Y1290-R1294 HydrophobicContact CE1-CB 4.49Å; Y1290-R1294 WeakPolarHBondContact O-CB 3.32Å; Y1290-R1294 PolarHBondContact O-N 3.06Å; R1291-R1294 WeakPolarHBondContact O-CB 3.16Å; R1291-R1294 PolarHBondContact O-N 3.46Å; R1291-R1294 VanDerWaalsContact O-N 3.07Å; R1294-K1296 PolarHBondContact O-N 3.26Å; R1294-I1297 PolarHBondContact O-N 3.21Å; R1294-I1298 HydrophobicContact CG-CD1 4.05Å; R1294-I1298 VanDerWaalsContact NH1-CD1 3.28Å; R1294-I1298 WeakPolarHBondContact O-CG1 3.18Å; R1294-I1298 PolarHBondContact O-N 3.35Å
1295E94.8Very high90.1Very high68 Ų6864.7 Ų64.732%0.31831%0.312SS..Hα-helixtrans-59.7-46.1178.7-70.6166.1150.600111.4R1291 I1297 I1298 E1299R1291-E1295 IonicContact CZ-OE1 3.04Å; R1291-E1295 IonicContact NE-OE1 3.78Å; R1291-E1295 PolarHBondContact NE-OE1 3.36Å; R1291-E1295 IonicContact NE-OE2 2.69Å; R1291-E1295 PolarHBondContact NE-OE2 3.25Å; R1291-E1295 IonicContact NH2-OE1 2.77Å; R1291-E1295 PolarHBondContact NH2-OE1 2.9Å; R1291-E1295 IonicContact NH2-OE2 3.64Å; R1291-E1295 WeakPolarHBondContact O-CG 3.4Å; R1291-E1295 PolarHBondContact O-N 3.1Å; E1295-I1297 VanDerWaalsContact C-N 3.34Å; E1295-I1297 PolarHBondContact O-N 3.07Å; E1295-I1298 PolarHBondContact O-N 3Å; E1295-E1299 WeakPolarHBondContact O-CB 3.19Å; E1295-E1299 PolarHBondContact O-N 3.5Å
1296K94Very high88.7Confident137 Ų13765.6 Ų65.660%0.59632%0.319SS*.Hα-helixtrans-63.9-34.1176.1-70.8167.8-166.8157.80113.6T1292 T1293 R1294 G1300T1292-K1296 WeakPolarHBondContact O-CD 3.48Å; T1292-K1296 WeakPolarHBondContact O-CE 3.42Å; T1292-K1296 WeakPolarHBondContact O-CG 3.43Å; T1293-K1296 PolarHBondContact O-N 3.06Å; R1294-K1296 PolarHBondContact O-N 3.26Å; K1296-G1300 PolarHBondContact O-N 3.15Å
1297I93.7Very high87.3Confident10 Ų1067.9 Ų67.95%0.05134%0.338CS..Hα-helixtrans-70-42.4176.1-69.8164.6000110.5H1164 C1167 L1171 T1293 R1294 E1295 R1301H1164-I1297 WeakPolarHBondContact O-CD1 3.49Å; C1167-I1297 HydrophobicContact CB-CD1 3.75Å; L1171-I1297 HydrophobicContact CD1-CB 4.09Å; L1171-I1297 HydrophobicContact CD1-CG2 3.64Å; T1293-I1297 HydrophobicContact CG2-CD1 3.94Å; T1293-I1297 WeakPolarHBondContact O-CG1 3.37Å; T1293-I1297 PolarHBondContact O-N 3.36Å; R1294-I1297 PolarHBondContact O-N 3.21Å; E1295-I1297 VanDerWaalsContact C-N 3.34Å; E1295-I1297 PolarHBondContact O-N 3.07Å; I1297-R1301 WeakPolarHBondContact O-CB 3.23Å; I1297-R1301 WeakPolarHBondContact O-CG 3.27Å; I1297-R1301 PolarHBondContact O-N 2.98Å
1298I91.2Very high85.9Confident45 Ų4577 Ų7723%0.23137%0.373CS..Hα-helixtrans-64.9-53.7177.4-67.8168.1000110.1L1171 R1294 E1295 G1300 R1301 E1302L1171-I1298 HydrophobicContact CD1-CG1 4.08Å; L1171-I1298 HydrophobicContact CD2-CD1 4.17Å; L1171-I1298 HydrophobicContact CD2-CG1 4.4Å; R1294-I1298 HydrophobicContact CG-CD1 4.05Å; R1294-I1298 VanDerWaalsContact NH1-CD1 3.28Å; R1294-I1298 WeakPolarHBondContact O-CG1 3.18Å; R1294-I1298 PolarHBondContact O-N 3.35Å; E1295-I1298 PolarHBondContact O-N 3Å; I1298-G1300 VanDerWaalsContact C-N 3.27Å; I1298-G1300 PolarHBondContact O-N 3.45Å; I1298-R1301 WeakPolarHBondContact O-CA 2.98Å; I1298-R1301 WeakPolarHBondContact O-CB 3.33Å; I1298-R1301 PolarHBondContact O-N 3.44Å; I1298-E1302 HydrophobicContact CG2-CG 4.34Å; I1298-E1302 WeakPolarHBondContact CG2-OE1 3.3Å; I1298-E1302 WeakPolarHBondContact O-CG 3.27Å; I1298-E1302 PolarHBondContact O-N 3.14Å
1299E88.7Confident84.4Confident95 Ų9576.5 Ų76.544%0.44437%0.368SS..Hα-helixtrans-58.4-39.1178.3-166-155.3-159.500111.7E1295 E1302 K1303E1295-E1299 WeakPolarHBondContact O-CB 3.19Å; E1295-E1299 PolarHBondContact O-N 3.5Å; E1299-E1302 PolarHBondContact O-N 2.93Å; E1299-K1303 HydrophobicContact CG-CD 4.22Å; E1299-K1303 WeakPolarHBondContact O-CB 3.25Å; E1299-K1303 VanDerWaalsContact O-CG 3.31Å; E1299-K1303 WeakPolarHBondContact O-CG 2.99Å; E1299-K1303 PolarHBondContact O-N 3.09Å; E1299-K1303 VanDerWaalsContact OE1-CE 3.27Å; E1299-K1303 WeakPolarHBondContact OE1-CE 3.27Å; E1299-K1303 IonicContact OE1-NZ 2.77Å; E1299-K1303 PolarHBondContact OE1-NZ 3.09Å; E1299-K1303 IonicContact OE2-NZ 2.77Å; E1299-K1303 PolarHBondContact OE2-NZ 2.89Å; E1299-K1303 VanDerWaalsContact OE2-NZ 3.12Å
1300G84.3Confident82.7Confident29 Ų2979.4 Ų79.430%0.29938%0.375SS..Hα-helixtrans-68.5-29.5175.700000114.1K1296 I1298 K1304K1296-G1300 PolarHBondContact O-N 3.15Å; I1298-G1300 VanDerWaalsContact C-N 3.27Å; I1298-G1300 PolarHBondContact O-N 3.45Å; G1300-K1304 VanDerWaalsContact O-CG 3.31Å; G1300-K1304 WeakPolarHBondContact O-CG 2.92Å; G1300-K1304 PolarHBondContact O-N 3.32Å
1301R85.2Confident81.3Confident100 Ų10084.5 Ų84.538%0.37740%0.397SS..Hα-helixtrans-75.9-45.4172-75167.6178.2-132.9-3.6110.9S1168 D1172 I1297 I1298 K1304 A1305S1168-R1301 PolarHBondContact OG-NH2 2.98Å; D1172-R1301 IonicContact OD1-CZ 3.29Å; D1172-R1301 IonicContact OD1-NH1 2.65Å; D1172-R1301 PolarHBondContact OD1-NH1 2.61Å; D1172-R1301 IonicContact OD1-NH2 3.65Å; D1172-R1301 PolarHBondContact OD1-NH2 3.25Å; D1172-R1301 IonicContact OD2-CZ 3.1Å; D1172-R1301 IonicContact OD2-NH2 2.62Å; D1172-R1301 PolarHBondContact OD2-NH2 2.94Å; I1297-R1301 WeakPolarHBondContact O-CB 3.23Å; I1297-R1301 WeakPolarHBondContact O-CG 3.27Å; I1297-R1301 PolarHBondContact O-N 2.98Å; I1298-R1301 WeakPolarHBondContact O-CA 2.98Å; I1298-R1301 WeakPolarHBondContact O-CB 3.33Å; I1298-R1301 PolarHBondContact O-N 3.44Å; R1301-K1304 CarbonylContact O-C 3.55Å; R1301-K1304 PolarHBondContact O-N 3.29Å; R1301-A1305 WeakPolarHBondContact O-CB 3.16Å; R1301-A1305 PolarHBondContact O-N 3.3Å
1302E78.4Confident79.8Confident110 Ų11085.2 Ų85.251%0.51440%0.4SS..Hα-helixtrans-60.5-47.3177.2-72.2171.717400111.6I1298 E1299 K1304 A1305 L1306I1298-E1302 HydrophobicContact CG2-CG 4.34Å; I1298-E1302 WeakPolarHBondContact CG2-OE1 3.3Å; I1298-E1302 WeakPolarHBondContact O-CG 3.27Å; I1298-E1302 PolarHBondContact O-N 3.14Å; E1299-E1302 PolarHBondContact O-N 2.93Å; E1302-K1304 VanDerWaalsContact C-N 3.28Å; E1302-K1304 PolarHBondContact O-N 2.63Å; E1302-A1305 PolarHBondContact O-N 3.17Å; E1302-A1305 VanDerWaalsContact O-N 3.15Å; E1302-L1306 WeakPolarHBondContact O-CB 3.44Å; E1302-L1306 WeakPolarHBondContact O-CG 3.46Å; E1302-L1306 PolarHBondContact O-N 3.15Å
1303K75.4Confident78.4Confident116 Ų11683.8 Ų83.850%0.50439%0.391SS..Hα-helixtrans-59.1-38175-75.6171.9179.8168.70112.5E1299 A1307E1299-K1303 HydrophobicContact CG-CD 4.22Å; E1299-K1303 WeakPolarHBondContact O-CB 3.25Å; E1299-K1303 VanDerWaalsContact O-CG 3.31Å; E1299-K1303 WeakPolarHBondContact O-CG 2.99Å; E1299-K1303 PolarHBondContact O-N 3.09Å; E1299-K1303 VanDerWaalsContact OE1-CE 3.27Å; E1299-K1303 WeakPolarHBondContact OE1-CE 3.27Å; E1299-K1303 IonicContact OE1-NZ 2.77Å; E1299-K1303 PolarHBondContact OE1-NZ 3.09Å; E1299-K1303 IonicContact OE2-NZ 2.77Å; E1299-K1303 PolarHBondContact OE2-NZ 2.89Å; E1299-K1303 VanDerWaalsContact OE2-NZ 3.12Å; K1303-A1307 VanDerWaalsContact O-CB 3.26Å; K1303-A1307 WeakPolarHBondContact O-CB 3.06Å; K1303-A1307 PolarHBondContact O-N 2.85Å
1304K74.7Confident77Confident149 Ų14985.7 Ų85.765%0.64840%0.397SS*.Hα-helixtrans-72.9-36.5174.9-74.5179.6179.7-172.50112.7G1300 R1301 E1302 R1308G1300-K1304 VanDerWaalsContact O-CG 3.31Å; G1300-K1304 WeakPolarHBondContact O-CG 2.92Å; G1300-K1304 PolarHBondContact O-N 3.32Å; R1301-K1304 CarbonylContact O-C 3.55Å; R1301-K1304 PolarHBondContact O-N 3.29Å; E1302-K1304 VanDerWaalsContact C-N 3.28Å; E1302-K1304 PolarHBondContact O-N 2.63Å; K1304-R1308 WeakPolarHBondContact O-CB 3.43Å; K1304-R1308 VanDerWaalsContact O-CG 3.31Å; K1304-R1308 WeakPolarHBondContact O-CG 3.47Å; K1304-R1308 PolarHBondContact O-N 3.48Å
1305A69.5Low75.5Confident58 Ų5883.5 Ų83.548%0.47939%0.389SS..Hα-helixtrans-66.3-45.9174.900000111.1R1301 E1302 R1308 E1309R1301-A1305 WeakPolarHBondContact O-CB 3.16Å; R1301-A1305 PolarHBondContact O-N 3.3Å; E1302-A1305 PolarHBondContact O-N 3.17Å; E1302-A1305 VanDerWaalsContact O-N 3.15Å; A1305-R1308 PolarHBondContact O-N 2.62Å; A1305-E1309 WeakPolarHBondContact O-CB 3.31Å; A1305-E1309 PolarHBondContact O-N 3.2Å
1306L66.6Low74.4Confident101 Ų10183.4 Ų83.453%0.52939%0.388SS..Hα-helixtrans-64.2-38.7174.4-69.9170.1000112.2E1302 R1310E1302-L1306 WeakPolarHBondContact O-CB 3.44Å; E1302-L1306 WeakPolarHBondContact O-CG 3.46Å; E1302-L1306 PolarHBondContact O-N 3.15Å; L1306-R1310 VanDerWaalsContact O-CB 3.27Å; L1306-R1310 WeakPolarHBondContact O-CB 3.44Å; L1306-R1310 WeakPolarHBondContact O-CD 3.5Å; L1306-R1310 WeakPolarHBondContact O-CG 3.37Å; L1306-R1310 PolarHBondContact O-N 2.98Å
1307A68.2Low73.4Confident51 Ų5179.7 Ų79.742%0.42137%0.374SS..Hα-helixtrans-65.2-41.3174.300000112.2K1303 K1311K1303-A1307 VanDerWaalsContact O-CB 3.26Å; K1303-A1307 WeakPolarHBondContact O-CB 3.06Å; K1303-A1307 PolarHBondContact O-N 2.85Å; A1307-K1311 WeakPolarHBondContact O-CG 3.4Å; A1307-K1311 PolarHBondContact O-N 2.73Å
1308R67Low72.3Confident191 Ų19180.4 Ų80.472%0.72138%0.378SS*.Hα-helixtrans-66-44.5173.9-77.4172.5170.4-176.4-7.3112.1K1304 A1305 K1311 R1312K1304-R1308 WeakPolarHBondContact O-CB 3.43Å; K1304-R1308 VanDerWaalsContact O-CG 3.31Å; K1304-R1308 WeakPolarHBondContact O-CG 3.47Å; K1304-R1308 PolarHBondContact O-N 3.48Å; A1305-R1308 PolarHBondContact O-N 2.62Å; R1308-K1311 CarbonylContact O-C 3.6Å; R1308-K1311 WeakPolarHBondContact O-CB 3.44Å; R1308-K1311 PolarHBondContact O-N 3.48Å; R1308-R1312 WeakPolarHBondContact O-CB 3.42Å; R1308-R1312 PolarHBondContact O-N 3.4Å
1309E62.9Low70.9Confident74 Ų7481.8 Ų81.835%0.34639%0.388SS..Hα-helixtrans-67.3-40.8-179.8-16959.1-161.200111.1A1305 K1311 R1312 T1313A1305-E1309 WeakPolarHBondContact O-CB 3.31Å; A1305-E1309 PolarHBondContact O-N 3.2Å; E1309-K1311 VanDerWaalsContact C-N 3.33Å; E1309-K1311 PolarHBondContact O-N 3.3Å; E1309-R1312 VanDerWaalsContact CD-NE 3.32Å; E1309-R1312 CarbonylContact O-C 3.54Å; E1309-R1312 WeakPolarHBondContact O-CA 3.45Å; E1309-R1312 WeakPolarHBondContact O-CB 3.45Å; E1309-R1312 PolarHBondContact O-N 3.21Å; E1309-R1312 IonicContact OE1-CZ 2.83Å; E1309-R1312 VanDerWaalsContact OE1-CZ 3.31Å; E1309-R1312 IonicContact OE1-NE 3.15Å; E1309-R1312 PolarHBondContact OE1-NE 3.09Å; E1309-R1312 VanDerWaalsContact OE1-NE 3.1Å; E1309-R1312 IonicContact OE1-NH2 3.68Å; E1309-R1312 PolarHBondContact OE1-NH2 3.16Å; E1309-R1312 IonicContact OE2-CZ 3.04Å; E1309-R1312 IonicContact OE2-NE 3.23Å; E1309-R1312 PolarHBondContact OE2-NE 3.32Å; E1309-R1312 IonicContact OE2-NH2 2.73Å; E1309-T1313 HydrophobicContact CG-CG2 4.37Å; E1309-T1313 WeakPolarHBondContact O-CG2 3.36Å; E1309-T1313 PolarHBondContact O-N 2.7Å; E1309-T1313 PolarHBondContact O-OG1 3.05Å; E1309-T1313 VanDerWaalsContact O-OG1 3.11Å
1310R61Low69.5Low149 Ų14981 Ų8156%0.56239%0.387SS*.Hα-helixtrans-58.2-42.3170.5-74.2168.1179.7-167.8-4.3112.2L1306 R1312 T1313 R1314L1306-R1310 VanDerWaalsContact O-CB 3.27Å; L1306-R1310 WeakPolarHBondContact O-CB 3.44Å; L1306-R1310 WeakPolarHBondContact O-CD 3.5Å; L1306-R1310 WeakPolarHBondContact O-CG 3.37Å; L1306-R1310 PolarHBondContact O-N 2.98Å; R1310-R1312 VanDerWaalsContact C-N 3.34Å; R1310-T1313 PolarHBondContact O-OG1 2.83Å; R1310-R1314 WeakPolarHBondContact O-CB 3.48Å; R1310-R1314 PolarHBondContact O-N 3.36Å; R1310-R1314 VanDerWaalsContact O-N 3.08Å
1311K67.5Low68Low106 Ų10680.8 Ų80.846%0.46138%0.379SS..Hα-helixtrans-63.4-37.7170.8-75.3-174.1175.6-168.60112D53 A1307 R1308 E1309 R1314D53-K1311 IonicContact OD2-NZ 3.93Å; D53-K1311 PolarHBondContact OD2-NZ 3.01Å; A1307-K1311 WeakPolarHBondContact O-CG 3.4Å; A1307-K1311 PolarHBondContact O-N 2.73Å; R1308-K1311 CarbonylContact O-C 3.6Å; R1308-K1311 WeakPolarHBondContact O-CB 3.44Å; R1308-K1311 PolarHBondContact O-N 3.48Å; E1309-K1311 VanDerWaalsContact C-N 3.33Å; E1309-K1311 PolarHBondContact O-N 3.3Å; K1311-R1314 WeakPolarHBondContact O-CB 3.39Å; K1311-R1314 PolarHBondContact O-N 2.93Å
1312R65.5Low66.3Low89 Ų8980.2 Ų80.234%0.33638%0.383SS..Hα-helixtrans-72.5-32.1-179.3-164.3-178.778.2108.92.3113.4R1308 E1309 R1310 K1316R1308-R1312 WeakPolarHBondContact O-CB 3.42Å; R1308-R1312 PolarHBondContact O-N 3.4Å; E1309-R1312 VanDerWaalsContact CD-NE 3.32Å; E1309-R1312 CarbonylContact O-C 3.54Å; E1309-R1312 WeakPolarHBondContact O-CA 3.45Å; E1309-R1312 WeakPolarHBondContact O-CB 3.45Å; E1309-R1312 PolarHBondContact O-N 3.21Å; E1309-R1312 IonicContact OE1-CZ 2.83Å; E1309-R1312 VanDerWaalsContact OE1-CZ 3.31Å; E1309-R1312 IonicContact OE1-NE 3.15Å; E1309-R1312 PolarHBondContact OE1-NE 3.09Å; E1309-R1312 VanDerWaalsContact OE1-NE 3.1Å; E1309-R1312 IonicContact OE1-NH2 3.68Å; E1309-R1312 PolarHBondContact OE1-NH2 3.16Å; E1309-R1312 IonicContact OE2-CZ 3.04Å; E1309-R1312 IonicContact OE2-NE 3.23Å; E1309-R1312 PolarHBondContact OE2-NE 3.32Å; E1309-R1312 IonicContact OE2-NH2 2.73Å; R1310-R1312 VanDerWaalsContact C-N 3.34Å; R1312-K1316 VanDerWaalsContact O-CD 3.23Å; R1312-K1316 WeakPolarHBondContact O-CD 3.49Å; R1312-K1316 WeakPolarHBondContact O-CE 3.36Å; R1312-K1316 PolarHBondContact O-NZ 2.69Å
1313T66.7Low64.8Low15 Ų1578.6 Ų78.69%0.09238%0.381CS..Hα-helixtrans-89.3-11.7176.2580000113.3V156 E1309 R1310 G1315 K1316 L1321V156-T1313 HydrophobicContact CG1-CG2 4.25Å; E1309-T1313 HydrophobicContact CG-CG2 4.37Å; E1309-T1313 WeakPolarHBondContact O-CG2 3.36Å; E1309-T1313 PolarHBondContact O-N 2.7Å; E1309-T1313 PolarHBondContact O-OG1 3.05Å; E1309-T1313 VanDerWaalsContact O-OG1 3.11Å; R1310-T1313 PolarHBondContact O-OG1 2.83Å; T1313-G1315 PolarHBondContact O-N 2.97Å; T1313-K1316 WeakPolarHBondContact O-CB 3.46Å; T1313-K1316 PolarHBondContact O-N 2.73Å; T1313-L1321 HydrophobicContact CG2-CD1 4.37Å
1314R65.9Low63.2Low57 Ų5775.4 Ų75.422%0.21537%0.369CS..THydrogen-bonded Turntrans-56119.6-169.7-158.3177.2159.6115.39.2111.7D116 H119 E120 D157 R1310 K1311 K1316D116-R1314 PolarHBondContact O-NH2 2.81Å; D116-R1314 WeakPolarHBondContact OD1-CD 3.38Å; D116-R1314 VanDerWaalsContact OD1-CG 3.28Å; D116-R1314 WeakPolarHBondContact OD1-CG 3.33Å; D116-R1314 IonicContact OD1-CZ 2.75Å; D116-R1314 IonicContact OD1-NE 3.6Å; D116-R1314 PolarHBondContact OD1-NE 3.37Å; H119-R1314 HydrophobicContact CB-CG 4.36Å; E120-R1314 IonicContact OE1-CZ 3.02Å; E120-R1314 VanDerWaalsContact OE1-CZ 3.23Å; E120-R1314 IonicContact OE1-NH1 2.63Å; E120-R1314 PolarHBondContact OE1-NH1 3.11Å; E120-R1314 IonicContact OE1-NH2 3.68Å; E120-R1314 PolarHBondContact OE1-NH2 2.8Å; D157-R1314 VanDerWaalsContact OD2-CA 3.25Å; D157-R1314 WeakPolarHBondContact OD2-CA 3.41Å; R1310-R1314 WeakPolarHBondContact O-CB 3.48Å; R1310-R1314 PolarHBondContact O-N 3.36Å; R1310-R1314 VanDerWaalsContact O-N 3.08Å; K1311-R1314 WeakPolarHBondContact O-CB 3.39Å; K1311-R1314 PolarHBondContact O-N 2.93Å; R1314-K1316 PolarHBondContact O-N 2.63Å; R1314-K1316 VanDerWaalsContact O-N 3.13Å
1315G64.2Low61.9Low3 Ų373.8 Ų73.83%0.03137%0.365CS..THydrogen-bonded Turntrans60.818.4-179.600000114.9K115 Y155 D157 T1313K115-G1315 WeakPolarHBondContact CB-O 3.4Å; K115-G1315 WeakPolarHBondContact CD-O 3.23Å; Y155-G1315 VanDerWaalsContact CD1-O 3.26Å; Y155-G1315 WeakPolarHBondContact CD1-O 3.24Å; Y155-G1315 WeakPolarHBondContact CE1-O 3.45Å; D157-G1315 PolarHBondContact OD2-N 3.23Å; T1313-G1315 PolarHBondContact O-N 2.97Å
1316K72.7Confident60.8Low66 Ų6677.8 Ų77.829%0.28737%0.374SS..  trans-81.9142.7173.4-71-168.5174.7158.80111.5Y155 V156 R1312 T1313 R1314 L1321Y155-K1316 VanDerWaalsContact CA-O 3.3Å; Y155-K1316 WeakPolarHBondContact CA-O 3.43Å; V156-K1316 PolarHBondContact N-O 3.3Å; R1312-K1316 VanDerWaalsContact O-CD 3.23Å; R1312-K1316 WeakPolarHBondContact O-CD 3.49Å; R1312-K1316 WeakPolarHBondContact O-CE 3.36Å; R1312-K1316 PolarHBondContact O-NZ 2.69Å; T1313-K1316 WeakPolarHBondContact O-CB 3.46Å; T1313-K1316 PolarHBondContact O-N 2.73Å; R1314-K1316 PolarHBondContact O-N 2.63Å; R1314-K1316 VanDerWaalsContact O-N 3.13Å; K1316-L1321 HydrophobicContact CD-CD1 4.44Å
1317L72.3Confident59.6Low60 Ų6077.6 Ų77.631%0.31437%0.373SS..BIsolated β-bridgetrans-72.5145.2172.7-63.2169.3000109.4L154 Y155 V1319 D1320 L1321L154-L1317 HydrophobicContact CB-CD2 4.07Å; L154-L1317 WeakPolarHBondContact O-CA 3.32Å; Y155-L1317 HydrophobicContact CD1-CD2 3.77Å; Y155-L1317 HydrophobicContact CD1-CG 4.35Å; Y155-L1317 HydrophobicContact CE1-CD2 3.49Å; Y155-L1317 VanDerWaalsContact CE1-CD2 3.49Å; Y155-L1317 HydrophobicContact CE1-CG 4.1Å; Y155-L1317 HydrophobicContact CG-CD2 4.42Å; L1317-V1319 PolarHBondContact O-N 2.89Å; L1317-D1320 PolarHBondContact O-N 3.41Å; L1317-L1321 PolarHBondContact O-N 2.86Å
1318I69.7Low58.2Low25 Ų2579.6 Ų79.613%0.12837%0.374CS..Hα-helixtrans-62-33.3179.4-66.3164.4000111.1M153 L154 V156 M159 Y197 D1320 L1321 N1322M153-I1318 WeakPolarHBondContact O-CD1 3.48Å; L154-I1318 WeakPolarHBondContact O-CG1 3.43Å; L154-I1318 PolarHBondContact O-N 3.1Å; V156-I1318 HydrophobicContact CG2-CG1 4.08Å; M159-I1318 HydrophobicContact CB-CD1 3.87Å; M159-I1318 HydrophobicContact CG-CD1 4.13Å; Y197-I1318 HydrophobicContact CD2-CD1 3.81Å; Y197-I1318 HydrophobicContact CD2-CG1 4.33Å; Y197-I1318 HydrophobicContact CD2-CG2 3.89Å; Y197-I1318 HydrophobicContact CE2-CB 4.4Å; Y197-I1318 HydrophobicContact CE2-CD1 3.64Å; Y197-I1318 HydrophobicContact CE2-CG1 3.77Å; Y197-I1318 HydrophobicContact CE2-CG2 3.74Å; I1318-D1320 PolarHBondContact O-N 3.06Å; I1318-L1321 WeakPolarHBondContact O-CB 3.31Å; I1318-L1321 PolarHBondContact O-N 3.22Å; I1318-L1321 VanDerWaalsContact O-N 3.15Å; I1318-N1322 PolarHBondContact O-N 3.25Å; I1318-N1322 VanDerWaalsContact O-N 3.12Å
1319V63.6Low56.8Low74 Ų7473.5 Ų73.545%0.44836%0.361SS..Hα-helixtrans-61.4-44.2178.8-159.10000111.3L1317 L1321 N1322 T1323L1317-V1319 PolarHBondContact O-N 2.89Å; V1319-L1321 VanDerWaalsContact C-N 3.27Å; V1319-L1321 PolarHBondContact O-N 2.72Å; V1319-N1322 PolarHBondContact O-N 3.26Å; V1319-T1323 PolarHBondContact O-N 3.28Å; V1319-T1323 PolarHBondContact O-OG1 2.82Å
1320D58.9Low55.6Low77 Ų7776.2 Ų76.241%0.41237%0.373SS..Hα-helixtrans-63.2-36.6176.2-52.5-31000111.3L1317 I1318 T1323 I1324L1317-D1320 PolarHBondContact O-N 3.41Å; I1318-D1320 PolarHBondContact O-N 3.06Å; D1320-T1323 PolarHBondContact O-N 2.91Å; D1320-I1324 VanDerWaalsContact O-CG1 3.27Å; D1320-I1324 WeakPolarHBondContact O-CG1 3.29Å; D1320-I1324 PolarHBondContact O-N 3.45Å
1321L52.6Low54.6Low25 Ų2573.1 Ų73.113%0.13137%0.37CS..Hα-helixtrans-68.5-39.5-178.1-137.882.1000111.8V156 T1313 K1316 L1317 I1318 V1319 I1324 M1325V156-L1321 HydrophobicContact CG2-CB 4.44Å; V156-L1321 HydrophobicContact CG2-CD1 4.33Å; V156-L1321 HydrophobicContact CG2-CD2 3.96Å; V156-L1321 HydrophobicContact CG2-CG 4.48Å; T1313-L1321 HydrophobicContact CG2-CD1 4.37Å; K1316-L1321 HydrophobicContact CD-CD1 4.44Å; L1317-L1321 PolarHBondContact O-N 2.86Å; I1318-L1321 WeakPolarHBondContact O-CB 3.31Å; I1318-L1321 PolarHBondContact O-N 3.22Å; I1318-L1321 VanDerWaalsContact O-N 3.15Å; V1319-L1321 VanDerWaalsContact C-N 3.27Å; V1319-L1321 PolarHBondContact O-N 2.72Å; L1321-I1324 PolarHBondContact O-N 3.06Å; L1321-M1325 WeakPolarHBondContact O-CB 3.33Å; L1321-M1325 VanDerWaalsContact O-CG 3.3Å; L1321-M1325 WeakPolarHBondContact O-CG 3.39Å; L1321-M1325 PolarHBondContact O-N 3.43Å
1322N48.8Very low53.2Low88 Ų8872.9 Ų72.947%0.47138%0.378SS..Hα-helixtrans-59.6-47.2174.2-71.2-9.1000111I1318 V1319 I1324 M1325 E1326I1318-N1322 PolarHBondContact O-N 3.25Å; I1318-N1322 VanDerWaalsContact O-N 3.12Å; V1319-N1322 PolarHBondContact O-N 3.26Å; N1322-I1324 VanDerWaalsContact C-N 3.31Å; N1322-I1324 PolarHBondContact O-N 3.3Å; N1322-M1325 PolarHBondContact O-N 2.76Å; N1322-M1325 VanDerWaalsContact O-N 3.12Å; N1322-E1326 PolarHBondContact O-N 3.01Å
1323T47.9Very low51.8Low77 Ų7775.1 Ų75.147%0.47239%0.392SS..Hα-helixtrans-59.6-39.9174.9-50.60000112.3V1319 D1320 L1327V1319-T1323 PolarHBondContact O-N 3.28Å; V1319-T1323 PolarHBondContact O-OG1 2.82Å; D1320-T1323 PolarHBondContact O-N 2.91Å; T1323-L1327 HydrophobicContact CG2-CD1 4.44Å; T1323-L1327 WeakPolarHBondContact O-CG 3.34Å; T1323-L1327 PolarHBondContact O-N 3.45Å
1324I40.7Very low50.3Low49 Ų4978 Ų7825%0.25142%0.417SS..Hα-helixtrans-68.7-34.7175.9-70.6165.4000111.7D1320 L1321 N1322 L1327 Q1328D1320-I1324 VanDerWaalsContact O-CG1 3.27Å; D1320-I1324 WeakPolarHBondContact O-CG1 3.29Å; D1320-I1324 PolarHBondContact O-N 3.45Å; L1321-I1324 PolarHBondContact O-N 3.06Å; N1322-I1324 VanDerWaalsContact C-N 3.31Å; N1322-I1324 PolarHBondContact O-N 3.3Å; I1324-L1327 PolarHBondContact O-N 3.28Å; I1324-Q1328 HydrophobicContact CG2-CG 4.42Å; I1324-Q1328 WeakPolarHBondContact O-CB 3.22Å; I1324-Q1328 VanDerWaalsContact O-CG 3.32Å; I1324-Q1328 WeakPolarHBondContact O-CG 3.33Å; I1324-Q1328 PolarHBondContact O-N 2.98Å
1325M46.9Very low48.6Very low114 Ų11483.6 Ų83.656%0.56244%0.443SS*.Hα-helixtrans-73.6-34.4179.4-72.5-179.175.500112.5L1321 N1322 Q1328 S1329L1321-M1325 WeakPolarHBondContact O-CB 3.33Å; L1321-M1325 VanDerWaalsContact O-CG 3.3Å; L1321-M1325 WeakPolarHBondContact O-CG 3.39Å; L1321-M1325 PolarHBondContact O-N 3.43Å; N1322-M1325 PolarHBondContact O-N 2.76Å; N1322-M1325 VanDerWaalsContact O-N 3.12Å; M1325-Q1328 PolarHBondContact O-N 2.92Å; M1325-S1329 PolarHBondContact O-N 3.21Å
1326E46.9Very low47Very low142 Ų14288.8 Ų88.866%0.66448%0.475SS*.Hα-helixtrans-62.4-48.6168.2-71-172.7121.300111.2N1322 Q1328 S1329 E1330N1322-E1326 PolarHBondContact O-N 3.01Å; E1326-Q1328 VanDerWaalsContact C-N 3.28Å; E1326-Q1328 PolarHBondContact O-N 3.21Å; E1326-S1329 WeakPolarHBondContact O-CB 3.37Å; E1326-S1329 PolarHBondContact O-N 2.99Å; E1326-E1330 PolarHBondContact O-N 3.25Å
1327L42.1Very low44.9Very low98 Ų9891.2 Ų91.251%0.51349%0.494SS..Hα-helixtrans-61.1-33.9175.8-69.9168.4000112.9T1323 I1324 V1331T1323-L1327 HydrophobicContact CG2-CD1 4.44Å; T1323-L1327 WeakPolarHBondContact O-CG 3.34Å; T1323-L1327 PolarHBondContact O-N 3.45Å; I1324-L1327 PolarHBondContact O-N 3.28Å; L1327-V1331 WeakPolarHBondContact O-CG2 3.48Å; L1327-V1331 PolarHBondContact O-N 3.17Å
1328Q38.7Very low42.7Very low92 Ų9295.4 Ų95.443%0.4352%0.523SS..Hα-helixtrans-72.2-29.6174.1-76.2-174.7-26.500112.8I1324 M1325 E1326 V1331 V1332I1324-Q1328 HydrophobicContact CG2-CG 4.42Å; I1324-Q1328 WeakPolarHBondContact O-CB 3.22Å; I1324-Q1328 VanDerWaalsContact O-CG 3.32Å; I1324-Q1328 WeakPolarHBondContact O-CG 3.33Å; I1324-Q1328 PolarHBondContact O-N 2.98Å; M1325-Q1328 PolarHBondContact O-N 2.92Å; E1326-Q1328 VanDerWaalsContact C-N 3.28Å; E1326-Q1328 PolarHBondContact O-N 3.21Å; Q1328-V1331 PolarHBondContact O-N 2.65Å; Q1328-V1332 WeakPolarHBondContact O-CG2 3.37Å; Q1328-V1332 PolarHBondContact O-N 2.78Å; Q1328-V1332 VanDerWaalsContact O-N 3.16Å
1329S36.4Very low40.7Very low64 Ų6497 Ų9745%0.44855%0.545SS..Hα-helixtrans-61.1-44.5172.4-169.30000111.6M1325 E1326 V1331 V1332 Q1333M1325-S1329 PolarHBondContact O-N 3.21Å; E1326-S1329 WeakPolarHBondContact O-CB 3.37Å; E1326-S1329 PolarHBondContact O-N 2.99Å; S1329-V1331 PolarHBondContact O-N 3.4Å; S1329-V1332 PolarHBondContact O-N 3.18Å; S1329-Q1333 PolarHBondContact O-N 3.47Å
1330E37.7Very low39.1Very low131 Ų131101.9 Ų101.961%0.61257%0.568SS**Hα-helixtrans-62.5-42.1176.3-61.8-164.3129.500112.4E1326 V1332 Q1333 A1334E1326-E1330 PolarHBondContact O-N 3.25Å; E1330-V1332 VanDerWaalsContact C-N 3.29Å; E1330-V1332 PolarHBondContact O-N 3.16Å; E1330-Q1333 PolarHBondContact O-N 3.05Å; E1330-Q1333 VanDerWaalsContact O-N 3.16Å; E1330-A1334 PolarHBondContact O-N 3.31Å
1331V40.6Very low37.5Very low83 Ų83109 Ų10950%0.50359%0.589SS.*Hα-helixtrans-66-29.3179.3173.80000112.6L1327 Q1328 S1329L1327-V1331 WeakPolarHBondContact O-CG2 3.48Å; L1327-V1331 PolarHBondContact O-N 3.17Å; Q1328-V1331 PolarHBondContact O-N 2.65Å; S1329-V1331 PolarHBondContact O-N 3.4Å
1332V38.7Very low36.3Very low102 Ų102115.2 Ų115.262%0.61862%0.622SS**Hα-helixtrans-70.5-41.3172.5172.10000111Q1328 S1329 E1330 K1335 T1336Q1328-V1332 WeakPolarHBondContact O-CG2 3.37Å; Q1328-V1332 PolarHBondContact O-N 2.78Å; Q1328-V1332 VanDerWaalsContact O-N 3.16Å; S1329-V1332 PolarHBondContact O-N 3.18Å; E1330-V1332 VanDerWaalsContact C-N 3.29Å; E1330-V1332 PolarHBondContact O-N 3.16Å; V1332-K1335 PolarHBondContact O-N 3.05Å; V1332-T1336 PolarHBondContact O-OG1 3Å
1333Q35.5Very low35.2Very low135 Ų135115.8 Ų115.863%0.63164%0.639SS**Hα-helixtrans-64-42.4174.7-63.8-172.644.100111.6S1329 E1330 K1335 T1336S1329-Q1333 PolarHBondContact O-N 3.47Å; E1330-Q1333 PolarHBondContact O-N 3.05Å; E1330-Q1333 VanDerWaalsContact O-N 3.16Å; Q1333-K1335 PolarHBondContact O-N 3.3Å; Q1333-K1335 VanDerWaalsContact O-N 3.15Å; Q1333-T1336 PolarHBondContact O-N 2.96Å
1334A34.9Very low34.6Very low75 Ų75117.7 Ų117.762%0.6265%0.653SS**Hα-helixtrans-58.6-27.4-179.500000114.6E1330 T1336E1330-A1334 PolarHBondContact O-N 3.31Å; A1334-T1336 VanDerWaalsContact C-N 3.35Å
1335K31.5Very low33.9Very low176 Ų176121.9 Ų121.977%0.76568%0.676SS**THydrogen-bonded Turntrans-82.5-5.9178.2-77.6179.7176.8173.60114.8V1332 Q1333V1332-K1335 PolarHBondContact O-N 3.05Å; Q1333-K1335 PolarHBondContact O-N 3.3Å; Q1333-K1335 VanDerWaalsContact O-N 3.15Å
1336T29.9Very low33.1Very low112 Ų112123.1 Ų123.169%0.68769%0.685SS**THydrogen-bonded Turntrans-101.5-2.9-171.9-38.70000113.5V1332 Q1333 A1334V1332-T1336 PolarHBondContact O-OG1 3Å; Q1333-T1336 PolarHBondContact O-N 2.96Å; A1334-T1336 VanDerWaalsContact C-N 3.35Å
1337V28.2Very low32.1Very low116 Ų116124.4 Ų124.470%0.70370%0.695SS**  trans-130.679.3-174.9-168.20000112.9
1338T26.9Very low31.5Very low148 Ų148126 Ų12691%0.90871%0.709SS**  trans-114.860.8162.341.90000110.6
1339G27Very low31.2Very low58 Ų58129.1 Ų129.160%0.59872%0.724SS**SBendtrans-152.391.3-173.800000115.4
1340L30.3Very low31Very low178 Ų178132 Ų13293%0.93274%0.744SS**  trans63.2110.6158.5-66.7165.3000119.8
1341R24.9Very low30.7Very low226 Ų226133.1 Ų133.185%0.85375%0.747SS**  trans-21.3138.9156.8-66170.9163.2170-6.7116.9
1342N27Very low30.3Very low155 Ų155134.6 Ų134.683%0.82975%0.752SS**  -174.3140.4101.2-95.8-23.3000115.8
1343A27.5Very low30Very low100 Ų100135.3 Ų135.383%0.82675%0.752SS**  trans69.3149.6160.100000120
1344P35.1Very low30.1Very low117 Ų117132.3 Ų132.376%0.7675%0.75SS**  trans-121.3161.9-168.542.6-29.7000115.8
1345N25.9Very low30.1Very low138 Ų138135.7 Ų135.774%0.73875%0.754SS**  trans172152.1149-102.933.7000106.8
1346D29.7Very low30.2Very low140 Ų140132.9 Ų132.975%0.74975%0.746SS**  cis-137.1164.93.3-103.8-55.6000111.2
1347L26.2Very low30.5Very low168 Ų168136.9 Ų136.988%0.8875%0.749SS**  trans-110.272.1-170.6-174.682.2000113
1348V29.7Very low30.8Very low133 Ų133137.9 Ų137.981%0.80675%0.75SS**  trans-147.987.4172.9-170.30000111.9
1349Q31.8Very low31Very low156 Ų156137.7 Ų137.773%0.72974%0.743SS**  trans-166.3-9.1160.2-119.8157.4-7.100117.7K1351Q1349-K1351 PolarHBondContact O-N 3.36Å
1350S32.7Very low31.2Very low126 Ų126141.8 Ų141.888%0.88175%0.75SS**THydrogen-bonded Turntrans-75.845.1-174.773.60000115.1
1351K31.9Very low31.2Very low154 Ų154140.3 Ų140.367%0.6774%0.742SS**THydrogen-bonded Turntrans-139.5-31-178.7-162171.2-179.5-175.50114.1Q1349Q1349-K1351 PolarHBondContact O-N 3.36Å
1352D31.5Very low31.3Very low113 Ų113139.1 Ų139.160%0.60474%0.738SS**Hα-helixtrans-80.5-32.5-172.5-51.4-23.7000111.3A1354 E1355D1352-A1354 PolarHBondContact O-N 3.44Å; D1352-A1354 VanDerWaalsContact O-N 3.13Å; D1352-E1355 PolarHBondContact O-N 2.91Å
1353D32.6Very low31.4Very low117 Ų117137.5 Ų137.563%0.62674%0.736SS**Hα-helixtrans-62.3-18.7175.4-58.6-39.1000114.2
1354A36.5Very low31.4Very low72 Ų72138 Ų13860%0.59573%0.733SS**Hα-helixtrans-77.5-36.6179.900000112.2D1352D1352-A1354 PolarHBondContact O-N 3.44Å; D1352-A1354 VanDerWaalsContact O-N 3.13Å
1355E35.2Very low31Very low147 Ų147139.8 Ų139.869%0.68774%0.736SS**Hα-helixtrans-78.1-27-178-62.2-17317700111.6D1352D1352-E1355 PolarHBondContact O-N 2.91Å
1356L34.8Very low31.2Very low116 Ų116141 Ų14161%0.60774%0.738SS**Hα-helixtrans-69.7-31.9177.4-16072.9000113.3
1357R35.5Very low31.3Very low196 Ų196140.7 Ų140.774%0.7474%0.741SS**Hα-helixtrans-76.2-32.4179.1-73.7-173.1175-172.4-1113.6L1359 L1360R1357-L1359 VanDerWaalsContact C-N 3.3Å; R1357-L1360 PolarHBondContact O-N 3.39Å
1358D34.3Very low31.3Very low137 Ų137140.1 Ų140.173%0.73374%0.739SS**Hα-helixtrans-69.5-31.3177.5-157.856000111.4L1360D1358-L1360 VanDerWaalsContact C-N 3.33Å; D1358-L1360 PolarHBondContact O-N 3.43Å
1359L31.4Very low31.4Very low144 Ų144139.2 Ų139.275%0.75474%0.738SS**Hα-helixtrans-68.8-27.1178.5-152.379.2000113.8R1357R1357-L1359 VanDerWaalsContact C-N 3.3Å
1360L30.6Very low31.2Very low144 Ų144139.6 Ų139.675%0.75475%0.745SS**THydrogen-bonded Turntrans-88.3-7.5-174.8-68.9171.4000114.2R1357 D1358R1357-L1360 PolarHBondContact O-N 3.39Å; D1358-L1360 VanDerWaalsContact C-N 3.33Å; D1358-L1360 PolarHBondContact O-N 3.43Å
1361L29.7Very low30.9Very low147 Ų147138.3 Ų138.377%0.7774%0.743SS**SBendtrans-111.312.7-170.5-86.5166.5000114.8P1363L1361-P1363 WeakPolarHBondContact O-CD 3.49Å
1362R28.6Very low30.8Very low202 Ų202136.8 Ų136.876%0.76275%0.751SS**  trans-97.9115.3-178.9-151.5-179.486.11567.2112.5S1364R1362-S1364 PolarHBondContact O-N 2.87Å
1363P27.6Very low30.7Very low120 Ų120136.7 Ų136.778%0.77976%0.759SS**  trans-63.9135.2171-17.931.5000110.4L1361L1361-P1363 WeakPolarHBondContact O-CD 3.49Å
1364S28.2Very low30.3Very low110 Ų110140 Ų14077%0.76977%0.769SS**  trans-98.2116.1177.3-71.50000110.6R1362R1362-S1364 PolarHBondContact O-N 2.87Å
1365N27.4Very low29.9Very low156 Ų156142.2 Ų142.283%0.83478%0.775SS**  trans-131.8144.6164.4-119.64.9000109.3
1366E28.8Very low29.5Very low163 Ų163139.3 Ų139.376%0.76278%0.776SS**  trans69.890.6165.9-61.1-170-173.100120.1
1367T32.1Very low29.3Very low134 Ų134139.5 Ų139.582%0.82278%0.782SS**  65.8147123.6560000122.8
1368D26.1Very low29Very low155 Ų155136.3 Ų136.383%0.82978%0.778SS**  trans-69.1147.4-176.2-51.6-82000115.9
1369S31.5Very low28.7Very low114 Ų114139.7 Ų139.780%0.79778%0.781SS**  -173122.9116.9-78.30000112.9
1370D29.4Very low28.6Very low164 Ų164143.4 Ų143.488%0.87779%0.785SS**  trans36123151.9-65.6-14.6000121.9
1371A25.6Very low28.5Very low100 Ų100147.1 Ų147.183%0.82679%0.789SS**  trans-81.9130.6168.100000113
1372S28.7Very low28.2Very low121 Ų121146.6 Ų146.685%0.84679%0.786SS**  -176.6156.1125.145.80000114.5
1373S29.8Very low28.3Very low111 Ų111145.3 Ų145.378%0.77679%0.788SS**  trans67.180.7163.9-165.50000120
1374F24.6Very low28.4Very low188 Ų188145.7 Ų145.783%0.82579%0.789SS**  37.1133.6113.5-141-123.5000120.6
1375T28.4Very low28.7Very low118 Ų118146 Ų14672%0.72479%0.788SS**  trans92108.7164.567.10000121.7
1376A27.3Very low28.8Very low86 Ų86142.2 Ų142.271%0.71179%0.786SS**  72.4104.5124.400000122.9
1377T29.8Very low29.2Very low120 Ų120140.8 Ų140.874%0.73679%0.791SS**  80.296.8114.7-52.90000120.7
1378I29.9Very low29.3Very low129 Ų129138.9 Ų138.966%0.66279%0.788SS**  trans83.5119134.2-67.3179.2000121.3
1379R28.4Very low29.8Very low208 Ų208137.7 Ų137.779%0.78579%0.789SS**  trans75.7107.3148.7-75166.3-168.8166.42123
1380R28.5Very low29.8Very low221 Ų221143.2 Ų143.283%0.83479%0.793SS**  64.9121.6118.3-68.9-177-177.6168.50.4122.2
1381R27.4Very low29.8Very low223 Ų223146.1 Ų146.184%0.84279%0.791SS**  trans85.4108.9137-75.1-164.5173.7-168.4-1.1121.8
1382L25.3Very low30.2Very low135 Ų135148.4 Ų148.471%0.70779%0.789SS**  87.9143.2127.3-99.172.1000122.1
1383H29.6Very low30.1Very low175 Ų175146.6 Ų146.681%0.8178%0.781SS**  trans85.8134.8167.2-64.5110.3000120.5
1384T29.8Very low30.6Very low128 Ų128147.2 Ų147.279%0.78578%0.782SS**  trans-105.9-169174.556.80000108.3
1385P35.1Very low31.5Very low116 Ų116143.8 Ų143.875%0.75378%0.779SS**  cis-141.4145.40.338.3-17.8000118.7
1386G28Very low31.8Very low77 Ų77144.6 Ų144.679%0.79478%0.779SS**  trans62.2-169.4151.600000118.8
1387P37.2Very low32Very low134 Ų134151.5 Ų151.587%0.8779%0.787SS**  cis-124.2179.6-9.741.8-27.9000114.1
1388A34.2Very low32.1Very low93 Ų93149.4 Ų149.477%0.76979%0.789SS**  trans-112.115617800000114.1
1389P38.6Very low32.1Very low130 Ų130154.6 Ų154.684%0.84480%0.8SS**  trans-104169.1162.636.5-28.5000113.5
1390R30.6Very low32.1Very low231 Ų231149.9 Ų149.987%0.87280%0.799SS**  trans-129.7168.4-165.5-40.4173.6-168.1-171.60.7112.1
1391R30Very low32.6Very low224 Ų224145.6 Ų145.685%0.84580%0.8SS**  trans153.2148.4143.3-84.3168.1-169.8-92.31.2109.3
1392L32.2Very low32.6Very low149 Ų149138.5 Ų138.578%0.7880%0.796SS**  cis-153.3162.84.6-113.8158.3000110.9
1393A27.1Very low32.9Very low83 Ų83140.3 Ų140.369%0.68681%0.806SS**  trans-121-159.216500000108.2
1394P39.5Very low32.7Very low123 Ų123139.6 Ų139.680%0.79981%0.807SS**  cis-143.3-165.219.644.2-20.8000115.7
1395P44.3Very low32.5Very low116 Ų116139.2 Ų139.275%0.75381%0.808SS**  trans-125.9-170.3-166.345.2-33.3000117
1396N34.4Very low32.1Very low136 Ų136142 Ų14273%0.72781%0.811SS**  trans-172.7152.3164-102.8-36.2000110.7
1397R32.9Very low32Very low231 Ų231145 Ų14587%0.87281%0.814SS**  cis-167.3141.6-8.9-151.7173.9-133.9-163.7-2113.4
1398G30.6Very low31.7Very low75 Ų75142.4 Ų142.477%0.77380%0.799SS**  trans102.4158.5155.400000118.5
1399R30.4Very low31.5Very low239 Ų239142.6 Ų142.690%0.90279%0.787SS**  cis176.8127.7-42.2168.5-178.9-174.3-115.72.6109.8
1400S29.3Very low31.1Very low109 Ų109140.9 Ų140.976%0.76278%0.784SS**  cis-147.2-82.5-16.1-88.20000114.8
1401P37.2Very low31.4Very low131 Ų131134.2 Ų134.285%0.85177%0.773SS**  trans-134.9157.7-140.940-21000120.2
1402G29.1Very low31.8Very low74 Ų74128.2 Ų128.276%0.76376%0.755SS**  trans121.7136.816500000113.2
1403L31.4Very low32Very low173 Ų173127.9 Ų127.991%0.90675%0.75SS**  cis-144.1-175.9-2.1-151.494.3000110.8
1404L25.6Very low32.6Very low160 Ų160127 Ų12784%0.83874%0.743SS**  trans-76.2144.1-170.9-60.4160.3000114.3
1405C25.5Very low32.6Very low120 Ų120125.9 Ų125.981%0.81173%0.73SS**  148.7102.1115.1-168.70000112.8
1406E25.9Very low32.6Very low173 Ų173122.4 Ų122.481%0.80871%0.705SS**  trans-165.1100157-120.8160.6-151.800109.7
1407T25.1Very low33.1Very low142 Ų142122 Ų12287%0.87170%0.699SS**  trans-145.171.1176.456.10000110
1408S31.2Very low33.8Very low79 Ų79117.7 Ų117.755%0.55269%0.688SS**  trans-139-28.4178.246.80000114.4
1409D29.6Very low34.4Very low96 Ų96115.4 Ų115.451%0.51366%0.657SS.*G310 helixtrans-80.3-26.7-161.5-62.82.1000113.6S1411 M1412D1409-S1411 PolarHBondContact O-N 3.24Å; D1409-M1412 WeakPolarHBondContact O-CB 3.4Å; D1409-M1412 PolarHBondContact O-N 2.88Å
1410A31Very low35.4Very low94 Ų94106.4 Ų106.478%0.77763%0.627SS**G310 helixtrans-63.6-9.7-179.500000114.8
1411S38.1Very low36.7Very low91 Ų91106.7 Ų106.764%0.63662%0.619SS**G310 helixtrans-97.1-6172.5-171.20000113.4D1409D1409-S1411 PolarHBondContact O-N 3.24Å
1412M38.3Very low37.3Very low98 Ų98104.6 Ų104.648%0.48360%0.6SS.*THydrogen-bonded Turntrans-89.4-44.9-176.1-145.3176.4-51.100111.1D1409 A1414 L1415D1409-M1412 WeakPolarHBondContact O-CB 3.4Å; D1409-M1412 PolarHBondContact O-N 2.88Å; M1412-A1414 PolarHBondContact O-N 3.46Å; M1412-L1415 PolarHBondContact O-N 2.95Å
1413E36.3Very low38.4Very low142 Ų142101.7 Ų101.766%0.66457%0.567SS**G310 helixtrans-60.5-27.6-179.1-62.2-177.2124.800113.5L1415 D1416E1413-L1415 PolarHBondContact O-N 3.3Å; E1413-D1416 PolarHBondContact O-N 2.95Å
1414A39.1Very low39.5Very low66 Ų6694.7 Ų94.755%0.54553%0.53SS..G310 helixtrans-68.2-30.5179.400000113.5M1412M1412-A1414 PolarHBondContact O-N 3.46Å
1415L39.2Very low40.7Very low98 Ų9889.4 Ų89.451%0.51351%0.51SS..G310 helixtrans-93.1-1.9179.5-67.6174.1000113R147 M1412 E1413R147-L1415 PolarHBondContact NH2-O 2.91Å; M1412-L1415 PolarHBondContact O-N 2.95Å; E1413-L1415 PolarHBondContact O-N 3.3Å
1416D44.1Very low41.7Very low43 Ų4384.4 Ų84.423%0.2348%0.476CS..THydrogen-bonded Turntrans-81.8-27.6175.7-77.2-10000112.3R147 E1413 E1418 D1420R147-D1416 IonicContact CZ-OD1 3.86Å; R147-D1416 IonicContact NH1-OD1 2.7Å; R147-D1416 PolarHBondContact NH1-OD1 3.32Å; R147-D1416 IonicContact NH2-OD1 2.65Å; E1413-D1416 PolarHBondContact O-N 2.95Å; D1416-E1418 PolarHBondContact O-N 3.44Å; D1416-D1420 PolarHBondContact O-N 2.94Å
1417Q46Very low42.7Very low129 Ų12977.1 Ų77.160%0.60344%0.443SS*.Hα-helixtrans-66-42.3-171.8-60.6-174.18.800113.5Q1419 D1420 I1421Q1417-Q1419 PolarHBondContact O-N 3.21Å; Q1417-D1420 PolarHBondContact O-N 2.68Å; Q1417-I1421 WeakPolarHBondContact O-CB 3.22Å; Q1417-I1421 WeakPolarHBondContact O-CD1 3.29Å; Q1417-I1421 VanDerWaalsContact O-CG1 3.24Å; Q1417-I1421 WeakPolarHBondContact O-CG1 3.41Å; Q1417-I1421 PolarHBondContact O-N 3.25Å
1418E46Very low43.5Very low140 Ų14078.2 Ų78.265%0.65443%0.431SS*.Hα-helixtrans-61.4-40.7-176.4-64.8-17415400113.6D1416 L1422D1416-E1418 PolarHBondContact O-N 3.44Å; E1418-L1422 PolarHBondContact O-N 3.24Å; E1418-L1422 VanDerWaalsContact O-N 3.15Å
1419Q44.9Very low44Very low26 Ų2678.2 Ų78.212%0.12144%0.436CS..Hα-helixtrans-78.5-32.3177.5-81.5-162.8-74.600112.6Q1417 I1421 L1422 L1423Q1417-Q1419 PolarHBondContact O-N 3.21Å; Q1419-I1421 VanDerWaalsContact C-N 3.28Å; Q1419-L1422 PolarHBondContact O-N 3.04Å; Q1419-L1423 PolarHBondContact O-N 3.28Å
1420D51.5Low44.2Very low51 Ų5176.2 Ų76.227%0.27343%0.429SS..Hα-helixtrans-64.8-36.7172.3-11923.4000110.5K185 K189 D1416 Q1417 D1424K185-D1420 WeakPolarHBondContact CE-OD2 3.41Å; K185-D1420 IonicContact NZ-OD2 3Å; K185-D1420 PolarHBondContact NZ-OD2 2.75Å; K189-D1420 IonicContact NZ-OD1 2.63Å; K189-D1420 PolarHBondContact NZ-OD1 3Å; K189-D1420 IonicContact NZ-OD2 3.14Å; K189-D1420 PolarHBondContact NZ-OD2 3.47Å; D1416-D1420 PolarHBondContact O-N 2.94Å; Q1417-D1420 PolarHBondContact O-N 2.68Å; D1420-D1424 WeakPolarHBondContact O-CB 3.21Å; D1420-D1424 VanDerWaalsContact O-CG 3.27Å; D1420-D1424 PolarHBondContact O-N 2.93Å
1421I55.8Low44.3Very low114 Ų11475.5 Ų75.559%0.58542%0.415SS*.Hα-helixtrans-61.9-48.1172.1-70.4162.5000111.8Q1417 Q1419 D1424 A1425Q1417-I1421 WeakPolarHBondContact O-CB 3.22Å; Q1417-I1421 WeakPolarHBondContact O-CD1 3.29Å; Q1417-I1421 VanDerWaalsContact O-CG1 3.24Å; Q1417-I1421 WeakPolarHBondContact O-CG1 3.41Å; Q1417-I1421 PolarHBondContact O-N 3.25Å; Q1419-I1421 VanDerWaalsContact C-N 3.28Å; I1421-D1424 PolarHBondContact O-N 2.8Å; I1421-A1425 VanDerWaalsContact O-CB 3.27Å; I1421-A1425 WeakPolarHBondContact O-CB 3.13Å; I1421-A1425 PolarHBondContact O-N 3.29Å
1422L48.9Very low43.9Very low87 Ų8777 Ų7746%0.45542%0.423SS..Hα-helixtrans-70.6-39.6-176.9-171.266.5000112.7L154 E1418 Q1419 A1425 C1426L154-L1422 HydrophobicContact CD1-CD2 3.75Å; L154-L1422 HydrophobicContact CD1-CG 4.48Å; E1418-L1422 PolarHBondContact O-N 3.24Å; E1418-L1422 VanDerWaalsContact O-N 3.15Å; Q1419-L1422 PolarHBondContact O-N 3.04Å; L1422-A1425 PolarHBondContact O-N 3.43Å; L1422-C1426 PolarHBondContact O-N 3.4Å; L1422-C1426 PolarHBondContact O-SG 3.34Å
1423L53.8Low43.3Very low13 Ų1377.2 Ų77.27%0.06843%0.434CS..Hα-helixtrans-67.7-39.9174-106.382000111.5K189 L190 Q1419 A1425 C1426 L1427K189-L1423 HydrophobicContact CB-CD2 3.88Å; K189-L1423 HydrophobicContact CD-CD2 4.29Å; L190-L1423 HydrophobicContact CD2-CD2 4.17Å; Q1419-L1423 PolarHBondContact O-N 3.28Å; L1423-A1425 VanDerWaalsContact C-N 3.33Å; L1423-C1426 PolarHBondContact O-N 2.78Å; L1423-L1427 WeakPolarHBondContact O-CB 3.44Å; L1423-L1427 VanDerWaalsContact O-CG 3.3Å; L1423-L1427 WeakPolarHBondContact O-CG 3.48Å; L1423-L1427 PolarHBondContact O-N 3.33Å
1424D53.2Low43.1Very low26 Ų2677.1 Ų77.114%0.13944%0.437CS..Hα-helixtrans-64.6-37.9173.5-84.827.5000111.9K189 D1420 I1421 C1426 L1427 R1428K189-D1424 WeakPolarHBondContact CE-OD1 3.19Å; K189-D1424 IonicContact NZ-OD1 2.67Å; K189-D1424 PolarHBondContact NZ-OD1 3.01Å; D1420-D1424 WeakPolarHBondContact O-CB 3.21Å; D1420-D1424 VanDerWaalsContact O-CG 3.27Å; D1420-D1424 PolarHBondContact O-N 2.93Å; I1421-D1424 PolarHBondContact O-N 2.8Å; D1424-C1426 VanDerWaalsContact C-N 3.32Å; D1424-C1426 PolarHBondContact O-N 3.32Å; D1424-L1427 PolarHBondContact O-N 2.86Å; D1424-R1428 VanDerWaalsContact O-CB 3.28Å; D1424-R1428 WeakPolarHBondContact O-CB 3.41Å; D1424-R1428 WeakPolarHBondContact O-CG 3.26Å; D1424-R1428 PolarHBondContact O-N 3.31Å; D1424-R1428 IonicContact OD2-CZ 2.88Å; D1424-R1428 IonicContact OD2-NE 3.91Å; D1424-R1428 IonicContact OD2-NH2 3.33Å; D1424-R1428 PolarHBondContact OD2-NH2 2.7Å
1425A51.6Low42.6Very low49 Ų4982 Ų8241%0.40545%0.454SS..Hα-helixtrans-61.3-42.417500000111.1I1421 L1422 L1423 R1428 A1429I1421-A1425 VanDerWaalsContact O-CB 3.27Å; I1421-A1425 WeakPolarHBondContact O-CB 3.13Å; I1421-A1425 PolarHBondContact O-N 3.29Å; L1422-A1425 PolarHBondContact O-N 3.43Å; L1423-A1425 VanDerWaalsContact C-N 3.33Å; A1425-R1428 PolarHBondContact O-N 3.07Å; A1425-A1429 WeakPolarHBondContact O-CB 3.27Å; A1425-A1429 PolarHBondContact O-N 3.32Å
1426C45.5Very low42Very low16 Ų1681.3 Ų81.311%0.10846%0.457CS..Hα-helixtrans-64.5-42.3173.9-62.80000112.1L193 L1422 L1423 D1424 S1430L193-C1426 HydrophobicContact CD1-CB 4.48Å; L1422-C1426 PolarHBondContact O-N 3.4Å; L1422-C1426 PolarHBondContact O-SG 3.34Å; L1423-C1426 PolarHBondContact O-N 2.78Å; D1424-C1426 VanDerWaalsContact C-N 3.32Å; D1424-C1426 PolarHBondContact O-N 3.32Å; C1426-S1430 PolarHBondContact O-N 3.22Å; C1426-S1430 PolarHBondContact O-OG 3.24Å; C1426-S1430 VanDerWaalsContact O-OG 3.08Å
1427L46.9Very low41.3Very low19 Ų1988.6 Ų88.610%0.09949%0.489CS..Hα-helixtrans-69.3-32178.8-70.5169000113.2K189 L192 L1423 D1424K189-L1427 HydrophobicContact CG-CD1 4.48Å; L192-L1427 HydrophobicContact CB-CD2 4.34Å; L192-L1427 HydrophobicContact CD2-CD1 4.27Å; L192-L1427 HydrophobicContact CD2-CD2 3.75Å; L192-L1427 HydrophobicContact CG-CD2 3.76Å; L1423-L1427 WeakPolarHBondContact O-CB 3.44Å; L1423-L1427 VanDerWaalsContact O-CG 3.3Å; L1423-L1427 WeakPolarHBondContact O-CG 3.48Å; L1423-L1427 PolarHBondContact O-N 3.33Å; D1424-L1427 PolarHBondContact O-N 2.86Å
1428R43.4Very low40.5Very low165 Ų16586 Ų8662%0.62350%0.497SS*.Hα-helixtrans-84-32.9177.6-66.1172.3-155.3179.99.5112.7D1424 A1425 S1430 T1431D1424-R1428 VanDerWaalsContact O-CB 3.28Å; D1424-R1428 WeakPolarHBondContact O-CB 3.41Å; D1424-R1428 WeakPolarHBondContact O-CG 3.26Å; D1424-R1428 PolarHBondContact O-N 3.31Å; D1424-R1428 IonicContact OD2-CZ 2.88Å; D1424-R1428 IonicContact OD2-NE 3.91Å; D1424-R1428 IonicContact OD2-NH2 3.33Å; D1424-R1428 PolarHBondContact OD2-NH2 2.7Å; A1425-R1428 PolarHBondContact O-N 3.07Å; R1428-S1430 PolarHBondContact O-N 3.05Å; R1428-T1431 PolarHBondContact O-N 2.98Å; R1428-T1431 PolarHBondContact O-OG1 3.4Å
1429A40.8Very low39.5Very low79 Ų7984.1 Ų84.165%0.65351%0.506SS*.Hα-helixtrans-63-32.1170.700000111.5A1425 T1431A1425-A1429 WeakPolarHBondContact O-CB 3.27Å; A1425-A1429 PolarHBondContact O-N 3.32Å; A1429-T1431 PolarHBondContact O-N 3.13Å
1430S34.8Very low38.9Very low54 Ų5488.9 Ų88.938%0.37854%0.539SS..THydrogen-bonded Turntrans-79.36.3172.4-58.20000114.6D196 C1426 R1428D196-S1430 VanDerWaalsContact OD2-CB 3.31Å; D196-S1430 WeakPolarHBondContact OD2-CB 3.29Å; C1426-S1430 PolarHBondContact O-N 3.22Å; C1426-S1430 PolarHBondContact O-OG 3.24Å; C1426-S1430 VanDerWaalsContact O-OG 3.08Å; R1428-S1430 PolarHBondContact O-N 3.05Å
1431T32.8Very low37.8Very low79 Ų7989.8 Ų89.849%0.48556%0.56SS.*SBendtrans-110.598.816851.70000109.7R1428 A1429 S1433R1428-T1431 PolarHBondContact O-N 2.98Å; R1428-T1431 PolarHBondContact O-OG1 3.4Å; A1429-T1431 PolarHBondContact O-N 3.13Å; T1431-S1433 PolarHBondContact O-N 3Å
1432P29.2Very low36.3Very low124 Ų12496.4 Ų96.481%0.80558%0.578SS**  trans-67.6119.8-177.327.3-33.7000110.1
1433S26.4Very low35.4Very low102 Ų102103.8 Ų103.871%0.71360%0.6SS**  trans-126.3103.3176-163.80000111T1431T1431-S1433 PolarHBondContact O-N 3Å
1434I30.9Very low34Very low140 Ų140109.6 Ų109.672%0.71864%0.635SS**  trans62102.2157.1-52.3169.2000115.9
1435N29.6Very low33Very low169 Ų169113.4 Ų113.490%0.90466%0.661SS**  -143130.1112.7-122.7-23.6000111.2
1436S26.7Very low31.9Very low82 Ų82116.5 Ų116.557%0.57368%0.677SS**  trans-113.5133.4-170.768.40000111.8
1437H28.7Very low31Very low196 Ų196126 Ų12691%0.90772%0.717SS**  trans-179.3131132.6-86.7-37.1000111.6
1438G28Very low30.2Very low75 Ų75132.1 Ų132.177%0.77375%0.75SS**  trans160.359.5176.300000115.4P1440G1438-P1440 VanDerWaalsContact O-CD 3.3Å; G1438-P1440 WeakPolarHBondContact O-CD 3.44Å
1439A26.3Very low29.5Very low101 Ų101135.1 Ų135.184%0.83576%0.761SS**PPolyproline II helixtrans-77.1119.4-17700000113.1
1440P32.1Very low28.9Very low125 Ų125143.2 Ų143.281%0.81277%0.774SS**PPolyproline II helixtrans-78.3129.7171.831.6-32.8000111G1438G1438-P1440 VanDerWaalsContact O-CD 3.3Å; G1438-P1440 WeakPolarHBondContact O-CD 3.44Å
1441G27.5Very low28.5Very low70 Ų70151.8 Ų151.872%0.72280%0.799SS**PPolyproline II helixtrans-68.1152.8-175.100000114.9R1443G1441-R1443 PolarHBondContact O-N 3.48Å
1442R25.8Very low28.4Very low254 Ų254153.4 Ų153.496%0.95881%0.811SS**  trans-34.1118.9176.9-75.3179.7165.4-147.6-2.8114.2
1443R28.3Very low28.5Very low242 Ų242153.6 Ų153.691%0.91381%0.809SS**  trans-120.4139.8148.7-70.7-171176.6-1771.2109.5G1441G1441-R1443 PolarHBondContact O-N 3.48Å
1444V25.7Very low29Very low134 Ų134155.8 Ų155.881%0.81281%0.813SS**PPolyproline II helixtrans-78.8131.8-172.9179.30000109.4
1445P31.2Very low29.7Very low106 Ų106158.5 Ų158.569%0.68881%0.814SS**PPolyproline II helixtrans-67.2141.6175.327.9-34.5000110.8
1446P28.3Very low30.8Very low114 Ų114153.5 Ų153.574%0.7479%0.793SS**PPolyproline II helixtrans-58.8141.9171.3-21.132.8000111.1D1448P1446-D1448 PolarHBondContact O-N 3.4Å
1447K26.8Very low32.6Very low216 Ų216151.4 Ų151.494%0.93977%0.772SS**  trans-73.880.3170.5-85.3-173.1172.4179.20110.1
1448D31.1Very low34.4Very low148 Ų148145.8 Ų145.879%0.79175%0.745SS**  trans-71137.2177.3-122.1-45.9000112.3P1446 R1450P1446-D1448 PolarHBondContact O-N 3.4Å; D1448-R1450 PolarHBondContact O-N 3.18Å
1449R28.5Very low36.3Very low227 Ų227142.4 Ų142.486%0.85771%0.71SS**  trans-93.990.9-160.8-161.3175.4-174173.90.3109.2R1451R1449-R1451 PolarHBondContact O-N 3.24Å
1450R27.5Very low38.3Very low249 Ų249139 Ų13994%0.9468%0.678SS**  trans-37.2108.9179.9-72.4-172.1178.5-171.5-0.8111.5D1448D1448-R1450 PolarHBondContact O-N 3.18Å
1451R27.9Very low39.9Very low235 Ų235134.2 Ų134.289%0.88764%0.644SS**  trans-85144.2163.5-61.4-172.8-171.5-171.34.9108.2R1449R1449-R1451 PolarHBondContact O-N 3.24Å
1452P28.9Very low41.6Very low113 Ų113132.9 Ų132.973%0.73462%0.617SS**  trans-76.6154.2178.831.7-34.9000112.3
1453T32.5Very low43.4Very low127 Ų127123.4 Ų123.478%0.77959%0.588SS**  trans55.677.5160.659.50000117.9
1454D37Very low44.8Very low148 Ų148118.1 Ų118.179%0.79158%0.577SS**  -86.8141.8117.2-90.5-47.7000107.9S1456D1454-S1456 PolarHBondContact O-N 3.39Å; D1454-S1456 VanDerWaalsContact O-N 3.16Å
1455R44.8Very low46.3Very low198 Ų198117.4 Ų117.475%0.74757%0.569SS**  trans-8386.2174.3-86.7-178.6164.1166.5-3.2109F369 R1457F369-R1455 VanDerWaalsContact CE1-NH1 3.26Å; F369-R1455 VanDerWaalsContact CZ-NH1 3.31Å; R1455-R1457 PolarHBondContact O-N 3.29Å
1456S53Low47.2Very low64 Ų64118 Ų11845%0.44856%0.56SS.*  trans-55129.6176.1540000111.2D1454 F1458D1454-S1456 PolarHBondContact O-N 3.39Å; D1454-S1456 VanDerWaalsContact O-N 3.16Å; S1456-F1458 WeakPolarHBondContact OG-CE2 3.48Å; S1456-F1458 WeakPolarHBondContact OG-CZ 3.28Å
1457R64.2Low48Very low38 Ų38121.8 Ų121.814%0.14357%0.565CS.*  trans-69.3138169.9-171.5171.1177177.9-6.8108.3D258 Y261 D262 D265 R1455D258-R1457 PolarHBondContact O-NH1 3.2Å; Y261-R1457 VanDerWaalsContact CB-CZ 3.47Å; Y261-R1457 HydrophobicContact CD2-CB 3.79Å; Y261-R1457 HydrophobicContact CD2-CG 3.57Å; Y261-R1457 HydrophobicContact CE2-CB 3.98Å; Y261-R1457 HydrophobicContact CE2-CG 4.12Å; Y261-R1457 WeakPolarHBondContact CE2-O 3.41Å; Y261-R1457 HydrophobicContact CG-CG 3.97Å; Y261-R1457 PolarHBondContact OH-O 3.11Å; D262-R1457 IonicContact OD1-CZ 3.06Å; D262-R1457 IonicContact OD1-NH1 3.85Å; D262-R1457 PolarHBondContact OD1-NH1 3.41Å; D262-R1457 IonicContact OD1-NH2 2.67Å; D262-R1457 PolarHBondContact OD1-NH2 2.78Å; D262-R1457 IonicContact OD2-NH1 3.71Å; D265-R1457 IonicContact OD2-CZ 2.68Å; D265-R1457 IonicContact OD2-NE 3.78Å; D265-R1457 IonicContact OD2-NH2 2.75Å; D265-R1457 PolarHBondContact OD2-NH2 2.92Å; R1455-R1457 PolarHBondContact O-N 3.29Å
1458F67Low49Very low78 Ų78115.9 Ų115.934%0.34254%0.544SS..  trans-122.1154.8173.8-62.5-66.2000109D304 R368 S1456 R1462 T1463D304-F1458 VanDerWaalsContact O-CD1 3.31Å; D304-F1458 WeakPolarHBondContact O-CD1 3.29Å; D304-F1458 WeakPolarHBondContact O-CE1 3.33Å; D304-F1458 VanDerWaalsContact OD1-CA 3.31Å; D304-F1458 WeakPolarHBondContact OD1-CA 3.3Å; D304-F1458 WeakPolarHBondContact OD1-CB 3.44Å; R368-F1458 PolarHBondContact NH1-O 3.42Å; R368-F1458 VanDerWaalsContact NH1-O 3.13Å; S1456-F1458 WeakPolarHBondContact OG-CE2 3.48Å; S1456-F1458 WeakPolarHBondContact OG-CZ 3.28Å; F1458-R1462 HydrophobicContact CB-CB 4.47Å; F1458-R1462 HydrophobicContact CB-CG 4.44Å; F1458-T1463 PolarHBondContact O-OG1 3.03Å
1459S68Low50.2Low3 Ų3111.4 Ų111.42%0.02153%0.527CS..  trans-52.8149.6177730000111.5Y261 D304 R1461 R1462 T1463Y261-S1459 VanDerWaalsContact CE1-N 3.31Å; D304-S1459 PolarHBondContact OD1-N 2.96Å; D304-S1459 PolarHBondContact OD1-OG 3.11Å; D304-S1459 WeakPolarHBondContact OD2-CB 3.47Å; D304-S1459 PolarHBondContact OD2-OG 3.37Å; S1459-R1461 PolarHBondContact O-N 2.87Å; S1459-R1462 PolarHBondContact O-N 2.84Å; S1459-R1462 WeakPolarHBondContact OG-CB 3.23Å; S1459-R1462 PolarHBondContact OG-N 3.04Å; S1459-T1463 WeakPolarHBondContact O-CB 3.42Å; S1459-T1463 PolarHBondContact O-N 3.15Å; S1459-T1463 PolarHBondContact O-OG1 2.94Å
1460V67.5Low51.4Low30 Ų30107.2 Ų107.218%0.18252%0.517CS..Hα-helixtrans-49.6-41.2168.8158.90000111.5D265 T1463 L1464D265-V1460 HydrophobicContact CB-CG2 4.02Å; D265-V1460 VanDerWaalsContact OD1-CG2 3.28Å; D265-V1460 WeakPolarHBondContact OD1-CG2 3.26Å; D265-V1460 PolarHBondContact OD1-N 3.49Å; V1460-T1463 PolarHBondContact O-N 2.66Å; V1460-L1464 HydrophobicContact CG1-CD1 3.65Å; V1460-L1464 HydrophobicContact CG1-CG 4.34Å; V1460-L1464 WeakPolarHBondContact O-CB 3.44Å; V1460-L1464 VanDerWaalsContact O-CG 3.29Å; V1460-L1464 WeakPolarHBondContact O-CG 3.17Å; V1460-L1464 PolarHBondContact O-N 2.94Å
1461R65.9Low52.7Low25 Ų25100.8 Ų100.89%0.09450%0.502CS..Hα-helixtrans-61.4-51.2177.3-63.8-163.9-164.1167.412.5113.6E268 E297 S1459 T1463 L1464 N1465E268-R1461 HydrophobicContact CG-CG 4.4Å; E268-R1461 IonicContact OE1-CZ 3.84Å; E268-R1461 VanDerWaalsContact OE1-CZ 3.26Å; E268-R1461 IonicContact OE1-NE 3.12Å; E268-R1461 PolarHBondContact OE1-NE 3.35Å; E268-R1461 IonicContact OE1-NH2 3.83Å; E268-R1461 PolarHBondContact OE1-NH2 3Å; E268-R1461 WeakPolarHBondContact OE2-CG 3.26Å; E268-R1461 IonicContact OE2-CZ 3.32Å; E268-R1461 IonicContact OE2-NE 2.96Å; E268-R1461 PolarHBondContact OE2-NE 3.1Å; E268-R1461 IonicContact OE2-NH2 3.54Å; E297-R1461 IonicContact OE1-CZ 3.82Å; E297-R1461 IonicContact OE1-NH1 2.73Å; E297-R1461 PolarHBondContact OE1-NH1 3.25Å; E297-R1461 IonicContact OE1-NH2 3.09Å; E297-R1461 PolarHBondContact OE1-NH2 2.88Å; E297-R1461 IonicContact OE2-CZ 2.96Å; E297-R1461 IonicContact OE2-NH1 2.67Å; E297-R1461 PolarHBondContact OE2-NH1 2.98Å; S1459-R1461 PolarHBondContact O-N 2.87Å; R1461-T1463 VanDerWaalsContact C-N 3.26Å; R1461-T1463 PolarHBondContact O-N 3.49Å; R1461-L1464 PolarHBondContact O-N 3.3Å; R1461-N1465 VanDerWaalsContact O-CB 3.32Å; R1461-N1465 WeakPolarHBondContact O-CB 3.32Å; R1461-N1465 PolarHBondContact O-N 3.22Å; R1461-N1465 PolarHBondContact O-ND2 3.07Å
1462R63.8Low54.1Low41 Ų4193.9 Ų93.916%0.15548%0.482CS..Hα-helixtrans-66.1-31.6179178.3171.9-88.1-147.3-4.4111.3D304 E306 F1458 S1459 K1466D304-R1462 PolarHBondContact O-NH1 3.17Å; D304-R1462 WeakPolarHBondContact OD2-CB 3.47Å; D304-R1462 IonicContact OD2-NE 3.73Å; E306-R1462 IonicContact OE1-CZ 3.09Å; E306-R1462 IonicContact OE1-NH2 2.68Å; E306-R1462 PolarHBondContact OE1-NH2 3.37Å; F1458-R1462 HydrophobicContact CB-CB 4.47Å; F1458-R1462 HydrophobicContact CB-CG 4.44Å; S1459-R1462 PolarHBondContact O-N 2.84Å; S1459-R1462 WeakPolarHBondContact OG-CB 3.23Å; S1459-R1462 PolarHBondContact OG-N 3.04Å; R1462-K1466 HydrophobicContact CG-CD 3.86Å; R1462-K1466 HydrophobicContact CG-CG 4.27Å; R1462-K1466 VanDerWaalsContact O-CB 3.31Å; R1462-K1466 WeakPolarHBondContact O-CB 3.44Å; R1462-K1466 PolarHBondContact O-N 3.26Å
1463T64.2Low55.6Low56 Ų5691.9 Ų91.934%0.34446%0.464SS..Hα-helixtrans-69.5-30.5174.1-44.40000113.3R368 F1458 S1459 V1460 R1461R368-T1463 PolarHBondContact NH1-OG1 3.48Å; R368-T1463 VanDerWaalsContact NH2-CB 3.34Å; R368-T1463 PolarHBondContact NH2-OG1 3.1Å; F1458-T1463 PolarHBondContact O-OG1 3.03Å; S1459-T1463 WeakPolarHBondContact O-CB 3.42Å; S1459-T1463 PolarHBondContact O-N 3.15Å; S1459-T1463 PolarHBondContact O-OG1 2.94Å; V1460-T1463 PolarHBondContact O-N 2.66Å; R1461-T1463 VanDerWaalsContact C-N 3.26Å; R1461-T1463 PolarHBondContact O-N 3.49Å
1464L57.8Low57Low130 Ų13089.9 Ų89.968%0.68145%0.445SS*.Hα-helixtrans-86.8-39.1177.4-71.3171.5000112.8V1460 R1461V1460-L1464 HydrophobicContact CG1-CD1 3.65Å; V1460-L1464 HydrophobicContact CG1-CG 4.34Å; V1460-L1464 WeakPolarHBondContact O-CB 3.44Å; V1460-L1464 VanDerWaalsContact O-CG 3.29Å; V1460-L1464 WeakPolarHBondContact O-CG 3.17Å; V1460-L1464 PolarHBondContact O-N 2.94Å; R1461-L1464 PolarHBondContact O-N 3.3Å
1465N56.3Low58.3Low120 Ų12085.3 Ų85.364%0.64243%0.428SS*.Hα-helixtrans-80.7-34.5-175.6-70.2-26.2000112.9R1461 K1467R1461-N1465 VanDerWaalsContact O-CB 3.32Å; R1461-N1465 WeakPolarHBondContact O-CB 3.32Å; R1461-N1465 PolarHBondContact O-N 3.22Å; R1461-N1465 PolarHBondContact O-ND2 3.07Å; N1465-K1467 PolarHBondContact O-N 3.47Å
1466K51Low59.2Low117 Ų11779.9 Ų79.951%0.50941%0.413SS..SBendtrans-79.7101.9164.1-64.4-176.3179.7178.90107.5R1462 L1468R1462-K1466 HydrophobicContact CG-CD 3.86Å; R1462-K1466 HydrophobicContact CG-CG 4.27Å; R1462-K1466 VanDerWaalsContact O-CB 3.31Å; R1462-K1466 WeakPolarHBondContact O-CB 3.44Å; R1462-K1466 PolarHBondContact O-N 3.26Å; K1466-L1468 PolarHBondContact O-N 3.28Å
1467K44.1Very low59.6Low194 Ų19481.7 Ų81.784%0.84341%0.414SS*.PPolyproline II helixtrans-46134.2156.1-66.6-178.2179.6-179.90107.3N1465 A1469N1465-K1467 PolarHBondContact O-N 3.47Å; K1467-A1469 PolarHBondContact O-N 3.2Å
1468L48.8Very low59.8Low93 Ų9386.4 Ų86.449%0.48744%0.438SS..PPolyproline II helixtrans-49.3142.5179.4-78.284.5000109.4K1466 E1470 D1472 I1473 I1476K1466-L1468 PolarHBondContact O-N 3.28Å; L1468-E1470 PolarHBondContact O-N 3.18Å; L1468-D1472 HydrophobicContact CB-CB 4.28Å; L1468-D1472 HydrophobicContact CD2-CB 4.26Å; L1468-I1473 HydrophobicContact CB-CD1 4.23Å; L1468-I1473 HydrophobicContact CB-CG1 3.72Å; L1468-I1473 WeakPolarHBondContact O-CD1 3.34Å; L1468-I1476 HydrophobicContact CD2-CD1 3.72Å
1469A55.1Low59.8Low54 Ų5487.5 Ų87.545%0.44645%0.45SS..PPolyproline II helixtrans-55.1143.2177.100000108.7K1467 D1471 D1472 I1473K1467-A1469 PolarHBondContact O-N 3.2Å; A1469-D1471 PolarHBondContact O-N 3.44Å; A1469-D1472 HydrophobicContact CB-CB 4.49Å; A1469-D1472 WeakPolarHBondContact O-CA 3.44Å; A1469-D1472 WeakPolarHBondContact O-CB 3.23Å; A1469-D1472 PolarHBondContact O-N 3.38Å; A1469-I1473 PolarHBondContact O-N 2.97Å
1470E53.3Low59.8Low139 Ų13990.8 Ų90.865%0.6547%0.467SS*.Hα-helixtrans-59.6-24.3-172.8-148-172.7-115.100111.9L1468 K1474L1468-E1470 PolarHBondContact O-N 3.18Å; E1470-K1474 WeakPolarHBondContact O-CD 3.17Å; E1470-K1474 VanDerWaalsContact O-CE 3.27Å; E1470-K1474 WeakPolarHBondContact O-CE 3.33Å; E1470-K1474 WeakPolarHBondContact O-CG 3.2Å; E1470-K1474 PolarHBondContact O-N 3Å; E1470-K1474 WeakPolarHBondContact OE2-CE 3.15Å; E1470-K1474 IonicContact OE2-NZ 3.04Å; E1470-K1474 PolarHBondContact OE2-NZ 3.3Å
1471D55.3Low59.7Low114 Ų11494.5 Ų94.561%0.6148%0.482SS*.Hα-helixtrans-81.8-28.3175.2-55.2-31.8000113.6A1469 K1474 A1475A1469-D1471 PolarHBondContact O-N 3.44Å; D1471-K1474 IonicContact OD1-NZ 2.76Å; D1471-K1474 PolarHBondContact OD1-NZ 2.72Å; D1471-A1475 VanDerWaalsContact O-CB 3.28Å; D1471-A1475 WeakPolarHBondContact O-CB 3.36Å; D1471-A1475 PolarHBondContact O-N 2.94Å
1472D57.3Low59.7Low90 Ų9095.6 Ų95.648%0.48150%0.497SS..Hα-helixtrans-69.2-38167.6-73.2-49.7000110.7L1468 A1469 A1475 I1476L1468-D1472 HydrophobicContact CB-CB 4.28Å; L1468-D1472 HydrophobicContact CD2-CB 4.26Å; A1469-D1472 HydrophobicContact CB-CB 4.49Å; A1469-D1472 WeakPolarHBondContact O-CA 3.44Å; A1469-D1472 WeakPolarHBondContact O-CB 3.23Å; A1469-D1472 PolarHBondContact O-N 3.38Å; D1472-A1475 PolarHBondContact O-N 2.81Å; D1472-I1476 WeakPolarHBondContact O-CG1 3.37Å; D1472-I1476 PolarHBondContact O-N 2.89Å
1473I60.4Low59.4Low70 Ų7097.7 Ų97.736%0.35952%0.518SS..Hα-helixtrans-62.2-51172.8-61.9176.2000109.3L1468 A1469 A1475 I1476 E1477L1468-I1473 HydrophobicContact CB-CD1 4.23Å; L1468-I1473 HydrophobicContact CB-CG1 3.72Å; L1468-I1473 WeakPolarHBondContact O-CD1 3.34Å; A1469-I1473 PolarHBondContact O-N 2.97Å; I1473-A1475 VanDerWaalsContact C-N 3.27Å; I1473-A1475 PolarHBondContact O-N 2.78Å; I1473-I1476 PolarHBondContact O-N 3.21Å; I1473-I1476 VanDerWaalsContact O-N 3.16Å; I1473-E1477 HydrophobicContact CG2-CG 4.37Å; I1473-E1477 WeakPolarHBondContact O-CB 3.43Å; I1473-E1477 WeakPolarHBondContact O-CG 3.37Å; I1473-E1477 PolarHBondContact O-N 2.87Å
1474K63.1Low59.2Low86 Ų8698.8 Ų98.837%0.37453%0.533SS..Hα-helixtrans-59.3-35.6175.3-69.4159.9-151.6156.60112.5E1470 D1471 H1478E1470-K1474 WeakPolarHBondContact O-CD 3.17Å; E1470-K1474 VanDerWaalsContact O-CE 3.27Å; E1470-K1474 WeakPolarHBondContact O-CE 3.33Å; E1470-K1474 WeakPolarHBondContact O-CG 3.2Å; E1470-K1474 PolarHBondContact O-N 3Å; E1470-K1474 WeakPolarHBondContact OE2-CE 3.15Å; E1470-K1474 IonicContact OE2-NZ 3.04Å; E1470-K1474 PolarHBondContact OE2-NZ 3.3Å; D1471-K1474 IonicContact OD1-NZ 2.76Å; D1471-K1474 PolarHBondContact OD1-NZ 2.72Å; K1474-H1478 VanDerWaalsContact O-CB 3.22Å; K1474-H1478 WeakPolarHBondContact O-CB 3.24Å; K1474-H1478 PolarHBondContact O-N 3.37Å
1475A63.6Low59.3Low52 Ų52100.8 Ų100.843%0.4354%0.536SS..Hα-helixtrans-66.8-42.9175.900000111.9D1471 D1472 I1473 H1478 V1479D1471-A1475 VanDerWaalsContact O-CB 3.28Å; D1471-A1475 WeakPolarHBondContact O-CB 3.36Å; D1471-A1475 PolarHBondContact O-N 2.94Å; D1472-A1475 PolarHBondContact O-N 2.81Å; I1473-A1475 VanDerWaalsContact C-N 3.27Å; I1473-A1475 PolarHBondContact O-N 2.78Å; A1475-H1478 PolarHBondContact O-N 3.21Å; A1475-V1479 WeakPolarHBondContact O-CG2 3.5Å; A1475-V1479 PolarHBondContact O-N 3.42Å
1476I62.7Low58.7Low84 Ų84103.1 Ų103.143%0.43156%0.555SS.*Hα-helixtrans-66.4-44174.8-68.8166.3000110.5L1468 D1472 I1473 H1478 V1479 I1480L1468-I1476 HydrophobicContact CD2-CD1 3.72Å; D1472-I1476 WeakPolarHBondContact O-CG1 3.37Å; D1472-I1476 PolarHBondContact O-N 2.89Å; I1473-I1476 PolarHBondContact O-N 3.21Å; I1473-I1476 VanDerWaalsContact O-N 3.16Å; I1476-H1478 VanDerWaalsContact C-N 3.32Å; I1476-H1478 PolarHBondContact O-N 2.89Å; I1476-V1479 PolarHBondContact O-N 2.98Å; I1476-I1480 HydrophobicContact CG2-CD1 3.79Å; I1476-I1480 HydrophobicContact CG2-CG1 4.49Å; I1476-I1480 WeakPolarHBondContact O-CB 3.26Å; I1476-I1480 VanDerWaalsContact O-CG1 3.3Å; I1476-I1480 WeakPolarHBondContact O-CG1 3Å; I1476-I1480 PolarHBondContact O-N 3.01Å
1477E63.4Low59.1Low102 Ų102102.5 Ų102.548%0.47756%0.557SS.*Hα-helixtrans-59.4-40.7173.1-73.7-176.2152.200112I1473 I1480 Q1481I1473-E1477 HydrophobicContact CG2-CG 4.37Å; I1473-E1477 WeakPolarHBondContact O-CB 3.43Å; I1473-E1477 WeakPolarHBondContact O-CG 3.37Å; I1473-E1477 PolarHBondContact O-N 2.87Å; E1477-I1480 PolarHBondContact O-N 3.22Å; E1477-Q1481 WeakPolarHBondContact O-CB 3.33Å; E1477-Q1481 VanDerWaalsContact O-CG 3.29Å; E1477-Q1481 WeakPolarHBondContact O-CG 3.45Å; E1477-Q1481 PolarHBondContact O-N 3.26Å
1478H67.4Low59.9Low137 Ų13797.6 Ų97.663%0.63454%0.542SS*.Hα-helixtrans-70.2-34.9178-167.7-74.1000112.2K1474 A1475 I1476 A1482K1474-H1478 VanDerWaalsContact O-CB 3.22Å; K1474-H1478 WeakPolarHBondContact O-CB 3.24Å; K1474-H1478 PolarHBondContact O-N 3.37Å; A1475-H1478 PolarHBondContact O-N 3.21Å; I1476-H1478 VanDerWaalsContact C-N 3.32Å; I1476-H1478 PolarHBondContact O-N 2.89Å; H1478-A1482 VanDerWaalsContact O-CB 3.29Å; H1478-A1482 WeakPolarHBondContact O-CB 3.39Å; H1478-A1482 PolarHBondContact O-N 3.44Å
1479V67.8Low60.5Low100 Ų10097.9 Ų97.961%0.60655%0.545SS*.Hα-helixtrans-66.7-43.1171.4169.10000110.8A1475 I1476 A1482 S1483A1475-V1479 WeakPolarHBondContact O-CG2 3.5Å; A1475-V1479 PolarHBondContact O-N 3.42Å; I1476-V1479 PolarHBondContact O-N 2.98Å; V1479-A1482 PolarHBondContact O-N 2.86Å; V1479-S1483 WeakPolarHBondContact O-CB 3.48Å; V1479-S1483 PolarHBondContact O-N 3.33Å
1480I67.7Low60.8Low73 Ų73100.5 Ų100.537%0.37455%0.551SS.*Hα-helixtrans-64.5-42.5175.6-69.4168.4000110.9I1476 E1477 A1482 S1483 A1484I1476-I1480 HydrophobicContact CG2-CD1 3.79Å; I1476-I1480 HydrophobicContact CG2-CG1 4.49Å; I1476-I1480 WeakPolarHBondContact O-CB 3.26Å; I1476-I1480 VanDerWaalsContact O-CG1 3.3Å; I1476-I1480 WeakPolarHBondContact O-CG1 3Å; I1476-I1480 PolarHBondContact O-N 3.01Å; E1477-I1480 PolarHBondContact O-N 3.22Å; I1480-A1482 VanDerWaalsContact C-N 3.35Å; I1480-A1482 PolarHBondContact O-N 2.89Å; I1480-S1483 CarbonylContact O-C 3.6Å; I1480-S1483 PolarHBondContact O-N 3.45Å; I1480-A1484 VanDerWaalsContact O-CB 3.28Å; I1480-A1484 WeakPolarHBondContact O-CB 2.98Å; I1480-A1484 PolarHBondContact O-N 3.3Å
1481Q64.5Low61.3Low107 Ų10798.1 Ų98.150%0.555%0.545SS..Hα-helixtrans-69-29.3175.9-75.6-175.130.800113.3E1477 K1485E1477-Q1481 WeakPolarHBondContact O-CB 3.33Å; E1477-Q1481 VanDerWaalsContact O-CG 3.29Å; E1477-Q1481 WeakPolarHBondContact O-CG 3.45Å; E1477-Q1481 PolarHBondContact O-N 3.26Å; Q1481-K1485 WeakPolarHBondContact O-CD 3.31Å; Q1481-K1485 WeakPolarHBondContact O-CG 3.41Å; Q1481-K1485 PolarHBondContact O-N 2.7Å
1482A65.9Low61.7Low48 Ų4897 Ų9740%0.39754%0.54SS..Hα-helixtrans-70.2-48171.300000110.6H1478 V1479 I1480 A1484 K1485 T1486H1478-A1482 VanDerWaalsContact O-CB 3.29Å; H1478-A1482 WeakPolarHBondContact O-CB 3.39Å; H1478-A1482 PolarHBondContact O-N 3.44Å; V1479-A1482 PolarHBondContact O-N 2.86Å; I1480-A1482 VanDerWaalsContact C-N 3.35Å; I1480-A1482 PolarHBondContact O-N 2.89Å; A1482-A1484 PolarHBondContact O-N 3.14Å; A1482-K1485 PolarHBondContact O-N 3.17Å; A1482-T1486 PolarHBondContact O-N 3.39Å
1483S57.1Low62Low85 Ų8597.5 Ų97.559%0.59454%0.544SS*.Hα-helixtrans-67.7-10.1176.5-170.50000114.4V1479 I1480 T1486V1479-S1483 WeakPolarHBondContact O-CB 3.48Å; V1479-S1483 PolarHBondContact O-N 3.33Å; I1480-S1483 CarbonylContact O-C 3.6Å; I1480-S1483 PolarHBondContact O-N 3.45Å; S1483-T1486 PolarHBondContact O-OG1 3.02Å
1484A60.2Low62.1Low80 Ų8099.6 Ų99.666%0.66156%0.559SS**THydrogen-bonded Turntrans-103.95.8172.400000113.2I1480 A1482I1480-A1484 VanDerWaalsContact O-CB 3.28Å; I1480-A1484 WeakPolarHBondContact O-CB 2.98Å; I1480-A1484 PolarHBondContact O-N 3.3Å; A1482-A1484 PolarHBondContact O-N 3.14Å
1485K59.3Low62.1Low172 Ų172100.8 Ų100.875%0.74857%0.574SS**THydrogen-bonded Turntrans-113.3-10.4172.2-76.9173-179.3168.30113.1Q1481 A1482Q1481-K1485 WeakPolarHBondContact O-CD 3.31Å; Q1481-K1485 WeakPolarHBondContact O-CG 3.41Å; Q1481-K1485 PolarHBondContact O-N 2.7Å; A1482-K1485 PolarHBondContact O-N 3.17Å
1486T45.2Very low61.9Low169 Ų169105.2 Ų105.2100%1.03759%0.587SS**  trans-93.60164.452.70000110.2A1482 S1483A1482-T1486 PolarHBondContact O-N 3.39Å; S1483-T1486 PolarHBondContact O-OG1 3.02Å

Retrieved 1,486 of 1,486 residues in 1381.1 ms (Link to these results)

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