A0A077Z471_TRITR Loading...

DUF1679 and EcKinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z471, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,844 aa.

>A0A077Z471_TRITR|A0A077Z471
MASALGDTKVKEEHIKSALKFRFGNAEEQIQVLGSERIGLKQGFLSHIFRVQLKSAENGKNDGLPTRMVVKTMEEGHALATLERLGMKFSKKSAAALGMGEMHNSECEAYDILKKEAPYLQLPECYATWKMAMICLEDVSEFSACPSLIEGVSEAQLMRLADFVAELQAWSLNTKSDWKKRIPSAESTFARFCANVEVFASRLPDAIKQFPEQMKAVDLQKVNAILSKKENLFEIFVGHRKIFPDVFVHGDFWAYNIFFALDQNGKTTDKLSAVIDWQLCHQGSFSEDLGRLFMCTVTPSVRRKFLKSAFSRYFDRMKKLAPQYLQQVSFEQAYAFFEKTTAYLNVMFIGAVGPAINTFCNGNEMLAKIFVERAVENYVDAISQFMSYREVMPDVLVHGDYRASNMLFKIDSGTNTASSQLAAIIDWQMAHQGSFAEDICYLMIFSVNIGLRRSKMKNVVRHYFQQMKKLVPSIMDSISFDSVWHIFEKTLPWITLLFAPFIVKVVLPACKNEPAAESLILTSISEEYKDANNAMSLLVLQDLTKVARSADLVNGLTEGQLLNCVEAIAKLQAWSLITKGDWKSFARRESLLDNLFENVDSLITDLQKAVESYQIMPDVLVHGDYKASNILFKVDTGTNTASSQIAAIIDWQLVHQGSFAEDICYLMVFSVNIGLRRSKMKNVVRHYFQQMKTLVPSIMDCISFDSVWHIFEKTLPWTTLFIAPFVVKIILPACKNEPASESIVLTSLAEGCKEANAMSFLVLQDLSKVAGSADIINGLSEDQLLNCVEAIAKLQAWSLITKRDWNSFAPGEYSPDKLSDEADPAVAEMGKVMELYSEYFGSLNLKDIAGFMKDKEAFTAQFMSYREVMPDVLVHGDYRASNILFKVGTGTNTASSQIAAIIDWQMAHQGSFAEDICYLVIFSVNIGLRRSKMKSVVRHYFQQMKTLVPTIMASASFDSVWHVFEKTLMNEKLCGTLLTGETLKSALAEVFPEAAQNLNGVSAVRIGEGKGFLSNILIMPDVLVHGDYRASNILFKVDNETNTTSSQLAAIIDWQTVHQGSFAEDICYLMMFNVNVGLRRSKMKNVVRHYFQQMKTLVPTIMASVSFDSVWHIFEKTLPWLTLFYTPYIFKVSYPVCKNEPTAESTVVSNLAEEENPMVFIAMEDMSPHAETPDLTSGLTKGQLINCAEAVAALQAWSFNTQYEWRKEVPDMLTHADRVFSLLGSIEKQLQASIKKHPEYLGCVDAEKISAALCDKTKTIAAMTAYKKVVPDVLVHGDFWANNILFEVDSKTNSVSDRIAAIIDWQVCHQGSFAEDLARLYSYSVNADVRRSTMKDVFRHYFDKIQMWAPGAMSSVSFEIAYHIFENAVFHNALTLVVYATYFSDFLARDNPTMQAALLRRQTATLPVRILVKIPKQEHIDKLAVTLGSEMTKKFYELFNIRKLARIESTIYRMLSTEEMTEFRNVIPEVFVHGDFWANNILFEVDSKTNSVGDRVAGIIDWQMSHQGSFAADLCRLYCTNVDPDMRRSTMKEVFLCYFKRMQTLAPEKVNSTSFERAYCIFEKTMSYNALIMVMFANQLSNMADGRNSVKFLAIEDLSPRARTTGLMHSLTKGQLIKCAETLAVLQAWSLNTQYEWKKELPDAKVFLDTFEAFLSSVGTDLENSVKKYSTHLKCVDVEKVCSTLGNKDKELMEYRKVIPDVFVHGDFWASNILFEADSKTNSTSDRIAGIIDWQMSHQGSFAEDLSRLYSFNVDPEVRRSTMKEVFRRYFDKMQMLAPRTMNSVSFDRAYGVFERATSYYALMMVTFSKQFIEALAYGNPSTEAVLLNRIAGNYKDAAKFFNF
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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
1M31.7Very low60.7Low239 Ų23984 Ų84100%1.17747%0.472SS*.  0109.80-72.8176.2169.900106.4S3M1-S3 PolarHBondContact O-N 2.82Å
2A39Very low61.9Low100 Ų10081.9 Ų81.983%0.82646%0.456SS*.  trans-57.2125.8176.800000107.4A4A2-A4 PolarHBondContact O-N 3.4Å; A2-A4 VanDerWaalsContact O-N 3.07Å
3S46.4Very low63Low51 Ų5185.5 Ų85.536%0.35747%0.467SS..  trans-51.4120.4176.6165.80000108.8M1 L5 G6M1-S3 PolarHBondContact O-N 2.82Å; S3-L5 PolarHBondContact O-N 3.44Å; S3-L5 PolarHBondContact OG-N 2.73Å; S3-G6 WeakPolarHBondContact CB-O 3.29Å; S3-G6 PolarHBondContact O-N 3.46Å; S3-G6 VanDerWaalsContact O-N 3.14Å; S3-G6 PolarHBondContact OG-N 2.93Å; S3-G6 PolarHBondContact OG-O 3.49Å
4A51.8Low64.2Low24 Ų2483.6 Ų83.620%0.19845%0.453CS..THydrogen-bonded Turntrans-56.9-24179.600000111.9A2 E12 V32 S35A2-A4 PolarHBondContact O-N 3.4Å; A2-A4 VanDerWaalsContact O-N 3.07Å; A4-E12 HydrophobicContact CB-CB 4.2Å; A4-V32 HydrophobicContact CB-CG1 4.14Å; A4-S35 WeakPolarHBondContact O-CB 3.48Å; A4-S35 PolarHBondContact O-OG 3.04Å
5L64.6Low65.1Low1 Ų178.1 Ų78.11%0.00542%0.424CS..THydrogen-bonded Turntrans-114.524.6-179-61.4175.9000113.5S3 V10 I15 F49 V51 V70S3-L5 PolarHBondContact O-N 3.44Å; S3-L5 PolarHBondContact OG-N 2.73Å; L5-V10 HydrophobicContact CD1-CB 4Å; L5-V10 HydrophobicContact CD1-CG1 3.66Å; L5-I15 HydrophobicContact CD1-CD1 3.57Å; L5-I15 HydrophobicContact CD1-CG1 4.33Å; L5-I15 HydrophobicContact CD2-CD1 4.44Å; L5-I15 HydrophobicContact CG-CD1 4.1Å; L5-F49 HydrophobicContact CB-CD1 4.45Å; L5-F49 HydrophobicContact CB-CD2 4.44Å; L5-F49 HydrophobicContact CB-CE1 4.29Å; L5-F49 HydrophobicContact CB-CE2 4.26Å; L5-F49 HydrophobicContact CB-CZ 4.19Å; L5-F49 HydrophobicContact CD2-CB 3.53Å; L5-F49 HydrophobicContact CD2-CD1 3.86Å; L5-F49 HydrophobicContact CD2-CD2 3.89Å; L5-F49 HydrophobicContact CD2-CG 3.5Å; L5-F49 WeakPolarHBondContact O-CE1 3.25Å; L5-F49 WeakPolarHBondContact O-CZ 3.37Å; L5-V51 HydrophobicContact CD2-CG2 3.76Å; L5-V70 HydrophobicContact CD1-CG1 4.27Å
6G65.9Low65.9Low37 Ų3775.7 Ų75.738%0.38141%0.408SS..THydrogen-bonded Turntrans65.2-149.3-178.700000113.7S3 T8S3-G6 WeakPolarHBondContact CB-O 3.29Å; S3-G6 PolarHBondContact O-N 3.46Å; S3-G6 VanDerWaalsContact O-N 3.14Å; S3-G6 PolarHBondContact OG-N 2.93Å; S3-G6 PolarHBondContact OG-O 3.49Å; G6-T8 PolarHBondContact O-N 3.25Å
7D66Low66.6Low169 Ų16975.1 Ų75.190%0.90441%0.411SS*.THydrogen-bonded Turntrans-76.221.2-172-66.1-32.4000115.6
8T74.2Confident67.1Low14 Ų1472.2 Ų72.29%0.08640%0.399CS..SBendtrans-84157-178.372.40000113.5G6 V10 H47 F49 E74G6-T8 PolarHBondContact O-N 3.25Å; T8-V10 PolarHBondContact O-N 2.8Å; T8-V10 VanDerWaalsContact O-N 3.13Å; T8-V10 PolarHBondContact OG1-O 3.45Å; T8-H47 HydrophobicContact CG2-CB 4.44Å; T8-F49 HydrophobicContact CG2-CE2 3.84Å; T8-F49 HydrophobicContact CG2-CZ 3.77Å; T8-E74 WeakPolarHBondContact CA-OE1 3.37Å
9K72.6Confident67.6Low175 Ų17568.4 Ų68.476%0.76138%0.378SS*.SBendtrans-59.5-18.3172.1-70.3-177.7-178.7176.80114.1H14 E74K9-H14 PolarHBondContact O-CE1 3.5Å; K9-H14 VanDerWaalsContact O-CE1 3.32Å; K9-H14 PolarHBondContact O-ND1 2.98Å; K9-E74 PolarHBondContact N-OE1 2.9Å
10V76.2Confident67.8Low3 Ų369.1 Ų69.12%0.01838%0.377CS..  trans-89.2114.9-178.4-177.60000109.8L5 T8 H14 I15 T72 M133L5-V10 HydrophobicContact CD1-CB 4Å; L5-V10 HydrophobicContact CD1-CG1 3.66Å; T8-V10 PolarHBondContact O-N 2.8Å; T8-V10 VanDerWaalsContact O-N 3.13Å; T8-V10 PolarHBondContact OG1-O 3.45Å; V10-H14 HydrophobicContact CG1-CB 4.29Å; V10-I15 HydrophobicContact CG1-CG1 4.15Å; V10-T72 HydrophobicContact CB-CG2 3.98Å; V10-T72 HydrophobicContact CG1-CG2 4.39Å; V10-T72 HydrophobicContact CG2-CG2 3.64Å; V10-M133 HydrophobicContact CG1-CG 4.26Å; V10-M133 HydrophobicContact CG1-SD 3.43Å; V10-M133 WeakPolarHBondContact CG1-SD 3.34Å; V10-M133 HydrophobicContact CG2-CB 4.13Å
11K78.9Confident67.8Low111 Ų11175.5 Ų75.548%0.48340%0.401SS..  trans-97.2164.1176-62-172.4-179.3-179.20111.3E13 H14 I15K11-E13 PolarHBondContact O-N 3.2Å; K11-H14 PolarHBondContact N-ND1 3.18Å; K11-H14 VanDerWaalsContact N-ND1 3.18Å; K11-H14 WeakPolarHBondContact O-CB 3.47Å; K11-H14 PolarHBondContact O-N 3.49Å; K11-I15 PolarHBondContact O-N 3.12Å
12E75.6Confident69.6Low59 Ų5969.6 Ų69.628%0.27637%0.366SS..Hα-helixtrans-51.7-39.3173.3-178.9178.416500112.3A4 H14 I15 K16 V32A4-E12 HydrophobicContact CB-CB 4.2Å; E12-H14 VanDerWaalsContact C-N 3.31Å; E12-H14 PolarHBondContact O-N 3.08Å; E12-I15 WeakPolarHBondContact O-CB 3.32Å; E12-I15 PolarHBondContact O-N 3.22Å; E12-K16 HydrophobicContact CG-CD 4.35Å; E12-K16 WeakPolarHBondContact O-CG 3.46Å; E12-K16 PolarHBondContact O-N 3.48Å; E12-K16 WeakPolarHBondContact OE1-CE 3.06Å; E12-K16 IonicContact OE1-NZ 3.97Å; E12-K16 PolarHBondContact OE1-NZ 3.49Å; E12-V32 HydrophobicContact CG-CB 4.26Å; E12-V32 HydrophobicContact CG-CG2 3.8Å
13E76.7Confident71.2Confident129 Ų12967.7 Ų67.760%0.60334%0.339SS*.Hα-helixtrans-57.5-41.6176.8-53.9168.8-131.500112.1K11 K16 S17K11-E13 PolarHBondContact O-N 3.2Å; E13-K16 PolarHBondContact O-N 2.97Å; E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 2.89Å
14H79.7Confident72.2Confident59 Ų5967 Ų6727%0.27334%0.34SS..Hα-helixtrans-67.2-40.3179.3-57.1157.5000111.3K9 V10 K11 E12 S17 A18 W129K9-H14 PolarHBondContact O-CE1 3.5Å; K9-H14 VanDerWaalsContact O-CE1 3.32Å; K9-H14 PolarHBondContact O-ND1 2.98Å; V10-H14 HydrophobicContact CG1-CB 4.29Å; K11-H14 PolarHBondContact N-ND1 3.18Å; K11-H14 VanDerWaalsContact N-ND1 3.18Å; K11-H14 WeakPolarHBondContact O-CB 3.47Å; K11-H14 PolarHBondContact O-N 3.49Å; E12-H14 VanDerWaalsContact C-N 3.31Å; E12-H14 PolarHBondContact O-N 3.08Å; H14-S17 PolarHBondContact O-N 3.2Å; H14-A18 VanDerWaalsContact O-CB 3.27Å; H14-A18 WeakPolarHBondContact O-CB 3.16Å; H14-A18 PolarHBondContact O-N 2.96Å; H14-W129 HydrophobicContact CB-CZ3 3.99Å; H14-W129 AromaticContact CG-CZ3 3.76Å; H14-W129 AromaticContact ND1-CZ3 3.68Å
15I77.9Confident72.5Confident1 Ų172.2 Ų72.21%0.00537%0.365CS..Hα-helixtrans-63.2-49176-59.8171.3000109.9L5 V10 K11 E12 S17 A18 L19 M68 M133L5-I15 HydrophobicContact CD1-CD1 3.57Å; L5-I15 HydrophobicContact CD1-CG1 4.33Å; L5-I15 HydrophobicContact CD2-CD1 4.44Å; L5-I15 HydrophobicContact CG-CD1 4.1Å; V10-I15 HydrophobicContact CG1-CG1 4.15Å; K11-I15 PolarHBondContact O-N 3.12Å; E12-I15 WeakPolarHBondContact O-CB 3.32Å; E12-I15 PolarHBondContact O-N 3.22Å; I15-S17 PolarHBondContact O-N 3.12Å; I15-A18 PolarHBondContact O-N 3.32Å; I15-L19 HydrophobicContact CG2-CD1 3.92Å; I15-L19 HydrophobicContact CG2-CG 4.41Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 3.18Å; I15-M68 HydrophobicContact CG2-CE 3.29Å; I15-M68 HydrophobicContact CG2-SD 4.43Å; I15-M133 HydrophobicContact CG1-SD 4.01Å
16K77.2Confident72.1Confident39 Ų3972.3 Ų72.317%0.1737%0.366CS..Hα-helixtrans-60.1-45.5178.4-72-177.5-177.8178.90111.7E12 E13 A18 L19 K20 E27 I30E12-K16 HydrophobicContact CG-CD 4.35Å; E12-K16 WeakPolarHBondContact O-CG 3.46Å; E12-K16 PolarHBondContact O-N 3.48Å; E12-K16 WeakPolarHBondContact OE1-CE 3.06Å; E12-K16 IonicContact OE1-NZ 3.97Å; E12-K16 PolarHBondContact OE1-NZ 3.49Å; E13-K16 PolarHBondContact O-N 2.97Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-A18 PolarHBondContact O-N 3.25Å; K16-L19 PolarHBondContact O-N 2.94Å; K16-K20 WeakPolarHBondContact O-CB 3.41Å; K16-K20 PolarHBondContact O-N 3.47Å; K16-E27 HydrophobicContact CB-CG 3.97Å; K16-I30 WeakPolarHBondContact CE-O 3.39Å; K16-I30 PolarHBondContact NZ-O 3.37Å
17S77.6Confident71.4Confident66 Ų6674.6 Ų74.646%0.46237%0.367SS..Hα-helixtrans-62.9-38.2177-175.20000112.4E13 H14 I15 K20E13-S17 WeakPolarHBondContact O-CB 3.48Å; E13-S17 PolarHBondContact O-N 2.89Å; H14-S17 PolarHBondContact O-N 3.2Å; I15-S17 PolarHBondContact O-N 3.12Å; S17-K20 WeakPolarHBondContact O-CB 3.35Å
18A75.9Confident71Confident23 Ų2375.4 Ų75.419%0.1937%0.365CS..Hα-helixtrans-69.7-41.217800000111.7H14 I15 K16 K20 F21 A127 M133H14-A18 VanDerWaalsContact O-CB 3.27Å; H14-A18 WeakPolarHBondContact O-CB 3.16Å; H14-A18 PolarHBondContact O-N 2.96Å; I15-A18 PolarHBondContact O-N 3.32Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-A18 PolarHBondContact O-N 3.25Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-F21 PolarHBondContact O-N 3.47Å; A18-A127 HydrophobicContact CB-CB 3.69Å; A18-M133 HydrophobicContact CB-CE 3.6Å
19L76.3Confident70.5Confident0 Ų078.7 Ų78.70%038%0.379CS..Hα-helixtrans-69.8-29.7175.9-67.1176.3000112.6I15 K16 F21 R22 F23 I30 L53 M68 Y126I15-L19 HydrophobicContact CG2-CD1 3.92Å; I15-L19 HydrophobicContact CG2-CG 4.41Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.32Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 3.18Å; K16-L19 PolarHBondContact O-N 2.94Å; L19-F21 PolarHBondContact O-N 3.36Å; L19-R22 PolarHBondContact O-N 2.84Å; L19-F23 HydrophobicContact CB-CD2 4.24Å; L19-F23 HydrophobicContact CD2-CD2 4.18Å; L19-F23 HydrophobicContact CD2-CE2 3.93Å; L19-F23 PolarHBondContact O-N 3.02Å; L19-I30 HydrophobicContact CB-CD1 4.15Å; L19-I30 HydrophobicContact CD1-CD1 3.95Å; L19-L53 HydrophobicContact CD1-CD1 4.18Å; L19-M68 HydrophobicContact CD1-CE 4.18Å; L19-M68 HydrophobicContact CD1-SD 4.2Å; L19-Y126 HydrophobicContact CD2-CG 4.41Å
20K72.1Confident70.2Confident82 Ų8270.7 Ų70.736%0.35735%0.345SS..Hα-helixtrans-53.7-40.6175.4-172.7-176.7-172.6160.40112.4K16 S17 A18 R22 G24 E27K16-K20 WeakPolarHBondContact O-CB 3.41Å; K16-K20 PolarHBondContact O-N 3.47Å; S17-K20 WeakPolarHBondContact O-CB 3.35Å; A18-K20 VanDerWaalsContact C-N 3.34Å; K20-R22 PolarHBondContact O-N 3.17Å; K20-G24 VanDerWaalsContact CA-O 3.3Å; K20-G24 WeakPolarHBondContact CA-O 3.49Å; K20-G24 WeakPolarHBondContact CG-O 3.33Å; K20-G24 WeakPolarHBondContact O-CA 3.39Å; K20-G24 PolarHBondContact O-N 3.23Å; K20-G24 VanDerWaalsContact O-O 3.08Å; K20-E27 IonicContact NZ-OE2 2.79Å; K20-E27 PolarHBondContact NZ-OE2 3.18Å
21F68.4Low69.9Low204 Ų20475.5 Ų75.590%0.89537%0.367SS*.Hα-helixtrans-61.9-31.2179.4-169.8-97.2000112.6A18 L19A18-F21 PolarHBondContact O-N 3.47Å; L19-F21 PolarHBondContact O-N 3.36Å
22R69.2Low69.7Low115 Ų11571.1 Ų71.143%0.43435%0.349SS..Hα-helixtrans-94.2-42.8-178.2-172.5173.9-170.579.114.9113.5L19 K20 E124 Y126L19-R22 PolarHBondContact O-N 2.84Å; K20-R22 PolarHBondContact O-N 3.17Å; R22-E124 IonicContact CZ-OE1 3.2Å; R22-E124 IonicContact NE-OE1 3.61Å; R22-E124 IonicContact NH2-OE1 2.57Å; R22-E124 PolarHBondContact NH2-OE1 2.92Å; R22-Y126 WeakPolarHBondContact CD-O 3.49Å
23F71.8Confident69.6Low59 Ų5973 Ų7326%0.25936%0.361SS..Hα-helixtrans-106.43.8-171.1-61.2-76.2000113.9L19 A26 G63 L64 Y126L19-F23 HydrophobicContact CB-CD2 4.24Å; L19-F23 HydrophobicContact CD2-CD2 4.18Å; L19-F23 HydrophobicContact CD2-CE2 3.93Å; L19-F23 PolarHBondContact O-N 3.02Å; F23-A26 HydrophobicContact CB-CB 4.31Å; F23-G63 VanDerWaalsContact CE1-O 3.31Å; F23-G63 WeakPolarHBondContact CE1-O 3.35Å; F23-L64 HydrophobicContact CB-CD1 4.29Å; F23-L64 HydrophobicContact CD1-CD1 4.39Å; F23-L64 HydrophobicContact CD2-CD1 4.13Å; F23-L64 HydrophobicContact CG-CD1 4.03Å; F23-Y126 HydrophobicContact CE2-CD1 4.06Å; F23-Y126 AromaticContact CZ-CD1 3.87Å; F23-Y126 HydrophobicContact CZ-CD1 3.87Å; F23-Y126 HydrophobicContact CZ-CE1 4.25Å
24G66.9Low69.7Low38 Ų3868.3 Ų68.339%0.39235%0.347SS..SBendtrans81.6-136.6178.100000113K20 A26K20-G24 VanDerWaalsContact CA-O 3.3Å; K20-G24 WeakPolarHBondContact CA-O 3.49Å; K20-G24 WeakPolarHBondContact CG-O 3.33Å; K20-G24 WeakPolarHBondContact O-CA 3.39Å; K20-G24 PolarHBondContact O-N 3.23Å; K20-G24 VanDerWaalsContact O-O 3.08Å; G24-A26 PolarHBondContact O-N 2.97Å
25N59.4Low69.7Low132 Ų13267.5 Ų67.571%0.70635%0.348SS*.SBendtrans-71.451.7-176.5-89.2-6.8000113.8
26A55.1Low70Confident3 Ų372.5 Ų72.53%0.02537%0.372CS..  trans-76.2-17.5-175.900000114.1F23 G24 E28 Q29 I30F23-A26 HydrophobicContact CB-CB 4.31Å; G24-A26 PolarHBondContact O-N 2.97Å; A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.05Å; A26-Q29 PolarHBondContact O-N 2.8Å; A26-I30 HydrophobicContact CB-CD1 3.34Å; A26-I30 HydrophobicContact CB-CG1 3.79Å; A26-I30 WeakPolarHBondContact O-CB 3.49Å; A26-I30 VanDerWaalsContact O-CG1 3.23Å; A26-I30 WeakPolarHBondContact O-CG1 3.49Å; A26-I30 PolarHBondContact O-N 3.42Å
27E52.1Low70.3Confident86 Ų8674.6 Ų74.640%0.40238%0.378SS..THydrogen-bonded Turntrans-59-42.7-178.2-100.7175.8144.300113.3K16 K20K16-E27 HydrophobicContact CB-CG 3.97Å; K20-E27 IonicContact NZ-OE2 2.79Å; K20-E27 PolarHBondContact NZ-OE2 3.18Å
28E57.8Low70.6Confident186 Ų18673.5 Ų73.587%0.86937%0.367SS*.THydrogen-bonded Turntrans-84.7-18178.4-66.6-176.4172.500112.7A26A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.05Å
29Q62.2Low70.4Confident82 Ų8273.2 Ų73.238%0.38337%0.367SS..THydrogen-bonded Turntrans-101.1-15.9-173.5-63.1-174.21.500114A26 S55 A56A26-Q29 PolarHBondContact O-N 2.8Å; Q29-S55 CarbonylContact O-C 3.5Å; Q29-S55 WeakPolarHBondContact O-CA 3.47Å; Q29-A56 PolarHBondContact O-N 2.91Å
30I67.3Low70.1Confident7 Ų777.6 Ų77.64%0.03639%0.389CS..EExtended strand (participates in β ladder)trans-104.3120.5-178.9-58.7179.3000110.1K16 L19 A26 L53 L64K16-I30 WeakPolarHBondContact CE-O 3.39Å; K16-I30 PolarHBondContact NZ-O 3.37Å; L19-I30 HydrophobicContact CB-CD1 4.15Å; L19-I30 HydrophobicContact CD1-CD1 3.95Å; A26-I30 HydrophobicContact CB-CD1 3.34Å; A26-I30 HydrophobicContact CB-CG1 3.79Å; A26-I30 WeakPolarHBondContact O-CB 3.49Å; A26-I30 VanDerWaalsContact O-CG1 3.23Å; A26-I30 WeakPolarHBondContact O-CG1 3.49Å; A26-I30 PolarHBondContact O-N 3.42Å; I30-L53 HydrophobicContact CG2-CD2 3.77Å; I30-L64 HydrophobicContact CD1-CD1 3.36Å; I30-L64 HydrophobicContact CD1-CD2 4.12Å; I30-L64 HydrophobicContact CD1-CG 4.31Å; I30-L64 HydrophobicContact CG1-CD1 3.73Å; I30-L64 HydrophobicContact CG1-CD2 3.72Å; I30-L64 HydrophobicContact CG1-CG 4.37Å; I30-L64 HydrophobicContact CG2-CD2 4.35Å
31Q70.2Confident69.7Low105 Ų10580.8 Ų80.849%0.49140%0.403SS..EExtended strand (participates in β ladder)trans-105.1123.4167.3-167.6176.21600109.8L33 K54Q31-L33 PolarHBondContact O-N 3.23Å; Q31-K54 PolarHBondContact N-O 3.08Å; Q31-K54 PolarHBondContact O-N 3.39Å
32V73.9Confident69.8Low18 Ų1875.9 Ų75.911%0.10938%0.383CS..EExtended strand (participates in β ladder)trans-77.7110.9167.9178.40000107.5A4 E12 G34 V51 L53A4-V32 HydrophobicContact CB-CG1 4.14Å; E12-V32 HydrophobicContact CG-CB 4.26Å; E12-V32 HydrophobicContact CG-CG2 3.8Å; V32-G34 VanDerWaalsContact C-N 3.34Å; V32-V51 HydrophobicContact CG1-CG1 3.65Å; V32-V51 HydrophobicContact CG2-CG1 4.35Å; V32-L53 HydrophobicContact CG2-CD2 3.77Å
33L74.6Confident69.7Low98 Ų9871.3 Ų71.351%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-74.6-29.3-179.8-67.3-179.3000112.1Q31 Q52 K54Q31-L33 PolarHBondContact O-N 3.23Å; L33-Q52 HydrophobicContact CB-CB 4.2Å; L33-Q52 PolarHBondContact N-O 3.42Å; L33-K54 HydrophobicContact CD1-CB 3.81Å; L33-K54 HydrophobicContact CD1-CD 4.42Å; L33-K54 HydrophobicContact CD1-CG 4.47Å; L33-K54 HydrophobicContact CD2-CB 3.94Å; L33-K54 HydrophobicContact CD2-CD 4.14Å; L33-K54 HydrophobicContact CG-CB 3.79Å
34G77.3Confident70Confident31 Ų3171 Ų7132%0.3237%0.371SS..EExtended strand (participates in β ladder)trans171.4168178.900000111.4V32 Q52V32-G34 VanDerWaalsContact C-N 3.34Å; G34-Q52 PolarHBondContact O-N 3.35Å
35S80.8Confident70.5Confident42 Ų4270.5 Ų70.529%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-130.6151.9166.589.80000111.3A4 R50A4-S35 WeakPolarHBondContact O-CB 3.48Å; A4-S35 PolarHBondContact O-OG 3.04Å; S35-R50 CarbonylContact C-O 3.58Å; S35-R50 VanDerWaalsContact CA-O 3.24Å; S35-R50 WeakPolarHBondContact CA-O 3.31Å
36E84.2Confident71.7Confident107 Ų10764.5 Ų64.550%0.533%0.327SS..EExtended strand (participates in β ladder)trans-122.5126.2174.5179.5-170.7-172.200108.1I38 F49 R50E36-I38 HydrophobicContact CG-CG2 4.27Å; E36-I38 PolarHBondContact O-N 2.81Å; E36-F49 CarbonylContact O-C 3.47Å; E36-F49 WeakPolarHBondContact O-CA 3.48Å; E36-R50 PolarHBondContact N-O 3.14Å; E36-R50 PolarHBondContact O-N 3.3Å; E36-R50 IonicContact OE2-NH1 3.61Å; E36-R50 PolarHBondContact OE2-NH1 2.93Å
37R83.1Confident73.1Confident82 Ų8265.1 Ų65.131%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-76.6116.9173.3-170.8173.4175.6-172.91.3109.5L40 H47 I48 F49 H77R37-L40 HydrophobicContact CB-CD1 4.01Å; R37-L40 HydrophobicContact CG-CD1 3.83Å; R37-L40 HydrophobicContact CG-CG 4.04Å; R37-H47 PolarHBondContact NE-ND1 2.84Å; R37-H47 PolarHBondContact NH1-CE1 3.13Å; R37-H47 PolarHBondContact NH1-ND1 3.3Å; R37-H47 PolarHBondContact NH2-CE1 3.44Å; R37-H47 PolarHBondContact NH2-ND1 3.29Å; R37-I48 WeakPolarHBondContact CA-O 3.4Å; R37-F49 HydrophobicContact CB-CD1 3.88Å; R37-F49 HydrophobicContact CB-CE1 3.81Å; R37-F49 HydrophobicContact CG-CD1 4.23Å; R37-F49 HydrophobicContact CG-CE1 3.97Å; R37-F49 HydrophobicContact CG-CZ 4.42Å; R37-H77 PolarHBondContact NH2-CE1 3.43Å; R37-H77 PolarHBondContact NH2-ND1 2.94Å
38I83.2Confident74.9Confident43 Ų4361.9 Ų61.922%0.22132%0.315CS..EExtended strand (participates in β ladder)trans-105163.5178.558.4169.9000110.7E36 L40 I48 R50 V69E36-I38 HydrophobicContact CG-CG2 4.27Å; E36-I38 PolarHBondContact O-N 2.81Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 3.49Å; I38-I48 HydrophobicContact CD1-CG2 3.74Å; I38-I48 HydrophobicContact CG1-CB 4.03Å; I38-I48 HydrophobicContact CG1-CG2 3.58Å; I38-I48 PolarHBondContact N-O 3.31Å; I38-R50 HydrophobicContact CD1-CB 4.35Å; I38-R50 HydrophobicContact CG2-CB 4.2Å; I38-V69 HydrophobicContact CD1-CG2 4.49Å
39G71.6Confident76.4Confident18 Ų1853.5 Ų53.519%0.18628%0.275CS..SBendtrans73.78.5178.300000115.9K41 Q42 F44G39-K41 PolarHBondContact O-N 2.89Å; G39-Q42 WeakPolarHBondContact O-CB 3.47Å; G39-Q42 PolarHBondContact O-N 3.27Å; G39-Q42 VanDerWaalsContact O-N 3.08Å; G39-F44 WeakPolarHBondContact O-CD2 3.3Å
40L70.2Confident77.6Confident91 Ų9152.4 Ų52.448%0.47627%0.268SS..THydrogen-bonded Turntrans-56.6128.4177.2-90152.2000111.2R37 I38 Q42R37-L40 HydrophobicContact CB-CD1 4.01Å; R37-L40 HydrophobicContact CG-CD1 3.83Å; R37-L40 HydrophobicContact CG-CG 4.04Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 3.49Å; L40-Q42 PolarHBondContact O-N 2.68Å
41K65.1Low78.6Confident150 Ų15052 Ų5265%0.65227%0.266SS*.THydrogen-bonded Turntrans65.313.2-177.7-52.1178.5178178.80115.3G39G39-K41 PolarHBondContact O-N 2.89Å
42Q69.1Low79.3Confident101 Ų10151 Ų5147%0.47226%0.261SS..THydrogen-bonded Turntrans-97.311.3176.2-63.7-177.3-24.500113.5G39 L40 F44 F359G39-Q42 WeakPolarHBondContact O-CB 3.47Å; G39-Q42 PolarHBondContact O-N 3.27Å; G39-Q42 VanDerWaalsContact O-N 3.08Å; L40-Q42 PolarHBondContact O-N 2.68Å; Q42-F44 HydrophobicContact CB-CD2 4Å; Q42-F44 HydrophobicContact CB-CE2 3.85Å; Q42-F359 WeakPolarHBondContact O-CE1 3.49Å
43G68.1Low79.7Confident19 Ų1950.5 Ų50.520%0.19626%0.258CS..THydrogen-bonded Turntrans92.8-1.8175.400000116.5L45G43-L45 PolarHBondContact O-N 3.27Å
44F77Confident79.6Confident53 Ų5350.5 Ų50.523%0.23225%0.253CS..  trans-62.3121.7179.4-65.8-76.7000111.9G39 Q42 S46 I48 H77G39-F44 WeakPolarHBondContact O-CD2 3.3Å; Q42-F44 HydrophobicContact CB-CD2 4Å; Q42-F44 HydrophobicContact CB-CE2 3.85Å; F44-S46 PolarHBondContact O-N 2.84Å; F44-I48 HydrophobicContact CB-CD1 4.22Å; F44-I48 HydrophobicContact CB-CG1 4.49Å; F44-I48 HydrophobicContact CD1-CD1 3.38Å; F44-I48 HydrophobicContact CD1-CG1 4.46Å; F44-I48 HydrophobicContact CD2-CD1 4.17Å; F44-I48 HydrophobicContact CE1-CD1 3.65Å; F44-I48 HydrophobicContact CE2-CD1 4.39Å; F44-I48 HydrophobicContact CG-CD1 3.65Å; F44-I48 HydrophobicContact CG-CG1 4.38Å; F44-I48 HydrophobicContact CZ-CD1 4.15Å; F44-H77 PolarHBondContact O-NE2 3.45Å
45L77.7Confident79.1Confident26 Ų2650 Ų5014%0.13625%0.245CC..SBendtrans-68.9-20.3175-66.2178.1000113G43 H77 T81 L82 M99G43-L45 PolarHBondContact O-N 3.27Å; L45-H77 PolarHBondContact O-CD2 2.95Å; L45-H77 VanDerWaalsContact O-CD2 3.29Å; L45-T81 HydrophobicContact CD2-CG2 4.27Å; L45-L82 HydrophobicContact CD2-CD2 3.76Å; L45-L82 HydrophobicContact CD2-CG 3.84Å; L45-M99 HydrophobicContact CB-CE 3.72Å; L45-M99 HydrophobicContact CD1-CE 3.65Å; L45-M99 HydrophobicContact CD1-SD 4.25Å; L45-M99 HydrophobicContact CD2-CE 4.29Å; L45-M99 HydrophobicContact CG-CE 4.08Å
46S84.3Confident78.2Confident7 Ų749.7 Ų49.75%0.04925%0.245CC..SBendtrans-104.2158174.7-62.40000110.7F44 T72 H77F44-S46 PolarHBondContact O-N 2.84Å; S46-T72 CarbonylContact C-O 3.58Å; S46-T72 WeakPolarHBondContact CA-O 3.46Å; S46-T72 VanDerWaalsContact CB-O 3.26Å; S46-T72 WeakPolarHBondContact CB-O 3.19Å; S46-H77 PolarHBondContact O-NE2 3.04Å
47H85.6Confident76.7Confident15 Ų1553.2 Ų53.27%0.06926%0.262CS..EExtended strand (participates in β ladder)trans-75.7135.2162.6-67.1-117.1000109T8 R37 F49 K71 T72 E74 H77T8-H47 HydrophobicContact CG2-CB 4.44Å; R37-H47 PolarHBondContact NE-ND1 2.84Å; R37-H47 PolarHBondContact NH1-CE1 3.13Å; R37-H47 PolarHBondContact NH1-ND1 3.3Å; R37-H47 PolarHBondContact NH2-CE1 3.44Å; R37-H47 PolarHBondContact NH2-ND1 3.29Å; H47-F49 HydrophobicContact CB-CD2 4.21Å; H47-F49 HydrophobicContact CB-CE2 3.47Å; H47-F49 VanDerWaalsContact CB-CE2 3.47Å; H47-F49 HydrophobicContact CB-CZ 4.07Å; H47-K71 CarbonylContact O-C 3.55Å; H47-K71 WeakPolarHBondContact O-CA 3.16Å; H47-T72 WeakPolarHBondContact CB-OG1 3.31Å; H47-T72 PolarHBondContact N-O 3.09Å; H47-T72 PolarHBondContact O-N 3.29Å; H47-E74 IonicContact NE2-OE2 3.83Å; H47-H77 AromaticContact CD2-CD2 3.61Å; H47-H77 AromaticContact CD2-CG 3.52Å; H47-H77 AromaticContact CE1-CG 3.99Å; H47-H77 WeakPolarHBondContact NE2-CB 3.47Å; H47-H77 AromaticContact NE2-CD2 3.81Å; H47-H77 AromaticContact NE2-CG 3.2Å; H47-H77 AromaticContact NE2-ND1 3.79Å
48I88.7Confident75.3Confident19 Ų1957.2 Ų57.210%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-120.3126.5175.6-51.7-170.8000108.1R37 I38 F44 V69 K71R37-I48 WeakPolarHBondContact CA-O 3.4Å; I38-I48 HydrophobicContact CD1-CG2 3.74Å; I38-I48 HydrophobicContact CG1-CB 4.03Å; I38-I48 HydrophobicContact CG1-CG2 3.58Å; I38-I48 PolarHBondContact N-O 3.31Å; F44-I48 HydrophobicContact CB-CD1 4.22Å; F44-I48 HydrophobicContact CB-CG1 4.49Å; F44-I48 HydrophobicContact CD1-CD1 3.38Å; F44-I48 HydrophobicContact CD1-CG1 4.46Å; F44-I48 HydrophobicContact CD2-CD1 4.17Å; F44-I48 HydrophobicContact CE1-CD1 3.65Å; F44-I48 HydrophobicContact CE2-CD1 4.39Å; F44-I48 HydrophobicContact CG-CD1 3.65Å; F44-I48 HydrophobicContact CG-CG1 4.38Å; F44-I48 HydrophobicContact CZ-CD1 4.15Å; I48-V69 HydrophobicContact CG2-CG1 3.47Å; I48-V69 VanDerWaalsContact CG2-CG1 3.47Å; I48-K71 HydrophobicContact CG1-CG 4.42Å
49F89.2Confident73.7Confident9 Ų955.8 Ų55.84%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-122.1132.2179.2-62.2-90.6000110.2L5 T8 E36 R37 H47 V51 V69 V70L5-F49 HydrophobicContact CB-CD1 4.45Å; L5-F49 HydrophobicContact CB-CD2 4.44Å; L5-F49 HydrophobicContact CB-CE1 4.29Å; L5-F49 HydrophobicContact CB-CE2 4.26Å; L5-F49 HydrophobicContact CB-CZ 4.19Å; L5-F49 HydrophobicContact CD2-CB 3.53Å; L5-F49 HydrophobicContact CD2-CD1 3.86Å; L5-F49 HydrophobicContact CD2-CD2 3.89Å; L5-F49 HydrophobicContact CD2-CG 3.5Å; L5-F49 WeakPolarHBondContact O-CE1 3.25Å; L5-F49 WeakPolarHBondContact O-CZ 3.37Å; T8-F49 HydrophobicContact CG2-CE2 3.84Å; T8-F49 HydrophobicContact CG2-CZ 3.77Å; E36-F49 CarbonylContact O-C 3.47Å; E36-F49 WeakPolarHBondContact O-CA 3.48Å; R37-F49 HydrophobicContact CB-CD1 3.88Å; R37-F49 HydrophobicContact CB-CE1 3.81Å; R37-F49 HydrophobicContact CG-CD1 4.23Å; R37-F49 HydrophobicContact CG-CE1 3.97Å; R37-F49 HydrophobicContact CG-CZ 4.42Å; H47-F49 HydrophobicContact CB-CD2 4.21Å; H47-F49 HydrophobicContact CB-CE2 3.47Å; H47-F49 VanDerWaalsContact CB-CE2 3.47Å; H47-F49 HydrophobicContact CB-CZ 4.07Å; F49-V51 HydrophobicContact CB-CG2 4.29Å; F49-V69 CarbonylContact O-C 3.48Å; F49-V69 WeakPolarHBondContact O-CA 3.46Å; F49-V70 PolarHBondContact N-O 2.95Å; F49-V70 PolarHBondContact O-N 3.48Å
50R88.9Confident72.7Confident59 Ų5963.1 Ų63.122%0.22331%0.312CS..EExtended strand (participates in β ladder)trans-86.5121162.2-178.1-175.6-73.4141.8-7.1108S35 E36 I38 D138 S140S35-R50 CarbonylContact C-O 3.58Å; S35-R50 VanDerWaalsContact CA-O 3.24Å; S35-R50 WeakPolarHBondContact CA-O 3.31Å; E36-R50 PolarHBondContact N-O 3.14Å; E36-R50 PolarHBondContact O-N 3.3Å; E36-R50 IonicContact OE2-NH1 3.61Å; E36-R50 PolarHBondContact OE2-NH1 2.93Å; I38-R50 HydrophobicContact CD1-CB 4.35Å; I38-R50 HydrophobicContact CG2-CB 4.2Å; R50-D138 WeakPolarHBondContact CD-OD2 3.17Å; R50-D138 WeakPolarHBondContact CG-OD2 3.42Å; R50-D138 IonicContact CZ-OD2 3.79Å; R50-D138 IonicContact NE-OD2 3.51Å; R50-D138 PolarHBondContact NE-OD2 2.97Å; R50-S140 PolarHBondContact NH2-OG 3.32Å
51V88.7Confident71.7Confident0 Ų063.6 Ų63.60%032%0.315CS..EExtended strand (participates in β ladder)trans-112127.2-177.4-175.80000109.4L5 V32 F49 L53 R67 M68 V70L5-V51 HydrophobicContact CD2-CG2 3.76Å; V32-V51 HydrophobicContact CG1-CG1 3.65Å; V32-V51 HydrophobicContact CG2-CG1 4.35Å; F49-V51 HydrophobicContact CB-CG2 4.29Å; V51-L53 HydrophobicContact CG1-CD2 4.01Å; V51-R67 WeakPolarHBondContact O-CA 3.23Å; V51-M68 HydrophobicContact CB-CE 3.77Å; V51-M68 HydrophobicContact CB-CG 3.96Å; V51-M68 HydrophobicContact CG1-CE 3.65Å; V51-M68 HydrophobicContact CG2-CE 4.29Å; V51-M68 PolarHBondContact N-O 3.26Å; V51-M68 PolarHBondContact O-N 2.67Å; V51-V70 HydrophobicContact CB-CG2 4.41Å; V51-V70 HydrophobicContact CG2-CB 4.21Å; V51-V70 HydrophobicContact CG2-CG2 3.6Å
52Q85Confident71.4Confident83 Ų8362.8 Ų62.839%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-93.4130.5174-69.4-173.2000110.5L33 G34 R67L33-Q52 HydrophobicContact CB-CB 4.2Å; L33-Q52 PolarHBondContact N-O 3.42Å; G34-Q52 PolarHBondContact O-N 3.35Å; Q52-R67 HydrophobicContact CG-CG 4.35Å
53L81.5Confident71.2Confident8 Ų860.8 Ų60.84%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-118.9144-177.6-59.9178000110.2L19 I30 V32 V51 L64 P65 T66 M68L19-L53 HydrophobicContact CD1-CD1 4.18Å; I30-L53 HydrophobicContact CG2-CD2 3.77Å; V32-L53 HydrophobicContact CG2-CD2 3.77Å; V51-L53 HydrophobicContact CG1-CD2 4.01Å; L53-L64 HydrophobicContact CB-CD2 4.42Å; L53-P65 WeakPolarHBondContact CB-O 3.37Å; L53-P65 HydrophobicContact CD1-CG 4.25Å; L53-P65 WeakPolarHBondContact CD1-O 3.47Å; L53-T66 PolarHBondContact N-O 3.01Å; L53-M68 HydrophobicContact CD1-CE 3.78Å; L53-M68 HydrophobicContact CD1-CG 4.23Å; L53-M68 HydrophobicContact CD1-SD 3.9Å; L53-M68 HydrophobicContact CD2-CE 3.83Å; L53-M68 HydrophobicContact CG-CE 4.08Å
54K73.2Confident71.5Confident97 Ų9761.3 Ų61.342%0.42232%0.323SS..EExtended strand (participates in β ladder)trans-129.3137.6170.7-165.7-172.8172.7-171.60109.4Q31 L33Q31-K54 PolarHBondContact N-O 3.08Å; Q31-K54 PolarHBondContact O-N 3.39Å; L33-K54 HydrophobicContact CD1-CB 3.81Å; L33-K54 HydrophobicContact CD1-CD 4.42Å; L33-K54 HydrophobicContact CD1-CG 4.47Å; L33-K54 HydrophobicContact CD2-CB 3.94Å; L33-K54 HydrophobicContact CD2-CD 4.14Å; L33-K54 HydrophobicContact CG-CB 3.79Å
55S66.1Low71.4Confident21 Ų2159.5 Ų59.515%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-69.2134.4165.8-173.90000109.6Q29 G59 N61Q29-S55 CarbonylContact O-C 3.5Å; Q29-S55 WeakPolarHBondContact O-CA 3.47Å; S55-G59 PolarHBondContact OG-O 3.16Å; S55-N61 VanDerWaalsContact CB-OD1 3.28Å; S55-N61 WeakPolarHBondContact CB-OD1 3.46Å
56A61.1Low71.5Confident36 Ų3662.7 Ų62.730%0.29834%0.337SS..  trans-57.6146.1169.300000109.3Q29 N58 G59Q29-A56 PolarHBondContact O-N 2.91Å; A56-N58 PolarHBondContact O-N 3.4Å; A56-G59 PolarHBondContact O-N 3.1Å
57E54.4Low71.6Confident180 Ų18067 Ų6784%0.84135%0.352SS*.THydrogen-bonded Turntrans-55.4-15-166.5-69.7-179.216200115.8
58N53.1Low71.7Confident166 Ų16666.3 Ų66.389%0.88835%0.349SS*.THydrogen-bonded Turntrans-111.41.2178-66.4-24.4000114.7A56A56-N58 PolarHBondContact O-N 3.4Å
59G49.1Very low71.9Confident14 Ų1466.5 Ų66.514%0.14435%0.351CS..SBendtrans-83.9124.4179.300000111.5S55 A56 N61S55-G59 PolarHBondContact OG-O 3.16Å; A56-G59 PolarHBondContact O-N 3.1Å; G59-N61 PolarHBondContact O-N 2.85Å; G59-N61 VanDerWaalsContact O-N 3.09Å
60K49.8Very low71.9Confident171 Ų17166.1 Ų66.174%0.74335%0.349SS*.  trans-53119.3166.8-82.4-173.9174.3-173.90108.3D62K60-D62 PolarHBondContact O-N 3.14Å
61N51Low72Confident101 Ų10163.9 Ų63.954%0.5434%0.341SS..  trans-75.330.3-175.3-145.723.1000112.4S55 G59 G63S55-N61 VanDerWaalsContact CB-OD1 3.28Å; S55-N61 WeakPolarHBondContact CB-OD1 3.46Å; G59-N61 PolarHBondContact O-N 2.85Å; G59-N61 VanDerWaalsContact O-N 3.09Å; N61-G63 VanDerWaalsContact C-N 3.3Å; N61-G63 PolarHBondContact O-N 3.1Å
62D58.6Low71.9Confident134 Ų13464 Ų6472%0.71734%0.342SS*.SBendtrans-74.879.7-167.8-72.4-13.6000110.3K60K60-D62 PolarHBondContact O-N 3.14Å
63G65.2Low71.7Confident59 Ų5961.1 Ų61.161%0.60833%0.329SS*.SBendtrans935.5167.400000116.5F23 N61F23-G63 VanDerWaalsContact CE1-O 3.31Å; F23-G63 WeakPolarHBondContact CE1-O 3.35Å; N61-G63 VanDerWaalsContact C-N 3.3Å; N61-G63 PolarHBondContact O-N 3.1Å
64L72.6Confident71.6Confident30 Ų3062.8 Ų62.816%0.15734%0.336CS..  trans-68.5127.5174.2-160.388.2000110.4F23 I30 L53F23-L64 HydrophobicContact CB-CD1 4.29Å; F23-L64 HydrophobicContact CD1-CD1 4.39Å; F23-L64 HydrophobicContact CD2-CD1 4.13Å; F23-L64 HydrophobicContact CG-CD1 4.03Å; I30-L64 HydrophobicContact CD1-CD1 3.36Å; I30-L64 HydrophobicContact CD1-CD2 4.12Å; I30-L64 HydrophobicContact CD1-CG 4.31Å; I30-L64 HydrophobicContact CG1-CD1 3.73Å; I30-L64 HydrophobicContact CG1-CD2 3.72Å; I30-L64 HydrophobicContact CG1-CG 4.37Å; I30-L64 HydrophobicContact CG2-CD2 4.35Å; L53-L64 HydrophobicContact CB-CD2 4.42Å
65P75.6Confident71.6Confident14 Ų1464.2 Ų64.29%0.09134%0.344CS..  trans-65.6137.5175.326.3-34.7000111.1L53 R67 Y126L53-P65 WeakPolarHBondContact CB-O 3.37Å; L53-P65 HydrophobicContact CD1-CG 4.25Å; L53-P65 WeakPolarHBondContact CD1-O 3.47Å; P65-R67 VanDerWaalsContact C-N 3.32Å; P65-Y126 HydrophobicContact CB-CE1 4.36Å; P65-Y126 HydrophobicContact CB-CE2 4.1Å; P65-Y126 WeakPolarHBondContact CB-OH 3.45Å; P65-Y126 HydrophobicContact CG-CD1 4.38Å; P65-Y126 HydrophobicContact CG-CD2 4.31Å; P65-Y126 HydrophobicContact CG-CE1 3.92Å; P65-Y126 HydrophobicContact CG-CE2 3.8Å
66T79.9Confident72.1Confident94 Ų9465.7 Ų65.758%0.57736%0.363SS*.SBendtrans-76.7-23.5172.152.60000112.1L53L53-T66 PolarHBondContact N-O 3.01Å
67R86.4Confident72.8Confident98 Ų9865.1 Ų65.137%0.3735%0.354SS..EExtended strand (participates in β ladder)trans-140.6141.7177.5-70.9-179.2174.8169.1-2.2110.6V51 Q52 P65 D138 E141V51-R67 WeakPolarHBondContact O-CA 3.23Å; Q52-R67 HydrophobicContact CG-CG 4.35Å; P65-R67 VanDerWaalsContact C-N 3.32Å; R67-D138 HydrophobicContact CB-CB 4.14Å; R67-E141 IonicContact NH1-OE2 2.68Å
68M88.3Confident73.8Confident0 Ų056.6 Ų56.60%031%0.314CS..EExtended strand (participates in β ladder)trans-144.2159.1173.266.5176.5170.200111.2I15 L19 V51 L53 V70 Y126 C135 L136I15-M68 HydrophobicContact CG2-CE 3.29Å; I15-M68 HydrophobicContact CG2-SD 4.43Å; L19-M68 HydrophobicContact CD1-CE 4.18Å; L19-M68 HydrophobicContact CD1-SD 4.2Å; V51-M68 HydrophobicContact CB-CE 3.77Å; V51-M68 HydrophobicContact CB-CG 3.96Å; V51-M68 HydrophobicContact CG1-CE 3.65Å; V51-M68 HydrophobicContact CG2-CE 4.29Å; V51-M68 PolarHBondContact N-O 3.26Å; V51-M68 PolarHBondContact O-N 2.67Å; L53-M68 HydrophobicContact CD1-CE 3.78Å; L53-M68 HydrophobicContact CD1-CG 4.23Å; L53-M68 HydrophobicContact CD1-SD 3.9Å; L53-M68 HydrophobicContact CD2-CE 3.83Å; L53-M68 HydrophobicContact CG-CE 4.08Å; M68-V70 HydrophobicContact CE-CG2 3.96Å; M68-V70 HydrophobicContact CG-CG2 4.22Å; M68-V70 HydrophobicContact SD-CG2 4.14Å; M68-Y126 HydrophobicContact CB-CD2 4.13Å; M68-Y126 HydrophobicContact CB-CE2 3.9Å; M68-C135 HydrophobicContact SD-CB 4.49Å; M68-L136 CarbonylContact C-O 3.5Å; M68-L136 WeakPolarHBondContact CA-O 3.37Å; M68-L136 WeakPolarHBondContact CB-O 3.17Å
69V91.6Very high74.8Confident23 Ų2350.1 Ų50.114%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-102126.5171.6176.20000109.2I38 I48 F49 C135 L136 D138I38-V69 HydrophobicContact CD1-CG2 4.49Å; I48-V69 HydrophobicContact CG2-CG1 3.47Å; I48-V69 VanDerWaalsContact CG2-CG1 3.47Å; F49-V69 CarbonylContact O-C 3.48Å; F49-V69 WeakPolarHBondContact O-CA 3.46Å; V69-C135 CarbonylContact O-C 3.58Å; V69-C135 WeakPolarHBondContact O-CA 3.33Å; V69-L136 PolarHBondContact N-O 3.42Å; V69-L136 PolarHBondContact O-N 3.01Å; V69-D138 HydrophobicContact CG2-CB 3.9Å
70V89.7Confident76.1Confident0 Ų051 Ų510%029%0.285CS..EExtended strand (participates in β ladder)trans-111.7113.1175.5-176.60000108.6L5 F49 V51 M68 T72 M133 I134L5-V70 HydrophobicContact CD1-CG1 4.27Å; F49-V70 PolarHBondContact N-O 2.95Å; F49-V70 PolarHBondContact O-N 3.48Å; V51-V70 HydrophobicContact CB-CG2 4.41Å; V51-V70 HydrophobicContact CG2-CB 4.21Å; V51-V70 HydrophobicContact CG2-CG2 3.6Å; M68-V70 HydrophobicContact CE-CG2 3.96Å; M68-V70 HydrophobicContact CG-CG2 4.22Å; M68-V70 HydrophobicContact SD-CG2 4.14Å; V70-T72 HydrophobicContact CG1-CG2 3.78Å; V70-M133 HydrophobicContact CG1-CG 3.66Å; V70-M133 HydrophobicContact CG1-SD 3.89Å; V70-I134 CarbonylContact C-O 3.6Å; V70-I134 WeakPolarHBondContact CA-O 3.23Å
71K91.1Very high77.2Confident13 Ų1343.3 Ų43.36%0.05725%0.253CS..EExtended strand (participates in β ladder)trans-96.3122.8174.2-174.9176.1-176.5179.60108.8H47 I48 E106 M133 I134 D276H47-K71 CarbonylContact O-C 3.55Å; H47-K71 WeakPolarHBondContact O-CA 3.16Å; I48-K71 HydrophobicContact CG1-CG 4.42Å; K71-E106 VanDerWaalsContact CE-OE2 3.24Å; K71-E106 WeakPolarHBondContact CE-OE2 3.31Å; K71-E106 IonicContact NZ-OE1 2.79Å; K71-E106 PolarHBondContact NZ-OE1 3.1Å; K71-E106 IonicContact NZ-OE2 2.82Å; K71-E106 PolarHBondContact NZ-OE2 3.3Å; K71-M133 CarbonylContact O-C 3.3Å; K71-M133 WeakPolarHBondContact O-CA 3.41Å; K71-I134 HydrophobicContact CB-CB 4.4Å; K71-I134 PolarHBondContact N-O 3.3Å; K71-I134 PolarHBondContact O-N 3.12Å; K71-D276 IonicContact NZ-OD1 3.64Å; K71-D276 PolarHBondContact NZ-OD1 3.18Å; K71-D276 IonicContact NZ-OD2 2.84Å
72T86.9Confident78.2Confident2 Ų239 Ų391%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-125.4137.7-179.776.40000111.2V10 S46 H47 V70 A132 M133V10-T72 HydrophobicContact CB-CG2 3.98Å; V10-T72 HydrophobicContact CG1-CG2 4.39Å; V10-T72 HydrophobicContact CG2-CG2 3.64Å; S46-T72 CarbonylContact C-O 3.58Å; S46-T72 WeakPolarHBondContact CA-O 3.46Å; S46-T72 VanDerWaalsContact CB-O 3.26Å; S46-T72 WeakPolarHBondContact CB-O 3.19Å; H47-T72 WeakPolarHBondContact CB-OG1 3.31Å; H47-T72 PolarHBondContact N-O 3.09Å; H47-T72 PolarHBondContact O-N 3.29Å; V70-T72 HydrophobicContact CG1-CG2 3.78Å; T72-A132 VanDerWaalsContact CA-O 3.27Å; T72-A132 WeakPolarHBondContact CA-O 3.16Å; T72-M133 HydrophobicContact CG2-CG 4.42Å
73M80Confident78.9Confident22 Ų2237.7 Ų37.711%0.10822%0.219CC..  trans-99129.9179.3171.6173.7-85.300111M99 H103 A132M73-M99 HydrophobicContact CE-CB 4.03Å; M73-M99 HydrophobicContact CE-CE 4.05Å; M73-M99 WeakPolarHBondContact CE-O 3.42Å; M73-M99 HydrophobicContact SD-CB 4.32Å; M73-H103 HydrophobicContact CB-CB 4.24Å; M73-H103 HydrophobicContact CE-CB 3.47Å; M73-H103 VanDerWaalsContact CE-CB 3.47Å; M73-H103 HydrophobicContact SD-CB 3.56Å; M73-H103 VanDerWaalsContact SD-CB 3.56Å; M73-A132 PolarHBondContact N-O 3.28Å
74E79.1Confident78.9Confident44 Ų4441.6 Ų41.621%0.20622%0.216CC..  trans-133.9124.6165.1-65.5-162.3154.600110.2T8 K9 H47 G76 H77 A78T8-E74 WeakPolarHBondContact CA-OE1 3.37Å; K9-E74 PolarHBondContact N-OE1 2.9Å; H47-E74 IonicContact NE2-OE2 3.83Å; E74-G76 PolarHBondContact O-N 2.8Å; E74-H77 PolarHBondContact O-N 3.11Å; E74-H77 VanDerWaalsContact O-N 3.13Å; E74-A78 PolarHBondContact O-N 3.34Å
75E73.2Confident78.4Confident126 Ų12641.3 Ų41.359%0.58921%0.214SC*.Hα-helixtrans-54.9-38-178.8-71-179.9170.800112.4A78 L79E75-A78 PolarHBondContact O-N 3.5Å; E75-L79 WeakPolarHBondContact O-CB 3.36Å; E75-L79 WeakPolarHBondContact O-CD1 3.5Å; E75-L79 PolarHBondContact O-N 2.94Å
76G76.8Confident77.5Confident52 Ų5242 Ų4254%0.53622%0.224SC..Hα-helixtrans-63.3-42.4179.100000113.3E74 A80E74-G76 PolarHBondContact O-N 2.8Å; G76-A80 VanDerWaalsContact O-CB 3.27Å; G76-A80 WeakPolarHBondContact O-CB 3.22Å; G76-A80 PolarHBondContact O-N 3.48Å
77H77.3Confident76.6Confident25 Ų2538.3 Ų38.312%0.11620%0.201CC..Hα-helixtrans-71.9-38.2176.4169.276.3000112R37 F44 L45 S46 H47 E74 A80 T81R37-H77 PolarHBondContact NH2-CE1 3.43Å; R37-H77 PolarHBondContact NH2-ND1 2.94Å; F44-H77 PolarHBondContact O-NE2 3.45Å; L45-H77 PolarHBondContact O-CD2 2.95Å; L45-H77 VanDerWaalsContact O-CD2 3.29Å; S46-H77 PolarHBondContact O-NE2 3.04Å; H47-H77 AromaticContact CD2-CD2 3.61Å; H47-H77 AromaticContact CD2-CG 3.52Å; H47-H77 AromaticContact CE1-CG 3.99Å; H47-H77 WeakPolarHBondContact NE2-CB 3.47Å; H47-H77 AromaticContact NE2-CD2 3.81Å; H47-H77 AromaticContact NE2-CG 3.2Å; H47-H77 AromaticContact NE2-ND1 3.79Å; E74-H77 PolarHBondContact O-N 3.11Å; E74-H77 VanDerWaalsContact O-N 3.13Å; H77-A80 PolarHBondContact O-N 2.84Å; H77-T81 PolarHBondContact CE1-OG1 3.37Å; H77-T81 VanDerWaalsContact CE1-OG1 3.29Å; H77-T81 PolarHBondContact NE2-OG1 2.86Å; H77-T81 WeakPolarHBondContact O-CB 3.48Å; H77-T81 PolarHBondContact O-N 3.28Å; H77-T81 PolarHBondContact O-OG1 2.79Å
78A74.9Confident75.2Confident0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-58.4-52.3173.200000111.4E74 E75 A80 T81 L82 M99E74-A78 PolarHBondContact O-N 3.34Å; E75-A78 PolarHBondContact O-N 3.5Å; A78-A80 PolarHBondContact O-N 3.11Å; A78-T81 WeakPolarHBondContact O-CB 3.4Å; A78-T81 PolarHBondContact O-N 3.38Å; A78-T81 VanDerWaalsContact O-N 3.13Å; A78-L82 VanDerWaalsContact O-CG 3.3Å; A78-L82 WeakPolarHBondContact O-CG 3.39Å; A78-L82 PolarHBondContact O-N 3.02Å; A78-M99 HydrophobicContact CB-CE 3.38Å; A78-M99 HydrophobicContact CB-CG 4.5Å; A78-M99 HydrophobicContact CB-SD 4.38Å
79L74.6Confident73.7Confident30 Ų3044.3 Ų44.316%0.15723%0.229CC..Hα-helixtrans-57.2-48.9174.9-96.4127.7000111.7E75 T81 L82 E83 F89 A94E75-L79 WeakPolarHBondContact O-CB 3.36Å; E75-L79 WeakPolarHBondContact O-CD1 3.5Å; E75-L79 PolarHBondContact O-N 2.94Å; L79-T81 PolarHBondContact O-N 2.94Å; L79-L82 PolarHBondContact O-N 3.1Å; L79-E83 WeakPolarHBondContact O-CB 3.49Å; L79-E83 WeakPolarHBondContact O-CG 3.5Å; L79-E83 PolarHBondContact O-N 2.79Å; L79-F89 HydrophobicContact CD2-CB 4.4Å; L79-A94 HydrophobicContact CD1-CB 3.64Å; L79-A94 HydrophobicContact CD2-CB 4.46Å; L79-A94 HydrophobicContact CG-CB 4.27Å
80A75.7Confident71.8Confident33 Ų3346 Ų4627%0.27324%0.242SC..Hα-helixtrans-63.9-26.8179.200000112.8G76 H77 A78 R84G76-A80 VanDerWaalsContact O-CB 3.27Å; G76-A80 WeakPolarHBondContact O-CB 3.22Å; G76-A80 PolarHBondContact O-N 3.48Å; H77-A80 PolarHBondContact O-N 2.84Å; A78-A80 PolarHBondContact O-N 3.11Å; A80-R84 WeakPolarHBondContact O-CB 3.47Å; A80-R84 WeakPolarHBondContact O-CG 3.46Å; A80-R84 PolarHBondContact O-N 3.25Å; A80-R84 PolarHBondContact O-NE 2.97Å
81T72.8Confident69.9Low9 Ų955.1 Ų55.16%0.05528%0.282CS..Hα-helixtrans-74.7-52.7173.2-58.40000109.3L45 H77 A78 L79 E83 R84 L85L45-T81 HydrophobicContact CD2-CG2 4.27Å; H77-T81 PolarHBondContact CE1-OG1 3.37Å; H77-T81 VanDerWaalsContact CE1-OG1 3.29Å; H77-T81 PolarHBondContact NE2-OG1 2.86Å; H77-T81 WeakPolarHBondContact O-CB 3.48Å; H77-T81 PolarHBondContact O-N 3.28Å; H77-T81 PolarHBondContact O-OG1 2.79Å; A78-T81 WeakPolarHBondContact O-CB 3.4Å; A78-T81 PolarHBondContact O-N 3.38Å; A78-T81 VanDerWaalsContact O-N 3.13Å; L79-T81 PolarHBondContact O-N 2.94Å; T81-E83 VanDerWaalsContact C-N 3.26Å; T81-E83 PolarHBondContact O-N 3.3Å; T81-R84 CarbonylContact O-C 3.55Å; T81-R84 WeakPolarHBondContact O-CA 3.46Å; T81-R84 WeakPolarHBondContact O-CB 3.21Å; T81-R84 PolarHBondContact O-N 3.48Å; T81-L85 HydrophobicContact CG2-CD1 4.38Å; T81-L85 HydrophobicContact CG2-CG 4.47Å; T81-L85 VanDerWaalsContact O-CG 3.26Å; T81-L85 WeakPolarHBondContact O-CG 3.46Å; T81-L85 PolarHBondContact O-N 3.29Å
82L71.6Confident67.8Low12 Ų1261.8 Ų61.86%0.06331%0.311CS..Hα-helixtrans-53.7-40.7175.2-67.4170.7000112.8L45 A78 L79 L85 G86 M87 F89 L97 M99L45-L82 HydrophobicContact CD2-CD2 3.76Å; L45-L82 HydrophobicContact CD2-CG 3.84Å; A78-L82 VanDerWaalsContact O-CG 3.3Å; A78-L82 WeakPolarHBondContact O-CG 3.39Å; A78-L82 PolarHBondContact O-N 3.02Å; L79-L82 PolarHBondContact O-N 3.1Å; L82-L85 HydrophobicContact CD2-CD1 4.33Å; L82-L85 CarbonylContact O-C 3.48Å; L82-L85 WeakPolarHBondContact O-CA 3.14Å; L82-L85 VanDerWaalsContact O-CB 3.3Å; L82-L85 WeakPolarHBondContact O-CB 3.43Å; L82-L85 PolarHBondContact O-N 3.37Å; L82-L85 VanDerWaalsContact O-N 3.17Å; L82-G86 PolarHBondContact O-N 3.02Å; L82-M87 CarbonylContact C-O 3.51Å; L82-M87 HydrophobicContact CB-CE 4.33Å; L82-M87 HydrophobicContact CD2-CE 3.25Å; L82-M87 HydrophobicContact CD2-SD 4.3Å; L82-M87 HydrophobicContact CG-CE 4.37Å; L82-M87 WeakPolarHBondContact O-CA 3.47Å; L82-M87 WeakPolarHBondContact O-CB 3.36Å; L82-M87 PolarHBondContact O-N 3.49Å; L82-F89 HydrophobicContact CB-CD2 3.88Å; L82-F89 HydrophobicContact CB-CE2 3.8Å; L82-F89 HydrophobicContact CD1-CD2 3.88Å; L82-F89 HydrophobicContact CD1-CE2 3.76Å; L82-F89 HydrophobicContact CD2-CE2 4.12Å; L82-F89 HydrophobicContact CG-CD2 4.42Å; L82-F89 HydrophobicContact CG-CE2 4.11Å; L82-L97 HydrophobicContact CD1-CD1 3.47Å; L82-L97 VanDerWaalsContact CD1-CD1 3.47Å; L82-M99 HydrophobicContact CD1-SD 4.46Å
83E73.1Confident65.9Low105 Ų10563.1 Ų63.149%0.49132%0.32SS..Hα-helixtrans-64.7-40.5174.4-75.217717000112.3L79 T81 L85 G86 M87L79-E83 WeakPolarHBondContact O-CB 3.49Å; L79-E83 WeakPolarHBondContact O-CG 3.5Å; L79-E83 PolarHBondContact O-N 2.79Å; T81-E83 VanDerWaalsContact C-N 3.26Å; T81-E83 PolarHBondContact O-N 3.3Å; E83-L85 VanDerWaalsContact C-N 3.27Å; E83-L85 PolarHBondContact O-N 3.15Å; E83-G86 WeakPolarHBondContact O-CA 3.37Å; E83-G86 PolarHBondContact O-N 3.01Å; E83-M87 WeakPolarHBondContact CA-O 3.49Å; E83-M87 PolarHBondContact N-O 2.92Å
84R65.9Low64.2Low141 Ų14162.7 Ų62.753%0.53232%0.32SS..Hα-helixtrans-65.2-30.7172.2-82.3179.1-89.2173-9.1112.6A80 T81 G86A80-R84 WeakPolarHBondContact O-CB 3.47Å; A80-R84 WeakPolarHBondContact O-CG 3.46Å; A80-R84 PolarHBondContact O-N 3.25Å; A80-R84 PolarHBondContact O-NE 2.97Å; T81-R84 CarbonylContact O-C 3.55Å; T81-R84 WeakPolarHBondContact O-CA 3.46Å; T81-R84 WeakPolarHBondContact O-CB 3.21Å; T81-R84 PolarHBondContact O-N 3.48Å; R84-G86 PolarHBondContact O-N 2.9Å
85L60.9Low62.7Low25 Ų2564.7 Ų64.713%0.13134%0.344CS..THydrogen-bonded Turntrans-70.9-2.4170-57.9179.4000112.6T81 L82 E83 M87 P354 T358T81-L85 HydrophobicContact CG2-CD1 4.38Å; T81-L85 HydrophobicContact CG2-CG 4.47Å; T81-L85 VanDerWaalsContact O-CG 3.26Å; T81-L85 WeakPolarHBondContact O-CG 3.46Å; T81-L85 PolarHBondContact O-N 3.29Å; L82-L85 HydrophobicContact CD2-CD1 4.33Å; L82-L85 CarbonylContact O-C 3.48Å; L82-L85 WeakPolarHBondContact O-CA 3.14Å; L82-L85 VanDerWaalsContact O-CB 3.3Å; L82-L85 WeakPolarHBondContact O-CB 3.43Å; L82-L85 PolarHBondContact O-N 3.37Å; L82-L85 VanDerWaalsContact O-N 3.17Å; E83-L85 VanDerWaalsContact C-N 3.27Å; E83-L85 PolarHBondContact O-N 3.15Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 HydrophobicContact CB-CE 3.6Å; L85-M87 HydrophobicContact CD1-CE 3.45Å; L85-M87 VanDerWaalsContact CD1-CE 3.45Å; L85-M87 HydrophobicContact CG-CE 4.12Å; L85-P354 WeakPolarHBondContact O-CB 3.43Å; L85-T358 HydrophobicContact CD2-CG2 3.59Å; L85-T358 WeakPolarHBondContact CD2-OG1 3.15Å
86G57.4Low61.4Low29 Ų2962.1 Ų62.130%0.29934%0.344SS..THydrogen-bonded Turntrans83.26.9-178.900000114.2L82 E83 R84 R202L82-G86 PolarHBondContact O-N 3.02Å; E83-G86 WeakPolarHBondContact O-CA 3.37Å; E83-G86 PolarHBondContact O-N 3.01Å; R84-G86 PolarHBondContact O-N 2.9Å; G86-R202 PolarHBondContact O-NH2 3.06Å; G86-R202 VanDerWaalsContact O-NH2 3.14Å
87M60.8Low60.6Low16 Ų1660.7 Ų60.78%0.07932%0.324CS..  trans-92.6105176.8-58.7-177.6-83.400109.6L82 E83 L85 F89 V198 F199L82-M87 CarbonylContact C-O 3.51Å; L82-M87 HydrophobicContact CB-CE 4.33Å; L82-M87 HydrophobicContact CD2-CE 3.25Å; L82-M87 HydrophobicContact CD2-SD 4.3Å; L82-M87 HydrophobicContact CG-CE 4.37Å; L82-M87 WeakPolarHBondContact O-CA 3.47Å; L82-M87 WeakPolarHBondContact O-CB 3.36Å; L82-M87 PolarHBondContact O-N 3.49Å; E83-M87 WeakPolarHBondContact CA-O 3.49Å; E83-M87 PolarHBondContact N-O 2.92Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 HydrophobicContact CB-CE 3.6Å; L85-M87 HydrophobicContact CD1-CE 3.45Å; L85-M87 VanDerWaalsContact CD1-CE 3.45Å; L85-M87 HydrophobicContact CG-CE 4.12Å; M87-F89 HydrophobicContact CB-CD2 4.07Å; M87-F89 HydrophobicContact CB-CE2 3.33Å; M87-F89 HydrophobicContact CB-CZ 3.89Å; M87-F89 HydrophobicContact CG-CE2 4.32Å; M87-F89 HydrophobicContact SD-CE2 4.18Å; M87-F89 HydrophobicContact SD-CZ 4.2Å; M87-V198 HydrophobicContact CG-CG1 4.4Å; M87-F199 HydrophobicContact SD-CE1 3.89Å; M87-F199 HydrophobicContact SD-CZ 4.39Å
88K57.8Low60.2Low193 Ų19359.8 Ų59.884%0.83932%0.322SS*.  trans-85.3115.7175.8-75-172.8176.8-176.60109.8
89F56Low60.2Low31 Ų3160.2 Ų60.214%0.13632%0.324CS..  trans-110.5141174.1-65.8-75.8000109.9L79 L82 M87 S93 L97L79-F89 HydrophobicContact CD2-CB 4.4Å; L82-F89 HydrophobicContact CB-CD2 3.88Å; L82-F89 HydrophobicContact CB-CE2 3.8Å; L82-F89 HydrophobicContact CD1-CD2 3.88Å; L82-F89 HydrophobicContact CD1-CE2 3.76Å; L82-F89 HydrophobicContact CD2-CE2 4.12Å; L82-F89 HydrophobicContact CG-CD2 4.42Å; L82-F89 HydrophobicContact CG-CE2 4.11Å; M87-F89 HydrophobicContact CB-CD2 4.07Å; M87-F89 HydrophobicContact CB-CE2 3.33Å; M87-F89 HydrophobicContact CB-CZ 3.89Å; M87-F89 HydrophobicContact CG-CE2 4.32Å; M87-F89 HydrophobicContact SD-CE2 4.18Å; M87-F89 HydrophobicContact SD-CZ 4.2Å; F89-S93 WeakPolarHBondContact CA-OG 3.34Å; F89-S93 WeakPolarHBondContact CB-OG 3.45Å; F89-L97 HydrophobicContact CB-CD1 4.28Å; F89-L97 HydrophobicContact CD1-CD1 3.74Å; F89-L97 HydrophobicContact CD1-CD2 4.4Å; F89-L97 HydrophobicContact CD1-CG 4.17Å; F89-L97 HydrophobicContact CD2-CD1 3.72Å; F89-L97 HydrophobicContact CE1-CD1 3.93Å; F89-L97 HydrophobicContact CE1-CD2 3.77Å; F89-L97 HydrophobicContact CE1-CG 4.04Å; F89-L97 HydrophobicContact CE2-CD1 3.88Å; F89-L97 HydrophobicContact CE2-CD2 4.24Å; F89-L97 HydrophobicContact CG-CD1 3.63Å; F89-L97 HydrophobicContact CZ-CD1 4Å; F89-L97 HydrophobicContact CZ-CD2 3.68Å; F89-L97 HydrophobicContact CZ-CG 4.28Å
90S51.6Low60.3Low57 Ų5760.1 Ų60.140%0.39933%0.33SS..  trans-69155.1160.472.20000110.2K92 S93 A94S90-K92 PolarHBondContact O-N 3.25Å; S90-S93 WeakPolarHBondContact CA-OG 3.39Å; S90-S93 PolarHBondContact N-OG 3.33Å; S90-S93 PolarHBondContact O-N 2.9Å; S90-S93 PolarHBondContact O-OG 3.19Å; S90-S93 PolarHBondContact OG-N 3.26Å; S90-S93 PolarHBondContact OG-OG 3.43Å; S90-A94 PolarHBondContact O-N 3.24Å; S90-A94 VanDerWaalsContact O-N 3.17Å
91K49.8Very low60.6Low193 Ų19363.6 Ų63.684%0.83934%0.341SS*.Hα-helixtrans-55.3-33.1171.1-82.5-176.4175.5178.80112.7A94K91-A94 WeakPolarHBondContact O-CB 3.45Å; K91-A94 PolarHBondContact O-N 3.17Å
92K47.8Very low61.2Low153 Ų15364 Ų6467%0.66534%0.342SS*.Hα-helixtrans-66.7-36.5174-80178179.71650112.3S90 A94 A95 E1430S90-K92 PolarHBondContact O-N 3.25Å; K92-A94 VanDerWaalsContact C-N 3.28Å; K92-A94 PolarHBondContact O-N 2.96Å; K92-A95 PolarHBondContact O-N 3.43Å; K92-E1430 IonicContact NZ-OE1 3.17Å; K92-E1430 PolarHBondContact NZ-OE1 3.46Å
93S47.5Very low62Low30 Ų3063.5 Ų63.521%0.2134%0.339CS..Hα-helixtrans-73.6-16.2174.7470000113.7F89 S90 A95 A96 L97F89-S93 WeakPolarHBondContact CA-OG 3.34Å; F89-S93 WeakPolarHBondContact CB-OG 3.45Å; S90-S93 WeakPolarHBondContact CA-OG 3.39Å; S90-S93 PolarHBondContact N-OG 3.33Å; S90-S93 PolarHBondContact O-N 2.9Å; S90-S93 PolarHBondContact O-OG 3.19Å; S90-S93 PolarHBondContact OG-N 3.26Å; S90-S93 PolarHBondContact OG-OG 3.43Å; S93-A95 VanDerWaalsContact C-N 3.31Å; S93-A95 PolarHBondContact O-N 3.11Å; S93-A96 CarbonylContact O-C 3.52Å; S93-A96 WeakPolarHBondContact O-CA 3.44Å; S93-A96 WeakPolarHBondContact O-CB 3.25Å; S93-A96 PolarHBondContact O-N 3.48Å; S93-L97 WeakPolarHBondContact O-CG 3.47Å; S93-L97 PolarHBondContact O-N 2.65Å
94A44.2Very low62.8Low12 Ų1260.4 Ų60.410%0.09933%0.326CS..Hα-helixtrans-63.7-37.9172.200000112.4L79 S90 K91 K92 A96 L97L79-A94 HydrophobicContact CD1-CB 3.64Å; L79-A94 HydrophobicContact CD2-CB 4.46Å; L79-A94 HydrophobicContact CG-CB 4.27Å; S90-A94 PolarHBondContact O-N 3.24Å; S90-A94 VanDerWaalsContact O-N 3.17Å; K91-A94 WeakPolarHBondContact O-CB 3.45Å; K91-A94 PolarHBondContact O-N 3.17Å; K92-A94 VanDerWaalsContact C-N 3.28Å; K92-A94 PolarHBondContact O-N 2.96Å; A94-A96 VanDerWaalsContact C-N 3.3Å; A94-L97 WeakPolarHBondContact O-CB 3.32Å; A94-L97 PolarHBondContact O-N 3.15Å
95A46.9Very low64Low86 Ų8654 Ų5471%0.71130%0.303SS*.Hα-helixtrans-64-38168.800000111.2K92 S93 L97 G98K92-A95 PolarHBondContact O-N 3.43Å; S93-A95 VanDerWaalsContact C-N 3.31Å; S93-A95 PolarHBondContact O-N 3.11Å; A95-L97 VanDerWaalsContact C-N 3.27Å; A95-L97 PolarHBondContact O-N 3Å; A95-G98 PolarHBondContact O-N 2.86Å
96A46.4Very low65.6Low73 Ų7352.9 Ų52.960%0.60330%0.297SS*.Hα-helixtrans-68.7-22.517600000113.8S93 A94 G98S93-A96 CarbonylContact O-C 3.52Å; S93-A96 WeakPolarHBondContact O-CA 3.44Å; S93-A96 WeakPolarHBondContact O-CB 3.25Å; S93-A96 PolarHBondContact O-N 3.48Å; A94-A96 VanDerWaalsContact C-N 3.3Å; A96-G98 PolarHBondContact O-N 3.5Å
97L58.7Low67.3Low21 Ų2151.5 Ų51.511%0.1128%0.283CS..THydrogen-bonded Turntrans-72.8-14.6176.1-80.5162.3000113L82 F89 S93 A94 A95 M99 M102L82-L97 HydrophobicContact CD1-CD1 3.47Å; L82-L97 VanDerWaalsContact CD1-CD1 3.47Å; F89-L97 HydrophobicContact CB-CD1 4.28Å; F89-L97 HydrophobicContact CD1-CD1 3.74Å; F89-L97 HydrophobicContact CD1-CD2 4.4Å; F89-L97 HydrophobicContact CD1-CG 4.17Å; F89-L97 HydrophobicContact CD2-CD1 3.72Å; F89-L97 HydrophobicContact CE1-CD1 3.93Å; F89-L97 HydrophobicContact CE1-CD2 3.77Å; F89-L97 HydrophobicContact CE1-CG 4.04Å; F89-L97 HydrophobicContact CE2-CD1 3.88Å; F89-L97 HydrophobicContact CE2-CD2 4.24Å; F89-L97 HydrophobicContact CG-CD1 3.63Å; F89-L97 HydrophobicContact CZ-CD1 4Å; F89-L97 HydrophobicContact CZ-CD2 3.68Å; F89-L97 HydrophobicContact CZ-CG 4.28Å; S93-L97 WeakPolarHBondContact O-CG 3.47Å; S93-L97 PolarHBondContact O-N 2.65Å; A94-L97 WeakPolarHBondContact O-CB 3.32Å; A94-L97 PolarHBondContact O-N 3.15Å; A95-L97 VanDerWaalsContact C-N 3.27Å; A95-L97 PolarHBondContact O-N 3Å; L97-M99 HydrophobicContact CB-CG 4.07Å; L97-M99 HydrophobicContact CB-SD 4.29Å; L97-M99 PolarHBondContact O-N 3.46Å; L97-M102 VanDerWaalsContact O-CE 3.3Å; L97-M102 WeakPolarHBondContact O-CE 3.3Å
98G69.7Low68.9Low7 Ų751.7 Ų51.77%0.07228%0.284CS..THydrogen-bonded Turntrans61.830.2177.700000113.2A95 A96 G100 E101 M102A95-G98 PolarHBondContact O-N 2.86Å; A96-G98 PolarHBondContact O-N 3.5Å; G98-G100 PolarHBondContact O-N 3.3Å; G98-E101 CarbonylContact O-C 3.55Å; G98-E101 WeakPolarHBondContact O-CA 3.33Å; G98-E101 VanDerWaalsContact O-CB 3.3Å; G98-E101 WeakPolarHBondContact O-CB 3.27Å; G98-E101 PolarHBondContact O-N 2.91Å; G98-M102 PolarHBondContact O-N 3.18Å
99M74Confident70.6Confident9 Ų942.5 Ų42.54%0.04424%0.244CC..Hα-helixtrans-54.2-52.6-177.3-65.2-59.6-56.500111.7L45 M73 A78 L82 L97 E101 M102 H103L45-M99 HydrophobicContact CB-CE 3.72Å; L45-M99 HydrophobicContact CD1-CE 3.65Å; L45-M99 HydrophobicContact CD1-SD 4.25Å; L45-M99 HydrophobicContact CD2-CE 4.29Å; L45-M99 HydrophobicContact CG-CE 4.08Å; M73-M99 HydrophobicContact CE-CB 4.03Å; M73-M99 HydrophobicContact CE-CE 4.05Å; M73-M99 WeakPolarHBondContact CE-O 3.42Å; M73-M99 HydrophobicContact SD-CB 4.32Å; A78-M99 HydrophobicContact CB-CE 3.38Å; A78-M99 HydrophobicContact CB-CG 4.5Å; A78-M99 HydrophobicContact CB-SD 4.38Å; L82-M99 HydrophobicContact CD1-SD 4.46Å; L97-M99 HydrophobicContact CB-CG 4.07Å; L97-M99 HydrophobicContact CB-SD 4.29Å; L97-M99 PolarHBondContact O-N 3.46Å; M99-E101 PolarHBondContact O-N 2.94Å; M99-M102 HydrophobicContact CE-CE 4.23Å; M99-M102 HydrophobicContact CG-CE 4.43Å; M99-M102 WeakPolarHBondContact O-CB 3.42Å; M99-M102 PolarHBondContact O-N 3.48Å; M99-M102 HydrophobicContact SD-CE 3.36Å; M99-M102 WeakPolarHBondContact SD-CE 3.42Å; M99-H103 PolarHBondContact O-N 2.84Å; M99-H103 VanDerWaalsContact O-N 3.11Å
100G77.3Confident72.4Confident27 Ų2741.2 Ų41.228%0.27824%0.238SC..Hα-helixtrans-57.8-33.7175.900000113.1G98 N104G98-G100 PolarHBondContact O-N 3.3Å; G100-N104 VanDerWaalsContact O-CB 3.28Å; G100-N104 WeakPolarHBondContact O-CB 3.48Å; G100-N104 PolarHBondContact O-N 3.05Å; G100-N104 PolarHBondContact O-ND2 3.49Å
101E81.4Confident74.3Confident107 Ų10741.3 Ų41.350%0.523%0.234SC..Hα-helixtrans-69.4-37.1175.2-56.8-177.5165.100111.9G98 M99 N104 S105G98-E101 CarbonylContact O-C 3.55Å; G98-E101 WeakPolarHBondContact O-CA 3.33Å; G98-E101 VanDerWaalsContact O-CB 3.3Å; G98-E101 WeakPolarHBondContact O-CB 3.27Å; G98-E101 PolarHBondContact O-N 2.91Å; M99-E101 PolarHBondContact O-N 2.94Å; E101-N104 PolarHBondContact O-N 2.94Å; E101-S105 VanDerWaalsContact O-CB 3.31Å; E101-S105 WeakPolarHBondContact O-CB 3.41Å; E101-S105 PolarHBondContact O-N 3.27Å; E101-S105 PolarHBondContact O-OG 3.47Å
102M86.6Confident76.3Confident16 Ų1632.1 Ų32.18%0.07919%0.194CC..Hα-helixtrans-64.8-46.9175.7-73.9-171.3-83.300111.9L97 G98 M99 N104 S105 E106 Q278 L279L97-M102 VanDerWaalsContact O-CE 3.3Å; L97-M102 WeakPolarHBondContact O-CE 3.3Å; G98-M102 PolarHBondContact O-N 3.18Å; M99-M102 HydrophobicContact CE-CE 4.23Å; M99-M102 HydrophobicContact CG-CE 4.43Å; M99-M102 WeakPolarHBondContact O-CB 3.42Å; M99-M102 PolarHBondContact O-N 3.48Å; M99-M102 HydrophobicContact SD-CE 3.36Å; M99-M102 WeakPolarHBondContact SD-CE 3.42Å; M102-N104 VanDerWaalsContact C-N 3.32Å; M102-N104 PolarHBondContact O-N 2.51Å; M102-S105 PolarHBondContact O-N 2.99Å; M102-E106 PolarHBondContact O-N 3Å; M102-Q278 WeakPolarHBondContact CA-O 3.31Å; M102-Q278 HydrophobicContact CB-CB 4.26Å; M102-Q278 WeakPolarHBondContact CB-O 3.47Å; M102-Q278 WeakPolarHBondContact O-CA 3.33Å; M102-L279 HydrophobicContact CG-CD2 4.17Å; M102-L279 HydrophobicContact SD-CD2 3.4Å; M102-L279 WeakPolarHBondContact SD-CD2 3.22Å
103H88.2Confident78.5Confident2 Ų224.9 Ų24.91%0.00916%0.163CC..Hα-helixtrans-63.2-40.1174.8-178.697.6000111.8M73 M99 E106 C107 M133M73-H103 HydrophobicContact CB-CB 4.24Å; M73-H103 HydrophobicContact CE-CB 3.47Å; M73-H103 VanDerWaalsContact CE-CB 3.47Å; M73-H103 HydrophobicContact SD-CB 3.56Å; M73-H103 VanDerWaalsContact SD-CB 3.56Å; M99-H103 PolarHBondContact O-N 2.84Å; M99-H103 VanDerWaalsContact O-N 3.11Å; H103-E106 PolarHBondContact O-N 3.4Å; H103-C107 PolarHBondContact O-N 3.02Å; H103-C107 PolarHBondContact O-SG 3.46Å; H103-C107 VanDerWaalsContact O-SG 3.41Å; H103-M133 PolarHBondContact NE2-N 3.31Å
104N89.5Confident80.4Confident40 Ų4026 Ų2621%0.21416%0.164CC..Hα-helixtrans-66.5-39.5176.2-71.6-17000111.8G100 E101 M102 E106 C107 E108 K130 M131G100-N104 VanDerWaalsContact O-CB 3.28Å; G100-N104 WeakPolarHBondContact O-CB 3.48Å; G100-N104 PolarHBondContact O-N 3.05Å; G100-N104 PolarHBondContact O-ND2 3.49Å; E101-N104 PolarHBondContact O-N 2.94Å; M102-N104 VanDerWaalsContact C-N 3.32Å; M102-N104 PolarHBondContact O-N 2.51Å; N104-E106 VanDerWaalsContact C-N 3.28Å; N104-E106 PolarHBondContact O-N 3.23Å; N104-C107 WeakPolarHBondContact O-CB 3.38Å; N104-C107 PolarHBondContact O-N 3.4Å; N104-E108 WeakPolarHBondContact O-CB 3.24Å; N104-E108 WeakPolarHBondContact O-CG 3.44Å; N104-E108 PolarHBondContact O-N 3.34Å; N104-K130 WeakPolarHBondContact OD1-CA 3.11Å; N104-K130 WeakPolarHBondContact OD1-CB 3.49Å; N104-M131 PolarHBondContact OD1-N 3.31Å
105S92.1Very high82.4Confident6 Ų633.8 Ų33.84%0.04220%0.195CC..Hα-helixtrans-60.6-39.8175.2-58.90000110.9E101 M102 E108 A109 P183 C280E101-S105 VanDerWaalsContact O-CB 3.31Å; E101-S105 WeakPolarHBondContact O-CB 3.41Å; E101-S105 PolarHBondContact O-N 3.27Å; E101-S105 PolarHBondContact O-OG 3.47Å; M102-S105 PolarHBondContact O-N 2.99Å; S105-E108 PolarHBondContact O-N 3.17Å; S105-A109 WeakPolarHBondContact O-CB 3.29Å; S105-A109 PolarHBondContact O-N 2.92Å; S105-P183 VanDerWaalsContact OG-CD 3.31Å; S105-P183 WeakPolarHBondContact OG-CD 3.39Å; S105-C280 PolarHBondContact O-SG 2.88Å; S105-C280 VanDerWaalsContact O-SG 3.41Å
106E94.6Very high84.5Confident3 Ų332.2 Ų32.21%0.01417%0.173CC..Hα-helixtrans-65.1-43.6174.1-166.9177-16900112.8K71 M102 H103 N104 E108 A109 Y110 I134 W277 Q278K71-E106 VanDerWaalsContact CE-OE2 3.24Å; K71-E106 WeakPolarHBondContact CE-OE2 3.31Å; K71-E106 IonicContact NZ-OE1 2.79Å; K71-E106 PolarHBondContact NZ-OE1 3.1Å; K71-E106 IonicContact NZ-OE2 2.82Å; K71-E106 PolarHBondContact NZ-OE2 3.3Å; M102-E106 PolarHBondContact O-N 3Å; H103-E106 PolarHBondContact O-N 3.4Å; N104-E106 VanDerWaalsContact C-N 3.28Å; N104-E106 PolarHBondContact O-N 3.23Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 2.97Å; E106-A109 PolarHBondContact O-N 2.98Å; E106-Y110 HydrophobicContact CG-CD2 4.08Å; E106-Y110 HydrophobicContact CG-CE2 3.86Å; E106-Y110 WeakPolarHBondContact O-CD2 3.38Å; E106-Y110 PolarHBondContact O-N 3.4Å; E106-Y110 VanDerWaalsContact O-N 3.1Å; E106-I134 HydrophobicContact CB-CD1 3.85Å; E106-I134 HydrophobicContact CG-CD1 3.57Å; E106-W277 HydrophobicContact CG-CB 4.07Å; E106-Q278 HydrophobicContact CB-CB 4.45Å
107C92.2Very high86.6Confident0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-57.8-46.5172.7-710000111.2H103 N104 A109 Y110 D111 T128 K130 I134H103-C107 PolarHBondContact O-N 3.02Å; H103-C107 PolarHBondContact O-SG 3.46Å; H103-C107 VanDerWaalsContact O-SG 3.41Å; N104-C107 WeakPolarHBondContact O-CB 3.38Å; N104-C107 PolarHBondContact O-N 3.4Å; C107-A109 PolarHBondContact O-N 2.99Å; C107-Y110 PolarHBondContact O-N 2.99Å; C107-D111 WeakPolarHBondContact O-CB 3.24Å; C107-D111 VanDerWaalsContact O-CG 3.22Å; C107-D111 PolarHBondContact O-N 3.44Å; C107-T128 HydrophobicContact CB-CG2 4.3Å; C107-K130 HydrophobicContact CB-CG 4.35Å; C107-I134 VanDerWaalsContact SG-CG1 3.56Å
108E93.9Very high87.9Confident20 Ų2032.2 Ų32.29%0.09317%0.169CC..Hα-helixtrans-61.8-43.1178.5-67.3-74.6-172.400111.4N104 S105 E106 D111 I112 K130 R181 I182N104-E108 WeakPolarHBondContact O-CB 3.24Å; N104-E108 WeakPolarHBondContact O-CG 3.44Å; N104-E108 PolarHBondContact O-N 3.34Å; S105-E108 PolarHBondContact O-N 3.17Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 2.97Å; E108-D111 PolarHBondContact O-N 3.05Å; E108-I112 HydrophobicContact CB-CD1 4.43Å; E108-I112 WeakPolarHBondContact O-CB 3.45Å; E108-I112 VanDerWaalsContact O-CD1 3.27Å; E108-I112 WeakPolarHBondContact O-CD1 3.33Å; E108-I112 WeakPolarHBondContact O-CG1 3.03Å; E108-I112 PolarHBondContact O-N 3.41Å; E108-K130 WeakPolarHBondContact OE1-CE 3.2Å; E108-K130 IonicContact OE1-NZ 3.69Å; E108-K130 PolarHBondContact OE1-NZ 2.93Å; E108-R181 HydrophobicContact CB-CB 4.48Å; E108-R181 HydrophobicContact CG-CB 4.48Å; E108-R181 IonicContact OE2-CZ 3.25Å; E108-R181 IonicContact OE2-NE 3.52Å; E108-R181 PolarHBondContact OE2-NE 3.46Å; E108-R181 IonicContact OE2-NH2 3.94Å; E108-R181 PolarHBondContact OE2-NH2 3.31Å; E108-I182 HydrophobicContact CB-CG2 4.45Å
109A94.5Very high88.9Confident0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-59-49.2177.200000111.9S105 E106 C107 I112 L113 F247 W277S105-A109 WeakPolarHBondContact O-CB 3.29Å; S105-A109 PolarHBondContact O-N 2.92Å; E106-A109 PolarHBondContact O-N 2.98Å; C107-A109 PolarHBondContact O-N 2.99Å; A109-I112 PolarHBondContact O-N 3.17Å; A109-L113 VanDerWaalsContact O-CB 3.28Å; A109-L113 WeakPolarHBondContact O-CB 3.33Å; A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.45Å; A109-L113 PolarHBondContact O-N 3.46Å; A109-F247 HydrophobicContact CB-CE1 4.49Å; A109-F247 HydrophobicContact CB-CZ 4.01Å; A109-W277 HydrophobicContact CB-CB 3.55Å; A109-W277 HydrophobicContact CB-CD2 4.31Å; A109-W277 HydrophobicContact CB-CE3 4.35Å; A109-W277 HydrophobicContact CB-CG 4.01Å
110Y93.8Very high89.9Confident3 Ų337.6 Ų37.61%0.01219%0.188CC..Hα-helixtrans-63.8-41.9177.1-79.9-63.4000112.3E106 C107 I112 K114 P123 C125 I134 L136 W277E106-Y110 HydrophobicContact CG-CD2 4.08Å; E106-Y110 HydrophobicContact CG-CE2 3.86Å; E106-Y110 WeakPolarHBondContact O-CD2 3.38Å; E106-Y110 PolarHBondContact O-N 3.4Å; E106-Y110 VanDerWaalsContact O-N 3.1Å; C107-Y110 PolarHBondContact O-N 2.99Å; Y110-I112 VanDerWaalsContact C-N 3.32Å; Y110-I112 PolarHBondContact O-N 2.97Å; Y110-K114 WeakPolarHBondContact O-CB 3.27Å; Y110-K114 PolarHBondContact O-N 3.04Å; Y110-K114 VanDerWaalsContact O-N 3.13Å; Y110-P123 HydrophobicContact CE1-CG 3.84Å; Y110-C125 HydrophobicContact CD1-CB 3.95Å; Y110-C125 HydrophobicContact CG-CB 4.11Å; Y110-I134 HydrophobicContact CD2-CG2 4.14Å; Y110-I134 HydrophobicContact CE2-CG2 4.35Å; Y110-L136 HydrophobicContact CD1-CD2 4.16Å; Y110-L136 HydrophobicContact CD2-CD2 4.16Å; Y110-L136 HydrophobicContact CE1-CD2 3.88Å; Y110-L136 HydrophobicContact CE2-CD1 3.96Å; Y110-L136 HydrophobicContact CE2-CD2 3.88Å; Y110-L136 HydrophobicContact CG-CD2 4.31Å; Y110-L136 WeakPolarHBondContact OH-CD1 3.49Å; Y110-W277 AromaticContact CZ-CD1 3.76Å
111D90.3Very high90.7Very high60 Ų6038.4 Ų38.432%0.32118%0.184SC..Hα-helixtrans-63.5-37.8179-73.3-11000112.2C107 E108 T128C107-D111 WeakPolarHBondContact O-CB 3.24Å; C107-D111 VanDerWaalsContact O-CG 3.22Å; C107-D111 PolarHBondContact O-N 3.44Å; E108-D111 PolarHBondContact O-N 3.05Å; D111-T128 WeakPolarHBondContact OD1-CG2 3.43Å; D111-T128 PolarHBondContact OD1-OG1 2.82Å; D111-T128 PolarHBondContact OD2-OG1 3.28Å
112I93Very high91.3Very high0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-76.4-59.6179.2-64.8160.1000110.7E108 A109 Y110 K114 K115 E116 W170 W178 R181 F247E108-I112 HydrophobicContact CB-CD1 4.43Å; E108-I112 WeakPolarHBondContact O-CB 3.45Å; E108-I112 VanDerWaalsContact O-CD1 3.27Å; E108-I112 WeakPolarHBondContact O-CD1 3.33Å; E108-I112 WeakPolarHBondContact O-CG1 3.03Å; E108-I112 PolarHBondContact O-N 3.41Å; A109-I112 PolarHBondContact O-N 3.17Å; Y110-I112 VanDerWaalsContact C-N 3.32Å; Y110-I112 PolarHBondContact O-N 2.97Å; I112-K114 VanDerWaalsContact C-N 3.33Å; I112-K114 PolarHBondContact O-N 2.88Å; I112-K115 PolarHBondContact O-N 2.96Å; I112-K115 VanDerWaalsContact O-N 3.14Å; I112-E116 WeakPolarHBondContact O-CB 3.05Å; I112-E116 PolarHBondContact O-N 2.97Å; I112-W170 HydrophobicContact CG2-CH2 3.4Å; I112-W170 HydrophobicContact CG2-CZ2 3.51Å; I112-W178 HydrophobicContact CD1-CB 3.96Å; I112-W178 HydrophobicContact CG2-CB 4.15Å; I112-R181 HydrophobicContact CD1-CB 3.93Å; I112-R181 VanDerWaalsContact CG1-NH1 3.26Å; I112-F247 HydrophobicContact CD1-CE2 4.46Å
113L94.1Very high91.6Very high1 Ų134.3 Ų34.31%0.00517%0.166CC..Hα-helixtrans-66.5-35.8-169.2-65.6173.2000111.8A109 K115 E116 A117 L120 L122 L167 W170 F247 W277A109-L113 VanDerWaalsContact O-CB 3.28Å; A109-L113 WeakPolarHBondContact O-CB 3.33Å; A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.45Å; A109-L113 PolarHBondContact O-N 3.46Å; L113-K115 VanDerWaalsContact C-N 3.3Å; L113-K115 PolarHBondContact O-N 3.1Å; L113-E116 PolarHBondContact O-N 3.3Å; L113-A117 HydrophobicContact CD2-CB 4.25Å; L113-A117 CarbonylContact O-C 3.6Å; L113-A117 VanDerWaalsContact O-CA 3.23Å; L113-A117 WeakPolarHBondContact O-CA 3.23Å; L113-A117 PolarHBondContact O-N 3.06Å; L113-L120 HydrophobicContact CD2-CD1 4.15Å; L113-L122 HydrophobicContact CB-CD1 3.55Å; L113-L122 HydrophobicContact CD1-CD1 4.28Å; L113-L167 HydrophobicContact CD1-CD1 4.29Å; L113-L167 HydrophobicContact CD2-CD1 3.75Å; L113-W170 HydrophobicContact CD2-CD2 4.22Å; L113-W170 HydrophobicContact CD2-CE3 3.64Å; L113-W170 HydrophobicContact CD2-CH2 3.58Å; L113-W170 HydrophobicContact CD2-CZ2 4.12Å; L113-W170 HydrophobicContact CD2-CZ3 3.3Å; L113-F247 HydrophobicContact CD1-CE1 4.43Å; L113-W277 HydrophobicContact CD1-CD2 4.12Å; L113-W277 HydrophobicContact CD1-CE3 3.91Å; L113-W277 HydrophobicContact CD1-CH2 3.66Å; L113-W277 HydrophobicContact CD1-CZ2 3.9Å; L113-W277 HydrophobicContact CD1-CZ3 3.67Å
114K86.6Confident91.6Very high53 Ų5337.2 Ų37.223%0.2318%0.179CC..Hα-helixtrans-62.7-39.2176-174.5177.5-174.3171.20112.4Y110 I112 E124 C125Y110-K114 WeakPolarHBondContact O-CB 3.27Å; Y110-K114 PolarHBondContact O-N 3.04Å; Y110-K114 VanDerWaalsContact O-N 3.13Å; I112-K114 VanDerWaalsContact C-N 3.33Å; I112-K114 PolarHBondContact O-N 2.88Å; K114-E124 WeakPolarHBondContact CE-OE1 3.3Å; K114-E124 WeakPolarHBondContact CE-OE2 3.29Å; K114-E124 IonicContact NZ-OE1 2.7Å; K114-E124 PolarHBondContact NZ-OE1 2.72Å; K114-E124 IonicContact NZ-OE2 3.21Å; K114-E124 PolarHBondContact NZ-OE2 3.44Å; K114-C125 HydrophobicContact CD-CB 4.37Å; K114-C125 PolarHBondContact NZ-O 2.85Å
115K86.6Confident91.7Very high175 Ų17535.6 Ų35.676%0.76117%0.172SC*.Hα-helixtrans-78-35.7-177.3-174.3178.6177.3-1760111.8I112 L113I112-K115 PolarHBondContact O-N 2.96Å; I112-K115 VanDerWaalsContact O-N 3.14Å; L113-K115 VanDerWaalsContact C-N 3.3Å; L113-K115 PolarHBondContact O-N 3.1Å
116E90.7Very high91.4Very high53 Ų5336.6 Ų36.625%0.24817%0.174CC..Hα-helixtrans-113.7-22.2-166.6-60.1-175.8-157.200115I112 L113 W170 T174 S176I112-E116 WeakPolarHBondContact O-CB 3.05Å; I112-E116 PolarHBondContact O-N 2.97Å; L113-E116 PolarHBondContact O-N 3.3Å; E116-W170 HydrophobicContact CB-CZ2 3.89Å; E116-W170 PolarHBondContact O-NE1 3.48Å; E116-W170 WeakPolarHBondContact OE2-CZ2 3.49Å; E116-T174 PolarHBondContact OE2-OG1 2.94Å; E116-S176 VanDerWaalsContact CD-OG 3.31Å; E116-S176 WeakPolarHBondContact OE1-CB 3.05Å; E116-S176 PolarHBondContact OE1-OG 3.21Å; E116-S176 WeakPolarHBondContact OE2-CB 3.26Å; E116-S176 PolarHBondContact OE2-OG 3.33Å
117A90.4Very high91Very high0 Ų037.1 Ų37.10%018%0.18CC..  trans-130.249.6178.400000112L113 Y119 L120 W170L113-A117 HydrophobicContact CD2-CB 4.25Å; L113-A117 CarbonylContact O-C 3.6Å; L113-A117 VanDerWaalsContact O-CA 3.23Å; L113-A117 WeakPolarHBondContact O-CA 3.23Å; L113-A117 PolarHBondContact O-N 3.06Å; A117-Y119 HydrophobicContact CB-CE1 4.27Å; A117-Y119 PolarHBondContact O-N 3.45Å; A117-L120 HydrophobicContact CB-CD1 3.57Å; A117-L120 HydrophobicContact CB-CG 3.92Å; A117-L120 WeakPolarHBondContact O-CB 3.21Å; A117-L120 PolarHBondContact O-N 2.97Å; A117-W170 HydrophobicContact CB-CD2 3.94Å; A117-W170 HydrophobicContact CB-CG 3.78Å
118P86.4Confident90.8Very high95 Ų9539.1 Ų39.162%0.61719%0.192SC*.THydrogen-bonded Turntrans-64.8-11.4-174.528.5-37.2000114.2L120P118-L120 VanDerWaalsContact C-N 3.34Å
119Y90.4Very high90.3Very high122 Ų12244.1 Ų44.148%0.47821%0.21SC..THydrogen-bonded Turntrans-80.7-13.7175.259.7-92.9000113.1A117 Q121 E166 W170A117-Y119 HydrophobicContact CB-CE1 4.27Å; A117-Y119 PolarHBondContact O-N 3.45Å; Y119-Q121 PolarHBondContact O-NE2 3.39Å; Y119-E166 HydrophobicContact CE2-CB 4.43Å; Y119-W170 WeakPolarHBondContact OH-CB 3.48Å
120L94.8Very high89.7Confident7 Ų748.7 Ų48.74%0.03723%0.23CC..SBendtrans-70.2143.8172.7-65.6177.6000109.7L113 A117 P118 L122 F163 E166 L167L113-L120 HydrophobicContact CD2-CD1 4.15Å; A117-L120 HydrophobicContact CB-CD1 3.57Å; A117-L120 HydrophobicContact CB-CG 3.92Å; A117-L120 WeakPolarHBondContact O-CB 3.21Å; A117-L120 PolarHBondContact O-N 2.97Å; P118-L120 VanDerWaalsContact C-N 3.34Å; L120-L122 VanDerWaalsContact C-N 3.35Å; L120-L122 HydrophobicContact CB-CD1 4.23Å; L120-L122 HydrophobicContact CB-CG 4.11Å; L120-L122 PolarHBondContact O-N 2.88Å; L120-F163 HydrophobicContact CB-CE2 4.15Å; L120-F163 HydrophobicContact CD2-CD2 4.38Å; L120-F163 HydrophobicContact CD2-CE2 4.17Å; L120-E166 HydrophobicContact CD2-CB 3.81Å; L120-L167 HydrophobicContact CD1-CB 4.24Å; L120-L167 HydrophobicContact CD1-CD1 3.67Å; L120-L167 HydrophobicContact CD2-CB 4.43Å
121Q95.2Very high88.6Confident43 Ų4355.4 Ų55.420%0.20126%0.263CS..  trans-73.587.6179.2-71.474.573.800109.9Y119 F163 L271 A273 V274Y119-Q121 PolarHBondContact O-NE2 3.39Å; Q121-F163 HydrophobicContact CB-CD2 4.49Å; Q121-F163 HydrophobicContact CB-CE2 4.3Å; Q121-L271 HydrophobicContact CB-CD2 3.96Å; Q121-L271 HydrophobicContact CB-CG 3.88Å; Q121-L271 HydrophobicContact CG-CB 4.27Å; Q121-L271 HydrophobicContact CG-CD2 4.21Å; Q121-L271 HydrophobicContact CG-CG 4.09Å; Q121-L271 WeakPolarHBondContact CG-O 3.42Å; Q121-A273 CarbonylContact O-C 3.5Å; Q121-A273 WeakPolarHBondContact O-CA 2.94Å; Q121-V274 PolarHBondContact O-N 2.97Å
122L94.3Very high88.1Confident31 Ų3153.2 Ų53.216%0.16225%0.253CS..  trans-121.7146.9179.5-58.9172.7000109.1L113 L120 W277L113-L122 HydrophobicContact CB-CD1 3.55Å; L113-L122 HydrophobicContact CD1-CD1 4.28Å; L120-L122 VanDerWaalsContact C-N 3.35Å; L120-L122 HydrophobicContact CB-CD1 4.23Å; L120-L122 HydrophobicContact CB-CG 4.11Å; L120-L122 PolarHBondContact O-N 2.88Å; L122-W277 HydrophobicContact CD2-CZ2 3.45Å; L122-W277 VanDerWaalsContact CD2-CZ2 3.45Å
123P92Very high87.9Confident6 Ų653.2 Ų53.24%0.03925%0.253CS..  trans-65.2148.5169.732.1-36.2000109.6Y110 C125 L136 E137 V139 I275Y110-P123 HydrophobicContact CE1-CG 3.84Å; P123-C125 PolarHBondContact O-N 3.48Å; P123-L136 HydrophobicContact CB-CB 4.48Å; P123-L136 HydrophobicContact CG-CD1 4.2Å; P123-L136 HydrophobicContact CG-CD2 4.36Å; P123-E137 HydrophobicContact CB-CB 4.2Å; P123-V139 HydrophobicContact CB-CG1 4.05Å; P123-I275 HydrophobicContact CG-CG2 3.87Å
124E88.4Confident87.7Confident63 Ų6353.2 Ų53.229%0.29425%0.253SS..  trans-65.1112.8176.5178.766.4-176.100110.7R22 K114 Y126 L136 E137R22-E124 IonicContact CZ-OE1 3.2Å; R22-E124 IonicContact NE-OE1 3.61Å; R22-E124 IonicContact NH2-OE1 2.57Å; R22-E124 PolarHBondContact NH2-OE1 2.92Å; K114-E124 WeakPolarHBondContact CE-OE1 3.3Å; K114-E124 WeakPolarHBondContact CE-OE2 3.29Å; K114-E124 IonicContact NZ-OE1 2.7Å; K114-E124 PolarHBondContact NZ-OE1 2.72Å; K114-E124 IonicContact NZ-OE2 3.21Å; K114-E124 PolarHBondContact NZ-OE2 3.44Å; E124-Y126 HydrophobicContact CB-CE1 4.31Å; E124-Y126 HydrophobicContact CG-CD1 4.07Å; E124-Y126 HydrophobicContact CG-CE1 3.63Å; E124-Y126 PolarHBondContact O-N 3.41Å; E124-L136 CarbonylContact O-C 3.08Å; E124-L136 WeakPolarHBondContact O-CA 3.42Å; E124-E137 HydrophobicContact CB-CB 3.95Å; E124-E137 WeakPolarHBondContact CB-OE2 3.48Å; E124-E137 PolarHBondContact N-OE2 3.16Å; E124-E137 PolarHBondContact O-N 2.8Å
125C90.4Very high87.9Confident7 Ų750.7 Ų50.75%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-84.3105.9177.4-178.70000110.9Y110 K114 P123 T128 C135 L136Y110-C125 HydrophobicContact CD1-CB 3.95Å; Y110-C125 HydrophobicContact CG-CB 4.11Å; K114-C125 HydrophobicContact CD-CB 4.37Å; K114-C125 PolarHBondContact NZ-O 2.85Å; P123-C125 PolarHBondContact O-N 3.48Å; C125-T128 VanDerWaalsContact SG-CG2 3.57Å; C125-C135 CarbonylContact C-O 3.45Å; C125-L136 HydrophobicContact CB-CD2 3.65Å
126Y86.7Confident88.2Confident26 Ų2643 Ų4310%0.10221%0.209CC..EExtended strand (participates in β ladder)trans-73.3-38.1-177.4-57-60000112.7L19 R22 F23 P65 M68 E124 C135 L136 E137L19-Y126 HydrophobicContact CD2-CG 4.41Å; R22-Y126 WeakPolarHBondContact CD-O 3.49Å; F23-Y126 HydrophobicContact CE2-CD1 4.06Å; F23-Y126 AromaticContact CZ-CD1 3.87Å; F23-Y126 HydrophobicContact CZ-CD1 3.87Å; F23-Y126 HydrophobicContact CZ-CE1 4.25Å; P65-Y126 HydrophobicContact CB-CE1 4.36Å; P65-Y126 HydrophobicContact CB-CE2 4.1Å; P65-Y126 WeakPolarHBondContact CB-OH 3.45Å; P65-Y126 HydrophobicContact CG-CD1 4.38Å; P65-Y126 HydrophobicContact CG-CD2 4.31Å; P65-Y126 HydrophobicContact CG-CE1 3.92Å; P65-Y126 HydrophobicContact CG-CE2 3.8Å; M68-Y126 HydrophobicContact CB-CD2 4.13Å; M68-Y126 HydrophobicContact CB-CE2 3.9Å; E124-Y126 HydrophobicContact CB-CE1 4.31Å; E124-Y126 HydrophobicContact CG-CD1 4.07Å; E124-Y126 HydrophobicContact CG-CE1 3.63Å; E124-Y126 PolarHBondContact O-N 3.41Å; Y126-C135 PolarHBondContact N-O 3.28Å; Y126-L136 VanDerWaalsContact CE2-C 3.5Å; Y126-E137 HydrophobicContact CE2-CB 4.33Å
127A85.7Confident88.2Confident15 Ų1544.2 Ų44.212%0.12422%0.215CC..EExtended strand (participates in β ladder)trans-162151178.400000112.4A18 C135A18-A127 HydrophobicContact CB-CB 3.69Å; A127-C135 HydrophobicContact CB-CB 4.37Å; A127-C135 PolarHBondContact N-O 2.84Å; A127-C135 PolarHBondContact O-N 3.04Å
128T87.9Confident88.2Confident41 Ų4145 Ų4525%0.25222%0.22SC..EExtended strand (participates in β ladder)trans-123.6141.9171.954.40000109.3C107 D111 C125 I134C107-T128 HydrophobicContact CB-CG2 4.3Å; D111-T128 WeakPolarHBondContact OD1-CG2 3.43Å; D111-T128 PolarHBondContact OD1-OG1 2.82Å; D111-T128 PolarHBondContact OD2-OG1 3.28Å; C125-T128 VanDerWaalsContact SG-CG2 3.57Å; T128-I134 HydrophobicContact CG2-CG2 4.41Å
129W83.2Confident88.4Confident125 Ų12541.6 Ų41.647%0.47320%0.197SC..EExtended strand (participates in β ladder)trans-136.4105.8168.4-17516.7000108.1H14 A132 M133H14-W129 HydrophobicContact CB-CZ3 3.99Å; H14-W129 AromaticContact CG-CZ3 3.76Å; H14-W129 AromaticContact ND1-CZ3 3.68Å; W129-A132 HydrophobicContact CB-CB 4.35Å; W129-A132 HydrophobicContact CD2-CB 3.58Å; W129-A132 HydrophobicContact CE3-CB 3.53Å; W129-A132 HydrophobicContact CG-CB 3.96Å; W129-A132 HydrophobicContact CZ3-CB 4.06Å; W129-A132 PolarHBondContact O-N 3.4Å; W129-M133 HydrophobicContact CB-CB 4.22Å; W129-M133 PolarHBondContact N-O 3.45Å; W129-M133 PolarHBondContact O-N 3.12Å
130K82.2Confident88.2Confident96 Ų9637.9 Ų37.942%0.41719%0.188SC..THydrogen-bonded Turntrans-50.5141.1178.5-70.5-176.7177.4-179.70110.9N104 C107 E108 A132N104-K130 WeakPolarHBondContact OD1-CA 3.11Å; N104-K130 WeakPolarHBondContact OD1-CB 3.49Å; C107-K130 HydrophobicContact CB-CG 4.35Å; E108-K130 WeakPolarHBondContact OE1-CE 3.2Å; E108-K130 IonicContact OE1-NZ 3.69Å; E108-K130 PolarHBondContact OE1-NZ 2.93Å; K130-A132 PolarHBondContact O-N 2.69Å
131M71.4Confident87.6Confident144 Ų14442.5 Ų42.571%0.70921%0.21SC*.THydrogen-bonded Turntrans635.2-175-58.1153.958.900116.2N104N104-M131 PolarHBondContact OD1-N 3.31Å
132A79.7Confident87.3Confident15 Ų1547.4 Ų47.412%0.12423%0.231CC..THydrogen-bonded Turntrans-137.9-58.7-173.600000114.8T72 M73 W129 K130T72-A132 VanDerWaalsContact CA-O 3.27Å; T72-A132 WeakPolarHBondContact CA-O 3.16Å; M73-A132 PolarHBondContact N-O 3.28Å; W129-A132 HydrophobicContact CB-CB 4.35Å; W129-A132 HydrophobicContact CD2-CB 3.58Å; W129-A132 HydrophobicContact CE3-CB 3.53Å; W129-A132 HydrophobicContact CG-CB 3.96Å; W129-A132 HydrophobicContact CZ3-CB 4.06Å; W129-A132 PolarHBondContact O-N 3.4Å; K130-A132 PolarHBondContact O-N 2.69Å
133M88.3Confident87.3Confident0 Ų046.1 Ų46.10%022%0.224CC..EExtended strand (participates in β ladder)trans-150.7145-159.4-173.6-179.468.400113.6V10 I15 A18 V70 K71 T72 H103 W129 C135V10-M133 HydrophobicContact CG1-CG 4.26Å; V10-M133 HydrophobicContact CG1-SD 3.43Å; V10-M133 WeakPolarHBondContact CG1-SD 3.34Å; V10-M133 HydrophobicContact CG2-CB 4.13Å; I15-M133 HydrophobicContact CG1-SD 4.01Å; A18-M133 HydrophobicContact CB-CE 3.6Å; V70-M133 HydrophobicContact CG1-CG 3.66Å; V70-M133 HydrophobicContact CG1-SD 3.89Å; K71-M133 CarbonylContact O-C 3.3Å; K71-M133 WeakPolarHBondContact O-CA 3.41Å; T72-M133 HydrophobicContact CG2-CG 4.42Å; H103-M133 PolarHBondContact NE2-N 3.31Å; W129-M133 HydrophobicContact CB-CB 4.22Å; W129-M133 PolarHBondContact N-O 3.45Å; W129-M133 PolarHBondContact O-N 3.12Å; M133-C135 VanDerWaalsContact SD-SG 3.65Å
134I91.3Very high87.3Confident0 Ų047.4 Ų47.40%024%0.235CC..EExtended strand (participates in β ladder)trans-131.5128.2165.3-54.1176.1000107.9V70 K71 E106 C107 Y110 T128 L136V70-I134 CarbonylContact C-O 3.6Å; V70-I134 WeakPolarHBondContact CA-O 3.23Å; K71-I134 HydrophobicContact CB-CB 4.4Å; K71-I134 PolarHBondContact N-O 3.3Å; K71-I134 PolarHBondContact O-N 3.12Å; E106-I134 HydrophobicContact CB-CD1 3.85Å; E106-I134 HydrophobicContact CG-CD1 3.57Å; C107-I134 VanDerWaalsContact SG-CG1 3.56Å; Y110-I134 HydrophobicContact CD2-CG2 4.14Å; Y110-I134 HydrophobicContact CE2-CG2 4.35Å; T128-I134 HydrophobicContact CG2-CG2 4.41Å; I134-L136 HydrophobicContact CG2-CD1 4.33Å; I134-L136 HydrophobicContact CG2-CD2 3.64Å; I134-L136 HydrophobicContact CG2-CG 3.8Å
135C89.6Confident87.5Confident0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-108.7115.6176.5-63.30000109.5M68 V69 C125 Y126 A127 M133M68-C135 HydrophobicContact SD-CB 4.49Å; V69-C135 CarbonylContact O-C 3.58Å; V69-C135 WeakPolarHBondContact O-CA 3.33Å; C125-C135 CarbonylContact C-O 3.45Å; Y126-C135 PolarHBondContact N-O 3.28Å; A127-C135 HydrophobicContact CB-CB 4.37Å; A127-C135 PolarHBondContact N-O 2.84Å; A127-C135 PolarHBondContact O-N 3.04Å; M133-C135 VanDerWaalsContact SD-SG 3.65Å
136L92.7Very high87.4Confident13 Ų1345.8 Ų45.87%0.06823%0.231CC..EExtended strand (participates in β ladder)trans-120157.9-176.4-58178.4000111.4M68 V69 Y110 P123 E124 C125 Y126 I134M68-L136 CarbonylContact C-O 3.5Å; M68-L136 WeakPolarHBondContact CA-O 3.37Å; M68-L136 WeakPolarHBondContact CB-O 3.17Å; V69-L136 PolarHBondContact N-O 3.42Å; V69-L136 PolarHBondContact O-N 3.01Å; Y110-L136 HydrophobicContact CD1-CD2 4.16Å; Y110-L136 HydrophobicContact CD2-CD2 4.16Å; Y110-L136 HydrophobicContact CE1-CD2 3.88Å; Y110-L136 HydrophobicContact CE2-CD1 3.96Å; Y110-L136 HydrophobicContact CE2-CD2 3.88Å; Y110-L136 HydrophobicContact CG-CD2 4.31Å; Y110-L136 WeakPolarHBondContact OH-CD1 3.49Å; P123-L136 HydrophobicContact CB-CB 4.48Å; P123-L136 HydrophobicContact CG-CD1 4.2Å; P123-L136 HydrophobicContact CG-CD2 4.36Å; E124-L136 CarbonylContact O-C 3.08Å; E124-L136 WeakPolarHBondContact O-CA 3.42Å; C125-L136 HydrophobicContact CB-CD2 3.65Å; Y126-L136 VanDerWaalsContact CE2-C 3.5Å; I134-L136 HydrophobicContact CG2-CD1 4.33Å; I134-L136 HydrophobicContact CG2-CD2 3.64Å; I134-L136 HydrophobicContact CG2-CG 3.8Å
137E91.3Very high87.3Confident80 Ų8047 Ų4737%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-53.7135.2163.9-175.1177.7-171.700111.6P123 E124 Y126 V139P123-E137 HydrophobicContact CB-CB 4.2Å; E124-E137 HydrophobicContact CB-CB 3.95Å; E124-E137 WeakPolarHBondContact CB-OE2 3.48Å; E124-E137 PolarHBondContact N-OE2 3.16Å; E124-E137 PolarHBondContact O-N 2.8Å; Y126-E137 HydrophobicContact CE2-CB 4.33Å; E137-V139 HydrophobicContact CB-CG1 4.31Å; E137-V139 HydrophobicContact CG-CG1 3.96Å; E137-V139 PolarHBondContact O-N 2.86Å
138D90.9Very high87Confident17 Ų1746.6 Ų46.69%0.09124%0.239CC..  trans-81.890.8168.9-171.1-3.6000110.1R50 R67 V69 S140R50-D138 WeakPolarHBondContact CD-OD2 3.17Å; R50-D138 WeakPolarHBondContact CG-OD2 3.42Å; R50-D138 IonicContact CZ-OD2 3.79Å; R50-D138 IonicContact NE-OD2 3.51Å; R50-D138 PolarHBondContact NE-OD2 2.97Å; R67-D138 HydrophobicContact CB-CB 4.14Å; V69-D138 HydrophobicContact CG2-CB 3.9Å; D138-S140 PolarHBondContact O-N 2.72Å; D138-S140 VanDerWaalsContact OD1-CB 3.26Å; D138-S140 WeakPolarHBondContact OD1-CB 3.18Å; D138-S140 PolarHBondContact OD1-N 3.25Å; D138-S140 PolarHBondContact OD1-OG 2.87Å
139V90.5Very high86.8Confident23 Ų2348.5 Ų48.514%0.13925%0.246CC..G310 helixtrans-76.1-6.1178.9-61.30000113.3P123 E137 E141 F142 S143 F258 A273P123-V139 HydrophobicContact CB-CG1 4.05Å; E137-V139 HydrophobicContact CB-CG1 4.31Å; E137-V139 HydrophobicContact CG-CG1 3.96Å; E137-V139 PolarHBondContact O-N 2.86Å; V139-E141 PolarHBondContact O-N 3.16Å; V139-F142 PolarHBondContact O-N 3.11Å; V139-S143 PolarHBondContact O-N 2.85Å; V139-S143 VanDerWaalsContact O-N 3.15Å; V139-S143 PolarHBondContact O-OG 3.43Å; V139-F258 HydrophobicContact CG2-CD1 3.9Å; V139-F258 HydrophobicContact CG2-CD2 4.42Å; V139-F258 HydrophobicContact CG2-CE1 4.2Å; V139-F258 HydrophobicContact CG2-CG 4.01Å; V139-A273 HydrophobicContact CG1-CB 4.2Å; V139-A273 HydrophobicContact CG2-CB 4.27Å
140S85.5Confident86.8Confident43 Ų4348.3 Ų48.330%0.30125%0.251SS..G310 helixtrans-70.5-11.9-17168.80000115R50 D138R50-S140 PolarHBondContact NH2-OG 3.32Å; D138-S140 PolarHBondContact O-N 2.72Å; D138-S140 VanDerWaalsContact OD1-CB 3.26Å; D138-S140 WeakPolarHBondContact OD1-CB 3.18Å; D138-S140 PolarHBondContact OD1-N 3.25Å; D138-S140 PolarHBondContact OD1-OG 2.87Å
141E82.7Confident87Confident104 Ų10444.1 Ų44.149%0.48624%0.235SC..G310 helixtrans-72.6-35.9178.3-170.9171.4172.400112.7R67 V139R67-E141 IonicContact NH1-OE2 2.68Å; V139-E141 PolarHBondContact O-N 3.16Å
142F88.1Confident88Confident147 Ų14737.5 Ų37.565%0.64520%0.203SC*.THydrogen-bonded Turntrans-123.45.2-174.3-54.4-69000113.4V139 A260 L261V139-F142 PolarHBondContact O-N 3.11Å; F142-A260 WeakPolarHBondContact O-CA 3.5Å; F142-L261 PolarHBondContact O-N 2.9Å
143S94.5Very high88.5Confident4 Ų439 Ų393%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-145.4153.418070.60000111.7V139 F258 F259V139-S143 PolarHBondContact O-N 2.85Å; V139-S143 VanDerWaalsContact O-N 3.15Å; V139-S143 PolarHBondContact O-OG 3.43Å; S143-F258 WeakPolarHBondContact OG-CD1 3.47Å; S143-F259 CarbonylContact C-O 3.29Å; S143-F259 WeakPolarHBondContact CA-O 3.43Å; S143-F259 WeakPolarHBondContact CB-O 3.38Å
144A91.8Very high88.7Confident32 Ų3243.9 Ų43.926%0.26424%0.235SC..EExtended strand (participates in β ladder)trans-142.8159176.600000110.9F259 L261 T267A144-F259 PolarHBondContact N-O 2.96Å; A144-F259 PolarHBondContact O-N 3.09Å; A144-L261 HydrophobicContact CB-CD1 4.35Å; A144-L261 HydrophobicContact CB-CD2 3.62Å; A144-L261 HydrophobicContact CB-CG 4.24Å; A144-T267 HydrophobicContact CB-CG2 4.19Å; A144-T267 WeakPolarHBondContact O-CG2 3.48Å
145C92.4Very high88.8Confident35 Ų3546.1 Ų46.124%0.23625%0.253CS..PPolyproline II helixtrans-71.1145.2171.7-55.50000110.9A254 Y255 I257 F258C145-A254 WeakPolarHBondContact CB-O 3.12Å; C145-Y255 HydrophobicContact CB-CD1 4.07Å; C145-I257 VanDerWaalsContact CA-O 3.26Å; C145-I257 WeakPolarHBondContact CA-O 3.5Å; C145-F258 WeakPolarHBondContact SG-CE2 3.36Å; C145-F258 VanDerWaalsContact SG-CZ 3.5Å
146P89.3Confident89.1Confident2 Ų246.5 Ų46.51%0.01326%0.255CS..PPolyproline II helixtrans-60.7145.9175.827.4-34.4000110.8L148 V152 A254 I257 F259P146-L148 PolarHBondContact O-N 3.13Å; P146-V152 HydrophobicContact CB-CG1 3.92Å; P146-V152 HydrophobicContact CG-CG1 3.92Å; P146-A254 WeakPolarHBondContact CD-O 3.07Å; P146-A254 HydrophobicContact CG-CB 4.16Å; P146-I257 WeakPolarHBondContact CD-O 3.35Å; P146-F259 HydrophobicContact CB-CD2 4.3Å; P146-F259 HydrophobicContact CB-CE2 4.38Å; P146-F259 HydrophobicContact CG-CD2 4.23Å; P146-F259 HydrophobicContact CG-CE2 4.1Å
147S84Confident89.3Confident52 Ų5245.9 Ų45.936%0.36425%0.252SS..PPolyproline II helixtrans-62.3122.9176.4174.70000110I149 E150 G151S147-I149 PolarHBondContact O-N 2.72Å; S147-I149 PolarHBondContact OG-N 3.48Å; S147-E150 PolarHBondContact O-N 3.25Å; S147-E150 PolarHBondContact OG-N 2.77Å; S147-G151 WeakPolarHBondContact O-CA 3.48Å; S147-G151 PolarHBondContact O-N 3.38Å
148L80.4Confident89.5Confident6 Ų643.8 Ų43.83%0.03124%0.242CC..THydrogen-bonded Turntrans-62.3-28174.9-165.972.9000111.3P146 A254 C295 F370 R373P146-L148 PolarHBondContact O-N 3.13Å; L148-A254 HydrophobicContact CD1-CB 4.1Å; L148-C295 WeakPolarHBondContact CD1-O 3.46Å; L148-F370 HydrophobicContact CD2-CD2 3.63Å; L148-F370 HydrophobicContact CD2-CE2 3.68Å; L148-R373 PolarHBondContact O-NH1 2.75Å; L148-R373 VanDerWaalsContact O-NH1 3.11Å; L148-R373 PolarHBondContact O-NH2 3.08Å
149I82.1Confident89.8Confident80 Ų8046 Ų4641%0.4125%0.249SC..THydrogen-bonded Turntrans-69.6-52.7179.7-62173.8000110.5S147 G151 L366 I369 R373S147-I149 PolarHBondContact O-N 2.72Å; S147-I149 PolarHBondContact OG-N 3.48Å; I149-G151 VanDerWaalsContact C-N 3.31Å; I149-L366 HydrophobicContact CD1-CD1 4.06Å; I149-L366 HydrophobicContact CG1-CD1 3.8Å; I149-I369 HydrophobicContact CG1-CD1 4.05Å; I149-I369 HydrophobicContact CG2-CD1 4.06Å; I149-R373 PolarHBondContact O-NH2 3.45Å
150E83.8Confident90.1Very high121 Ų12144.9 Ų44.957%0.56524%0.243SC*.THydrogen-bonded Turntrans-71.5-29.4179.6-62.9-174.1-172.700111.7S147 K266S147-E150 PolarHBondContact O-N 3.25Å; S147-E150 PolarHBondContact OG-N 2.77Å; E150-K266 IonicContact OE1-NZ 3.61Å; E150-K266 WeakPolarHBondContact OE2-CE 3.2Å; E150-K266 IonicContact OE2-NZ 2.73Å; E150-K266 PolarHBondContact OE2-NZ 3.02Å
151G86.5Confident90.7Very high8 Ų842.8 Ų42.88%0.08223%0.229CC..  trans71.7-170.8-166.800000111.7S147 I149 T296S147-G151 WeakPolarHBondContact O-CA 3.48Å; S147-G151 PolarHBondContact O-N 3.38Å; I149-G151 VanDerWaalsContact C-N 3.31Å; G151-T296 WeakPolarHBondContact CA-O 3.28Å
152V92.7Very high91.4Very high6 Ų638.3 Ų38.34%0.03621%0.208CC..  trans-87.4145.7175.4-700000111.8P146 Q156 L157 L160 F259 T296 V297P146-V152 HydrophobicContact CB-CG1 3.92Å; P146-V152 HydrophobicContact CG-CG1 3.92Å; V152-Q156 VanDerWaalsContact CA-OE1 3.31Å; V152-Q156 HydrophobicContact CB-CB 3.93Å; V152-Q156 HydrophobicContact CG1-CB 4.35Å; V152-L157 HydrophobicContact CG2-CB 4.24Å; V152-L160 HydrophobicContact CG1-CD1 4.3Å; V152-F259 HydrophobicContact CG1-CE2 4.39Å; V152-T296 HydrophobicContact CG1-CG2 3.63Å; V152-T296 HydrophobicContact CG2-CG2 4.21Å; V152-V297 HydrophobicContact CG2-CG2 3.86Å
153S90.8Very high91.9Very high45 Ų4531.4 Ų31.432%0.31518%0.177SC..  trans-67164.9171.279.50000111.2A155 Q156 L157 D269S153-A155 VanDerWaalsContact C-N 3.3Å; S153-A155 PolarHBondContact O-N 2.97Å; S153-A155 PolarHBondContact OG-N 3.21Å; S153-Q156 PolarHBondContact O-N 3Å; S153-Q156 WeakPolarHBondContact OG-CB 3.32Å; S153-Q156 WeakPolarHBondContact OG-CG 3.46Å; S153-Q156 PolarHBondContact OG-N 2.87Å; S153-L157 WeakPolarHBondContact O-CB 3.45Å; S153-L157 PolarHBondContact O-N 2.76Å; S153-D269 PolarHBondContact OG-OD1 2.82Å
154E92Very high92Very high103 Ų10331.2 Ų31.248%0.48118%0.176SC..Hα-helixtrans-57-45.3171.3179.7-178.8170.100111.3Q156 L157 M158 F305E154-Q156 PolarHBondContact O-N 3.17Å; E154-L157 WeakPolarHBondContact O-CB 3.42Å; E154-L157 PolarHBondContact O-N 2.83Å; E154-M158 HydrophobicContact CG-CE 4.16Å; E154-M158 HydrophobicContact CG-CG 4.49Å; E154-M158 VanDerWaalsContact O-CG 3.28Å; E154-M158 WeakPolarHBondContact O-CG 3.27Å; E154-M158 PolarHBondContact O-N 3.39Å; E154-F305 HydrophobicContact CB-CE1 4.45Å; E154-F305 HydrophobicContact CB-CE2 4.45Å; E154-F305 HydrophobicContact CB-CZ 4.14Å; E154-F305 HydrophobicContact CG-CD1 4.17Å; E154-F305 HydrophobicContact CG-CE1 3.74Å; E154-F305 HydrophobicContact CG-CZ 3.93Å; E154-F305 WeakPolarHBondContact OE1-CE1 3.49Å; E154-F305 WeakPolarHBondContact OE2-CE1 3.4Å; E154-F305 WeakPolarHBondContact OE2-CZ 2.97Å
155A93.1Very high92.3Very high47 Ų4729.7 Ų29.739%0.38816%0.164SC..Hα-helixtrans-63.5-42.9179.600000112.1S153 M158 R159 D269S153-A155 VanDerWaalsContact C-N 3.3Å; S153-A155 PolarHBondContact O-N 2.97Å; S153-A155 PolarHBondContact OG-N 3.21Å; A155-M158 PolarHBondContact O-N 2.66Å; A155-R159 WeakPolarHBondContact O-CB 3.36Å; A155-R159 PolarHBondContact O-N 3.23Å; A155-D269 HydrophobicContact CB-CB 4.04Å; A155-D269 VanDerWaalsContact CB-CG 3.42Å; A155-D269 WeakPolarHBondContact CB-OD2 3.36Å
156Q95.8Very high92.6Very high8 Ų828.8 Ų28.84%0.03716%0.156CC..Hα-helixtrans-60.1-47.5172-75.9173.4-23.100111.4V152 S153 E154 M158 R159 L160 F259 T267 T268 D269V152-Q156 VanDerWaalsContact CA-OE1 3.31Å; V152-Q156 HydrophobicContact CB-CB 3.93Å; V152-Q156 HydrophobicContact CG1-CB 4.35Å; S153-Q156 PolarHBondContact O-N 3Å; S153-Q156 WeakPolarHBondContact OG-CB 3.32Å; S153-Q156 WeakPolarHBondContact OG-CG 3.46Å; S153-Q156 PolarHBondContact OG-N 2.87Å; E154-Q156 PolarHBondContact O-N 3.17Å; Q156-M158 VanDerWaalsContact C-N 3.35Å; Q156-M158 PolarHBondContact O-N 3Å; Q156-R159 PolarHBondContact O-N 2.87Å; Q156-R159 VanDerWaalsContact O-N 3.16Å; Q156-L160 VanDerWaalsContact O-CG 3.26Å; Q156-L160 WeakPolarHBondContact O-CG 3.44Å; Q156-L160 PolarHBondContact O-N 2.9Å; Q156-F259 HydrophobicContact CB-CE1 4.09Å; Q156-F259 HydrophobicContact CB-CE2 4.27Å; Q156-F259 HydrophobicContact CB-CZ 3.7Å; Q156-F259 HydrophobicContact CG-CD1 4.15Å; Q156-F259 HydrophobicContact CG-CD2 4.47Å; Q156-F259 HydrophobicContact CG-CE1 3.74Å; Q156-F259 HydrophobicContact CG-CE2 4.07Å; Q156-F259 HydrophobicContact CG-CZ 3.69Å; Q156-T267 PolarHBondContact NE2-OG1 3.39Å; Q156-T268 PolarHBondContact NE2-O 3.25Å; Q156-D269 HydrophobicContact CG-CB 4.37Å; Q156-D269 WeakPolarHBondContact CG-OD1 3.45Å
157L96.2Very high93Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-58.4-44.7178.3177.359.8000111.9V152 S153 E154 L160 A161 L292 F293 V297 V301 F305 A309V152-L157 HydrophobicContact CG2-CB 4.24Å; S153-L157 WeakPolarHBondContact O-CB 3.45Å; S153-L157 PolarHBondContact O-N 2.76Å; E154-L157 WeakPolarHBondContact O-CB 3.42Å; E154-L157 PolarHBondContact O-N 2.83Å; L157-L160 PolarHBondContact O-N 3.43Å; L157-A161 PolarHBondContact O-N 2.68Å; L157-L292 HydrophobicContact CD1-CD2 3.55Å; L157-L292 HydrophobicContact CD1-CG 4.39Å; L157-F293 HydrophobicContact CD1-CE1 4.2Å; L157-F293 HydrophobicContact CD1-CE2 4.38Å; L157-F293 HydrophobicContact CD1-CZ 3.85Å; L157-F293 HydrophobicContact CD2-CE1 3.95Å; L157-F293 HydrophobicContact CD2-CZ 3.93Å; L157-F293 HydrophobicContact CG-CZ 4.39Å; L157-V297 HydrophobicContact CD1-CG2 4.02Å; L157-V301 HydrophobicContact CD2-CG1 4.29Å; L157-F305 HydrophobicContact CD2-CB 3.86Å; L157-A309 HydrophobicContact CD1-CB 4.33Å; L157-A309 HydrophobicContact CD2-CB 4.1Å; L157-A309 HydrophobicContact CG-CB 4.01Å
158M96.5Very high93.6Very high36 Ų3626.3 Ų26.318%0.17714%0.138CC..Hα-helixtrans-65.5-38.7176.5-63.7-57.2165.100111.9E154 A155 Q156 L160 A161 D162 F305 A309 R312E154-M158 HydrophobicContact CG-CE 4.16Å; E154-M158 HydrophobicContact CG-CG 4.49Å; E154-M158 VanDerWaalsContact O-CG 3.28Å; E154-M158 WeakPolarHBondContact O-CG 3.27Å; E154-M158 PolarHBondContact O-N 3.39Å; A155-M158 PolarHBondContact O-N 2.66Å; Q156-M158 VanDerWaalsContact C-N 3.35Å; Q156-M158 PolarHBondContact O-N 3Å; M158-L160 VanDerWaalsContact C-N 3.33Å; M158-L160 PolarHBondContact O-N 3.43Å; M158-A161 PolarHBondContact O-N 3.19Å; M158-D162 PolarHBondContact O-N 3.17Å; M158-F305 HydrophobicContact CE-CD1 4.37Å; M158-A309 HydrophobicContact SD-CB 4.49Å; M158-R312 HydrophobicContact SD-CB 3.85Å; M158-R312 HydrophobicContact SD-CG 4.04Å
159R96.8Very high94.3Very high63 Ų6326.1 Ų26.124%0.23814%0.138CC..Hα-helixtrans-65.9-36.3175.5-177.963.4-146.7150.25.8112.1A155 Q156 D162 F163 E166 L271A155-R159 WeakPolarHBondContact O-CB 3.36Å; A155-R159 PolarHBondContact O-N 3.23Å; Q156-R159 PolarHBondContact O-N 2.87Å; Q156-R159 VanDerWaalsContact O-N 3.16Å; R159-D162 WeakPolarHBondContact O-CB 3.48Å; R159-D162 PolarHBondContact O-N 2.92Å; R159-F163 PolarHBondContact O-N 2.99Å; R159-E166 IonicContact CZ-OE2 2.81Å; R159-E166 IonicContact NH1-OE1 2.85Å; R159-E166 IonicContact NH2-OE1 3Å; R159-E166 IonicContact NH2-OE2 3.83Å; R159-E166 PolarHBondContact NH2-OE2 2.84Å; R159-L271 HydrophobicContact CG-CB 4.15Å
160L97.6Very high95Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-70.2-38.9175.4-66.3171.7000111.8V152 Q156 L157 M158 D162 F163 V164 F252 I257 F259 L271 L292V152-L160 HydrophobicContact CG1-CD1 4.3Å; Q156-L160 VanDerWaalsContact O-CG 3.26Å; Q156-L160 WeakPolarHBondContact O-CG 3.44Å; Q156-L160 PolarHBondContact O-N 2.9Å; L157-L160 PolarHBondContact O-N 3.43Å; M158-L160 VanDerWaalsContact C-N 3.33Å; M158-L160 PolarHBondContact O-N 3.43Å; L160-D162 VanDerWaalsContact C-N 3.3Å; L160-D162 PolarHBondContact O-N 3.34Å; L160-F163 PolarHBondContact O-N 2.96Å; L160-V164 WeakPolarHBondContact O-CG2 3.48Å; L160-V164 PolarHBondContact O-N 3.15Å; L160-F252 HydrophobicContact CB-CE1 4.24Å; L160-F252 HydrophobicContact CB-CZ 4.32Å; L160-F252 HydrophobicContact CD2-CE1 4.43Å; L160-F252 HydrophobicContact CD2-CZ 3.84Å; L160-I257 HydrophobicContact CD1-CD1 3.97Å; L160-I257 HydrophobicContact CD1-CG2 4.47Å; L160-I257 HydrophobicContact CD2-CD1 4Å; L160-I257 HydrophobicContact CD2-CG1 4.34Å; L160-I257 HydrophobicContact CD2-CG2 3.64Å; L160-F259 HydrophobicContact CD1-CE2 4.42Å; L160-F259 HydrophobicContact CD1-CZ 3.95Å; L160-F259 HydrophobicContact CD2-CZ 3.93Å; L160-F259 HydrophobicContact CG-CZ 3.91Å; L160-L271 HydrophobicContact CD2-CD1 4Å; L160-L271 HydrophobicContact CD2-CD2 4.38Å; L160-L292 HydrophobicContact CB-CD2 3.86Å; L160-L292 HydrophobicContact CD1-CD1 3.72Å; L160-L292 HydrophobicContact CD1-CD2 3.99Å
161A97.5Very high95.6Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-59.7-41.7170.700000111.7L157 M158 A165 L289 R312L157-A161 PolarHBondContact O-N 2.68Å; M158-A161 PolarHBondContact O-N 3.19Å; A161-A165 WeakPolarHBondContact O-CB 3.42Å; A161-A165 PolarHBondContact O-N 3.23Å; A161-L289 HydrophobicContact CB-CD1 4.26Å; A161-R312 HydrophobicContact CB-CG 4.45Å
162D97.5Very high96Very high10 Ų1017.6 Ų17.65%0.05310%0.095CC..Hα-helixtrans-62.5-43.5173.5-75.2-20.6000111.8M158 R159 L160 A165 E166 R312M158-D162 PolarHBondContact O-N 3.17Å; R159-D162 WeakPolarHBondContact O-CB 3.48Å; R159-D162 PolarHBondContact O-N 2.92Å; L160-D162 VanDerWaalsContact C-N 3.3Å; L160-D162 PolarHBondContact O-N 3.34Å; D162-A165 PolarHBondContact O-N 3.31Å; D162-E166 WeakPolarHBondContact O-CB 3.22Å; D162-E166 VanDerWaalsContact O-CG 3.25Å; D162-E166 WeakPolarHBondContact O-CG 3.38Å; D162-E166 PolarHBondContact O-N 2.94Å; D162-R312 IonicContact OD1-CZ 3.95Å; D162-R312 IonicContact OD1-NE 2.8Å; D162-R312 PolarHBondContact OD1-NE 2.92Å; D162-R312 IonicContact OD1-NH2 3.3Å; D162-R312 PolarHBondContact OD1-NH2 2.64Å; D162-R312 IonicContact OD2-CZ 2.99Å; D162-R312 IonicContact OD2-NE 2.79Å; D162-R312 PolarHBondContact OD2-NE 2.87Å; D162-R312 IonicContact OD2-NH2 3.59Å; D162-R312 PolarHBondContact OD2-NH2 3.37Å
163F98.1Very high96Very high1 Ų120.7 Ų20.70%0.00411%0.111CC..Hα-helixtrans-61.7-46.6177.3174.3-89.4000112.2L120 Q121 R159 L160 A165 E166 L167 F252 L271 V274 W277L120-F163 HydrophobicContact CB-CE2 4.15Å; L120-F163 HydrophobicContact CD2-CD2 4.38Å; L120-F163 HydrophobicContact CD2-CE2 4.17Å; Q121-F163 HydrophobicContact CB-CD2 4.49Å; Q121-F163 HydrophobicContact CB-CE2 4.3Å; R159-F163 PolarHBondContact O-N 2.99Å; L160-F163 PolarHBondContact O-N 2.96Å; F163-A165 VanDerWaalsContact C-N 3.29Å; F163-A165 PolarHBondContact O-N 3.32Å; F163-E166 PolarHBondContact O-N 3.48Å; F163-E166 VanDerWaalsContact O-N 3.15Å; F163-L167 PolarHBondContact O-N 3.38Å; F163-F252 AromaticContact CD1-CE2 3.92Å; F163-F252 HydrophobicContact CD1-CE2 3.92Å; F163-F252 AromaticContact CD1-CZ 3.91Å; F163-F252 HydrophobicContact CD1-CZ 3.91Å; F163-F252 AromaticContact CE1-CE2 3.92Å; F163-F252 HydrophobicContact CE1-CE2 3.92Å; F163-F252 HydrophobicContact CE1-CZ 4.37Å; F163-L271 HydrophobicContact CB-CD2 3.79Å; F163-L271 HydrophobicContact CD2-CD2 3.47Å; F163-L271 VanDerWaalsContact CD2-CD2 3.47Å; F163-L271 HydrophobicContact CE2-CD2 4.2Å; F163-L271 HydrophobicContact CG-CD2 3.69Å; F163-V274 HydrophobicContact CD1-CG2 4.18Å; F163-V274 HydrophobicContact CD2-CG2 4.43Å; F163-V274 HydrophobicContact CE1-CB 4.1Å; F163-V274 HydrophobicContact CE1-CG1 4.2Å; F163-V274 HydrophobicContact CE1-CG2 3.68Å; F163-V274 HydrophobicContact CE2-CB 4.41Å; F163-V274 HydrophobicContact CE2-CG2 3.92Å; F163-V274 HydrophobicContact CZ-CB 3.74Å; F163-V274 HydrophobicContact CZ-CG1 4.23Å; F163-V274 HydrophobicContact CZ-CG2 3.53Å; F163-W277 HydrophobicContact CZ-CH2 4.42Å; F163-W277 HydrophobicContact CZ-CZ2 4.3Å
164V98.2Very high96.1Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-62.1-40.4178.1175.50000110.4L160 Q168 F252 D288 Y313L160-V164 WeakPolarHBondContact O-CG2 3.48Å; L160-V164 PolarHBondContact O-N 3.15Å; V164-Q168 HydrophobicContact CG1-CG 4.36Å; V164-Q168 WeakPolarHBondContact O-CB 3.45Å; V164-Q168 VanDerWaalsContact O-CG 3.29Å; V164-Q168 WeakPolarHBondContact O-CG 3.22Å; V164-Q168 PolarHBondContact O-N 3.32Å; V164-F252 HydrophobicContact CG2-CD1 3.96Å; V164-F252 HydrophobicContact CG2-CE1 3.48Å; V164-F252 VanDerWaalsContact CG2-CE1 3.48Å; V164-F252 HydrophobicContact CG2-CZ 3.83Å; V164-D288 HydrophobicContact CG1-CB 4.06Å; V164-D288 HydrophobicContact CG2-CB 4.18Å; V164-Y313 HydrophobicContact CB-CD2 4.34Å; V164-Y313 HydrophobicContact CB-CE2 4.5Å; V164-Y313 HydrophobicContact CG1-CD2 4.09Å; V164-Y313 HydrophobicContact CG1-CE2 3.86Å
165A97.8Very high95.9Very high0 Ų025.6 Ų25.60%013%0.128CC..Hα-helixtrans-63.9-40.917400000112.4A161 D162 F163 A169 Y313 R316 M317A161-A165 WeakPolarHBondContact O-CB 3.42Å; A161-A165 PolarHBondContact O-N 3.23Å; D162-A165 PolarHBondContact O-N 3.31Å; F163-A165 VanDerWaalsContact C-N 3.29Å; F163-A165 PolarHBondContact O-N 3.32Å; A165-A169 WeakPolarHBondContact O-CB 3.17Å; A165-A169 PolarHBondContact O-N 2.93Å; A165-Y313 HydrophobicContact CB-CD2 3.7Å; A165-Y313 HydrophobicContact CB-CE2 4.02Å; A165-R316 HydrophobicContact CB-CB 3.71Å; A165-R316 HydrophobicContact CB-CG 3.61Å; A165-M317 HydrophobicContact CB-CG 3.9Å; A165-M317 HydrophobicContact CB-SD 4.1Å
166E97.8Very high95.6Very high17 Ų1724.5 Ų24.58%0.07912%0.117CC..Hα-helixtrans-63.4-45.9177.5-75.3163.6-172.600111.6Y119 L120 R159 D162 F163 W170 R316 L320Y119-E166 HydrophobicContact CE2-CB 4.43Å; L120-E166 HydrophobicContact CD2-CB 3.81Å; R159-E166 IonicContact CZ-OE2 2.81Å; R159-E166 IonicContact NH1-OE1 2.85Å; R159-E166 IonicContact NH2-OE1 3Å; R159-E166 IonicContact NH2-OE2 3.83Å; R159-E166 PolarHBondContact NH2-OE2 2.84Å; D162-E166 WeakPolarHBondContact O-CB 3.22Å; D162-E166 VanDerWaalsContact O-CG 3.25Å; D162-E166 WeakPolarHBondContact O-CG 3.38Å; D162-E166 PolarHBondContact O-N 2.94Å; F163-E166 PolarHBondContact O-N 3.48Å; F163-E166 VanDerWaalsContact O-N 3.15Å; E166-W170 PolarHBondContact O-N 2.94Å; E166-R316 IonicContact OE1-CZ 3.52Å; E166-R316 IonicContact OE1-NE 2.73Å; E166-R316 IonicContact OE1-NH2 3.58Å; E166-R316 PolarHBondContact OE1-NH2 3.04Å; E166-L320 HydrophobicContact CB-CD1 4.48Å; E166-L320 HydrophobicContact CG-CD1 3.82Å
167L97.8Very high95.3Very high1 Ų128.2 Ų28.21%0.00514%0.138CC..Hα-helixtrans-60.7-51.1175.817368.4000111.8L113 L120 F163 W170 S171 F247 W277L113-L167 HydrophobicContact CD1-CD1 4.29Å; L113-L167 HydrophobicContact CD2-CD1 3.75Å; L120-L167 HydrophobicContact CD1-CB 4.24Å; L120-L167 HydrophobicContact CD1-CD1 3.67Å; L120-L167 HydrophobicContact CD2-CB 4.43Å; F163-L167 PolarHBondContact O-N 3.38Å; L167-W170 HydrophobicContact CD1-CE3 4.3Å; L167-W170 WeakPolarHBondContact O-CB 3.22Å; L167-W170 PolarHBondContact O-N 3.27Å; L167-S171 PolarHBondContact O-N 3.39Å; L167-F247 HydrophobicContact CD1-CD1 4.41Å; L167-W277 HydrophobicContact CD1-CH2 3.88Å; L167-W277 HydrophobicContact CD1-CZ3 4.11Å; L167-W277 HydrophobicContact CD2-CH2 3.71Å; L167-W277 HydrophobicContact CD2-CZ3 3.86Å; L167-W277 HydrophobicContact CG-CH2 4.43Å
168Q97.1Very high95.2Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-72.7-35.7-174.3-67.7178.70.500111.3V164 W170 S171 L172 V246 F285 Y313 M317V164-Q168 HydrophobicContact CG1-CG 4.36Å; V164-Q168 WeakPolarHBondContact O-CB 3.45Å; V164-Q168 VanDerWaalsContact O-CG 3.29Å; V164-Q168 WeakPolarHBondContact O-CG 3.22Å; V164-Q168 PolarHBondContact O-N 3.32Å; Q168-W170 VanDerWaalsContact C-N 3.35Å; Q168-W170 PolarHBondContact O-N 2.81Å; Q168-S171 PolarHBondContact O-N 3.35Å; Q168-S171 VanDerWaalsContact O-N 3.17Å; Q168-S171 PolarHBondContact O-OG 2.94Å; Q168-L172 WeakPolarHBondContact O-CG 3.38Å; Q168-L172 PolarHBondContact O-N 3.49Å; Q168-L172 VanDerWaalsContact O-N 3.16Å; Q168-V246 HydrophobicContact CB-CB 4.01Å; Q168-V246 HydrophobicContact CB-CG1 4.1Å; Q168-V246 HydrophobicContact CB-CG2 4.3Å; Q168-V246 HydrophobicContact CG-CB 3.96Å; Q168-V246 HydrophobicContact CG-CG2 3.8Å; Q168-F285 PolarHBondContact NE2-O 3.34Å; Q168-F285 PolarHBondContact OE1-O 2.88Å; Q168-Y313 VanDerWaalsContact OE1-CZ 3.27Å; Q168-Y313 PolarHBondContact OE1-OH 2.83Å; Q168-M317 HydrophobicContact CB-CE 4.09Å; Q168-M317 HydrophobicContact CB-SD 4.11Å
169A95.6Very high95Very high2 Ų230.6 Ų30.62%0.01715%0.147CC..Hα-helixtrans-62.2-40.7171.700000112.2A165 S171 L172 N173 M317 L320 A321A165-A169 WeakPolarHBondContact O-CB 3.17Å; A165-A169 PolarHBondContact O-N 2.93Å; A169-S171 VanDerWaalsContact C-N 3.32Å; A169-S171 PolarHBondContact O-N 2.88Å; A169-L172 PolarHBondContact O-N 3.2Å; A169-N173 WeakPolarHBondContact O-CB 3.33Å; A169-N173 VanDerWaalsContact O-CG 3.31Å; A169-N173 PolarHBondContact O-N 3.3Å; A169-N173 PolarHBondContact O-ND2 3.23Å; A169-M317 HydrophobicContact CB-SD 3.93Å; A169-L320 HydrophobicContact CB-CB 3.5Å; A169-L320 VanDerWaalsContact CB-CB 3.5Å; A169-L320 HydrophobicContact CB-CD1 4.04Å; A169-L320 HydrophobicContact CB-CG 4.43Å; A169-A321 HydrophobicContact CB-CB 4.1Å
170W96.3Very high94.8Very high13 Ų1336.2 Ų36.25%0.04917%0.173CC..Hα-helixtrans-56.6-47.917116578000111.4I112 L113 E116 A117 Y119 E166 L167 Q168 L172 N173 T174 W178 F247I112-W170 HydrophobicContact CG2-CH2 3.4Å; I112-W170 HydrophobicContact CG2-CZ2 3.51Å; L113-W170 HydrophobicContact CD2-CD2 4.22Å; L113-W170 HydrophobicContact CD2-CE3 3.64Å; L113-W170 HydrophobicContact CD2-CH2 3.58Å; L113-W170 HydrophobicContact CD2-CZ2 4.12Å; L113-W170 HydrophobicContact CD2-CZ3 3.3Å; E116-W170 HydrophobicContact CB-CZ2 3.89Å; E116-W170 PolarHBondContact O-NE1 3.48Å; E116-W170 WeakPolarHBondContact OE2-CZ2 3.49Å; A117-W170 HydrophobicContact CB-CD2 3.94Å; A117-W170 HydrophobicContact CB-CG 3.78Å; Y119-W170 WeakPolarHBondContact OH-CB 3.48Å; E166-W170 PolarHBondContact O-N 2.94Å; L167-W170 HydrophobicContact CD1-CE3 4.3Å; L167-W170 WeakPolarHBondContact O-CB 3.22Å; L167-W170 PolarHBondContact O-N 3.27Å; Q168-W170 VanDerWaalsContact C-N 3.35Å; Q168-W170 PolarHBondContact O-N 2.81Å; W170-L172 PolarHBondContact O-N 2.93Å; W170-N173 PolarHBondContact O-N 3.18Å; W170-N173 VanDerWaalsContact O-N 3.07Å; W170-T174 HydrophobicContact CD2-CG2 4.48Å; W170-T174 HydrophobicContact CH2-CG2 4.47Å; W170-T174 HydrophobicContact CZ2-CG2 3.99Å; W170-T174 WeakPolarHBondContact O-CB 3.45Å; W170-T174 WeakPolarHBondContact O-CG2 3.47Å; W170-T174 PolarHBondContact O-N 2.99Å; W170-W178 HydrophobicContact CH2-CB 4.38Å; W170-W178 HydrophobicContact CH2-CG 4.32Å; W170-F247 HydrophobicContact CH2-CD2 4Å; W170-F247 HydrophobicContact CH2-CE2 4.38Å; W170-F247 HydrophobicContact CZ3-CB 3.98Å; W170-F247 AromaticContact CZ3-CD2 3.63Å; W170-F247 HydrophobicContact CZ3-CD2 3.63Å; W170-F247 HydrophobicContact CZ3-CE2 4.32Å; W170-F247 AromaticContact CZ3-CG 3.92Å; W170-F247 HydrophobicContact CZ3-CG 3.92Å
171S96.2Very high94.5Very high5 Ų540 Ų404%0.03519%0.187CC..Hα-helixtrans-61.9-29.9-176.377.20000113.5L167 Q168 A169 W178 V246 F247L167-S171 PolarHBondContact O-N 3.39Å; Q168-S171 PolarHBondContact O-N 3.35Å; Q168-S171 VanDerWaalsContact O-N 3.17Å; Q168-S171 PolarHBondContact O-OG 2.94Å; A169-S171 VanDerWaalsContact C-N 3.32Å; A169-S171 PolarHBondContact O-N 2.88Å; S171-W178 PolarHBondContact O-NE1 3.24Å; S171-V246 WeakPolarHBondContact OG-CA 3.42Å; S171-V246 WeakPolarHBondContact OG-CB 3.45Å; S171-F247 VanDerWaalsContact CB-CB 3.43Å; S171-F247 PolarHBondContact OG-N 3.35Å
172L94.5Very high94.3Very high13 Ų1340.4 Ų40.47%0.06819%0.189CC..Hα-helixtrans-79.1-37.8175.1-66.8175.8000112.3Q168 A169 W170 P244 V246 M317 A321 Y324Q168-L172 WeakPolarHBondContact O-CG 3.38Å; Q168-L172 PolarHBondContact O-N 3.49Å; Q168-L172 VanDerWaalsContact O-N 3.16Å; A169-L172 PolarHBondContact O-N 3.2Å; W170-L172 PolarHBondContact O-N 2.93Å; L172-P244 HydrophobicContact CD2-CB 3.94Å; L172-P244 HydrophobicContact CD2-CG 4.14Å; L172-V246 HydrophobicContact CD1-CG1 4.15Å; L172-V246 HydrophobicContact CD2-CG1 3.9Å; L172-V246 HydrophobicContact CG-CG1 3.93Å; L172-M317 HydrophobicContact CD1-CE 3.75Å; L172-A321 HydrophobicContact CD1-CB 4.33Å; L172-Y324 HydrophobicContact CB-CD2 3.79Å; L172-Y324 HydrophobicContact CB-CE2 3.69Å; L172-Y324 HydrophobicContact CB-CG 4.45Å; L172-Y324 HydrophobicContact CD1-CD2 4.12Å; L172-Y324 HydrophobicContact CD1-CG 4.24Å; L172-Y324 HydrophobicContact CG-CD2 4.44Å; L172-Y324 PolarHBondContact O-OH 3.39Å
173N93.4Very high94.1Very high71 Ų7140.9 Ų40.938%0.3819%0.193SC..Hα-helixtrans-89-20.8-173.9-70.4-29.6000114.1A169 W170 L320A169-N173 WeakPolarHBondContact O-CB 3.33Å; A169-N173 VanDerWaalsContact O-CG 3.31Å; A169-N173 PolarHBondContact O-N 3.3Å; A169-N173 PolarHBondContact O-ND2 3.23Å; W170-N173 PolarHBondContact O-N 3.18Å; W170-N173 VanDerWaalsContact O-N 3.07Å; N173-L320 PolarHBondContact ND2-O 3.3Å
174T92.4Very high93.8Very high35 Ų3542.4 Ų42.422%0.21520%0.204CC..  trans-69148.8-178.2-1730000111.7E116 W170 S176 W178E116-T174 PolarHBondContact OE2-OG1 2.94Å; W170-T174 HydrophobicContact CD2-CG2 4.48Å; W170-T174 HydrophobicContact CH2-CG2 4.47Å; W170-T174 HydrophobicContact CZ2-CG2 3.99Å; W170-T174 WeakPolarHBondContact O-CB 3.45Å; W170-T174 WeakPolarHBondContact O-CG2 3.47Å; W170-T174 PolarHBondContact O-N 2.99Å; T174-S176 VanDerWaalsContact C-N 3.27Å; T174-S176 WeakPolarHBondContact OG1-CB 3.42Å; T174-S176 PolarHBondContact OG1-N 3.35Å; T174-S176 VanDerWaalsContact OG1-N 3.16Å; T174-W178 VanDerWaalsContact CG2-CD1 3.44Å
175K87.7Confident93.4Very high216 Ų21642.4 Ų42.494%0.93920%0.204SC*.  trans-88.14170.8-65.9-174.3179-179.50112.9
176S86.8Confident93.1Very high24 Ų2445.7 Ų45.717%0.16822%0.219CC..  trans-71150.1-176.9-178.20000113.4E116 T174 W178E116-S176 VanDerWaalsContact CD-OG 3.31Å; E116-S176 WeakPolarHBondContact OE1-CB 3.05Å; E116-S176 PolarHBondContact OE1-OG 3.21Å; E116-S176 WeakPolarHBondContact OE2-CB 3.26Å; E116-S176 PolarHBondContact OE2-OG 3.33Å; T174-S176 VanDerWaalsContact C-N 3.27Å; T174-S176 WeakPolarHBondContact OG1-CB 3.42Å; T174-S176 PolarHBondContact OG1-N 3.35Å; T174-S176 VanDerWaalsContact OG1-N 3.16Å; S176-W178 PolarHBondContact O-N 3.48Å; S176-W178 PolarHBondContact OG-N 3.3Å
177D89.5Confident92.6Very high86 Ų8647.1 Ų47.146%0.4623%0.231SC..  trans-8628175.266.7-23.8000112.4K179 K180D177-K179 PolarHBondContact O-N 2.97Å; D177-K180 HydrophobicContact CB-CD 4.3Å; D177-K180 WeakPolarHBondContact O-CB 3.17Å; D177-K180 PolarHBondContact O-N 2.76Å
178W94.1Very high92.1Very high4 Ų447.6 Ų47.62%0.01523%0.234CC..Hα-helixtrans-48.5-35.8179.466.9-96.8000113.2I112 W170 S171 T174 S176 K180 R181 I182 F247 Q282I112-W178 HydrophobicContact CD1-CB 3.96Å; I112-W178 HydrophobicContact CG2-CB 4.15Å; W170-W178 HydrophobicContact CH2-CB 4.38Å; W170-W178 HydrophobicContact CH2-CG 4.32Å; S171-W178 PolarHBondContact O-NE1 3.24Å; T174-W178 VanDerWaalsContact CG2-CD1 3.44Å; S176-W178 PolarHBondContact O-N 3.48Å; S176-W178 PolarHBondContact OG-N 3.3Å; W178-K180 PolarHBondContact O-N 2.85Å; W178-K180 VanDerWaalsContact O-N 3.15Å; W178-R181 PolarHBondContact O-N 3.06Å; W178-I182 HydrophobicContact CE3-CD1 3.56Å; W178-I182 HydrophobicContact CE3-CG1 4.09Å; W178-I182 HydrophobicContact CZ3-CD1 3.72Å; W178-I182 HydrophobicContact CZ3-CG1 4.4Å; W178-I182 PolarHBondContact O-N 3.27Å; W178-F247 HydrophobicContact CB-CD2 4.28Å; W178-F247 HydrophobicContact CB-CE2 4.33Å; W178-F247 AromaticContact CD2-CD2 3.78Å; W178-F247 HydrophobicContact CD2-CD2 3.78Å; W178-F247 HydrophobicContact CE3-CB 4.22Å; W178-F247 AromaticContact CE3-CD2 3.42Å; W178-F247 HydrophobicContact CE3-CD2 3.42Å; W178-F247 VanDerWaalsContact CE3-CD2 3.42Å; W178-F247 HydrophobicContact CE3-CE2 4.16Å; W178-F247 HydrophobicContact CE3-CG 4.17Å; W178-F247 HydrophobicContact CG-CD2 4.18Å; W178-F247 HydrophobicContact CH2-CB 4.15Å; W178-F247 HydrophobicContact CZ2-CB 4.49Å; W178-F247 HydrophobicContact CZ3-CB 3.99Å; W178-F247 AromaticContact CZ3-CD2 3.99Å; W178-F247 HydrophobicContact CZ3-CD2 3.99Å; W178-F247 HydrophobicContact CZ3-CG 4.29Å; W178-Q282 HydrophobicContact CE3-CG 4.39Å; W178-Q282 HydrophobicContact CH2-CG 4.31Å; W178-Q282 HydrophobicContact CZ3-CB 4.39Å; W178-Q282 HydrophobicContact CZ3-CG 3.65Å
179K93.3Very high91.5Very high81 Ų8148.7 Ų48.735%0.35224%0.239SC..Hα-helixtrans-58.7-23.5175-65.4-167.9177-166.60113.9D177 D245 Q282D177-K179 PolarHBondContact O-N 2.97Å; K179-D245 WeakPolarHBondContact CE-O 3.41Å; K179-D245 PolarHBondContact NZ-O 2.9Å; K179-Q282 HydrophobicContact CB-CG 4.31Å; K179-Q282 HydrophobicContact CG-CG 4.2Å; K179-Q282 PolarHBondContact O-NE2 3.48Å
180K92.2Very high90.9Very high182 Ų18251.4 Ų51.479%0.79126%0.261SS*.Hα-helixtrans-89-15.1175.6-61.5-177.3-176.8173.90113D177 W178D177-K180 HydrophobicContact CB-CD 4.3Å; D177-K180 WeakPolarHBondContact O-CB 3.17Å; D177-K180 PolarHBondContact O-N 2.76Å; W178-K180 PolarHBondContact O-N 2.85Å; W178-K180 VanDerWaalsContact O-N 3.15Å
181R91.8Very high89.9Confident79 Ų7952.5 Ų52.530%0.29827%0.265SS..Hα-helixtrans-100.3-18.5-172.4-64176.365.4-177-3.5112.9E108 I112 W178E108-R181 HydrophobicContact CB-CB 4.48Å; E108-R181 HydrophobicContact CG-CB 4.48Å; E108-R181 IonicContact OE2-CZ 3.25Å; E108-R181 IonicContact OE2-NE 3.52Å; E108-R181 PolarHBondContact OE2-NE 3.46Å; E108-R181 IonicContact OE2-NH2 3.94Å; E108-R181 PolarHBondContact OE2-NH2 3.31Å; I112-R181 HydrophobicContact CD1-CB 3.93Å; I112-R181 VanDerWaalsContact CG1-NH1 3.26Å; W178-R181 PolarHBondContact O-N 3.06Å
182I93.2Very high89Confident9 Ų954.1 Ų54.15%0.04627%0.271CS..SBendtrans-120.6156.3177.773.4178.1000111.7E108 W178 F247 H281 Q282E108-I182 HydrophobicContact CB-CG2 4.45Å; W178-I182 HydrophobicContact CE3-CD1 3.56Å; W178-I182 HydrophobicContact CE3-CG1 4.09Å; W178-I182 HydrophobicContact CZ3-CD1 3.72Å; W178-I182 HydrophobicContact CZ3-CG1 4.4Å; W178-I182 PolarHBondContact O-N 3.27Å; I182-F247 HydrophobicContact CD1-CD1 4.43Å; I182-F247 HydrophobicContact CD1-CD2 3.7Å; I182-F247 HydrophobicContact CD1-CE1 4.32Å; I182-F247 HydrophobicContact CD1-CE2 3.57Å; I182-F247 HydrophobicContact CD1-CG 4.13Å; I182-F247 HydrophobicContact CD1-CZ 3.89Å; I182-F247 HydrophobicContact CG2-CE2 4.07Å; I182-F247 HydrophobicContact CG2-CZ 4.1Å; I182-H281 VanDerWaalsContact CD1-C 3.41Å; I182-Q282 HydrophobicContact CD1-CG 4.42Å; I182-Q282 HydrophobicContact CG1-CG 4.14Å; I182-Q282 PolarHBondContact O-NE2 2.87Å
183P92.5Very high88Confident19 Ų1954.5 Ų54.512%0.12328%0.275CS..  trans-54.6148.6179.6-26.835000113.7S105 H281 Q282S105-P183 VanDerWaalsContact OG-CD 3.31Å; S105-P183 WeakPolarHBondContact OG-CD 3.39Å; P183-H281 HydrophobicContact CB-CB 4.2Å; P183-H281 CarbonylContact O-C 3.58Å; P183-H281 WeakPolarHBondContact O-CA 3.45Å; P183-H281 WeakPolarHBondContact O-CB 3.43Å; P183-Q282 PolarHBondContact O-N 3.42Å
184S92.6Very high86.9Confident34 Ų3454.2 Ų54.224%0.23828%0.283CS..  trans-77.6166.317383.80000112E186 S187 T188S184-E186 VanDerWaalsContact C-N 3.25Å; S184-E186 VanDerWaalsContact CB-OE2 3.24Å; S184-E186 WeakPolarHBondContact CB-OE2 3.28Å; S184-E186 PolarHBondContact O-N 3.09Å; S184-E186 PolarHBondContact OG-N 2.71Å; S184-E186 PolarHBondContact OG-OE2 2.83Å; S184-S187 PolarHBondContact O-N 2.94Å; S184-S187 PolarHBondContact OG-N 3.38Å; S184-T188 WeakPolarHBondContact O-CB 3.49Å; S184-T188 PolarHBondContact O-N 2.67Å; S184-T188 PolarHBondContact O-OG1 3.18Å
185A89.6Confident85.7Confident0 Ų054.1 Ų54.10%028%0.281CS..Hα-helixtrans-57.6-41.1173.600000111.3T188 F189 V237 Q282A185-T188 PolarHBondContact O-N 2.86Å; A185-F189 WeakPolarHBondContact O-CB 3.09Å; A185-F189 PolarHBondContact O-N 2.95Å; A185-V237 HydrophobicContact CB-CG1 4.1Å; A185-Q282 WeakPolarHBondContact CA-O 3.49Å; A185-Q282 VanDerWaalsContact CB-O 3.24Å; A185-Q282 WeakPolarHBondContact CB-O 3.45Å; A185-Q282 PolarHBondContact N-O 3.14Å
186E90.5Very high84.9Confident69 Ų6944.4 Ų44.432%0.32224%0.24SC..Hα-helixtrans-67.3-43.5-179.7-5878.6-173.600112S184 T188 F189 A190 F233 V237 R240S184-E186 VanDerWaalsContact C-N 3.25Å; S184-E186 VanDerWaalsContact CB-OE2 3.24Å; S184-E186 WeakPolarHBondContact CB-OE2 3.28Å; S184-E186 PolarHBondContact O-N 3.09Å; S184-E186 PolarHBondContact OG-N 2.71Å; S184-E186 PolarHBondContact OG-OE2 2.83Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 3.08Å; E186-F189 PolarHBondContact O-N 3.06Å; E186-A190 WeakPolarHBondContact O-CB 3.42Å; E186-A190 PolarHBondContact O-N 3.18Å; E186-F233 HydrophobicContact CG-CE2 4.23Å; E186-F233 HydrophobicContact CG-CZ 4.35Å; E186-V237 HydrophobicContact CG-CG1 4.47Å; E186-R240 IonicContact OE1-CZ 2.69Å; E186-R240 IonicContact OE1-NH1 3.67Å; E186-R240 PolarHBondContact OE1-NH1 3.12Å; E186-R240 IonicContact OE1-NH2 3.75Å; E186-R240 PolarHBondContact OE1-NH2 3.22Å; E186-R240 IonicContact OE2-NH2 2.62Å
187S86.8Confident83.9Confident46 Ų4649.3 Ų49.332%0.32226%0.26SS..Hα-helixtrans-61.7-43.6174.7175.80000110.8S184 F189 A190 R191S184-S187 PolarHBondContact O-N 2.94Å; S184-S187 PolarHBondContact OG-N 3.38Å; S187-F189 PolarHBondContact O-N 2.82Å; S187-A190 PolarHBondContact O-N 3.08Å; S187-R191 WeakPolarHBondContact O-CG 3.35Å; S187-R191 PolarHBondContact O-N 2.9Å; S187-R191 VanDerWaalsContact O-N 3.09Å
188T87.4Confident82.8Confident11 Ų1147.5 Ų47.57%0.06725%0.252CS..Hα-helixtrans-63.6-43.5177.4-570000111.7S184 A185 E186 A190 R191 F192 F236 H281S184-T188 WeakPolarHBondContact O-CB 3.49Å; S184-T188 PolarHBondContact O-N 2.67Å; S184-T188 PolarHBondContact O-OG1 3.18Å; A185-T188 PolarHBondContact O-N 2.86Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 3.08Å; T188-A190 PolarHBondContact O-N 3.46Å; T188-R191 PolarHBondContact O-N 2.81Å; T188-F192 PolarHBondContact O-N 2.87Å; T188-F236 HydrophobicContact CG2-CE1 4.03Å; T188-H281 VanDerWaalsContact OG1-CB 3.23Å; T188-H281 WeakPolarHBondContact OG1-CB 3.5Å
189F85.9Confident81.6Confident24 Ų2449.6 Ų49.611%0.10526%0.261CS..Hα-helixtrans-61.8-41174.9176-107.4000112.5A185 E186 S187 R191 F192 C193 K229 L232 F233 F236A185-F189 WeakPolarHBondContact O-CB 3.09Å; A185-F189 PolarHBondContact O-N 2.95Å; E186-F189 PolarHBondContact O-N 3.06Å; S187-F189 PolarHBondContact O-N 2.82Å; F189-R191 PolarHBondContact O-N 3.39Å; F189-F192 WeakPolarHBondContact O-CB 3.1Å; F189-F192 PolarHBondContact O-N 2.87Å; F189-C193 VanDerWaalsContact CE1-SG 3.53Å; F189-C193 WeakPolarHBondContact CE2-SG 3.36Å; F189-C193 WeakPolarHBondContact CZ-SG 3.49Å; F189-C193 PolarHBondContact O-N 2.95Å; F189-C193 PolarHBondContact O-SG 3.02Å; F189-C193 VanDerWaalsContact O-SG 3.38Å; F189-K229 WeakPolarHBondContact CZ-O 3.34Å; F189-L232 HydrophobicContact CE2-CB 3.83Å; F189-L232 HydrophobicContact CZ-CB 4.44Å; F189-F233 HydrophobicContact CB-CD2 4.5Å; F189-F233 AromaticContact CD1-CD2 3.47Å; F189-F233 HydrophobicContact CD1-CD2 3.47Å; F189-F233 VanDerWaalsContact CD1-CD2 3.47Å; F189-F233 HydrophobicContact CD1-CE2 4.11Å; F189-F233 HydrophobicContact CD1-CG 4.43Å; F189-F233 HydrophobicContact CD2-CD2 4.43Å; F189-F233 HydrophobicContact CE1-CB 3.96Å; F189-F233 AromaticContact CE1-CD2 3.63Å; F189-F233 HydrophobicContact CE1-CD2 3.63Å; F189-F233 HydrophobicContact CE1-CG 4.17Å; F189-F233 HydrophobicContact CE2-CB 4.14Å; F189-F233 AromaticContact CG-CD2 3.88Å; F189-F233 HydrophobicContact CG-CD2 3.88Å; F189-F233 HydrophobicContact CZ-CB 3.72Å; F189-F233 HydrophobicContact CZ-CD2 4.18Å; F189-F233 HydrophobicContact CZ-CG 4.42Å; F189-F236 HydrophobicContact CB-CB 4.38Å; F189-F236 HydrophobicContact CB-CD1 4.28Å; F189-F236 HydrophobicContact CB-CD2 4.29Å; F189-F236 HydrophobicContact CB-CG 4.06Å; F189-F236 AromaticContact CD2-CD2 3.54Å; F189-F236 HydrophobicContact CD2-CD2 3.54Å; F189-F236 AromaticContact CD2-CE2 3.82Å; F189-F236 HydrophobicContact CD2-CE2 3.82Å; F189-F236 HydrophobicContact CD2-CG 4.13Å; F189-F236 HydrophobicContact CE2-CD2 4.33Å; F189-F236 HydrophobicContact CG-CD2 4.33Å
190A81.3Confident80.4Confident59 Ų5946.4 Ų46.449%0.48825%0.25SC..Hα-helixtrans-61.2-44176.800000111.6E186 S187 T188 F192 C193 A194E186-A190 WeakPolarHBondContact O-CB 3.42Å; E186-A190 PolarHBondContact O-N 3.18Å; S187-A190 PolarHBondContact O-N 3.08Å; T188-A190 PolarHBondContact O-N 3.46Å; A190-F192 VanDerWaalsContact C-N 3.35Å; A190-C193 PolarHBondContact O-N 3.03Å; A190-A194 PolarHBondContact O-N 3.18Å
191R76.6Confident79.4Confident35 Ų3541.3 Ų41.313%0.13224%0.237CC..Hα-helixtrans-63.2-40.3173.2-64.6-175.2-42.2-147.62.7112.1S187 T188 F189 A194 N195S187-R191 WeakPolarHBondContact O-CG 3.35Å; S187-R191 PolarHBondContact O-N 2.9Å; S187-R191 VanDerWaalsContact O-N 3.09Å; T188-R191 PolarHBondContact O-N 2.81Å; F189-R191 PolarHBondContact O-N 3.39Å; R191-A194 PolarHBondContact O-N 2.72Å; R191-N195 PolarHBondContact O-ND2 3.09Å; R191-N195 VanDerWaalsContact O-ND2 3.15Å
192F77.8Confident78.4Confident39 Ų3942.1 Ų42.117%0.17124%0.24CC..Hα-helixtrans-62.2-47.7177172.6-95.6000111.5T188 F189 A190 A194 N195 V196 L232 F236 M347T188-F192 PolarHBondContact O-N 2.87Å; F189-F192 WeakPolarHBondContact O-CB 3.1Å; F189-F192 PolarHBondContact O-N 2.87Å; A190-F192 VanDerWaalsContact C-N 3.35Å; F192-A194 PolarHBondContact O-N 3.19Å; F192-N195 PolarHBondContact O-N 3.3Å; F192-V196 HydrophobicContact CE1-CB 3.99Å; F192-V196 HydrophobicContact CE1-CG2 3.68Å; F192-V196 HydrophobicContact CE2-CG2 4.33Å; F192-V196 HydrophobicContact CZ-CB 4.07Å; F192-V196 HydrophobicContact CZ-CG2 3.45Å; F192-V196 VanDerWaalsContact CZ-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.38Å; F192-L232 HydrophobicContact CE1-CD1 4.29Å; F192-F236 HydrophobicContact CB-CZ 4.34Å; F192-F236 HydrophobicContact CD1-CE2 4.37Å; F192-F236 HydrophobicContact CG-CZ 4.28Å; F192-M347 HydrophobicContact CE1-CE 3.87Å; F192-M347 HydrophobicContact CE1-SD 4.32Å; F192-M347 HydrophobicContact CE2-CE 4.28Å; F192-M347 HydrophobicContact CE2-CG 4.23Å; F192-M347 HydrophobicContact CE2-SD 3.66Å; F192-M347 HydrophobicContact CZ-CE 3.55Å; F192-M347 HydrophobicContact CZ-CG 3.78Å; F192-M347 HydrophobicContact CZ-SD 3.44Å; F192-M347 WeakPolarHBondContact CZ-SD 3.31Å
193C73.5Confident77.7Confident21 Ų2141.8 Ų41.814%0.14224%0.239CC..Hα-helixtrans-58.6-35.4178.3-75.30000112.7F189 A190 N195F189-C193 VanDerWaalsContact CE1-SG 3.53Å; F189-C193 WeakPolarHBondContact CE2-SG 3.36Å; F189-C193 WeakPolarHBondContact CZ-SG 3.49Å; F189-C193 PolarHBondContact O-N 2.95Å; F189-C193 PolarHBondContact O-SG 3.02Å; F189-C193 VanDerWaalsContact O-SG 3.38Å; A190-C193 PolarHBondContact O-N 3.03Å; C193-N195 PolarHBondContact O-N 2.9Å
194A68.8Low77.2Confident66 Ų6643 Ų4355%0.54525%0.247SC..Hα-helixtrans-63.6-22.2175.700000113.3A190 R191 F192A190-A194 PolarHBondContact O-N 3.18Å; R191-A194 PolarHBondContact O-N 2.72Å; F192-A194 PolarHBondContact O-N 3.19Å
195N67.7Low76.5Confident33 Ų3345 Ų4518%0.17625%0.254CS..Hα-helixtrans-107.7-20.8-176.8-65.8-44.1000114R191 F192 C193 E197 V198 F199R191-N195 PolarHBondContact O-ND2 3.09Å; R191-N195 VanDerWaalsContact O-ND2 3.15Å; F192-N195 PolarHBondContact O-N 3.3Å; C193-N195 PolarHBondContact O-N 2.9Å; N195-E197 VanDerWaalsContact C-N 3.28Å; N195-E197 PolarHBondContact O-N 3.24Å; N195-V198 WeakPolarHBondContact O-CB 3.49Å; N195-V198 PolarHBondContact O-N 3.24Å; N195-F199 HydrophobicContact CB-CD2 4.27Å; N195-F199 HydrophobicContact CB-CE2 3.65Å; N195-F199 HydrophobicContact CB-CZ 4.16Å; N195-F199 VanDerWaalsContact O-CD2 3.25Å; N195-F199 WeakPolarHBondContact O-CD2 3.38Å; N195-F199 PolarHBondContact O-N 3.28Å; N195-F199 VanDerWaalsContact O-N 3.12Å
196V69.9Low75.9Confident12 Ų1245 Ų457%0.07326%0.255CS..Hα-helixtrans-60.3-37.5-173.989.20000112.7F192 V198 F199 A200 L226F192-V196 HydrophobicContact CE1-CB 3.99Å; F192-V196 HydrophobicContact CE1-CG2 3.68Å; F192-V196 HydrophobicContact CE2-CG2 4.33Å; F192-V196 HydrophobicContact CZ-CB 4.07Å; F192-V196 HydrophobicContact CZ-CG2 3.45Å; F192-V196 VanDerWaalsContact CZ-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.38Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 2.84Å; V196-F199 PolarHBondContact O-N 3.21Å; V196-A200 WeakPolarHBondContact O-CB 3.37Å; V196-A200 PolarHBondContact O-N 3.27Å; V196-L226 HydrophobicContact CG2-CB 4.49Å; V196-L226 HydrophobicContact CG2-CD1 4.41Å; V196-L226 HydrophobicContact CG2-CD2 4.32Å
197E67.2Low75.5Confident127 Ų12743.5 Ų43.559%0.59325%0.249SC*.Hα-helixtrans-66.8-36.6177.8-67.5175.2-170.100111.4N195 S201 K229N195-E197 VanDerWaalsContact C-N 3.28Å; N195-E197 PolarHBondContact O-N 3.24Å; E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.35Å; E197-S201 PolarHBondContact O-N 3.3Å; E197-S201 PolarHBondContact O-OG 2.85Å; E197-K229 IonicContact OE1-NZ 3.65Å
198V67Low75.3Confident48 Ų4848.8 Ų48.829%0.29127%0.266SS..Hα-helixtrans-66.1-44.6177.1-178.10000110.4M87 N195 V196 S201M87-V198 HydrophobicContact CG-CG1 4.4Å; N195-V198 WeakPolarHBondContact O-CB 3.49Å; N195-V198 PolarHBondContact O-N 3.24Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 2.84Å; V198-S201 PolarHBondContact O-OG 3.5Å
199F67.6Low75Confident47 Ų4753.4 Ų53.421%0.20629%0.287CS..Hα-helixtrans-64.7-49.1177.1-60.6-47.9000111.8M87 N195 V196 S201 R202 G350 A351M87-F199 HydrophobicContact SD-CE1 3.89Å; M87-F199 HydrophobicContact SD-CZ 4.39Å; N195-F199 HydrophobicContact CB-CD2 4.27Å; N195-F199 HydrophobicContact CB-CE2 3.65Å; N195-F199 HydrophobicContact CB-CZ 4.16Å; N195-F199 VanDerWaalsContact O-CD2 3.25Å; N195-F199 WeakPolarHBondContact O-CD2 3.38Å; N195-F199 PolarHBondContact O-N 3.28Å; N195-F199 VanDerWaalsContact O-N 3.12Å; V196-F199 PolarHBondContact O-N 3.21Å; F199-S201 VanDerWaalsContact C-N 3.29Å; F199-S201 PolarHBondContact O-N 3.26Å; F199-R202 PolarHBondContact O-N 3.14Å; F199-R202 VanDerWaalsContact O-N 3.11Å; F199-G350 CarbonylContact C-O 3.26Å; F199-A351 HydrophobicContact CD1-CB 4.41Å
200A68.2Low74.8Confident14 Ų1453.5 Ų53.512%0.11629%0.287CS..Hα-helixtrans-59-38.7178.700000112.6V196 R202 L203V196-A200 WeakPolarHBondContact O-CB 3.37Å; V196-A200 PolarHBondContact O-N 3.27Å; A200-R202 PolarHBondContact O-N 2.89Å; A200-R202 VanDerWaalsContact O-N 3.11Å; A200-L203 PolarHBondContact O-N 3.23Å
201S71.3Confident74.9Confident75 Ų7554.2 Ų54.252%0.52429%0.287SS..Hα-helixtrans-62.3-18.9179.275.80000114.5E197 V198 F199E197-S201 VanDerWaalsContact O-CB 3.3Å; E197-S201 WeakPolarHBondContact O-CB 3.35Å; E197-S201 PolarHBondContact O-N 3.3Å; E197-S201 PolarHBondContact O-OG 2.85Å; V198-S201 PolarHBondContact O-OG 3.5Å; F199-S201 VanDerWaalsContact C-N 3.29Å; F199-S201 PolarHBondContact O-N 3.26Å
202R70.8Confident75.1Confident96 Ų9659.9 Ų59.936%0.36232%0.315SS..Hα-helixtrans-100.6-13.4-176.6-67-61-166.8165.14.5114.5G86 F199 A200 P204 D205 A206G86-R202 PolarHBondContact O-NH2 3.06Å; G86-R202 VanDerWaalsContact O-NH2 3.14Å; F199-R202 PolarHBondContact O-N 3.14Å; F199-R202 VanDerWaalsContact O-N 3.11Å; A200-R202 PolarHBondContact O-N 2.89Å; A200-R202 VanDerWaalsContact O-N 3.11Å; R202-P204 VanDerWaalsContact C-N 3.27Å; R202-D205 IonicContact NH1-OD2 3.59Å; R202-D205 PolarHBondContact NH1-OD2 2.79Å; R202-D205 VanDerWaalsContact NH1-OD2 3.12Å; R202-D205 WeakPolarHBondContact O-CB 3.34Å; R202-D205 PolarHBondContact O-N 3.25Å; R202-A206 PolarHBondContact O-N 3.23Å
203L79Confident75.2Confident2 Ų260.8 Ų60.81%0.0132%0.319CS..Hα-helixtrans-54.4-37.6176.2-174.354000113A200 D205 A206 I207 V217 L219 V222 I349A200-L203 PolarHBondContact O-N 3.23Å; L203-D205 VanDerWaalsContact C-N 3.31Å; L203-D205 PolarHBondContact O-N 2.66Å; L203-A206 PolarHBondContact O-N 3.21Å; L203-I207 HydrophobicContact CD1-CD1 4.38Å; L203-I207 HydrophobicContact CD1-CG1 4.31Å; L203-I207 HydrophobicContact CG-CD1 4.06Å; L203-I207 HydrophobicContact CG-CG1 4.48Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 3.06Å; L203-V217 HydrophobicContact CD2-CG1 4.19Å; L203-L219 HydrophobicContact CB-CD2 3.88Å; L203-L219 HydrophobicContact CD2-CD2 3.63Å; L203-L219 HydrophobicContact CG-CD2 3.5Å; L203-V222 HydrophobicContact CD2-CB 4.12Å; L203-V222 HydrophobicContact CD2-CG1 3.84Å; L203-V222 HydrophobicContact CD2-CG2 4.02Å; L203-I349 HydrophobicContact CD1-CG1 3.96Å; L203-I349 WeakPolarHBondContact CD1-O 3.36Å; L203-I349 HydrophobicContact CD2-CG1 4.49Å
204P82.4Confident75.8Confident46 Ų4659.9 Ų59.930%0.29931%0.313SS..Hα-helixtrans-60.4-33.8173.8-25.135.5000114.6R202 K208 L219R202-P204 VanDerWaalsContact C-N 3.27Å; P204-K208 VanDerWaalsContact O-CG 3.3Å; P204-K208 WeakPolarHBondContact O-CG 3.28Å; P204-K208 PolarHBondContact O-N 2.83Å; P204-K208 VanDerWaalsContact O-N 3.11Å; P204-L219 HydrophobicContact CB-CD1 4.49Å; P204-L219 HydrophobicContact CG-CD1 4.17Å; P204-L219 HydrophobicContact CG-CD2 4.16Å
205D76.2Confident76.5Confident74 Ų7465.1 Ų65.140%0.39632%0.324SS..Hα-helixtrans-71.3-40.5177.6-68.6-25000110.7R202 L203 K208 Q209R202-D205 IonicContact NH1-OD2 3.59Å; R202-D205 PolarHBondContact NH1-OD2 2.79Å; R202-D205 VanDerWaalsContact NH1-OD2 3.12Å; R202-D205 WeakPolarHBondContact O-CB 3.34Å; R202-D205 PolarHBondContact O-N 3.25Å; L203-D205 VanDerWaalsContact C-N 3.31Å; L203-D205 PolarHBondContact O-N 2.66Å; D205-K208 WeakPolarHBondContact O-CB 3.16Å; D205-K208 PolarHBondContact O-N 2.72Å; D205-Q209 PolarHBondContact O-N 2.88Å
206A77Confident77.1Confident2 Ų266.4 Ų66.42%0.01734%0.339CS..Hα-helixtrans-65.3-40.2176.100000112R202 L203 K208 Q209 F210 M214 V352R202-A206 PolarHBondContact O-N 3.23Å; L203-A206 PolarHBondContact O-N 3.21Å; A206-K208 VanDerWaalsContact C-N 3.32Å; A206-K208 PolarHBondContact O-N 3.33Å; A206-Q209 PolarHBondContact O-N 3.28Å; A206-Q209 VanDerWaalsContact O-N 3.16Å; A206-F210 PolarHBondContact O-N 3.48Å; A206-M214 HydrophobicContact CB-CE 3.92Å; A206-M214 HydrophobicContact CB-SD 4.15Å; A206-V352 HydrophobicContact CB-CG1 3.93Å
207I82.8Confident77.8Confident36 Ų3666.6 Ų66.619%0.18534%0.34CS..Hα-helixtrans-61.8-39.7174-69.2169.9000111L203 Q209 F210 P211 M214 V217 L219L203-I207 HydrophobicContact CD1-CD1 4.38Å; L203-I207 HydrophobicContact CD1-CG1 4.31Å; L203-I207 HydrophobicContact CG-CD1 4.06Å; L203-I207 HydrophobicContact CG-CG1 4.48Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 3.06Å; I207-Q209 VanDerWaalsContact C-N 3.32Å; I207-Q209 PolarHBondContact O-N 3.5Å; I207-F210 CarbonylContact O-C 3.45Å; I207-F210 PolarHBondContact O-N 2.91Å; I207-P211 WeakPolarHBondContact O-CA 3.45Å; I207-P211 VanDerWaalsContact O-N 3.09Å; I207-M214 HydrophobicContact CB-SD 4.37Å; I207-M214 HydrophobicContact CG1-CB 4.07Å; I207-M214 HydrophobicContact CG1-SD 3.71Å; I207-V217 HydrophobicContact CD1-CG1 4.45Å; I207-L219 HydrophobicContact CD1-CD1 3.85Å; I207-L219 HydrophobicContact CD1-CD2 3.53Å; I207-L219 HydrophobicContact CD1-CG 3.5Å
208K83.8Confident78.5Confident157 Ų15763.4 Ų63.468%0.68333%0.327SS*.Hα-helixtrans-65.9-34.1175-73.7170.2-174.2170.20112.7P204 D205 A206P204-K208 VanDerWaalsContact O-CG 3.3Å; P204-K208 WeakPolarHBondContact O-CG 3.28Å; P204-K208 PolarHBondContact O-N 2.83Å; P204-K208 VanDerWaalsContact O-N 3.11Å; D205-K208 WeakPolarHBondContact O-CB 3.16Å; D205-K208 PolarHBondContact O-N 2.72Å; A206-K208 VanDerWaalsContact C-N 3.32Å; A206-K208 PolarHBondContact O-N 3.33Å
209Q79.6Confident79.2Confident108 Ų10863.7 Ų63.751%0.50533%0.327SS..Hα-helixtrans-75.4-33.5179.2-167.6177.91000112.3D205 A206 I207 P211D205-Q209 PolarHBondContact O-N 2.88Å; A206-Q209 PolarHBondContact O-N 3.28Å; A206-Q209 VanDerWaalsContact O-N 3.16Å; I207-Q209 VanDerWaalsContact C-N 3.32Å; I207-Q209 PolarHBondContact O-N 3.5Å; Q209-P211 VanDerWaalsContact C-CD 3.5Å
210F82.4Confident79.7Confident27 Ų2768.8 Ų68.812%0.11835%0.351CS..SBendtrans-130.660-177.7-57.6-82.2000112.7A206 I207 E212 Q213 M214 I356 A367 V371A206-F210 PolarHBondContact O-N 3.48Å; I207-F210 CarbonylContact O-C 3.45Å; I207-F210 PolarHBondContact O-N 2.91Å; F210-E212 PolarHBondContact O-N 2.82Å; F210-Q213 HydrophobicContact CB-CB 4.38Å; F210-Q213 PolarHBondContact O-N 2.97Å; F210-M214 HydrophobicContact CB-CG 4.36Å; F210-M214 WeakPolarHBondContact O-CB 3.33Å; F210-M214 PolarHBondContact O-N 3.43Å; F210-I356 HydrophobicContact CD2-CD1 4.15Å; F210-I356 HydrophobicContact CE2-CD1 3.5Å; F210-I356 HydrophobicContact CZ-CD1 4.1Å; F210-I356 HydrophobicContact CZ-CG2 4.42Å; F210-A367 HydrophobicContact CZ-CB 4.2Å; F210-V371 HydrophobicContact CB-CG1 4.06Å; F210-V371 HydrophobicContact CB-CG2 4.32Å; F210-V371 HydrophobicContact CD1-CG2 4.18Å; F210-V371 HydrophobicContact CD2-CG2 3.65Å; F210-V371 HydrophobicContact CE1-CG2 4.41Å; F210-V371 HydrophobicContact CE2-CG2 3.93Å; F210-V371 HydrophobicContact CG-CG1 4.39Å; F210-V371 HydrophobicContact CG-CG2 3.79Å; F210-V371 HydrophobicContact CZ-CG2 4.3Å
211P82.7Confident80.1Confident74 Ų7471.5 Ų71.548%0.48136%0.36SS..THydrogen-bonded Turntrans-65.8-37.1-169.525.1-34.2000113.4I207 Q209 K215I207-P211 WeakPolarHBondContact O-CA 3.45Å; I207-P211 VanDerWaalsContact O-N 3.09Å; Q209-P211 VanDerWaalsContact C-CD 3.5Å; P211-K215 PolarHBondContact O-N 2.87Å
212E81.4Confident80.6Confident154 Ų15468 Ų6872%0.7234%0.335SS*.THydrogen-bonded Turntrans-68.7-43.6179-72.8-60.2135.800111.7F210F210-E212 PolarHBondContact O-N 2.82Å
213Q79.9Confident81.1Confident57 Ų5766.9 Ų66.927%0.26634%0.337SS..THydrogen-bonded Turntrans-72.2-34.7-179-61.585.2-15.700111.9F210 K368 V371 V375F210-Q213 HydrophobicContact CB-CB 4.38Å; F210-Q213 PolarHBondContact O-N 2.97Å; Q213-K368 HydrophobicContact CG-CG 4.42Å; Q213-V371 HydrophobicContact CB-CG1 3.59Å; Q213-V371 HydrophobicContact CG-CG1 4.44Å; Q213-V375 WeakPolarHBondContact O-CG2 3.45Å
214M86.9Confident80.9Confident2 Ų269.1 Ų69.11%0.0136%0.356CS..THydrogen-bonded Turntrans-93.310.2-177.5-63.9-16517700114.5A206 I207 F210 A216 V217 V352 V371 V375A206-M214 HydrophobicContact CB-CE 3.92Å; A206-M214 HydrophobicContact CB-SD 4.15Å; I207-M214 HydrophobicContact CB-SD 4.37Å; I207-M214 HydrophobicContact CG1-CB 4.07Å; I207-M214 HydrophobicContact CG1-SD 3.71Å; F210-M214 HydrophobicContact CB-CG 4.36Å; F210-M214 WeakPolarHBondContact O-CB 3.33Å; F210-M214 PolarHBondContact O-N 3.43Å; M214-A216 PolarHBondContact O-N 3.13Å; M214-V217 HydrophobicContact CB-CG2 4.27Å; M214-V217 WeakPolarHBondContact O-CB 3.27Å; M214-V217 PolarHBondContact O-N 2.81Å; M214-V352 HydrophobicContact CE-CG1 3.49Å; M214-V352 VanDerWaalsContact CE-CG1 3.49Å; M214-V352 HydrophobicContact CE-CG2 4.37Å; M214-V371 HydrophobicContact CE-CB 4.26Å; M214-V371 HydrophobicContact CE-CG1 3.55Å; M214-V371 HydrophobicContact CE-CG2 3.89Å; M214-V371 HydrophobicContact CG-CG1 3.73Å; M214-V375 HydrophobicContact CB-CG2 4.41Å; M214-V375 HydrophobicContact CG-CG2 3.92Å
215K82.4Confident80.7Confident176 Ų17667.9 Ų67.977%0.76535%0.346SS*.THydrogen-bonded Turntrans-55.2-28.7-177.9-173.8177.2178.5179.90114.3P211 V217P211-K215 PolarHBondContact O-N 2.87Å; K215-V217 VanDerWaalsContact C-N 3.31Å
216A80.5Confident80.9Confident60 Ų6065 Ų6550%0.49633%0.331SS..THydrogen-bonded Turntrans-77.3-13.8178.300000113.8M214 V375 Y378 V379M214-A216 PolarHBondContact O-N 3.13Å; A216-V375 HydrophobicContact CB-CG1 4.15Å; A216-Y378 VanDerWaalsContact O-CE1 3.26Å; A216-Y378 WeakPolarHBondContact O-CE1 3.47Å; A216-V379 HydrophobicContact CB-CG2 4.06Å
217V84Confident81Confident16 Ų1668.7 Ų68.710%0.09736%0.357CS..  trans-83.8117.2-173.6-177.60000110.8L203 I207 M214 K215 V222 I349 V375 Y378L203-V217 HydrophobicContact CD2-CG1 4.19Å; I207-V217 HydrophobicContact CD1-CG1 4.45Å; M214-V217 HydrophobicContact CB-CG2 4.27Å; M214-V217 WeakPolarHBondContact O-CB 3.27Å; M214-V217 PolarHBondContact O-N 2.81Å; K215-V217 VanDerWaalsContact C-N 3.31Å; V217-V222 HydrophobicContact CG1-CG2 4.15Å; V217-I349 HydrophobicContact CG1-CG1 4.1Å; V217-I349 HydrophobicContact CG2-CD1 3.9Å; V217-I349 HydrophobicContact CG2-CG1 4.16Å; V217-V375 HydrophobicContact CG2-CG1 4.41Å; V217-V375 HydrophobicContact CG2-CG2 3.92Å; V217-Y378 HydrophobicContact CB-CD1 4.49Å; V217-Y378 HydrophobicContact CB-CE1 4.45Å; V217-Y378 HydrophobicContact CG2-CD1 4.09Å; V217-Y378 HydrophobicContact CG2-CG 4.43Å
218D82.1Confident80.8Confident60 Ų6072.3 Ų72.332%0.32137%0.371SS..  trans-94.1109.7172-176-23.3000110.5Q220 K221 V222 Y378D218-Q220 VanDerWaalsContact C-N 3.29Å; D218-Q220 PolarHBondContact O-N 2.82Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.4Å; D218-Q220 PolarHBondContact OD1-N 3.19Å; D218-K221 HydrophobicContact CB-CB 4.08Å; D218-K221 HydrophobicContact CB-CD 4.05Å; D218-K221 HydrophobicContact CB-CG 4.04Å; D218-K221 PolarHBondContact O-N 3.42Å; D218-K221 PolarHBondContact OD1-N 3.43Å; D218-K221 WeakPolarHBondContact OD2-CE 3.43Å; D218-K221 WeakPolarHBondContact OD2-CG 3.09Å; D218-V222 WeakPolarHBondContact O-CG2 3.27Å; D218-V222 PolarHBondContact O-N 3.16Å; D218-Y378 WeakPolarHBondContact CB-OH 3.32Å; D218-Y378 PolarHBondContact N-OH 2.71Å; D218-Y378 VanDerWaalsContact N-OH 3.08Å
219L81.5Confident80.6Confident54 Ų5469.5 Ų69.528%0.28336%0.359SS..Hα-helixtrans-57.3-38.3178.5-78.6172.5000113L203 P204 I207 N223L203-L219 HydrophobicContact CB-CD2 3.88Å; L203-L219 HydrophobicContact CD2-CD2 3.63Å; L203-L219 HydrophobicContact CG-CD2 3.5Å; P204-L219 HydrophobicContact CB-CD1 4.49Å; P204-L219 HydrophobicContact CG-CD1 4.17Å; P204-L219 HydrophobicContact CG-CD2 4.16Å; I207-L219 HydrophobicContact CD1-CD1 3.85Å; I207-L219 HydrophobicContact CD1-CD2 3.53Å; I207-L219 HydrophobicContact CD1-CG 3.5Å; L219-N223 WeakPolarHBondContact O-CB 3.16Å; L219-N223 VanDerWaalsContact O-CG 3.28Å; L219-N223 PolarHBondContact O-N 3.36Å; L219-N223 PolarHBondContact O-ND2 3.32Å
220Q78.4Confident80.5Confident154 Ų15471.2 Ų71.272%0.7237%0.367SS*.Hα-helixtrans-68.1-42.4-179.2-68.6-175.9-23.600110.1D218 N223 A224D218-Q220 VanDerWaalsContact C-N 3.29Å; D218-Q220 PolarHBondContact O-N 2.82Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.4Å; D218-Q220 PolarHBondContact OD1-N 3.19Å; Q220-N223 PolarHBondContact O-N 3.49Å; Q220-A224 WeakPolarHBondContact O-CB 3.41Å; Q220-A224 PolarHBondContact O-N 3.42Å
221K76.8Confident80.4Confident72 Ų7272.4 Ų72.431%0.31338%0.375SS..Hα-helixtrans-64.2-44.1176.3-69-175.1-174.8-166.40112.7D218 N223 A224 I225 I382D218-K221 HydrophobicContact CB-CB 4.08Å; D218-K221 HydrophobicContact CB-CD 4.05Å; D218-K221 HydrophobicContact CB-CG 4.04Å; D218-K221 PolarHBondContact O-N 3.42Å; D218-K221 PolarHBondContact OD1-N 3.43Å; D218-K221 WeakPolarHBondContact OD2-CE 3.43Å; D218-K221 WeakPolarHBondContact OD2-CG 3.09Å; K221-N223 VanDerWaalsContact C-N 3.31Å; K221-N223 PolarHBondContact O-N 3.14Å; K221-A224 PolarHBondContact O-N 2.82Å; K221-I225 VanDerWaalsContact O-CG1 3.31Å; K221-I225 WeakPolarHBondContact O-CG1 3.47Å; K221-I225 PolarHBondContact O-N 3.25Å; K221-I382 HydrophobicContact CB-CD1 4.23Å; K221-I382 HydrophobicContact CD-CD1 4.41Å
222V82Confident80.3Confident0 Ų069 Ų690%035%0.352CS..Hα-helixtrans-57.5-48.7175.5174.60000110L203 V217 D218 A224 I225 L226 V346 I349 Y378L203-V222 HydrophobicContact CD2-CB 4.12Å; L203-V222 HydrophobicContact CD2-CG1 3.84Å; L203-V222 HydrophobicContact CD2-CG2 4.02Å; V217-V222 HydrophobicContact CG1-CG2 4.15Å; D218-V222 WeakPolarHBondContact O-CG2 3.27Å; D218-V222 PolarHBondContact O-N 3.16Å; V222-A224 PolarHBondContact O-N 2.93Å; V222-I225 PolarHBondContact O-N 3.39Å; V222-L226 HydrophobicContact CG1-CD1 3.74Å; V222-L226 HydrophobicContact CG1-CG 4.36Å; V222-L226 WeakPolarHBondContact O-CB 3.43Å; V222-L226 WeakPolarHBondContact O-CG 3.17Å; V222-L226 PolarHBondContact O-N 2.86Å; V222-V346 HydrophobicContact CG1-CG1 4.21Å; V222-I349 HydrophobicContact CG1-CG2 4.35Å; V222-I349 HydrophobicContact CG2-CG2 4.05Å; V222-Y378 HydrophobicContact CG2-CD2 3.8Å; V222-Y378 HydrophobicContact CG2-CE2 3.36Å
223N80.4Confident80.6Confident73 Ų7365.3 Ų65.339%0.3933%0.334SS..Hα-helixtrans-63.9-41179.3-72.9-26.2000112.3L219 Q220 K221 I225 L226 S227L219-N223 WeakPolarHBondContact O-CB 3.16Å; L219-N223 VanDerWaalsContact O-CG 3.28Å; L219-N223 PolarHBondContact O-N 3.36Å; L219-N223 PolarHBondContact O-ND2 3.32Å; Q220-N223 PolarHBondContact O-N 3.49Å; K221-N223 VanDerWaalsContact C-N 3.31Å; K221-N223 PolarHBondContact O-N 3.14Å; N223-I225 VanDerWaalsContact C-N 3.35Å; N223-I225 PolarHBondContact O-N 2.91Å; N223-L226 PolarHBondContact O-N 2.85Å; N223-S227 WeakPolarHBondContact O-CB 3.4Å; N223-S227 PolarHBondContact O-N 3.27Å; N223-S227 PolarHBondContact O-OG 3.45Å; N223-S227 VanDerWaalsContact O-OG 3.1Å
224A75.2Confident80.8Confident49 Ų4966 Ų6641%0.40534%0.337SS..Hα-helixtrans-66-34.1179.100000113.2Q220 K221 V222 S227Q220-A224 WeakPolarHBondContact O-CB 3.41Å; Q220-A224 PolarHBondContact O-N 3.42Å; K221-A224 PolarHBondContact O-N 2.82Å; V222-A224 PolarHBondContact O-N 2.93Å; A224-S227 PolarHBondContact O-OG 2.79Å
225I79.3Confident80.7Confident21 Ų2166 Ų6611%0.10834%0.337CS..Hα-helixtrans-72.6-45.9174.7-66.6164.1000110K221 V222 N223 S227 Y343 V346 I382 F385K221-I225 VanDerWaalsContact O-CG1 3.31Å; K221-I225 WeakPolarHBondContact O-CG1 3.47Å; K221-I225 PolarHBondContact O-N 3.25Å; V222-I225 PolarHBondContact O-N 3.39Å; N223-I225 VanDerWaalsContact C-N 3.35Å; N223-I225 PolarHBondContact O-N 2.91Å; I225-S227 VanDerWaalsContact C-N 3.35Å; I225-S227 PolarHBondContact O-N 3.43Å; I225-Y343 HydrophobicContact CG2-CD1 3.99Å; I225-Y343 HydrophobicContact CG2-CE1 3.74Å; I225-V346 HydrophobicContact CB-CG1 4.27Å; I225-V346 HydrophobicContact CD1-CG1 4.45Å; I225-V346 HydrophobicContact CD1-CG2 4.27Å; I225-V346 HydrophobicContact CG2-CB 4.46Å; I225-V346 HydrophobicContact CG2-CG1 4.03Å; I225-I382 HydrophobicContact CD1-CD1 3.65Å; I225-F385 HydrophobicContact CD1-CB 4.15Å; I225-F385 HydrophobicContact CD1-CD2 3.64Å; I225-F385 HydrophobicContact CD1-CE2 4.27Å; I225-F385 HydrophobicContact CD1-CG 3.96Å; I225-F385 HydrophobicContact CG1-CD2 4.46Å; I225-F385 HydrophobicContact CG1-CG 4.43Å; I225-F385 HydrophobicContact CG2-CE2 4.26Å; I225-F385 HydrophobicContact CG2-CZ 4.28Å
226L80.2Confident80.9Confident12 Ų1258 Ų586%0.06330%0.302CS..Hα-helixtrans-75.7-19.6-177.6-64.4179.9000113.6V196 V222 N223 L232 V346 M347V196-L226 HydrophobicContact CG2-CB 4.49Å; V196-L226 HydrophobicContact CG2-CD1 4.41Å; V196-L226 HydrophobicContact CG2-CD2 4.32Å; V222-L226 HydrophobicContact CG1-CD1 3.74Å; V222-L226 HydrophobicContact CG1-CG 4.36Å; V222-L226 WeakPolarHBondContact O-CB 3.43Å; V222-L226 WeakPolarHBondContact O-CG 3.17Å; V222-L226 PolarHBondContact O-N 2.86Å; N223-L226 PolarHBondContact O-N 2.85Å; L226-L232 VanDerWaalsContact O-CD1 3.24Å; L226-L232 WeakPolarHBondContact O-CD1 3.48Å; L226-V346 HydrophobicContact CD2-CG1 4.16Å; L226-V346 HydrophobicContact CG-CG1 4.14Å; L226-M347 HydrophobicContact CD2-CG 3.91Å
227S79.2Confident81.4Confident81 Ų8156.1 Ų56.157%0.56629%0.285SS*.THydrogen-bonded Turntrans-77.3-19.9177.465.30000113.4N223 A224 I225 K229N223-S227 WeakPolarHBondContact O-CB 3.4Å; N223-S227 PolarHBondContact O-N 3.27Å; N223-S227 PolarHBondContact O-OG 3.45Å; N223-S227 VanDerWaalsContact O-OG 3.1Å; A224-S227 PolarHBondContact O-OG 2.79Å; I225-S227 VanDerWaalsContact C-N 3.35Å; I225-S227 PolarHBondContact O-N 3.43Å; S227-K229 PolarHBondContact O-N 3.19Å
228K78.3Confident81.5Confident112 Ų11255.9 Ų55.949%0.48729%0.285SS..  trans-79.979.8179.7-69.9-178.4-177-1790111.1E230 N231 L232K228-E230 PolarHBondContact O-N 3.32Å; K228-N231 HydrophobicContact CB-CB 4.12Å; K228-N231 PolarHBondContact O-N 2.89Å; K228-L232 PolarHBondContact O-N 3.22Å; K228-L232 VanDerWaalsContact O-N 3.11Å
229K79.4Confident82Confident98 Ų9853 Ų5343%0.42627%0.27SS..Hα-helixtrans-58.4-32-176.3-69.1-176.4179.5178.10112.9F189 E197 S227 L232 F233F189-K229 WeakPolarHBondContact CZ-O 3.34Å; E197-K229 IonicContact OE1-NZ 3.65Å; S227-K229 PolarHBondContact O-N 3.19Å; K229-L232 PolarHBondContact O-N 2.88Å; K229-F233 VanDerWaalsContact O-CB 3.27Å; K229-F233 WeakPolarHBondContact O-CB 3.45Å; K229-F233 PolarHBondContact O-N 3.45Å
230E78.2Confident82.5Confident143 Ų14355.2 Ų55.267%0.66828%0.275SS*.Hα-helixtrans-66.5-43.7178.9-57.671.9-154.100111.4K228 F233 E234K228-E230 PolarHBondContact O-N 3.32Å; E230-F233 WeakPolarHBondContact O-CB 3.37Å; E230-F233 PolarHBondContact O-N 3.37Å; E230-E234 PolarHBondContact O-N 2.83Å
231N78.8Confident82.8Confident53 Ų5356.6 Ų56.628%0.28328%0.278SS..Hα-helixtrans-67.2-41.4176.6-74.31.5000111.4K228 F233 E234 I235 Y343K228-N231 HydrophobicContact CB-CB 4.12Å; K228-N231 PolarHBondContact O-N 2.89Å; N231-F233 VanDerWaalsContact C-N 3.32Å; N231-E234 WeakPolarHBondContact O-CB 3.18Å; N231-E234 PolarHBondContact O-N 3.15Å; N231-I235 PolarHBondContact O-N 3Å; N231-Y343 HydrophobicContact CB-CE1 4.3Å; N231-Y343 VanDerWaalsContact CB-OH 3.32Å; N231-Y343 WeakPolarHBondContact CB-OH 3.39Å; N231-Y343 PolarHBondContact ND2-OH 2.98Å
232L82.1Confident83.3Confident1 Ų154.2 Ų54.21%0.00527%0.269CS..Hα-helixtrans-62.2-43.1174.8-67179.1000110.8F189 F192 L226 K228 K229 E234 I235 F236 Y343 M347F189-L232 HydrophobicContact CE2-CB 3.83Å; F189-L232 HydrophobicContact CZ-CB 4.44Å; F192-L232 HydrophobicContact CE1-CD1 4.29Å; L226-L232 VanDerWaalsContact O-CD1 3.24Å; L226-L232 WeakPolarHBondContact O-CD1 3.48Å; K228-L232 PolarHBondContact O-N 3.22Å; K228-L232 VanDerWaalsContact O-N 3.11Å; K229-L232 PolarHBondContact O-N 2.88Å; L232-E234 VanDerWaalsContact C-N 3.3Å; L232-E234 PolarHBondContact O-N 3.42Å; L232-I235 WeakPolarHBondContact O-CB 3.25Å; L232-I235 PolarHBondContact O-N 3Å; L232-I235 VanDerWaalsContact O-N 3.12Å; L232-F236 WeakPolarHBondContact O-CD2 3.21Å; L232-Y343 HydrophobicContact CD2-CD1 3.55Å; L232-Y343 HydrophobicContact CD2-CE1 3.96Å; L232-Y343 HydrophobicContact CD2-CG 4.45Å; L232-M347 HydrophobicContact CD2-CE 3.48Å; L232-M347 VanDerWaalsContact CD2-CE 3.48Å
233F86.8Confident83.5Confident78 Ų7854.3 Ų54.334%0.34227%0.269SS..Hα-helixtrans-60.5-39.9175.4-173.5-117.9000111.7E186 F189 K229 E230 N231 I235 F236 V237E186-F233 HydrophobicContact CG-CE2 4.23Å; E186-F233 HydrophobicContact CG-CZ 4.35Å; F189-F233 HydrophobicContact CB-CD2 4.5Å; F189-F233 AromaticContact CD1-CD2 3.47Å; F189-F233 HydrophobicContact CD1-CD2 3.47Å; F189-F233 VanDerWaalsContact CD1-CD2 3.47Å; F189-F233 HydrophobicContact CD1-CE2 4.11Å; F189-F233 HydrophobicContact CD1-CG 4.43Å; F189-F233 HydrophobicContact CD2-CD2 4.43Å; F189-F233 HydrophobicContact CE1-CB 3.96Å; F189-F233 AromaticContact CE1-CD2 3.63Å; F189-F233 HydrophobicContact CE1-CD2 3.63Å; F189-F233 HydrophobicContact CE1-CG 4.17Å; F189-F233 HydrophobicContact CE2-CB 4.14Å; F189-F233 AromaticContact CG-CD2 3.88Å; F189-F233 HydrophobicContact CG-CD2 3.88Å; F189-F233 HydrophobicContact CZ-CB 3.72Å; F189-F233 HydrophobicContact CZ-CD2 4.18Å; F189-F233 HydrophobicContact CZ-CG 4.42Å; K229-F233 VanDerWaalsContact O-CB 3.27Å; K229-F233 WeakPolarHBondContact O-CB 3.45Å; K229-F233 PolarHBondContact O-N 3.45Å; E230-F233 WeakPolarHBondContact O-CB 3.37Å; E230-F233 PolarHBondContact O-N 3.37Å; N231-F233 VanDerWaalsContact C-N 3.32Å; F233-I235 PolarHBondContact O-N 3.24Å; F233-F236 PolarHBondContact O-N 3.17Å; F233-V237 HydrophobicContact CD1-CG2 3.68Å; F233-V237 HydrophobicContact CD2-CG1 4.36Å; F233-V237 HydrophobicContact CD2-CG2 4.36Å; F233-V237 HydrophobicContact CE1-CG1 4.43Å; F233-V237 HydrophobicContact CE1-CG2 3.42Å; F233-V237 VanDerWaalsContact CE1-CG2 3.42Å; F233-V237 HydrophobicContact CE2-CG1 3.77Å; F233-V237 HydrophobicContact CE2-CG2 4.15Å; F233-V237 HydrophobicContact CG-CG2 4.15Å; F233-V237 HydrophobicContact CZ-CB 4.37Å; F233-V237 HydrophobicContact CZ-CG1 3.8Å; F233-V237 HydrophobicContact CZ-CG2 3.68Å; F233-V237 WeakPolarHBondContact O-CG2 3.26Å; F233-V237 PolarHBondContact O-N 2.93Å
234E84.6Confident84Confident70 Ų7053.1 Ų53.133%0.32727%0.266SS..Hα-helixtrans-58.4-30.8175.5-159.6-162.7155.200112.8E230 N231 L232 G238 K339E230-E234 PolarHBondContact O-N 2.83Å; N231-E234 WeakPolarHBondContact O-CB 3.18Å; N231-E234 PolarHBondContact O-N 3.15Å; L232-E234 VanDerWaalsContact C-N 3.3Å; L232-E234 PolarHBondContact O-N 3.42Å; E234-G238 WeakPolarHBondContact O-CA 3.45Å; E234-G238 PolarHBondContact O-N 3.25Å; E234-K339 IonicContact OE1-NZ 3.27Å; E234-K339 PolarHBondContact OE1-NZ 2.82Å; E234-K339 IonicContact OE2-NZ 2.99Å; E234-K339 PolarHBondContact OE2-NZ 2.87Å
235I85.1Confident84.9Confident4 Ų451.5 Ų51.52%0.02125%0.25CC..Hα-helixtrans-68.6-37.7174.9-58.2-50.2000111.7N231 L232 F233 K339 T340 Y343N231-I235 PolarHBondContact O-N 3Å; L232-I235 WeakPolarHBondContact O-CB 3.25Å; L232-I235 PolarHBondContact O-N 3Å; L232-I235 VanDerWaalsContact O-N 3.12Å; F233-I235 PolarHBondContact O-N 3.24Å; I235-K339 HydrophobicContact CD1-CD 4.25Å; I235-K339 HydrophobicContact CD1-CG 3.96Å; I235-T340 HydrophobicContact CG2-CG2 3.66Å; I235-Y343 HydrophobicContact CD1-CD2 3.38Å; I235-Y343 HydrophobicContact CD1-CE2 3.77Å; I235-Y343 HydrophobicContact CD1-CG 4.21Å; I235-Y343 HydrophobicContact CG1-CD2 3.45Å; I235-Y343 VanDerWaalsContact CG1-CD2 3.45Å; I235-Y343 HydrophobicContact CG1-CE2 3.99Å; I235-Y343 HydrophobicContact CG1-CG 3.78Å
236F86.2Confident85.8Confident7 Ų750.5 Ų50.53%0.03125%0.245CC..Hα-helixtrans-76.1-39.5178.2-76.6-93.3000112.6T188 F189 F192 L232 F233 H239T188-F236 HydrophobicContact CG2-CE1 4.03Å; F189-F236 HydrophobicContact CB-CB 4.38Å; F189-F236 HydrophobicContact CB-CD1 4.28Å; F189-F236 HydrophobicContact CB-CD2 4.29Å; F189-F236 HydrophobicContact CB-CG 4.06Å; F189-F236 AromaticContact CD2-CD2 3.54Å; F189-F236 HydrophobicContact CD2-CD2 3.54Å; F189-F236 AromaticContact CD2-CE2 3.82Å; F189-F236 HydrophobicContact CD2-CE2 3.82Å; F189-F236 HydrophobicContact CD2-CG 4.13Å; F189-F236 HydrophobicContact CE2-CD2 4.33Å; F189-F236 HydrophobicContact CG-CD2 4.33Å; F192-F236 HydrophobicContact CB-CZ 4.34Å; F192-F236 HydrophobicContact CD1-CE2 4.37Å; F192-F236 HydrophobicContact CG-CZ 4.28Å; L232-F236 WeakPolarHBondContact O-CD2 3.21Å; F233-F236 PolarHBondContact O-N 3.17Å; F236-H239 PolarHBondContact O-CE1 3.31Å; F236-H239 PolarHBondContact O-ND1 3.14Å
237V90Very high86.6Confident20 Ų2049.9 Ų49.912%0.12124%0.242CC..Hα-helixtrans-117.1-19.6-172.1-56.20000115.6A185 E186 F233 H239 R240A185-V237 HydrophobicContact CB-CG1 4.1Å; E186-V237 HydrophobicContact CG-CG1 4.47Å; F233-V237 HydrophobicContact CD1-CG2 3.68Å; F233-V237 HydrophobicContact CD2-CG1 4.36Å; F233-V237 HydrophobicContact CD2-CG2 4.36Å; F233-V237 HydrophobicContact CE1-CG1 4.43Å; F233-V237 HydrophobicContact CE1-CG2 3.42Å; F233-V237 VanDerWaalsContact CE1-CG2 3.42Å; F233-V237 HydrophobicContact CE2-CG1 3.77Å; F233-V237 HydrophobicContact CE2-CG2 4.15Å; F233-V237 HydrophobicContact CG-CG2 4.15Å; F233-V237 HydrophobicContact CZ-CB 4.37Å; F233-V237 HydrophobicContact CZ-CG1 3.8Å; F233-V237 HydrophobicContact CZ-CG2 3.68Å; F233-V237 WeakPolarHBondContact O-CG2 3.26Å; F233-V237 PolarHBondContact O-N 2.93Å; V237-H239 PolarHBondContact O-N 3.35Å; V237-R240 WeakPolarHBondContact O-CB 3.28Å; V237-R240 WeakPolarHBondContact O-CD 3.34Å; V237-R240 VanDerWaalsContact O-CG 3.28Å; V237-R240 WeakPolarHBondContact O-CG 3.32Å; V237-R240 PolarHBondContact O-N 2.8Å
238G87.5Confident87.4Confident11 Ų1146 Ų4611%0.11322%0.215CC..G310 helixtrans-66.6-21.9-17400000113.8E234 R240 K241E234-G238 WeakPolarHBondContact O-CA 3.45Å; E234-G238 PolarHBondContact O-N 3.25Å; G238-R240 PolarHBondContact O-N 3.35Å; G238-R240 VanDerWaalsContact O-N 3.14Å; G238-K241 PolarHBondContact O-N 3.33Å
239H91.7Very high88.3Confident0 Ų040.7 Ų40.70%019%0.192CC..G310 helixtrans-59-24.5175.474.2-88.8000113F236 V237 K241 I242 F243 D245 G283 S284 F285 F336F236-H239 PolarHBondContact O-CE1 3.31Å; F236-H239 PolarHBondContact O-ND1 3.14Å; V237-H239 PolarHBondContact O-N 3.35Å; H239-K241 PolarHBondContact O-N 2.99Å; H239-I242 CarbonylContact O-C 3.51Å; H239-I242 WeakPolarHBondContact O-CA 3.42Å; H239-I242 PolarHBondContact O-N 2.94Å; H239-F243 CarbonylContact C-O 3.54Å; H239-F243 PolarHBondContact CD2-O 2.82Å; H239-F243 PolarHBondContact O-N 3.12Å; H239-D245 IonicContact CE1-OD1 3.89Å; H239-D245 PolarHBondContact CE1-OD1 3.12Å; H239-D245 IonicContact NE2-OD1 2.8Å; H239-D245 PolarHBondContact NE2-OD1 2.99Å; H239-D245 VanDerWaalsContact NE2-OD1 3.08Å; H239-G283 PolarHBondContact NE2-O 2.89Å; H239-S284 WeakPolarHBondContact CB-OG 3.39Å; H239-S284 WeakPolarHBondContact ND1-CB 3.37Å; H239-F285 HydrophobicContact CB-CD1 4.06Å; H239-F285 HydrophobicContact CB-CE1 4.01Å; H239-F336 HydrophobicContact CB-CD1 4.17Å; H239-F336 HydrophobicContact CB-CE1 3.5Å; H239-F336 VanDerWaalsContact CB-CE1 3.5Å; H239-F336 HydrophobicContact CB-CE2 4.39Å; H239-F336 HydrophobicContact CB-CZ 3.63Å
240R92.1Very high88.9Confident101 Ų10136.1 Ų36.138%0.38117%0.172SC..G310 helixtrans-56.2-21.6179.3-70.5172.3179.6164.8-1.1114.4E186 V237 G238 I242 F243 D245E186-R240 IonicContact OE1-CZ 2.69Å; E186-R240 IonicContact OE1-NH1 3.67Å; E186-R240 PolarHBondContact OE1-NH1 3.12Å; E186-R240 IonicContact OE1-NH2 3.75Å; E186-R240 PolarHBondContact OE1-NH2 3.22Å; E186-R240 IonicContact OE2-NH2 2.62Å; V237-R240 WeakPolarHBondContact O-CB 3.28Å; V237-R240 WeakPolarHBondContact O-CD 3.34Å; V237-R240 VanDerWaalsContact O-CG 3.28Å; V237-R240 WeakPolarHBondContact O-CG 3.32Å; V237-R240 PolarHBondContact O-N 2.8Å; G238-R240 PolarHBondContact O-N 3.35Å; G238-R240 VanDerWaalsContact O-N 3.14Å; R240-I242 VanDerWaalsContact C-N 3.26Å; R240-F243 WeakPolarHBondContact CA-O 3.37Å; R240-D245 WeakPolarHBondContact CD-OD1 3.19Å; R240-D245 WeakPolarHBondContact CG-OD1 3.24Å; R240-D245 IonicContact CZ-OD1 2.91Å; R240-D245 IonicContact CZ-OD2 2.97Å; R240-D245 IonicContact NE-OD1 3.42Å; R240-D245 PolarHBondContact NE-OD1 3.15Å; R240-D245 IonicContact NE-OD2 2.77Å; R240-D245 PolarHBondContact NE-OD2 3.41Å; R240-D245 IonicContact NH2-OD1 3.8Å; R240-D245 IonicContact NH2-OD2 2.95Å; R240-D245 PolarHBondContact NH2-OD2 3.29Å
241K86.1Confident89.5Confident183 Ų18331.4 Ų31.480%0.79615%0.152SC*.G310 helixtrans-74.8-15.5173.6-61.7178.8-178.3176.70113.3G238 H239G238-K241 PolarHBondContact O-N 3.33Å; H239-K241 PolarHBondContact O-N 2.99Å
242I87.1Confident90.3Very high22 Ų2229 Ų2911%0.11314%0.138CC..THydrogen-bonded Turntrans-118.9-53.5-174.3-48.6174.4000109.9H239 R240 F285 V328 Q332 A333 F336H239-I242 CarbonylContact O-C 3.51Å; H239-I242 WeakPolarHBondContact O-CA 3.42Å; H239-I242 PolarHBondContact O-N 2.94Å; R240-I242 VanDerWaalsContact C-N 3.26Å; I242-F285 HydrophobicContact CB-CE1 4.44Å; I242-V328 HydrophobicContact CG2-CG1 3.53Å; I242-V328 HydrophobicContact CG2-CG2 4.43Å; I242-V328 WeakPolarHBondContact O-CG2 3.44Å; I242-Q332 HydrophobicContact CD1-CG 4.07Å; I242-Q332 HydrophobicContact CG1-CG 4.26Å; I242-Q332 HydrophobicContact CG2-CG 4.5Å; I242-A333 HydrophobicContact CG2-CB 4.31Å; I242-F336 HydrophobicContact CD1-CB 3.51Å; I242-F336 HydrophobicContact CD1-CD2 3.88Å; I242-F336 HydrophobicContact CD1-CG 3.79Å
243F86.3Confident90.8Very high1 Ų130 Ų300%0.00414%0.142CC..SBendtrans-126143.2178.1-82.8-104000110.1H239 R240 F285 F314 M317 L325 V328 A333H239-F243 CarbonylContact C-O 3.54Å; H239-F243 PolarHBondContact CD2-O 2.82Å; H239-F243 PolarHBondContact O-N 3.12Å; R240-F243 WeakPolarHBondContact CA-O 3.37Å; F243-F285 HydrophobicContact CB-CB 4.34Å; F243-F285 HydrophobicContact CB-CD1 3.58Å; F243-F285 HydrophobicContact CB-CE1 4.2Å; F243-F285 HydrophobicContact CB-CG 4.2Å; F243-F285 HydrophobicContact CD1-CB 4.25Å; F243-F285 HydrophobicContact CD1-CG 4.39Å; F243-F285 AromaticContact CD2-CD1 3.46Å; F243-F285 HydrophobicContact CD2-CD1 3.46Å; F243-F285 VanDerWaalsContact CD2-CD1 3.46Å; F243-F285 HydrophobicContact CD2-CD2 4.21Å; F243-F285 AromaticContact CD2-CE1 3.53Å; F243-F285 HydrophobicContact CD2-CE1 3.53Å; F243-F285 HydrophobicContact CD2-CE2 4.3Å; F243-F285 AromaticContact CD2-CG 3.8Å; F243-F285 HydrophobicContact CD2-CG 3.8Å; F243-F285 AromaticContact CD2-CZ 3.97Å; F243-F285 HydrophobicContact CD2-CZ 3.97Å; F243-F285 HydrophobicContact CE2-CD1 4.26Å; F243-F285 HydrophobicContact CE2-CD2 4.21Å; F243-F285 HydrophobicContact CE2-CE1 4.23Å; F243-F285 HydrophobicContact CE2-CE2 4.22Å; F243-F285 HydrophobicContact CE2-CG 4.22Å; F243-F285 HydrophobicContact CE2-CZ 4.22Å; F243-F285 HydrophobicContact CG-CB 4.14Å; F243-F285 AromaticContact CG-CD1 3.63Å; F243-F285 HydrophobicContact CG-CD1 3.63Å; F243-F285 HydrophobicContact CG-CE1 4.16Å; F243-F285 AromaticContact CG-CG 3.89Å; F243-F285 HydrophobicContact CG-CG 3.89Å; F243-F314 HydrophobicContact CE2-CE2 4.22Å; F243-F314 HydrophobicContact CZ-CD2 4.23Å; F243-F314 HydrophobicContact CZ-CE2 4.02Å; F243-M317 HydrophobicContact CD1-CE 4.46Å; F243-M317 HydrophobicContact CE1-CE 3.97Å; F243-L325 HydrophobicContact CE1-CD1 3.76Å; F243-L325 HydrophobicContact CE1-CD2 3.68Å; F243-L325 HydrophobicContact CE1-CG 3.62Å; F243-L325 HydrophobicContact CZ-CD1 4.34Å; F243-L325 HydrophobicContact CZ-CD2 3.43Å; F243-L325 VanDerWaalsContact CZ-CD2 3.43Å; F243-L325 HydrophobicContact CZ-CG 3.69Å; F243-V328 HydrophobicContact CD2-CG1 4.41Å; F243-V328 HydrophobicContact CE2-CG1 3.79Å; F243-V328 HydrophobicContact CZ-CG1 4.45Å; F243-A333 HydrophobicContact CE2-CB 4.01Å
244P90.6Very high90.9Very high49 Ų4926.3 Ų26.332%0.31813%0.126SC..  trans-61.6158.6164.8-16.629.9000111.9L172 V246 Y324L172-P244 HydrophobicContact CD2-CB 3.94Å; L172-P244 HydrophobicContact CD2-CG 4.14Å; P244-V246 PolarHBondContact O-N 3.16Å; P244-Y324 HydrophobicContact CG-CD1 3.98Å
245D94.5Very high91.1Very high14 Ų1426.6 Ų26.68%0.07513%0.125CC..  trans-53.1127172.4-68.412.7000110.9K179 H239 R240 Q282K179-D245 WeakPolarHBondContact CE-O 3.41Å; K179-D245 PolarHBondContact NZ-O 2.9Å; H239-D245 IonicContact CE1-OD1 3.89Å; H239-D245 PolarHBondContact CE1-OD1 3.12Å; H239-D245 IonicContact NE2-OD1 2.8Å; H239-D245 PolarHBondContact NE2-OD1 2.99Å; H239-D245 VanDerWaalsContact NE2-OD1 3.08Å; R240-D245 WeakPolarHBondContact CD-OD1 3.19Å; R240-D245 WeakPolarHBondContact CG-OD1 3.24Å; R240-D245 IonicContact CZ-OD1 2.91Å; R240-D245 IonicContact CZ-OD2 2.97Å; R240-D245 IonicContact NE-OD1 3.42Å; R240-D245 PolarHBondContact NE-OD1 3.15Å; R240-D245 IonicContact NE-OD2 2.77Å; R240-D245 PolarHBondContact NE-OD2 3.41Å; R240-D245 IonicContact NH2-OD1 3.8Å; R240-D245 IonicContact NH2-OD2 2.95Å; R240-D245 PolarHBondContact NH2-OD2 3.29Å; D245-Q282 HydrophobicContact CB-CB 4.37Å
246V96.3Very high91.5Very high0 Ų026.6 Ų26.60%013%0.125CC..EExtended strand (participates in β ladder)trans-108.5166.7177-62.40000110.8Q168 S171 L172 P244 V248 G283 F285Q168-V246 HydrophobicContact CB-CB 4.01Å; Q168-V246 HydrophobicContact CB-CG1 4.1Å; Q168-V246 HydrophobicContact CB-CG2 4.3Å; Q168-V246 HydrophobicContact CG-CB 3.96Å; Q168-V246 HydrophobicContact CG-CG2 3.8Å; S171-V246 WeakPolarHBondContact OG-CA 3.42Å; S171-V246 WeakPolarHBondContact OG-CB 3.45Å; L172-V246 HydrophobicContact CD1-CG1 4.15Å; L172-V246 HydrophobicContact CD2-CG1 3.9Å; L172-V246 HydrophobicContact CG-CG1 3.93Å; P244-V246 PolarHBondContact O-N 3.16Å; V246-V248 HydrophobicContact CG2-CG2 4.01Å; V246-V248 PolarHBondContact O-N 3.17Å; V246-G283 WeakPolarHBondContact CG2-O 3.43Å; V246-G283 PolarHBondContact N-O 3.46Å; V246-G283 VanDerWaalsContact N-O 3.13Å; V246-G283 PolarHBondContact O-N 3.19Å; V246-G283 VanDerWaalsContact O-N 3.11Å; V246-F285 HydrophobicContact CG2-CB 4.38Å
247F97.3Very high92Very high0 Ų026.2 Ų26.20%012%0.123CC..EExtended strand (participates in β ladder)trans-77.7110173.3-162-65.2000108.9A109 I112 L113 L167 W170 S171 W178 I182 W277 C280A109-F247 HydrophobicContact CB-CE1 4.49Å; A109-F247 HydrophobicContact CB-CZ 4.01Å; I112-F247 HydrophobicContact CD1-CE2 4.46Å; L113-F247 HydrophobicContact CD1-CE1 4.43Å; L167-F247 HydrophobicContact CD1-CD1 4.41Å; W170-F247 HydrophobicContact CH2-CD2 4Å; W170-F247 HydrophobicContact CH2-CE2 4.38Å; W170-F247 HydrophobicContact CZ3-CB 3.98Å; W170-F247 AromaticContact CZ3-CD2 3.63Å; W170-F247 HydrophobicContact CZ3-CD2 3.63Å; W170-F247 HydrophobicContact CZ3-CE2 4.32Å; W170-F247 AromaticContact CZ3-CG 3.92Å; W170-F247 HydrophobicContact CZ3-CG 3.92Å; S171-F247 VanDerWaalsContact CB-CB 3.43Å; S171-F247 PolarHBondContact OG-N 3.35Å; W178-F247 HydrophobicContact CB-CD2 4.28Å; W178-F247 HydrophobicContact CB-CE2 4.33Å; W178-F247 AromaticContact CD2-CD2 3.78Å; W178-F247 HydrophobicContact CD2-CD2 3.78Å; W178-F247 HydrophobicContact CE3-CB 4.22Å; W178-F247 AromaticContact CE3-CD2 3.42Å; W178-F247 HydrophobicContact CE3-CD2 3.42Å; W178-F247 VanDerWaalsContact CE3-CD2 3.42Å; W178-F247 HydrophobicContact CE3-CE2 4.16Å; W178-F247 HydrophobicContact CE3-CG 4.17Å; W178-F247 HydrophobicContact CG-CD2 4.18Å; W178-F247 HydrophobicContact CH2-CB 4.15Å; W178-F247 HydrophobicContact CZ2-CB 4.49Å; W178-F247 HydrophobicContact CZ3-CB 3.99Å; W178-F247 AromaticContact CZ3-CD2 3.99Å; W178-F247 HydrophobicContact CZ3-CD2 3.99Å; W178-F247 HydrophobicContact CZ3-CG 4.29Å; I182-F247 HydrophobicContact CD1-CD1 4.43Å; I182-F247 HydrophobicContact CD1-CD2 3.7Å; I182-F247 HydrophobicContact CD1-CE1 4.32Å; I182-F247 HydrophobicContact CD1-CE2 3.57Å; I182-F247 HydrophobicContact CD1-CG 4.13Å; I182-F247 HydrophobicContact CD1-CZ 3.89Å; I182-F247 HydrophobicContact CG2-CE2 4.07Å; I182-F247 HydrophobicContact CG2-CZ 4.1Å; F247-W277 HydrophobicContact CD1-CZ3 4.19Å; F247-W277 AromaticContact CE1-CE3 3.89Å; F247-W277 HydrophobicContact CE1-CE3 3.89Å; F247-W277 AromaticContact CE1-CZ3 3.88Å; F247-W277 HydrophobicContact CE1-CZ3 3.88Å; F247-C280 HydrophobicContact CE1-CB 3.68Å; F247-C280 HydrophobicContact CZ-CB 4.17Å
248V97Very high92.3Very high0 Ų026.7 Ų26.70%012%0.124CC..EExtended strand (participates in β ladder)trans-98.1132.7-178.5175.60000109V246 G250 C280 H281 G283 S284 E287 D288V246-V248 HydrophobicContact CG2-CG2 4.01Å; V246-V248 PolarHBondContact O-N 3.17Å; V248-G250 VanDerWaalsContact C-N 3.35Å; V248-C280 WeakPolarHBondContact O-CA 3.48Å; V248-C280 WeakPolarHBondContact O-CB 3.27Å; V248-H281 PolarHBondContact N-O 3.46Å; V248-H281 PolarHBondContact O-N 3.42Å; V248-G283 VanDerWaalsContact CG2-C 3.41Å; V248-S284 WeakPolarHBondContact CG2-O 3.43Å; V248-E287 HydrophobicContact CG1-CB 3.84Å; V248-D288 WeakPolarHBondContact CA-OD2 3.48Å; V248-D288 WeakPolarHBondContact CG1-OD1 3.47Å
249H96.9Very high92.7Very high0 Ų026.2 Ų26.20%012%0.119CC..  trans-64.2-42.6174.5178.3-81.5000110.9D251 F252 I275 D276 W277 L279 C280 D288H249-D251 VanDerWaalsContact C-N 3.27Å; H249-D251 PolarHBondContact CE1-O 3.1Å; H249-D251 VanDerWaalsContact CE1-O 3.22Å; H249-D251 PolarHBondContact ND1-N 2.62Å; H249-D251 PolarHBondContact ND1-O 2.94Å; H249-D251 PolarHBondContact O-N 3.12Å; H249-F252 HydrophobicContact CB-CB 4.29Å; H249-F252 HydrophobicContact CB-CD2 4.41Å; H249-F252 PolarHBondContact ND1-N 3.26Å; H249-I275 PolarHBondContact CE1-O 3.15Å; H249-I275 PolarHBondContact NE2-O 3.24Å; H249-D276 PolarHBondContact CE1-O 3.05Å; H249-D276 VanDerWaalsContact CE1-O 3.27Å; H249-W277 HydrophobicContact CB-CE3 4.28Å; H249-W277 HydrophobicContact CB-CH2 4.43Å; H249-W277 HydrophobicContact CB-CZ3 3.95Å; H249-W277 AromaticContact CD2-CD2 3.49Å; H249-W277 VanDerWaalsContact CD2-CD2 3.49Å; H249-W277 AromaticContact CD2-CE2 3.56Å; H249-W277 AromaticContact CD2-CE3 3.5Å; H249-W277 VanDerWaalsContact CD2-CE3 3.5Å; H249-W277 AromaticContact CD2-CH2 3.72Å; H249-W277 AromaticContact CD2-CZ2 3.68Å; H249-W277 AromaticContact CD2-CZ3 3.63Å; H249-W277 AromaticContact NE2-CD2 3.96Å; H249-W277 AromaticContact NE2-CE2 4Å; H249-L279 CarbonylContact O-C 3.57Å; H249-C280 WeakPolarHBondContact O-CA 3.47Å; H249-C280 PolarHBondContact O-N 3.41Å; H249-D288 WeakPolarHBondContact CB-OD1 3.32Å; H249-D288 PolarHBondContact N-OD1 3.04Å; H249-D288 VanDerWaalsContact N-OD1 3.13Å; H249-D288 PolarHBondContact N-OD2 3.41Å
250G91.9Very high93Very high2 Ų227 Ų272%0.02113%0.125CC..SBendtrans89.7-22.7169.600000114.6V248 D288 R291V248-G250 VanDerWaalsContact C-N 3.35Å; G250-D288 PolarHBondContact N-OD1 2.7Å; G250-R291 WeakPolarHBondContact O-CD 3.46Å; G250-R291 PolarHBondContact O-NE 2.79Å; G250-R291 PolarHBondContact O-NH1 3.48Å
251D91.2Very high93.1Very high44 Ų4424.7 Ų24.724%0.23512%0.12CC..  trans-134.352.3170.8-162.429000112.2H249 W253 N256 L279H249-D251 VanDerWaalsContact C-N 3.27Å; H249-D251 PolarHBondContact CE1-O 3.1Å; H249-D251 VanDerWaalsContact CE1-O 3.22Å; H249-D251 PolarHBondContact ND1-N 2.62Å; H249-D251 PolarHBondContact ND1-O 2.94Å; H249-D251 PolarHBondContact O-N 3.12Å; D251-W253 VanDerWaalsContact O-CD1 3.31Å; D251-W253 PolarHBondContact O-N 2.71Å; D251-W253 VanDerWaalsContact O-N 3.12Å; D251-W253 VanDerWaalsContact OD1-CD1 3.31Å; D251-W253 PolarHBondContact OD2-NE1 3.47Å; D251-W253 VanDerWaalsContact OD2-NE1 3.14Å; D251-N256 PolarHBondContact O-ND2 3.49Å; D251-N256 PolarHBondContact OD2-ND2 3.12Å; D251-L279 HydrophobicContact CB-CB 4.39Å; D251-L279 HydrophobicContact CB-CD1 4.07Å; D251-L279 HydrophobicContact CB-CG 4.39Å
252F94.8Very high93.3Very high1 Ų119 Ų190%0.00410%0.098CC..  trans-83.189.7-173.3-164-113.2000112L160 F163 V164 H249 I257 V274 D288 R291 L292L160-F252 HydrophobicContact CB-CE1 4.24Å; L160-F252 HydrophobicContact CB-CZ 4.32Å; L160-F252 HydrophobicContact CD2-CE1 4.43Å; L160-F252 HydrophobicContact CD2-CZ 3.84Å; F163-F252 AromaticContact CD1-CE2 3.92Å; F163-F252 HydrophobicContact CD1-CE2 3.92Å; F163-F252 AromaticContact CD1-CZ 3.91Å; F163-F252 HydrophobicContact CD1-CZ 3.91Å; F163-F252 AromaticContact CE1-CE2 3.92Å; F163-F252 HydrophobicContact CE1-CE2 3.92Å; F163-F252 HydrophobicContact CE1-CZ 4.37Å; V164-F252 HydrophobicContact CG2-CD1 3.96Å; V164-F252 HydrophobicContact CG2-CE1 3.48Å; V164-F252 VanDerWaalsContact CG2-CE1 3.48Å; V164-F252 HydrophobicContact CG2-CZ 3.83Å; H249-F252 HydrophobicContact CB-CB 4.29Å; H249-F252 HydrophobicContact CB-CD2 4.41Å; H249-F252 PolarHBondContact ND1-N 3.26Å; F252-I257 HydrophobicContact CE1-CD1 4.25Å; F252-I257 HydrophobicContact CE2-CD1 4.21Å; F252-I257 HydrophobicContact CE2-CG1 4.13Å; F252-I257 HydrophobicContact CZ-CD1 4.07Å; F252-I257 HydrophobicContact CZ-CG1 4.39Å; F252-V274 HydrophobicContact CD2-CG1 4.11Å; F252-V274 HydrophobicContact CE2-CG1 3.88Å; F252-V274 HydrophobicContact CE2-CG2 4.03Å; F252-D288 HydrophobicContact CB-CB 3.91Å; F252-D288 HydrophobicContact CD1-CB 4.26Å; F252-D288 HydrophobicContact CG-CB 4.22Å; F252-R291 CarbonylContact O-C 3.51Å; F252-L292 HydrophobicContact CD1-CB 4.12Å; F252-L292 HydrophobicContact CD1-CD1 4.31Å; F252-L292 HydrophobicContact CE1-CB 4.49Å; F252-L292 HydrophobicContact CE1-CD1 4.21Å; F252-L292 HydrophobicContact CE1-CD2 4.27Å; F252-L292 PolarHBondContact O-N 2.96Å
253W92Very high93.2Very high23 Ų2327.3 Ų27.39%0.08714%0.137CC..SBendtrans-146173.2-178.876.9-72.3000113.3D251 Y255 N256 I257 T296 F359D251-W253 VanDerWaalsContact O-CD1 3.31Å; D251-W253 PolarHBondContact O-N 2.71Å; D251-W253 VanDerWaalsContact O-N 3.12Å; D251-W253 VanDerWaalsContact OD1-CD1 3.31Å; D251-W253 PolarHBondContact OD2-NE1 3.47Å; D251-W253 VanDerWaalsContact OD2-NE1 3.14Å; W253-Y255 VanDerWaalsContact C-N 3.32Å; W253-Y255 HydrophobicContact CE3-CD2 4.48Å; W253-Y255 HydrophobicContact CE3-CG 4.45Å; W253-Y255 AromaticContact CH2-CD2 3.11Å; W253-Y255 HydrophobicContact CH2-CD2 3.11Å; W253-Y255 AromaticContact CH2-CE2 3.85Å; W253-Y255 HydrophobicContact CH2-CE2 3.85Å; W253-Y255 AromaticContact CH2-CG 3.73Å; W253-Y255 HydrophobicContact CH2-CG 3.73Å; W253-Y255 AromaticContact CZ2-CD2 3.84Å; W253-Y255 HydrophobicContact CZ2-CD2 3.84Å; W253-Y255 HydrophobicContact CZ2-CG 4.18Å; W253-Y255 AromaticContact CZ3-CD2 3.49Å; W253-Y255 HydrophobicContact CZ3-CD2 3.49Å; W253-Y255 VanDerWaalsContact CZ3-CD2 3.49Å; W253-Y255 AromaticContact CZ3-CE2 3.99Å; W253-Y255 HydrophobicContact CZ3-CE2 3.99Å; W253-Y255 AromaticContact CZ3-CG 3.85Å; W253-Y255 HydrophobicContact CZ3-CG 3.85Å; W253-Y255 PolarHBondContact O-N 3.28Å; W253-Y255 VanDerWaalsContact O-N 3.09Å; W253-N256 PolarHBondContact NE1-ND2 3.13Å; W253-N256 PolarHBondContact O-N 3.19Å; W253-I257 WeakPolarHBondContact O-CD1 3.31Å; W253-I257 WeakPolarHBondContact O-CG1 3.42Å; W253-T296 VanDerWaalsContact CA-OG1 3.32Å; W253-T296 WeakPolarHBondContact CA-OG1 3.17Å; W253-F359 AromaticContact CH2-CD1 3.97Å; W253-F359 HydrophobicContact CH2-CD1 3.97Å; W253-F359 HydrophobicContact CH2-CD2 4.43Å; W253-F359 AromaticContact CH2-CE1 3.74Å; W253-F359 HydrophobicContact CH2-CE1 3.74Å; W253-F359 HydrophobicContact CH2-CE2 4.23Å; W253-F359 HydrophobicContact CH2-CG 4.31Å; W253-F359 AromaticContact CH2-CZ 3.88Å; W253-F359 HydrophobicContact CH2-CZ 3.88Å; W253-F359 AromaticContact CZ2-CE1 3.94Å; W253-F359 HydrophobicContact CZ2-CE1 3.94Å; W253-F359 AromaticContact CZ2-CZ 3.96Å; W253-F359 HydrophobicContact CZ2-CZ 3.96Å
254A90.1Very high93.2Very high1 Ų134.2 Ų34.21%0.00817%0.174CC..G310 helixtrans-42.3-48.7-170.900000114.9C145 P146 L148 N256 I257 T296C145-A254 WeakPolarHBondContact CB-O 3.12Å; P146-A254 WeakPolarHBondContact CD-O 3.07Å; P146-A254 HydrophobicContact CG-CB 4.16Å; L148-A254 HydrophobicContact CD1-CB 4.1Å; A254-N256 PolarHBondContact O-N 3.49Å; A254-I257 PolarHBondContact O-N 2.99Å; A254-T296 HydrophobicContact CB-CG2 3.81Å; A254-T296 PolarHBondContact N-OG1 3.38Å
255Y88.7Confident92.8Very high75 Ų7534.1 Ų34.129%0.29418%0.182SC..G310 helixtrans-79.7-2.6-174.9-66.4-20.4000115.2C145 W253 F359C145-Y255 HydrophobicContact CB-CD1 4.07Å; W253-Y255 VanDerWaalsContact C-N 3.32Å; W253-Y255 HydrophobicContact CE3-CD2 4.48Å; W253-Y255 HydrophobicContact CE3-CG 4.45Å; W253-Y255 AromaticContact CH2-CD2 3.11Å; W253-Y255 HydrophobicContact CH2-CD2 3.11Å; W253-Y255 AromaticContact CH2-CE2 3.85Å; W253-Y255 HydrophobicContact CH2-CE2 3.85Å; W253-Y255 AromaticContact CH2-CG 3.73Å; W253-Y255 HydrophobicContact CH2-CG 3.73Å; W253-Y255 AromaticContact CZ2-CD2 3.84Å; W253-Y255 HydrophobicContact CZ2-CD2 3.84Å; W253-Y255 HydrophobicContact CZ2-CG 4.18Å; W253-Y255 AromaticContact CZ3-CD2 3.49Å; W253-Y255 HydrophobicContact CZ3-CD2 3.49Å; W253-Y255 VanDerWaalsContact CZ3-CD2 3.49Å; W253-Y255 AromaticContact CZ3-CE2 3.99Å; W253-Y255 HydrophobicContact CZ3-CE2 3.99Å; W253-Y255 AromaticContact CZ3-CG 3.85Å; W253-Y255 HydrophobicContact CZ3-CG 3.85Å; W253-Y255 PolarHBondContact O-N 3.28Å; W253-Y255 VanDerWaalsContact O-N 3.09Å; Y255-F359 HydrophobicContact CD2-CD1 4.37Å; Y255-F359 HydrophobicContact CE2-CD1 4.35Å
256N93.1Very high92.4Very high4 Ų438.5 Ų38.52%0.02120%0.2CC..G310 helixtrans-103.65.1172.5-68.6-14000112.4D251 W253 A254 V274 I275D251-N256 PolarHBondContact O-ND2 3.49Å; D251-N256 PolarHBondContact OD2-ND2 3.12Å; W253-N256 PolarHBondContact NE1-ND2 3.13Å; W253-N256 PolarHBondContact O-N 3.19Å; A254-N256 PolarHBondContact O-N 3.49Å; N256-V274 WeakPolarHBondContact O-CA 3.25Å; N256-I275 WeakPolarHBondContact CB-O 3.44Å; N256-I275 PolarHBondContact O-N 2.84Å
257I96.2Very high92.3Very high0 Ų039.9 Ų39.90%021%0.208CC..EExtended strand (participates in β ladder)trans-122.2119.2-173.8-63.2165.5000109.2C145 P146 L160 F252 W253 A254 F259 L271 L292C145-I257 VanDerWaalsContact CA-O 3.26Å; C145-I257 WeakPolarHBondContact CA-O 3.5Å; P146-I257 WeakPolarHBondContact CD-O 3.35Å; L160-I257 HydrophobicContact CD1-CD1 3.97Å; L160-I257 HydrophobicContact CD1-CG2 4.47Å; L160-I257 HydrophobicContact CD2-CD1 4Å; L160-I257 HydrophobicContact CD2-CG1 4.34Å; L160-I257 HydrophobicContact CD2-CG2 3.64Å; F252-I257 HydrophobicContact CE1-CD1 4.25Å; F252-I257 HydrophobicContact CE2-CD1 4.21Å; F252-I257 HydrophobicContact CE2-CG1 4.13Å; F252-I257 HydrophobicContact CZ-CD1 4.07Å; F252-I257 HydrophobicContact CZ-CG1 4.39Å; W253-I257 WeakPolarHBondContact O-CD1 3.31Å; W253-I257 WeakPolarHBondContact O-CG1 3.42Å; A254-I257 PolarHBondContact O-N 2.99Å; I257-F259 HydrophobicContact CG2-CD2 4.02Å; I257-F259 HydrophobicContact CG2-CE2 3.48Å; I257-F259 VanDerWaalsContact CG2-CE2 3.48Å; I257-F259 HydrophobicContact CG2-CZ 3.89Å; I257-L271 HydrophobicContact CG2-CD1 3.71Å; I257-L292 HydrophobicContact CD1-CD1 3.87Å
258F96.5Very high92.1Very high30 Ų3041.9 Ų41.913%0.13222%0.221CC..EExtended strand (participates in β ladder)trans-106.8124.1177-77.7-102.4000111.1V139 S143 C145 S272 A273 I275V139-F258 HydrophobicContact CG2-CD1 3.9Å; V139-F258 HydrophobicContact CG2-CD2 4.42Å; V139-F258 HydrophobicContact CG2-CE1 4.2Å; V139-F258 HydrophobicContact CG2-CG 4.01Å; S143-F258 WeakPolarHBondContact OG-CD1 3.47Å; C145-F258 WeakPolarHBondContact SG-CE2 3.36Å; C145-F258 VanDerWaalsContact SG-CZ 3.5Å; F258-S272 WeakPolarHBondContact O-CA 2.98Å; F258-S272 WeakPolarHBondContact O-CB 3.12Å; F258-S272 PolarHBondContact O-N 2.89Å; F258-A273 HydrophobicContact CB-CB 4.26Å; F258-A273 PolarHBondContact N-O 3.24Å; F258-A273 PolarHBondContact O-N 2.89Å; F258-I275 HydrophobicContact CD2-CD1 4.35Å; F258-I275 HydrophobicContact CD2-CG1 4.33Å; F258-I275 HydrophobicContact CD2-CG2 4.39Å; F258-I275 HydrophobicContact CE2-CD1 3.52Å; F258-I275 HydrophobicContact CE2-CG1 3.94Å; F258-I275 HydrophobicContact CE2-CG2 4.49Å; F258-I275 HydrophobicContact CZ-CD1 4.32Å
259F97.3Very high91.9Very high0 Ų045.9 Ų45.90%024%0.242CC..EExtended strand (participates in β ladder)trans-103.9146.5170.3-71-78.5000110.7S143 A144 P146 V152 Q156 L160 I257 T267 T268 K270 L271S143-F259 CarbonylContact C-O 3.29Å; S143-F259 WeakPolarHBondContact CA-O 3.43Å; S143-F259 WeakPolarHBondContact CB-O 3.38Å; A144-F259 PolarHBondContact N-O 2.96Å; A144-F259 PolarHBondContact O-N 3.09Å; P146-F259 HydrophobicContact CB-CD2 4.3Å; P146-F259 HydrophobicContact CB-CE2 4.38Å; P146-F259 HydrophobicContact CG-CD2 4.23Å; P146-F259 HydrophobicContact CG-CE2 4.1Å; V152-F259 HydrophobicContact CG1-CE2 4.39Å; Q156-F259 HydrophobicContact CB-CE1 4.09Å; Q156-F259 HydrophobicContact CB-CE2 4.27Å; Q156-F259 HydrophobicContact CB-CZ 3.7Å; Q156-F259 HydrophobicContact CG-CD1 4.15Å; Q156-F259 HydrophobicContact CG-CD2 4.47Å; Q156-F259 HydrophobicContact CG-CE1 3.74Å; Q156-F259 HydrophobicContact CG-CE2 4.07Å; Q156-F259 HydrophobicContact CG-CZ 3.69Å; L160-F259 HydrophobicContact CD1-CE2 4.42Å; L160-F259 HydrophobicContact CD1-CZ 3.95Å; L160-F259 HydrophobicContact CD2-CZ 3.93Å; L160-F259 HydrophobicContact CG-CZ 3.91Å; I257-F259 HydrophobicContact CG2-CD2 4.02Å; I257-F259 HydrophobicContact CG2-CE2 3.48Å; I257-F259 VanDerWaalsContact CG2-CE2 3.48Å; I257-F259 HydrophobicContact CG2-CZ 3.89Å; F259-T267 HydrophobicContact CB-CG2 4.17Å; F259-T268 WeakPolarHBondContact CB-O 3.22Å; F259-T268 WeakPolarHBondContact CD1-O 3.1Å; F259-T268 WeakPolarHBondContact CG-O 3.07Å; F259-K270 CarbonylContact C-O 3.48Å; F259-K270 WeakPolarHBondContact CA-O 3.46Å; F259-L271 HydrophobicContact CD1-CB 4.44Å; F259-L271 HydrophobicContact CE1-CB 4.26Å; F259-L271 HydrophobicContact CE1-CD1 4.25Å
260A96Very high91.8Very high16 Ų1653 Ų5313%0.13227%0.273CS..EExtended strand (participates in β ladder)trans-61.3142.2176.300000110.6F142 T268 K270 S272F142-A260 WeakPolarHBondContact O-CA 3.5Å; A260-T268 WeakPolarHBondContact O-CB 3.31Å; A260-T268 WeakPolarHBondContact O-CG2 3.09Å; A260-T268 PolarHBondContact O-N 3.2Å; A260-T268 PolarHBondContact O-OG1 3.01Å; A260-K270 HydrophobicContact CB-CB 4.14Å; A260-K270 HydrophobicContact CB-CD 4.22Å; A260-K270 HydrophobicContact CB-CG 4.41Å; A260-K270 PolarHBondContact N-O 3.37Å; A260-S272 WeakPolarHBondContact CA-OG 3.35Å; A260-S272 WeakPolarHBondContact CB-OG 3.46Å; A260-S272 PolarHBondContact N-OG 2.9Å; A260-S272 VanDerWaalsContact N-OG 3.09Å
261L94.4Very high92Very high54 Ų5453.2 Ų53.228%0.28327%0.274SS..EExtended strand (participates in β ladder)trans-84.4142.4177-66.1178.7000111.3F142 A144 G265 K266 T267F142-L261 PolarHBondContact O-N 2.9Å; A144-L261 HydrophobicContact CB-CD1 4.35Å; A144-L261 HydrophobicContact CB-CD2 3.62Å; A144-L261 HydrophobicContact CB-CG 4.24Å; L261-G265 WeakPolarHBondContact CD2-O 3.41Å; L261-K266 WeakPolarHBondContact CA-O 3.47Å; L261-T267 HydrophobicContact CD2-CG2 4.28Å
262D90.8Very high92.2Very high62 Ų6253 Ų5333%0.33228%0.276SS..  trans-80.9-176.6166.273.66.4000111.6N264 G265 K266 T268D262-N264 PolarHBondContact O-N 3.34Å; D262-N264 VanDerWaalsContact O-N 3.13Å; D262-N264 WeakPolarHBondContact OD1-CA 3.35Å; D262-N264 WeakPolarHBondContact OD1-CB 3.47Å; D262-N264 PolarHBondContact OD1-N 3.35Å; D262-G265 PolarHBondContact O-N 2.65Å; D262-G265 VanDerWaalsContact O-N 3.08Å; D262-G265 PolarHBondContact OD1-N 3.25Å; D262-G265 VanDerWaalsContact OD1-N 3.08Å; D262-K266 PolarHBondContact N-O 2.68Å; D262-K266 PolarHBondContact OD1-N 2.87Å; D262-T268 HydrophobicContact CB-CG2 3.84Å
263Q85.7Confident92.2Very high197 Ų19753 Ų5392%0.92128%0.276SS*.THydrogen-bonded Turntrans-62.2-19.5179.8-46.4-179.129.300113.3
264N85.3Confident92.4Very high146 Ų14651.9 Ų51.978%0.78127%0.272SS*.THydrogen-bonded Turntrans-982.2-179.7-56.8-49.8000112.4D262 K266D262-N264 PolarHBondContact O-N 3.34Å; D262-N264 VanDerWaalsContact O-N 3.13Å; D262-N264 WeakPolarHBondContact OD1-CA 3.35Å; D262-N264 WeakPolarHBondContact OD1-CB 3.47Å; D262-N264 PolarHBondContact OD1-N 3.35Å; N264-K266 VanDerWaalsContact C-N 3.29Å; N264-K266 PolarHBondContact O-N 3.14Å
265G82.6Confident92.6Very high48 Ų4853.6 Ų53.650%0.49528%0.28SS..SBendtrans7417.4-175.200000113.9L261 D262L261-G265 WeakPolarHBondContact CD2-O 3.41Å; D262-G265 PolarHBondContact O-N 2.65Å; D262-G265 VanDerWaalsContact O-N 3.08Å; D262-G265 PolarHBondContact OD1-N 3.25Å; D262-G265 VanDerWaalsContact OD1-N 3.08Å
266K87.4Confident92.7Very high106 Ų10650.5 Ų50.546%0.46127%0.269SS..  trans-91.5144.4172.9-168.7170.3-176.21610110.4E150 L261 D262 N264 T268E150-K266 IonicContact OE1-NZ 3.61Å; E150-K266 WeakPolarHBondContact OE2-CE 3.2Å; E150-K266 IonicContact OE2-NZ 2.73Å; E150-K266 PolarHBondContact OE2-NZ 3.02Å; L261-K266 WeakPolarHBondContact CA-O 3.47Å; D262-K266 PolarHBondContact N-O 2.68Å; D262-K266 PolarHBondContact OD1-N 2.87Å; N264-K266 VanDerWaalsContact C-N 3.29Å; N264-K266 PolarHBondContact O-N 3.14Å; K266-T268 PolarHBondContact O-N 2.81Å
267T92.5Very high92.8Very high28 Ų2850.4 Ų50.417%0.17227%0.268CS..EExtended strand (participates in β ladder)trans-64.2127.6175.254.50000111.3A144 Q156 F259 L261A144-T267 HydrophobicContact CB-CG2 4.19Å; A144-T267 WeakPolarHBondContact O-CG2 3.48Å; Q156-T267 PolarHBondContact NE2-OG1 3.39Å; F259-T267 HydrophobicContact CB-CG2 4.17Å; L261-T267 HydrophobicContact CD2-CG2 4.28Å
268T94Very high92.5Very high43 Ų4351.7 Ų51.726%0.26427%0.274SS..EExtended strand (participates in β ladder)trans-82.5-175.1170.567.20000111.4Q156 F259 A260 D262 K266 K270Q156-T268 PolarHBondContact NE2-O 3.25Å; F259-T268 WeakPolarHBondContact CB-O 3.22Å; F259-T268 WeakPolarHBondContact CD1-O 3.1Å; F259-T268 WeakPolarHBondContact CG-O 3.07Å; A260-T268 WeakPolarHBondContact O-CB 3.31Å; A260-T268 WeakPolarHBondContact O-CG2 3.09Å; A260-T268 PolarHBondContact O-N 3.2Å; A260-T268 PolarHBondContact O-OG1 3.01Å; D262-T268 HydrophobicContact CB-CG2 3.84Å; K266-T268 PolarHBondContact O-N 2.81Å; T268-K270 VanDerWaalsContact C-N 3.32Å; T268-K270 PolarHBondContact OG1-N 3.12Å
269D93.1Very high92.3Very high83 Ų8352.7 Ų52.744%0.44428%0.281SS..EExtended strand (participates in β ladder)trans-86.2-2.6172.8-50.6-45.9000113.1S153 A155 Q156 L271S153-D269 PolarHBondContact OG-OD1 2.82Å; A155-D269 HydrophobicContact CB-CB 4.04Å; A155-D269 VanDerWaalsContact CB-CG 3.42Å; A155-D269 WeakPolarHBondContact CB-OD2 3.36Å; Q156-D269 HydrophobicContact CG-CB 4.37Å; Q156-D269 WeakPolarHBondContact CG-OD1 3.45Å; D269-L271 PolarHBondContact O-N 3.01Å
270K94.1Very high92.2Very high150 Ų15052.7 Ų52.765%0.65228%0.281SS*.EExtended strand (participates in β ladder)trans-82.3109-180-176.4-175.9178-172.60110F259 A260 T268 S272F259-K270 CarbonylContact C-O 3.48Å; F259-K270 WeakPolarHBondContact CA-O 3.46Å; A260-K270 HydrophobicContact CB-CB 4.14Å; A260-K270 HydrophobicContact CB-CD 4.22Å; A260-K270 HydrophobicContact CB-CG 4.41Å; A260-K270 PolarHBondContact N-O 3.37Å; T268-K270 VanDerWaalsContact C-N 3.32Å; T268-K270 PolarHBondContact OG1-N 3.12Å; K270-S272 PolarHBondContact O-N 3.29Å
271L96.9Very high92.2Very high7 Ų752 Ų524%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-63.9124.8172.6-175.464.4000109.7Q121 R159 L160 F163 I257 F259 D269 V274Q121-L271 HydrophobicContact CB-CD2 3.96Å; Q121-L271 HydrophobicContact CB-CG 3.88Å; Q121-L271 HydrophobicContact CG-CB 4.27Å; Q121-L271 HydrophobicContact CG-CD2 4.21Å; Q121-L271 HydrophobicContact CG-CG 4.09Å; Q121-L271 WeakPolarHBondContact CG-O 3.42Å; R159-L271 HydrophobicContact CG-CB 4.15Å; L160-L271 HydrophobicContact CD2-CD1 4Å; L160-L271 HydrophobicContact CD2-CD2 4.38Å; F163-L271 HydrophobicContact CB-CD2 3.79Å; F163-L271 HydrophobicContact CD2-CD2 3.47Å; F163-L271 VanDerWaalsContact CD2-CD2 3.47Å; F163-L271 HydrophobicContact CE2-CD2 4.2Å; F163-L271 HydrophobicContact CG-CD2 3.69Å; I257-L271 HydrophobicContact CG2-CD1 3.71Å; F259-L271 HydrophobicContact CD1-CB 4.44Å; F259-L271 HydrophobicContact CE1-CB 4.26Å; F259-L271 HydrophobicContact CE1-CD1 4.25Å; D269-L271 PolarHBondContact O-N 3.01Å; L271-V274 HydrophobicContact CD1-CG2 4.12Å; L271-V274 HydrophobicContact CD2-CG2 4.15Å
272S94.7Very high92.3Very high40 Ų4050.7 Ų50.728%0.2827%0.267SS..EExtended strand (participates in β ladder)trans-97.2-50.2178.1-66.90000111.5F258 A260 K270F258-S272 WeakPolarHBondContact O-CA 2.98Å; F258-S272 WeakPolarHBondContact O-CB 3.12Å; F258-S272 PolarHBondContact O-N 2.89Å; A260-S272 WeakPolarHBondContact CA-OG 3.35Å; A260-S272 WeakPolarHBondContact CB-OG 3.46Å; A260-S272 PolarHBondContact N-OG 2.9Å; A260-S272 VanDerWaalsContact N-OG 3.09Å; K270-S272 PolarHBondContact O-N 3.29Å
273A94.8Very high92.5Very high0 Ų047.7 Ų47.70%025%0.251CS..EExtended strand (participates in β ladder)trans-156.7145.5-175.600000112.3Q121 V139 F258 I275Q121-A273 CarbonylContact O-C 3.5Å; Q121-A273 WeakPolarHBondContact O-CA 2.94Å; V139-A273 HydrophobicContact CG1-CB 4.2Å; V139-A273 HydrophobicContact CG2-CB 4.27Å; F258-A273 HydrophobicContact CB-CB 4.26Å; F258-A273 PolarHBondContact N-O 3.24Å; F258-A273 PolarHBondContact O-N 2.89Å; A273-I275 HydrophobicContact CB-CG2 4.45Å
274V96.5Very high92.9Very high0 Ų038.3 Ų38.30%021%0.207CC..EExtended strand (participates in β ladder)trans-113.3129.3165.4178.40000108.5Q121 F163 F252 N256 L271 W277Q121-V274 PolarHBondContact O-N 2.97Å; F163-V274 HydrophobicContact CD1-CG2 4.18Å; F163-V274 HydrophobicContact CD2-CG2 4.43Å; F163-V274 HydrophobicContact CE1-CB 4.1Å; F163-V274 HydrophobicContact CE1-CG1 4.2Å; F163-V274 HydrophobicContact CE1-CG2 3.68Å; F163-V274 HydrophobicContact CE2-CB 4.41Å; F163-V274 HydrophobicContact CE2-CG2 3.92Å; F163-V274 HydrophobicContact CZ-CB 3.74Å; F163-V274 HydrophobicContact CZ-CG1 4.23Å; F163-V274 HydrophobicContact CZ-CG2 3.53Å; F252-V274 HydrophobicContact CD2-CG1 4.11Å; F252-V274 HydrophobicContact CE2-CG1 3.88Å; F252-V274 HydrophobicContact CE2-CG2 4.03Å; N256-V274 WeakPolarHBondContact O-CA 3.25Å; L271-V274 HydrophobicContact CD1-CG2 4.12Å; L271-V274 HydrophobicContact CD2-CG2 4.15Å; V274-W277 HydrophobicContact CB-CZ2 4.37Å; V274-W277 HydrophobicContact CG1-CZ2 4.01Å; V274-W277 PolarHBondContact O-NE1 2.87Å
275I94Very high93.4Very high37 Ų3731.4 Ų31.419%0.1917%0.17CC..  trans-126.4173.5-171.770161000111.8P123 H249 N256 F258 A273P123-I275 HydrophobicContact CG-CG2 3.87Å; H249-I275 PolarHBondContact CE1-O 3.15Å; H249-I275 PolarHBondContact NE2-O 3.24Å; N256-I275 WeakPolarHBondContact CB-O 3.44Å; N256-I275 PolarHBondContact O-N 2.84Å; F258-I275 HydrophobicContact CD2-CD1 4.35Å; F258-I275 HydrophobicContact CD2-CG1 4.33Å; F258-I275 HydrophobicContact CD2-CG2 4.39Å; F258-I275 HydrophobicContact CE2-CD1 3.52Å; F258-I275 HydrophobicContact CE2-CG1 3.94Å; F258-I275 HydrophobicContact CE2-CG2 4.49Å; F258-I275 HydrophobicContact CZ-CD1 4.32Å; A273-I275 HydrophobicContact CB-CG2 4.45Å
276D91.9Very high94Very high10 Ų1029.1 Ų29.15%0.05315%0.147CC..  trans65.464.2174.9-154.5-1.7000114.8K71 H249 Q278K71-D276 IonicContact NZ-OD1 3.64Å; K71-D276 PolarHBondContact NZ-OD1 3.18Å; K71-D276 IonicContact NZ-OD2 2.84Å; H249-D276 PolarHBondContact CE1-O 3.05Å; H249-D276 VanDerWaalsContact CE1-O 3.27Å; D276-Q278 PolarHBondContact O-N 3.11Å; D276-Q278 VanDerWaalsContact O-N 3.15Å; D276-Q278 WeakPolarHBondContact OD1-CB 3.45Å; D276-Q278 WeakPolarHBondContact OD1-CG 3.21Å; D276-Q278 PolarHBondContact OD1-NE2 3.3Å; D276-Q278 PolarHBondContact OD2-NE2 2.77Å
277W94.4Very high94.3Very high1 Ų124.2 Ų24.20%0.00413%0.125CC..G310 helixtrans-82.621.2-179.7-62.980.3000113.3E106 A109 Y110 L113 L122 F163 L167 F247 H249 V274 L279 C280E106-W277 HydrophobicContact CG-CB 4.07Å; A109-W277 HydrophobicContact CB-CB 3.55Å; A109-W277 HydrophobicContact CB-CD2 4.31Å; A109-W277 HydrophobicContact CB-CE3 4.35Å; A109-W277 HydrophobicContact CB-CG 4.01Å; Y110-W277 AromaticContact CZ-CD1 3.76Å; L113-W277 HydrophobicContact CD1-CD2 4.12Å; L113-W277 HydrophobicContact CD1-CE3 3.91Å; L113-W277 HydrophobicContact CD1-CH2 3.66Å; L113-W277 HydrophobicContact CD1-CZ2 3.9Å; L113-W277 HydrophobicContact CD1-CZ3 3.67Å; L122-W277 HydrophobicContact CD2-CZ2 3.45Å; L122-W277 VanDerWaalsContact CD2-CZ2 3.45Å; F163-W277 HydrophobicContact CZ-CH2 4.42Å; F163-W277 HydrophobicContact CZ-CZ2 4.3Å; L167-W277 HydrophobicContact CD1-CH2 3.88Å; L167-W277 HydrophobicContact CD1-CZ3 4.11Å; L167-W277 HydrophobicContact CD2-CH2 3.71Å; L167-W277 HydrophobicContact CD2-CZ3 3.86Å; L167-W277 HydrophobicContact CG-CH2 4.43Å; F247-W277 HydrophobicContact CD1-CZ3 4.19Å; F247-W277 AromaticContact CE1-CE3 3.89Å; F247-W277 HydrophobicContact CE1-CE3 3.89Å; F247-W277 AromaticContact CE1-CZ3 3.88Å; F247-W277 HydrophobicContact CE1-CZ3 3.88Å; H249-W277 HydrophobicContact CB-CE3 4.28Å; H249-W277 HydrophobicContact CB-CH2 4.43Å; H249-W277 HydrophobicContact CB-CZ3 3.95Å; H249-W277 AromaticContact CD2-CD2 3.49Å; H249-W277 VanDerWaalsContact CD2-CD2 3.49Å; H249-W277 AromaticContact CD2-CE2 3.56Å; H249-W277 AromaticContact CD2-CE3 3.5Å; H249-W277 VanDerWaalsContact CD2-CE3 3.5Å; H249-W277 AromaticContact CD2-CH2 3.72Å; H249-W277 AromaticContact CD2-CZ2 3.68Å; H249-W277 AromaticContact CD2-CZ3 3.63Å; H249-W277 AromaticContact NE2-CD2 3.96Å; H249-W277 AromaticContact NE2-CE2 4Å; V274-W277 HydrophobicContact CB-CZ2 4.37Å; V274-W277 HydrophobicContact CG1-CZ2 4.01Å; V274-W277 PolarHBondContact O-NE1 2.87Å; W277-L279 VanDerWaalsContact C-N 3.27Å; W277-L279 PolarHBondContact O-N 3.07Å; W277-C280 HydrophobicContact CE3-CB 4.29Å; W277-C280 WeakPolarHBondContact O-CB 3.49Å; W277-C280 PolarHBondContact O-N 3.2Å; W277-C280 VanDerWaalsContact O-N 3.16Å; W277-C280 PolarHBondContact O-SG 3.12Å
278Q90.8Very high94.5Very high27 Ų2722.9 Ų22.913%0.12612%0.117CC..G310 helixtrans-64.8-28.5-174.272.4175.6-88.600113.8M102 E106 D276M102-Q278 WeakPolarHBondContact CA-O 3.31Å; M102-Q278 HydrophobicContact CB-CB 4.26Å; M102-Q278 WeakPolarHBondContact CB-O 3.47Å; M102-Q278 WeakPolarHBondContact O-CA 3.33Å; E106-Q278 HydrophobicContact CB-CB 4.45Å; D276-Q278 PolarHBondContact O-N 3.11Å; D276-Q278 VanDerWaalsContact O-N 3.15Å; D276-Q278 WeakPolarHBondContact OD1-CB 3.45Å; D276-Q278 WeakPolarHBondContact OD1-CG 3.21Å; D276-Q278 PolarHBondContact OD1-NE2 3.3Å; D276-Q278 PolarHBondContact OD2-NE2 2.77Å
279L91.4Very high94.5Very high52 Ų5220.9 Ų20.927%0.27211%0.105SC..G310 helixtrans-98.612.8178.6-62.2-167.9000112.9M102 H249 D251 W277 H281M102-L279 HydrophobicContact CG-CD2 4.17Å; M102-L279 HydrophobicContact SD-CD2 3.4Å; M102-L279 WeakPolarHBondContact SD-CD2 3.22Å; H249-L279 CarbonylContact O-C 3.57Å; D251-L279 HydrophobicContact CB-CB 4.39Å; D251-L279 HydrophobicContact CB-CD1 4.07Å; D251-L279 HydrophobicContact CB-CG 4.39Å; W277-L279 VanDerWaalsContact C-N 3.27Å; W277-L279 PolarHBondContact O-N 3.07Å; L279-H281 PolarHBondContact O-ND1 2.77Å
280C95.3Very high94.5Very high0 Ų016.9 Ų16.90%08%0.084CC..  trans-64.2142.9-179.870.80000111.6S105 F247 V248 H249 W277S105-C280 PolarHBondContact O-SG 2.88Å; S105-C280 VanDerWaalsContact O-SG 3.41Å; F247-C280 HydrophobicContact CE1-CB 3.68Å; F247-C280 HydrophobicContact CZ-CB 4.17Å; V248-C280 WeakPolarHBondContact O-CA 3.48Å; V248-C280 WeakPolarHBondContact O-CB 3.27Å; H249-C280 WeakPolarHBondContact O-CA 3.47Å; H249-C280 PolarHBondContact O-N 3.41Å; W277-C280 HydrophobicContact CE3-CB 4.29Å; W277-C280 WeakPolarHBondContact O-CB 3.49Å; W277-C280 PolarHBondContact O-N 3.2Å; W277-C280 VanDerWaalsContact O-N 3.16Å; W277-C280 PolarHBondContact O-SG 3.12Å
281H96.1Very high94.3Very high1 Ų111.4 Ų11.41%0.0056%0.059CC..EExtended strand (participates in β ladder)trans-163.2170.8-176.660.5-74.1000111I182 P183 T188 V248 L279 E287I182-H281 VanDerWaalsContact CD1-C 3.41Å; P183-H281 HydrophobicContact CB-CB 4.2Å; P183-H281 CarbonylContact O-C 3.58Å; P183-H281 WeakPolarHBondContact O-CA 3.45Å; P183-H281 WeakPolarHBondContact O-CB 3.43Å; T188-H281 VanDerWaalsContact OG1-CB 3.23Å; T188-H281 WeakPolarHBondContact OG1-CB 3.5Å; V248-H281 PolarHBondContact N-O 3.46Å; V248-H281 PolarHBondContact O-N 3.42Å; L279-H281 PolarHBondContact O-ND1 2.77Å; H281-E287 IonicContact CE1-OE2 3.55Å; H281-E287 PolarHBondContact CE1-OE2 2.81Å; H281-E287 IonicContact NE2-OE1 3.5Å; H281-E287 IonicContact NE2-OE2 3.57Å; H281-E287 PolarHBondContact NE2-OE2 3.07Å; H281-E287 VanDerWaalsContact NE2-OE2 3.17Å
282Q96.1Very high94.2Very high26 Ų2611.1 Ų11.112%0.1216%0.057CC..EExtended strand (participates in β ladder)trans-74.4120.1166.7-60.8165.874.300108.1W178 K179 I182 P183 A185 D245W178-Q282 HydrophobicContact CE3-CG 4.39Å; W178-Q282 HydrophobicContact CH2-CG 4.31Å; W178-Q282 HydrophobicContact CZ3-CB 4.39Å; W178-Q282 HydrophobicContact CZ3-CG 3.65Å; K179-Q282 HydrophobicContact CB-CG 4.31Å; K179-Q282 HydrophobicContact CG-CG 4.2Å; K179-Q282 PolarHBondContact O-NE2 3.48Å; I182-Q282 HydrophobicContact CD1-CG 4.42Å; I182-Q282 HydrophobicContact CG1-CG 4.14Å; I182-Q282 PolarHBondContact O-NE2 2.87Å; P183-Q282 PolarHBondContact O-N 3.42Å; A185-Q282 WeakPolarHBondContact CA-O 3.49Å; A185-Q282 VanDerWaalsContact CB-O 3.24Å; A185-Q282 WeakPolarHBondContact CB-O 3.45Å; A185-Q282 PolarHBondContact N-O 3.14Å; D245-Q282 HydrophobicContact CB-CB 4.37Å
283G94.6Very high94Very high0 Ų09.2 Ų9.20%04%0.044CC..EExtended strand (participates in β ladder)trans-160.3-166.2-174.100000113.8H239 V246 V248H239-G283 PolarHBondContact NE2-O 2.89Å; V246-G283 WeakPolarHBondContact CG2-O 3.43Å; V246-G283 PolarHBondContact N-O 3.46Å; V246-G283 VanDerWaalsContact N-O 3.13Å; V246-G283 PolarHBondContact O-N 3.19Å; V246-G283 VanDerWaalsContact O-N 3.11Å; V248-G283 VanDerWaalsContact CG2-C 3.41Å
284S94.4Very high93.6Very high0 Ų010.8 Ų10.80%05%0.052CC..  trans-77.9142.1-173.9-175.80000112.9H239 V248 S286 E287H239-S284 WeakPolarHBondContact CB-OG 3.39Å; H239-S284 WeakPolarHBondContact ND1-CB 3.37Å; V248-S284 WeakPolarHBondContact CG2-O 3.43Å; S284-S286 PolarHBondContact O-N 2.94Å; S284-S286 PolarHBondContact OG-N 3.23Å; S284-S286 PolarHBondContact OG-OG 3.27Å; S284-E287 PolarHBondContact N-OE1 2.88Å; S284-E287 PolarHBondContact O-N 3.22Å; S284-E287 VanDerWaalsContact O-N 3.12Å
285F95.4Very high92.7Very high0 Ų010.9 Ų10.90%05%0.053CC..THydrogen-bonded Turntrans-51.9-25.7167.776.1-89.7000113.6Q168 H239 I242 F243 V246 F310 Y313 A333 F336 F337Q168-F285 PolarHBondContact NE2-O 3.34Å; Q168-F285 PolarHBondContact OE1-O 2.88Å; H239-F285 HydrophobicContact CB-CD1 4.06Å; H239-F285 HydrophobicContact CB-CE1 4.01Å; I242-F285 HydrophobicContact CB-CE1 4.44Å; F243-F285 HydrophobicContact CB-CB 4.34Å; F243-F285 HydrophobicContact CB-CD1 3.58Å; F243-F285 HydrophobicContact CB-CE1 4.2Å; F243-F285 HydrophobicContact CB-CG 4.2Å; F243-F285 HydrophobicContact CD1-CB 4.25Å; F243-F285 HydrophobicContact CD1-CG 4.39Å; F243-F285 AromaticContact CD2-CD1 3.46Å; F243-F285 HydrophobicContact CD2-CD1 3.46Å; F243-F285 VanDerWaalsContact CD2-CD1 3.46Å; F243-F285 HydrophobicContact CD2-CD2 4.21Å; F243-F285 AromaticContact CD2-CE1 3.53Å; F243-F285 HydrophobicContact CD2-CE1 3.53Å; F243-F285 HydrophobicContact CD2-CE2 4.3Å; F243-F285 AromaticContact CD2-CG 3.8Å; F243-F285 HydrophobicContact CD2-CG 3.8Å; F243-F285 AromaticContact CD2-CZ 3.97Å; F243-F285 HydrophobicContact CD2-CZ 3.97Å; F243-F285 HydrophobicContact CE2-CD1 4.26Å; F243-F285 HydrophobicContact CE2-CD2 4.21Å; F243-F285 HydrophobicContact CE2-CE1 4.23Å; F243-F285 HydrophobicContact CE2-CE2 4.22Å; F243-F285 HydrophobicContact CE2-CG 4.22Å; F243-F285 HydrophobicContact CE2-CZ 4.22Å; F243-F285 HydrophobicContact CG-CB 4.14Å; F243-F285 AromaticContact CG-CD1 3.63Å; F243-F285 HydrophobicContact CG-CD1 3.63Å; F243-F285 HydrophobicContact CG-CE1 4.16Å; F243-F285 AromaticContact CG-CG 3.89Å; F243-F285 HydrophobicContact CG-CG 3.89Å; V246-F285 HydrophobicContact CG2-CB 4.38Å; F285-F310 HydrophobicContact CD2-CE2 4.13Å; F285-F310 HydrophobicContact CD2-CZ 4.37Å; F285-F310 AromaticContact CE2-CE2 3.79Å; F285-F310 HydrophobicContact CE2-CE2 3.79Å; F285-F310 AromaticContact CE2-CZ 3.74Å; F285-F310 HydrophobicContact CE2-CZ 3.74Å; F285-Y313 WeakPolarHBondContact CB-OH 3.21Å; F285-Y313 HydrophobicContact CD2-CE1 4.18Å; F285-A333 HydrophobicContact CE2-CB 4.24Å; F285-A333 HydrophobicContact CZ-CB 4.19Å; F285-F336 AromaticContact CE1-CD1 3.89Å; F285-F336 HydrophobicContact CE1-CD1 3.89Å; F285-F336 HydrophobicContact CE1-CG 4.48Å; F285-F336 HydrophobicContact CZ-CB 4.2Å; F285-F336 AromaticContact CZ-CD1 3.92Å; F285-F336 HydrophobicContact CZ-CD1 3.92Å; F285-F336 HydrophobicContact CZ-CG 4.38Å; F285-F337 HydrophobicContact CE2-CB 4.44Å
286S94.9Very high92.4Very high0 Ų09.2 Ų9.20%04%0.044CC..THydrogen-bonded Turntrans-84.7-16.5-176.459.90000115S284 G290 T340S284-S286 PolarHBondContact O-N 2.94Å; S284-S286 PolarHBondContact OG-N 3.23Å; S284-S286 PolarHBondContact OG-OG 3.27Å; S286-G290 PolarHBondContact O-N 3.38Å; S286-T340 WeakPolarHBondContact OG-CB 3.41Å; S286-T340 VanDerWaalsContact OG-CG2 3.3Å; S286-T340 WeakPolarHBondContact OG-CG2 3.23Å; S286-T340 PolarHBondContact OG-OG1 3.39Å
287E94.2Very high92.4Very high3 Ų38.7 Ų8.71%0.0144%0.041CC..Hα-helixtrans-70.8-51-166.5-89.9-176.1-104.100114.5V248 H281 S284 G290 R291V248-E287 HydrophobicContact CG1-CB 3.84Å; H281-E287 IonicContact CE1-OE2 3.55Å; H281-E287 PolarHBondContact CE1-OE2 2.81Å; H281-E287 IonicContact NE2-OE1 3.5Å; H281-E287 IonicContact NE2-OE2 3.57Å; H281-E287 PolarHBondContact NE2-OE2 3.07Å; H281-E287 VanDerWaalsContact NE2-OE2 3.17Å; S284-E287 PolarHBondContact N-OE1 2.88Å; S284-E287 PolarHBondContact O-N 3.22Å; S284-E287 VanDerWaalsContact O-N 3.12Å; E287-G290 PolarHBondContact O-N 3.06Å; E287-R291 WeakPolarHBondContact O-CG 3.23Å; E287-R291 PolarHBondContact O-N 3.09Å; E287-R291 IonicContact OE2-CZ 3.94Å; E287-R291 IonicContact OE2-NH1 2.78Å; E287-R291 PolarHBondContact OE2-NH1 3.25Å; E287-R291 IonicContact OE2-NH2 3.18Å; E287-R291 PolarHBondContact OE2-NH2 3.29Å; E287-R291 VanDerWaalsContact OE2-NH2 3.08Å
288D96.1Very high92.1Very high0 Ų09.7 Ų9.70%05%0.048CC..Hα-helixtrans-66.3-43.2-176-71.6-32.1000111.6V164 V248 H249 G250 F252 G290 R291 L292V164-D288 HydrophobicContact CG1-CB 4.06Å; V164-D288 HydrophobicContact CG2-CB 4.18Å; V248-D288 WeakPolarHBondContact CA-OD2 3.48Å; V248-D288 WeakPolarHBondContact CG1-OD1 3.47Å; H249-D288 WeakPolarHBondContact CB-OD1 3.32Å; H249-D288 PolarHBondContact N-OD1 3.04Å; H249-D288 VanDerWaalsContact N-OD1 3.13Å; H249-D288 PolarHBondContact N-OD2 3.41Å; G250-D288 PolarHBondContact N-OD1 2.7Å; F252-D288 HydrophobicContact CB-CB 3.91Å; F252-D288 HydrophobicContact CD1-CB 4.26Å; F252-D288 HydrophobicContact CG-CB 4.22Å; D288-G290 VanDerWaalsContact C-N 3.33Å; D288-G290 PolarHBondContact O-N 2.99Å; D288-R291 PolarHBondContact O-N 2.99Å; D288-L292 PolarHBondContact O-N 3.03Å
289L95Very high91.9Very high1 Ų19.5 Ų9.51%0.0055%0.049CC..Hα-helixtrans-67.8-36.2176.2-164.568000111.1A161 L292 F293 F310 Y313 F337A161-L289 HydrophobicContact CB-CD1 4.26Å; L289-L292 HydrophobicContact CD1-CD2 4Å; L289-L292 WeakPolarHBondContact O-CB 3.36Å; L289-L292 PolarHBondContact O-N 3.44Å; L289-F293 HydrophobicContact CD1-CE2 4.21Å; L289-F293 HydrophobicContact CD2-CE2 4.43Å; L289-F293 HydrophobicContact CG-CD2 4.25Å; L289-F293 HydrophobicContact CG-CE2 3.96Å; L289-F293 WeakPolarHBondContact O-CD2 3.18Å; L289-F293 PolarHBondContact O-N 2.91Å; L289-F310 HydrophobicContact CD2-CB 4.27Å; L289-F310 HydrophobicContact CD2-CD2 3.97Å; L289-Y313 HydrophobicContact CD2-CG 4.42Å; L289-F337 HydrophobicContact CB-CE2 3.82Å; L289-F337 HydrophobicContact CB-CZ 4.46Å; L289-F337 HydrophobicContact CD2-CE2 3.85Å; L289-F337 HydrophobicContact CD2-CZ 3.86Å; L289-F337 HydrophobicContact CG-CE2 3.89Å; L289-F337 HydrophobicContact CG-CZ 4.02Å
290G92.7Very high91.6Very high0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-62.3-45.2173.800000112.3S286 E287 D288 L292 F293 M294S286-G290 PolarHBondContact O-N 3.38Å; E287-G290 PolarHBondContact O-N 3.06Å; D288-G290 VanDerWaalsContact C-N 3.33Å; D288-G290 PolarHBondContact O-N 2.99Å; G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 3.31Å; G290-F293 PolarHBondContact O-N 2.94Å; G290-M294 PolarHBondContact O-N 3.39Å
291R91.3Very high91.2Very high35 Ų3512.5 Ų12.513%0.1327%0.072CC..Hα-helixtrans-62.8-34.5175.1-73.8-173.5-18099.41.8112.4G250 F252 E287 D288 F293 M294 L344G250-R291 WeakPolarHBondContact O-CD 3.46Å; G250-R291 PolarHBondContact O-NE 2.79Å; G250-R291 PolarHBondContact O-NH1 3.48Å; F252-R291 CarbonylContact O-C 3.51Å; E287-R291 WeakPolarHBondContact O-CG 3.23Å; E287-R291 PolarHBondContact O-N 3.09Å; E287-R291 IonicContact OE2-CZ 3.94Å; E287-R291 IonicContact OE2-NH1 2.78Å; E287-R291 PolarHBondContact OE2-NH1 3.25Å; E287-R291 IonicContact OE2-NH2 3.18Å; E287-R291 PolarHBondContact OE2-NH2 3.29Å; E287-R291 VanDerWaalsContact OE2-NH2 3.08Å; D288-R291 PolarHBondContact O-N 2.99Å; R291-F293 PolarHBondContact O-N 3.21Å; R291-M294 WeakPolarHBondContact O-CB 3.19Å; R291-M294 PolarHBondContact O-N 3.13Å; R291-L344 HydrophobicContact CG-CD1 4.13Å
292L93.3Very high90.9Very high0 Ų012.7 Ų12.70%07%0.073CC..Iπ-helixtrans-59.6-46.7173.1-17467.7000111.3L157 L160 F252 I257 D288 L289 G290 M294 T296 V297L157-L292 HydrophobicContact CD1-CD2 3.55Å; L157-L292 HydrophobicContact CD1-CG 4.39Å; L160-L292 HydrophobicContact CB-CD2 3.86Å; L160-L292 HydrophobicContact CD1-CD1 3.72Å; L160-L292 HydrophobicContact CD1-CD2 3.99Å; F252-L292 HydrophobicContact CD1-CB 4.12Å; F252-L292 HydrophobicContact CD1-CD1 4.31Å; F252-L292 HydrophobicContact CE1-CB 4.49Å; F252-L292 HydrophobicContact CE1-CD1 4.21Å; F252-L292 HydrophobicContact CE1-CD2 4.27Å; F252-L292 PolarHBondContact O-N 2.96Å; I257-L292 HydrophobicContact CD1-CD1 3.87Å; D288-L292 PolarHBondContact O-N 3.03Å; L289-L292 HydrophobicContact CD1-CD2 4Å; L289-L292 WeakPolarHBondContact O-CB 3.36Å; L289-L292 PolarHBondContact O-N 3.44Å; G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 3.31Å; L292-M294 VanDerWaalsContact C-N 3.25Å; L292-M294 PolarHBondContact O-N 2.99Å; L292-T296 HydrophobicContact CD1-CG2 3.73Å; L292-T296 WeakPolarHBondContact O-CB 3.4Å; L292-T296 PolarHBondContact O-N 3.04Å; L292-V297 HydrophobicContact CG-CG2 4.3Å; L292-V297 PolarHBondContact O-N 2.75Å
293F91.6Very high90.5Very high0 Ų017.9 Ų17.90%09%0.092CC..Iπ-helixtrans-71.4-16.4-179.6-81-69.7000115.1L157 L289 G290 R291 V297 R302 L306 A309 F337 T341L157-F293 HydrophobicContact CD1-CE1 4.2Å; L157-F293 HydrophobicContact CD1-CE2 4.38Å; L157-F293 HydrophobicContact CD1-CZ 3.85Å; L157-F293 HydrophobicContact CD2-CE1 3.95Å; L157-F293 HydrophobicContact CD2-CZ 3.93Å; L157-F293 HydrophobicContact CG-CZ 4.39Å; L289-F293 HydrophobicContact CD1-CE2 4.21Å; L289-F293 HydrophobicContact CD2-CE2 4.43Å; L289-F293 HydrophobicContact CG-CD2 4.25Å; L289-F293 HydrophobicContact CG-CE2 3.96Å; L289-F293 WeakPolarHBondContact O-CD2 3.18Å; L289-F293 PolarHBondContact O-N 2.91Å; G290-F293 PolarHBondContact O-N 2.94Å; R291-F293 PolarHBondContact O-N 3.21Å; F293-V297 HydrophobicContact CD1-CB 3.9Å; F293-V297 HydrophobicContact CD1-CG1 3.96Å; F293-V297 HydrophobicContact CD1-CG2 3.78Å; F293-V297 HydrophobicContact CE1-CB 4.39Å; F293-V297 HydrophobicContact CE1-CG1 4.07Å; F293-V297 HydrophobicContact CE1-CG2 4.06Å; F293-V297 HydrophobicContact CG-CG2 4.41Å; F293-R302 HydrophobicContact CB-CG 4.42Å; F293-R302 HydrophobicContact CD1-CB 3.93Å; F293-R302 HydrophobicContact CD1-CG 3.7Å; F293-R302 HydrophobicContact CE1-CB 4.47Å; F293-R302 HydrophobicContact CE1-CG 4.41Å; F293-R302 HydrophobicContact CG-CG 4.38Å; F293-R302 PolarHBondContact O-NH1 3.13Å; F293-R302 VanDerWaalsContact O-NH1 3.14Å; F293-L306 HydrophobicContact CB-CD1 4.29Å; F293-L306 HydrophobicContact CD1-CD1 3.92Å; F293-L306 HydrophobicContact CD2-CD1 3.5Å; F293-L306 HydrophobicContact CE1-CD1 4.08Å; F293-L306 HydrophobicContact CE2-CD1 3.7Å; F293-L306 HydrophobicContact CG-CD1 3.63Å; F293-L306 HydrophobicContact CZ-CD1 3.98Å; F293-A309 HydrophobicContact CE2-CB 4.11Å; F293-A309 HydrophobicContact CZ-CB 3.66Å; F293-F337 AromaticContact CD2-CZ 3.91Å; F293-F337 HydrophobicContact CD2-CZ 3.91Å; F293-F337 HydrophobicContact CE2-CZ 4.04Å; F293-T341 HydrophobicContact CB-CG2 4.35Å
294M85Confident90.2Very high33 Ų3325.1 Ų25.116%0.16312%0.123CC..Iπ-helixtrans-68.8-63-179.7-171.7-17773.800111.3G290 R291 L292 F348 N377G290-M294 PolarHBondContact O-N 3.39Å; R291-M294 WeakPolarHBondContact O-CB 3.19Å; R291-M294 PolarHBondContact O-N 3.13Å; L292-M294 VanDerWaalsContact C-N 3.25Å; L292-M294 PolarHBondContact O-N 2.99Å; M294-F348 HydrophobicContact CE-CD2 3.71Å; M294-F348 HydrophobicContact CE-CE2 4.23Å; M294-F348 HydrophobicContact CE-CG 4.33Å; M294-F348 HydrophobicContact CG-CB 3.56Å; M294-F348 HydrophobicContact CG-CD1 4.07Å; M294-F348 HydrophobicContact CG-CD2 3.93Å; M294-F348 HydrophobicContact CG-CG 3.58Å; M294-F348 HydrophobicContact SD-CB 3.6Å; M294-F348 VanDerWaalsContact SD-CB 3.6Å; M294-F348 HydrophobicContact SD-CD2 3.85Å; M294-F348 HydrophobicContact SD-CG 3.89Å; M294-N377 PolarHBondContact O-ND2 3.26Å
295C79.4Confident90.1Very high3 Ų326.1 Ų26.12%0.0213%0.127CC..Iπ-helixtrans-116.2-21.2-173.3-166.50000114.2L148 F348 F370 R373L148-C295 WeakPolarHBondContact CD1-O 3.46Å; C295-F348 HydrophobicContact CB-CE1 4.49Å; C295-F348 HydrophobicContact CB-CE2 4.04Å; C295-F348 HydrophobicContact CB-CZ 3.82Å; C295-F370 WeakPolarHBondContact SG-CE2 3.28Å; C295-F370 VanDerWaalsContact SG-CZ 3.54Å; C295-R373 PolarHBondContact O-NH1 3.19Å
296T87.7Confident90Very high1 Ų127.1 Ų27.11%0.00613%0.133CC..Iπ-helixtrans-84.5-40.5-172.3-50.90000111.8G151 V152 W253 A254 L292 R373G151-T296 WeakPolarHBondContact CA-O 3.28Å; V152-T296 HydrophobicContact CG1-CG2 3.63Å; V152-T296 HydrophobicContact CG2-CG2 4.21Å; W253-T296 VanDerWaalsContact CA-OG1 3.32Å; W253-T296 WeakPolarHBondContact CA-OG1 3.17Å; A254-T296 HydrophobicContact CB-CG2 3.81Å; A254-T296 PolarHBondContact N-OG1 3.38Å; L292-T296 HydrophobicContact CD1-CG2 3.73Å; L292-T296 WeakPolarHBondContact O-CB 3.4Å; L292-T296 PolarHBondContact O-N 3.04Å; T296-R373 PolarHBondContact O-NH1 3.46Å
297V90.3Very high89.9Confident0 Ų031.5 Ų31.50%015%0.152CC..SBendtrans-88.5135.9-178-172.90000109.9V152 L157 L292 F293 V301 R302V152-V297 HydrophobicContact CG2-CG2 3.86Å; L157-V297 HydrophobicContact CD1-CG2 4.02Å; L292-V297 HydrophobicContact CG-CG2 4.3Å; L292-V297 PolarHBondContact O-N 2.75Å; F293-V297 HydrophobicContact CD1-CB 3.9Å; F293-V297 HydrophobicContact CD1-CG1 3.96Å; F293-V297 HydrophobicContact CD1-CG2 3.78Å; F293-V297 HydrophobicContact CE1-CB 4.39Å; F293-V297 HydrophobicContact CE1-CG1 4.07Å; F293-V297 HydrophobicContact CE1-CG2 4.06Å; F293-V297 HydrophobicContact CG-CG2 4.41Å; V297-V301 HydrophobicContact CG1-CB 3.64Å; V297-V301 HydrophobicContact CG1-CG1 3.46Å; V297-V301 VanDerWaalsContact CG1-CG1 3.46Å; V297-R302 HydrophobicContact CG1-CB 4.06Å
298T88.8Confident89.9Confident22 Ų2233.6 Ų33.614%0.13517%0.167CC..  trans-66.4153.2173.955.20000110.8S300 V301 R302T298-S300 VanDerWaalsContact C-N 3.26Å; T298-S300 PolarHBondContact O-N 3.45Å; T298-S300 PolarHBondContact OG1-OG 3.17Å; T298-V301 PolarHBondContact O-N 2.62Å; T298-V301 VanDerWaalsContact O-N 3.14Å; T298-V301 VanDerWaalsContact OG1-CB 3.31Å; T298-V301 WeakPolarHBondContact OG1-CB 3.42Å; T298-V301 WeakPolarHBondContact OG1-CG2 3.12Å; T298-V301 PolarHBondContact OG1-N 3.07Å; T298-R302 WeakPolarHBondContact O-CB 3.42Å; T298-R302 PolarHBondContact O-N 3.45Å
299P87.2Confident89.9Confident23 Ų2333.6 Ų33.615%0.14917%0.167CC..Hα-helixtrans-55-39.8177.9-28.236000113.7R302 R303 E376P299-R302 PolarHBondContact O-N 3.22Å; P299-R303 WeakPolarHBondContact O-CB 3.46Å; P299-R303 WeakPolarHBondContact O-CG 3.46Å; P299-R303 PolarHBondContact O-N 3.3Å; P299-E376 HydrophobicContact CB-CB 3.87Å; P299-E376 HydrophobicContact CB-CG 4.18Å; P299-E376 HydrophobicContact CG-CB 3.61Å; P299-E376 HydrophobicContact CG-CG 3.9Å
300S84.4Confident90Very high85 Ų8533.6 Ų33.659%0.59417%0.167SC*.Hα-helixtrans-64.8-43.2177.856.70000112.7T298 K304T298-S300 VanDerWaalsContact C-N 3.26Å; T298-S300 PolarHBondContact O-N 3.45Å; T298-S300 PolarHBondContact OG1-OG 3.17Å; S300-K304 WeakPolarHBondContact O-CB 3.47Å; S300-K304 PolarHBondContact O-N 3.23Å
301V87.5Confident90.1Very high29 Ų2935.6 Ų35.618%0.17618%0.181CC..Hα-helixtrans-70.2-40.5176.8175.10000110.3L157 V297 T298 K304 F305L157-V301 HydrophobicContact CD2-CG1 4.29Å; V297-V301 HydrophobicContact CG1-CB 3.64Å; V297-V301 HydrophobicContact CG1-CG1 3.46Å; V297-V301 VanDerWaalsContact CG1-CG1 3.46Å; T298-V301 PolarHBondContact O-N 2.62Å; T298-V301 VanDerWaalsContact O-N 3.14Å; T298-V301 VanDerWaalsContact OG1-CB 3.31Å; T298-V301 WeakPolarHBondContact OG1-CB 3.42Å; T298-V301 WeakPolarHBondContact OG1-CG2 3.12Å; T298-V301 PolarHBondContact OG1-N 3.07Å; V301-K304 PolarHBondContact O-N 3.39Å; V301-F305 HydrophobicContact CB-CD2 4.36Å; V301-F305 HydrophobicContact CG1-CD2 3.66Å; V301-F305 HydrophobicContact CG1-CE2 4.28Å; V301-F305 WeakPolarHBondContact O-CB 3.37Å; V301-F305 WeakPolarHBondContact O-CD2 3.39Å; V301-F305 PolarHBondContact O-N 3.02Å
302R89.9Confident90.4Very high6 Ų639.4 Ų39.42%0.02320%0.195CC..Hα-helixtrans-58.2-55.8176.5176.1178.159.2-116.37.2111.1F293 V297 T298 P299 K304 F305 L306 N377 D380F293-R302 HydrophobicContact CB-CG 4.42Å; F293-R302 HydrophobicContact CD1-CB 3.93Å; F293-R302 HydrophobicContact CD1-CG 3.7Å; F293-R302 HydrophobicContact CE1-CB 4.47Å; F293-R302 HydrophobicContact CE1-CG 4.41Å; F293-R302 HydrophobicContact CG-CG 4.38Å; F293-R302 PolarHBondContact O-NH1 3.13Å; F293-R302 VanDerWaalsContact O-NH1 3.14Å; V297-R302 HydrophobicContact CG1-CB 4.06Å; T298-R302 WeakPolarHBondContact O-CB 3.42Å; T298-R302 PolarHBondContact O-N 3.45Å; P299-R302 PolarHBondContact O-N 3.22Å; R302-K304 PolarHBondContact O-N 3.48Å; R302-K304 VanDerWaalsContact O-N 3.17Å; R302-F305 PolarHBondContact O-N 3.14Å; R302-L306 HydrophobicContact CG-CD1 4.45Å; R302-L306 VanDerWaalsContact O-CB 3.24Å; R302-L306 WeakPolarHBondContact O-CB 3.12Å; R302-L306 PolarHBondContact O-N 3.18Å; R302-N377 PolarHBondContact NH1-OD1 2.79Å; R302-N377 PolarHBondContact NH2-OD1 3.21Å; R302-D380 IonicContact CZ-OD2 3.76Å; R302-D380 VanDerWaalsContact CZ-OD2 3.26Å; R302-D380 IonicContact NE-OD2 3.29Å; R302-D380 PolarHBondContact NE-OD2 2.77Å; R302-D380 IonicContact NH2-OD2 2.84Å; R302-D380 PolarHBondContact NH2-OD2 2.87Å
303R86.9Confident90.6Very high134 Ų13439.4 Ų39.451%0.50620%0.195SC..Hα-helixtrans-56.9-33.4-179.6-71.4172.5-178.1145.94.4112.5P299 E376 D380P299-R303 WeakPolarHBondContact O-CB 3.46Å; P299-R303 WeakPolarHBondContact O-CG 3.46Å; P299-R303 PolarHBondContact O-N 3.3Å; R303-E376 IonicContact CZ-OE2 2.57Å; R303-E376 IonicContact NH1-OE2 2.69Å; R303-E376 PolarHBondContact NH1-OE2 3.43Å; R303-E376 IonicContact NH2-OE2 2.85Å; R303-E376 PolarHBondContact NH2-OE2 3.36Å; R303-D380 IonicContact CZ-OD1 2.79Å; R303-D380 VanDerWaalsContact CZ-OD1 3.23Å; R303-D380 IonicContact NE-OD1 3.55Å; R303-D380 PolarHBondContact NE-OD1 3.39Å; R303-D380 IonicContact NE-OD2 3.09Å; R303-D380 IonicContact NH2-OD1 2.69Å; R303-D380 PolarHBondContact NH2-OD1 3.12Å; R303-D380 IonicContact NH2-OD2 2.76Å
304K88.7Confident90.8Very high152 Ų15239.5 Ų39.566%0.66120%0.195SC*.Hα-helixtrans-80.6-38.1179.4-174174.2173.7-170.70113.7S300 V301 R302S300-K304 WeakPolarHBondContact O-CB 3.47Å; S300-K304 PolarHBondContact O-N 3.23Å; V301-K304 PolarHBondContact O-N 3.39Å; R302-K304 PolarHBondContact O-N 3.48Å; R302-K304 VanDerWaalsContact O-N 3.17Å
305F92.2Very high91.3Very high21 Ų2141.7 Ų41.79%0.09221%0.208CC..Hα-helixtrans-119.10.6-164.9-63.4-74.2000115.7E154 L157 M158 V301 R302 K307 S308 A309E154-F305 HydrophobicContact CB-CE1 4.45Å; E154-F305 HydrophobicContact CB-CE2 4.45Å; E154-F305 HydrophobicContact CB-CZ 4.14Å; E154-F305 HydrophobicContact CG-CD1 4.17Å; E154-F305 HydrophobicContact CG-CE1 3.74Å; E154-F305 HydrophobicContact CG-CZ 3.93Å; E154-F305 WeakPolarHBondContact OE1-CE1 3.49Å; E154-F305 WeakPolarHBondContact OE2-CE1 3.4Å; E154-F305 WeakPolarHBondContact OE2-CZ 2.97Å; L157-F305 HydrophobicContact CD2-CB 3.86Å; M158-F305 HydrophobicContact CE-CD1 4.37Å; V301-F305 HydrophobicContact CB-CD2 4.36Å; V301-F305 HydrophobicContact CG1-CD2 3.66Å; V301-F305 HydrophobicContact CG1-CE2 4.28Å; V301-F305 WeakPolarHBondContact O-CB 3.37Å; V301-F305 WeakPolarHBondContact O-CD2 3.39Å; V301-F305 PolarHBondContact O-N 3.02Å; R302-F305 PolarHBondContact O-N 3.14Å; F305-K307 PolarHBondContact O-N 2.75Å; F305-S308 VanDerWaalsContact CA-OG 3.26Å; F305-S308 WeakPolarHBondContact CA-OG 2.72Å; F305-S308 PolarHBondContact O-N 2.83Å; F305-S308 PolarHBondContact O-OG 3.47Å; F305-A309 VanDerWaalsContact O-CB 3.3Å; F305-A309 WeakPolarHBondContact O-CB 3.16Å; F305-A309 PolarHBondContact O-N 3.04Å
306L92.5Very high92.1Very high22 Ų2245.3 Ų45.312%0.11522%0.221CC..Hα-helixtrans-52.2-53.1-180-174.669.2000112.3F293 R302 F310 F337 T341F293-L306 HydrophobicContact CB-CD1 4.29Å; F293-L306 HydrophobicContact CD1-CD1 3.92Å; F293-L306 HydrophobicContact CD2-CD1 3.5Å; F293-L306 HydrophobicContact CE1-CD1 4.08Å; F293-L306 HydrophobicContact CE2-CD1 3.7Å; F293-L306 HydrophobicContact CG-CD1 3.63Å; F293-L306 HydrophobicContact CZ-CD1 3.98Å; R302-L306 HydrophobicContact CG-CD1 4.45Å; R302-L306 VanDerWaalsContact O-CB 3.24Å; R302-L306 WeakPolarHBondContact O-CB 3.12Å; R302-L306 PolarHBondContact O-N 3.18Å; L306-F310 PolarHBondContact O-N 3.16Å; L306-F310 VanDerWaalsContact O-N 3.16Å; L306-F337 HydrophobicContact CD1-CE1 3.61Å; L306-F337 HydrophobicContact CD1-CZ 3.72Å; L306-F337 HydrophobicContact CG-CE1 3.96Å; L306-T341 HydrophobicContact CD1-CG2 4.44Å
307K93.3Very high92.5Very high91 Ų9145.3 Ų45.340%0.39622%0.221SC..Hα-helixtrans-67.2-42.1-179.9-166.1166.7-176.5170.20112.5F305 F310 S311 F330 E331 Y334F305-K307 PolarHBondContact O-N 2.75Å; K307-F310 PolarHBondContact O-N 2.94Å; K307-S311 VanDerWaalsContact O-CB 3.31Å; K307-S311 WeakPolarHBondContact O-CB 2.71Å; K307-S311 PolarHBondContact O-N 2.86Å; K307-F330 VanDerWaalsContact CE-CE1 3.45Å; K307-F330 HydrophobicContact CG-CE1 4.49Å; K307-F330 HydrophobicContact CG-CZ 4.13Å; K307-E331 IonicContact NZ-OE1 3.42Å; K307-E331 PolarHBondContact NZ-OE1 2.75Å; K307-E331 IonicContact NZ-OE2 3.34Å; K307-E331 PolarHBondContact NZ-OE2 2.87Å; K307-Y334 HydrophobicContact CB-CE1 4.28Å; K307-Y334 HydrophobicContact CB-CE2 3.99Å; K307-Y334 WeakPolarHBondContact CB-OH 3.39Å; K307-Y334 HydrophobicContact CD-CD1 4.28Å; K307-Y334 HydrophobicContact CD-CE1 3.77Å; K307-Y334 HydrophobicContact CG-CD1 4.32Å; K307-Y334 HydrophobicContact CG-CD2 4.43Å; K307-Y334 HydrophobicContact CG-CE1 3.84Å; K307-Y334 HydrophobicContact CG-CE2 3.98Å
308S94.2Very high92.6Very high48 Ų4849.4 Ų49.434%0.33624%0.239SC..Hα-helixtrans-68.5-38.4-17952.50000112.8F305 S311 R312F305-S308 VanDerWaalsContact CA-OG 3.26Å; F305-S308 WeakPolarHBondContact CA-OG 2.72Å; F305-S308 PolarHBondContact O-N 2.83Å; F305-S308 PolarHBondContact O-OG 3.47Å; S308-S311 PolarHBondContact O-N 2.6Å; S308-R312 WeakPolarHBondContact O-CB 3.09Å; S308-R312 PolarHBondContact O-N 2.76Å
309A95.3Very high92.8Very high0 Ų056.1 Ų56.10%027%0.266CS..Hα-helixtrans-67.8-40.817600000111.2L157 M158 F293 F305 R312 Y313L157-A309 HydrophobicContact CD1-CB 4.33Å; L157-A309 HydrophobicContact CD2-CB 4.1Å; L157-A309 HydrophobicContact CG-CB 4.01Å; M158-A309 HydrophobicContact SD-CB 4.49Å; F293-A309 HydrophobicContact CE2-CB 4.11Å; F293-A309 HydrophobicContact CZ-CB 3.66Å; F305-A309 VanDerWaalsContact O-CB 3.3Å; F305-A309 WeakPolarHBondContact O-CB 3.16Å; F305-A309 PolarHBondContact O-N 3.04Å; A309-R312 WeakPolarHBondContact O-CB 3.44Å; A309-R312 PolarHBondContact O-N 3.3Å; A309-Y313 PolarHBondContact O-N 2.63Å
310F97.4Very high93.1Very high1 Ų158 Ų580%0.00427%0.274CS..Hα-helixtrans-66.5-39.4173.6-174.9-98.7000112.2F285 L289 L306 K307 R312 Y313 F314 F330 A333 Y334 F337F285-F310 HydrophobicContact CD2-CE2 4.13Å; F285-F310 HydrophobicContact CD2-CZ 4.37Å; F285-F310 AromaticContact CE2-CE2 3.79Å; F285-F310 HydrophobicContact CE2-CE2 3.79Å; F285-F310 AromaticContact CE2-CZ 3.74Å; F285-F310 HydrophobicContact CE2-CZ 3.74Å; L289-F310 HydrophobicContact CD2-CB 4.27Å; L289-F310 HydrophobicContact CD2-CD2 3.97Å; L306-F310 PolarHBondContact O-N 3.16Å; L306-F310 VanDerWaalsContact O-N 3.16Å; K307-F310 PolarHBondContact O-N 2.94Å; F310-R312 VanDerWaalsContact C-N 3.33Å; F310-R312 PolarHBondContact O-N 3.37Å; F310-Y313 AromaticContact CD2-CD1 3.93Å; F310-Y313 HydrophobicContact CD2-CD1 3.93Å; F310-Y313 AromaticContact CE2-CD1 3.72Å; F310-Y313 HydrophobicContact CE2-CD1 3.72Å; F310-Y313 AromaticContact CE2-CE1 3.93Å; F310-Y313 HydrophobicContact CE2-CE1 3.93Å; F310-Y313 HydrophobicContact CZ-CD1 4.36Å; F310-Y313 HydrophobicContact CZ-CE1 4.46Å; F310-Y313 WeakPolarHBondContact O-CB 3Å; F310-Y313 PolarHBondContact O-N 2.9Å; F310-F314 HydrophobicContact CE1-CB 4.25Å; F310-F314 HydrophobicContact CE1-CD2 4.33Å; F310-F314 HydrophobicContact CZ-CD2 4.33Å; F310-F314 VanDerWaalsContact O-CB 3.27Å; F310-F314 WeakPolarHBondContact O-CB 3.23Å; F310-F314 PolarHBondContact O-N 2.79Å; F310-F330 HydrophobicContact CD1-CD2 4.24Å; F310-F330 AromaticContact CD1-CE2 3.51Å; F310-F330 HydrophobicContact CD1-CE2 3.51Å; F310-F330 HydrophobicContact CD1-CZ 4.14Å; F310-F330 HydrophobicContact CE1-CD2 4.16Å; F310-F330 AromaticContact CE1-CE2 3.89Å; F310-F330 HydrophobicContact CE1-CE2 3.89Å; F310-A333 HydrophobicContact CE1-CB 4.1Å; F310-A333 HydrophobicContact CZ-CB 3.85Å; F310-Y334 HydrophobicContact CB-CD2 3.95Å; F310-Y334 HydrophobicContact CB-CE2 4.19Å; F310-Y334 AromaticContact CD1-CD2 3.42Å; F310-Y334 HydrophobicContact CD1-CD2 3.42Å; F310-Y334 VanDerWaalsContact CD1-CD2 3.42Å; F310-Y334 HydrophobicContact CD1-CE2 4.45Å; F310-Y334 HydrophobicContact CD1-CG 4.05Å; F310-Y334 VanDerWaalsContact CE1-CA 3.44Å; F310-Y334 HydrophobicContact CE1-CD2 4.17Å; F310-Y334 HydrophobicContact CE1-CG 4.46Å; F310-Y334 AromaticContact CG-CD2 3.81Å; F310-Y334 HydrophobicContact CG-CD2 3.81Å; F310-F337 HydrophobicContact CB-CD1 3.88Å; F310-F337 HydrophobicContact CB-CE1 3.77Å; F310-F337 HydrophobicContact CB-CZ 4.45Å; F310-F337 HydrophobicContact CD1-CD1 4.44Å; F310-F337 HydrophobicContact CD2-CB 3.83Å; F310-F337 AromaticContact CD2-CD1 3.55Å; F310-F337 HydrophobicContact CD2-CD1 3.55Å; F310-F337 AromaticContact CD2-CD2 3.81Å; F310-F337 HydrophobicContact CD2-CD2 3.81Å; F310-F337 HydrophobicContact CD2-CE1 4.02Å; F310-F337 HydrophobicContact CD2-CE2 4.28Å; F310-F337 AromaticContact CD2-CG 3.42Å; F310-F337 HydrophobicContact CD2-CG 3.42Å; F310-F337 VanDerWaalsContact CD2-CG 3.42Å; F310-F337 HydrophobicContact CD2-CZ 4.36Å; F310-F337 HydrophobicContact CE2-CB 3.59Å; F310-F337 HydrophobicContact CE2-CD1 4.23Å; F310-F337 HydrophobicContact CE2-CD2 4.12Å; F310-F337 AromaticContact CE2-CG 3.71Å; F310-F337 HydrophobicContact CE2-CG 3.71Å; F310-F337 HydrophobicContact CG-CB 4.44Å; F310-F337 AromaticContact CG-CD1 3.68Å; F310-F337 HydrophobicContact CG-CD1 3.68Å; F310-F337 HydrophobicContact CG-CE1 4.08Å; F310-F337 HydrophobicContact CG-CG 4.03Å; F310-F337 HydrophobicContact CZ-CB 4.03Å
311S96.2Very high93.5Very high41 Ų4153.9 Ų53.929%0.28725%0.246SC..Hα-helixtrans-58.2-45171.8169.50000111.5K307 S308 Y313 F314 D315 F330K307-S311 VanDerWaalsContact O-CB 3.31Å; K307-S311 WeakPolarHBondContact O-CB 2.71Å; K307-S311 PolarHBondContact O-N 2.86Å; S308-S311 PolarHBondContact O-N 2.6Å; S311-Y313 PolarHBondContact O-N 3.19Å; S311-F314 PolarHBondContact O-N 2.7Å; S311-D315 WeakPolarHBondContact O-CB 3.09Å; S311-D315 PolarHBondContact O-N 3.24Å; S311-F330 VanDerWaalsContact CA-CE2 3.47Å
312R96.9Very high93.6Very high115 Ų11555.5 Ų55.543%0.43426%0.257SS..Hα-helixtrans-58.4-49.4174.3179.661.6-179.2-149.4-5.8111.9M158 A161 D162 S308 A309 F310 F314 R316M158-R312 HydrophobicContact SD-CB 3.85Å; M158-R312 HydrophobicContact SD-CG 4.04Å; A161-R312 HydrophobicContact CB-CG 4.45Å; D162-R312 IonicContact OD1-CZ 3.95Å; D162-R312 IonicContact OD1-NE 2.8Å; D162-R312 PolarHBondContact OD1-NE 2.92Å; D162-R312 IonicContact OD1-NH2 3.3Å; D162-R312 PolarHBondContact OD1-NH2 2.64Å; D162-R312 IonicContact OD2-CZ 2.99Å; D162-R312 IonicContact OD2-NE 2.79Å; D162-R312 PolarHBondContact OD2-NE 2.87Å; D162-R312 IonicContact OD2-NH2 3.59Å; D162-R312 PolarHBondContact OD2-NH2 3.37Å; S308-R312 WeakPolarHBondContact O-CB 3.09Å; S308-R312 PolarHBondContact O-N 2.76Å; A309-R312 WeakPolarHBondContact O-CB 3.44Å; A309-R312 PolarHBondContact O-N 3.3Å; F310-R312 VanDerWaalsContact C-N 3.33Å; F310-R312 PolarHBondContact O-N 3.37Å; R312-F314 PolarHBondContact O-N 2.98Å; R312-R316 VanDerWaalsContact O-CB 3.31Å; R312-R316 WeakPolarHBondContact O-CB 3.5Å; R312-R316 PolarHBondContact O-N 2.72Å
313Y97.6Very high93.4Very high1 Ų160.8 Ų60.80%0.00428%0.282CS..Hα-helixtrans-56.6-48.8175.1161.2-89.9000111.7V164 A165 Q168 F285 L289 A309 F310 S311 R316 M317V164-Y313 HydrophobicContact CB-CD2 4.34Å; V164-Y313 HydrophobicContact CB-CE2 4.5Å; V164-Y313 HydrophobicContact CG1-CD2 4.09Å; V164-Y313 HydrophobicContact CG1-CE2 3.86Å; A165-Y313 HydrophobicContact CB-CD2 3.7Å; A165-Y313 HydrophobicContact CB-CE2 4.02Å; Q168-Y313 VanDerWaalsContact OE1-CZ 3.27Å; Q168-Y313 PolarHBondContact OE1-OH 2.83Å; F285-Y313 WeakPolarHBondContact CB-OH 3.21Å; F285-Y313 HydrophobicContact CD2-CE1 4.18Å; L289-Y313 HydrophobicContact CD2-CG 4.42Å; A309-Y313 PolarHBondContact O-N 2.63Å; F310-Y313 AromaticContact CD2-CD1 3.93Å; F310-Y313 HydrophobicContact CD2-CD1 3.93Å; F310-Y313 AromaticContact CE2-CD1 3.72Å; F310-Y313 HydrophobicContact CE2-CD1 3.72Å; F310-Y313 AromaticContact CE2-CE1 3.93Å; F310-Y313 HydrophobicContact CE2-CE1 3.93Å; F310-Y313 HydrophobicContact CZ-CD1 4.36Å; F310-Y313 HydrophobicContact CZ-CE1 4.46Å; F310-Y313 WeakPolarHBondContact O-CB 3Å; F310-Y313 PolarHBondContact O-N 2.9Å; S311-Y313 PolarHBondContact O-N 3.19Å; Y313-R316 WeakPolarHBondContact O-CB 3.13Å; Y313-R316 PolarHBondContact O-N 2.91Å; Y313-M317 HydrophobicContact CD1-CG 4.46Å; Y313-M317 HydrophobicContact CD2-CG 4.28Å; Y313-M317 HydrophobicContact CE1-CG 3.89Å; Y313-M317 HydrophobicContact CE2-CG 3.71Å; Y313-M317 HydrophobicContact CE2-SD 4.24Å; Y313-M317 VanDerWaalsContact CZ-CG 3.47Å; Y313-M317 WeakPolarHBondContact O-CG 3.45Å; Y313-M317 PolarHBondContact O-N 3.45Å
314F96.1Very high93.4Very high1 Ų158.5 Ų58.50%0.00427%0.274CS..Hα-helixtrans-68.2-42.1-174.8-173.7-98.4000112.3F243 F310 S311 R312 R316 M317 K318 L325 V328 F330 A333F243-F314 HydrophobicContact CE2-CE2 4.22Å; F243-F314 HydrophobicContact CZ-CD2 4.23Å; F243-F314 HydrophobicContact CZ-CE2 4.02Å; F310-F314 HydrophobicContact CE1-CB 4.25Å; F310-F314 HydrophobicContact CE1-CD2 4.33Å; F310-F314 HydrophobicContact CZ-CD2 4.33Å; F310-F314 VanDerWaalsContact O-CB 3.27Å; F310-F314 WeakPolarHBondContact O-CB 3.23Å; F310-F314 PolarHBondContact O-N 2.79Å; S311-F314 PolarHBondContact O-N 2.7Å; R312-F314 PolarHBondContact O-N 2.98Å; F314-R316 VanDerWaalsContact C-N 3.28Å; F314-R316 PolarHBondContact O-N 3.48Å; F314-M317 PolarHBondContact O-N 2.63Å; F314-K318 HydrophobicContact CD1-CD 4.15Å; F314-K318 HydrophobicContact CD1-CG 4.43Å; F314-K318 HydrophobicContact CE1-CD 3.69Å; F314-K318 HydrophobicContact CE1-CG 4.16Å; F314-K318 HydrophobicContact CZ-CD 4.34Å; F314-K318 PolarHBondContact O-N 3.36Å; F314-L325 HydrophobicContact CD2-CD2 4.15Å; F314-L325 HydrophobicContact CE2-CD2 3.88Å; F314-L325 HydrophobicContact CZ-CD2 4.32Å; F314-V328 HydrophobicContact CE2-CG1 3.95Å; F314-V328 HydrophobicContact CZ-CG1 4.17Å; F314-F330 HydrophobicContact CB-CD2 3.98Å; F314-F330 HydrophobicContact CB-CE2 4.32Å; F314-F330 HydrophobicContact CD1-CB 3.92Å; F314-F330 AromaticContact CD1-CD2 3.62Å; F314-F330 HydrophobicContact CD1-CD2 3.62Å; F314-F330 HydrophobicContact CD1-CG 4.25Å; F314-F330 HydrophobicContact CE1-CB 3.6Å; F314-F330 HydrophobicContact CE1-CD2 4.18Å; F314-F330 HydrophobicContact CE1-CG 4.4Å; F314-F330 AromaticContact CG-CD2 3.82Å; F314-F330 HydrophobicContact CG-CD2 3.82Å; F314-F330 HydrophobicContact CZ-CB 4.19Å; F314-A333 HydrophobicContact CD2-CB 4.02Å; F314-A333 HydrophobicContact CE2-CB 3.67Å
315D95.2Very high93.2Very high79 Ų7951.3 Ų51.342%0.42224%0.243SC..Hα-helixtrans-62.9-37.5174.1-74.6-15.4000111.5S311 K319S311-D315 WeakPolarHBondContact O-CB 3.09Å; S311-D315 PolarHBondContact O-N 3.24Å; D315-K319 WeakPolarHBondContact O-CG 2.92Å; D315-K319 PolarHBondContact O-N 3.42Å
316R96.1Very high92.4Very high80 Ų8058 Ų5830%0.30227%0.274SS..Hα-helixtrans-67.4-45.2175.5-169.765.1169.4173.1-1.4111.1A165 E166 R312 Y313 F314 K318 K319 L320A165-R316 HydrophobicContact CB-CB 3.71Å; A165-R316 HydrophobicContact CB-CG 3.61Å; E166-R316 IonicContact OE1-CZ 3.52Å; E166-R316 IonicContact OE1-NE 2.73Å; E166-R316 IonicContact OE1-NH2 3.58Å; E166-R316 PolarHBondContact OE1-NH2 3.04Å; R312-R316 VanDerWaalsContact O-CB 3.31Å; R312-R316 WeakPolarHBondContact O-CB 3.5Å; R312-R316 PolarHBondContact O-N 2.72Å; Y313-R316 WeakPolarHBondContact O-CB 3.13Å; Y313-R316 PolarHBondContact O-N 2.91Å; F314-R316 VanDerWaalsContact C-N 3.28Å; F314-R316 PolarHBondContact O-N 3.48Å; R316-K318 PolarHBondContact O-N 3.06Å; R316-K319 PolarHBondContact O-N 3.36Å; R316-K319 VanDerWaalsContact O-N 3.16Å; R316-L320 HydrophobicContact CG-CD1 3.92Å; R316-L320 HydrophobicContact CG-CG 4.5Å; R316-L320 WeakPolarHBondContact O-CG 3.27Å; R316-L320 PolarHBondContact O-N 3.02Å
317M95.5Very high91.8Very high0 Ų066 Ų660%031%0.311CS..Hα-helixtrans-59.6-43.5174-76.2-66-75.200112.2A165 Q168 A169 L172 F243 Y313 F314 K319 L320 A321 L325A165-M317 HydrophobicContact CB-CG 3.9Å; A165-M317 HydrophobicContact CB-SD 4.1Å; Q168-M317 HydrophobicContact CB-CE 4.09Å; Q168-M317 HydrophobicContact CB-SD 4.11Å; A169-M317 HydrophobicContact CB-SD 3.93Å; L172-M317 HydrophobicContact CD1-CE 3.75Å; F243-M317 HydrophobicContact CD1-CE 4.46Å; F243-M317 HydrophobicContact CE1-CE 3.97Å; Y313-M317 HydrophobicContact CD1-CG 4.46Å; Y313-M317 HydrophobicContact CD2-CG 4.28Å; Y313-M317 HydrophobicContact CE1-CG 3.89Å; Y313-M317 HydrophobicContact CE2-CG 3.71Å; Y313-M317 HydrophobicContact CE2-SD 4.24Å; Y313-M317 VanDerWaalsContact CZ-CG 3.47Å; Y313-M317 WeakPolarHBondContact O-CG 3.45Å; Y313-M317 PolarHBondContact O-N 3.45Å; F314-M317 PolarHBondContact O-N 2.63Å; M317-K319 PolarHBondContact O-N 3.47Å; M317-L320 PolarHBondContact O-N 3.02Å; M317-A321 WeakPolarHBondContact O-CA 3.34Å; M317-A321 PolarHBondContact O-N 2.86Å; M317-L325 HydrophobicContact CB-CD1 4.3Å; M317-L325 HydrophobicContact CB-CD2 3.69Å; M317-L325 HydrophobicContact CE-CD1 4.49Å
318K92Very high91.4Very high87 Ų8762.3 Ų62.338%0.37830%0.296SS..Hα-helixtrans-59.1-36175.4-86-171.3166.3177.20112.6F314 R316 P322 L325F314-K318 HydrophobicContact CD1-CD 4.15Å; F314-K318 HydrophobicContact CD1-CG 4.43Å; F314-K318 HydrophobicContact CE1-CD 3.69Å; F314-K318 HydrophobicContact CE1-CG 4.16Å; F314-K318 HydrophobicContact CZ-CD 4.34Å; F314-K318 PolarHBondContact O-N 3.36Å; R316-K318 PolarHBondContact O-N 3.06Å; K318-P322 VanDerWaalsContact O-CA 3.3Å; K318-P322 WeakPolarHBondContact O-CA 3.41Å; K318-P322 VanDerWaalsContact O-CB 3.29Å; K318-P322 WeakPolarHBondContact O-CB 3.49Å; K318-L325 HydrophobicContact CG-CB 3.95Å; K318-L325 HydrophobicContact CG-CD2 3.76Å
319K93.2Very high91Very high163 Ų16362.8 Ų62.871%0.70930%0.299SS*.Hα-helixtrans-74.6-40.7177.1-72.3173.6-176.6175.40112.7D315 R316 M317D315-K319 WeakPolarHBondContact O-CG 2.92Å; D315-K319 PolarHBondContact O-N 3.42Å; R316-K319 PolarHBondContact O-N 3.36Å; R316-K319 VanDerWaalsContact O-N 3.16Å; M317-K319 PolarHBondContact O-N 3.47Å
320L94.9Very high90.8Very high61 Ų6164.7 Ų64.732%0.31931%0.308SS..Hα-helixtrans-85.9-30.3-173.8-64.9176.3000113.6E166 A169 N173 R316 M317 P322E166-L320 HydrophobicContact CB-CD1 4.48Å; E166-L320 HydrophobicContact CG-CD1 3.82Å; A169-L320 HydrophobicContact CB-CB 3.5Å; A169-L320 VanDerWaalsContact CB-CB 3.5Å; A169-L320 HydrophobicContact CB-CD1 4.04Å; A169-L320 HydrophobicContact CB-CG 4.43Å; N173-L320 PolarHBondContact ND2-O 3.3Å; R316-L320 HydrophobicContact CG-CD1 3.92Å; R316-L320 HydrophobicContact CG-CG 4.5Å; R316-L320 WeakPolarHBondContact O-CG 3.27Å; R316-L320 PolarHBondContact O-N 3.02Å; M317-L320 PolarHBondContact O-N 3.02Å; L320-P322 VanDerWaalsContact C-CD 3.49Å
321A92.1Very high90.3Very high0 Ų069.4 Ų69.40%033%0.33CS..SBendtrans-13650-175.600000112.2A169 L172 M317 Q323 Y324 L325A169-A321 HydrophobicContact CB-CB 4.1Å; L172-A321 HydrophobicContact CD1-CB 4.33Å; M317-A321 WeakPolarHBondContact O-CA 3.34Å; M317-A321 PolarHBondContact O-N 2.86Å; A321-Q323 PolarHBondContact O-N 2.92Å; A321-Q323 VanDerWaalsContact O-N 3.11Å; A321-Y324 HydrophobicContact CB-CD2 4.19Å; A321-Y324 PolarHBondContact O-N 3.25Å; A321-Y324 VanDerWaalsContact O-N 3.15Å; A321-L325 HydrophobicContact CB-CD1 4.25Å; A321-L325 WeakPolarHBondContact O-CD1 3.43Å
322P89Confident89.8Confident62 Ų6271.7 Ų71.740%0.40334%0.336SS..Hα-helixtrans-55.8-36.7-170.820.6-32.5000113.5K318 L320 Y324 L325 Q326K318-P322 VanDerWaalsContact O-CA 3.3Å; K318-P322 WeakPolarHBondContact O-CA 3.41Å; K318-P322 VanDerWaalsContact O-CB 3.29Å; K318-P322 WeakPolarHBondContact O-CB 3.49Å; L320-P322 VanDerWaalsContact C-CD 3.49Å; P322-Y324 PolarHBondContact O-N 3.37Å; P322-Y324 VanDerWaalsContact O-N 3.17Å; P322-L325 PolarHBondContact O-N 3.25Å; P322-Q326 WeakPolarHBondContact O-CG 3.27Å; P322-Q326 PolarHBondContact O-N 3.27Å
323Q86.6Confident89.5Confident117 Ų11766.2 Ų66.255%0.54732%0.315SS..Hα-helixtrans-59.2-27.7-177.269.1-158.12900114.1A321A321-Q323 PolarHBondContact O-N 2.92Å; A321-Q323 VanDerWaalsContact O-N 3.11Å
324Y86.4Confident89.3Confident86 Ų8667.3 Ų67.334%0.33732%0.319SS..Hα-helixtrans-91.7-16.3178.5-59.3-78.6000113L172 P244 A321 P322L172-Y324 HydrophobicContact CB-CD2 3.79Å; L172-Y324 HydrophobicContact CB-CE2 3.69Å; L172-Y324 HydrophobicContact CB-CG 4.45Å; L172-Y324 HydrophobicContact CD1-CD2 4.12Å; L172-Y324 HydrophobicContact CD1-CG 4.24Å; L172-Y324 HydrophobicContact CG-CD2 4.44Å; L172-Y324 PolarHBondContact O-OH 3.39Å; P244-Y324 HydrophobicContact CG-CD1 3.98Å; A321-Y324 HydrophobicContact CB-CD2 4.19Å; A321-Y324 PolarHBondContact O-N 3.25Å; A321-Y324 VanDerWaalsContact O-N 3.15Å; P322-Y324 PolarHBondContact O-N 3.37Å; P322-Y324 VanDerWaalsContact O-N 3.17Å
325L84.3Confident88.8Confident1 Ų169.9 Ų69.91%0.00534%0.341CS..Hα-helixtrans-111.91-174.9-71.388.5000113.8F243 F314 M317 K318 A321 P322 Q327 V328F243-L325 HydrophobicContact CE1-CD1 3.76Å; F243-L325 HydrophobicContact CE1-CD2 3.68Å; F243-L325 HydrophobicContact CE1-CG 3.62Å; F243-L325 HydrophobicContact CZ-CD1 4.34Å; F243-L325 HydrophobicContact CZ-CD2 3.43Å; F243-L325 VanDerWaalsContact CZ-CD2 3.43Å; F243-L325 HydrophobicContact CZ-CG 3.69Å; F314-L325 HydrophobicContact CD2-CD2 4.15Å; F314-L325 HydrophobicContact CE2-CD2 3.88Å; F314-L325 HydrophobicContact CZ-CD2 4.32Å; M317-L325 HydrophobicContact CB-CD1 4.3Å; M317-L325 HydrophobicContact CB-CD2 3.69Å; M317-L325 HydrophobicContact CE-CD1 4.49Å; K318-L325 HydrophobicContact CG-CB 3.95Å; K318-L325 HydrophobicContact CG-CD2 3.76Å; A321-L325 HydrophobicContact CB-CD1 4.25Å; A321-L325 WeakPolarHBondContact O-CD1 3.43Å; P322-L325 PolarHBondContact O-N 3.25Å; L325-Q327 PolarHBondContact O-N 2.74Å; L325-V328 PolarHBondContact O-N 2.91Å
326Q76.7Confident88.6Confident162 Ų16267 Ų6776%0.75733%0.325SS*.THydrogen-bonded Turntrans-55-36.5-177.7-91.6176.38.300113.3P322P322-Q326 WeakPolarHBondContact O-CG 3.27Å; P322-Q326 PolarHBondContact O-N 3.27Å
327Q78.7Confident88.5Confident190 Ų19063.1 Ų63.189%0.88831%0.31SS*.THydrogen-bonded Turntrans-102.63.2-179.9-61.6-175.34.100113.3L325L325-Q327 PolarHBondContact O-N 2.74Å
328V85.1Confident88.2Confident14 Ų1465.4 Ų65.49%0.08532%0.321CS..  trans-93.8119.6-177.8-177.50000109.6I242 F243 F314 L325 A333I242-V328 HydrophobicContact CG2-CG1 3.53Å; I242-V328 HydrophobicContact CG2-CG2 4.43Å; I242-V328 WeakPolarHBondContact O-CG2 3.44Å; F243-V328 HydrophobicContact CD2-CG1 4.41Å; F243-V328 HydrophobicContact CE2-CG1 3.79Å; F243-V328 HydrophobicContact CZ-CG1 4.45Å; F314-V328 HydrophobicContact CE2-CG1 3.95Å; F314-V328 HydrophobicContact CZ-CG1 4.17Å; L325-V328 PolarHBondContact O-N 2.91Å; V328-A333 HydrophobicContact CG1-CB 4.07Å
329S86.8Confident88Confident57 Ų5764.3 Ų64.340%0.39932%0.316SS..  trans-78.8145.5172.475.20000110.8E331 Q332 A333S329-E331 VanDerWaalsContact C-N 3.29Å; S329-E331 PolarHBondContact O-N 3.47Å; S329-Q332 PolarHBondContact O-N 3.41Å; S329-Q332 WeakPolarHBondContact OG-CB 3.43Å; S329-Q332 PolarHBondContact OG-N 3.37Å; S329-A333 PolarHBondContact O-N 2.95Å
330F90.2Very high87.8Confident40 Ų4056.5 Ų56.518%0.17528%0.282CS..Hα-helixtrans-58.3-43.8176.3168.8-101.8000111.2K307 F310 S311 F314 A333 Y334K307-F330 VanDerWaalsContact CE-CE1 3.45Å; K307-F330 HydrophobicContact CG-CE1 4.49Å; K307-F330 HydrophobicContact CG-CZ 4.13Å; F310-F330 HydrophobicContact CD1-CD2 4.24Å; F310-F330 AromaticContact CD1-CE2 3.51Å; F310-F330 HydrophobicContact CD1-CE2 3.51Å; F310-F330 HydrophobicContact CD1-CZ 4.14Å; F310-F330 HydrophobicContact CE1-CD2 4.16Å; F310-F330 AromaticContact CE1-CE2 3.89Å; F310-F330 HydrophobicContact CE1-CE2 3.89Å; S311-F330 VanDerWaalsContact CA-CE2 3.47Å; F314-F330 HydrophobicContact CB-CD2 3.98Å; F314-F330 HydrophobicContact CB-CE2 4.32Å; F314-F330 HydrophobicContact CD1-CB 3.92Å; F314-F330 AromaticContact CD1-CD2 3.62Å; F314-F330 HydrophobicContact CD1-CD2 3.62Å; F314-F330 HydrophobicContact CD1-CG 4.25Å; F314-F330 HydrophobicContact CE1-CB 3.6Å; F314-F330 HydrophobicContact CE1-CD2 4.18Å; F314-F330 HydrophobicContact CE1-CG 4.4Å; F314-F330 AromaticContact CG-CD2 3.82Å; F314-F330 HydrophobicContact CG-CD2 3.82Å; F314-F330 HydrophobicContact CZ-CB 4.19Å; F330-A333 PolarHBondContact O-N 3.32Å; F330-Y334 HydrophobicContact CZ-CD2 4.49Å; F330-Y334 HydrophobicContact CZ-CG 4.25Å; F330-Y334 VanDerWaalsContact O-CB 3.27Å; F330-Y334 WeakPolarHBondContact O-CB 3.2Å; F330-Y334 PolarHBondContact O-N 2.92Å
331E86.3Confident87.7Confident101 Ų10153.8 Ų53.847%0.47227%0.268SS..Hα-helixtrans-68.6-37.7-176.1-63.4-61.6167.600112.5K307 S329 Y334 A335K307-E331 IonicContact NZ-OE1 3.42Å; K307-E331 PolarHBondContact NZ-OE1 2.75Å; K307-E331 IonicContact NZ-OE2 3.34Å; K307-E331 PolarHBondContact NZ-OE2 2.87Å; S329-E331 VanDerWaalsContact C-N 3.29Å; S329-E331 PolarHBondContact O-N 3.47Å; E331-Y334 PolarHBondContact O-N 3.4Å; E331-A335 VanDerWaalsContact O-CB 3.28Å; E331-A335 WeakPolarHBondContact O-CB 3.43Å; E331-A335 PolarHBondContact O-N 2.83Å
332Q86.3Confident87.5Confident89 Ų8953.8 Ų53.842%0.41627%0.268SS..Hα-helixtrans-63.3-43.6173.4-176.4-1759.900111.6I242 S329 F336I242-Q332 HydrophobicContact CD1-CG 4.07Å; I242-Q332 HydrophobicContact CG1-CG 4.26Å; I242-Q332 HydrophobicContact CG2-CG 4.5Å; S329-Q332 PolarHBondContact O-N 3.41Å; S329-Q332 WeakPolarHBondContact OG-CB 3.43Å; S329-Q332 PolarHBondContact OG-N 3.37Å; Q332-F336 PolarHBondContact O-N 3.19Å
333A91Very high87.5Confident0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-68.3-39.8178.300000111.8I242 F243 F285 F310 F314 V328 S329 F330 F336 F337I242-A333 HydrophobicContact CG2-CB 4.31Å; F243-A333 HydrophobicContact CE2-CB 4.01Å; F285-A333 HydrophobicContact CE2-CB 4.24Å; F285-A333 HydrophobicContact CZ-CB 4.19Å; F310-A333 HydrophobicContact CE1-CB 4.1Å; F310-A333 HydrophobicContact CZ-CB 3.85Å; F314-A333 HydrophobicContact CD2-CB 4.02Å; F314-A333 HydrophobicContact CE2-CB 3.67Å; V328-A333 HydrophobicContact CG1-CB 4.07Å; S329-A333 PolarHBondContact O-N 2.95Å; F330-A333 PolarHBondContact O-N 3.32Å; A333-F336 PolarHBondContact O-N 3.11Å; A333-F337 WeakPolarHBondContact O-CB 3.46Å; A333-F337 PolarHBondContact O-N 3.3Å
334Y93.6Very high87.5Confident23 Ų2346.3 Ų46.39%0.0923%0.228CC..Hα-helixtrans-67.3-42.1178.2-177.7-116.4000111.7K307 F310 F330 E331 F336 F337 E338K307-Y334 HydrophobicContact CB-CE1 4.28Å; K307-Y334 HydrophobicContact CB-CE2 3.99Å; K307-Y334 WeakPolarHBondContact CB-OH 3.39Å; K307-Y334 HydrophobicContact CD-CD1 4.28Å; K307-Y334 HydrophobicContact CD-CE1 3.77Å; K307-Y334 HydrophobicContact CG-CD1 4.32Å; K307-Y334 HydrophobicContact CG-CD2 4.43Å; K307-Y334 HydrophobicContact CG-CE1 3.84Å; K307-Y334 HydrophobicContact CG-CE2 3.98Å; F310-Y334 HydrophobicContact CB-CD2 3.95Å; F310-Y334 HydrophobicContact CB-CE2 4.19Å; F310-Y334 AromaticContact CD1-CD2 3.42Å; F310-Y334 HydrophobicContact CD1-CD2 3.42Å; F310-Y334 VanDerWaalsContact CD1-CD2 3.42Å; F310-Y334 HydrophobicContact CD1-CE2 4.45Å; F310-Y334 HydrophobicContact CD1-CG 4.05Å; F310-Y334 VanDerWaalsContact CE1-CA 3.44Å; F310-Y334 HydrophobicContact CE1-CD2 4.17Å; F310-Y334 HydrophobicContact CE1-CG 4.46Å; F310-Y334 AromaticContact CG-CD2 3.81Å; F310-Y334 HydrophobicContact CG-CD2 3.81Å; F330-Y334 HydrophobicContact CZ-CD2 4.49Å; F330-Y334 HydrophobicContact CZ-CG 4.25Å; F330-Y334 VanDerWaalsContact O-CB 3.27Å; F330-Y334 WeakPolarHBondContact O-CB 3.2Å; F330-Y334 PolarHBondContact O-N 2.92Å; E331-Y334 PolarHBondContact O-N 3.4Å; Y334-F336 VanDerWaalsContact C-N 3.31Å; Y334-F336 PolarHBondContact O-N 3.32Å; Y334-F337 AromaticContact CD2-CD1 3.81Å; Y334-F337 HydrophobicContact CD2-CD1 3.81Å; Y334-F337 HydrophobicContact CD2-CE1 4.48Å; Y334-F337 AromaticContact CE2-CD1 3.85Å; Y334-F337 HydrophobicContact CE2-CD1 3.85Å; Y334-F337 HydrophobicContact CE2-CE1 4.15Å; Y334-F337 PolarHBondContact O-N 3.37Å; Y334-E338 VanDerWaalsContact O-CB 3.28Å; Y334-E338 WeakPolarHBondContact O-CB 3.47Å; Y334-E338 PolarHBondContact O-N 3.03Å
335A85.6Confident87.7Confident56 Ų5642.5 Ų42.546%0.46321%0.213SC..Hα-helixtrans-60.2-40.7175.600000112E331 K339E331-A335 VanDerWaalsContact O-CB 3.28Å; E331-A335 WeakPolarHBondContact O-CB 3.43Å; E331-A335 PolarHBondContact O-N 2.83Å; A335-K339 WeakPolarHBondContact O-CB 3.35Å; A335-K339 PolarHBondContact O-N 3.04Å
336F90.1Very high87.8Confident17 Ų1742.4 Ų42.48%0.07521%0.213CC..Hα-helixtrans-66.7-44.4173.9-169.4-84000111.7H239 I242 F285 Q332 A333 Y334 E338 K339 T340H239-F336 HydrophobicContact CB-CD1 4.17Å; H239-F336 HydrophobicContact CB-CE1 3.5Å; H239-F336 VanDerWaalsContact CB-CE1 3.5Å; H239-F336 HydrophobicContact CB-CE2 4.39Å; H239-F336 HydrophobicContact CB-CZ 3.63Å; I242-F336 HydrophobicContact CD1-CB 3.51Å; I242-F336 HydrophobicContact CD1-CD2 3.88Å; I242-F336 HydrophobicContact CD1-CG 3.79Å; F285-F336 AromaticContact CE1-CD1 3.89Å; F285-F336 HydrophobicContact CE1-CD1 3.89Å; F285-F336 HydrophobicContact CE1-CG 4.48Å; F285-F336 HydrophobicContact CZ-CB 4.2Å; F285-F336 AromaticContact CZ-CD1 3.92Å; F285-F336 HydrophobicContact CZ-CD1 3.92Å; F285-F336 HydrophobicContact CZ-CG 4.38Å; Q332-F336 PolarHBondContact O-N 3.19Å; A333-F336 PolarHBondContact O-N 3.11Å; Y334-F336 VanDerWaalsContact C-N 3.31Å; Y334-F336 PolarHBondContact O-N 3.32Å; F336-E338 VanDerWaalsContact C-N 3.34Å; F336-E338 PolarHBondContact O-N 3.25Å; F336-K339 PolarHBondContact O-N 3.04Å; F336-T340 WeakPolarHBondContact CE1-OG1 3.29Å; F336-T340 PolarHBondContact O-N 2.96Å; F336-T340 PolarHBondContact O-OG1 2.83Å; F336-T340 VanDerWaalsContact O-OG1 3.12Å
337F94.1Very high88Confident0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-60.1-42.4176.4164.9-104.6000113F285 L289 F293 L306 F310 A333 Y334 T340 T341F285-F337 HydrophobicContact CE2-CB 4.44Å; L289-F337 HydrophobicContact CB-CE2 3.82Å; L289-F337 HydrophobicContact CB-CZ 4.46Å; L289-F337 HydrophobicContact CD2-CE2 3.85Å; L289-F337 HydrophobicContact CD2-CZ 3.86Å; L289-F337 HydrophobicContact CG-CE2 3.89Å; L289-F337 HydrophobicContact CG-CZ 4.02Å; F293-F337 AromaticContact CD2-CZ 3.91Å; F293-F337 HydrophobicContact CD2-CZ 3.91Å; F293-F337 HydrophobicContact CE2-CZ 4.04Å; L306-F337 HydrophobicContact CD1-CE1 3.61Å; L306-F337 HydrophobicContact CD1-CZ 3.72Å; L306-F337 HydrophobicContact CG-CE1 3.96Å; F310-F337 HydrophobicContact CB-CD1 3.88Å; F310-F337 HydrophobicContact CB-CE1 3.77Å; F310-F337 HydrophobicContact CB-CZ 4.45Å; F310-F337 HydrophobicContact CD1-CD1 4.44Å; F310-F337 HydrophobicContact CD2-CB 3.83Å; F310-F337 AromaticContact CD2-CD1 3.55Å; F310-F337 HydrophobicContact CD2-CD1 3.55Å; F310-F337 AromaticContact CD2-CD2 3.81Å; F310-F337 HydrophobicContact CD2-CD2 3.81Å; F310-F337 HydrophobicContact CD2-CE1 4.02Å; F310-F337 HydrophobicContact CD2-CE2 4.28Å; F310-F337 AromaticContact CD2-CG 3.42Å; F310-F337 HydrophobicContact CD2-CG 3.42Å; F310-F337 VanDerWaalsContact CD2-CG 3.42Å; F310-F337 HydrophobicContact CD2-CZ 4.36Å; F310-F337 HydrophobicContact CE2-CB 3.59Å; F310-F337 HydrophobicContact CE2-CD1 4.23Å; F310-F337 HydrophobicContact CE2-CD2 4.12Å; F310-F337 AromaticContact CE2-CG 3.71Å; F310-F337 HydrophobicContact CE2-CG 3.71Å; F310-F337 HydrophobicContact CG-CB 4.44Å; F310-F337 AromaticContact CG-CD1 3.68Å; F310-F337 HydrophobicContact CG-CD1 3.68Å; F310-F337 HydrophobicContact CG-CE1 4.08Å; F310-F337 HydrophobicContact CG-CG 4.03Å; F310-F337 HydrophobicContact CZ-CB 4.03Å; A333-F337 WeakPolarHBondContact O-CB 3.46Å; A333-F337 PolarHBondContact O-N 3.3Å; Y334-F337 AromaticContact CD2-CD1 3.81Å; Y334-F337 HydrophobicContact CD2-CD1 3.81Å; Y334-F337 HydrophobicContact CD2-CE1 4.48Å; Y334-F337 AromaticContact CE2-CD1 3.85Å; Y334-F337 HydrophobicContact CE2-CD1 3.85Å; Y334-F337 HydrophobicContact CE2-CE1 4.15Å; Y334-F337 PolarHBondContact O-N 3.37Å; F337-T340 PolarHBondContact O-N 3.33Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 2.97Å; F337-T341 PolarHBondContact O-OG1 2.96Å
338E90.3Very high88.3Confident47 Ų4727.4 Ų27.422%0.2214%0.143CC..Hα-helixtrans-62.5-47.9177.5-175.4175.1-130.100110.3Y334 F336 T340 T341 A342 Q384Y334-E338 VanDerWaalsContact O-CB 3.28Å; Y334-E338 WeakPolarHBondContact O-CB 3.47Å; Y334-E338 PolarHBondContact O-N 3.03Å; F336-E338 VanDerWaalsContact C-N 3.34Å; F336-E338 PolarHBondContact O-N 3.25Å; E338-T340 PolarHBondContact O-N 3.06Å; E338-T341 PolarHBondContact O-N 3.44Å; E338-A342 PolarHBondContact O-N 2.85Å; E338-Q384 PolarHBondContact O-OE1 2.75Å
339K86.9Confident88.3Confident64 Ų6426.8 Ų26.828%0.27814%0.139SC..Hα-helixtrans-57.5-49.4173.9-176.9-178.1173.41790112E234 I235 A335 F336 T341 A342 Y343E234-K339 IonicContact OE1-NZ 3.27Å; E234-K339 PolarHBondContact OE1-NZ 2.82Å; E234-K339 IonicContact OE2-NZ 2.99Å; E234-K339 PolarHBondContact OE2-NZ 2.87Å; I235-K339 HydrophobicContact CD1-CD 4.25Å; I235-K339 HydrophobicContact CD1-CG 3.96Å; A335-K339 WeakPolarHBondContact O-CB 3.35Å; A335-K339 PolarHBondContact O-N 3.04Å; F336-K339 PolarHBondContact O-N 3.04Å; K339-T341 VanDerWaalsContact C-N 3.32Å; K339-T341 PolarHBondContact O-N 3.15Å; K339-A342 PolarHBondContact O-N 3.17Å; K339-Y343 HydrophobicContact CG-CD2 4.21Å; K339-Y343 HydrophobicContact CG-CE2 4.03Å; K339-Y343 WeakPolarHBondContact O-CD2 3.34Å; K339-Y343 PolarHBondContact O-N 3.45Å
340T90Very high87.7Confident0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-55.8-47.4175.5-64.10000111.3I235 S286 F336 F337 E338 A342 Y343 L344I235-T340 HydrophobicContact CG2-CG2 3.66Å; S286-T340 WeakPolarHBondContact OG-CB 3.41Å; S286-T340 VanDerWaalsContact OG-CG2 3.3Å; S286-T340 WeakPolarHBondContact OG-CG2 3.23Å; S286-T340 PolarHBondContact OG-OG1 3.39Å; F336-T340 WeakPolarHBondContact CE1-OG1 3.29Å; F336-T340 PolarHBondContact O-N 2.96Å; F336-T340 PolarHBondContact O-OG1 2.83Å; F336-T340 VanDerWaalsContact O-OG1 3.12Å; F337-T340 PolarHBondContact O-N 3.33Å; E338-T340 PolarHBondContact O-N 3.06Å; T340-A342 VanDerWaalsContact C-N 3.31Å; T340-A342 PolarHBondContact O-N 3.21Å; T340-Y343 PolarHBondContact O-N 3.27Å; T340-L344 HydrophobicContact CG2-CD1 3.92Å; T340-L344 HydrophobicContact CG2-CG 4.33Å; T340-L344 WeakPolarHBondContact O-CG 3.18Å; T340-L344 PolarHBondContact O-N 2.69Å
341T91.1Very high87Confident4 Ų423.5 Ų23.53%0.02512%0.123CC..Hα-helixtrans-62-39.6-178.1-57.90000111.2F293 L306 F337 E338 K339 L344 N345F293-T341 HydrophobicContact CB-CG2 4.35Å; L306-T341 HydrophobicContact CD1-CG2 4.44Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 2.97Å; F337-T341 PolarHBondContact O-OG1 2.96Å; E338-T341 PolarHBondContact O-N 3.44Å; K339-T341 VanDerWaalsContact C-N 3.32Å; K339-T341 PolarHBondContact O-N 3.15Å; T341-L344 PolarHBondContact O-N 2.92Å; T341-N345 WeakPolarHBondContact O-CB 3.29Å; T341-N345 PolarHBondContact O-N 3.08Å
342A88.5Confident86.7Confident0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-62.6-42.617500000112.6E338 K339 T340 N345 V346 A381 Q384 F385E338-A342 PolarHBondContact O-N 2.85Å; K339-A342 PolarHBondContact O-N 3.17Å; T340-A342 VanDerWaalsContact C-N 3.31Å; T340-A342 PolarHBondContact O-N 3.21Å; A342-N345 WeakPolarHBondContact O-CB 3.49Å; A342-N345 PolarHBondContact O-N 3.05Å; A342-V346 PolarHBondContact O-N 3.1Å; A342-V346 VanDerWaalsContact O-N 3.11Å; A342-A381 HydrophobicContact CB-CB 4.02Å; A342-A381 WeakPolarHBondContact O-CB 3.35Å; A342-Q384 HydrophobicContact CB-CB 4.28Å; A342-Q384 VanDerWaalsContact CB-OE1 3.28Å; A342-F385 HydrophobicContact CB-CE1 4.46Å; A342-F385 HydrophobicContact CB-CE2 3.75Å; A342-F385 HydrophobicContact CB-CZ 3.67Å
343Y88.5Confident86Confident12 Ų1215 Ų155%0.0479%0.086CC..Hα-helixtrans-64.2-45.4176-84.3-77.5000111.8I225 N231 L232 I235 K339 T340 N345 V346 M347 F385I225-Y343 HydrophobicContact CG2-CD1 3.99Å; I225-Y343 HydrophobicContact CG2-CE1 3.74Å; N231-Y343 HydrophobicContact CB-CE1 4.3Å; N231-Y343 VanDerWaalsContact CB-OH 3.32Å; N231-Y343 WeakPolarHBondContact CB-OH 3.39Å; N231-Y343 PolarHBondContact ND2-OH 2.98Å; L232-Y343 HydrophobicContact CD2-CD1 3.55Å; L232-Y343 HydrophobicContact CD2-CE1 3.96Å; L232-Y343 HydrophobicContact CD2-CG 4.45Å; I235-Y343 HydrophobicContact CD1-CD2 3.38Å; I235-Y343 HydrophobicContact CD1-CE2 3.77Å; I235-Y343 HydrophobicContact CD1-CG 4.21Å; I235-Y343 HydrophobicContact CG1-CD2 3.45Å; I235-Y343 VanDerWaalsContact CG1-CD2 3.45Å; I235-Y343 HydrophobicContact CG1-CE2 3.99Å; I235-Y343 HydrophobicContact CG1-CG 3.78Å; K339-Y343 HydrophobicContact CG-CD2 4.21Å; K339-Y343 HydrophobicContact CG-CE2 4.03Å; K339-Y343 WeakPolarHBondContact O-CD2 3.34Å; K339-Y343 PolarHBondContact O-N 3.45Å; T340-Y343 PolarHBondContact O-N 3.27Å; Y343-N345 VanDerWaalsContact C-N 3.28Å; Y343-N345 PolarHBondContact O-N 2.77Å; Y343-V346 PolarHBondContact O-N 3.22Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; Y343-M347 VanDerWaalsContact O-CG 3.29Å; Y343-M347 WeakPolarHBondContact O-CG 3.35Å; Y343-M347 PolarHBondContact O-N 2.75Å; Y343-F385 HydrophobicContact CD1-CE1 4.17Å; Y343-F385 AromaticContact CD1-CZ 3.85Å; Y343-F385 HydrophobicContact CD1-CZ 3.85Å; Y343-F385 AromaticContact CD2-CE1 3.75Å; Y343-F385 HydrophobicContact CD2-CE1 3.75Å; Y343-F385 AromaticContact CD2-CZ 3.71Å; Y343-F385 HydrophobicContact CD2-CZ 3.71Å; Y343-F385 AromaticContact CE1-CE1 3.84Å; Y343-F385 HydrophobicContact CE1-CE1 3.84Å; Y343-F385 AromaticContact CE1-CZ 3.98Å; Y343-F385 HydrophobicContact CE1-CZ 3.98Å; Y343-F385 AromaticContact CE2-CE1 3.39Å; Y343-F385 HydrophobicContact CE2-CE1 3.39Å; Y343-F385 AromaticContact CE2-CZ 3.85Å; Y343-F385 HydrophobicContact CE2-CZ 3.85Å; Y343-F385 HydrophobicContact CG-CE1 4.13Å; Y343-F385 AromaticContact CG-CZ 3.71Å; Y343-F385 HydrophobicContact CG-CZ 3.71Å; Y343-F385 AromaticContact CZ-CE1 3.41Å; Y343-F385 VanDerWaalsContact CZ-CE1 3.41Å; Y343-F385 AromaticContact CZ-CZ 3.96Å
344L88Confident85Confident10 Ų1015.9 Ų15.95%0.0529%0.092CC..Hα-helixtrans-59.4-39.5176.5-68.7174.2000111.9R291 T340 T341 V346 M347 F348R291-L344 HydrophobicContact CG-CD1 4.13Å; T340-L344 HydrophobicContact CG2-CD1 3.92Å; T340-L344 HydrophobicContact CG2-CG 4.33Å; T340-L344 WeakPolarHBondContact O-CG 3.18Å; T340-L344 PolarHBondContact O-N 2.69Å; T341-L344 PolarHBondContact O-N 2.92Å; L344-V346 PolarHBondContact O-N 2.87Å; L344-M347 HydrophobicContact CD2-SD 4.05Å; L344-M347 WeakPolarHBondContact O-CB 3.49Å; L344-M347 PolarHBondContact O-N 2.97Å; L344-F348 PolarHBondContact O-N 3.39Å
345N89.4Confident84Confident5 Ų515.3 Ų15.33%0.0279%0.092CC..Hα-helixtrans-62.5-39.9175.7-79.9-9.2000112.9T341 A342 Y343 F348 I349 N377 A381T341-N345 WeakPolarHBondContact O-CB 3.29Å; T341-N345 PolarHBondContact O-N 3.08Å; A342-N345 WeakPolarHBondContact O-CB 3.49Å; A342-N345 PolarHBondContact O-N 3.05Å; Y343-N345 VanDerWaalsContact C-N 3.28Å; Y343-N345 PolarHBondContact O-N 2.77Å; N345-F348 PolarHBondContact O-N 3.05Å; N345-I349 PolarHBondContact O-N 3.37Å; N345-N377 HydrophobicContact CB-CB 3.82Å; N345-A381 HydrophobicContact CB-CB 3.83Å
346V86.6Confident83.5Confident0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-71.3-33.3174.4176.70000111.7V222 I225 L226 A342 Y343 L344 F348 I349 A381 F385V222-V346 HydrophobicContact CG1-CG1 4.21Å; I225-V346 HydrophobicContact CB-CG1 4.27Å; I225-V346 HydrophobicContact CD1-CG1 4.45Å; I225-V346 HydrophobicContact CD1-CG2 4.27Å; I225-V346 HydrophobicContact CG2-CB 4.46Å; I225-V346 HydrophobicContact CG2-CG1 4.03Å; L226-V346 HydrophobicContact CD2-CG1 4.16Å; L226-V346 HydrophobicContact CG-CG1 4.14Å; A342-V346 PolarHBondContact O-N 3.1Å; A342-V346 VanDerWaalsContact O-N 3.11Å; Y343-V346 PolarHBondContact O-N 3.22Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; L344-V346 PolarHBondContact O-N 2.87Å; V346-F348 VanDerWaalsContact C-N 3.31Å; V346-F348 PolarHBondContact O-N 3.24Å; V346-I349 WeakPolarHBondContact O-CG2 3.21Å; V346-A381 HydrophobicContact CG2-CB 3.76Å; V346-F385 HydrophobicContact CG2-CD2 4.14Å; V346-F385 HydrophobicContact CG2-CE2 3.61Å
347M81Confident82.5Confident23 Ų2317 Ų1711%0.1139%0.094CC..Hα-helixtrans-64.4-39.2172.8-65.5171-174.700111.5F192 L226 L232 Y343 L344 I349 G350 A351F192-M347 HydrophobicContact CE1-CE 3.87Å; F192-M347 HydrophobicContact CE1-SD 4.32Å; F192-M347 HydrophobicContact CE2-CE 4.28Å; F192-M347 HydrophobicContact CE2-CG 4.23Å; F192-M347 HydrophobicContact CE2-SD 3.66Å; F192-M347 HydrophobicContact CZ-CE 3.55Å; F192-M347 HydrophobicContact CZ-CG 3.78Å; F192-M347 HydrophobicContact CZ-SD 3.44Å; F192-M347 WeakPolarHBondContact CZ-SD 3.31Å; L226-M347 HydrophobicContact CD2-CG 3.91Å; L232-M347 HydrophobicContact CD2-CE 3.48Å; L232-M347 VanDerWaalsContact CD2-CE 3.48Å; Y343-M347 VanDerWaalsContact O-CG 3.29Å; Y343-M347 WeakPolarHBondContact O-CG 3.35Å; Y343-M347 PolarHBondContact O-N 2.75Å; L344-M347 HydrophobicContact CD2-SD 4.05Å; L344-M347 WeakPolarHBondContact O-CB 3.49Å; L344-M347 PolarHBondContact O-N 2.97Å; M347-I349 PolarHBondContact O-N 3.18Å; M347-G350 PolarHBondContact O-N 3.42Å; M347-A351 PolarHBondContact O-N 3.03Å
348F84.9Confident81.2Confident14 Ų1417.4 Ų17.46%0.06110%0.096CC..Hα-helixtrans-62.8-40.1-179-172.4-121.3000113.4M294 C295 L344 N345 V346 G350 A351 V352 F370 A374 N377M294-F348 HydrophobicContact CE-CD2 3.71Å; M294-F348 HydrophobicContact CE-CE2 4.23Å; M294-F348 HydrophobicContact CE-CG 4.33Å; M294-F348 HydrophobicContact CG-CB 3.56Å; M294-F348 HydrophobicContact CG-CD1 4.07Å; M294-F348 HydrophobicContact CG-CD2 3.93Å; M294-F348 HydrophobicContact CG-CG 3.58Å; M294-F348 HydrophobicContact SD-CB 3.6Å; M294-F348 VanDerWaalsContact SD-CB 3.6Å; M294-F348 HydrophobicContact SD-CD2 3.85Å; M294-F348 HydrophobicContact SD-CG 3.89Å; C295-F348 HydrophobicContact CB-CE1 4.49Å; C295-F348 HydrophobicContact CB-CE2 4.04Å; C295-F348 HydrophobicContact CB-CZ 3.82Å; L344-F348 PolarHBondContact O-N 3.39Å; N345-F348 PolarHBondContact O-N 3.05Å; V346-F348 VanDerWaalsContact C-N 3.31Å; V346-F348 PolarHBondContact O-N 3.24Å; F348-G350 PolarHBondContact O-N 3.31Å; F348-A351 PolarHBondContact O-N 2.98Å; F348-V352 PolarHBondContact O-N 3.4Å; F348-F370 HydrophobicContact CE1-CE1 4.37Å; F348-F370 AromaticContact CE2-CE1 3.69Å; F348-F370 HydrophobicContact CE2-CE1 3.69Å; F348-F370 AromaticContact CE2-CZ 3.87Å; F348-F370 HydrophobicContact CE2-CZ 3.87Å; F348-F370 HydrophobicContact CZ-CD1 4.03Å; F348-F370 AromaticContact CZ-CE1 3.32Å; F348-F370 HydrophobicContact CZ-CE1 3.32Å; F348-F370 HydrophobicContact CZ-CE2 4.49Å; F348-F370 AromaticContact CZ-CZ 3.6Å; F348-F370 HydrophobicContact CZ-CZ 3.6Å; F348-A374 HydrophobicContact CD1-CB 3.71Å; F348-A374 HydrophobicContact CE1-CB 3.63Å; F348-N377 VanDerWaalsContact CD1-ND2 3.29Å; F348-N377 WeakPolarHBondContact CD1-ND2 2.79Å
349I85.5Confident80.3Confident0 Ų018.1 Ų18.10%010%0.099CC..Hα-helixtrans-60.9-37.5177.6-170.774.2000110.8L203 V217 V222 N345 V346 M347 A351 V352 A374 V375 Y378L203-I349 HydrophobicContact CD1-CG1 3.96Å; L203-I349 WeakPolarHBondContact CD1-O 3.36Å; L203-I349 HydrophobicContact CD2-CG1 4.49Å; V217-I349 HydrophobicContact CG1-CG1 4.1Å; V217-I349 HydrophobicContact CG2-CD1 3.9Å; V217-I349 HydrophobicContact CG2-CG1 4.16Å; V222-I349 HydrophobicContact CG1-CG2 4.35Å; V222-I349 HydrophobicContact CG2-CG2 4.05Å; N345-I349 PolarHBondContact O-N 3.37Å; V346-I349 WeakPolarHBondContact O-CG2 3.21Å; M347-I349 PolarHBondContact O-N 3.18Å; I349-A351 VanDerWaalsContact C-N 3.3Å; I349-A351 PolarHBondContact O-N 2.58Å; I349-V352 WeakPolarHBondContact O-CG1 3.39Å; I349-V352 PolarHBondContact O-N 2.83Å; I349-A374 HydrophobicContact CD1-CB 3.74Å; I349-V375 HydrophobicContact CD1-CG2 4.14Å; I349-Y378 HydrophobicContact CG2-CD2 4.09Å
350G74.5Confident79.6Confident1 Ų115.3 Ų15.31%0.019%0.087CC..Hα-helixtrans-65.1-29.7174.300000113.9F199 M347 F348F199-G350 CarbonylContact C-O 3.26Å; M347-G350 PolarHBondContact O-N 3.42Å; F348-G350 PolarHBondContact O-N 3.31Å
351A74.5Confident78.6Confident28 Ų2820.1 Ų20.123%0.23111%0.113CC..Hα-helixtrans-90.3-2.7-178.300000114.3F199 M347 F348 I349 G353 P354 A355F199-A351 HydrophobicContact CD1-CB 4.41Å; M347-A351 PolarHBondContact O-N 3.03Å; F348-A351 PolarHBondContact O-N 2.98Å; I349-A351 VanDerWaalsContact C-N 3.3Å; I349-A351 PolarHBondContact O-N 2.58Å; A351-G353 PolarHBondContact O-N 2.79Å; A351-P354 WeakPolarHBondContact O-CD 3.39Å; A351-A355 WeakPolarHBondContact O-CB 3.21Å; A351-A355 PolarHBondContact O-N 3.24Å
352V79.5Confident77.4Confident1 Ų123.5 Ų23.51%0.00615%0.149CC..Hα-helixtrans-62.9-38.2-170.9770000113.3A206 M214 F348 I349 A355 I356 F370 V371 A374A206-V352 HydrophobicContact CB-CG1 3.93Å; M214-V352 HydrophobicContact CE-CG1 3.49Å; M214-V352 VanDerWaalsContact CE-CG1 3.49Å; M214-V352 HydrophobicContact CE-CG2 4.37Å; F348-V352 PolarHBondContact O-N 3.4Å; I349-V352 WeakPolarHBondContact O-CG1 3.39Å; I349-V352 PolarHBondContact O-N 2.83Å; V352-A355 PolarHBondContact O-N 3.31Å; V352-I356 HydrophobicContact CG2-CD1 4.16Å; V352-I356 VanDerWaalsContact O-CG1 3.32Å; V352-I356 WeakPolarHBondContact O-CG1 2.95Å; V352-I356 PolarHBondContact O-N 2.96Å; V352-F370 HydrophobicContact CG2-CD1 3.99Å; V352-V371 HydrophobicContact CG2-CG2 4.44Å; V352-A374 HydrophobicContact CB-CB 4.12Å; V352-A374 HydrophobicContact CG2-CB 3.65Å
353G73.2Confident76.9Confident11 Ų1127.3 Ų27.311%0.11317%0.169CC..Hα-helixtrans-60.2-58.3-17800000112.8A351 A355 I356 N357A351-G353 PolarHBondContact O-N 2.79Å; G353-A355 VanDerWaalsContact C-N 3.29Å; G353-A355 PolarHBondContact O-N 3.49Å; G353-I356 PolarHBondContact O-N 3.16Å; G353-N357 PolarHBondContact O-N 3.36Å
354P69.3Low76.3Confident17 Ų1734.8 Ų34.811%0.1120%0.204CC..Hα-helixtrans-54-43.3172.5-28.635.7000113.2L85 A351 I356 N357 T358L85-P354 WeakPolarHBondContact O-CB 3.43Å; A351-P354 WeakPolarHBondContact O-CD 3.39Å; P354-I356 VanDerWaalsContact C-N 3.35Å; P354-I356 PolarHBondContact O-N 2.97Å; P354-N357 PolarHBondContact O-N 3.21Å; P354-T358 PolarHBondContact O-N 2.97Å; P354-T358 PolarHBondContact O-OG1 2.88Å
355A72.7Confident75.8Confident12 Ų1240.4 Ų40.410%0.09923%0.232CC..Hα-helixtrans-61.1-40.1-177.800000112.9A351 V352 G353 N357 T358 F359 F370A351-A355 WeakPolarHBondContact O-CB 3.21Å; A351-A355 PolarHBondContact O-N 3.24Å; V352-A355 PolarHBondContact O-N 3.31Å; G353-A355 VanDerWaalsContact C-N 3.29Å; G353-A355 PolarHBondContact O-N 3.49Å; A355-N357 PolarHBondContact O-N 3.15Å; A355-T358 WeakPolarHBondContact O-CB 3.14Å; A355-T358 PolarHBondContact O-N 2.81Å; A355-T358 VanDerWaalsContact O-N 3.12Å; A355-F359 HydrophobicContact CB-CD2 3.96Å; A355-F359 HydrophobicContact CB-CE2 4.1Å; A355-F359 VanDerWaalsContact O-CD2 3.25Å; A355-F359 WeakPolarHBondContact O-CD2 3.42Å; A355-F359 PolarHBondContact O-N 3.41Å; A355-F370 HydrophobicContact CB-CD1 4.18Å; A355-F370 HydrophobicContact CB-CE1 3.38Å; A355-F370 HydrophobicContact CB-CZ 3.85Å
356I75.1Confident75.3Confident9 Ų941 Ų415%0.04624%0.235CC..Iπ-helixtrans-60.5-47.7177-70.4165.2000111.4F210 V352 G353 P354 T358 C360 A367 F370 V371F210-I356 HydrophobicContact CD2-CD1 4.15Å; F210-I356 HydrophobicContact CE2-CD1 3.5Å; F210-I356 HydrophobicContact CZ-CD1 4.1Å; F210-I356 HydrophobicContact CZ-CG2 4.42Å; V352-I356 HydrophobicContact CG2-CD1 4.16Å; V352-I356 VanDerWaalsContact O-CG1 3.32Å; V352-I356 WeakPolarHBondContact O-CG1 2.95Å; V352-I356 PolarHBondContact O-N 2.96Å; G353-I356 PolarHBondContact O-N 3.16Å; P354-I356 VanDerWaalsContact C-N 3.35Å; P354-I356 PolarHBondContact O-N 2.97Å; I356-T358 PolarHBondContact O-N 3.19Å; I356-T358 VanDerWaalsContact O-N 3.08Å; I356-C360 HydrophobicContact CG2-CB 4.42Å; I356-C360 WeakPolarHBondContact O-CB 2.8Å; I356-C360 PolarHBondContact O-N 2.91Å; I356-A367 HydrophobicContact CG2-CB 3.68Å; I356-F370 HydrophobicContact CG1-CB 4.49Å; I356-F370 HydrophobicContact CG1-CD1 4.48Å; I356-V371 HydrophobicContact CD1-CG2 3.35Å; I356-V371 HydrophobicContact CG1-CG2 4.42Å
357N69.4Low75.1Confident99 Ų9941.4 Ų41.453%0.52924%0.238SC..Iπ-helixtrans-61.5-21.5179.2-71.6-25.1000112.8G353 P354 A355G353-N357 PolarHBondContact O-N 3.36Å; P354-N357 PolarHBondContact O-N 3.21Å; A355-N357 PolarHBondContact O-N 3.15Å
358T66.6Low75.1Confident9 Ų945 Ų456%0.05525%0.253CS..Iπ-helixtrans-94.5-57.5-173.7-43.30000112.9L85 P354 A355 I356L85-T358 HydrophobicContact CD2-CG2 3.59Å; L85-T358 WeakPolarHBondContact CD2-OG1 3.15Å; P354-T358 PolarHBondContact O-N 2.97Å; P354-T358 PolarHBondContact O-OG1 2.88Å; A355-T358 WeakPolarHBondContact O-CB 3.14Å; A355-T358 PolarHBondContact O-N 2.81Å; A355-T358 VanDerWaalsContact O-N 3.12Å; I356-T358 PolarHBondContact O-N 3.19Å; I356-T358 VanDerWaalsContact O-N 3.08Å
359F70.4Confident74.8Confident62 Ų6246 Ų4627%0.27226%0.259SS..Iπ-helixtrans-94.2-22.6-165.6-57.5-61.5000111.2Q42 W253 Y255 A355 L366 F370Q42-F359 WeakPolarHBondContact O-CE1 3.49Å; W253-F359 AromaticContact CH2-CD1 3.97Å; W253-F359 HydrophobicContact CH2-CD1 3.97Å; W253-F359 HydrophobicContact CH2-CD2 4.43Å; W253-F359 AromaticContact CH2-CE1 3.74Å; W253-F359 HydrophobicContact CH2-CE1 3.74Å; W253-F359 HydrophobicContact CH2-CE2 4.23Å; W253-F359 HydrophobicContact CH2-CG 4.31Å; W253-F359 AromaticContact CH2-CZ 3.88Å; W253-F359 HydrophobicContact CH2-CZ 3.88Å; W253-F359 AromaticContact CZ2-CE1 3.94Å; W253-F359 HydrophobicContact CZ2-CE1 3.94Å; W253-F359 AromaticContact CZ2-CZ 3.96Å; W253-F359 HydrophobicContact CZ2-CZ 3.96Å; Y255-F359 HydrophobicContact CD2-CD1 4.37Å; Y255-F359 HydrophobicContact CE2-CD1 4.35Å; A355-F359 HydrophobicContact CB-CD2 3.96Å; A355-F359 HydrophobicContact CB-CE2 4.1Å; A355-F359 VanDerWaalsContact O-CD2 3.25Å; A355-F359 WeakPolarHBondContact O-CD2 3.42Å; A355-F359 PolarHBondContact O-N 3.41Å; F359-L366 WeakPolarHBondContact O-CD2 3.26Å; F359-F370 HydrophobicContact CD2-CZ 4.4Å
360C73.2Confident74.7Confident5 Ų546.2 Ų46.23%0.03426%0.26CS..Iπ-helixtrans-87.6-23.3-178.1-520000112.6I356 G362 N363 L366 A367I356-C360 HydrophobicContact CG2-CB 4.42Å; I356-C360 WeakPolarHBondContact O-CB 2.8Å; I356-C360 PolarHBondContact O-N 2.91Å; C360-G362 PolarHBondContact O-N 3.46Å; C360-N363 WeakPolarHBondContact O-CA 3.28Å; C360-N363 WeakPolarHBondContact O-CB 3.08Å; C360-N363 PolarHBondContact O-N 3.43Å; C360-L366 HydrophobicContact CB-CB 4.28Å; C360-L366 HydrophobicContact CB-CD2 4.14Å; C360-A367 HydrophobicContact CB-CB 3.96Å; C360-A367 WeakPolarHBondContact SG-CA 3.45Å; C360-A367 PolarHBondContact SG-N 2.87Å
361N68.2Low75.2Confident100 Ų10046.1 Ų46.154%0.53526%0.259SS..THydrogen-bonded Turntrans50.434.9171.3-120.3-4.3000114.2
362G67.3Low75.7Confident76 Ų7648.8 Ų48.878%0.78427%0.267SS*.THydrogen-bonded Turntrans84.8-0.3-175.800000115.6C360 E364C360-G362 PolarHBondContact O-N 3.46Å; G362-E364 PolarHBondContact O-N 3.15Å; G362-E364 VanDerWaalsContact O-N 3.13Å
363N76.4Confident76Confident80 Ų8049.2 Ų49.243%0.42827%0.268SS..  trans-75.396.3171.5-172.4-29.1000110C360 M365 L366 A367C360-N363 WeakPolarHBondContact O-CA 3.28Å; C360-N363 WeakPolarHBondContact O-CB 3.08Å; C360-N363 PolarHBondContact O-N 3.43Å; N363-M365 VanDerWaalsContact C-N 3.25Å; N363-M365 PolarHBondContact O-N 2.66Å; N363-M365 WeakPolarHBondContact OD1-CB 3.36Å; N363-M365 PolarHBondContact OD1-N 3.11Å; N363-M365 VanDerWaalsContact OD1-N 3.14Å; N363-L366 HydrophobicContact CB-CB 3.99Å; N363-L366 PolarHBondContact O-N 2.82Å; N363-L366 PolarHBondContact OD1-N 3.15Å; N363-A367 PolarHBondContact O-N 3.17Å
364E76.5Confident76.7Confident168 Ų16848.7 Ų48.779%0.78526%0.263SS*.Hα-helixtrans-57.8-35.4179.5-72.4-175.5163.900113.2G362 A367 K368G362-E364 PolarHBondContact O-N 3.15Å; G362-E364 VanDerWaalsContact O-N 3.13Å; E364-A367 PolarHBondContact O-N 3.42Å; E364-K368 WeakPolarHBondContact O-CB 3.37Å; E364-K368 PolarHBondContact O-N 2.99Å
365M78.6Confident77.6Confident129 Ų12948.3 Ų48.364%0.63526%0.26SS*.Hα-helixtrans-65.2-46.4177.4-176.8-167-7300110.6N363 A367 K368 I369N363-M365 VanDerWaalsContact C-N 3.25Å; N363-M365 PolarHBondContact O-N 2.66Å; N363-M365 WeakPolarHBondContact OD1-CB 3.36Å; N363-M365 PolarHBondContact OD1-N 3.11Å; N363-M365 VanDerWaalsContact OD1-N 3.14Å; M365-A367 VanDerWaalsContact C-N 3.34Å; M365-A367 PolarHBondContact O-N 3.1Å; M365-K368 PolarHBondContact O-N 2.78Å; M365-I369 HydrophobicContact CG-CD1 4.1Å; M365-I369 VanDerWaalsContact O-CG1 3.31Å; M365-I369 WeakPolarHBondContact O-CG1 3.26Å; M365-I369 PolarHBondContact O-N 3.01Å
366L78.5Confident78.3Confident18 Ų1850.9 Ų50.99%0.09427%0.27CS..Hα-helixtrans-63.3-42177.1-158.589.5000111I149 F359 C360 N363 K368 I369 F370I149-L366 HydrophobicContact CD1-CD1 4.06Å; I149-L366 HydrophobicContact CG1-CD1 3.8Å; F359-L366 WeakPolarHBondContact O-CD2 3.26Å; C360-L366 HydrophobicContact CB-CB 4.28Å; C360-L366 HydrophobicContact CB-CD2 4.14Å; N363-L366 HydrophobicContact CB-CB 3.99Å; N363-L366 PolarHBondContact O-N 2.82Å; N363-L366 PolarHBondContact OD1-N 3.15Å; L366-K368 PolarHBondContact O-N 2.75Å; L366-I369 PolarHBondContact O-N 2.65Å; L366-F370 WeakPolarHBondContact O-CB 3.47Å; L366-F370 PolarHBondContact O-N 3.46Å
367A81.5Confident78.9Confident7 Ų750.5 Ų50.56%0.05827%0.268CS..Hα-helixtrans-59.8-46.3176.900000111.8F210 I356 C360 N363 E364 M365 I369 F370 V371F210-A367 HydrophobicContact CZ-CB 4.2Å; I356-A367 HydrophobicContact CG2-CB 3.68Å; C360-A367 HydrophobicContact CB-CB 3.96Å; C360-A367 WeakPolarHBondContact SG-CA 3.45Å; C360-A367 PolarHBondContact SG-N 2.87Å; N363-A367 PolarHBondContact O-N 3.17Å; E364-A367 PolarHBondContact O-N 3.42Å; M365-A367 VanDerWaalsContact C-N 3.34Å; M365-A367 PolarHBondContact O-N 3.1Å; A367-I369 PolarHBondContact O-N 2.91Å; A367-F370 WeakPolarHBondContact O-CB 3.28Å; A367-F370 PolarHBondContact O-N 3.27Å; A367-V371 WeakPolarHBondContact O-CG2 3.45Å; A367-V371 PolarHBondContact O-N 3.08Å
368K81.7Confident79.8Confident99 Ų9946.1 Ų46.143%0.4324%0.244SC..Hα-helixtrans-61.2-44.7177.3-175.6174.3172.8177.90111.7Q213 E364 M365 L366 F370 V371 E372Q213-K368 HydrophobicContact CG-CG 4.42Å; E364-K368 WeakPolarHBondContact O-CB 3.37Å; E364-K368 PolarHBondContact O-N 2.99Å; M365-K368 PolarHBondContact O-N 2.78Å; L366-K368 PolarHBondContact O-N 2.75Å; K368-F370 VanDerWaalsContact C-N 3.3Å; K368-F370 PolarHBondContact O-N 2.84Å; K368-V371 PolarHBondContact O-N 3.25Å; K368-E372 WeakPolarHBondContact CE-OE1 3.42Å; K368-E372 WeakPolarHBondContact CG-OE1 3.48Å; K368-E372 WeakPolarHBondContact O-CB 3.45Å; K368-E372 VanDerWaalsContact O-CG 3.31Å; K368-E372 WeakPolarHBondContact O-CG 3.48Å; K368-E372 PolarHBondContact O-N 3.2Å
369I78.4Confident80.6Confident35 Ų3548.5 Ų48.518%0.17926%0.259CS..Hα-helixtrans-61.6-40.2175.7-67.7165.6000110.9I149 M365 L366 A367 E372 R373I149-I369 HydrophobicContact CG1-CD1 4.05Å; I149-I369 HydrophobicContact CG2-CD1 4.06Å; M365-I369 HydrophobicContact CG-CD1 4.1Å; M365-I369 VanDerWaalsContact O-CG1 3.31Å; M365-I369 WeakPolarHBondContact O-CG1 3.26Å; M365-I369 PolarHBondContact O-N 3.01Å; L366-I369 PolarHBondContact O-N 2.65Å; A367-I369 PolarHBondContact O-N 2.91Å; I369-E372 PolarHBondContact O-N 3.32Å; I369-R373 WeakPolarHBondContact O-CG 3.48Å; I369-R373 PolarHBondContact O-N 2.83Å
370F82.4Confident81.2Confident4 Ų447 Ų472%0.01825%0.254CS..Hα-helixtrans-64.3-43.6178.8-146.7-90.5000111.7L148 C295 F348 V352 A355 I356 F359 L366 A367 K368 R373 A374L148-F370 HydrophobicContact CD2-CD2 3.63Å; L148-F370 HydrophobicContact CD2-CE2 3.68Å; C295-F370 WeakPolarHBondContact SG-CE2 3.28Å; C295-F370 VanDerWaalsContact SG-CZ 3.54Å; F348-F370 HydrophobicContact CE1-CE1 4.37Å; F348-F370 AromaticContact CE2-CE1 3.69Å; F348-F370 HydrophobicContact CE2-CE1 3.69Å; F348-F370 AromaticContact CE2-CZ 3.87Å; F348-F370 HydrophobicContact CE2-CZ 3.87Å; F348-F370 HydrophobicContact CZ-CD1 4.03Å; F348-F370 AromaticContact CZ-CE1 3.32Å; F348-F370 HydrophobicContact CZ-CE1 3.32Å; F348-F370 HydrophobicContact CZ-CE2 4.49Å; F348-F370 AromaticContact CZ-CZ 3.6Å; F348-F370 HydrophobicContact CZ-CZ 3.6Å; V352-F370 HydrophobicContact CG2-CD1 3.99Å; A355-F370 HydrophobicContact CB-CD1 4.18Å; A355-F370 HydrophobicContact CB-CE1 3.38Å; A355-F370 HydrophobicContact CB-CZ 3.85Å; I356-F370 HydrophobicContact CG1-CB 4.49Å; I356-F370 HydrophobicContact CG1-CD1 4.48Å; F359-F370 HydrophobicContact CD2-CZ 4.4Å; L366-F370 WeakPolarHBondContact O-CB 3.47Å; L366-F370 PolarHBondContact O-N 3.46Å; A367-F370 WeakPolarHBondContact O-CB 3.28Å; A367-F370 PolarHBondContact O-N 3.27Å; K368-F370 VanDerWaalsContact C-N 3.3Å; K368-F370 PolarHBondContact O-N 2.84Å; F370-R373 PolarHBondContact O-N 3.14Å; F370-A374 WeakPolarHBondContact O-CB 3.49Å; F370-A374 PolarHBondContact O-N 3.15Å
371V86.1Confident81.7Confident0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-62-49.6174172.60000111F210 Q213 M214 V352 I356 A367 K368 R373 A374 V375F210-V371 HydrophobicContact CB-CG1 4.06Å; F210-V371 HydrophobicContact CB-CG2 4.32Å; F210-V371 HydrophobicContact CD1-CG2 4.18Å; F210-V371 HydrophobicContact CD2-CG2 3.65Å; F210-V371 HydrophobicContact CE1-CG2 4.41Å; F210-V371 HydrophobicContact CE2-CG2 3.93Å; F210-V371 HydrophobicContact CG-CG1 4.39Å; F210-V371 HydrophobicContact CG-CG2 3.79Å; F210-V371 HydrophobicContact CZ-CG2 4.3Å; Q213-V371 HydrophobicContact CB-CG1 3.59Å; Q213-V371 HydrophobicContact CG-CG1 4.44Å; M214-V371 HydrophobicContact CE-CB 4.26Å; M214-V371 HydrophobicContact CE-CG1 3.55Å; M214-V371 HydrophobicContact CE-CG2 3.89Å; M214-V371 HydrophobicContact CG-CG1 3.73Å; V352-V371 HydrophobicContact CG2-CG2 4.44Å; I356-V371 HydrophobicContact CD1-CG2 3.35Å; I356-V371 HydrophobicContact CG1-CG2 4.42Å; A367-V371 WeakPolarHBondContact O-CG2 3.45Å; A367-V371 PolarHBondContact O-N 3.08Å; K368-V371 PolarHBondContact O-N 3.25Å; V371-R373 VanDerWaalsContact C-N 3.3Å; V371-R373 PolarHBondContact O-N 3.42Å; V371-A374 PolarHBondContact O-N 3.28Å; V371-A374 VanDerWaalsContact O-N 3.12Å; V371-V375 HydrophobicContact CG1-CG2 4.21Å; V371-V375 VanDerWaalsContact O-CG2 3.29Å; V371-V375 WeakPolarHBondContact O-CG2 3.35Å; V371-V375 PolarHBondContact O-N 2.89Å
372E84.3Confident82.1Confident83 Ų8342.9 Ų42.939%0.38823%0.231SC..Hα-helixtrans-58.3-42.9179-74.7170.7-177.300111.1K368 I369 A374 V375 E376K368-E372 WeakPolarHBondContact CE-OE1 3.42Å; K368-E372 WeakPolarHBondContact CG-OE1 3.48Å; K368-E372 WeakPolarHBondContact O-CB 3.45Å; K368-E372 VanDerWaalsContact O-CG 3.31Å; K368-E372 WeakPolarHBondContact O-CG 3.48Å; K368-E372 PolarHBondContact O-N 3.2Å; I369-E372 PolarHBondContact O-N 3.32Å; E372-A374 PolarHBondContact O-N 2.96Å; E372-V375 PolarHBondContact O-N 3.42Å; E372-E376 WeakPolarHBondContact O-CB 3.49Å; E372-E376 VanDerWaalsContact O-CG 3.23Å; E372-E376 WeakPolarHBondContact O-CG 3.18Å; E372-E376 PolarHBondContact O-N 2.87Å
373R85.7Confident82.2Confident10 Ų1042.4 Ų42.44%0.03822%0.216CC..Hα-helixtrans-60.9-45.8174.1-76.1-171.7179.5-162.90.3112.5L148 I149 C295 T296 I369 F370 V371 V375 E376 N377L148-R373 PolarHBondContact O-NH1 2.75Å; L148-R373 VanDerWaalsContact O-NH1 3.11Å; L148-R373 PolarHBondContact O-NH2 3.08Å; I149-R373 PolarHBondContact O-NH2 3.45Å; C295-R373 PolarHBondContact O-NH1 3.19Å; T296-R373 PolarHBondContact O-NH1 3.46Å; I369-R373 WeakPolarHBondContact O-CG 3.48Å; I369-R373 PolarHBondContact O-N 2.83Å; F370-R373 PolarHBondContact O-N 3.14Å; V371-R373 VanDerWaalsContact C-N 3.3Å; V371-R373 PolarHBondContact O-N 3.42Å; R373-V375 VanDerWaalsContact C-N 3.3Å; R373-V375 PolarHBondContact O-N 3.02Å; R373-E376 PolarHBondContact O-N 3.42Å; R373-N377 WeakPolarHBondContact O-CB 3.39Å; R373-N377 PolarHBondContact O-N 3.3Å; R373-N377 PolarHBondContact O-OD1 3.2Å; R373-N377 VanDerWaalsContact O-OD1 3.09Å
374A87.9Confident81.8Confident0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-64.4-37.6-179.700000112.1F348 I349 V352 F370 V371 E372 N377 Y378F348-A374 HydrophobicContact CD1-CB 3.71Å; F348-A374 HydrophobicContact CE1-CB 3.63Å; I349-A374 HydrophobicContact CD1-CB 3.74Å; V352-A374 HydrophobicContact CB-CB 4.12Å; V352-A374 HydrophobicContact CG2-CB 3.65Å; F370-A374 WeakPolarHBondContact O-CB 3.49Å; F370-A374 PolarHBondContact O-N 3.15Å; V371-A374 PolarHBondContact O-N 3.28Å; V371-A374 VanDerWaalsContact O-N 3.12Å; E372-A374 PolarHBondContact O-N 2.96Å; A374-N377 WeakPolarHBondContact O-CB 3.37Å; A374-Y378 PolarHBondContact O-N 3.09Å
375V88.2Confident81.4Confident9 Ų935.8 Ų35.86%0.05518%0.182CC..Hα-helixtrans-69.1-45.4176174.30000111Q213 M214 A216 V217 I349 V371 E372 R373 N377 Y378 V379Q213-V375 WeakPolarHBondContact O-CG2 3.45Å; M214-V375 HydrophobicContact CB-CG2 4.41Å; M214-V375 HydrophobicContact CG-CG2 3.92Å; A216-V375 HydrophobicContact CB-CG1 4.15Å; V217-V375 HydrophobicContact CG2-CG1 4.41Å; V217-V375 HydrophobicContact CG2-CG2 3.92Å; I349-V375 HydrophobicContact CD1-CG2 4.14Å; V371-V375 HydrophobicContact CG1-CG2 4.21Å; V371-V375 VanDerWaalsContact O-CG2 3.29Å; V371-V375 WeakPolarHBondContact O-CG2 3.35Å; V371-V375 PolarHBondContact O-N 2.89Å; E372-V375 PolarHBondContact O-N 3.42Å; R373-V375 VanDerWaalsContact C-N 3.3Å; R373-V375 PolarHBondContact O-N 3.02Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 3.19Å; V375-Y378 WeakPolarHBondContact O-CB 3.42Å; V375-Y378 PolarHBondContact O-N 3.36Å; V375-Y378 VanDerWaalsContact O-N 3.13Å; V375-V379 HydrophobicContact CG1-CG2 4.43Å; V375-V379 WeakPolarHBondContact O-CG2 3.28Å; V375-V379 PolarHBondContact O-N 2.78Å
376E88.5Confident80.2Confident67 Ų6731.7 Ų31.731%0.31316%0.161SC..Hα-helixtrans-64-34.2176.7-68-71.3131.500112P299 R303 E372 R373 D380P299-E376 HydrophobicContact CB-CB 3.87Å; P299-E376 HydrophobicContact CB-CG 4.18Å; P299-E376 HydrophobicContact CG-CB 3.61Å; P299-E376 HydrophobicContact CG-CG 3.9Å; R303-E376 IonicContact CZ-OE2 2.57Å; R303-E376 IonicContact NH1-OE2 2.69Å; R303-E376 PolarHBondContact NH1-OE2 3.43Å; R303-E376 IonicContact NH2-OE2 2.85Å; R303-E376 PolarHBondContact NH2-OE2 3.36Å; E372-E376 WeakPolarHBondContact O-CB 3.49Å; E372-E376 VanDerWaalsContact O-CG 3.23Å; E372-E376 WeakPolarHBondContact O-CG 3.18Å; E372-E376 PolarHBondContact O-N 2.87Å; R373-E376 PolarHBondContact O-N 3.42Å; E376-D380 WeakPolarHBondContact O-CB 3.33Å; E376-D380 PolarHBondContact O-N 2.82Å
377N87.7Confident79Confident0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-61.6-46.7170.8-72.20.6000111.8M294 R302 N345 F348 R373 A374 V375 D380 A381M294-N377 PolarHBondContact O-ND2 3.26Å; R302-N377 PolarHBondContact NH1-OD1 2.79Å; R302-N377 PolarHBondContact NH2-OD1 3.21Å; N345-N377 HydrophobicContact CB-CB 3.82Å; F348-N377 VanDerWaalsContact CD1-ND2 3.29Å; F348-N377 WeakPolarHBondContact CD1-ND2 2.79Å; R373-N377 WeakPolarHBondContact O-CB 3.39Å; R373-N377 PolarHBondContact O-N 3.3Å; R373-N377 PolarHBondContact O-OD1 3.2Å; R373-N377 VanDerWaalsContact O-OD1 3.09Å; A374-N377 WeakPolarHBondContact O-CB 3.37Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 3.19Å; N377-D380 PolarHBondContact O-N 3.25Å; N377-A381 VanDerWaalsContact O-CB 3.26Å; N377-A381 WeakPolarHBondContact O-CB 3.36Å; N377-A381 PolarHBondContact O-N 2.87Å
378Y87.3Confident77.6Confident7 Ų736.5 Ų36.53%0.02719%0.185CC..Hα-helixtrans-60.9-46.9177.2168.7-94.3000111.1A216 V217 D218 V222 I349 A374 V375 D380 A381 I382A216-Y378 VanDerWaalsContact O-CE1 3.26Å; A216-Y378 WeakPolarHBondContact O-CE1 3.47Å; V217-Y378 HydrophobicContact CB-CD1 4.49Å; V217-Y378 HydrophobicContact CB-CE1 4.45Å; V217-Y378 HydrophobicContact CG2-CD1 4.09Å; V217-Y378 HydrophobicContact CG2-CG 4.43Å; D218-Y378 WeakPolarHBondContact CB-OH 3.32Å; D218-Y378 PolarHBondContact N-OH 2.71Å; D218-Y378 VanDerWaalsContact N-OH 3.08Å; V222-Y378 HydrophobicContact CG2-CD2 3.8Å; V222-Y378 HydrophobicContact CG2-CE2 3.36Å; I349-Y378 HydrophobicContact CG2-CD2 4.09Å; A374-Y378 PolarHBondContact O-N 3.09Å; V375-Y378 WeakPolarHBondContact O-CB 3.42Å; V375-Y378 PolarHBondContact O-N 3.36Å; V375-Y378 VanDerWaalsContact O-N 3.13Å; Y378-D380 PolarHBondContact O-N 3.31Å; Y378-A381 PolarHBondContact O-N 3.05Å; Y378-I382 HydrophobicContact CD1-CG1 4.21Å; Y378-I382 HydrophobicContact CD2-CD1 4.31Å; Y378-I382 HydrophobicContact CD2-CG1 3.86Å; Y378-I382 HydrophobicContact CE1-CG1 3.77Å; Y378-I382 HydrophobicContact CE2-CD1 3.55Å; Y378-I382 HydrophobicContact CE2-CG1 3.42Å; Y378-I382 VanDerWaalsContact CE2-CG1 3.42Å; Y378-I382 HydrophobicContact CG-CG1 4.25Å; Y378-I382 WeakPolarHBondContact O-CB 3.45Å; Y378-I382 VanDerWaalsContact O-CG1 3.26Å; Y378-I382 WeakPolarHBondContact O-CG1 3.32Å; Y378-I382 PolarHBondContact O-N 3.02Å
379V83.2Confident76.1Confident59 Ų5937.8 Ų37.836%0.35819%0.187SC..Hα-helixtrans-59.6-46.5177.7171.50000111.2A216 V375 A381 S383A216-V379 HydrophobicContact CB-CG2 4.06Å; V375-V379 HydrophobicContact CG1-CG2 4.43Å; V375-V379 WeakPolarHBondContact O-CG2 3.28Å; V375-V379 PolarHBondContact O-N 2.78Å; V379-A381 VanDerWaalsContact C-N 3.35Å; V379-A381 PolarHBondContact O-N 3.38Å; V379-S383 PolarHBondContact O-N 3.39Å
380D83.3Confident74.9Confident32 Ų3241.3 Ų41.317%0.17120%0.203CC..Hα-helixtrans-61.2-43.6176.5-72.2-14.4000111.4R302 R303 E376 N377 Y378 S383R302-D380 IonicContact CZ-OD2 3.76Å; R302-D380 VanDerWaalsContact CZ-OD2 3.26Å; R302-D380 IonicContact NE-OD2 3.29Å; R302-D380 PolarHBondContact NE-OD2 2.77Å; R302-D380 IonicContact NH2-OD2 2.84Å; R302-D380 PolarHBondContact NH2-OD2 2.87Å; R303-D380 IonicContact CZ-OD1 2.79Å; R303-D380 VanDerWaalsContact CZ-OD1 3.23Å; R303-D380 IonicContact NE-OD1 3.55Å; R303-D380 PolarHBondContact NE-OD1 3.39Å; R303-D380 IonicContact NE-OD2 3.09Å; R303-D380 IonicContact NH2-OD1 2.69Å; R303-D380 PolarHBondContact NH2-OD1 3.12Å; R303-D380 IonicContact NH2-OD2 2.76Å; E376-D380 WeakPolarHBondContact O-CB 3.33Å; E376-D380 PolarHBondContact O-N 2.82Å; N377-D380 PolarHBondContact O-N 3.25Å; Y378-D380 PolarHBondContact O-N 3.31Å; D380-S383 PolarHBondContact O-OG 2.91Å
381A84.4Confident73.8Confident0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-69.7-42-177.300000113.2A342 N345 V346 N377 Y378 V379 S383 Q384 F385A342-A381 HydrophobicContact CB-CB 4.02Å; A342-A381 WeakPolarHBondContact O-CB 3.35Å; N345-A381 HydrophobicContact CB-CB 3.83Å; V346-A381 HydrophobicContact CG2-CB 3.76Å; N377-A381 VanDerWaalsContact O-CB 3.26Å; N377-A381 WeakPolarHBondContact O-CB 3.36Å; N377-A381 PolarHBondContact O-N 2.87Å; Y378-A381 PolarHBondContact O-N 3.05Å; V379-A381 VanDerWaalsContact C-N 3.35Å; V379-A381 PolarHBondContact O-N 3.38Å; A381-S383 PolarHBondContact O-N 3.11Å; A381-Q384 WeakPolarHBondContact O-CB 3.46Å; A381-Q384 PolarHBondContact O-N 2.91Å; A381-F385 HydrophobicContact CB-CD2 4.43Å; A381-F385 HydrophobicContact CB-CE2 4.08Å; A381-F385 WeakPolarHBondContact O-CD2 3.41Å; A381-F385 PolarHBondContact O-N 3.3Å
382I76.2Confident73Confident17 Ų1742.9 Ų42.99%0.08721%0.213CC..Hα-helixtrans-58.9-37.6-180-73.2-68.3000111K221 I225 Y378 Q384 F385 M386K221-I382 HydrophobicContact CB-CD1 4.23Å; K221-I382 HydrophobicContact CD-CD1 4.41Å; I225-I382 HydrophobicContact CD1-CD1 3.65Å; Y378-I382 HydrophobicContact CD1-CG1 4.21Å; Y378-I382 HydrophobicContact CD2-CD1 4.31Å; Y378-I382 HydrophobicContact CD2-CG1 3.86Å; Y378-I382 HydrophobicContact CE1-CG1 3.77Å; Y378-I382 HydrophobicContact CE2-CD1 3.55Å; Y378-I382 HydrophobicContact CE2-CG1 3.42Å; Y378-I382 VanDerWaalsContact CE2-CG1 3.42Å; Y378-I382 HydrophobicContact CG-CG1 4.25Å; Y378-I382 WeakPolarHBondContact O-CB 3.45Å; Y378-I382 VanDerWaalsContact O-CG1 3.26Å; Y378-I382 WeakPolarHBondContact O-CG1 3.32Å; Y378-I382 PolarHBondContact O-N 3.02Å; I382-Q384 PolarHBondContact O-N 3.44Å; I382-F385 PolarHBondContact O-N 3.46Å; I382-M386 HydrophobicContact CG2-CG 3.77Å; I382-M386 HydrophobicContact CG2-SD 3.54Å; I382-M386 VanDerWaalsContact CG2-SD 3.54Å; I382-M386 WeakPolarHBondContact O-CG 3.08Å; I382-M386 PolarHBondContact O-N 3.05Å
383S70.1Confident72.3Confident66 Ų6642 Ų4246%0.46221%0.214SC..Hα-helixtrans-57.1-24.617678.70000114V379 D380 A381V379-S383 PolarHBondContact O-N 3.39Å; D380-S383 PolarHBondContact O-OG 2.91Å; A381-S383 PolarHBondContact O-N 3.11Å
384Q67.7Low71.7Confident59 Ų5943.2 Ų43.228%0.27622%0.222SC..Hα-helixtrans-90.6-28.7176.4-60-171.413.300113.8E338 A342 A381 I382E338-Q384 PolarHBondContact O-OE1 2.75Å; A342-Q384 HydrophobicContact CB-CB 4.28Å; A342-Q384 VanDerWaalsContact CB-OE1 3.28Å; A381-Q384 WeakPolarHBondContact O-CB 3.46Å; A381-Q384 PolarHBondContact O-N 2.91Å; I382-Q384 PolarHBondContact O-N 3.44Å
385F66.7Low71.4Confident51 Ų5144.9 Ų44.922%0.22423%0.232CC..Hα-helixtrans-83.2-25.8178.5-67.1-56.8000113.2I225 A342 Y343 V346 A381 I382 S387I225-F385 HydrophobicContact CD1-CB 4.15Å; I225-F385 HydrophobicContact CD1-CD2 3.64Å; I225-F385 HydrophobicContact CD1-CE2 4.27Å; I225-F385 HydrophobicContact CD1-CG 3.96Å; I225-F385 HydrophobicContact CG1-CD2 4.46Å; I225-F385 HydrophobicContact CG1-CG 4.43Å; I225-F385 HydrophobicContact CG2-CE2 4.26Å; I225-F385 HydrophobicContact CG2-CZ 4.28Å; A342-F385 HydrophobicContact CB-CE1 4.46Å; A342-F385 HydrophobicContact CB-CE2 3.75Å; A342-F385 HydrophobicContact CB-CZ 3.67Å; Y343-F385 HydrophobicContact CD1-CE1 4.17Å; Y343-F385 AromaticContact CD1-CZ 3.85Å; Y343-F385 HydrophobicContact CD1-CZ 3.85Å; Y343-F385 AromaticContact CD2-CE1 3.75Å; Y343-F385 HydrophobicContact CD2-CE1 3.75Å; Y343-F385 AromaticContact CD2-CZ 3.71Å; Y343-F385 HydrophobicContact CD2-CZ 3.71Å; Y343-F385 AromaticContact CE1-CE1 3.84Å; Y343-F385 HydrophobicContact CE1-CE1 3.84Å; Y343-F385 AromaticContact CE1-CZ 3.98Å; Y343-F385 HydrophobicContact CE1-CZ 3.98Å; Y343-F385 AromaticContact CE2-CE1 3.39Å; Y343-F385 HydrophobicContact CE2-CE1 3.39Å; Y343-F385 AromaticContact CE2-CZ 3.85Å; Y343-F385 HydrophobicContact CE2-CZ 3.85Å; Y343-F385 HydrophobicContact CG-CE1 4.13Å; Y343-F385 AromaticContact CG-CZ 3.71Å; Y343-F385 HydrophobicContact CG-CZ 3.71Å; Y343-F385 AromaticContact CZ-CE1 3.41Å; Y343-F385 VanDerWaalsContact CZ-CE1 3.41Å; Y343-F385 AromaticContact CZ-CZ 3.96Å; V346-F385 HydrophobicContact CG2-CD2 4.14Å; V346-F385 HydrophobicContact CG2-CE2 3.61Å; A381-F385 HydrophobicContact CB-CD2 4.43Å; A381-F385 HydrophobicContact CB-CE2 4.08Å; A381-F385 WeakPolarHBondContact O-CD2 3.41Å; A381-F385 PolarHBondContact O-N 3.3Å; I382-F385 PolarHBondContact O-N 3.46Å; F385-S387 PolarHBondContact O-N 3.04Å
386M54.6Low71.1Confident43 Ų4350.1 Ų50.121%0.21226%0.259CS..SBendtrans-62.7124.6176.2-73.1176.98700109.3I382 E390 V391I382-M386 HydrophobicContact CG2-CG 3.77Å; I382-M386 HydrophobicContact CG2-SD 3.54Å; I382-M386 VanDerWaalsContact CG2-SD 3.54Å; I382-M386 WeakPolarHBondContact O-CG 3.08Å; I382-M386 PolarHBondContact O-N 3.05Å; M386-E390 HydrophobicContact CB-CB 4.12Å; M386-E390 HydrophobicContact CE-CB 3.55Å; M386-E390 WeakPolarHBondContact CE-O 3.38Å; M386-E390 HydrophobicContact CG-CB 4.16Å; M386-E390 WeakPolarHBondContact CG-OE2 3.29Å; M386-V391 HydrophobicContact CB-CG2 3.89Å; M386-V391 HydrophobicContact CE-CB 4.46Å; M386-V391 HydrophobicContact CE-CG2 3.76Å; M386-V391 HydrophobicContact SD-CG2 3.95Å
387S52.5Low70.7Confident52 Ų5247 Ų4736%0.36424%0.244SC..  trans-60.7150.8158.173.10000108.1F385 R389 E390F385-S387 PolarHBondContact O-N 3.04Å; S387-R389 PolarHBondContact O-N 2.85Å; S387-R389 WeakPolarHBondContact OG-CB 3.5Å; S387-E390 WeakPolarHBondContact O-CB 3.5Å; S387-E390 PolarHBondContact O-N 3.26Å
388Y52.8Low70.4Confident73 Ų7347 Ų4729%0.28624%0.244SC..Hα-helixtrans-52.6-31176.869.9-92.5000111.5E390 V391 M392 D394Y388-E390 PolarHBondContact O-N 2.89Å; Y388-V391 PolarHBondContact O-N 3.07Å; Y388-M392 PolarHBondContact O-N 2.84Å; Y388-D394 WeakPolarHBondContact CE2-OD1 3.32Å; Y388-D394 PolarHBondContact OH-OD1 2.73Å
389R49.5Very low69.6Low126 Ų12647 Ų4748%0.47525%0.246SC..Hα-helixtrans-57.4-29.9175.8-56.7-167.2163.8171.1-5.5114.1S387 M392 D394S387-R389 PolarHBondContact O-N 2.85Å; S387-R389 WeakPolarHBondContact OG-CB 3.5Å; R389-M392 CarbonylContact C-O 3.58Å; R389-M392 VanDerWaalsContact CA-O 3.29Å; R389-M392 WeakPolarHBondContact CA-O 3.35Å; R389-D394 VanDerWaalsContact CG-OD1 3.31Å; R389-D394 WeakPolarHBondContact CG-OD1 3.35Å; R389-D394 IonicContact CZ-OD1 3.86Å; R389-D394 IonicContact CZ-OD2 2.99Å; R389-D394 IonicContact NE-OD1 2.8Å; R389-D394 PolarHBondContact NE-OD1 3.08Å; R389-D394 VanDerWaalsContact NE-OD1 3.09Å; R389-D394 IonicContact NE-OD2 3.94Å; R389-D394 PolarHBondContact NE-OD2 2.9Å; R389-D394 IonicContact NH2-OD2 3.36Å; R389-D394 PolarHBondContact NH2-OD2 2.81Å
390E53.7Low69.1Low109 Ų10944.8 Ų44.851%0.50923%0.232SC..Hα-helixtrans-82.8-24.9178.5-66.7174.9-14700112.5M386 S387 Y388M386-E390 HydrophobicContact CB-CB 4.12Å; M386-E390 HydrophobicContact CE-CB 3.55Å; M386-E390 WeakPolarHBondContact CE-O 3.38Å; M386-E390 HydrophobicContact CG-CB 4.16Å; M386-E390 WeakPolarHBondContact CG-OE2 3.29Å; S387-E390 WeakPolarHBondContact O-CB 3.5Å; S387-E390 PolarHBondContact O-N 3.26Å; Y388-E390 PolarHBondContact O-N 2.89Å
391V60.3Low69.1Low34 Ų3445.9 Ų45.921%0.20623%0.234CC..Hα-helixtrans-84.5-42177.3-179.80000110.1M386 Y388 I478 I486M386-V391 HydrophobicContact CB-CG2 3.89Å; M386-V391 HydrophobicContact CE-CB 4.46Å; M386-V391 HydrophobicContact CE-CG2 3.76Å; M386-V391 HydrophobicContact SD-CG2 3.95Å; Y388-V391 PolarHBondContact O-N 3.07Å; V391-I478 WeakPolarHBondContact O-CD1 3.45Å; V391-I478 WeakPolarHBondContact O-CG1 3.44Å; V391-I486 HydrophobicContact CB-CD1 4.05Å; V391-I486 HydrophobicContact CG1-CD1 3.92Å
392M68.1Low68.8Low4 Ų449.5 Ų49.52%0.0225%0.248CC..SBendtrans-143.8131178.9-173170.4177.600108.8Y388 R389 F435 Y463 M467 M475 I478 V483 I486Y388-M392 PolarHBondContact O-N 2.84Å; R389-M392 CarbonylContact C-O 3.58Å; R389-M392 VanDerWaalsContact CA-O 3.29Å; R389-M392 WeakPolarHBondContact CA-O 3.35Å; M392-F435 HydrophobicContact CE-CD1 4.18Å; M392-F435 HydrophobicContact CE-CG 4.48Å; M392-F435 HydrophobicContact SD-CD1 3.57Å; M392-F435 VanDerWaalsContact SD-CD1 3.57Å; M392-F435 HydrophobicContact SD-CE1 3.77Å; M392-F435 HydrophobicContact SD-CG 4.39Å; M392-Y463 HydrophobicContact CE-CE1 4.01Å; M392-M467 HydrophobicContact CE-CE 3.83Å; M392-M467 HydrophobicContact CE-CG 4.4Å; M392-M475 HydrophobicContact CE-CE 4.32Å; M392-M475 HydrophobicContact CE-SD 4Å; M392-I478 HydrophobicContact CB-CD1 4.16Å; M392-I478 HydrophobicContact CG-CD1 4.18Å; M392-V483 HydrophobicContact SD-CG2 4.29Å; M392-I486 HydrophobicContact CB-CD1 4.33Å
393P69.3Low68.5Low65 Ų6551 Ų5142%0.42226%0.263SS..  trans-61.1151.9178.923.9-32.5000111.6I474P393-I474 HydrophobicContact CG-CD1 4.43Å; P393-I474 HydrophobicContact CG-CG2 3.9Å
394D73.9Confident68.5Low35 Ų3551.6 Ų51.619%0.18727%0.267CS..  trans-55.3146.9173.6-71.9-26.3000110.9Y388 R389 Q432Y388-D394 WeakPolarHBondContact CE2-OD1 3.32Å; Y388-D394 PolarHBondContact OH-OD1 2.73Å; R389-D394 VanDerWaalsContact CG-OD1 3.31Å; R389-D394 WeakPolarHBondContact CG-OD1 3.35Å; R389-D394 IonicContact CZ-OD1 3.86Å; R389-D394 IonicContact CZ-OD2 2.99Å; R389-D394 IonicContact NE-OD1 2.8Å; R389-D394 PolarHBondContact NE-OD1 3.08Å; R389-D394 VanDerWaalsContact NE-OD1 3.09Å; R389-D394 IonicContact NE-OD2 3.94Å; R389-D394 PolarHBondContact NE-OD2 2.9Å; R389-D394 IonicContact NH2-OD2 3.36Å; R389-D394 PolarHBondContact NH2-OD2 2.81Å; D394-Q432 HydrophobicContact CB-CG 3.47Å; D394-Q432 VanDerWaalsContact CB-CG 3.47Å; D394-Q432 WeakPolarHBondContact OD2-CG 3.46Å; D394-Q432 PolarHBondContact OD2-NE2 3.11Å
395V82.1Confident68.9Low35 Ų3549.3 Ų49.321%0.21226%0.257CS..EExtended strand (participates in β ladder)trans-115.6164.6171.6-57.60000109.5V397 G433 F435V395-V397 HydrophobicContact CG2-CG2 4.14Å; V395-V397 PolarHBondContact O-N 3.41Å; V395-G433 PolarHBondContact N-O 3.34Å; V395-G433 PolarHBondContact O-N 3.45Å; V395-G433 VanDerWaalsContact O-N 3.07Å; V395-F435 HydrophobicContact CG1-CB 4.38Å; V395-F435 VanDerWaalsContact CG2-CA 3.44Å; V395-F435 HydrophobicContact CG2-CB 3.71Å
396L81.2Confident69.6Low119 Ų11948 Ų4862%0.62325%0.251SS*.EExtended strand (participates in β ladder)trans-70.1110.7165.7-179.964.6000108.2W427L396-W427 HydrophobicContact CD2-CH2 4.42Å; L396-W427 HydrophobicContact CD2-CZ3 3.85Å; L396-W427 HydrophobicContact CG-CZ3 4.07Å
397V79.2Confident70.5Confident0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans-90.7129.7176.1176.60000107.7V395 A430 H431 G433 S434 E437 D438V395-V397 HydrophobicContact CG2-CG2 4.14Å; V395-V397 PolarHBondContact O-N 3.41Å; V397-A430 CarbonylContact O-C 3.55Å; V397-A430 WeakPolarHBondContact O-CA 3.39Å; V397-H431 WeakPolarHBondContact CB-O 3.44Å; V397-H431 PolarHBondContact N-O 2.87Å; V397-H431 PolarHBondContact O-N 2.74Å; V397-G433 VanDerWaalsContact CG2-C 3.41Å; V397-S434 VanDerWaalsContact CG2-O 3.3Å; V397-S434 WeakPolarHBondContact CG2-O 3.39Å; V397-E437 HydrophobicContact CG1-CB 3.74Å; V397-E437 HydrophobicContact CG2-CB 4.49Å; V397-D438 WeakPolarHBondContact CA-OD2 3.42Å; V397-D438 WeakPolarHBondContact CG1-OD1 3.22Å
398H82.3Confident71.7Confident1 Ų151.5 Ų51.51%0.00526%0.263CS..  trans-69.6-34.8174.8-179.3-80000111.6D400 Y401 I424 I425 D426 W427 M429 A430 D438H398-D400 PolarHBondContact CE1-O 2.69Å; H398-D400 VanDerWaalsContact CE1-O 3.23Å; H398-D400 PolarHBondContact ND1-N 3.38Å; H398-D400 PolarHBondContact ND1-O 3.27Å; H398-D400 PolarHBondContact O-N 3.45Å; H398-D400 VanDerWaalsContact O-N 3.08Å; H398-Y401 HydrophobicContact CB-CD2 3.72Å; H398-Y401 HydrophobicContact CB-CG 4.32Å; H398-Y401 AromaticContact CG-CD2 3.8Å; H398-Y401 PolarHBondContact ND1-N 3.28Å; H398-I424 WeakPolarHBondContact CD2-CG2 3Å; H398-I424 WeakPolarHBondContact NE2-CG2 3.08Å; H398-I425 PolarHBondContact CE1-O 3.32Å; H398-I425 PolarHBondContact NE2-O 3.32Å; H398-D426 PolarHBondContact CE1-O 3.46Å; H398-D426 PolarHBondContact NE2-O 2.92Å; H398-W427 HydrophobicContact CB-CE3 4.31Å; H398-W427 HydrophobicContact CB-CH2 4.49Å; H398-W427 HydrophobicContact CB-CZ3 4.07Å; H398-W427 AromaticContact CD2-CD2 3.48Å; H398-W427 VanDerWaalsContact CD2-CD2 3.48Å; H398-W427 AromaticContact CD2-CE2 3.57Å; H398-W427 AromaticContact CD2-CE3 3.66Å; H398-W427 AromaticContact CD2-CG 3.98Å; H398-W427 AromaticContact CD2-CZ2 3.87Å; H398-W427 AromaticContact CD2-CZ3 3.93Å; H398-M429 CarbonylContact O-C 3.53Å; H398-A430 PolarHBondContact O-N 3.27Å; H398-D438 WeakPolarHBondContact CB-OD1 3.38Å; H398-D438 VanDerWaalsContact N-CG 3.29Å; H398-D438 PolarHBondContact N-OD1 3.08Å; H398-D438 PolarHBondContact N-OD2 2.92Å
399G70.4Confident72.8Confident6 Ų653.2 Ų53.26%0.06227%0.272CS..SBendtrans81.1-22.2173.400000114.4D438 Y441G399-D438 PolarHBondContact N-OD1 3.29Å; G399-Y441 VanDerWaalsContact O-CE2 3.29Å; G399-Y441 WeakPolarHBondContact O-CE2 3.34Å; G399-Y441 PolarHBondContact O-OH 3.19Å
400D73.5Confident73.9Confident14 Ų1452.3 Ų52.38%0.07528%0.275CS..  trans-130.750.7168.9-168.423.9000112.2H398 R402 N405 Y441H398-D400 PolarHBondContact CE1-O 2.69Å; H398-D400 VanDerWaalsContact CE1-O 3.23Å; H398-D400 PolarHBondContact ND1-N 3.38Å; H398-D400 PolarHBondContact ND1-O 3.27Å; H398-D400 PolarHBondContact O-N 3.45Å; H398-D400 VanDerWaalsContact O-N 3.08Å; D400-R402 VanDerWaalsContact C-N 3.26Å; D400-R402 VanDerWaalsContact CG-NE 3.3Å; D400-R402 PolarHBondContact O-N 3.07Å; D400-R402 WeakPolarHBondContact OD1-CD 3.37Å; D400-R402 IonicContact OD1-CZ 2.75Å; D400-R402 IonicContact OD1-NE 3.92Å; D400-R402 PolarHBondContact OD1-NE 3.17Å; D400-R402 IonicContact OD2-CZ 2.81Å; D400-R402 IonicContact OD2-NE 3.24Å; D400-R402 PolarHBondContact OD2-NE 2.92Å; D400-R402 IonicContact OD2-NH2 2.8Å; D400-R402 PolarHBondContact OD2-NH2 3.41Å; D400-N405 PolarHBondContact O-ND2 2.81Å; D400-N405 PolarHBondContact OD2-ND2 3.06Å; D400-Y441 WeakPolarHBondContact OD1-CE1 3.48Å
401Y83.4Confident74.4Confident54 Ų5451.3 Ų51.321%0.21227%0.273CS..  trans-78.364.9-169.6-158.2-116.3000113.5H398 M406 I424 D438 L442H398-Y401 HydrophobicContact CB-CD2 3.72Å; H398-Y401 HydrophobicContact CB-CG 4.32Å; H398-Y401 AromaticContact CG-CD2 3.8Å; H398-Y401 PolarHBondContact ND1-N 3.28Å; Y401-M406 HydrophobicContact CD1-CE 3.53Å; Y401-M406 HydrophobicContact CD2-CE 3.94Å; Y401-M406 HydrophobicContact CE1-CE 3.18Å; Y401-M406 HydrophobicContact CE2-CE 3.61Å; Y401-M406 HydrophobicContact CG-CE 3.9Å; Y401-I424 HydrophobicContact CD2-CG2 4.21Å; Y401-I424 HydrophobicContact CE2-CD1 3.67Å; Y401-I424 HydrophobicContact CE2-CG1 3.99Å; Y401-I424 HydrophobicContact CE2-CG2 3.95Å; Y401-D438 WeakPolarHBondContact CB-OD1 3.49Å; Y401-D438 HydrophobicContact CD1-CB 3.89Å; Y401-D438 HydrophobicContact CG-CB 3.87Å; Y401-L442 HydrophobicContact CD1-CB 4.13Å; Y401-L442 HydrophobicContact CE1-CD2 4.48Å; Y401-L442 VanDerWaalsContact O-CA 3.31Å; Y401-L442 WeakPolarHBondContact O-CA 3.13Å; Y401-L442 PolarHBondContact O-N 2.97Å
402R76.7Confident74.3Confident76 Ų7655.7 Ų55.729%0.28731%0.306SS..  trans-109.1160.2-178.556.1177.2170.5172.2-2.7113.4D400 S404 N405 F445 S446D400-R402 VanDerWaalsContact C-N 3.26Å; D400-R402 VanDerWaalsContact CG-NE 3.3Å; D400-R402 PolarHBondContact O-N 3.07Å; D400-R402 WeakPolarHBondContact OD1-CD 3.37Å; D400-R402 IonicContact OD1-CZ 2.75Å; D400-R402 IonicContact OD1-NE 3.92Å; D400-R402 PolarHBondContact OD1-NE 3.17Å; D400-R402 IonicContact OD2-CZ 2.81Å; D400-R402 IonicContact OD2-NE 3.24Å; D400-R402 PolarHBondContact OD2-NE 2.92Å; D400-R402 IonicContact OD2-NH2 2.8Å; D400-R402 PolarHBondContact OD2-NH2 3.41Å; R402-S404 VanDerWaalsContact C-N 3.26Å; R402-S404 WeakPolarHBondContact CD-OG 3.32Å; R402-S404 WeakPolarHBondContact CG-OG 3.36Å; R402-S404 PolarHBondContact NE-OG 3.08Å; R402-S404 PolarHBondContact O-N 3.03Å; R402-N405 HydrophobicContact CG-CB 4.38Å; R402-N405 WeakPolarHBondContact O-CA 3.31Å; R402-N405 WeakPolarHBondContact O-CB 3.43Å; R402-N405 PolarHBondContact O-N 3.31Å; R402-F445 HydrophobicContact CB-CB 3.98Å; R402-S446 VanDerWaalsContact CA-OG 3.23Å; R402-S446 WeakPolarHBondContact CA-OG 3.46Å
403A71.6Confident73.8Confident49 Ų4959.6 Ų59.641%0.40535%0.347SS..G310 helixtrans-59.2-31.3-175.300000113.9N405 M406 S446A403-N405 PolarHBondContact O-N 3.36Å; A403-M406 PolarHBondContact O-N 3.18Å; A403-M406 VanDerWaalsContact O-N 3.09Å; A403-S446 PolarHBondContact N-OG 2.81Å
404S70.1Confident73.1Confident79 Ų7960.6 Ų60.655%0.55235%0.352SS*.G310 helixtrans-63.8-22.2174.554.70000113.1R402 M406R402-S404 VanDerWaalsContact C-N 3.26Å; R402-S404 WeakPolarHBondContact CD-OG 3.32Å; R402-S404 WeakPolarHBondContact CG-OG 3.36Å; R402-S404 PolarHBondContact NE-OG 3.08Å; R402-S404 PolarHBondContact O-N 3.03Å; S404-M406 VanDerWaalsContact C-N 3.34Å
405N76.1Confident72.2Confident10 Ų1066 Ų665%0.05338%0.381CS..G310 helixtrans-96.59.5179.1-67.8-5.1000111.7D400 R402 A403 I424 I425D400-N405 PolarHBondContact O-ND2 2.81Å; D400-N405 PolarHBondContact OD2-ND2 3.06Å; R402-N405 HydrophobicContact CG-CB 4.38Å; R402-N405 WeakPolarHBondContact O-CA 3.31Å; R402-N405 WeakPolarHBondContact O-CB 3.43Å; R402-N405 PolarHBondContact O-N 3.31Å; A403-N405 PolarHBondContact O-N 3.36Å; N405-I424 CarbonylContact O-C 3.45Å; N405-I424 WeakPolarHBondContact O-CA 3.31Å; N405-I425 HydrophobicContact CB-CG1 4.4Å; N405-I425 WeakPolarHBondContact CB-O 3.49Å; N405-I425 WeakPolarHBondContact O-CG1 3.45Å; N405-I425 PolarHBondContact O-N 2.88Å
406M80.5Confident70.7Confident23 Ų2368 Ų6811%0.11339%0.393CS..EExtended strand (participates in β ladder)trans-117.6119.2179.3-63.7-179171.200110.7Y401 A403 S404 F408 L421 L442Y401-M406 HydrophobicContact CD1-CE 3.53Å; Y401-M406 HydrophobicContact CD2-CE 3.94Å; Y401-M406 HydrophobicContact CE1-CE 3.18Å; Y401-M406 HydrophobicContact CE2-CE 3.61Å; Y401-M406 HydrophobicContact CG-CE 3.9Å; A403-M406 PolarHBondContact O-N 3.18Å; A403-M406 VanDerWaalsContact O-N 3.09Å; S404-M406 VanDerWaalsContact C-N 3.34Å; M406-F408 HydrophobicContact CB-CD2 4.43Å; M406-F408 HydrophobicContact CB-CE2 3.7Å; M406-F408 HydrophobicContact CB-CZ 4.22Å; M406-F408 HydrophobicContact SD-CZ 4.4Å; M406-L421 HydrophobicContact CB-CD1 3.9Å; M406-L421 HydrophobicContact CG-CD1 4.29Å; M406-L442 HydrophobicContact CE-CD1 3.72Å; M406-L442 HydrophobicContact SD-CD1 4.1Å
407L73.4Confident69.6Low85 Ų8565.6 Ų65.645%0.44539%0.39SS..EExtended strand (participates in β ladder)trans-95.8128.7172.7-59.8179.9000109A422 A423 I425L407-A422 HydrophobicContact CB-CB 4.43Å; L407-A422 WeakPolarHBondContact O-CA 3.29Å; L407-A422 WeakPolarHBondContact O-CB 3.43Å; L407-A422 PolarHBondContact O-N 3.22Å; L407-A423 HydrophobicContact CB-CB 4.31Å; L407-A423 HydrophobicContact CD1-CB 4.34Å; L407-A423 PolarHBondContact N-O 3.08Å; L407-A423 PolarHBondContact O-N 3.35Å; L407-A423 VanDerWaalsContact O-N 3.08Å; L407-I425 HydrophobicContact CD1-CG2 3.93Å; L407-I425 HydrophobicContact CD2-CD1 4.42Å; L407-I425 HydrophobicContact CG-CD1 4.42Å; L407-I425 HydrophobicContact CG-CG2 4.34Å
408F78.2Confident69.3Low85 Ų8566.2 Ų66.237%0.37340%0.395SS..EExtended strand (participates in β ladder)trans-107.7146.5176.1-67.6-92.9000110M406 A417 Q420 L421M406-F408 HydrophobicContact CB-CD2 4.43Å; M406-F408 HydrophobicContact CB-CE2 3.7Å; M406-F408 HydrophobicContact CB-CZ 4.22Å; M406-F408 HydrophobicContact SD-CZ 4.4Å; F408-A417 HydrophobicContact CB-CB 3.83Å; F408-Q420 CarbonylContact C-O 3.12Å; F408-Q420 WeakPolarHBondContact CA-O 3.41Å; F408-L421 HydrophobicContact CD1-CD1 4.35Å; F408-L421 HydrophobicContact CE1-CD1 3.99Å; F408-L421 HydrophobicContact CE2-CD1 4.38Å; F408-L421 HydrophobicContact CZ-CD1 4.01Å
409K75.8Confident68.7Low109 Ų10972 Ų7247%0.47444%0.435SS..EExtended strand (participates in β ladder)trans-64.1141.4175.7-68.5-173.8-176.7173.20109.4S418 Q420 A422K409-S418 WeakPolarHBondContact O-CA 3.49Å; K409-S418 WeakPolarHBondContact O-CB 3.28Å; K409-S418 PolarHBondContact O-N 3.12Å; K409-S418 PolarHBondContact O-OG 2.93Å; K409-Q420 HydrophobicContact CB-CB 4.36Å; K409-Q420 HydrophobicContact CD-CB 4.15Å; K409-Q420 HydrophobicContact CG-CB 4.38Å; K409-Q420 PolarHBondContact N-O 3.38Å; K409-A422 HydrophobicContact CG-CB 3.74Å
410I72.2Confident68.9Low107 Ų10777 Ų7755%0.54946%0.457SS..EExtended strand (participates in β ladder)trans-87131.4177.7-58.8174.2000108.7S412 T416I410-S412 PolarHBondContact O-N 3.26Å; I410-T416 WeakPolarHBondContact CA-O 3.32Å
411D64.8Low69Low87 Ų8780 Ų8047%0.46547%0.472SS..PPolyproline II helixtrans-68126.9170.8-79.6-34000109.4G413 T414 T416 S418D411-G413 PolarHBondContact O-N 3.48Å; D411-T414 PolarHBondContact O-N 3.45Å; D411-T414 PolarHBondContact O-OG1 2.83Å; D411-T416 PolarHBondContact N-O 3.2Å; D411-S418 VanDerWaalsContact OD1-CB 3.29Å; D411-S418 WeakPolarHBondContact OD1-CB 3.44Å
412S56.4Low68.7Low127 Ų12780.1 Ų80.189%0.88849%0.485SS*.THydrogen-bonded Turntrans-57.3114-176.751.90000110.8I410I410-S412 PolarHBondContact O-N 3.26Å
413G59.2Low68.5Low85 Ų8578.4 Ų78.488%0.87649%0.487SS*.THydrogen-bonded Turntrans108.8-16.2173.100000116.2D411D411-G413 PolarHBondContact O-N 3.48Å
414T54.9Low68.9Low86 Ų8678.3 Ų78.353%0.52848%0.479SS..THydrogen-bonded Turntrans-110.9-6.6-177.152.40000114.6D411 T416D411-T414 PolarHBondContact O-N 3.45Å; D411-T414 PolarHBondContact O-OG1 2.83Å; T414-T416 WeakPolarHBondContact CB-OG1 3.14Å; T414-T416 PolarHBondContact O-N 2.85Å; T414-T416 PolarHBondContact OG1-OG1 2.79Å
415N53.4Low69.1Low150 Ų15077.9 Ų77.980%0.80247%0.47SS*.  trans52.520-171.9-102.52.4000113
416T50.6Low68.1Low76 Ų7680.3 Ų80.347%0.46648%0.483SS..PPolyproline II helixtrans-102.5138.4177.254.80000110.1I410 D411 T414 S418I410-T416 WeakPolarHBondContact CA-O 3.32Å; D411-T416 PolarHBondContact N-O 3.2Å; T414-T416 WeakPolarHBondContact CB-OG1 3.14Å; T414-T416 PolarHBondContact O-N 2.85Å; T414-T416 PolarHBondContact OG1-OG1 2.79Å; T416-S418 PolarHBondContact O-N 2.91Å
417A59.5Low67.8Low69 Ų6984.7 Ų84.757%0.5750%0.498SS*.EExtended strand (participates in β ladder)trans-60.7126.5170.800000110.6F408F408-A417 HydrophobicContact CB-CB 3.83Å
418S71.7Confident67Low13 Ų1386.7 Ų86.79%0.09151%0.505CS..EExtended strand (participates in β ladder)trans-72.2172.1167.976.90000110.8K409 D411 T416 Q420K409-S418 WeakPolarHBondContact O-CA 3.49Å; K409-S418 WeakPolarHBondContact O-CB 3.28Å; K409-S418 PolarHBondContact O-N 3.12Å; K409-S418 PolarHBondContact O-OG 2.93Å; D411-S418 VanDerWaalsContact OD1-CB 3.29Å; D411-S418 WeakPolarHBondContact OD1-CB 3.44Å; T416-S418 PolarHBondContact O-N 2.91Å; S418-Q420 PolarHBondContact O-N 2.78Å; S418-Q420 PolarHBondContact OG-N 2.84Å; S418-Q420 VanDerWaalsContact OG-N 3.16Å
419S70.6Confident66Low121 Ų12187.6 Ų87.685%0.84651%0.512SS*.EExtended strand (participates in β ladder)trans-74.2-3.4172.858.70000114.1
420Q73.7Confident65.7Low113 Ų11384.5 Ų84.553%0.52851%0.506SS..EExtended strand (participates in β ladder)trans-88.9118.3-179.8-65.5-168.5-500111F408 K409 S418 A422F408-Q420 CarbonylContact C-O 3.12Å; F408-Q420 WeakPolarHBondContact CA-O 3.41Å; K409-Q420 HydrophobicContact CB-CB 4.36Å; K409-Q420 HydrophobicContact CD-CB 4.15Å; K409-Q420 HydrophobicContact CG-CB 4.38Å; K409-Q420 PolarHBondContact N-O 3.38Å; S418-Q420 PolarHBondContact O-N 2.78Å; S418-Q420 PolarHBondContact OG-N 2.84Å; S418-Q420 VanDerWaalsContact OG-N 3.16Å; Q420-A422 PolarHBondContact O-N 3.39Å
421L76.8Confident65.5Low75 Ų7583.1 Ų83.139%0.39350%0.498SS..EExtended strand (participates in β ladder)trans-62128.2169.9-167.572000109.6M406 F408 I424M406-L421 HydrophobicContact CB-CD1 3.9Å; M406-L421 HydrophobicContact CG-CD1 4.29Å; F408-L421 HydrophobicContact CD1-CD1 4.35Å; F408-L421 HydrophobicContact CE1-CD1 3.99Å; F408-L421 HydrophobicContact CE2-CD1 4.38Å; F408-L421 HydrophobicContact CZ-CD1 4.01Å; L421-I424 HydrophobicContact CD2-CD1 3.93Å; L421-I424 HydrophobicContact CD2-CG1 3.92Å
422A76.1Confident65.3Low57 Ų5785.3 Ų85.347%0.47151%0.505SS..EExtended strand (participates in β ladder)trans-93.2-46.3174.900000111.6L407 K409 Q420L407-A422 HydrophobicContact CB-CB 4.43Å; L407-A422 WeakPolarHBondContact O-CA 3.29Å; L407-A422 WeakPolarHBondContact O-CB 3.43Å; L407-A422 PolarHBondContact O-N 3.22Å; K409-A422 HydrophobicContact CG-CB 3.74Å; Q420-A422 PolarHBondContact O-N 3.39Å
423A73.3Confident66.1Low41 Ų4179.3 Ų79.334%0.33946%0.463SS..EExtended strand (participates in β ladder)trans-160.2160-18000000112L407L407-A423 HydrophobicContact CB-CB 4.31Å; L407-A423 HydrophobicContact CD1-CB 4.34Å; L407-A423 PolarHBondContact N-O 3.08Å; L407-A423 PolarHBondContact O-N 3.35Å; L407-A423 VanDerWaalsContact O-N 3.08Å
424I80.6Confident67.1Low46 Ų4675.4 Ų75.424%0.23642%0.423CS..EExtended strand (participates in β ladder)trans-114.2130.7167.4-61.9148.9000107H398 Y401 N405 L421 W427H398-I424 WeakPolarHBondContact CD2-CG2 3Å; H398-I424 WeakPolarHBondContact NE2-CG2 3.08Å; Y401-I424 HydrophobicContact CD2-CG2 4.21Å; Y401-I424 HydrophobicContact CE2-CD1 3.67Å; Y401-I424 HydrophobicContact CE2-CG1 3.99Å; Y401-I424 HydrophobicContact CE2-CG2 3.95Å; N405-I424 CarbonylContact O-C 3.45Å; N405-I424 WeakPolarHBondContact O-CA 3.31Å; L421-I424 HydrophobicContact CD2-CD1 3.93Å; L421-I424 HydrophobicContact CD2-CG1 3.92Å; I424-W427 HydrophobicContact CB-CZ2 4.23Å; I424-W427 HydrophobicContact CG2-CZ2 4.03Å; I424-W427 PolarHBondContact O-NE1 2.91Å; I424-W427 VanDerWaalsContact O-NE1 3.1Å
425I74.2Confident68.6Low70 Ų7071.7 Ų71.736%0.35940%0.399SS..  trans-121169.4-175.461.7172.2000110.9H398 N405 L407H398-I425 PolarHBondContact CE1-O 3.32Å; H398-I425 PolarHBondContact NE2-O 3.32Å; N405-I425 HydrophobicContact CB-CG1 4.4Å; N405-I425 WeakPolarHBondContact CB-O 3.49Å; N405-I425 WeakPolarHBondContact O-CG1 3.45Å; N405-I425 PolarHBondContact O-N 2.88Å; L407-I425 HydrophobicContact CD1-CG2 3.93Å; L407-I425 HydrophobicContact CD2-CD1 4.42Å; L407-I425 HydrophobicContact CG-CD1 4.42Å; L407-I425 HydrophobicContact CG-CG2 4.34Å
426D54.2Low70Confident61 Ų6164.6 Ų64.633%0.32636%0.361SS..  trans66.755.9175.9-160.69.6000115.2H398 Q428H398-D426 PolarHBondContact CE1-O 3.46Å; H398-D426 PolarHBondContact NE2-O 2.92Å; D426-Q428 VanDerWaalsContact CG-NE2 3.3Å; D426-Q428 PolarHBondContact O-N 3.25Å; D426-Q428 VanDerWaalsContact O-N 3.08Å; D426-Q428 WeakPolarHBondContact OD1-CG 3.39Å; D426-Q428 PolarHBondContact OD1-NE2 2.76Å; D426-Q428 PolarHBondContact OD2-NE2 3.1Å
427W73.6Confident71.4Confident115 Ų11562.8 Ų62.844%0.43635%0.347SS..G310 helixtrans-76.821.9178.3-6881.6000114L396 H398 I424 M429 A430L396-W427 HydrophobicContact CD2-CH2 4.42Å; L396-W427 HydrophobicContact CD2-CZ3 3.85Å; L396-W427 HydrophobicContact CG-CZ3 4.07Å; H398-W427 HydrophobicContact CB-CE3 4.31Å; H398-W427 HydrophobicContact CB-CH2 4.49Å; H398-W427 HydrophobicContact CB-CZ3 4.07Å; H398-W427 AromaticContact CD2-CD2 3.48Å; H398-W427 VanDerWaalsContact CD2-CD2 3.48Å; H398-W427 AromaticContact CD2-CE2 3.57Å; H398-W427 AromaticContact CD2-CE3 3.66Å; H398-W427 AromaticContact CD2-CG 3.98Å; H398-W427 AromaticContact CD2-CZ2 3.87Å; H398-W427 AromaticContact CD2-CZ3 3.93Å; I424-W427 HydrophobicContact CB-CZ2 4.23Å; I424-W427 HydrophobicContact CG2-CZ2 4.03Å; I424-W427 PolarHBondContact O-NE1 2.91Å; I424-W427 VanDerWaalsContact O-NE1 3.1Å; W427-M429 PolarHBondContact O-N 3.37Å; W427-M429 VanDerWaalsContact O-N 3.17Å; W427-A430 HydrophobicContact CB-CB 4.15Å; W427-A430 HydrophobicContact CE3-CB 3.78Å; W427-A430 WeakPolarHBondContact O-CB 3.44Å; W427-A430 PolarHBondContact O-N 2.9Å
428Q56.8Low72.7Confident128 Ų12860.4 Ų60.460%0.59833%0.325SS*.G310 helixtrans-63.2-23.7-174.865.4-178.4-42.200113.7D426D426-Q428 VanDerWaalsContact CG-NE2 3.3Å; D426-Q428 PolarHBondContact O-N 3.25Å; D426-Q428 VanDerWaalsContact O-N 3.08Å; D426-Q428 WeakPolarHBondContact OD1-CG 3.39Å; D426-Q428 PolarHBondContact OD1-NE2 2.76Å; D426-Q428 PolarHBondContact OD2-NE2 3.1Å
429M58Low73.5Confident104 Ų10460.4 Ų60.451%0.51232%0.324SS..G310 helixtrans-103.615.3176.7-64.6-70.48400112.9H398 W427 H431H398-M429 CarbonylContact O-C 3.53Å; W427-M429 PolarHBondContact O-N 3.37Å; W427-M429 VanDerWaalsContact O-N 3.17Å; M429-H431 PolarHBondContact O-N 2.71Å; M429-H431 PolarHBondContact O-ND1 2.82Å
430A70Confident73.9Confident43 Ų4354.7 Ų54.736%0.35528%0.284SS..  trans-65129.7-177.400000111.4V397 H398 W427V397-A430 CarbonylContact O-C 3.55Å; V397-A430 WeakPolarHBondContact O-CA 3.39Å; H398-A430 PolarHBondContact O-N 3.27Å; W427-A430 HydrophobicContact CB-CB 4.15Å; W427-A430 HydrophobicContact CE3-CB 3.78Å; W427-A430 WeakPolarHBondContact O-CB 3.44Å; W427-A430 PolarHBondContact O-N 2.9Å
431H68.1Low74Confident79 Ų7951 Ų5137%0.36627%0.265SS..EExtended strand (participates in β ladder)trans-154.7169.7-179.563.5-79.4000111.3V397 M429 E437V397-H431 WeakPolarHBondContact CB-O 3.44Å; V397-H431 PolarHBondContact N-O 2.87Å; V397-H431 PolarHBondContact O-N 2.74Å; M429-H431 PolarHBondContact O-N 2.71Å; M429-H431 PolarHBondContact O-ND1 2.82Å; H431-E437 IonicContact CE1-OE2 3.47Å; H431-E437 IonicContact NE2-OE2 3.08Å; H431-E437 PolarHBondContact NE2-OE2 3.45Å
432Q60.3Low74.3Confident133 Ų13349.3 Ų49.362%0.62126%0.256SS*.EExtended strand (participates in β ladder)trans-84121.4174.1-178.7179-14.400109.5D394D394-Q432 HydrophobicContact CB-CG 3.47Å; D394-Q432 VanDerWaalsContact CB-CG 3.47Å; D394-Q432 WeakPolarHBondContact OD2-CG 3.46Å; D394-Q432 PolarHBondContact OD2-NE2 3.11Å
433G72.7Confident74.3Confident1 Ų146.7 Ų46.71%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-167.3-164-174.500000114.6V395 V397V395-G433 PolarHBondContact N-O 3.34Å; V395-G433 PolarHBondContact O-N 3.45Å; V395-G433 VanDerWaalsContact O-N 3.07Å; V397-G433 VanDerWaalsContact CG2-C 3.41Å
434S80.5Confident74Confident3 Ų345.9 Ų45.92%0.02122%0.224CC..  trans-79.2136.1-179.4177.60000110.5V397 A436 E437V397-S434 VanDerWaalsContact CG2-O 3.3Å; V397-S434 WeakPolarHBondContact CG2-O 3.39Å; S434-A436 PolarHBondContact O-N 2.74Å; S434-A436 WeakPolarHBondContact OG-CB 3.41Å; S434-A436 PolarHBondContact OG-N 3.32Å; S434-E437 PolarHBondContact N-OE1 3.35Å; S434-E437 WeakPolarHBondContact O-CB 3.46Å; S434-E437 WeakPolarHBondContact O-CG 3.38Å; S434-E437 PolarHBondContact O-N 2.78Å
435F85.6Confident73.3Confident8 Ų848.2 Ų48.24%0.03523%0.233CC..Hα-helixtrans-53.8-25.8172.379.7-83.8000113.1M392 V395 E437 I439 V460 Y463 V483 I486M392-F435 HydrophobicContact CE-CD1 4.18Å; M392-F435 HydrophobicContact CE-CG 4.48Å; M392-F435 HydrophobicContact SD-CD1 3.57Å; M392-F435 VanDerWaalsContact SD-CD1 3.57Å; M392-F435 HydrophobicContact SD-CE1 3.77Å; M392-F435 HydrophobicContact SD-CG 4.39Å; V395-F435 HydrophobicContact CG1-CB 4.38Å; V395-F435 VanDerWaalsContact CG2-CA 3.44Å; V395-F435 HydrophobicContact CG2-CB 3.71Å; F435-E437 PolarHBondContact O-N 2.64Å; F435-I439 HydrophobicContact CD2-CD1 3.66Å; F435-I439 HydrophobicContact CD2-CG1 4.49Å; F435-I439 HydrophobicContact CE2-CD1 3.9Å; F435-V460 HydrophobicContact CE2-CG1 4.5Å; F435-Y463 HydrophobicContact CB-CE1 3.78Å; F435-Y463 HydrophobicContact CB-CE2 4.35Å; F435-Y463 VanDerWaalsContact CB-CZ 3.49Å; F435-Y463 WeakPolarHBondContact CB-OH 3.43Å; F435-Y463 HydrophobicContact CD1-CE1 4.26Å; F435-Y463 AromaticContact CD2-CD1 3.5Å; F435-Y463 HydrophobicContact CD2-CD1 3.5Å; F435-Y463 AromaticContact CD2-CE1 3.12Å; F435-Y463 HydrophobicContact CD2-CE1 3.12Å; F435-Y463 HydrophobicContact CD2-CE2 4.42Å; F435-Y463 HydrophobicContact CD2-CG 4.31Å; F435-Y463 AromaticContact CD2-CZ 3.67Å; F435-Y463 AromaticContact CE2-CD1 3.83Å; F435-Y463 HydrophobicContact CE2-CD1 3.83Å; F435-Y463 AromaticContact CE2-CE1 3.8Å; F435-Y463 HydrophobicContact CE2-CE1 3.8Å; F435-Y463 HydrophobicContact CG-CD1 4.26Å; F435-Y463 AromaticContact CG-CE1 3.42Å; F435-Y463 HydrophobicContact CG-CE1 3.42Å; F435-Y463 VanDerWaalsContact CG-CE1 3.42Å; F435-Y463 AromaticContact CG-CZ 3.72Å; F435-V483 HydrophobicContact CE1-CG1 3.99Å; F435-V483 HydrophobicContact CE2-CG1 3.81Å; F435-V483 HydrophobicContact CZ-CB 4.35Å; F435-V483 HydrophobicContact CZ-CG1 3.31Å; F435-I486 HydrophobicContact CE1-CB 4.31Å; F435-I486 HydrophobicContact CE1-CG2 3.98Å
436A83.4Confident73.2Confident0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-63.8-27.2-179.100000112S434 I439 C440 I486 F487 T490S434-A436 PolarHBondContact O-N 2.74Å; S434-A436 WeakPolarHBondContact OG-CB 3.41Å; S434-A436 PolarHBondContact OG-N 3.32Å; A436-I439 PolarHBondContact O-N 3.42Å; A436-C440 VanDerWaalsContact O-CB 3.24Å; A436-C440 WeakPolarHBondContact O-CB 3.42Å; A436-C440 PolarHBondContact O-N 3.19Å; A436-C440 PolarHBondContact O-SG 3.02Å; A436-I486 HydrophobicContact CB-CG2 4.33Å; A436-F487 HydrophobicContact CB-CB 4.26Å; A436-F487 HydrophobicContact CB-CD2 4.12Å; A436-T490 HydrophobicContact CB-CG2 3.9Å
437E79.6Confident73.8Confident38 Ų3845.3 Ų45.318%0.17822%0.222CC..Hα-helixtrans-63.3-51.7-176-64.3179.4-126.900111.9V397 H431 S434 F435 I439 C440 Y441 T490 I494V397-E437 HydrophobicContact CG1-CB 3.74Å; V397-E437 HydrophobicContact CG2-CB 4.49Å; H431-E437 IonicContact CE1-OE2 3.47Å; H431-E437 IonicContact NE2-OE2 3.08Å; H431-E437 PolarHBondContact NE2-OE2 3.45Å; S434-E437 PolarHBondContact N-OE1 3.35Å; S434-E437 WeakPolarHBondContact O-CB 3.46Å; S434-E437 WeakPolarHBondContact O-CG 3.38Å; S434-E437 PolarHBondContact O-N 2.78Å; F435-E437 PolarHBondContact O-N 2.64Å; E437-I439 PolarHBondContact O-N 2.83Å; E437-C440 WeakPolarHBondContact O-CB 3.46Å; E437-C440 PolarHBondContact O-N 2.81Å; E437-Y441 PolarHBondContact O-N 3.1Å; E437-T490 HydrophobicContact CG-CG2 3.96Å; E437-I494 HydrophobicContact CG-CD1 4.5Å
438D87.5Confident73.3Confident20 Ų2045.1 Ų45.111%0.10723%0.23CC..Hα-helixtrans-65.9-37.9177.9-77.2-18000112.2V397 H398 G399 Y401 Y441 L442V397-D438 WeakPolarHBondContact CA-OD2 3.42Å; V397-D438 WeakPolarHBondContact CG1-OD1 3.22Å; H398-D438 WeakPolarHBondContact CB-OD1 3.38Å; H398-D438 VanDerWaalsContact N-CG 3.29Å; H398-D438 PolarHBondContact N-OD1 3.08Å; H398-D438 PolarHBondContact N-OD2 2.92Å; G399-D438 PolarHBondContact N-OD1 3.29Å; Y401-D438 WeakPolarHBondContact CB-OD1 3.49Å; Y401-D438 HydrophobicContact CD1-CB 3.89Å; Y401-D438 HydrophobicContact CG-CB 3.87Å; D438-Y441 PolarHBondContact O-N 3.03Å; D438-L442 WeakPolarHBondContact O-CB 3.42Å; D438-L442 PolarHBondContact O-N 3.26Å
439I87.9Confident73.1Confident13 Ų1341.7 Ų41.77%0.06722%0.215CC..Hα-helixtrans-66.4-41.9175.2-58.6-177.8000109.9F435 A436 E437 L442 M443 V459 V460 Y463 F487F435-I439 HydrophobicContact CD2-CD1 3.66Å; F435-I439 HydrophobicContact CD2-CG1 4.49Å; F435-I439 HydrophobicContact CE2-CD1 3.9Å; A436-I439 PolarHBondContact O-N 3.42Å; E437-I439 PolarHBondContact O-N 2.83Å; I439-L442 PolarHBondContact O-N 2.83Å; I439-M443 HydrophobicContact CG2-CG 4.09Å; I439-M443 WeakPolarHBondContact O-CB 3.24Å; I439-M443 WeakPolarHBondContact O-CG 3.17Å; I439-M443 PolarHBondContact O-N 2.92Å; I439-V459 HydrophobicContact CG2-CG1 4.26Å; I439-V460 HydrophobicContact CG2-CG2 4.18Å; I439-Y463 HydrophobicContact CD1-CD1 4.03Å; I439-Y463 HydrophobicContact CD1-CD2 3.91Å; I439-Y463 HydrophobicContact CD1-CG 3.64Å; I439-F487 HydrophobicContact CB-CD2 4.31Å; I439-F487 HydrophobicContact CB-CE2 3.99Å; I439-F487 HydrophobicContact CG2-CD2 4.13Å; I439-F487 HydrophobicContact CG2-CE2 3.56Å; I439-F487 HydrophobicContact CG2-CZ 4.36Å
440C79.9Confident73Confident0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-59.6-47.9174.8-74.70000110.6A436 E437 L442 M443 I444 F487 L491 I494A436-C440 VanDerWaalsContact O-CB 3.24Å; A436-C440 WeakPolarHBondContact O-CB 3.42Å; A436-C440 PolarHBondContact O-N 3.19Å; A436-C440 PolarHBondContact O-SG 3.02Å; E437-C440 WeakPolarHBondContact O-CB 3.46Å; E437-C440 PolarHBondContact O-N 2.81Å; C440-L442 PolarHBondContact O-N 3.03Å; C440-M443 PolarHBondContact O-N 3.24Å; C440-I444 VanDerWaalsContact O-CB 3.3Å; C440-I444 WeakPolarHBondContact O-CB 3.19Å; C440-I444 WeakPolarHBondContact O-CD1 3.48Å; C440-I444 WeakPolarHBondContact O-CG1 3.49Å; C440-I444 PolarHBondContact O-N 3.13Å; C440-F487 WeakPolarHBondContact SG-CE2 3.27Å; C440-L491 HydrophobicContact CB-CD1 4.2Å; C440-L491 VanDerWaalsContact SG-CA 3.56Å; C440-I494 HydrophobicContact CB-CB 4.3Å; C440-I494 HydrophobicContact CB-CG1 4.19Å; C440-I494 HydrophobicContact CB-CG2 4.25Å
441Y75Confident72.9Confident37 Ų3741.2 Ų41.215%0.14522%0.218CC..Hα-helixtrans-56.5-49.2175.6-108-94.7000112.4G399 D400 E437 D438 M443 I444 F445 I494 F498G399-Y441 VanDerWaalsContact O-CE2 3.29Å; G399-Y441 WeakPolarHBondContact O-CE2 3.34Å; G399-Y441 PolarHBondContact O-OH 3.19Å; D400-Y441 WeakPolarHBondContact OD1-CE1 3.48Å; E437-Y441 PolarHBondContact O-N 3.1Å; D438-Y441 PolarHBondContact O-N 3.03Å; Y441-M443 PolarHBondContact O-N 3.29Å; Y441-I444 PolarHBondContact O-N 3.29Å; Y441-F445 AromaticContact CD1-CD2 3.48Å; Y441-F445 HydrophobicContact CD1-CD2 3.48Å; Y441-F445 VanDerWaalsContact CD1-CD2 3.48Å; Y441-F445 AromaticContact CD1-CE2 3.58Å; Y441-F445 HydrophobicContact CD1-CE2 3.58Å; Y441-F445 AromaticContact CE1-CD2 3.91Å; Y441-F445 HydrophobicContact CE1-CD2 3.91Å; Y441-F445 AromaticContact CE1-CE2 3.59Å; Y441-F445 HydrophobicContact CE1-CE2 3.59Å; Y441-F445 HydrophobicContact CG-CD2 4.15Å; Y441-F445 HydrophobicContact CG-CE2 4.21Å; Y441-F445 WeakPolarHBondContact O-CD2 3.47Å; Y441-F445 PolarHBondContact O-N 3.35Å; Y441-I494 HydrophobicContact CD2-CG2 4.25Å; Y441-I494 HydrophobicContact CE2-CG2 4.35Å; Y441-F498 HydrophobicContact CE2-CE2 4.2Å; Y441-F498 HydrophobicContact CE2-CZ 4.35Å; Y441-F498 AromaticContact CZ-CZ 3.81Å; Y441-F498 VanDerWaalsContact OH-CZ 3.25Å; Y441-F498 WeakPolarHBondContact OH-CZ 3.49Å
442L83.1Confident72.8Confident38 Ų3838.2 Ų38.220%0.19920%0.204CC..Hα-helixtrans-58.2-50.4177.3-179.769.4000111.2Y401 M406 D438 I439 C440 I444 S446 V447Y401-L442 HydrophobicContact CD1-CB 4.13Å; Y401-L442 HydrophobicContact CE1-CD2 4.48Å; Y401-L442 VanDerWaalsContact O-CA 3.31Å; Y401-L442 WeakPolarHBondContact O-CA 3.13Å; Y401-L442 PolarHBondContact O-N 2.97Å; M406-L442 HydrophobicContact CE-CD1 3.72Å; M406-L442 HydrophobicContact SD-CD1 4.1Å; D438-L442 WeakPolarHBondContact O-CB 3.42Å; D438-L442 PolarHBondContact O-N 3.26Å; I439-L442 PolarHBondContact O-N 2.83Å; C440-L442 PolarHBondContact O-N 3.03Å; L442-I444 VanDerWaalsContact C-N 3.3Å; L442-I444 PolarHBondContact O-N 2.8Å; L442-S446 WeakPolarHBondContact O-CA 3.3Å; L442-S446 WeakPolarHBondContact O-CB 3.4Å; L442-S446 PolarHBondContact O-N 3.08Å; L442-S446 PolarHBondContact O-OG 3.01Å; L442-V447 HydrophobicContact CG-CG2 4.46Å; L442-V447 PolarHBondContact O-N 3.22Å
443M76.4Confident72.8Confident3 Ų339.3 Ų39.32%0.01520%0.202CC..Hα-helixtrans-66.3-33-177.9-64.2-59.6-59.700112I439 C440 Y441 V447 R452 M456 V459I439-M443 HydrophobicContact CG2-CG 4.09Å; I439-M443 WeakPolarHBondContact O-CB 3.24Å; I439-M443 WeakPolarHBondContact O-CG 3.17Å; I439-M443 PolarHBondContact O-N 2.92Å; C440-M443 PolarHBondContact O-N 3.24Å; Y441-M443 PolarHBondContact O-N 3.29Å; M443-V447 HydrophobicContact CE-CG1 4.32Å; M443-V447 HydrophobicContact SD-CG2 4.13Å; M443-R452 HydrophobicContact CE-CB 3.83Å; M443-R452 HydrophobicContact CE-CG 3.57Å; M443-R452 WeakPolarHBondContact O-CD 3.47Å; M443-R452 PolarHBondContact O-NH1 3.43Å; M443-M456 HydrophobicContact CE-CB 3.7Å; M443-M456 HydrophobicContact CE-CE 4.44Å; M443-M456 HydrophobicContact CE-CG 4.03Å; M443-V459 HydrophobicContact SD-CB 4.28Å; M443-V459 HydrophobicContact SD-CG1 4.23Å; M443-V459 HydrophobicContact SD-CG2 4.11Å
444I67.4Low72.8Confident23 Ų2342.6 Ų42.612%0.11823%0.225CC..Hα-helixtrans-76.3-50.8-179.7-71.5168.1000110.9C440 Y441 L442 L491 I494 L537C440-I444 VanDerWaalsContact O-CB 3.3Å; C440-I444 WeakPolarHBondContact O-CB 3.19Å; C440-I444 WeakPolarHBondContact O-CD1 3.48Å; C440-I444 WeakPolarHBondContact O-CG1 3.49Å; C440-I444 PolarHBondContact O-N 3.13Å; Y441-I444 PolarHBondContact O-N 3.29Å; L442-I444 VanDerWaalsContact C-N 3.3Å; L442-I444 PolarHBondContact O-N 2.8Å; I444-L491 HydrophobicContact CD1-CD1 4.1Å; I444-L491 HydrophobicContact CG1-CD1 4.39Å; I444-I494 HydrophobicContact CD1-CB 4.5Å; I444-I494 HydrophobicContact CD1-CG2 3.77Å; I444-L537 HydrophobicContact CB-CD2 4.17Å; I444-L537 HydrophobicContact CG1-CD1 4.21Å; I444-L537 HydrophobicContact CG1-CD2 3.9Å; I444-L537 HydrophobicContact CG2-CD2 3.6Å
445F66.2Low72.7Confident95 Ų9547.4 Ų47.442%0.41725%0.246SC..Hα-helixtrans-98.7-13.8-167.5-64.6-70.7000115R402 Y441 F498R402-F445 HydrophobicContact CB-CB 3.98Å; Y441-F445 AromaticContact CD1-CD2 3.48Å; Y441-F445 HydrophobicContact CD1-CD2 3.48Å; Y441-F445 VanDerWaalsContact CD1-CD2 3.48Å; Y441-F445 AromaticContact CD1-CE2 3.58Å; Y441-F445 HydrophobicContact CD1-CE2 3.58Å; Y441-F445 AromaticContact CE1-CD2 3.91Å; Y441-F445 HydrophobicContact CE1-CD2 3.91Å; Y441-F445 AromaticContact CE1-CE2 3.59Å; Y441-F445 HydrophobicContact CE1-CE2 3.59Å; Y441-F445 HydrophobicContact CG-CD2 4.15Å; Y441-F445 HydrophobicContact CG-CE2 4.21Å; Y441-F445 WeakPolarHBondContact O-CD2 3.47Å; Y441-F445 PolarHBondContact O-N 3.35Å; F445-F498 HydrophobicContact CE2-CD2 4.27Å; F445-F498 HydrophobicContact CE2-CE2 4.09Å; F445-F498 HydrophobicContact CE2-CZ 4.43Å; F445-F498 HydrophobicContact CZ-CD1 4.13Å; F445-F498 AromaticContact CZ-CD2 3.88Å; F445-F498 HydrophobicContact CZ-CD2 3.88Å; F445-F498 HydrophobicContact CZ-CE1 4.23Å; F445-F498 HydrophobicContact CZ-CE2 4.01Å; F445-F498 AromaticContact CZ-CG 3.99Å; F445-F498 HydrophobicContact CZ-CG 3.99Å; F445-F498 HydrophobicContact CZ-CZ 4.21Å
446S70.9Confident72.5Confident39 Ų3948.9 Ų48.927%0.27325%0.253SS..THydrogen-bonded Turntrans-126.4-11.8-167.5-460000114.9R402 A403 L442R402-S446 VanDerWaalsContact CA-OG 3.23Å; R402-S446 WeakPolarHBondContact CA-OG 3.46Å; A403-S446 PolarHBondContact N-OG 2.81Å; L442-S446 WeakPolarHBondContact O-CA 3.3Å; L442-S446 WeakPolarHBondContact O-CB 3.4Å; L442-S446 PolarHBondContact O-N 3.08Å; L442-S446 PolarHBondContact O-OG 3.01Å
447V67.4Low72.6Confident31 Ų3152.7 Ų52.719%0.18827%0.27CS..SBendtrans-119125.7-174.5-1750000109.9L442 M443 L451 R452L442-V447 HydrophobicContact CG-CG2 4.46Å; L442-V447 PolarHBondContact O-N 3.22Å; M443-V447 HydrophobicContact CE-CG1 4.32Å; M443-V447 HydrophobicContact SD-CG2 4.13Å; V447-L451 HydrophobicContact CG1-CB 3.95Å; V447-L451 HydrophobicContact CG1-CD2 4.14Å; V447-L451 HydrophobicContact CG1-CG 4.24Å; V447-R452 HydrophobicContact CB-CB 4.44Å; V447-R452 HydrophobicContact CG1-CB 3.93Å
448N62.3Low73Confident112 Ų11254.3 Ų54.360%0.59928%0.28SS*.  trans-61.9155.2177.175.235000112G450 L451 R452N448-G450 VanDerWaalsContact C-N 3.31Å; N448-G450 PolarHBondContact O-N 2.88Å; N448-G450 PolarHBondContact OD1-N 3.14Å; N448-L451 PolarHBondContact O-N 3.33Å; N448-L451 VanDerWaalsContact OD1-CB 3.25Å; N448-L451 WeakPolarHBondContact OD1-CB 3.14Å; N448-L451 PolarHBondContact OD1-N 3.49Å; N448-R452 VanDerWaalsContact O-CB 3.27Å; N448-R452 WeakPolarHBondContact O-CB 3.19Å; N448-R452 PolarHBondContact O-N 2.73Å
449I52.7Low72.9Confident55 Ų5555.8 Ų55.828%0.28229%0.289SS..Hα-helixtrans-58.5-38.6-172.1-167.4162.5000113.6R453I449-R453 HydrophobicContact CG1-CG 4.25Å; I449-R453 WeakPolarHBondContact O-CB 3.09Å; I449-R453 WeakPolarHBondContact O-CG 3.3Å; I449-R453 PolarHBondContact O-N 3.46Å
450G56.9Low72.9Confident45 Ų4555.1 Ų55.146%0.46429%0.286SS..Hα-helixtrans-67.4-45.2-178.400000112.6N448 S454N448-G450 VanDerWaalsContact C-N 3.31Å; N448-G450 PolarHBondContact O-N 2.88Å; N448-G450 PolarHBondContact OD1-N 3.14Å; G450-S454 WeakPolarHBondContact O-CB 3.42Å; G450-S454 PolarHBondContact O-N 3.5Å; G450-S454 PolarHBondContact O-OG 2.89Å
451L67.4Low73.4Confident92 Ų9259 Ų5948%0.48230%0.3SS..Hα-helixtrans-70.5-40176.6-164.569.1000110.9V447 N448 S454 K455V447-L451 HydrophobicContact CG1-CB 3.95Å; V447-L451 HydrophobicContact CG1-CD2 4.14Å; V447-L451 HydrophobicContact CG1-CG 4.24Å; N448-L451 PolarHBondContact O-N 3.33Å; N448-L451 VanDerWaalsContact OD1-CB 3.25Å; N448-L451 WeakPolarHBondContact OD1-CB 3.14Å; N448-L451 PolarHBondContact OD1-N 3.49Å; L451-S454 PolarHBondContact O-N 3.24Å; L451-S454 PolarHBondContact O-OG 3.33Å; L451-K455 HydrophobicContact CD1-CG 3.78Å; L451-K455 HydrophobicContact CG-CG 4.23Å; L451-K455 WeakPolarHBondContact O-CA 3.25Å; L451-K455 VanDerWaalsContact O-CB 3.22Å; L451-K455 WeakPolarHBondContact O-CB 3.42Å; L451-K455 PolarHBondContact O-N 3.21Å
452R65.7Low74.1Confident17 Ų1762 Ų626%0.06432%0.316CS..Hα-helixtrans-58.5-55.6175.7174.6171.679.5-156.5-3.8111.6M443 V447 N448 S454 K455 M456 L537M443-R452 HydrophobicContact CE-CB 3.83Å; M443-R452 HydrophobicContact CE-CG 3.57Å; M443-R452 WeakPolarHBondContact O-CD 3.47Å; M443-R452 PolarHBondContact O-NH1 3.43Å; V447-R452 HydrophobicContact CB-CB 4.44Å; V447-R452 HydrophobicContact CG1-CB 3.93Å; N448-R452 VanDerWaalsContact O-CB 3.27Å; N448-R452 WeakPolarHBondContact O-CB 3.19Å; N448-R452 PolarHBondContact O-N 2.73Å; R452-S454 VanDerWaalsContact C-N 3.28Å; R452-S454 PolarHBondContact O-N 3.19Å; R452-K455 PolarHBondContact O-N 2.91Å; R452-M456 HydrophobicContact CG-CE 3.37Å; R452-M456 WeakPolarHBondContact O-CB 3.28Å; R452-M456 PolarHBondContact O-N 3.5Å; R452-L537 VanDerWaalsContact NH2-CB 3.26Å; R452-L537 PolarHBondContact NH2-O 2.75Å
453R61.3Low74.4Confident155 Ų15562.8 Ų62.859%0.58532%0.316SS*.Hα-helixtrans-57.5-41179.5-77.2-179.9169.4174.4-2.7112.1I449 E527 S536I449-R453 HydrophobicContact CG1-CG 4.25Å; I449-R453 WeakPolarHBondContact O-CB 3.09Å; I449-R453 WeakPolarHBondContact O-CG 3.3Å; I449-R453 PolarHBondContact O-N 3.46Å; R453-E527 IonicContact NH2-OE1 2.72Å; R453-S536 PolarHBondContact NH2-OG 3Å
454S71Confident75Confident71 Ų7163.6 Ų63.650%0.49732%0.32SS..Hα-helixtrans-84.3-20.7-176.161.80000114.8G450 L451 R452G450-S454 WeakPolarHBondContact O-CB 3.42Å; G450-S454 PolarHBondContact O-N 3.5Å; G450-S454 PolarHBondContact O-OG 2.89Å; L451-S454 PolarHBondContact O-N 3.24Å; L451-S454 PolarHBondContact O-OG 3.33Å; R452-S454 VanDerWaalsContact C-N 3.28Å; R452-S454 PolarHBondContact O-N 3.19Å
455K79Confident76.2Confident103 Ų10367.3 Ų67.345%0.44834%0.337SS..Hα-helixtrans-125.6-6.8-171.7-56-63.6-179.6-178.70115.7L451 R452 K457 N458 V459L451-K455 HydrophobicContact CD1-CG 3.78Å; L451-K455 HydrophobicContact CG-CG 4.23Å; L451-K455 WeakPolarHBondContact O-CA 3.25Å; L451-K455 VanDerWaalsContact O-CB 3.22Å; L451-K455 WeakPolarHBondContact O-CB 3.42Å; L451-K455 PolarHBondContact O-N 3.21Å; R452-K455 PolarHBondContact O-N 2.91Å; K455-K457 PolarHBondContact O-N 2.92Å; K455-N458 CarbonylContact O-C 3.57Å; K455-N458 VanDerWaalsContact O-CA 3.3Å; K455-N458 WeakPolarHBondContact O-CA 3.25Å; K455-N458 VanDerWaalsContact O-CB 3.27Å; K455-N458 WeakPolarHBondContact O-CB 3.48Å; K455-N458 PolarHBondContact O-N 3.43Å; K455-V459 PolarHBondContact O-N 2.91Å
456M81Confident77.3Confident39 Ų3966.3 Ų66.319%0.19233%0.334CS..Hα-helixtrans-49.9-53.2-177.4-177.4-176.5-60.300113.4M443 R452 N458 V459 V460 W484 F487 L491M443-M456 HydrophobicContact CE-CB 3.7Å; M443-M456 HydrophobicContact CE-CE 4.44Å; M443-M456 HydrophobicContact CE-CG 4.03Å; R452-M456 HydrophobicContact CG-CE 3.37Å; R452-M456 WeakPolarHBondContact O-CB 3.28Å; R452-M456 PolarHBondContact O-N 3.5Å; M456-N458 PolarHBondContact O-N 3.26Å; M456-V459 PolarHBondContact O-N 3.19Å; M456-V459 VanDerWaalsContact O-N 3.11Å; M456-V460 PolarHBondContact O-N 3.15Å; M456-V460 VanDerWaalsContact O-N 3.08Å; M456-W484 HydrophobicContact CG-CH2 4.23Å; M456-W484 HydrophobicContact CG-CZ3 4.4Å; M456-W484 HydrophobicContact SD-CH2 4.34Å; M456-F487 HydrophobicContact CG-CE1 3.75Å; M456-F487 HydrophobicContact CG-CZ 3.91Å; M456-F487 HydrophobicContact SD-CE1 3.65Å; M456-F487 HydrophobicContact SD-CZ 4.03Å; M456-L491 HydrophobicContact SD-CD2 4.21Å
457K85.8Confident78Confident81 Ų8166.2 Ų66.235%0.35233%0.329SS..Hα-helixtrans-62.9-27.9176.9-165.4164.1-174.1161.50113K455 R461 F480 W484K455-K457 PolarHBondContact O-N 2.92Å; K457-R461 VanDerWaalsContact O-CB 3.25Å; K457-R461 WeakPolarHBondContact O-CB 3.36Å; K457-R461 PolarHBondContact O-N 3.43Å; K457-F480 HydrophobicContact CG-CE1 4.39Å; K457-F480 HydrophobicContact CG-CZ 3.84Å; K457-W484 HydrophobicContact CB-CE3 4.33Å; K457-W484 HydrophobicContact CB-CH2 3.8Å; K457-W484 HydrophobicContact CB-CZ2 4.26Å; K457-W484 HydrophobicContact CB-CZ3 3.84Å; K457-W484 HydrophobicContact CD-CD2 4.17Å; K457-W484 HydrophobicContact CD-CH2 4.42Å; K457-W484 HydrophobicContact CD-CZ2 4.04Å; K457-W484 HydrophobicContact CG-CD2 4.02Å; K457-W484 HydrophobicContact CG-CE3 3.89Å; K457-W484 HydrophobicContact CG-CH2 4.07Å; K457-W484 HydrophobicContact CG-CZ2 4.18Å; K457-W484 HydrophobicContact CG-CZ3 3.92Å
458N87.5Confident78.9Confident72 Ų7268.7 Ų68.739%0.38534%0.337SS..Hα-helixtrans-75.5-35.8175.5-59.8-22.8000112.1K455 M456 R461 H462K455-N458 CarbonylContact O-C 3.57Å; K455-N458 VanDerWaalsContact O-CA 3.3Å; K455-N458 WeakPolarHBondContact O-CA 3.25Å; K455-N458 VanDerWaalsContact O-CB 3.27Å; K455-N458 WeakPolarHBondContact O-CB 3.48Å; K455-N458 PolarHBondContact O-N 3.43Å; M456-N458 PolarHBondContact O-N 3.26Å; N458-R461 PolarHBondContact O-N 2.94Å; N458-R461 PolarHBondContact OD1-NH1 3.06Å; N458-H462 WeakPolarHBondContact O-CB 3.22Å; N458-H462 PolarHBondContact O-N 3.42Å
459V85.3Confident80.2Confident50 Ų5071 Ų7130%0.30334%0.342SS..Hα-helixtrans-63.8-49.4174.1174.90000109.9I439 M443 K455 M456 R461 H462 Y463I439-V459 HydrophobicContact CG2-CG1 4.26Å; M443-V459 HydrophobicContact SD-CB 4.28Å; M443-V459 HydrophobicContact SD-CG1 4.23Å; M443-V459 HydrophobicContact SD-CG2 4.11Å; K455-V459 PolarHBondContact O-N 2.91Å; M456-V459 PolarHBondContact O-N 3.19Å; M456-V459 VanDerWaalsContact O-N 3.11Å; V459-R461 VanDerWaalsContact C-N 3.31Å; V459-R461 PolarHBondContact O-N 2.93Å; V459-H462 WeakPolarHBondContact O-CB 3.23Å; V459-H462 PolarHBondContact O-N 3.08Å; V459-H462 VanDerWaalsContact O-N 3.15Å; V459-Y463 PolarHBondContact O-N 3.08Å
460V88.1Confident81.8Confident0 Ų074.8 Ų74.80%036%0.362CS..Hα-helixtrans-62.3-39.5176.5-178.90000111.3F435 I439 M456 H462 Y463 F464 F480 V483 W484 F487F435-V460 HydrophobicContact CE2-CG1 4.5Å; I439-V460 HydrophobicContact CG2-CG2 4.18Å; M456-V460 PolarHBondContact O-N 3.15Å; M456-V460 VanDerWaalsContact O-N 3.08Å; V460-H462 PolarHBondContact O-N 3Å; V460-Y463 WeakPolarHBondContact O-CB 3.45Å; V460-Y463 PolarHBondContact O-N 3.47Å; V460-F464 PolarHBondContact O-N 3.25Å; V460-F480 HydrophobicContact CG1-CE2 4.32Å; V460-V483 HydrophobicContact CG1-CG1 4.06Å; V460-W484 HydrophobicContact CB-CE3 3.93Å; V460-W484 HydrophobicContact CB-CZ3 4.09Å; V460-W484 HydrophobicContact CG1-CE3 4Å; V460-W484 HydrophobicContact CG2-CE3 4.06Å; V460-W484 HydrophobicContact CG2-CZ3 3.81Å; V460-F487 HydrophobicContact CG1-CB 4.42Å; V460-F487 HydrophobicContact CG2-CB 4.42Å; V460-F487 HydrophobicContact CG2-CD1 3.93Å; V460-F487 HydrophobicContact CG2-CD2 3.84Å; V460-F487 HydrophobicContact CG2-CE1 4.14Å; V460-F487 HydrophobicContact CG2-CE2 4.06Å; V460-F487 HydrophobicContact CG2-CG 3.77Å; V460-F487 HydrophobicContact CG2-CZ 4.2Å
461R91.3Very high83.1Confident80 Ų8075.1 Ų75.130%0.30236%0.355SS..Hα-helixtrans-64.9-39.6174.9-169.6179.9-60.1104.6-3.6112.4K457 N458 V459 F464 Q465 F480K457-R461 VanDerWaalsContact O-CB 3.25Å; K457-R461 WeakPolarHBondContact O-CB 3.36Å; K457-R461 PolarHBondContact O-N 3.43Å; N458-R461 PolarHBondContact O-N 2.94Å; N458-R461 PolarHBondContact OD1-NH1 3.06Å; V459-R461 VanDerWaalsContact C-N 3.31Å; V459-R461 PolarHBondContact O-N 2.93Å; R461-F464 PolarHBondContact O-N 2.85Å; R461-Q465 VanDerWaalsContact O-CG 3.3Å; R461-Q465 WeakPolarHBondContact O-CG 3.39Å; R461-Q465 PolarHBondContact O-N 2.94Å; R461-F480 VanDerWaalsContact CA-CE2 3.42Å; R461-F480 HydrophobicContact CB-CD2 4.14Å; R461-F480 HydrophobicContact CB-CE2 3.53Å; R461-F480 HydrophobicContact CB-CZ 3.92Å; R461-F480 HydrophobicContact CG-CD2 4.12Å; R461-F480 HydrophobicContact CG-CE2 3.97Å; R461-F480 HydrophobicContact CG-CZ 4.36Å
462H89.9Confident83.8Confident102 Ų10273.5 Ų73.547%0.47235%0.35SS..Hα-helixtrans-64.7-45.2176.3-170.279.1000110.7N458 V459 V460 F464 Q465 Q466N458-H462 WeakPolarHBondContact O-CB 3.22Å; N458-H462 PolarHBondContact O-N 3.42Å; V459-H462 WeakPolarHBondContact O-CB 3.23Å; V459-H462 PolarHBondContact O-N 3.08Å; V459-H462 VanDerWaalsContact O-N 3.15Å; V460-H462 PolarHBondContact O-N 3Å; H462-F464 VanDerWaalsContact C-N 3.34Å; H462-F464 PolarHBondContact O-N 3.36Å; H462-Q465 PolarHBondContact O-N 3.4Å; H462-Q465 VanDerWaalsContact O-N 3.14Å; H462-Q466 PolarHBondContact CE1-NE2 3.39Å; H462-Q466 PolarHBondContact NE2-NE2 2.97Å; H462-Q466 WeakPolarHBondContact O-CG 3.35Å; H462-Q466 PolarHBondContact O-N 2.85Å
463Y88.3Confident84.4Confident53 Ų5377.8 Ų77.821%0.20838%0.383CS..Hα-helixtrans-53.8-50.6172.8174.5-93000111.3M392 F435 I439 V459 V460 Q465 Q466 M467M392-Y463 HydrophobicContact CE-CE1 4.01Å; F435-Y463 HydrophobicContact CB-CE1 3.78Å; F435-Y463 HydrophobicContact CB-CE2 4.35Å; F435-Y463 VanDerWaalsContact CB-CZ 3.49Å; F435-Y463 WeakPolarHBondContact CB-OH 3.43Å; F435-Y463 HydrophobicContact CD1-CE1 4.26Å; F435-Y463 AromaticContact CD2-CD1 3.5Å; F435-Y463 HydrophobicContact CD2-CD1 3.5Å; F435-Y463 AromaticContact CD2-CE1 3.12Å; F435-Y463 HydrophobicContact CD2-CE1 3.12Å; F435-Y463 HydrophobicContact CD2-CE2 4.42Å; F435-Y463 HydrophobicContact CD2-CG 4.31Å; F435-Y463 AromaticContact CD2-CZ 3.67Å; F435-Y463 AromaticContact CE2-CD1 3.83Å; F435-Y463 HydrophobicContact CE2-CD1 3.83Å; F435-Y463 AromaticContact CE2-CE1 3.8Å; F435-Y463 HydrophobicContact CE2-CE1 3.8Å; F435-Y463 HydrophobicContact CG-CD1 4.26Å; F435-Y463 AromaticContact CG-CE1 3.42Å; F435-Y463 HydrophobicContact CG-CE1 3.42Å; F435-Y463 VanDerWaalsContact CG-CE1 3.42Å; F435-Y463 AromaticContact CG-CZ 3.72Å; I439-Y463 HydrophobicContact CD1-CD1 4.03Å; I439-Y463 HydrophobicContact CD1-CD2 3.91Å; I439-Y463 HydrophobicContact CD1-CG 3.64Å; V459-Y463 PolarHBondContact O-N 3.08Å; V460-Y463 WeakPolarHBondContact O-CB 3.45Å; V460-Y463 PolarHBondContact O-N 3.47Å; Y463-Q465 VanDerWaalsContact C-N 3.33Å; Y463-Q465 PolarHBondContact O-N 3.24Å; Y463-Q466 PolarHBondContact O-N 3.12Å; Y463-M467 HydrophobicContact CD1-CG 4.18Å; Y463-M467 HydrophobicContact CD2-CG 4.44Å; Y463-M467 HydrophobicContact CE1-CG 3.63Å; Y463-M467 HydrophobicContact CE2-CG 3.94Å; Y463-M467 HydrophobicContact CE2-SD 4.29Å; Y463-M467 VanDerWaalsContact CZ-CG 3.47Å; Y463-M467 WeakPolarHBondContact O-CG 3.22Å; Y463-M467 PolarHBondContact O-N 2.89Å
464F89.1Confident85Confident21 Ų2173.9 Ų73.99%0.09237%0.373CS..Hα-helixtrans-56-44.6175.9175.4-108.3000112.6V460 R461 H462 M467 K468 M475 I478 F480 V483V460-F464 PolarHBondContact O-N 3.25Å; R461-F464 PolarHBondContact O-N 2.85Å; H462-F464 VanDerWaalsContact C-N 3.34Å; H462-F464 PolarHBondContact O-N 3.36Å; F464-M467 PolarHBondContact O-N 3.06Å; F464-K468 HydrophobicContact CZ-CD 4.5Å; F464-K468 WeakPolarHBondContact O-CB 3.42Å; F464-K468 PolarHBondContact O-N 3.02Å; F464-M475 HydrophobicContact CD2-CE 3.3Å; F464-M475 HydrophobicContact CE2-CE 3.45Å; F464-M475 VanDerWaalsContact CE2-CE 3.45Å; F464-M475 HydrophobicContact CG-CE 4.43Å; F464-I478 HydrophobicContact CE2-CG2 4.31Å; F464-I478 WeakPolarHBondContact CE2-O 3.42Å; F464-I478 VanDerWaalsContact CZ-O 3.28Å; F464-I478 WeakPolarHBondContact CZ-O 3.46Å; F464-F480 HydrophobicContact CB-CD2 4.22Å; F464-F480 HydrophobicContact CD1-CB 3.95Å; F464-F480 HydrophobicContact CD1-CD2 4.22Å; F464-F480 HydrophobicContact CE1-CB 3.92Å; F464-F480 HydrophobicContact CG-CB 4.47Å; F464-F480 HydrophobicContact CG-CD2 4.29Å; F464-F480 HydrophobicContact CZ-CB 4.41Å; F464-V483 HydrophobicContact CB-CG1 4.45Å; F464-V483 HydrophobicContact CD2-CB 4.34Å; F464-V483 HydrophobicContact CD2-CG2 3.76Å; F464-V483 HydrophobicContact CE2-CG2 4.14Å
465Q92.4Very high85.5Confident101 Ų10170.6 Ų70.647%0.47235%0.349SS..Hα-helixtrans-66.3-37.3178.3-73.2173.2-10.400113R461 H462 Y463 K468 K469R461-Q465 VanDerWaalsContact O-CG 3.3Å; R461-Q465 WeakPolarHBondContact O-CG 3.39Å; R461-Q465 PolarHBondContact O-N 2.94Å; H462-Q465 PolarHBondContact O-N 3.4Å; H462-Q465 VanDerWaalsContact O-N 3.14Å; Y463-Q465 VanDerWaalsContact C-N 3.33Å; Y463-Q465 PolarHBondContact O-N 3.24Å; Q465-K468 PolarHBondContact O-N 3.47Å; Q465-K469 PolarHBondContact O-N 2.86Å; Q465-K469 VanDerWaalsContact O-N 3.13Å
466Q90.7Very high85.5Confident74 Ų7470.8 Ų70.835%0.34636%0.355SS..Hα-helixtrans-69.4-45.2176.1-66.3-59.2-1900111.1H462 Y463 K468 K469 L470H462-Q466 PolarHBondContact CE1-NE2 3.39Å; H462-Q466 PolarHBondContact NE2-NE2 2.97Å; H462-Q466 WeakPolarHBondContact O-CG 3.35Å; H462-Q466 PolarHBondContact O-N 2.85Å; Y463-Q466 PolarHBondContact O-N 3.12Å; Q466-K468 VanDerWaalsContact C-N 3.25Å; Q466-K468 PolarHBondContact O-N 2.89Å; Q466-K469 WeakPolarHBondContact O-CB 3.48Å; Q466-K469 PolarHBondContact O-N 3.39Å; Q466-L470 WeakPolarHBondContact O-CG 3.26Å; Q466-L470 PolarHBondContact O-N 2.79Å
467M85.5Confident85.1Confident37 Ų3774.2 Ų74.218%0.18238%0.383CS..Hα-helixtrans-58-41.2173.8-73.3-60.8-73.100111.2M392 Y463 F464 K469 L470 V471 M475M392-M467 HydrophobicContact CE-CE 3.83Å; M392-M467 HydrophobicContact CE-CG 4.4Å; Y463-M467 HydrophobicContact CD1-CG 4.18Å; Y463-M467 HydrophobicContact CD2-CG 4.44Å; Y463-M467 HydrophobicContact CE1-CG 3.63Å; Y463-M467 HydrophobicContact CE2-CG 3.94Å; Y463-M467 HydrophobicContact CE2-SD 4.29Å; Y463-M467 VanDerWaalsContact CZ-CG 3.47Å; Y463-M467 WeakPolarHBondContact O-CG 3.22Å; Y463-M467 PolarHBondContact O-N 2.89Å; F464-M467 PolarHBondContact O-N 3.06Å; M467-K469 VanDerWaalsContact C-N 3.3Å; M467-K469 PolarHBondContact O-N 3.49Å; M467-L470 PolarHBondContact O-N 3.31Å; M467-V471 PolarHBondContact O-N 3.17Å; M467-M475 HydrophobicContact CB-CE 3.84Å; M467-M475 HydrophobicContact CB-CG 4.02Å; M467-M475 HydrophobicContact CB-SD 4Å
468K86.4Confident84.6Confident82 Ų8271.1 Ų71.136%0.35737%0.37SS..Hα-helixtrans-64.4-31.5176.4-167166.7-173.4161.50113.5F464 Q465 Q466 P472 M475 D476F464-K468 HydrophobicContact CZ-CD 4.5Å; F464-K468 WeakPolarHBondContact O-CB 3.42Å; F464-K468 PolarHBondContact O-N 3.02Å; Q465-K468 PolarHBondContact O-N 3.47Å; Q466-K468 VanDerWaalsContact C-N 3.25Å; Q466-K468 PolarHBondContact O-N 2.89Å; K468-P472 WeakPolarHBondContact O-CA 3.49Å; K468-P472 WeakPolarHBondContact O-CB 3.47Å; K468-M475 HydrophobicContact CB-CB 3.98Å; K468-M475 HydrophobicContact CG-CB 4.04Å; K468-D476 WeakPolarHBondContact CE-OD1 3.48Å; K468-D476 IonicContact NZ-OD1 3.42Å; K468-D476 PolarHBondContact NZ-OD1 3.4Å
469K88.1Confident84.2Confident162 Ų16270.1 Ų70.170%0.70437%0.369SS*.Hα-helixtrans-75-41.8173-77.8-177.3176.8-178.80112.9Q465 Q466 M467Q465-K469 PolarHBondContact O-N 2.86Å; Q465-K469 VanDerWaalsContact O-N 3.13Å; Q466-K469 WeakPolarHBondContact O-CB 3.48Å; Q466-K469 PolarHBondContact O-N 3.39Å; M467-K469 VanDerWaalsContact C-N 3.3Å; M467-K469 PolarHBondContact O-N 3.49Å
470L87.5Confident84.2Confident134 Ų13469.3 Ų69.370%0.70236%0.362SS*.Hα-helixtrans-76.1-37.1-175.2-70.3173.7000112Q466 M467Q466-L470 WeakPolarHBondContact O-CG 3.26Å; Q466-L470 PolarHBondContact O-N 2.79Å; M467-L470 PolarHBondContact O-N 3.31Å
471V83.6Confident83.7Confident51 Ų5174.5 Ų74.531%0.30939%0.389SS..  trans-137.662.2-174.3-155.60000111.2M467 S473 I474 M475M467-V471 PolarHBondContact O-N 3.17Å; V471-S473 VanDerWaalsContact C-N 3.26Å; V471-S473 PolarHBondContact O-N 3.43Å; V471-I474 HydrophobicContact CG1-CB 4.16Å; V471-I474 HydrophobicContact CG1-CD1 3.7Å; V471-I474 HydrophobicContact CG1-CG1 3.83Å; V471-I474 PolarHBondContact O-N 3.26Å; V471-M475 WeakPolarHBondContact O-CG 3.48Å; V471-M475 PolarHBondContact O-N 2.6Å
472P82.4Confident82.6Confident59 Ų5972.8 Ų72.838%0.38339%0.39SS..Hα-helixtrans-59.7-35.5-175.221.1-31.3000113.1K468 I474 M475 D476K468-P472 WeakPolarHBondContact O-CA 3.49Å; K468-P472 WeakPolarHBondContact O-CB 3.47Å; P472-I474 PolarHBondContact O-N 2.82Å; P472-I474 VanDerWaalsContact O-N 3.11Å; P472-M475 PolarHBondContact O-N 3.42Å; P472-D476 WeakPolarHBondContact O-CB 3.34Å; P472-D476 PolarHBondContact O-N 2.82Å
473S77.5Confident82.1Confident107 Ų10768 Ų6875%0.74837%0.367SS*.Hα-helixtrans-57.2-27.9-179.955.20000114.1V471V471-S473 VanDerWaalsContact C-N 3.26Å; V471-S473 PolarHBondContact O-N 3.43Å
474I75.6Confident81.9Confident73 Ų7366.9 Ų66.937%0.37436%0.363SS..Hα-helixtrans-95.3-42.9177-59.8-178.4000110.4P393 V471 P472 D476 S477 I478P393-I474 HydrophobicContact CG-CD1 4.43Å; P393-I474 HydrophobicContact CG-CG2 3.9Å; V471-I474 HydrophobicContact CG1-CB 4.16Å; V471-I474 HydrophobicContact CG1-CD1 3.7Å; V471-I474 HydrophobicContact CG1-CG1 3.83Å; V471-I474 PolarHBondContact O-N 3.26Å; P472-I474 PolarHBondContact O-N 2.82Å; P472-I474 VanDerWaalsContact O-N 3.11Å; I474-D476 PolarHBondContact O-N 2.98Å; I474-S477 PolarHBondContact O-OG 3.21Å; I474-I478 HydrophobicContact CG2-CD1 4.34Å
475M79.8Confident81.2Confident1 Ų169.7 Ų69.71%0.00538%0.376CS..Hα-helixtrans-80.5-14.7-168.6-64.9-60.5-64.100114.5M392 F464 M467 K468 V471 P472 S477 I478M392-M475 HydrophobicContact CE-CE 4.32Å; M392-M475 HydrophobicContact CE-SD 4Å; F464-M475 HydrophobicContact CD2-CE 3.3Å; F464-M475 HydrophobicContact CE2-CE 3.45Å; F464-M475 VanDerWaalsContact CE2-CE 3.45Å; F464-M475 HydrophobicContact CG-CE 4.43Å; M467-M475 HydrophobicContact CB-CE 3.84Å; M467-M475 HydrophobicContact CB-CG 4.02Å; M467-M475 HydrophobicContact CB-SD 4Å; K468-M475 HydrophobicContact CB-CB 3.98Å; K468-M475 HydrophobicContact CG-CB 4.04Å; V471-M475 WeakPolarHBondContact O-CG 3.48Å; V471-M475 PolarHBondContact O-N 2.6Å; P472-M475 PolarHBondContact O-N 3.42Å; M475-S477 VanDerWaalsContact C-N 3.28Å; M475-S477 PolarHBondContact O-N 2.83Å; M475-I478 PolarHBondContact O-N 3.29Å; M475-I478 HydrophobicContact SD-CD1 4.01Å
476D79.6Confident80.2Confident107 Ų10765.6 Ų65.657%0.57236%0.357SS*.THydrogen-bonded Turntrans-66.6-26.1-179.3-85.5-26.8000113.9K468 P472 I474K468-D476 WeakPolarHBondContact CE-OD1 3.48Å; K468-D476 IonicContact NZ-OD1 3.42Å; K468-D476 PolarHBondContact NZ-OD1 3.4Å; P472-D476 WeakPolarHBondContact O-CB 3.34Å; P472-D476 PolarHBondContact O-N 2.82Å; I474-D476 PolarHBondContact O-N 2.98Å
477S73Confident79.7Confident111 Ų11162.1 Ų62.178%0.77634%0.341SS*.THydrogen-bonded Turntrans-87.4-6.2174.6570000114.1I474 M475I474-S477 PolarHBondContact O-OG 3.21Å; M475-S477 VanDerWaalsContact C-N 3.28Å; M475-S477 PolarHBondContact O-N 2.83Å
478I74.5Confident79.2Confident16 Ų1664.8 Ų64.88%0.08235%0.353CS..  trans-103.6129.2-173.5-57.8176000109.7V391 M392 F464 I474 M475 V483V391-I478 WeakPolarHBondContact O-CD1 3.45Å; V391-I478 WeakPolarHBondContact O-CG1 3.44Å; M392-I478 HydrophobicContact CB-CD1 4.16Å; M392-I478 HydrophobicContact CG-CD1 4.18Å; F464-I478 HydrophobicContact CE2-CG2 4.31Å; F464-I478 WeakPolarHBondContact CE2-O 3.42Å; F464-I478 VanDerWaalsContact CZ-O 3.28Å; F464-I478 WeakPolarHBondContact CZ-O 3.46Å; I474-I478 HydrophobicContact CG2-CD1 4.34Å; M475-I478 PolarHBondContact O-N 3.29Å; M475-I478 HydrophobicContact SD-CD1 4.01Å; I478-V483 HydrophobicContact CG2-CG2 3.61Å
479S80.3Confident78.3Confident52 Ų5265.8 Ų65.836%0.36436%0.357SS..  trans-86.1150.5175.186.20000111.7D481 S482 V483S479-D481 PolarHBondContact O-N 3.3Å; S479-D481 PolarHBondContact OG-N 2.99Å; S479-S482 WeakPolarHBondContact O-CB 3.3Å; S479-S482 PolarHBondContact O-N 2.86Å; S479-S482 PolarHBondContact OG-N 3.31Å; S479-S482 VanDerWaalsContact OG-N 3.12Å; S479-S482 PolarHBondContact OG-OG 2.82Å; S479-V483 PolarHBondContact O-N 3.36Å
480F83.5Confident77.3Confident33 Ų3359.2 Ų59.215%0.14533%0.331CS..Hα-helixtrans-59.6-35.1172.7168.8-106000112K457 V460 R461 F464 S482 V483 W484K457-F480 HydrophobicContact CG-CE1 4.39Å; K457-F480 HydrophobicContact CG-CZ 3.84Å; V460-F480 HydrophobicContact CG1-CE2 4.32Å; R461-F480 VanDerWaalsContact CA-CE2 3.42Å; R461-F480 HydrophobicContact CB-CD2 4.14Å; R461-F480 HydrophobicContact CB-CE2 3.53Å; R461-F480 HydrophobicContact CB-CZ 3.92Å; R461-F480 HydrophobicContact CG-CD2 4.12Å; R461-F480 HydrophobicContact CG-CE2 3.97Å; R461-F480 HydrophobicContact CG-CZ 4.36Å; F464-F480 HydrophobicContact CB-CD2 4.22Å; F464-F480 HydrophobicContact CD1-CB 3.95Å; F464-F480 HydrophobicContact CD1-CD2 4.22Å; F464-F480 HydrophobicContact CE1-CB 3.92Å; F464-F480 HydrophobicContact CG-CB 4.47Å; F464-F480 HydrophobicContact CG-CD2 4.29Å; F464-F480 HydrophobicContact CZ-CB 4.41Å; F480-S482 VanDerWaalsContact C-N 3.3Å; F480-S482 PolarHBondContact O-N 3.17Å; F480-V483 PolarHBondContact O-N 2.77Å; F480-W484 HydrophobicContact CE1-CB 4.33Å; F480-W484 HydrophobicContact CE2-CB 4.39Å; F480-W484 HydrophobicContact CZ-CB 4.12Å; F480-W484 HydrophobicContact CZ-CG 4.42Å; F480-W484 WeakPolarHBondContact O-CB 3.47Å; F480-W484 PolarHBondContact O-N 3.45Å
481D78.1Confident76.3Confident108 Ų10854.5 Ų54.558%0.57831%0.306SS*.Hα-helixtrans-64.8-36.4179.6-66.1-43.1000111.5S479 W484 H485S479-D481 PolarHBondContact O-N 3.3Å; S479-D481 PolarHBondContact OG-N 2.99Å; D481-W484 PolarHBondContact O-N 3.1Å; D481-H485 VanDerWaalsContact O-CB 3.26Å; D481-H485 WeakPolarHBondContact O-CB 3.42Å; D481-H485 PolarHBondContact O-N 3.35Å
482S69Low74.9Confident45 Ų4554.9 Ų54.932%0.31531%0.31SS..Hα-helixtrans-63.7-45173.7-52.30000111.9S479 F480 H485 I486S479-S482 WeakPolarHBondContact O-CB 3.3Å; S479-S482 PolarHBondContact O-N 2.86Å; S479-S482 PolarHBondContact OG-N 3.31Å; S479-S482 VanDerWaalsContact OG-N 3.12Å; S479-S482 PolarHBondContact OG-OG 2.82Å; F480-S482 VanDerWaalsContact C-N 3.3Å; F480-S482 PolarHBondContact O-N 3.17Å; S482-H485 PolarHBondContact O-N 3.41Å; S482-I486 WeakPolarHBondContact O-CG1 3.29Å; S482-I486 PolarHBondContact O-N 2.74Å
483V79.2Confident73.5Confident0 Ų061.8 Ų61.80%033%0.328CS..Hα-helixtrans-65.5-42.6177.3174.40000111.3M392 F435 V460 F464 I478 S479 F480 H485 I486 F487M392-V483 HydrophobicContact SD-CG2 4.29Å; F435-V483 HydrophobicContact CE1-CG1 3.99Å; F435-V483 HydrophobicContact CE2-CG1 3.81Å; F435-V483 HydrophobicContact CZ-CB 4.35Å; F435-V483 HydrophobicContact CZ-CG1 3.31Å; V460-V483 HydrophobicContact CG1-CG1 4.06Å; F464-V483 HydrophobicContact CB-CG1 4.45Å; F464-V483 HydrophobicContact CD2-CB 4.34Å; F464-V483 HydrophobicContact CD2-CG2 3.76Å; F464-V483 HydrophobicContact CE2-CG2 4.14Å; I478-V483 HydrophobicContact CG2-CG2 3.61Å; S479-V483 PolarHBondContact O-N 3.36Å; F480-V483 PolarHBondContact O-N 2.77Å; V483-H485 VanDerWaalsContact C-N 3.33Å; V483-H485 PolarHBondContact O-N 3.4Å; V483-I486 PolarHBondContact O-N 3.23Å; V483-F487 PolarHBondContact O-N 3.45Å; V483-F487 VanDerWaalsContact O-N 3.11Å
484W85Confident72.6Confident31 Ų3157.6 Ų57.612%0.11730%0.298CS..Hα-helixtrans-62.1-41.4175.1-179.8-107.6000111.6M456 K457 V460 F480 D481 F487 E488M456-W484 HydrophobicContact CG-CH2 4.23Å; M456-W484 HydrophobicContact CG-CZ3 4.4Å; M456-W484 HydrophobicContact SD-CH2 4.34Å; K457-W484 HydrophobicContact CB-CE3 4.33Å; K457-W484 HydrophobicContact CB-CH2 3.8Å; K457-W484 HydrophobicContact CB-CZ2 4.26Å; K457-W484 HydrophobicContact CB-CZ3 3.84Å; K457-W484 HydrophobicContact CD-CD2 4.17Å; K457-W484 HydrophobicContact CD-CH2 4.42Å; K457-W484 HydrophobicContact CD-CZ2 4.04Å; K457-W484 HydrophobicContact CG-CD2 4.02Å; K457-W484 HydrophobicContact CG-CE3 3.89Å; K457-W484 HydrophobicContact CG-CH2 4.07Å; K457-W484 HydrophobicContact CG-CZ2 4.18Å; K457-W484 HydrophobicContact CG-CZ3 3.92Å; V460-W484 HydrophobicContact CB-CE3 3.93Å; V460-W484 HydrophobicContact CB-CZ3 4.09Å; V460-W484 HydrophobicContact CG1-CE3 4Å; V460-W484 HydrophobicContact CG2-CE3 4.06Å; V460-W484 HydrophobicContact CG2-CZ3 3.81Å; F480-W484 HydrophobicContact CE1-CB 4.33Å; F480-W484 HydrophobicContact CE2-CB 4.39Å; F480-W484 HydrophobicContact CZ-CB 4.12Å; F480-W484 HydrophobicContact CZ-CG 4.42Å; F480-W484 WeakPolarHBondContact O-CB 3.47Å; F480-W484 PolarHBondContact O-N 3.45Å; D481-W484 PolarHBondContact O-N 3.1Å; W484-F487 HydrophobicContact CE3-CD1 4.1Å; W484-F487 HydrophobicContact CH2-CD1 4.14Å; W484-F487 HydrophobicContact CH2-CE1 4.2Å; W484-F487 AromaticContact CZ3-CD1 3.65Å; W484-F487 HydrophobicContact CZ3-CD1 3.65Å; W484-F487 AromaticContact CZ3-CE1 3.94Å; W484-F487 HydrophobicContact CZ3-CE1 3.94Å; W484-F487 PolarHBondContact O-N 2.79Å; W484-E488 HydrophobicContact CD2-CG 4.37Å; W484-E488 HydrophobicContact CZ2-CG 3.96Å; W484-E488 PolarHBondContact NE1-OE1 3.11Å; W484-E488 PolarHBondContact NE1-OE2 3.32Å; W484-E488 WeakPolarHBondContact O-CG 3.33Å; W484-E488 PolarHBondContact O-N 3.02Å
485H72.4Confident71.5Confident79 Ų7954.9 Ų54.937%0.36628%0.284SS..Hα-helixtrans-64.9-40.7177.8-168.964000112.8D481 S482 V483 F487 E488 K489D481-H485 VanDerWaalsContact O-CB 3.26Å; D481-H485 WeakPolarHBondContact O-CB 3.42Å; D481-H485 PolarHBondContact O-N 3.35Å; S482-H485 PolarHBondContact O-N 3.41Å; V483-H485 VanDerWaalsContact C-N 3.33Å; V483-H485 PolarHBondContact O-N 3.4Å; H485-F487 VanDerWaalsContact C-N 3.34Å; H485-F487 PolarHBondContact O-N 3.18Å; H485-E488 PolarHBondContact O-N 2.84Å; H485-K489 VanDerWaalsContact NE2-CE 3.31Å; H485-K489 WeakPolarHBondContact NE2-CE 3.3Å; H485-K489 PolarHBondContact O-N 3.04Å
486I72Confident70Confident15 Ų1560 Ų608%0.07731%0.311CS..Hα-helixtrans-58.7-48.6173-66.8164.3000109.8V391 M392 F435 A436 S482 V483 E488 K489 T490V391-I486 HydrophobicContact CB-CD1 4.05Å; V391-I486 HydrophobicContact CG1-CD1 3.92Å; M392-I486 HydrophobicContact CB-CD1 4.33Å; F435-I486 HydrophobicContact CE1-CB 4.31Å; F435-I486 HydrophobicContact CE1-CG2 3.98Å; A436-I486 HydrophobicContact CB-CG2 4.33Å; S482-I486 WeakPolarHBondContact O-CG1 3.29Å; S482-I486 PolarHBondContact O-N 2.74Å; V483-I486 PolarHBondContact O-N 3.23Å; I486-E488 PolarHBondContact O-N 3.35Å; I486-K489 PolarHBondContact O-N 3.47Å; I486-T490 PolarHBondContact O-N 3.45Å; I486-T490 PolarHBondContact O-OG1 3.27Å; I486-T490 VanDerWaalsContact O-OG1 3.11Å
487F81.2Confident68.5Low1 Ų160.9 Ų60.90%0.00432%0.315CS..Hα-helixtrans-59.4-44.6177.1176.9-92.1000112.6A436 I439 C440 M456 V460 V483 W484 H485 K489 T490 L491A436-F487 HydrophobicContact CB-CB 4.26Å; A436-F487 HydrophobicContact CB-CD2 4.12Å; I439-F487 HydrophobicContact CB-CD2 4.31Å; I439-F487 HydrophobicContact CB-CE2 3.99Å; I439-F487 HydrophobicContact CG2-CD2 4.13Å; I439-F487 HydrophobicContact CG2-CE2 3.56Å; I439-F487 HydrophobicContact CG2-CZ 4.36Å; C440-F487 WeakPolarHBondContact SG-CE2 3.27Å; M456-F487 HydrophobicContact CG-CE1 3.75Å; M456-F487 HydrophobicContact CG-CZ 3.91Å; M456-F487 HydrophobicContact SD-CE1 3.65Å; M456-F487 HydrophobicContact SD-CZ 4.03Å; V460-F487 HydrophobicContact CG1-CB 4.42Å; V460-F487 HydrophobicContact CG2-CB 4.42Å; V460-F487 HydrophobicContact CG2-CD1 3.93Å; V460-F487 HydrophobicContact CG2-CD2 3.84Å; V460-F487 HydrophobicContact CG2-CE1 4.14Å; V460-F487 HydrophobicContact CG2-CE2 4.06Å; V460-F487 HydrophobicContact CG2-CG 3.77Å; V460-F487 HydrophobicContact CG2-CZ 4.2Å; V483-F487 PolarHBondContact O-N 3.45Å; V483-F487 VanDerWaalsContact O-N 3.11Å; W484-F487 HydrophobicContact CE3-CD1 4.1Å; W484-F487 HydrophobicContact CH2-CD1 4.14Å; W484-F487 HydrophobicContact CH2-CE1 4.2Å; W484-F487 AromaticContact CZ3-CD1 3.65Å; W484-F487 HydrophobicContact CZ3-CD1 3.65Å; W484-F487 AromaticContact CZ3-CE1 3.94Å; W484-F487 HydrophobicContact CZ3-CE1 3.94Å; W484-F487 PolarHBondContact O-N 2.79Å; H485-F487 VanDerWaalsContact C-N 3.34Å; H485-F487 PolarHBondContact O-N 3.18Å; F487-K489 VanDerWaalsContact C-N 3.29Å; F487-K489 PolarHBondContact O-N 3.49Å; F487-T490 PolarHBondContact O-N 2.8Å; F487-L491 HydrophobicContact CE1-CD2 4.24Å; F487-L491 WeakPolarHBondContact O-CB 2.81Å; F487-L491 PolarHBondContact O-N 3.25Å
488E74.6Confident67.3Low93 Ų9357.6 Ų57.644%0.43529%0.287SS..Hα-helixtrans-61.8-34.2176.1-79.5-177.9148.900112.8W484 H485 I486 P492W484-E488 HydrophobicContact CD2-CG 4.37Å; W484-E488 HydrophobicContact CZ2-CG 3.96Å; W484-E488 PolarHBondContact NE1-OE1 3.11Å; W484-E488 PolarHBondContact NE1-OE2 3.32Å; W484-E488 WeakPolarHBondContact O-CG 3.33Å; W484-E488 PolarHBondContact O-N 3.02Å; H485-E488 PolarHBondContact O-N 2.84Å; I486-E488 PolarHBondContact O-N 3.35Å; E488-P492 WeakPolarHBondContact O-CD 3.4Å
489K67.1Low65.8Low103 Ų10358.7 Ų58.745%0.44830%0.298SS..Hα-helixtrans-76.7-34.3175.2-73.6-149.1175.6-178.90112.9H485 I486 F487 W493H485-K489 VanDerWaalsContact NE2-CE 3.31Å; H485-K489 WeakPolarHBondContact NE2-CE 3.3Å; H485-K489 PolarHBondContact O-N 3.04Å; I486-K489 PolarHBondContact O-N 3.47Å; F487-K489 VanDerWaalsContact C-N 3.29Å; F487-K489 PolarHBondContact O-N 3.49Å; K489-W493 VanDerWaalsContact O-CD1 3.3Å
490T66.3Low63.9Low24 Ų2459.1 Ų59.115%0.14730%0.3CS..Hα-helixtrans-74.5-37.9179.4-59.50000112.5A436 E437 I486 F487 W493 I494A436-T490 HydrophobicContact CB-CG2 3.9Å; E437-T490 HydrophobicContact CG-CG2 3.96Å; I486-T490 PolarHBondContact O-N 3.45Å; I486-T490 PolarHBondContact O-OG1 3.27Å; I486-T490 VanDerWaalsContact O-OG1 3.11Å; F487-T490 PolarHBondContact O-N 2.8Å; T490-W493 PolarHBondContact O-N 3.26Å; T490-W493 VanDerWaalsContact O-N 3.12Å; T490-I494 HydrophobicContact CG2-CG1 3.94Å; T490-I494 PolarHBondContact O-N 3.24Å; T490-I494 VanDerWaalsContact O-N 3.16Å
491L68.5Low61.9Low36 Ų3660.2 Ų60.219%0.18831%0.305CS..Hα-helixtrans-55.9-45.7-173.6178.969.1000114.4C440 I444 M456 F487 W493 T495C440-L491 HydrophobicContact CB-CD1 4.2Å; C440-L491 VanDerWaalsContact SG-CA 3.56Å; I444-L491 HydrophobicContact CD1-CD1 4.1Å; I444-L491 HydrophobicContact CG1-CD1 4.39Å; M456-L491 HydrophobicContact SD-CD2 4.21Å; F487-L491 HydrophobicContact CE1-CD2 4.24Å; F487-L491 WeakPolarHBondContact O-CB 2.81Å; F487-L491 PolarHBondContact O-N 3.25Å; L491-W493 PolarHBondContact O-N 3.47Å; L491-T495 WeakPolarHBondContact O-CB 3.33Å; L491-T495 PolarHBondContact O-N 3.34Å; L491-T495 PolarHBondContact O-OG1 3.21Å
492P53.7Low60.2Low59 Ų5957.1 Ų57.138%0.38329%0.288SS..Hα-helixtrans-60.7-41.6176.3-23.833.2000112.7E488 T495 L496E488-P492 WeakPolarHBondContact O-CD 3.4Å; P492-T495 PolarHBondContact O-N 2.84Å; P492-L496 WeakPolarHBondContact O-CB 3.4Å; P492-L496 PolarHBondContact O-N 2.97Å
493W53Low58.8Low203 Ų20358.7 Ų58.777%0.76930%0.295SS*.Hα-helixtrans-62.4-48.5-179.7-78.7102.3000111.9K489 T490 L491 T495 L496 L497K489-W493 VanDerWaalsContact O-CD1 3.3Å; T490-W493 PolarHBondContact O-N 3.26Å; T490-W493 VanDerWaalsContact O-N 3.12Å; L491-W493 PolarHBondContact O-N 3.47Å; W493-T495 VanDerWaalsContact C-N 3.31Å; W493-T495 PolarHBondContact O-N 3.18Å; W493-L496 PolarHBondContact O-N 3.44Å; W493-L497 PolarHBondContact O-N 3.34Å; W493-L497 VanDerWaalsContact O-N 3.12Å
494I58.2Low57Low20 Ų2064 Ų6410%0.10332%0.318CS..Hα-helixtrans-61.3-42.9175.3-60.9-63.1000110.1E437 C440 Y441 I444 T490 L496 L497 F498E437-I494 HydrophobicContact CG-CD1 4.5Å; C440-I494 HydrophobicContact CB-CB 4.3Å; C440-I494 HydrophobicContact CB-CG1 4.19Å; C440-I494 HydrophobicContact CB-CG2 4.25Å; Y441-I494 HydrophobicContact CD2-CG2 4.25Å; Y441-I494 HydrophobicContact CE2-CG2 4.35Å; I444-I494 HydrophobicContact CD1-CB 4.5Å; I444-I494 HydrophobicContact CD1-CG2 3.77Å; T490-I494 HydrophobicContact CG2-CG1 3.94Å; T490-I494 PolarHBondContact O-N 3.24Å; T490-I494 VanDerWaalsContact O-N 3.16Å; I494-L496 PolarHBondContact O-N 2.99Å; I494-L497 VanDerWaalsContact O-CB 3.3Å; I494-L497 WeakPolarHBondContact O-CB 3.08Å; I494-L497 PolarHBondContact O-N 3.2Å; I494-F498 HydrophobicContact CG2-CD2 4.35Å; I494-F498 HydrophobicContact CG2-CE2 4.06Å; I494-F498 WeakPolarHBondContact O-CD2 3.4Å
495T52.7Low54.9Low15 Ų1563.7 Ų63.79%0.09232%0.32CS..Hα-helixtrans-63.5-42.4178.8-550000112.6L491 P492 W493 L497 F498 A499 M535 L537L491-T495 WeakPolarHBondContact O-CB 3.33Å; L491-T495 PolarHBondContact O-N 3.34Å; L491-T495 PolarHBondContact O-OG1 3.21Å; P492-T495 PolarHBondContact O-N 2.84Å; W493-T495 VanDerWaalsContact C-N 3.31Å; W493-T495 PolarHBondContact O-N 3.18Å; T495-L497 VanDerWaalsContact C-N 3.28Å; T495-L497 PolarHBondContact O-N 2.8Å; T495-F498 CarbonylContact O-C 3.6Å; T495-F498 PolarHBondContact O-N 2.75Å; T495-F498 VanDerWaalsContact O-N 3.09Å; T495-A499 PolarHBondContact O-N 3.45Å; T495-M535 HydrophobicContact CG2-SD 4.47Å; T495-L537 HydrophobicContact CG2-CD1 3.58Å; T495-L537 HydrophobicContact CG2-CG 4.19Å
496L48.1Very low53.5Low108 Ų10861.4 Ų61.457%0.56531%0.312SS*.Hα-helixtrans-67-30.7-179.7-125.4132.5000112.2P492 W493 I494 F498 P500P492-L496 WeakPolarHBondContact O-CB 3.4Å; P492-L496 PolarHBondContact O-N 2.97Å; W493-L496 PolarHBondContact O-N 3.44Å; I494-L496 PolarHBondContact O-N 2.99Å; L496-F498 PolarHBondContact O-N 2.93Å; L496-P500 VanDerWaalsContact O-CD 3.31Å; L496-P500 WeakPolarHBondContact O-CD 3.38Å
497L47.6Very low52Low126 Ų12662.1 Ų62.166%0.6632%0.315SS*.Hα-helixtrans-57-35.3171.8-13492.2000111.3W493 I494 T495W493-L497 PolarHBondContact O-N 3.34Å; W493-L497 VanDerWaalsContact O-N 3.12Å; I494-L497 VanDerWaalsContact O-CB 3.3Å; I494-L497 WeakPolarHBondContact O-CB 3.08Å; I494-L497 PolarHBondContact O-N 3.2Å; T495-L497 VanDerWaalsContact C-N 3.28Å; T495-L497 PolarHBondContact O-N 2.8Å
498F48.5Very low50Low42 Ų4265.3 Ų65.318%0.18434%0.336CS..Hα-helixtrans-105.7-13.8-175.3-60.9-69.3000115.2Y441 F445 I494 T495 L496 P500 F501Y441-F498 HydrophobicContact CE2-CE2 4.2Å; Y441-F498 HydrophobicContact CE2-CZ 4.35Å; Y441-F498 AromaticContact CZ-CZ 3.81Å; Y441-F498 VanDerWaalsContact OH-CZ 3.25Å; Y441-F498 WeakPolarHBondContact OH-CZ 3.49Å; F445-F498 HydrophobicContact CE2-CD2 4.27Å; F445-F498 HydrophobicContact CE2-CE2 4.09Å; F445-F498 HydrophobicContact CE2-CZ 4.43Å; F445-F498 HydrophobicContact CZ-CD1 4.13Å; F445-F498 AromaticContact CZ-CD2 3.88Å; F445-F498 HydrophobicContact CZ-CD2 3.88Å; F445-F498 HydrophobicContact CZ-CE1 4.23Å; F445-F498 HydrophobicContact CZ-CE2 4.01Å; F445-F498 AromaticContact CZ-CG 3.99Å; F445-F498 HydrophobicContact CZ-CG 3.99Å; F445-F498 HydrophobicContact CZ-CZ 4.21Å; I494-F498 HydrophobicContact CG2-CD2 4.35Å; I494-F498 HydrophobicContact CG2-CE2 4.06Å; I494-F498 WeakPolarHBondContact O-CD2 3.4Å; T495-F498 CarbonylContact O-C 3.6Å; T495-F498 PolarHBondContact O-N 2.75Å; T495-F498 VanDerWaalsContact O-N 3.09Å; L496-F498 PolarHBondContact O-N 2.93Å; F498-P500 VanDerWaalsContact C-CD 3.49Å; F498-F501 VanDerWaalsContact O-CB 3.22Å; F498-F501 WeakPolarHBondContact O-CB 3.19Å; F498-F501 PolarHBondContact O-N 2.53Å
499A41.9Very low48.4Very low39 Ų3964.6 Ų64.632%0.32235%0.346SS..Hα-helixtrans-59.7-40.5-177.700000115.3T495 F501 I502T495-A499 PolarHBondContact O-N 3.45Å; A499-F501 PolarHBondContact O-N 3.34Å; A499-I502 PolarHBondContact O-N 2.83Å
500P42.3Very low47.1Very low62 Ų6260.9 Ų60.940%0.40333%0.333SS..Hα-helixtrans-62.6-28.8178.2-21.933.3000113.3L496 F498L496-P500 VanDerWaalsContact O-CD 3.31Å; L496-P500 WeakPolarHBondContact O-CD 3.38Å; F498-P500 VanDerWaalsContact C-CD 3.49Å
501F41Very low45.9Very low56 Ų5666.7 Ų66.725%0.24636%0.356CS..Hα-helixtrans-68.9-44.7-176.2-177.3-114.8000112.4F498 A499 V505 W651 Q652F498-F501 VanDerWaalsContact O-CB 3.22Å; F498-F501 WeakPolarHBondContact O-CB 3.19Å; F498-F501 PolarHBondContact O-N 2.53Å; A499-F501 PolarHBondContact O-N 3.34Å; F501-V505 PolarHBondContact O-N 3.41Å; F501-W651 HydrophobicContact CE2-CB 3.49Å; F501-W651 VanDerWaalsContact CE2-CB 3.49Å; F501-W651 WeakPolarHBondContact CE2-O 3.4Å; F501-W651 HydrophobicContact CZ-CB 3.77Å; F501-W651 VanDerWaalsContact CZ-N 3.32Å; F501-Q652 HydrophobicContact CD2-CB 4.45Å; F501-Q652 VanDerWaalsContact CE2-CA 3.42Å; F501-Q652 HydrophobicContact CE2-CB 4.15Å; F501-Q652 HydrophobicContact CZ-CB 4.39Å
502I41.2Very low44.9Very low43 Ų4372.4 Ų72.422%0.22139%0.387CS..Iπ-helixtrans-73.2-44.2-174.5-62.7-178.4000111.7A499 K504 V506 L538A499-I502 PolarHBondContact O-N 2.83Å; I502-K504 VanDerWaalsContact C-N 3.34Å; I502-K504 PolarHBondContact O-N 3.37Å; I502-V506 PolarHBondContact O-N 3Å; I502-L538 HydrophobicContact CD1-CB 4.19Å; I502-L538 HydrophobicContact CG2-CB 3.82Å; I502-L538 HydrophobicContact CG2-CD1 3.8Å; I502-L538 HydrophobicContact CG2-CD2 3.46Å; I502-L538 VanDerWaalsContact CG2-CD2 3.46Å; I502-L538 HydrophobicContact CG2-CG 3.88Å
503V40.9Very low44.4Very low78 Ų7875.4 Ų75.447%0.47340%0.395SS..Iπ-helixtrans-68.3-32.5-172.91760000112.3L507V503-L507 HydrophobicContact CG1-CD1 4.45Å; V503-L507 WeakPolarHBondContact O-CD1 3.38Å
504K40.2Very low44Very low110 Ų11070.5 Ų70.548%0.47839%0.39SS..Iπ-helixtrans-105.8-16.2-170.7-66.3-171.9173-177.20115.7I502 P508 F585I502-K504 VanDerWaalsContact C-N 3.34Å; I502-K504 PolarHBondContact O-N 3.37Å; K504-P508 WeakPolarHBondContact O-CD 3.44Å; K504-P508 VanDerWaalsContact O-CG 3.26Å; K504-P508 WeakPolarHBondContact O-CG 3.35Å; K504-F585 HydrophobicContact CB-CE1 3.47Å; K504-F585 VanDerWaalsContact CB-CE1 3.47Å; K504-F585 HydrophobicContact CB-CZ 3.92Å; K504-F585 HydrophobicContact CD-CD1 4.4Å; K504-F585 HydrophobicContact CD-CE1 3.66Å; K504-F585 HydrophobicContact CD-CZ 3.77Å; K504-F585 HydrophobicContact CG-CE1 4.22Å; K504-F585 HydrophobicContact CG-CZ 4.4Å
505V42.2Very low43.3Very low25 Ų2573.3 Ų73.315%0.15242%0.416CS..Iπ-helixtrans-110.8-40.2-178.5-171.30000113F501 W651F501-V505 PolarHBondContact O-N 3.41Å; V505-W651 HydrophobicContact CB-CB 4.35Å; V505-W651 HydrophobicContact CG1-CB 3.58Å; V505-W651 HydrophobicContact CG1-CD2 3.63Å; V505-W651 HydrophobicContact CG1-CE3 4.17Å; V505-W651 HydrophobicContact CG1-CG 3.35Å; V505-W651 HydrophobicContact CG2-CB 4.47Å
506V41.8Very low42.7Very low32 Ų3273.4 Ų73.419%0.19442%0.419CS..Iπ-helixtrans-73.6-44.1-179.4-177.40000111.4I502 A509 C510 I520I502-V506 PolarHBondContact O-N 3Å; V506-A509 PolarHBondContact O-N 2.77Å; V506-C510 PolarHBondContact O-N 2.88Å; V506-C510 PolarHBondContact O-SG 3.01Å; V506-C510 VanDerWaalsContact O-SG 3.38Å; V506-I520 HydrophobicContact CG1-CD1 4.26Å
507L40.1Very low42.2Very low29 Ų2971.1 Ų71.115%0.15241%0.405CS..Hα-helixtrans-57.4-47.2-179.1-100162.2000113.8V503 A509 C510 I520 L521 I524V503-L507 HydrophobicContact CG1-CD1 4.45Å; V503-L507 WeakPolarHBondContact O-CD1 3.38Å; L507-A509 VanDerWaalsContact C-N 3.35Å; L507-A509 PolarHBondContact O-N 3.1Å; L507-C510 PolarHBondContact O-N 3.35Å; L507-I520 HydrophobicContact CD2-CG2 3.9Å; L507-I520 HydrophobicContact CG-CG2 3.92Å; L507-L521 HydrophobicContact CD2-CD2 3.75Å; L507-L521 HydrophobicContact CD2-CG 3.96Å; L507-I524 HydrophobicContact CD1-CD1 3.56Å; L507-I524 HydrophobicContact CG-CD1 4.28Å
508P39.6Very low42Very low68 Ų6868.2 Ų68.244%0.44240%0.395SS..Hα-helixtrans-66.5-33.1177.2-23.635000113.9K504 C510 K511K504-P508 WeakPolarHBondContact O-CD 3.44Å; K504-P508 VanDerWaalsContact O-CG 3.26Å; K504-P508 WeakPolarHBondContact O-CG 3.35Å; P508-C510 PolarHBondContact O-N 2.92Å; P508-K511 WeakPolarHBondContact O-CB 3.26Å; P508-K511 PolarHBondContact O-N 3.36Å
509A41.9Very low41.6Very low78 Ų7870.8 Ų70.865%0.64541%0.41SS*.Hα-helixtrans-66.7-26.7177.300000112.2V506 L507 K511V506-A509 PolarHBondContact O-N 2.77Å; L507-A509 VanDerWaalsContact C-N 3.35Å; L507-A509 PolarHBondContact O-N 3.1Å; A509-K511 VanDerWaalsContact C-N 3.35Å
510C39.6Very low41.6Very low25 Ų2569.9 Ų69.917%0.16940%0.4CS..G310 helixtrans-82.5-1.6176.9-640000114.7V506 L507 P508 N512 E513 A516 I520V506-C510 PolarHBondContact O-N 2.88Å; V506-C510 PolarHBondContact O-SG 3.01Å; V506-C510 VanDerWaalsContact O-SG 3.38Å; L507-C510 PolarHBondContact O-N 3.35Å; P508-C510 PolarHBondContact O-N 2.92Å; C510-N512 PolarHBondContact O-N 3.31Å; C510-E513 PolarHBondContact O-N 3.29Å; C510-A516 HydrophobicContact CB-CB 4.32Å; C510-I520 HydrophobicContact CB-CD1 4.29Å; C510-I520 VanDerWaalsContact SG-CD1 3.53Å
511K41.6Very low41.6Very low147 Ų14770.6 Ų70.664%0.63940%0.4SS*.G310 helixtrans-56.6-20.2-177.2-96.4-175.4170.21790115.4P508 A509P508-K511 WeakPolarHBondContact O-CB 3.26Å; P508-K511 PolarHBondContact O-N 3.36Å; A509-K511 VanDerWaalsContact C-N 3.35Å
512N46.9Very low41.6Very low155 Ų15570.6 Ų70.683%0.82941%0.405SS*.G310 helixtrans-96.41.6178.8-66.8-20.1000113.5C510C510-N512 PolarHBondContact O-N 3.31Å
513E43.4Very low41.4Very low122 Ų12270.1 Ų70.157%0.5741%0.405SS*.  trans-125.893.6171.5-77.5-156.8175.200110.6C510 A515 A516 E517C510-E513 PolarHBondContact O-N 3.29Å; E513-A515 PolarHBondContact O-N 2.92Å; E513-A516 HydrophobicContact CB-CB 3.83Å; E513-A516 PolarHBondContact O-N 2.85Å; E513-E517 PolarHBondContact O-N 3.5Å
514P44.9Very low41.3Very low100 Ų10068 Ų6865%0.64939%0.391SS*.Hα-helixtrans-56.9-28.5-177.5-24.332.2000113.6S518P514-S518 WeakPolarHBondContact O-CB 3.2Å; P514-S518 PolarHBondContact O-N 3.27Å
515A42.3Very low41.2Very low80 Ų8065.7 Ų65.766%0.66139%0.389SS*.Hα-helixtrans-71.5-41.5176.200000112.2E513 L519E513-A515 PolarHBondContact O-N 2.92Å; A515-L519 VanDerWaalsContact O-CB 3.31Å; A515-L519 WeakPolarHBondContact O-CB 3.11Å; A515-L519 PolarHBondContact O-N 3.41Å
516A39.9Very low40.9Very low17 Ų1770.7 Ų70.714%0.1441%0.411CS..Hα-helixtrans-69.6-43.4176.200000111C510 E513 L519 I520C510-A516 HydrophobicContact CB-CB 4.32Å; E513-A516 HydrophobicContact CB-CB 3.83Å; E513-A516 PolarHBondContact O-N 2.85Å; A516-L519 PolarHBondContact O-N 2.92Å; A516-I520 WeakPolarHBondContact O-CB 3.1Å; A516-I520 VanDerWaalsContact O-CG1 3.24Å; A516-I520 WeakPolarHBondContact O-CG1 3.45Å; A516-I520 PolarHBondContact O-N 3.36Å
517E39.1Very low40.5Very low59 Ų5970.5 Ų70.528%0.27641%0.407SS..Hα-helixtrans-61.8-47.9174.8-171.7-179.9-174.900111.3E513 L519 I520 L521E513-E517 PolarHBondContact O-N 3.5Å; E517-L519 PolarHBondContact O-N 3.42Å; E517-I520 PolarHBondContact O-N 2.76Å; E517-L521 HydrophobicContact CG-CD1 3.71Å; E517-L521 HydrophobicContact CG-CG 4.27Å; E517-L521 VanDerWaalsContact O-CB 3.23Å; E517-L521 WeakPolarHBondContact O-CB 3.44Å; E517-L521 VanDerWaalsContact O-CG 3.27Å; E517-L521 WeakPolarHBondContact O-CG 3.36Å; E517-L521 PolarHBondContact O-N 3.37Å
518S43.1Very low40.1Very low66 Ų6678.3 Ų78.346%0.46244%0.436SS..Hα-helixtrans-61.1-42.9176.6178.60000111.6P514 T522P514-S518 WeakPolarHBondContact O-CB 3.2Å; P514-S518 PolarHBondContact O-N 3.27Å; S518-T522 WeakPolarHBondContact O-CA 3.37Å; S518-T522 WeakPolarHBondContact O-CB 3.45Å; S518-T522 PolarHBondContact O-N 2.84Å; S518-T522 PolarHBondContact O-OG1 3.03Å
519L40.4Very low39.8Very low95 Ų9583.5 Ų83.550%0.49745%0.452SS..Hα-helixtrans-66.6-42.8179.2-159.884.8000112.2A515 A516 E517 S523A515-L519 VanDerWaalsContact O-CB 3.31Å; A515-L519 WeakPolarHBondContact O-CB 3.11Å; A515-L519 PolarHBondContact O-N 3.41Å; A516-L519 PolarHBondContact O-N 2.92Å; E517-L519 PolarHBondContact O-N 3.42Å; L519-S523 WeakPolarHBondContact O-CB 3.47Å; L519-S523 PolarHBondContact O-N 2.77Å; L519-S523 PolarHBondContact O-OG 3.06Å
520I41.5Very low39.3Very low20 Ų2085.2 Ų85.210%0.10345%0.45CS..Hα-helixtrans-66.2-47.2177.4-69.9167.6000110.2V506 L507 C510 A516 E517 S523 I524 L538V506-I520 HydrophobicContact CG1-CD1 4.26Å; L507-I520 HydrophobicContact CD2-CG2 3.9Å; L507-I520 HydrophobicContact CG-CG2 3.92Å; C510-I520 HydrophobicContact CB-CD1 4.29Å; C510-I520 VanDerWaalsContact SG-CD1 3.53Å; A516-I520 WeakPolarHBondContact O-CB 3.1Å; A516-I520 VanDerWaalsContact O-CG1 3.24Å; A516-I520 WeakPolarHBondContact O-CG1 3.45Å; A516-I520 PolarHBondContact O-N 3.36Å; E517-I520 PolarHBondContact O-N 2.76Å; I520-S523 PolarHBondContact O-N 3.2Å; I520-I524 HydrophobicContact CG2-CD1 3.72Å; I520-I524 HydrophobicContact CG2-CG1 4.42Å; I520-I524 VanDerWaalsContact O-CG1 3.23Å; I520-I524 WeakPolarHBondContact O-CG1 3.45Å; I520-I524 PolarHBondContact O-N 2.92Å; I520-L538 HydrophobicContact CG2-CD2 4.04Å
521L42.6Very low38.8Very low77 Ų7786.1 Ų86.140%0.40346%0.459SS..Hα-helixtrans-65.8-37.7176.9-73.5173.9000112.1L507 E517 I524 S525L507-L521 HydrophobicContact CD2-CD2 3.75Å; L507-L521 HydrophobicContact CD2-CG 3.96Å; E517-L521 HydrophobicContact CG-CD1 3.71Å; E517-L521 HydrophobicContact CG-CG 4.27Å; E517-L521 VanDerWaalsContact O-CB 3.23Å; E517-L521 WeakPolarHBondContact O-CB 3.44Å; E517-L521 VanDerWaalsContact O-CG 3.27Å; E517-L521 WeakPolarHBondContact O-CG 3.36Å; E517-L521 PolarHBondContact O-N 3.37Å; L521-I524 PolarHBondContact O-N 3.1Å; L521-S525 WeakPolarHBondContact O-CB 3.33Å; L521-S525 PolarHBondContact O-N 3.3Å; L521-S525 PolarHBondContact O-OG 3.34Å
522T39.8Very low38.4Very low57 Ų5786.2 Ų86.235%0.3547%0.467SS..Hα-helixtrans-65.9-43.9176.3-54.20000109.5S518 S525 E526S518-T522 WeakPolarHBondContact O-CA 3.37Å; S518-T522 WeakPolarHBondContact O-CB 3.45Å; S518-T522 PolarHBondContact O-N 2.84Å; S518-T522 PolarHBondContact O-OG1 3.03Å; T522-S525 PolarHBondContact O-N 3.12Å; T522-S525 PolarHBondContact O-OG 2.85Å; T522-E526 HydrophobicContact CG2-CG 4.37Å; T522-E526 WeakPolarHBondContact O-CB 3.43Å; T522-E526 PolarHBondContact O-N 2.8Å
523S37.8Very low37.7Very low33 Ų3386.6 Ų86.623%0.23147%0.469CS..Hα-helixtrans-60.3-50.5173.8-54.80000111L519 I520 S525 E527L519-S523 WeakPolarHBondContact O-CB 3.47Å; L519-S523 PolarHBondContact O-N 2.77Å; L519-S523 PolarHBondContact O-OG 3.06Å; I520-S523 PolarHBondContact O-N 3.2Å; S523-S525 VanDerWaalsContact C-N 3.32Å; S523-S525 PolarHBondContact O-N 3.49Å; S523-E527 WeakPolarHBondContact O-CB 3.5Å; S523-E527 WeakPolarHBondContact O-CG 3.18Å; S523-E527 PolarHBondContact O-N 3.08Å
524I37.7Very low37Very low33 Ų3384 Ų8417%0.16947%0.469CS..Hα-helixtrans-59.4-42.7175.7-66.4165.4000111.1L507 I520 L521 E527 Y528 L538L507-I524 HydrophobicContact CD1-CD1 3.56Å; L507-I524 HydrophobicContact CG-CD1 4.28Å; I520-I524 HydrophobicContact CG2-CD1 3.72Å; I520-I524 HydrophobicContact CG2-CG1 4.42Å; I520-I524 VanDerWaalsContact O-CG1 3.23Å; I520-I524 WeakPolarHBondContact O-CG1 3.45Å; I520-I524 PolarHBondContact O-N 2.92Å; L521-I524 PolarHBondContact O-N 3.1Å; I524-E527 CarbonylContact O-C 3.54Å; I524-E527 PolarHBondContact O-N 3.42Å; I524-Y528 HydrophobicContact CG2-CD2 4.35Å; I524-Y528 WeakPolarHBondContact O-CB 3.44Å; I524-Y528 PolarHBondContact O-N 3.39Å; I524-L538 HydrophobicContact CD1-CD1 3.71Å; I524-L538 HydrophobicContact CG1-CD1 3.25Å; I524-L538 HydrophobicContact CG1-CG 4.49Å
525S38.2Very low36.3Very low62 Ų6284.6 Ų84.643%0.43446%0.464SS..Hα-helixtrans-75.8-35.8-173.585.10000113.1L521 T522 S523 K529L521-S525 WeakPolarHBondContact O-CB 3.33Å; L521-S525 PolarHBondContact O-N 3.3Å; L521-S525 PolarHBondContact O-OG 3.34Å; T522-S525 PolarHBondContact O-N 3.12Å; T522-S525 PolarHBondContact O-OG 2.85Å; S523-S525 VanDerWaalsContact C-N 3.32Å; S523-S525 PolarHBondContact O-N 3.49Å; S525-K529 PolarHBondContact O-N 3.03Å; S525-K529 VanDerWaalsContact O-N 3.15Å
526E36.2Very low35.7Very low130 Ų13082.1 Ų82.161%0.60744%0.442SS*.Hα-helixtrans-69.7-38.9170.8-74.4-171.8162.900109.7T522 K529 D530T522-E526 HydrophobicContact CG2-CG 4.37Å; T522-E526 WeakPolarHBondContact O-CB 3.43Å; T522-E526 PolarHBondContact O-N 2.8Å; E526-K529 PolarHBondContact O-N 3.21Å; E526-D530 PolarHBondContact O-N 2.83Å
527E34.6Very low35.6Very low27 Ų2782.4 Ų82.413%0.12644%0.441CS..Hα-helixtrans-75.3-25.4178.2-64.4-177.9153.600113.5R453 S523 I524 D530 A531 S536 L537R453-E527 IonicContact NH2-OE1 2.72Å; S523-E527 WeakPolarHBondContact O-CB 3.5Å; S523-E527 WeakPolarHBondContact O-CG 3.18Å; S523-E527 PolarHBondContact O-N 3.08Å; I524-E527 CarbonylContact O-C 3.54Å; I524-E527 PolarHBondContact O-N 3.42Å; E527-D530 CarbonylContact O-C 3.44Å; E527-A531 VanDerWaalsContact O-CA 3.24Å; E527-A531 WeakPolarHBondContact O-CA 2.99Å; E527-A531 VanDerWaalsContact O-CB 3.29Å; E527-A531 WeakPolarHBondContact O-CB 3.42Å; E527-A531 PolarHBondContact O-N 3.34Å; E527-S536 VanDerWaalsContact CD-O 3.26Å; E527-S536 WeakPolarHBondContact OE1-CA 3.18Å; E527-S536 WeakPolarHBondContact OE1-CB 3.35Å; E527-S536 VanDerWaalsContact OE2-C 3.24Å; E527-L537 PolarHBondContact OE1-N 2.93Å
528Y30.9Very low35.3Very low193 Ų19381.1 Ų81.176%0.75744%0.436SS*.Hα-helixtrans-75.4-29.4169.5-123.4-87.2000111.9I524 A531I524-Y528 HydrophobicContact CG2-CD2 4.35Å; I524-Y528 WeakPolarHBondContact O-CB 3.44Å; I524-Y528 PolarHBondContact O-N 3.39Å; Y528-A531 WeakPolarHBondContact O-CB 3.43Å
529K33.2Very low35Very low178 Ų17881 Ų8177%0.77443%0.432SS*.Hα-helixtrans-75.9-33.1172.6-81.4-177.7175.8175.90112S525 E526S525-K529 PolarHBondContact O-N 3.03Å; S525-K529 VanDerWaalsContact O-N 3.15Å; E526-K529 PolarHBondContact O-N 3.21Å
530D31.5Very low34.9Very low113 Ų11383 Ų8360%0.60444%0.442SS*.SBendtrans-94.57173.8-78.5-16.7000114E526 E527 N532 N533E526-D530 PolarHBondContact O-N 2.83Å; E527-D530 CarbonylContact O-C 3.44Å; D530-N532 PolarHBondContact O-N 3.35Å; D530-N533 PolarHBondContact O-N 3.03Å
531A29.2Very low34.8Very low44 Ų4488.1 Ų88.136%0.36447%0.466SS..THydrogen-bonded Turntrans-57-9.2177.800000113.9E527 Y528E527-A531 VanDerWaalsContact O-CA 3.24Å; E527-A531 WeakPolarHBondContact O-CA 2.99Å; E527-A531 VanDerWaalsContact O-CB 3.29Å; E527-A531 WeakPolarHBondContact O-CB 3.42Å; E527-A531 PolarHBondContact O-N 3.34Å; Y528-A531 WeakPolarHBondContact O-CB 3.43Å
532N32.7Very low34.9Very low150 Ų15089.5 Ų89.580%0.80247%0.474SS*.THydrogen-bonded Turntrans-84.9-1.2175.6-76-25.4000115.2D530D530-N532 PolarHBondContact O-N 3.35Å
533N32Very low35.2Very low163 Ų16389.5 Ų89.587%0.87247%0.471SS*.THydrogen-bonded Turntrans-136.7-19.1178.8-90.8-25.3000118.6D530D530-N533 PolarHBondContact O-N 3.03Å
534A30.6Very low35.9Very low68 Ų6892.3 Ų92.356%0.56249%0.487SS*.  trans-177.3114.4166.200000105.4S536A534-S536 VanDerWaalsContact C-N 3.31Å; A534-S536 PolarHBondContact O-N 3.21Å; A534-S536 PolarHBondContact O-OG 3.01Å
535M29.6Very low36.7Very low111 Ų11199.4 Ų99.455%0.54752%0.517SS..  trans-51.1103.1173.7-115.3-156.7-72.100108.3T495T495-M535 HydrophobicContact CG2-SD 4.47Å
536S30.1Very low37.4Very low28 Ų28101.1 Ų101.120%0.19652%0.524CS..  trans-81.9141.2175.6-63.90000105.5R453 E527 A534R453-S536 PolarHBondContact NH2-OG 3Å; E527-S536 VanDerWaalsContact CD-O 3.26Å; E527-S536 WeakPolarHBondContact OE1-CA 3.18Å; E527-S536 WeakPolarHBondContact OE1-CB 3.35Å; E527-S536 VanDerWaalsContact OE2-C 3.24Å; A534-S536 VanDerWaalsContact C-N 3.31Å; A534-S536 PolarHBondContact O-N 3.21Å; A534-S536 PolarHBondContact O-OG 3.01Å
537L36.4Very low38.5Very low23 Ų2395 Ų9512%0.1250%0.496CS..  trans-124.6128.8-147.9-139131.8000108.9I444 R452 T495 E527I444-L537 HydrophobicContact CB-CD2 4.17Å; I444-L537 HydrophobicContact CG1-CD1 4.21Å; I444-L537 HydrophobicContact CG1-CD2 3.9Å; I444-L537 HydrophobicContact CG2-CD2 3.6Å; R452-L537 VanDerWaalsContact NH2-CB 3.26Å; R452-L537 PolarHBondContact NH2-O 2.75Å; T495-L537 HydrophobicContact CG2-CD1 3.58Å; T495-L537 HydrophobicContact CG2-CG 4.19Å; E527-L537 PolarHBondContact OE1-N 2.93Å
538L33.1Very low40Very low33 Ų33100 Ų10017%0.17351%0.514CS..PPolyproline II helixtrans-68.6153.4-162.9-140134.2000115.7I502 I520 I524I502-L538 HydrophobicContact CD1-CB 4.19Å; I502-L538 HydrophobicContact CG2-CB 3.82Å; I502-L538 HydrophobicContact CG2-CD1 3.8Å; I502-L538 HydrophobicContact CG2-CD2 3.46Å; I502-L538 VanDerWaalsContact CG2-CD2 3.46Å; I502-L538 HydrophobicContact CG2-CG 3.88Å; I520-L538 HydrophobicContact CG2-CD2 4.04Å; I524-L538 HydrophobicContact CD1-CD1 3.71Å; I524-L538 HydrophobicContact CG1-CD1 3.25Å; I524-L538 HydrophobicContact CG1-CG 4.49Å
539V36.9Very low41.8Very low63 Ų6393.2 Ų93.238%0.38249%0.494SS..PPolyproline II helixtrans-94132.8-170.2174.40000112.1
540L37.6Very low43.3Very low137 Ų13784.9 Ų84.972%0.71746%0.459SS*.PPolyproline II helixtrans-96.9121.2146.7-80.4162.9000106.4
541Q39.4Very low44.7Very low127 Ų12783.5 Ų83.559%0.59345%0.452SS*.PPolyproline II helixtrans-58.4142.9170.6-100.6-177.1-2.300109L543Q541-L543 VanDerWaalsContact C-N 3.28Å; Q541-L543 PolarHBondContact O-N 2.86Å
542D46Very low46Very low107 Ų10787.2 Ų87.257%0.57247%0.465SS*.  trans-66.588.1173.1-177.210.7000109.9T544D542-T544 VanDerWaalsContact CG-OG1 3.24Å; D542-T544 PolarHBondContact O-N 3.29Å; D542-T544 WeakPolarHBondContact OD1-CB 3.42Å; D542-T544 WeakPolarHBondContact OD1-CG2 3.34Å; D542-T544 PolarHBondContact OD1-N 3.47Å; D542-T544 VanDerWaalsContact OD1-N 3.14Å; D542-T544 PolarHBondContact OD1-OG1 3.13Å; D542-T544 PolarHBondContact OD2-OG1 3.45Å
543L45.4Very low47.3Very low56 Ų5686.3 Ų86.329%0.29346%0.464SS..G310 helixtrans-69.3-7177.2-70.9174000112.4Q541 K545 V546 A547 L631 A647Q541-L543 VanDerWaalsContact C-N 3.28Å; Q541-L543 PolarHBondContact O-N 2.86Å; L543-K545 PolarHBondContact O-N 2.56Å; L543-V546 HydrophobicContact CD2-CG2 4.21Å; L543-V546 WeakPolarHBondContact O-CG2 3.36Å; L543-V546 PolarHBondContact O-N 3.09Å; L543-A547 PolarHBondContact O-N 3.17Å; L543-L631 HydrophobicContact CB-CD1 3.94Å; L543-L631 HydrophobicContact CD1-CD1 3.64Å; L543-L631 HydrophobicContact CG-CD1 4.46Å; L543-A647 HydrophobicContact CD1-CB 4Å
544T52.9Low48.9Very low92 Ų9283.8 Ų83.856%0.56445%0.451SS*.G310 helixtrans-62.2-19-174.367.30000113.6D542 A547D542-T544 VanDerWaalsContact CG-OG1 3.24Å; D542-T544 PolarHBondContact O-N 3.29Å; D542-T544 WeakPolarHBondContact OD1-CB 3.42Å; D542-T544 WeakPolarHBondContact OD1-CG2 3.34Å; D542-T544 PolarHBondContact OD1-N 3.47Å; D542-T544 VanDerWaalsContact OD1-N 3.14Å; D542-T544 PolarHBondContact OD1-OG1 3.13Å; D542-T544 PolarHBondContact OD2-OG1 3.45Å; T544-A547 WeakPolarHBondContact CA-O 3.31Å
545K54.4Low50.8Low183 Ų18381.1 Ų81.180%0.79643%0.43SS*.G310 helixtrans-76.9-24.6175.4-68.5-169.9179.5-179.70114.5L543L543-K545 PolarHBondContact O-N 2.56Å
546V53Low53.4Low97 Ų9775.9 Ų75.959%0.58840%0.404SS*.THydrogen-bonded Turntrans-121-17.7-173.5-81.50000113L543 V634L543-V546 HydrophobicContact CD2-CG2 4.21Å; L543-V546 WeakPolarHBondContact O-CG2 3.36Å; L543-V546 PolarHBondContact O-N 3.09Å; V546-V634 PolarHBondContact O-N 3.22Å
547A60Low56Low2 Ų278.1 Ų78.12%0.01742%0.417CS..EExtended strand (participates in β ladder)trans-141.2148.5-178.900000112L543 T544 L631 F632 A646L543-A547 PolarHBondContact O-N 3.17Å; T544-A547 WeakPolarHBondContact CA-O 3.31Å; A547-L631 HydrophobicContact CB-CB 3.81Å; A547-F632 CarbonylContact C-O 3.46Å; A547-F632 WeakPolarHBondContact CA-O 3.43Å; A547-F632 WeakPolarHBondContact CB-O 3.47Å; A547-A646 HydrophobicContact CB-CB 3.53Å
548R66.1Low58.2Low132 Ų13281.2 Ų81.250%0.49843%0.431SS..EExtended strand (participates in β ladder)trans-132.8150.1173.3-74.5-167.5178.7-135.81110.1F632 V634R548-F632 PolarHBondContact N-O 2.98Å; R548-F632 PolarHBondContact O-N 3.33Å; R548-V634 HydrophobicContact CB-CG2 4.25Å; R548-V634 HydrophobicContact CG-CG2 3.87Å
549S66.8Low60.6Low50 Ų5081.1 Ų81.135%0.3544%0.437SS..EExtended strand (participates in β ladder)trans-62.8157.2165.661.90000110.1
550A64.9Low63Low3 Ų378.6 Ų78.63%0.02542%0.421CS..  trans-62.4161.9168.700000111.2L552 L556 A627 F632A550-L552 PolarHBondContact O-N 3.46Å; A550-L552 VanDerWaalsContact O-N 3.12Å; A550-L556 HydrophobicContact CB-CD2 3.5Å; A550-A627 HydrophobicContact CB-CB 4.46Å; A550-F632 HydrophobicContact CB-CD2 4.08Å; A550-F632 HydrophobicContact CB-CE2 3.7Å
551D62.3Low65.5Low85 Ų8572.2 Ų72.246%0.45539%0.388SS..  trans-66.7108.3173.6-175-14.5000109.7V553 N554 G555D551-V553 PolarHBondContact O-N 2.88Å; D551-V553 WeakPolarHBondContact OD1-CB 3.13Å; D551-V553 PolarHBondContact OD1-N 3.28Å; D551-N554 HydrophobicContact CB-CB 4.41Å; D551-N554 PolarHBondContact OD1-N 3.28Å; D551-N554 PolarHBondContact OD2-ND2 3.21Å; D551-G555 WeakPolarHBondContact O-CA 3.22Å; D551-G555 PolarHBondContact O-N 2.77Å
552L56.7Low67.9Low121 Ų12168.5 Ų68.563%0.63437%0.372SS*.THydrogen-bonded Turntrans-61-28.7-179.2-77.4158.9000112.5A550A550-L552 PolarHBondContact O-N 3.46Å; A550-L552 VanDerWaalsContact O-N 3.12Å
553V58.6Low69.9Low132 Ų13265.8 Ų65.880%0.836%0.357SS*.THydrogen-bonded Turntrans-78.3-46.4-175.5-178.60000110.8D551 G555D551-V553 PolarHBondContact O-N 2.88Å; D551-V553 WeakPolarHBondContact OD1-CB 3.13Å; D551-V553 PolarHBondContact OD1-N 3.28Å; V553-G555 VanDerWaalsContact C-N 3.33Å
554N66.3Low72.1Confident109 Ų10963.1 Ų63.158%0.58334%0.343SS*.THydrogen-bonded Turntrans-80.9-18.7-179.8-71.5-48000112.7D551 N672D551-N554 HydrophobicContact CB-CB 4.41Å; D551-N554 PolarHBondContact OD1-N 3.28Å; D551-N554 PolarHBondContact OD2-ND2 3.21Å; N554-N672 PolarHBondContact O-ND2 2.85Å
555G71.3Confident73.9Confident12 Ų1258.8 Ų58.812%0.12432%0.317CS..  trans75.5177.4-173.100000112.3D551 V553D551-G555 WeakPolarHBondContact O-CA 3.22Å; D551-G555 PolarHBondContact O-N 2.77Å; V553-G555 VanDerWaalsContact C-N 3.33Å
556L83.4Confident75.7Confident2 Ų252.2 Ų52.21%0.0129%0.289CS..  trans-62.6136.7176.1-67.1171.2000111A550 Q560 L561 A627 F632 L666 S670 L675A550-L556 HydrophobicContact CB-CD2 3.5Å; L556-Q560 HydrophobicContact CB-CB 4.3Å; L556-Q560 HydrophobicContact CD2-CB 3.85Å; L556-L561 HydrophobicContact CB-CB 4.31Å; L556-L561 HydrophobicContact CD1-CD1 4.36Å; L556-A627 HydrophobicContact CD1-CB 4.26Å; L556-A627 HydrophobicContact CD2-CB 3.94Å; L556-A627 HydrophobicContact CG-CB 4.01Å; L556-F632 HydrophobicContact CD2-CE2 3.82Å; L556-F632 HydrophobicContact CD2-CZ 3.57Å; L556-L666 HydrophobicContact CD1-CD1 3.8Å; L556-L666 HydrophobicContact CD1-CG 4.32Å; L556-S670 WeakPolarHBondContact CG-O 3.22Å; L556-S670 PolarHBondContact N-O 2.85Å; L556-L675 WeakPolarHBondContact O-CD2 3.43Å
557T83.9Confident77.3Confident74 Ų7448.8 Ų48.845%0.45427%0.271SS..  trans-67.1159.9165.263.40000110.4G559 Q560 L561T557-G559 PolarHBondContact O-N 2.94Å; T557-Q560 PolarHBondContact O-N 3.39Å; T557-Q560 VanDerWaalsContact O-N 3.16Å; T557-Q560 WeakPolarHBondContact OG1-CB 3.37Å; T557-Q560 VanDerWaalsContact OG1-CG 3.27Å; T557-Q560 WeakPolarHBondContact OG1-CG 3.42Å; T557-Q560 PolarHBondContact OG1-N 3.37Å; T557-Q560 PolarHBondContact OG1-OE1 3.25Å; T557-L561 WeakPolarHBondContact O-CB 3.15Å; T557-L561 PolarHBondContact O-N 3.05Å
558E83.2Confident78.7Confident89 Ų8948.7 Ų48.742%0.41627%0.27SS..Hα-helixtrans-56.4-39.6177.6-175.6168.8-168.400112L561 L562 L675 K679E558-L561 PolarHBondContact O-N 2.86Å; E558-L562 HydrophobicContact CG-CD1 4.23Å; E558-L562 VanDerWaalsContact O-CG 3.31Å; E558-L562 WeakPolarHBondContact O-CG 3.36Å; E558-L562 PolarHBondContact O-N 3.31Å; E558-L675 HydrophobicContact CB-CD1 4.32Å; E558-K679 IonicContact OE1-NZ 3.59Å; E558-K679 PolarHBondContact OE1-NZ 3.44Å; E558-K679 IonicContact OE2-NZ 2.63Å; E558-K679 PolarHBondContact OE2-NZ 2.88Å
559G84.2Confident79.8Confident30 Ų3042.4 Ų42.431%0.30925%0.246SC..Hα-helixtrans-66.1-41.6176.600000113.6T557 N563T557-G559 PolarHBondContact O-N 2.94Å; G559-N563 PolarHBondContact O-N 2.98Å; G559-N563 VanDerWaalsContact O-N 3.16Å; G559-N563 PolarHBondContact O-ND2 3.42Å
560Q87.1Confident80.7Confident11 Ų1145.2 Ų45.25%0.05125%0.252CS..Hα-helixtrans-65.3-44.7175.1-73.6167.4-34.500111.4L556 T557 L562 N563 C564 F632 A641 S642L556-Q560 HydrophobicContact CB-CB 4.3Å; L556-Q560 HydrophobicContact CD2-CB 3.85Å; T557-Q560 PolarHBondContact O-N 3.39Å; T557-Q560 VanDerWaalsContact O-N 3.16Å; T557-Q560 WeakPolarHBondContact OG1-CB 3.37Å; T557-Q560 VanDerWaalsContact OG1-CG 3.27Å; T557-Q560 WeakPolarHBondContact OG1-CG 3.42Å; T557-Q560 PolarHBondContact OG1-N 3.37Å; T557-Q560 PolarHBondContact OG1-OE1 3.25Å; Q560-L562 PolarHBondContact O-N 2.95Å; Q560-N563 PolarHBondContact O-N 2.82Å; Q560-C564 PolarHBondContact O-N 2.9Å; Q560-C564 PolarHBondContact O-SG 3.43Å; Q560-F632 HydrophobicContact CB-CE1 3.75Å; Q560-F632 HydrophobicContact CB-CZ 3.95Å; Q560-F632 HydrophobicContact CG-CD1 4Å; Q560-F632 HydrophobicContact CG-CE1 3.7Å; Q560-F632 HydrophobicContact CG-CZ 4.14Å; Q560-A641 PolarHBondContact NE2-O 2.86Å; Q560-S642 PolarHBondContact NE2-O 2.73Å
561L89.8Confident81.6Confident2 Ų247 Ų471%0.0126%0.261CS..Hα-helixtrans-58.5-46.5178.5177.856.3000112L556 T557 E558 N563 C564 V565 L666 M667 V671 L675 V683L556-L561 HydrophobicContact CB-CB 4.31Å; L556-L561 HydrophobicContact CD1-CD1 4.36Å; T557-L561 WeakPolarHBondContact O-CB 3.15Å; T557-L561 PolarHBondContact O-N 3.05Å; E558-L561 PolarHBondContact O-N 2.86Å; L561-N563 PolarHBondContact O-N 3.17Å; L561-C564 PolarHBondContact O-N 2.78Å; L561-V565 HydrophobicContact CD1-CG2 4.39Å; L561-V565 WeakPolarHBondContact O-CG2 3.36Å; L561-V565 PolarHBondContact O-N 2.9Å; L561-V565 VanDerWaalsContact O-N 3.07Å; L561-L666 HydrophobicContact CD1-CD2 3.69Å; L561-L666 HydrophobicContact CD1-CG 4.12Å; L561-M667 HydrophobicContact CD1-SD 4.22Å; L561-M667 HydrophobicContact CD2-SD 4.31Å; L561-V671 HydrophobicContact CD1-CG2 3.58Å; L561-V671 HydrophobicContact CD2-CG1 4.04Å; L561-V671 HydrophobicContact CD2-CG2 3.79Å; L561-V671 HydrophobicContact CG-CG2 4.27Å; L561-L675 HydrophobicContact CD2-CD2 4.11Å; L561-L675 HydrophobicContact CD2-CG 4.45Å; L561-V683 HydrophobicContact CD2-CG2 3.74Å; L561-V683 HydrophobicContact CG-CG2 4.07Å
562L89.5Confident82.9Confident50 Ų5043 Ų4326%0.26224%0.239SC..Hα-helixtrans-63.2-40.8177.2-70.1171.6000111.9E558 Q560 V565 E566 H686E558-L562 HydrophobicContact CG-CD1 4.23Å; E558-L562 VanDerWaalsContact O-CG 3.31Å; E558-L562 WeakPolarHBondContact O-CG 3.36Å; E558-L562 PolarHBondContact O-N 3.31Å; Q560-L562 PolarHBondContact O-N 2.95Å; L562-V565 PolarHBondContact O-N 3.48Å; L562-E566 WeakPolarHBondContact O-CG 3.28Å; L562-E566 PolarHBondContact O-N 3.22Å; L562-H686 HydrophobicContact CD2-CB 4.04Å
563N88.5Confident84.2Confident50 Ų5037.3 Ų37.327%0.26721%0.21SC..Hα-helixtrans-68.3-34.8177.2-75.6-21.6000113.1G559 Q560 L561 V565 E566 A567 S643 I645G559-N563 PolarHBondContact O-N 2.98Å; G559-N563 VanDerWaalsContact O-N 3.16Å; G559-N563 PolarHBondContact O-ND2 3.42Å; Q560-N563 PolarHBondContact O-N 2.82Å; L561-N563 PolarHBondContact O-N 3.17Å; N563-V565 VanDerWaalsContact C-N 3.34Å; N563-E566 PolarHBondContact O-N 3.14Å; N563-A567 WeakPolarHBondContact O-CB 3.33Å; N563-A567 PolarHBondContact O-N 3.4Å; N563-S643 PolarHBondContact ND2-O 2.89Å; N563-I645 HydrophobicContact CB-CD1 4.47Å; N563-I645 WeakPolarHBondContact O-CD1 3.39Å
564C90.7Very high85.1Confident0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-61-44.8170.8-65.90000111.2Q560 L561 E566 A567 I568 Y625 I630 I645 L666Q560-C564 PolarHBondContact O-N 2.9Å; Q560-C564 PolarHBondContact O-SG 3.43Å; L561-C564 PolarHBondContact O-N 2.78Å; C564-E566 VanDerWaalsContact C-N 3.33Å; C564-E566 PolarHBondContact O-N 3.45Å; C564-A567 PolarHBondContact O-N 2.96Å; C564-I568 PolarHBondContact O-N 2.84Å; C564-Y625 HydrophobicContact CB-CE1 4.32Å; C564-Y625 PolarHBondContact O-OH 2.94Å; C564-I630 HydrophobicContact CB-CD1 4.12Å; C564-I630 VanDerWaalsContact SG-CD1 3.55Å; C564-I645 HydrophobicContact CB-CD1 4.36Å; C564-L666 HydrophobicContact CB-CD1 4.26Å; C564-L666 HydrophobicContact CB-CD2 3.61Å
565V92.1Very high85.7Confident0 Ų031.8 Ų31.80%017%0.167CC..Hα-helixtrans-66-37.6179.3174.60000111.4L561 L562 N563 I568 A569 L666 V683 Y687L561-V565 HydrophobicContact CD1-CG2 4.39Å; L561-V565 WeakPolarHBondContact O-CG2 3.36Å; L561-V565 PolarHBondContact O-N 2.9Å; L561-V565 VanDerWaalsContact O-N 3.07Å; L562-V565 PolarHBondContact O-N 3.48Å; N563-V565 VanDerWaalsContact C-N 3.34Å; V565-I568 WeakPolarHBondContact O-CG2 3.14Å; V565-A569 VanDerWaalsContact O-CB 3.24Å; V565-A569 WeakPolarHBondContact O-CB 3.19Å; V565-A569 PolarHBondContact O-N 2.96Å; V565-L666 HydrophobicContact CG2-CD2 4.08Å; V565-V683 HydrophobicContact CB-CG1 4.48Å; V565-V683 HydrophobicContact CG1-CG1 4.4Å; V565-V683 HydrophobicContact CG2-CG1 3.45Å; V565-V683 VanDerWaalsContact CG2-CG1 3.45Å; V565-Y687 HydrophobicContact CG1-CD2 4.24Å; V565-Y687 HydrophobicContact CG1-CG 4.45Å
566E90.5Very high86.2Confident45 Ų4532 Ų3221%0.2117%0.166CC..Hα-helixtrans-65.6-40.9172.1-76.1-175.8-166.400113L562 N563 C564 A569 K570 H686 Q690L562-E566 WeakPolarHBondContact O-CG 3.28Å; L562-E566 PolarHBondContact O-N 3.22Å; N563-E566 PolarHBondContact O-N 3.14Å; C564-E566 VanDerWaalsContact C-N 3.33Å; C564-E566 PolarHBondContact O-N 3.45Å; E566-A569 PolarHBondContact O-N 2.95Å; E566-K570 VanDerWaalsContact O-CG 3.31Å; E566-K570 WeakPolarHBondContact O-CG 3.49Å; E566-K570 PolarHBondContact O-N 2.94Å; E566-H686 WeakPolarHBondContact CG-NE2 3.48Å; E566-H686 IonicContact OE1-CE1 3.05Å; E566-H686 PolarHBondContact OE1-CE1 3.17Å; E566-H686 IonicContact OE1-NE2 3.86Å; E566-H686 PolarHBondContact OE1-NE2 3.46Å; E566-Q690 HydrophobicContact CG-CG 3.91Å; E566-Q690 PolarHBondContact OE1-NE2 3.04Å
567A86.5Confident85.9Confident25 Ų2536.9 Ų36.921%0.20719%0.191CC..Hα-helixtrans-64.1-45.1179.500000111.5N563 C564 K570 L571 I645 I648N563-A567 WeakPolarHBondContact O-CB 3.33Å; N563-A567 PolarHBondContact O-N 3.4Å; C564-A567 PolarHBondContact O-N 2.96Å; A567-K570 PolarHBondContact O-N 3.26Å; A567-L571 PolarHBondContact O-N 3.44Å; A567-L571 VanDerWaalsContact O-N 3.17Å; A567-I645 HydrophobicContact CB-CD1 3.71Å; A567-I648 HydrophobicContact CB-CD1 4.2Å
568I90.8Very high85.2Confident1 Ų136.5 Ų36.51%0.00519%0.188CC..Hα-helixtrans-70.4-36.8177.6-157.269.5000112C564 V565 K570 L571 Q572 H622 Y625 D662C564-I568 PolarHBondContact O-N 2.84Å; V565-I568 WeakPolarHBondContact O-CG2 3.14Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 3.45Å; I568-L571 HydrophobicContact CD1-CD2 3.87Å; I568-L571 PolarHBondContact O-N 2.86Å; I568-Q572 HydrophobicContact CG1-CG 4.28Å; I568-Q572 WeakPolarHBondContact O-CB 3.19Å; I568-Q572 VanDerWaalsContact O-CG 3.31Å; I568-Q572 WeakPolarHBondContact O-CG 3.21Å; I568-Q572 PolarHBondContact O-N 3.39Å; I568-H622 HydrophobicContact CD1-CB 4.34Å; I568-Y625 HydrophobicContact CB-CD1 4.37Å; I568-Y625 HydrophobicContact CB-CE1 3.77Å; I568-Y625 HydrophobicContact CD1-CD1 4.39Å; I568-Y625 HydrophobicContact CD1-CD2 4.15Å; I568-Y625 HydrophobicContact CD1-CE1 4.34Å; I568-Y625 HydrophobicContact CD1-CE2 4.11Å; I568-Y625 HydrophobicContact CD1-CG 4.31Å; I568-Y625 HydrophobicContact CG1-CD1 4.36Å; I568-Y625 HydrophobicContact CG1-CE1 4.22Å; I568-Y625 HydrophobicContact CG2-CE1 4.15Å; I568-D662 HydrophobicContact CD1-CB 4.25Å; I568-D662 WeakPolarHBondContact CD1-OD2 3.41Å; I568-D662 HydrophobicContact CG1-CB 3.87Å
569A89.2Confident84.2Confident0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-59.8-41173.100000112.1V565 E566 Q572 A573 Y687 Q690 M691 L694V565-A569 VanDerWaalsContact O-CB 3.24Å; V565-A569 WeakPolarHBondContact O-CB 3.19Å; V565-A569 PolarHBondContact O-N 2.96Å; E566-A569 PolarHBondContact O-N 2.95Å; A569-Q572 PolarHBondContact O-N 3.37Å; A569-A573 WeakPolarHBondContact O-CB 3.16Å; A569-A573 PolarHBondContact O-N 2.97Å; A569-Y687 HydrophobicContact CB-CD2 3.74Å; A569-Y687 HydrophobicContact CB-CE2 3.72Å; A569-Q690 HydrophobicContact CB-CB 3.98Å; A569-M691 HydrophobicContact CB-CG 4.4Å; A569-M691 HydrophobicContact CB-SD 4.13Å; A569-M691 VanDerWaalsContact O-SD 3.39Å; A569-L694 HydrophobicContact CB-CD1 4.49Å
570K85.8Confident82.8Confident109 Ų10940.9 Ų40.947%0.47420%0.204SC..Hα-helixtrans-62.5-43.3175.4-74.7168.7-174.8166.10112.3E566 A567 I568 W574 L694E566-K570 VanDerWaalsContact O-CG 3.31Å; E566-K570 WeakPolarHBondContact O-CG 3.49Å; E566-K570 PolarHBondContact O-N 2.94Å; A567-K570 PolarHBondContact O-N 3.26Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 3.45Å; K570-W574 WeakPolarHBondContact O-CB 3.25Å; K570-W574 PolarHBondContact O-N 3.26Å; K570-L694 HydrophobicContact CG-CD1 3.91Å; K570-L694 HydrophobicContact CG-CD2 4.48Å
571L82.8Confident81.3Confident40 Ų4046 Ų4621%0.20923%0.232CC..Hα-helixtrans-63.5-49176.7-176.782.7000111.4A567 I568 W574 S575 W651A567-L571 PolarHBondContact O-N 3.44Å; A567-L571 VanDerWaalsContact O-N 3.17Å; I568-L571 HydrophobicContact CD1-CD2 3.87Å; I568-L571 PolarHBondContact O-N 2.86Å; L571-W574 WeakPolarHBondContact O-CB 3.38Å; L571-W574 PolarHBondContact O-N 2.86Å; L571-S575 PolarHBondContact O-N 2.69Å; L571-W651 HydrophobicContact CD1-CH2 4.13Å; L571-W651 HydrophobicContact CD2-CH2 3.58Å; L571-W651 HydrophobicContact CD2-CZ3 3.57Å; L571-W651 HydrophobicContact CG-CH2 4.47Å
572Q89.3Confident79.5Confident0 Ų047.7 Ų47.70%024%0.238CC..Hα-helixtrans-66.8-40.8-177.7-71.2174.9-16.200111I568 A569 W574 S575 L576 V619 L620 F659 D662 Y687I568-Q572 HydrophobicContact CG1-CG 4.28Å; I568-Q572 WeakPolarHBondContact O-CB 3.19Å; I568-Q572 VanDerWaalsContact O-CG 3.31Å; I568-Q572 WeakPolarHBondContact O-CG 3.21Å; I568-Q572 PolarHBondContact O-N 3.39Å; A569-Q572 PolarHBondContact O-N 3.37Å; Q572-W574 PolarHBondContact O-N 3.49Å; Q572-S575 WeakPolarHBondContact O-CB 3.49Å; Q572-S575 PolarHBondContact O-N 2.84Å; Q572-S575 PolarHBondContact O-OG 3.01Å; Q572-L576 PolarHBondContact O-N 3.32Å; Q572-L576 VanDerWaalsContact O-N 3.15Å; Q572-V619 HydrophobicContact CB-CB 3.85Å; Q572-V619 HydrophobicContact CB-CG1 4.06Å; Q572-V619 HydrophobicContact CB-CG2 4.02Å; Q572-V619 HydrophobicContact CG-CB 3.92Å; Q572-V619 HydrophobicContact CG-CG2 3.63Å; Q572-L620 WeakPolarHBondContact CG-O 3.16Å; Q572-F659 PolarHBondContact NE2-O 3.03Å; Q572-D662 PolarHBondContact NE2-OD2 3.01Å; Q572-Y687 PolarHBondContact OE1-OH 3.49Å
573A83.8Confident77.5Confident2 Ų252.5 Ų52.52%0.01726%0.257CS..Hα-helixtrans-58.7-45.8169.900000112.3A569 S575 L576 I577 M691 L694 V695A569-A573 WeakPolarHBondContact O-CB 3.16Å; A569-A573 PolarHBondContact O-N 2.97Å; A573-S575 VanDerWaalsContact C-N 3.27Å; A573-S575 PolarHBondContact O-N 2.97Å; A573-L576 PolarHBondContact O-N 2.83Å; A573-I577 VanDerWaalsContact O-CG1 3.3Å; A573-I577 WeakPolarHBondContact O-CG1 3.34Å; A573-I577 PolarHBondContact O-N 3.37Å; A573-M691 HydrophobicContact CB-CE 4.25Å; A573-M691 HydrophobicContact CB-SD 3.93Å; A573-L694 HydrophobicContact CB-CB 3.72Å; A573-L694 HydrophobicContact CB-CD1 3.93Å; A573-L694 HydrophobicContact CB-CG 4.41Å; A573-V695 HydrophobicContact CB-CG2 3.67Å
574W79.4Confident75.6Confident121 Ų12154.3 Ų54.346%0.45827%0.274SS..Hα-helixtrans-58.8-39.8175.717284.9000112K570 L571 Q572 L576 I577 T578 W582 L620K570-W574 WeakPolarHBondContact O-CB 3.25Å; K570-W574 PolarHBondContact O-N 3.26Å; L571-W574 WeakPolarHBondContact O-CB 3.38Å; L571-W574 PolarHBondContact O-N 2.86Å; Q572-W574 PolarHBondContact O-N 3.49Å; W574-L576 VanDerWaalsContact C-N 3.31Å; W574-L576 PolarHBondContact O-N 2.93Å; W574-I577 PolarHBondContact O-N 2.84Å; W574-T578 HydrophobicContact CD2-CG2 4.27Å; W574-T578 HydrophobicContact CG-CG2 4.48Å; W574-T578 HydrophobicContact CZ2-CG2 4.01Å; W574-T578 WeakPolarHBondContact O-CB 3.28Å; W574-T578 PolarHBondContact O-N 2.84Å; W574-T578 PolarHBondContact O-OG1 3.46Å; W574-W582 AromaticContact CH2-CH2 3.49Å; W574-W582 HydrophobicContact CH2-CH2 3.49Å; W574-W582 VanDerWaalsContact CH2-CH2 3.49Å; W574-W582 HydrophobicContact CH2-CZ2 4.11Å; W574-W582 HydrophobicContact CH2-CZ3 4.38Å; W574-W582 HydrophobicContact CZ2-CH2 4.5Å; W574-W582 AromaticContact CZ3-CH2 3.6Å; W574-W582 HydrophobicContact CZ3-CH2 3.6Å; W574-W582 AromaticContact CZ3-CZ2 3.85Å; W574-W582 HydrophobicContact CZ3-CZ2 3.85Å; W574-W582 HydrophobicContact CZ3-CZ3 4.46Å; W574-L620 HydrophobicContact CZ3-CD2 4.47Å
575S78.1Confident73.3Confident4 Ų457.6 Ų57.63%0.02829%0.288CS..Hα-helixtrans-63.4-35.7177.378.90000112.8L571 Q572 A573 T578 K579 L620L571-S575 PolarHBondContact O-N 2.69Å; Q572-S575 WeakPolarHBondContact O-CB 3.49Å; Q572-S575 PolarHBondContact O-N 2.84Å; Q572-S575 PolarHBondContact O-OG 3.01Å; A573-S575 VanDerWaalsContact C-N 3.27Å; A573-S575 PolarHBondContact O-N 2.97Å; S575-T578 PolarHBondContact O-OG1 3.13Å; S575-K579 PolarHBondContact O-N 2.94Å; S575-L620 PolarHBondContact OG-N 2.82Å
576L80.9Confident70.7Confident17 Ų1759 Ų599%0.08930%0.3CS..Hα-helixtrans-71.7-40.6175.3-66.3176.4000112.2Q572 A573 W574 P617 D618 V619 M691 V695 I698Q572-L576 PolarHBondContact O-N 3.32Å; Q572-L576 VanDerWaalsContact O-N 3.15Å; A573-L576 PolarHBondContact O-N 2.83Å; W574-L576 VanDerWaalsContact C-N 3.31Å; W574-L576 PolarHBondContact O-N 2.93Å; L576-P617 HydrophobicContact CD2-CB 3.74Å; L576-P617 HydrophobicContact CD2-CG 4.11Å; L576-D618 WeakPolarHBondContact CD2-O 3.21Å; L576-V619 HydrophobicContact CD1-CG1 4Å; L576-V619 HydrophobicContact CD2-CG1 3.88Å; L576-V619 HydrophobicContact CG-CG1 3.86Å; L576-M691 HydrophobicContact CD1-CE 3.7Å; L576-V695 HydrophobicContact CD1-CG2 4.48Å; L576-I698 HydrophobicContact CB-CD1 4.04Å; L576-I698 HydrophobicContact CD1-CD1 4.22Å
577I76.8Confident68.2Low105 Ų10565.3 Ų65.354%0.53832%0.322SS..Hα-helixtrans-67.2-43.9180-67164.5000110.8A573 W574 K579 V695A573-I577 VanDerWaalsContact O-CG1 3.3Å; A573-I577 WeakPolarHBondContact O-CG1 3.34Å; A573-I577 PolarHBondContact O-N 3.37Å; W574-I577 PolarHBondContact O-N 2.84Å; I577-K579 VanDerWaalsContact C-N 3.26Å; I577-K579 PolarHBondContact O-N 3.29Å; I577-V695 HydrophobicContact CD1-CG1 4.07Å; I577-V695 HydrophobicContact CG1-CG1 3.61Å
578T69.6Low65.6Low65 Ų6569 Ų6940%0.39933%0.33SS..Hα-helixtrans-74.8-14.9-177.146.50000113.6W574 S575 G580W574-T578 HydrophobicContact CD2-CG2 4.27Å; W574-T578 HydrophobicContact CG-CG2 4.48Å; W574-T578 HydrophobicContact CZ2-CG2 4.01Å; W574-T578 WeakPolarHBondContact O-CB 3.28Å; W574-T578 PolarHBondContact O-N 2.84Å; W574-T578 PolarHBondContact O-OG1 3.46Å; S575-T578 PolarHBondContact O-OG1 3.13Å; T578-G580 PolarHBondContact O-N 3.38Å; T578-G580 VanDerWaalsContact O-N 3.12Å
579K61.8Low62.9Low186 Ų18675.9 Ų75.981%0.80936%0.363SS*.THydrogen-bonded Turntrans49.234.3-179.5-62.4-172.9176.6-175.30113.4S575 I577S575-K579 PolarHBondContact O-N 2.94Å; I577-K579 VanDerWaalsContact C-N 3.26Å; I577-K579 PolarHBondContact O-N 3.29Å
580G55.8Low60.3Low25 Ų2578.5 Ų78.526%0.25838%0.381SS..  trans-65.3138.7177.900000111.3T578 W582T578-G580 PolarHBondContact O-N 3.38Å; T578-G580 VanDerWaalsContact O-N 3.12Å; G580-W582 PolarHBondContact O-N 3.34Å; G580-W582 VanDerWaalsContact O-N 3.15Å; G580-W582 PolarHBondContact O-NE1 3.31Å; G580-W582 VanDerWaalsContact O-NE1 3.11Å
581D55.9Low57.8Low119 Ų11979.2 Ų79.264%0.63639%0.389SS*.  trans-80.487.3168.5-172.94.4000109.1K583 S584D581-K583 PolarHBondContact O-N 2.97Å; D581-K583 WeakPolarHBondContact OD1-CB 3.31Å; D581-K583 PolarHBondContact OD1-N 3.47Å; D581-S584 PolarHBondContact O-OG 2.59Å
582W51.7Low55.3Low37 Ų3779.2 Ų79.214%0.1439%0.39CS..G310 helixtrans-79.3-5.8-174.3-49.3108.9000112.8W574 G580 S584 F585 L620 Q656W574-W582 AromaticContact CH2-CH2 3.49Å; W574-W582 HydrophobicContact CH2-CH2 3.49Å; W574-W582 VanDerWaalsContact CH2-CH2 3.49Å; W574-W582 HydrophobicContact CH2-CZ2 4.11Å; W574-W582 HydrophobicContact CH2-CZ3 4.38Å; W574-W582 HydrophobicContact CZ2-CH2 4.5Å; W574-W582 AromaticContact CZ3-CH2 3.6Å; W574-W582 HydrophobicContact CZ3-CH2 3.6Å; W574-W582 AromaticContact CZ3-CZ2 3.85Å; W574-W582 HydrophobicContact CZ3-CZ2 3.85Å; W574-W582 HydrophobicContact CZ3-CZ3 4.46Å; G580-W582 PolarHBondContact O-N 3.34Å; G580-W582 VanDerWaalsContact O-N 3.15Å; G580-W582 PolarHBondContact O-NE1 3.31Å; G580-W582 VanDerWaalsContact O-NE1 3.11Å; W582-S584 PolarHBondContact O-N 3.47Å; W582-S584 VanDerWaalsContact O-N 3.13Å; W582-F585 HydrophobicContact CE3-CD2 4.2Å; W582-F585 HydrophobicContact CE3-CE2 4.08Å; W582-F585 HydrophobicContact CZ3-CE2 4.33Å; W582-F585 WeakPolarHBondContact O-CB 3.42Å; W582-F585 PolarHBondContact O-N 3.48Å; W582-L620 HydrophobicContact CB-CD1 4.1Å; W582-L620 HydrophobicContact CD2-CD1 4.07Å; W582-L620 HydrophobicContact CE3-CD1 4.23Å; W582-L620 HydrophobicContact CG-CD1 4Å; W582-Q656 HydrophobicContact CB-CB 4.08Å
583K48.4Very low52.7Low152 Ų15283.8 Ų83.866%0.66141%0.414SS*.G310 helixtrans-53.6-34.1175.4-71-172.7174.4-174.30112.5D581 F585 A586D581-K583 PolarHBondContact O-N 2.97Å; D581-K583 WeakPolarHBondContact OD1-CB 3.31Å; D581-K583 PolarHBondContact OD1-N 3.47Å; K583-F585 PolarHBondContact O-N 3.23Å; K583-A586 WeakPolarHBondContact O-CB 3.38Å; K583-A586 PolarHBondContact O-N 3.24Å; K583-A586 VanDerWaalsContact O-N 3.08Å
584S46.9Very low50.4Low88 Ų8890.7 Ų90.762%0.61545%0.451SS*.G310 helixtrans-65.2-18.2177.965.60000114.9D581 W582D581-S584 PolarHBondContact O-OG 2.59Å; W582-S584 PolarHBondContact O-N 3.47Å; W582-S584 VanDerWaalsContact O-N 3.13Å
585F42.6Very low48.1Very low68 Ų6890.2 Ų90.230%0.29846%0.457SS..G310 helixtrans-82.9-27.9173.2-81.9-98.8000112.6K504 W582 K583 R587 V654K504-F585 HydrophobicContact CB-CE1 3.47Å; K504-F585 VanDerWaalsContact CB-CE1 3.47Å; K504-F585 HydrophobicContact CB-CZ 3.92Å; K504-F585 HydrophobicContact CD-CD1 4.4Å; K504-F585 HydrophobicContact CD-CE1 3.66Å; K504-F585 HydrophobicContact CD-CZ 3.77Å; K504-F585 HydrophobicContact CG-CE1 4.22Å; K504-F585 HydrophobicContact CG-CZ 4.4Å; W582-F585 HydrophobicContact CE3-CD2 4.2Å; W582-F585 HydrophobicContact CE3-CE2 4.08Å; W582-F585 HydrophobicContact CZ3-CE2 4.33Å; W582-F585 WeakPolarHBondContact O-CB 3.42Å; W582-F585 PolarHBondContact O-N 3.48Å; K583-F585 PolarHBondContact O-N 3.23Å; F585-R587 VanDerWaalsContact C-N 3.29Å; F585-R587 PolarHBondContact O-N 3.49Å; F585-V654 HydrophobicContact CB-CG1 4.25Å; F585-V654 HydrophobicContact CD1-CG1 4.35Å
586A37.9Very low46.1Very low31 Ų3193 Ų9326%0.25647%0.468SS..  trans-7481.4-179.500000109.8K583 R588 H655K583-A586 WeakPolarHBondContact O-CB 3.38Å; K583-A586 PolarHBondContact O-N 3.24Å; K583-A586 VanDerWaalsContact O-N 3.08Å; A586-R588 HydrophobicContact CB-CB 4.45Å; A586-R588 PolarHBondContact O-N 2.51Å; A586-H655 HydrophobicContact CB-CB 4.12Å
587R38.4Very low44Very low176 Ų176100.4 Ų100.466%0.66450%0.502SS*.THydrogen-bonded Turntrans-69.736.9155.4-82.3-167.2-178.7-177-0.1111.4F585 E589 S590F585-R587 VanDerWaalsContact C-N 3.29Å; F585-R587 PolarHBondContact O-N 3.49Å; R587-E589 PolarHBondContact O-N 3.3Å; R587-S590 PolarHBondContact O-N 3.09Å
588R31.5Very low42.4Very low102 Ų102101.5 Ų101.539%0.38551%0.509SS..Hα-helixtrans-60.1-35.2168-134.8-177.5-173.7161.96.9108.7A586 L592A586-R588 HydrophobicContact CB-CB 4.45Å; A586-R588 PolarHBondContact O-N 2.51Å; R588-L592 HydrophobicContact CB-CD1 4.13Å; R588-L592 HydrophobicContact CG-CD1 3.78Å; R588-L592 HydrophobicContact CG-CG 4.44Å; R588-L592 WeakPolarHBondContact O-CB 3.5Å; R588-L592 WeakPolarHBondContact O-CD1 3.34Å; R588-L592 WeakPolarHBondContact O-CG 3.49Å; R588-L592 PolarHBondContact O-N 3.48Å
589E33.5Very low41Very low146 Ų14699.2 Ų99.268%0.68250%0.495SS*.Hα-helixtrans-60.4-48.6177.6-75.2177.9171.600112.6R587 L591 L592 D593R587-E589 PolarHBondContact O-N 3.3Å; E589-L591 VanDerWaalsContact C-N 3.34Å; E589-L591 PolarHBondContact O-N 2.96Å; E589-L592 CarbonylContact O-C 3.58Å; E589-L592 PolarHBondContact O-N 2.89Å; E589-L592 VanDerWaalsContact O-N 3.14Å; E589-D593 WeakPolarHBondContact O-CB 3.34Å; E589-D593 PolarHBondContact O-N 3.24Å
590S36.6Very low40Very low55 Ų5595.4 Ų95.439%0.38548%0.484SS..Hα-helixtrans-72-23.7-174.863.20000115.4R587 N594R587-S590 PolarHBondContact O-N 3.09Å; S590-N594 PolarHBondContact O-ND2 2.81Å
591L31.9Very low39.4Very low124 Ų12498 Ų9865%0.64950%0.498SS*.Hα-helixtrans-84.7-29.9172.6-129.2113.5000111.2E589 L595E589-L591 VanDerWaalsContact C-N 3.34Å; E589-L591 PolarHBondContact O-N 2.96Å; L591-L595 HydrophobicContact CD2-CD1 4.12Å; L591-L595 WeakPolarHBondContact O-CB 2.92Å; L591-L595 PolarHBondContact O-N 3.13Å
592L30.5Very low38.7Very low41 Ų4195.2 Ų95.222%0.21548%0.483CS..Hα-helixtrans-75.6-38.9175-72.7169000112.2R588 E589 N594 L595 F596 I603R588-L592 HydrophobicContact CB-CD1 4.13Å; R588-L592 HydrophobicContact CG-CD1 3.78Å; R588-L592 HydrophobicContact CG-CG 4.44Å; R588-L592 WeakPolarHBondContact O-CB 3.5Å; R588-L592 WeakPolarHBondContact O-CD1 3.34Å; R588-L592 WeakPolarHBondContact O-CG 3.49Å; R588-L592 PolarHBondContact O-N 3.48Å; E589-L592 CarbonylContact O-C 3.58Å; E589-L592 PolarHBondContact O-N 2.89Å; E589-L592 VanDerWaalsContact O-N 3.14Å; L592-N594 PolarHBondContact O-N 2.93Å; L592-L595 PolarHBondContact O-N 3.29Å; L592-L595 VanDerWaalsContact O-N 3.09Å; L592-F596 HydrophobicContact CD2-CB 4.42Å; L592-F596 HydrophobicContact CD2-CD2 3.38Å; L592-F596 HydrophobicContact CD2-CE2 3.92Å; L592-F596 HydrophobicContact CD2-CG 4.2Å; L592-F596 WeakPolarHBondContact O-CA 3.31Å; L592-F596 PolarHBondContact O-N 3.04Å; L592-I603 HydrophobicContact CD1-CD1 4.02Å; L592-I603 HydrophobicContact CD2-CD1 4.37Å
593D35.6Very low38.3Very low96 Ų9695.7 Ų95.751%0.51349%0.488SS..Hα-helixtrans-59.7-33.5178.8-69-15000111.2E589E589-D593 WeakPolarHBondContact O-CB 3.34Å; E589-D593 PolarHBondContact O-N 3.24Å
594N35Very low38.1Very low147 Ų14791.4 Ų91.479%0.78647%0.474SS*.THydrogen-bonded Turntrans-91.5-11.6178.8-73.2-43.6000114.6S590 L592S590-N594 PolarHBondContact O-ND2 2.81Å; L592-N594 PolarHBondContact O-N 2.93Å
595L31.2Very low38.1Very low111 Ų11191.4 Ų91.458%0.58147%0.467SS*.THydrogen-bonded Turntrans-114.6-15.6179.9-93143.1000114.1L591 L592L591-L595 HydrophobicContact CD2-CD1 4.12Å; L591-L595 WeakPolarHBondContact O-CB 2.92Å; L591-L595 PolarHBondContact O-N 3.13Å; L592-L595 PolarHBondContact O-N 3.29Å; L592-L595 VanDerWaalsContact O-N 3.09Å
596F36.7Very low38.1Very low63 Ų6390.8 Ų90.828%0.27647%0.467SS..  trans-149.851.2-165.2-61.2-73.4000114.6L592 N598 V599 V727L592-F596 HydrophobicContact CD2-CB 4.42Å; L592-F596 HydrophobicContact CD2-CD2 3.38Å; L592-F596 HydrophobicContact CD2-CE2 3.92Å; L592-F596 HydrophobicContact CD2-CG 4.2Å; L592-F596 WeakPolarHBondContact O-CA 3.31Å; L592-F596 PolarHBondContact O-N 3.04Å; F596-N598 PolarHBondContact O-N 3.21Å; F596-V599 HydrophobicContact CB-CB 4.04Å; F596-V599 HydrophobicContact CB-CG2 3.77Å; F596-V599 HydrophobicContact CD1-CB 4.5Å; F596-V599 HydrophobicContact CD1-CG2 3.56Å; F596-V599 HydrophobicContact CG-CG2 4.02Å; F596-V599 PolarHBondContact O-N 3.4Å; F596-V727 HydrophobicContact CE1-CG1 4.21Å
597E36.7Very low38.2Very low171 Ų17194.4 Ų94.480%0.79948%0.478SS*.THydrogen-bonded Turntrans-53.8-11.5167.5-83-173.2152.800114
598N43.2Very low38.7Very low129 Ų12991.8 Ų91.869%0.6947%0.472SS*.THydrogen-bonded Turntrans-113.611.3-176.5-78.8-49.7000115.4F596F596-N598 PolarHBondContact O-N 3.21Å
599V39.2Very low39.4Very low16 Ų1689 Ų8910%0.09747%0.471CS..  trans-116-0.8-177.2-161.90000113.3F596 S601 L602 I603 L731F596-V599 HydrophobicContact CB-CB 4.04Å; F596-V599 HydrophobicContact CB-CG2 3.77Å; F596-V599 HydrophobicContact CD1-CB 4.5Å; F596-V599 HydrophobicContact CD1-CG2 3.56Å; F596-V599 HydrophobicContact CG-CG2 4.02Å; F596-V599 PolarHBondContact O-N 3.4Å; V599-S601 PolarHBondContact O-N 3.5Å; V599-S601 VanDerWaalsContact O-N 3.11Å; V599-L602 HydrophobicContact CG1-CB 3.8Å; V599-L602 HydrophobicContact CG1-CD2 4.28Å; V599-L602 PolarHBondContact O-N 3.04Å; V599-I603 HydrophobicContact CG1-CD1 4.44Å; V599-I603 HydrophobicContact CG1-CG1 4.1Å; V599-I603 PolarHBondContact O-N 3.2Å; V599-L731 HydrophobicContact CB-CD1 4.37Å; V599-L731 HydrophobicContact CG1-CD1 3.7Å; V599-L731 HydrophobicContact CG1-CD2 4.27Å; V599-L731 HydrophobicContact CG2-CD1 3.6Å
600D40.4Very low39.9Very low106 Ų10686.2 Ų86.257%0.56746%0.464SS*.Hα-helixtrans-53.1-37.9178.5-80.3-15.5000113.2T604D600-T604 VanDerWaalsContact O-CB 3.27Å; D600-T604 WeakPolarHBondContact O-CB 3.4Å; D600-T604 PolarHBondContact O-N 2.99Å; D600-T604 PolarHBondContact O-OG1 3.22Å
601S44.2Very low40.4Very low80 Ų8088.7 Ų88.756%0.55947%0.469SS*.Hα-helixtrans-70.4-39.5177.492.50000112.4V599 T604 D605V599-S601 PolarHBondContact O-N 3.5Å; V599-S601 VanDerWaalsContact O-N 3.11Å; S601-T604 PolarHBondContact O-N 2.84Å; S601-D605 WeakPolarHBondContact O-CB 3.47Å; S601-D605 PolarHBondContact O-N 2.67Å
602L41.1Very low41.2Very low61 Ų6186.9 Ų86.932%0.31947%0.467SS..Hα-helixtrans-71.8-39.1177.7-161.689.7000110.7V599 T604 D605 L606 L731V599-L602 HydrophobicContact CG1-CB 3.8Å; V599-L602 HydrophobicContact CG1-CD2 4.28Å; V599-L602 PolarHBondContact O-N 3.04Å; L602-T604 VanDerWaalsContact C-N 3.27Å; L602-T604 PolarHBondContact O-N 3.27Å; L602-D605 PolarHBondContact O-N 3.24Å; L602-L606 HydrophobicContact CD2-CD1 3.66Å; L602-L606 HydrophobicContact CG-CD1 3.83Å; L602-L606 HydrophobicContact CG-CG 4.41Å; L602-L606 WeakPolarHBondContact O-CA 3.21Å; L602-L606 WeakPolarHBondContact O-CB 3.26Å; L602-L606 WeakPolarHBondContact O-CD1 3.43Å; L602-L606 VanDerWaalsContact O-CG 3.3Å; L602-L606 WeakPolarHBondContact O-CG 3.25Å; L602-L606 PolarHBondContact O-N 3.27Å; L602-L731 HydrophobicContact CB-CD2 3.97Å; L602-L731 HydrophobicContact CD1-CD2 4.19Å; L602-L731 HydrophobicContact CD2-CD1 4.23Å; L602-L731 HydrophobicContact CD2-CD2 3.75Å; L602-L731 HydrophobicContact CD2-CG 3.97Å; L602-L731 HydrophobicContact CG-CD2 4.16Å
603I42.1Very low42.2Very low47 Ų4790.3 Ų90.324%0.24148%0.478CS..Hα-helixtrans-60.4-41.4171.9-70.2171000109.7L592 V599 Q607L592-I603 HydrophobicContact CD1-CD1 4.02Å; L592-I603 HydrophobicContact CD2-CD1 4.37Å; V599-I603 HydrophobicContact CG1-CD1 4.44Å; V599-I603 HydrophobicContact CG1-CG1 4.1Å; V599-I603 PolarHBondContact O-N 3.2Å; I603-Q607 HydrophobicContact CG2-CG 4.43Å; I603-Q607 VanDerWaalsContact O-CB 3.25Å; I603-Q607 WeakPolarHBondContact O-CB 3.39Å; I603-Q607 VanDerWaalsContact O-CG 3.29Å; I603-Q607 WeakPolarHBondContact O-CG 3.37Å; I603-Q607 PolarHBondContact O-N 3.09Å
604T44.8Very low43Very low62 Ų6291.8 Ų91.838%0.3848%0.481SS..Hα-helixtrans-66-44.4177.3-57.80000111.7D600 S601 L602 Q607 K608D600-T604 VanDerWaalsContact O-CB 3.27Å; D600-T604 WeakPolarHBondContact O-CB 3.4Å; D600-T604 PolarHBondContact O-N 2.99Å; D600-T604 PolarHBondContact O-OG1 3.22Å; S601-T604 PolarHBondContact O-N 2.84Å; L602-T604 VanDerWaalsContact C-N 3.27Å; L602-T604 PolarHBondContact O-N 3.27Å; T604-Q607 PolarHBondContact O-N 3.08Å; T604-K608 WeakPolarHBondContact O-CG 3.43Å; T604-K608 PolarHBondContact O-N 3.37Å
605D47.5Very low44.5Very low87 Ų8788.9 Ų88.947%0.46547%0.465SS..Hα-helixtrans-74.3-29.1179.6-69.2-25000112.1S601 L602 K608 A609S601-D605 WeakPolarHBondContact O-CB 3.47Å; S601-D605 PolarHBondContact O-N 2.67Å; L602-D605 PolarHBondContact O-N 3.24Å; D605-K608 WeakPolarHBondContact O-CB 3.26Å; D605-K608 PolarHBondContact O-N 3.07Å; D605-K608 IonicContact OD1-NZ 3.72Å; D605-K608 PolarHBondContact OD1-NZ 3.47Å; D605-A609 WeakPolarHBondContact O-CB 3.49Å; D605-A609 PolarHBondContact O-N 3.33Å
606L41.8Very low46.5Very low56 Ų5684.2 Ų84.229%0.29344%0.441SS..Hα-helixtrans-71.7-40.8169.3-85.4159.4000111.9L602 K608 A609 V610 W717L602-L606 HydrophobicContact CD2-CD1 3.66Å; L602-L606 HydrophobicContact CG-CD1 3.83Å; L602-L606 HydrophobicContact CG-CG 4.41Å; L602-L606 WeakPolarHBondContact O-CA 3.21Å; L602-L606 WeakPolarHBondContact O-CB 3.26Å; L602-L606 WeakPolarHBondContact O-CD1 3.43Å; L602-L606 VanDerWaalsContact O-CG 3.3Å; L602-L606 WeakPolarHBondContact O-CG 3.25Å; L602-L606 PolarHBondContact O-N 3.27Å; L606-K608 VanDerWaalsContact C-N 3.26Å; L606-K608 PolarHBondContact O-N 3.07Å; L606-A609 PolarHBondContact O-N 3.07Å; L606-A609 VanDerWaalsContact O-N 3.15Å; L606-V610 WeakPolarHBondContact O-CB 3.36Å; L606-V610 WeakPolarHBondContact O-CG2 3.34Å; L606-V610 PolarHBondContact O-N 3.07Å; L606-W717 HydrophobicContact CD2-CH2 4.44Å; L606-W717 HydrophobicContact CD2-CZ2 4.2Å
607Q41Very low48.5Very low107 Ų10784 Ų8450%0.545%0.445SS..Hα-helixtrans-57-46.3170.4-86.1177-14.700108.6I603 T604 A609 V610 E611I603-Q607 HydrophobicContact CG2-CG 4.43Å; I603-Q607 VanDerWaalsContact O-CB 3.25Å; I603-Q607 WeakPolarHBondContact O-CB 3.39Å; I603-Q607 VanDerWaalsContact O-CG 3.29Å; I603-Q607 WeakPolarHBondContact O-CG 3.37Å; I603-Q607 PolarHBondContact O-N 3.09Å; T604-Q607 PolarHBondContact O-N 3.08Å; Q607-A609 PolarHBondContact O-N 3.13Å; Q607-V610 PolarHBondContact O-N 2.9Å; Q607-E611 WeakPolarHBondContact O-CA 3.45Å; Q607-E611 WeakPolarHBondContact O-CB 3.48Å; Q607-E611 WeakPolarHBondContact O-CG 3.4Å; Q607-E611 PolarHBondContact O-N 3.16Å
608K47.7Very low50.6Low120 Ų12078.8 Ų78.852%0.52242%0.423SS..Hα-helixtrans-61.7-41.3173.2-73.1174.1-171.8160.40113.5T604 D605 L606 E611 S612T604-K608 WeakPolarHBondContact O-CG 3.43Å; T604-K608 PolarHBondContact O-N 3.37Å; D605-K608 WeakPolarHBondContact O-CB 3.26Å; D605-K608 PolarHBondContact O-N 3.07Å; D605-K608 IonicContact OD1-NZ 3.72Å; D605-K608 PolarHBondContact OD1-NZ 3.47Å; L606-K608 VanDerWaalsContact C-N 3.26Å; L606-K608 PolarHBondContact O-N 3.07Å; K608-E611 PolarHBondContact O-N 3.5Å; K608-S612 WeakPolarHBondContact O-CB 3.41Å; K608-S612 PolarHBondContact O-N 3.25Å
609A46.2Very low52.6Low45 Ų4572.6 Ų72.637%0.37239%0.39SS..Hα-helixtrans-66.7-44.3-179.700000111.5D605 L606 Q607 S612 Y613D605-A609 WeakPolarHBondContact O-CB 3.49Å; D605-A609 PolarHBondContact O-N 3.33Å; L606-A609 PolarHBondContact O-N 3.07Å; L606-A609 VanDerWaalsContact O-N 3.15Å; Q607-A609 PolarHBondContact O-N 3.13Å; A609-S612 WeakPolarHBondContact O-CB 3.29Å; A609-S612 PolarHBondContact O-N 3.15Å; A609-S612 PolarHBondContact O-OG 3.12Å; A609-Y613 WeakPolarHBondContact O-CD2 3.29Å
610V45.2Very low54.5Low87 Ų8772.6 Ų72.653%0.52739%0.389SS..Hα-helixtrans-70.6-38.9175.4176.80000111.1L606 Q607 S612 Y613 Q614L606-V610 WeakPolarHBondContact O-CB 3.36Å; L606-V610 WeakPolarHBondContact O-CG2 3.34Å; L606-V610 PolarHBondContact O-N 3.07Å; Q607-V610 PolarHBondContact O-N 2.9Å; V610-S612 PolarHBondContact O-N 3.38Å; V610-Y613 CarbonylContact O-C 3.47Å; V610-Y613 WeakPolarHBondContact O-CA 3.48Å; V610-Y613 PolarHBondContact O-N 2.76Å; V610-Q614 PolarHBondContact O-N 2.58Å
611E46.8Very low56.4Low107 Ų10767.6 Ų67.650%0.536%0.362SS..Hα-helixtrans-59.4-34.5172.3-78.3172.6177.800111.4Q607 K608 Y613 Q614Q607-E611 WeakPolarHBondContact O-CA 3.45Å; Q607-E611 WeakPolarHBondContact O-CB 3.48Å; Q607-E611 WeakPolarHBondContact O-CG 3.4Å; Q607-E611 PolarHBondContact O-N 3.16Å; K608-E611 PolarHBondContact O-N 3.5Å; E611-Y613 PolarHBondContact O-N 3.3Å; E611-Y613 VanDerWaalsContact O-N 3.15Å; E611-Q614 WeakPolarHBondContact O-CB 3.35Å; E611-Q614 PolarHBondContact O-N 2.95Å
612S47.8Very low58.1Low86 Ų8663.8 Ų63.860%0.60134%0.336SS*.THydrogen-bonded Turntrans-65.7-15.5175.482.70000113.4K608 A609 V610K608-S612 WeakPolarHBondContact O-CB 3.41Å; K608-S612 PolarHBondContact O-N 3.25Å; A609-S612 WeakPolarHBondContact O-CB 3.29Å; A609-S612 PolarHBondContact O-N 3.15Å; A609-S612 PolarHBondContact O-OG 3.12Å; V610-S612 PolarHBondContact O-N 3.38Å
613Y51.3Low59.6Low112 Ų11261.1 Ų61.144%0.43932%0.323SS..THydrogen-bonded Turntrans-111.521.6176.4-65.8-73.3000113.9A609 V610 E611 I615A609-Y613 WeakPolarHBondContact O-CD2 3.29Å; V610-Y613 CarbonylContact O-C 3.47Å; V610-Y613 WeakPolarHBondContact O-CA 3.48Å; V610-Y613 PolarHBondContact O-N 2.76Å; E611-Y613 PolarHBondContact O-N 3.3Å; E611-Y613 VanDerWaalsContact O-N 3.15Å; Y613-I615 PolarHBondContact O-N 3.46Å
614Q53Low61.1Low127 Ų12759.2 Ų59.259%0.59331%0.314SS*.THydrogen-bonded Turntrans-66.162.9175.9-90.7-173.6-5.200113.7V610 E611V610-Q614 PolarHBondContact O-N 2.58Å; E611-Q614 WeakPolarHBondContact O-CB 3.35Å; E611-Q614 PolarHBondContact O-N 2.95Å
615I66.8Low63Low86 Ų8656.3 Ų56.344%0.44130%0.295SS..THydrogen-bonded Turntrans-82.2-30.2168-57.3173000109.6Y613 I702Y613-I615 PolarHBondContact O-N 3.46Å; I615-I702 HydrophobicContact CG2-CG1 4.22Å; I615-I702 HydrophobicContact CG2-CG2 4.15Å; I615-I702 WeakPolarHBondContact O-CD1 3.16Å
616M73.8Confident64.7Low14 Ų1454.7 Ų54.77%0.06928%0.284CS..SBendtrans-119.8139.8179.4-168.7168.9166.500110.4F659 Y687 M691 M699 I702 I710M616-F659 HydrophobicContact CE-CB 4.25Å; M616-F659 HydrophobicContact CE-CD1 4.01Å; M616-F659 HydrophobicContact CE-CG 4.19Å; M616-F659 HydrophobicContact SD-CD1 3.5Å; M616-F659 VanDerWaalsContact SD-CD1 3.5Å; M616-F659 HydrophobicContact SD-CE1 3.83Å; M616-F659 HydrophobicContact SD-CG 4.23Å; M616-Y687 HydrophobicContact CE-CE1 4.49Å; M616-M691 HydrophobicContact CE-CE 3.83Å; M616-M699 HydrophobicContact CE-SD 4.12Å; M616-M699 HydrophobicContact SD-CE 4.48Å; M616-M699 HydrophobicContact SD-SD 4.38Å; M616-I702 HydrophobicContact CB-CD1 4.01Å; M616-I702 HydrophobicContact CG-CD1 4.03Å; M616-I710 HydrophobicContact CB-CD1 4.34Å
617P77.8Confident66.4Low58 Ų5852.3 Ų52.338%0.37727%0.273SS..  trans-70.8150.7177.8-6.520.9000111.8L576 I698L576-P617 HydrophobicContact CD2-CB 3.74Å; L576-P617 HydrophobicContact CD2-CG 4.11Å; P617-I698 HydrophobicContact CG-CG2 3.92Å
618D81.1Confident67.9Low61 Ų6149.3 Ų49.333%0.32626%0.263SS..  trans-61144.2173.8-65.7-21.5000111.5L576 Q656 G657L576-D618 WeakPolarHBondContact CD2-O 3.21Å; D618-Q656 HydrophobicContact CB-CG 3.65Å; D618-G657 WeakPolarHBondContact CA-O 3.18Å
619V84.8Confident69.3Low0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-119.1169.9-179.4-59.40000110.3Q572 L576 V621 Q656 G657 F659Q572-V619 HydrophobicContact CB-CB 3.85Å; Q572-V619 HydrophobicContact CB-CG1 4.06Å; Q572-V619 HydrophobicContact CB-CG2 4.02Å; Q572-V619 HydrophobicContact CG-CB 3.92Å; Q572-V619 HydrophobicContact CG-CG2 3.63Å; L576-V619 HydrophobicContact CD1-CG1 4Å; L576-V619 HydrophobicContact CD2-CG1 3.88Å; L576-V619 HydrophobicContact CG-CG1 3.86Å; V619-V621 HydrophobicContact CG2-CG2 4.26Å; V619-V621 PolarHBondContact O-N 2.92Å; V619-Q656 WeakPolarHBondContact O-CA 3.49Å; V619-G657 PolarHBondContact N-O 3.24Å; V619-G657 PolarHBondContact O-N 2.79Å; V619-F659 VanDerWaalsContact CG2-CA 3.46Å; V619-F659 HydrophobicContact CG2-CB 3.78Å
620L78.8Confident71Confident16 Ų1641.9 Ų41.98%0.08422%0.223CC..EExtended strand (participates in β ladder)trans-74118.1167.9-170.871.8000109.7Q572 W574 S575 W582 V654Q572-L620 WeakPolarHBondContact CG-O 3.16Å; W574-L620 HydrophobicContact CZ3-CD2 4.47Å; S575-L620 PolarHBondContact OG-N 2.82Å; W582-L620 HydrophobicContact CB-CD1 4.1Å; W582-L620 HydrophobicContact CD2-CD1 4.07Å; W582-L620 HydrophobicContact CE3-CD1 4.23Å; W582-L620 HydrophobicContact CG-CD1 4Å; L620-V654 HydrophobicContact CD1-CG1 4.11Å
621V80.6Confident72.5Confident0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-101133-179.7176.50000108.9V619 V654 H655 S658 E661 D662V619-V621 HydrophobicContact CG2-CG2 4.26Å; V619-V621 PolarHBondContact O-N 2.92Å; V621-V654 VanDerWaalsContact O-CA 3.28Å; V621-V654 WeakPolarHBondContact O-CA 3.45Å; V621-V654 WeakPolarHBondContact O-CG2 3.26Å; V621-H655 WeakPolarHBondContact CB-O 3.29Å; V621-H655 PolarHBondContact N-O 3.29Å; V621-H655 PolarHBondContact O-N 3.15Å; V621-H655 VanDerWaalsContact O-N 3.12Å; V621-S658 WeakPolarHBondContact CG2-O 3.4Å; V621-E661 HydrophobicContact CG1-CB 3.74Å; V621-D662 WeakPolarHBondContact CA-OD2 3.32Å; V621-D662 WeakPolarHBondContact CG1-OD1 3.46Å
622H79.8Confident74.1Confident0 Ų033.9 Ų33.90%018%0.181CC..  trans-70.5-38.5175.2177-71.9000111.5I568 D624 Y625 I648 I649 D650 W651 L653 V654 D662I568-H622 HydrophobicContact CD1-CB 4.34Å; H622-D624 VanDerWaalsContact C-N 3.27Å; H622-D624 PolarHBondContact CE1-O 3.23Å; H622-D624 VanDerWaalsContact CE1-O 3.31Å; H622-D624 VanDerWaalsContact ND1-C 3.26Å; H622-D624 PolarHBondContact ND1-N 3.21Å; H622-D624 PolarHBondContact ND1-O 2.89Å; H622-D624 PolarHBondContact O-N 2.85Å; H622-Y625 HydrophobicContact CB-CD2 4.17Å; H622-Y625 AromaticContact CG-CD2 3.96Å; H622-Y625 PolarHBondContact ND1-N 3.11Å; H622-I648 WeakPolarHBondContact NE2-CG2 3.42Å; H622-I649 PolarHBondContact CE1-O 2.83Å; H622-I649 PolarHBondContact NE2-O 3.41Å; H622-D650 PolarHBondContact CE1-O 2.64Å; H622-W651 HydrophobicContact CB-CE3 4.07Å; H622-W651 HydrophobicContact CB-CZ3 3.96Å; H622-W651 AromaticContact CD2-CD2 3.25Å; H622-W651 AromaticContact CD2-CE2 3.61Å; H622-W651 AromaticContact CD2-CE3 3.17Å; H622-W651 AromaticContact CD2-CG 3.86Å; H622-W651 AromaticContact CD2-CH2 3.83Å; H622-W651 AromaticContact CD2-CZ2 3.9Å; H622-W651 AromaticContact CD2-CZ3 3.47Å; H622-W651 VanDerWaalsContact CD2-CZ3 3.47Å; H622-W651 WeakPolarHBondContact CD2-CZ3 3.45Å; H622-W651 AromaticContact CG-CE3 3.82Å; H622-W651 AromaticContact NE2-CD2 3.63Å; H622-W651 AromaticContact NE2-CE2 3.92Å; H622-W651 AromaticContact NE2-CE3 4Å; H622-W651 AromaticContact NE2-CG 3.74Å; H622-L653 CarbonylContact O-C 3.53Å; H622-L653 VanDerWaalsContact O-C 3.25Å; H622-V654 PolarHBondContact O-N 3.15Å; H622-D662 WeakPolarHBondContact CA-OD1 3.37Å; H622-D662 WeakPolarHBondContact CB-OD1 3.36Å; H622-D662 VanDerWaalsContact N-CG 3.33Å; H622-D662 PolarHBondContact N-OD1 2.98Å; H622-D662 PolarHBondContact N-OD2 3.22Å
623G72.4Confident75.5Confident5 Ų534.5 Ų34.55%0.05217%0.173CC..SBendtrans87.2-25.7170.400000114.9D662 Y665G623-D662 PolarHBondContact N-OD1 3.37Å; G623-Y665 WeakPolarHBondContact O-CE2 3.31Å
624D73.6Confident76.6Confident8 Ų830.5 Ų30.54%0.04316%0.16CC..  trans-12849169.5-16618.3000112.4H622 K626 N629 L653 Y665H622-D624 VanDerWaalsContact C-N 3.27Å; H622-D624 PolarHBondContact CE1-O 3.23Å; H622-D624 VanDerWaalsContact CE1-O 3.31Å; H622-D624 VanDerWaalsContact ND1-C 3.26Å; H622-D624 PolarHBondContact ND1-N 3.21Å; H622-D624 PolarHBondContact ND1-O 2.89Å; H622-D624 PolarHBondContact O-N 2.85Å; D624-K626 PolarHBondContact O-N 2.89Å; D624-K626 WeakPolarHBondContact OD1-CD 3.37Å; D624-K626 WeakPolarHBondContact OD1-CE 3.39Å; D624-K626 IonicContact OD1-NZ 2.74Å; D624-K626 PolarHBondContact OD1-NZ 3.39Å; D624-K626 WeakPolarHBondContact OD2-CE 3.5Å; D624-K626 IonicContact OD2-NZ 2.99Å; D624-K626 PolarHBondContact OD2-NZ 3.39Å; D624-N629 VanDerWaalsContact CG-ND2 3.33Å; D624-N629 PolarHBondContact O-ND2 3.36Å; D624-N629 PolarHBondContact OD2-ND2 3.01Å; D624-L653 HydrophobicContact CB-CD1 4.1Å; D624-L653 HydrophobicContact CB-CG 4.43Å; D624-Y665 WeakPolarHBondContact OD1-CE1 3.42Å
625Y85.5Confident77.4Confident0 Ų028.6 Ų28.60%015%0.154CC..  trans-80.975.9-171.3-161.8-118.1000113.1C564 I568 H622 I630 I648 D662 L666C564-Y625 HydrophobicContact CB-CE1 4.32Å; C564-Y625 PolarHBondContact O-OH 2.94Å; I568-Y625 HydrophobicContact CB-CD1 4.37Å; I568-Y625 HydrophobicContact CB-CE1 3.77Å; I568-Y625 HydrophobicContact CD1-CD1 4.39Å; I568-Y625 HydrophobicContact CD1-CD2 4.15Å; I568-Y625 HydrophobicContact CD1-CE1 4.34Å; I568-Y625 HydrophobicContact CD1-CE2 4.11Å; I568-Y625 HydrophobicContact CD1-CG 4.31Å; I568-Y625 HydrophobicContact CG1-CD1 4.36Å; I568-Y625 HydrophobicContact CG1-CE1 4.22Å; I568-Y625 HydrophobicContact CG2-CE1 4.15Å; H622-Y625 HydrophobicContact CB-CD2 4.17Å; H622-Y625 AromaticContact CG-CD2 3.96Å; H622-Y625 PolarHBondContact ND1-N 3.11Å; Y625-I630 HydrophobicContact CD2-CD1 4.36Å; Y625-I630 HydrophobicContact CE1-CD1 4.04Å; Y625-I630 HydrophobicContact CE2-CD1 3.8Å; Y625-I630 HydrophobicContact CE2-CG1 4.05Å; Y625-I648 HydrophobicContact CD2-CG2 4.1Å; Y625-I648 HydrophobicContact CE2-CD1 3.76Å; Y625-I648 HydrophobicContact CE2-CG1 4.02Å; Y625-I648 HydrophobicContact CE2-CG2 3.75Å; Y625-D662 HydrophobicContact CD1-CB 4.1Å; Y625-D662 HydrophobicContact CG-CB 4.17Å; Y625-L666 HydrophobicContact CD1-CB 4.17Å; Y625-L666 HydrophobicContact CD1-CD1 4.26Å; Y625-L666 HydrophobicContact CD1-CD2 4.39Å; Y625-L666 HydrophobicContact CE1-CD1 4.31Å; Y625-L666 HydrophobicContact CE1-CD2 4.13Å; Y625-L666 VanDerWaalsContact O-CA 3.24Å; Y625-L666 WeakPolarHBondContact O-CA 3.4Å; Y625-L666 WeakPolarHBondContact O-CB 3.44Å; Y625-L666 PolarHBondContact O-N 2.95Å; Y625-L666 VanDerWaalsContact O-N 3.16Å
626K82.4Confident77.1Confident54 Ų5431.6 Ų31.624%0.23518%0.176CC..  trans-119.3161.6-179.860-179.9-179.7-126.30112.9D624 S628 N629 I630 F669 S670D624-K626 PolarHBondContact O-N 2.89Å; D624-K626 WeakPolarHBondContact OD1-CD 3.37Å; D624-K626 WeakPolarHBondContact OD1-CE 3.39Å; D624-K626 IonicContact OD1-NZ 2.74Å; D624-K626 PolarHBondContact OD1-NZ 3.39Å; D624-K626 WeakPolarHBondContact OD2-CE 3.5Å; D624-K626 IonicContact OD2-NZ 2.99Å; D624-K626 PolarHBondContact OD2-NZ 3.39Å; K626-S628 VanDerWaalsContact C-N 3.26Å; K626-S628 WeakPolarHBondContact CD-OG 3.09Å; K626-S628 WeakPolarHBondContact CE-OG 3.35Å; K626-S628 WeakPolarHBondContact CG-OG 3.46Å; K626-S628 PolarHBondContact O-N 3.44Å; K626-S628 VanDerWaalsContact O-N 3.17Å; K626-N629 HydrophobicContact CG-CB 4.32Å; K626-N629 WeakPolarHBondContact O-CA 3.33Å; K626-N629 WeakPolarHBondContact O-CB 3.35Å; K626-N629 PolarHBondContact O-N 2.88Å; K626-I630 PolarHBondContact O-N 3.11Å; K626-F669 HydrophobicContact CB-CB 3.87Å; K626-S670 WeakPolarHBondContact CA-OG 3.47Å
627A78.6Confident76.5Confident6 Ų634.6 Ų34.65%0.0521%0.211CC..G310 helixtrans-59.6-29.1-174.700000114.6A550 L556 N629 I630 S670A550-A627 HydrophobicContact CB-CB 4.46Å; L556-A627 HydrophobicContact CD1-CB 4.26Å; L556-A627 HydrophobicContact CD2-CB 3.94Å; L556-A627 HydrophobicContact CG-CB 4.01Å; A627-N629 PolarHBondContact O-N 3.14Å; A627-I630 PolarHBondContact O-N 2.91Å; A627-I630 VanDerWaalsContact O-O 3.08Å; A627-S670 PolarHBondContact N-OG 3.14Å
628S72.5Confident75.6Confident43 Ų4336.3 Ų36.330%0.30122%0.22SC..G310 helixtrans-64.5-24.6173.360.40000112.5K626K626-S628 VanDerWaalsContact C-N 3.26Å; K626-S628 WeakPolarHBondContact CD-OG 3.09Å; K626-S628 WeakPolarHBondContact CE-OG 3.35Å; K626-S628 WeakPolarHBondContact CG-OG 3.46Å; K626-S628 PolarHBondContact O-N 3.44Å; K626-S628 VanDerWaalsContact O-N 3.17Å
629N76.7Confident74.7Confident9 Ų938.2 Ų38.25%0.04823%0.23CC..G310 helixtrans-97.16.7-178.1-64-1.4000111.6D624 K626 A627 I648 I649 D650D624-N629 VanDerWaalsContact CG-ND2 3.33Å; D624-N629 PolarHBondContact O-ND2 3.36Å; D624-N629 PolarHBondContact OD2-ND2 3.01Å; K626-N629 HydrophobicContact CG-CB 4.32Å; K626-N629 WeakPolarHBondContact O-CA 3.33Å; K626-N629 WeakPolarHBondContact O-CB 3.35Å; K626-N629 PolarHBondContact O-N 2.88Å; A627-N629 PolarHBondContact O-N 3.14Å; N629-I648 WeakPolarHBondContact O-CA 3.36Å; N629-I649 HydrophobicContact CB-CG1 4.4Å; N629-I649 WeakPolarHBondContact CB-O 3.37Å; N629-I649 WeakPolarHBondContact O-CG1 3.28Å; N629-I649 PolarHBondContact O-N 3.43Å; N629-D650 HydrophobicContact CB-CB 4.22Å; N629-D650 PolarHBondContact ND2-OD2 2.9Å
630I81.4Confident73.7Confident0 Ų041.7 Ų41.70%025%0.252CS..EExtended strand (participates in β ladder)trans-122.1115.1178.8-55.1172.1000108.3C564 Y625 K626 A627 F632 I645 L666C564-I630 HydrophobicContact CB-CD1 4.12Å; C564-I630 VanDerWaalsContact SG-CD1 3.55Å; Y625-I630 HydrophobicContact CD2-CD1 4.36Å; Y625-I630 HydrophobicContact CE1-CD1 4.04Å; Y625-I630 HydrophobicContact CE2-CD1 3.8Å; Y625-I630 HydrophobicContact CE2-CG1 4.05Å; K626-I630 PolarHBondContact O-N 3.11Å; A627-I630 PolarHBondContact O-N 2.91Å; A627-I630 VanDerWaalsContact O-O 3.08Å; I630-F632 HydrophobicContact CB-CE2 4.17Å; I630-F632 HydrophobicContact CB-CZ 4.37Å; I630-F632 HydrophobicContact CG2-CD2 4.43Å; I630-F632 HydrophobicContact CG2-CE1 4.22Å; I630-F632 HydrophobicContact CG2-CE2 3.81Å; I630-F632 HydrophobicContact CG2-CZ 3.69Å; I630-I645 HydrophobicContact CG2-CD1 4.07Å; I630-I645 HydrophobicContact CG2-CG1 3.91Å; I630-I645 HydrophobicContact CG2-CG2 4.07Å; I630-L666 HydrophobicContact CD1-CD1 3.82Å
631L77.2Confident73.3Confident26 Ų2642.1 Ų42.114%0.13626%0.258CS..EExtended strand (participates in β ladder)trans-94.4124.8176.5-63.1177.7000109.1L543 A547 A646 A647 I649L543-L631 HydrophobicContact CB-CD1 3.94Å; L543-L631 HydrophobicContact CD1-CD1 3.64Å; L543-L631 HydrophobicContact CG-CD1 4.46Å; A547-L631 HydrophobicContact CB-CB 3.81Å; L631-A646 WeakPolarHBondContact O-CA 3.48Å; L631-A646 WeakPolarHBondContact O-CB 3.31Å; L631-A646 PolarHBondContact O-N 3.16Å; L631-A647 HydrophobicContact CB-CB 4.45Å; L631-A647 PolarHBondContact N-O 3.37Å; L631-A647 PolarHBondContact O-N 3.42Å; L631-A647 VanDerWaalsContact O-N 3.14Å; L631-I649 HydrophobicContact CD1-CD1 4.29Å; L631-I649 HydrophobicContact CD1-CG2 4.2Å; L631-I649 HydrophobicContact CG-CD1 4.28Å
632F80.3Confident73.3Confident0 Ų042.9 Ų42.90%026%0.263CS..EExtended strand (participates in β ladder)trans-99.9144.5176.4-61.6-90.3000110.4A547 R548 A550 L556 Q560 I630 A641 S642 Q644 I645A547-F632 CarbonylContact C-O 3.46Å; A547-F632 WeakPolarHBondContact CA-O 3.43Å; A547-F632 WeakPolarHBondContact CB-O 3.47Å; R548-F632 PolarHBondContact N-O 2.98Å; R548-F632 PolarHBondContact O-N 3.33Å; A550-F632 HydrophobicContact CB-CD2 4.08Å; A550-F632 HydrophobicContact CB-CE2 3.7Å; L556-F632 HydrophobicContact CD2-CE2 3.82Å; L556-F632 HydrophobicContact CD2-CZ 3.57Å; Q560-F632 HydrophobicContact CB-CE1 3.75Å; Q560-F632 HydrophobicContact CB-CZ 3.95Å; Q560-F632 HydrophobicContact CG-CD1 4Å; Q560-F632 HydrophobicContact CG-CE1 3.7Å; Q560-F632 HydrophobicContact CG-CZ 4.14Å; I630-F632 HydrophobicContact CB-CE2 4.17Å; I630-F632 HydrophobicContact CB-CZ 4.37Å; I630-F632 HydrophobicContact CG2-CD2 4.43Å; I630-F632 HydrophobicContact CG2-CE1 4.22Å; I630-F632 HydrophobicContact CG2-CE2 3.81Å; I630-F632 HydrophobicContact CG2-CZ 3.69Å; F632-A641 HydrophobicContact CB-CB 3.96Å; F632-S642 WeakPolarHBondContact CB-O 3.39Å; F632-S642 WeakPolarHBondContact CD1-O 3.42Å; F632-Q644 CarbonylContact C-O 3.51Å; F632-Q644 VanDerWaalsContact CA-O 3.24Å; F632-Q644 WeakPolarHBondContact CA-O 2.98Å; F632-I645 HydrophobicContact CD1-CG1 4.04Å; F632-I645 HydrophobicContact CE1-CG1 3.78Å
633K77.4Confident73.3Confident99 Ų9945.2 Ų45.243%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-59.3142.3172.4-68.9-174.5-178.3176.30110S642 Q644 A646K633-S642 WeakPolarHBondContact O-CB 3.43Å; K633-S642 PolarHBondContact O-N 2.85Å; K633-S642 PolarHBondContact O-OG 3.36Å; K633-Q644 HydrophobicContact CB-CB 4.4Å; K633-Q644 HydrophobicContact CD-CB 4.25Å; K633-Q644 HydrophobicContact CG-CB 4.46Å; K633-Q644 PolarHBondContact N-O 3.03Å; K633-A646 HydrophobicContact CG-CB 3.8Å
634V74Confident73.6Confident29 Ų2950.4 Ų50.418%0.17630%0.302CS..EExtended strand (participates in β ladder)trans-84.5131.5178.1-178.50000110.2V546 R548 T636 N639V546-V634 PolarHBondContact O-N 3.22Å; R548-V634 HydrophobicContact CB-CG2 4.25Å; R548-V634 HydrophobicContact CG-CG2 3.87Å; V634-T636 PolarHBondContact O-N 3.24Å; V634-N639 WeakPolarHBondContact CG1-OD1 3.49Å
635D69.1Low73.8Confident86 Ų8652 Ų5246%0.4631%0.31SS..PPolyproline II helixtrans-72.6122.7169-93.8-39.9000109.9G637 T638 N639 T640D635-G637 PolarHBondContact O-N 3.1Å; D635-G637 VanDerWaalsContact O-N 3.08Å; D635-T638 PolarHBondContact O-N 2.71Å; D635-N639 WeakPolarHBondContact O-CA 3.44Å; D635-N639 PolarHBondContact O-N 3.24Å; D635-T640 PolarHBondContact N-O 3.27Å
636T61.7Low73.1Confident150 Ų15054.2 Ų54.292%0.9233%0.328SS*.THydrogen-bonded Turntrans-62.8-20.1-171.950.80000114.1V634V634-T636 PolarHBondContact O-N 3.24Å
637G60.9Low72.4Confident77 Ų7752.9 Ų52.979%0.79433%0.327SS*.THydrogen-bonded Turntrans-87.8-42.3179.800000114.8D635D635-G637 PolarHBondContact O-N 3.1Å; D635-G637 VanDerWaalsContact O-N 3.08Å
638T59.6Low72.1Confident93 Ų9354.3 Ų54.357%0.57133%0.334SS*.THydrogen-bonded Turntrans-100.9-12.9-174.752.10000113.1D635 T640D635-T638 PolarHBondContact O-N 2.71Å; T638-T640 WeakPolarHBondContact CB-OG1 3.38Å; T638-T640 PolarHBondContact O-N 3Å; T638-T640 PolarHBondContact OG1-OG1 3.4Å
639N61.2Low71.9Confident101 Ų10154.8 Ų54.854%0.5433%0.332SS..  trans5625.6-172.3-154.124.9000112.9V634 D635V634-N639 WeakPolarHBondContact CG1-OD1 3.49Å; D635-N639 WeakPolarHBondContact O-CA 3.44Å; D635-N639 PolarHBondContact O-N 3.24Å
640T64.8Low71.1Confident74 Ų7456 Ų5645%0.45434%0.339SS..SBendtrans-101.8156.6177.456.60000110.8D635 T638 S642D635-T640 PolarHBondContact N-O 3.27Å; T638-T640 WeakPolarHBondContact CB-OG1 3.38Å; T638-T640 PolarHBondContact O-N 3Å; T638-T640 PolarHBondContact OG1-OG1 3.4Å; T640-S642 PolarHBondContact O-N 3.36Å
641A69.6Low70.2Confident25 Ų2557.5 Ų57.521%0.20735%0.345CS..EExtended strand (participates in β ladder)trans-61.3120.4171.800000110.3Q560 F632Q560-A641 PolarHBondContact NE2-O 2.86Å; F632-A641 HydrophobicContact CB-CB 3.96Å
642S80.4Confident69.1Low15 Ų1561.3 Ų61.311%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-72.3-178.217273.60000110.8Q560 F632 K633 T640 Q644Q560-S642 PolarHBondContact NE2-O 2.73Å; F632-S642 WeakPolarHBondContact CB-O 3.39Å; F632-S642 WeakPolarHBondContact CD1-O 3.42Å; K633-S642 WeakPolarHBondContact O-CB 3.43Å; K633-S642 PolarHBondContact O-N 2.85Å; K633-S642 PolarHBondContact O-OG 3.36Å; T640-S642 PolarHBondContact O-N 3.36Å; S642-Q644 VanDerWaalsContact C-N 3.3Å; S642-Q644 PolarHBondContact OG-N 3.36Å; S642-Q644 VanDerWaalsContact OG-N 3.12Å
643S80.1Confident68.1Low49 Ų4965.2 Ų65.234%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-78.6-12.2170.3-55.20000113.2N563N563-S643 PolarHBondContact ND2-O 2.89Å
644Q78.6Confident67.4Low115 Ų11561.5 Ų61.554%0.53737%0.368SS..EExtended strand (participates in β ladder)trans-84.8126.8-175.7-66.8-167.7-4.700111.8F632 K633 S642F632-Q644 CarbonylContact C-O 3.51Å; F632-Q644 VanDerWaalsContact CA-O 3.24Å; F632-Q644 WeakPolarHBondContact CA-O 2.98Å; K633-Q644 HydrophobicContact CB-CB 4.4Å; K633-Q644 HydrophobicContact CD-CB 4.25Å; K633-Q644 HydrophobicContact CG-CB 4.46Å; K633-Q644 PolarHBondContact N-O 3.03Å; S642-Q644 VanDerWaalsContact C-N 3.3Å; S642-Q644 PolarHBondContact OG-N 3.36Å; S642-Q644 VanDerWaalsContact OG-N 3.12Å
645I78.2Confident67.1Low41 Ų4160.9 Ų60.921%0.2136%0.363CS..EExtended strand (participates in β ladder)trans-73.2129.8175.1-63.9171.2000109.4N563 C564 A567 I630 F632 I648N563-I645 HydrophobicContact CB-CD1 4.47Å; N563-I645 WeakPolarHBondContact O-CD1 3.39Å; C564-I645 HydrophobicContact CB-CD1 4.36Å; A567-I645 HydrophobicContact CB-CD1 3.71Å; I630-I645 HydrophobicContact CG2-CD1 4.07Å; I630-I645 HydrophobicContact CG2-CG1 3.91Å; I630-I645 HydrophobicContact CG2-CG2 4.07Å; F632-I645 HydrophobicContact CD1-CG1 4.04Å; F632-I645 HydrophobicContact CE1-CG1 3.78Å; I645-I648 HydrophobicContact CG2-CG1 4.27Å
646A70.7Confident67.3Low46 Ų4659.2 Ų59.238%0.3835%0.353SS..EExtended strand (participates in β ladder)trans-91.7-47.4171.800000111.2A547 L631 K633A547-A646 HydrophobicContact CB-CB 3.53Å; L631-A646 WeakPolarHBondContact O-CA 3.48Å; L631-A646 WeakPolarHBondContact O-CB 3.31Å; L631-A646 PolarHBondContact O-N 3.16Å; K633-A646 HydrophobicContact CG-CB 3.8Å
647A66.5Low68.1Low26 Ų2652.4 Ų52.422%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-155.9154-179.500000111.7L543 L631L543-A647 HydrophobicContact CD1-CB 4Å; L631-A647 HydrophobicContact CB-CB 4.45Å; L631-A647 PolarHBondContact N-O 3.37Å; L631-A647 PolarHBondContact O-N 3.42Å; L631-A647 VanDerWaalsContact O-N 3.14Å
648I72.8Confident69.2Low36 Ų3649.8 Ų49.819%0.18528%0.282CS..EExtended strand (participates in β ladder)trans-111.3130.6166.7-60.6161000106.4A567 H622 Y625 N629 I645 W651A567-I648 HydrophobicContact CB-CD1 4.2Å; H622-I648 WeakPolarHBondContact NE2-CG2 3.42Å; Y625-I648 HydrophobicContact CD2-CG2 4.1Å; Y625-I648 HydrophobicContact CE2-CD1 3.76Å; Y625-I648 HydrophobicContact CE2-CG1 4.02Å; Y625-I648 HydrophobicContact CE2-CG2 3.75Å; N629-I648 WeakPolarHBondContact O-CA 3.36Å; I645-I648 HydrophobicContact CG2-CG1 4.27Å; I648-W651 HydrophobicContact CB-CZ2 3.82Å; I648-W651 HydrophobicContact CG2-CH2 4.31Å; I648-W651 HydrophobicContact CG2-CZ2 3.62Å; I648-W651 PolarHBondContact O-NE1 2.89Å
649I69.1Low70.5Confident53 Ų5345.6 Ų45.627%0.27226%0.256SS..  trans-125.2174.2-174.360.9171.2000110.3H622 N629 L631H622-I649 PolarHBondContact CE1-O 2.83Å; H622-I649 PolarHBondContact NE2-O 3.41Å; N629-I649 HydrophobicContact CB-CG1 4.4Å; N629-I649 WeakPolarHBondContact CB-O 3.37Å; N629-I649 WeakPolarHBondContact O-CG1 3.28Å; N629-I649 PolarHBondContact O-N 3.43Å; L631-I649 HydrophobicContact CD1-CD1 4.29Å; L631-I649 HydrophobicContact CD1-CG2 4.2Å; L631-I649 HydrophobicContact CG-CD1 4.28Å
650D59.4Low71.8Confident34 Ų3440.8 Ų40.818%0.18223%0.23CC..  trans62.646.7173.1-159.38.3000115.5H622 N629 Q652H622-D650 PolarHBondContact CE1-O 2.64Å; N629-D650 HydrophobicContact CB-CB 4.22Å; N629-D650 PolarHBondContact ND2-OD2 2.9Å; D650-Q652 PolarHBondContact O-N 3.25Å; D650-Q652 VanDerWaalsContact OD1-CD 3.26Å; D650-Q652 WeakPolarHBondContact OD1-CG 3.02Å; D650-Q652 PolarHBondContact OD1-NE2 2.5Å; D650-Q652 PolarHBondContact OD2-NE2 2.97Å
651W61.8Low72.7Confident32 Ų3239.3 Ų39.312%0.12122%0.218CC..  trans-6915.9176.9-61.984.8000115.7F501 V505 L571 H622 I648 L653 V654F501-W651 HydrophobicContact CE2-CB 3.49Å; F501-W651 VanDerWaalsContact CE2-CB 3.49Å; F501-W651 WeakPolarHBondContact CE2-O 3.4Å; F501-W651 HydrophobicContact CZ-CB 3.77Å; F501-W651 VanDerWaalsContact CZ-N 3.32Å; V505-W651 HydrophobicContact CB-CB 4.35Å; V505-W651 HydrophobicContact CG1-CB 3.58Å; V505-W651 HydrophobicContact CG1-CD2 3.63Å; V505-W651 HydrophobicContact CG1-CE3 4.17Å; V505-W651 HydrophobicContact CG1-CG 3.35Å; V505-W651 HydrophobicContact CG2-CB 4.47Å; L571-W651 HydrophobicContact CD1-CH2 4.13Å; L571-W651 HydrophobicContact CD2-CH2 3.58Å; L571-W651 HydrophobicContact CD2-CZ3 3.57Å; L571-W651 HydrophobicContact CG-CH2 4.47Å; H622-W651 HydrophobicContact CB-CE3 4.07Å; H622-W651 HydrophobicContact CB-CZ3 3.96Å; H622-W651 AromaticContact CD2-CD2 3.25Å; H622-W651 AromaticContact CD2-CE2 3.61Å; H622-W651 AromaticContact CD2-CE3 3.17Å; H622-W651 AromaticContact CD2-CG 3.86Å; H622-W651 AromaticContact CD2-CH2 3.83Å; H622-W651 AromaticContact CD2-CZ2 3.9Å; H622-W651 AromaticContact CD2-CZ3 3.47Å; H622-W651 VanDerWaalsContact CD2-CZ3 3.47Å; H622-W651 WeakPolarHBondContact CD2-CZ3 3.45Å; H622-W651 AromaticContact CG-CE3 3.82Å; H622-W651 AromaticContact NE2-CD2 3.63Å; H622-W651 AromaticContact NE2-CE2 3.92Å; H622-W651 AromaticContact NE2-CE3 4Å; H622-W651 AromaticContact NE2-CG 3.74Å; I648-W651 HydrophobicContact CB-CZ2 3.82Å; I648-W651 HydrophobicContact CG2-CH2 4.31Å; I648-W651 HydrophobicContact CG2-CZ2 3.62Å; I648-W651 PolarHBondContact O-NE1 2.89Å; W651-L653 PolarHBondContact O-N 3.04Å; W651-V654 HydrophobicContact CB-CG2 4.21Å; W651-V654 HydrophobicContact CE3-CG2 3.56Å; W651-V654 HydrophobicContact CZ3-CG2 4.31Å; W651-V654 WeakPolarHBondContact O-CB 3.36Å; W651-V654 PolarHBondContact O-N 2.77Å
652Q54.7Low73.6Confident107 Ų10738.1 Ų38.150%0.521%0.208SC..THydrogen-bonded Turntrans-62.2-19.4-164.662.1-179.5-43.100113.7F501 D650F501-Q652 HydrophobicContact CD2-CB 4.45Å; F501-Q652 VanDerWaalsContact CE2-CA 3.42Å; F501-Q652 HydrophobicContact CE2-CB 4.15Å; F501-Q652 HydrophobicContact CZ-CB 4.39Å; D650-Q652 PolarHBondContact O-N 3.25Å; D650-Q652 VanDerWaalsContact OD1-CD 3.26Å; D650-Q652 WeakPolarHBondContact OD1-CG 3.02Å; D650-Q652 PolarHBondContact OD1-NE2 2.5Å; D650-Q652 PolarHBondContact OD2-NE2 2.97Å
653L58.6Low74.1Confident82 Ų8237.4 Ų37.443%0.42920%0.203SC..THydrogen-bonded Turntrans-104.121.5179.3-58.6-173.9000113.6H622 D624 W651 H655H622-L653 CarbonylContact O-C 3.53Å; H622-L653 VanDerWaalsContact O-C 3.25Å; D624-L653 HydrophobicContact CB-CD1 4.1Å; D624-L653 HydrophobicContact CB-CG 4.43Å; W651-L653 PolarHBondContact O-N 3.04Å; L653-H655 PolarHBondContact O-N 3.41Å; L653-H655 PolarHBondContact O-ND1 3.43Å
654V63.7Low74.4Confident21 Ų2135.1 Ų35.113%0.12719%0.187CC..  trans-58.1130.3178.9139.40000111.9F585 L620 V621 H622 W651F585-V654 HydrophobicContact CB-CG1 4.25Å; F585-V654 HydrophobicContact CD1-CG1 4.35Å; L620-V654 HydrophobicContact CD1-CG1 4.11Å; V621-V654 VanDerWaalsContact O-CA 3.28Å; V621-V654 WeakPolarHBondContact O-CA 3.45Å; V621-V654 WeakPolarHBondContact O-CG2 3.26Å; H622-V654 PolarHBondContact O-N 3.15Å; W651-V654 HydrophobicContact CB-CG2 4.21Å; W651-V654 HydrophobicContact CE3-CG2 3.56Å; W651-V654 HydrophobicContact CZ3-CG2 4.31Å; W651-V654 WeakPolarHBondContact O-CB 3.36Å; W651-V654 PolarHBondContact O-N 2.77Å
655H68.1Low74.5Confident16 Ų1631.2 Ų31.27%0.07417%0.167CC..EExtended strand (participates in β ladder)trans-157.8172.1173.464.1-73.6000111.4A586 V621 L653 E661A586-H655 HydrophobicContact CB-CB 4.12Å; V621-H655 WeakPolarHBondContact CB-O 3.29Å; V621-H655 PolarHBondContact N-O 3.29Å; V621-H655 PolarHBondContact O-N 3.15Å; V621-H655 VanDerWaalsContact O-N 3.12Å; L653-H655 PolarHBondContact O-N 3.41Å; L653-H655 PolarHBondContact O-ND1 3.43Å; H655-E661 IonicContact CE1-OE2 2.77Å; H655-E661 PolarHBondContact CE1-OE2 2.86Å; H655-E661 VanDerWaalsContact CE1-OE2 3.26Å; H655-E661 IonicContact NE2-OE1 3.48Å; H655-E661 IonicContact NE2-OE2 3.31Å; H655-E661 PolarHBondContact NE2-OE2 2.88Å
656Q72.3Confident75Confident51 Ų5129.3 Ų29.324%0.23816%0.157CC..EExtended strand (participates in β ladder)trans-85.2127.1170-172.1167.4-700108.9W582 D618 V619W582-Q656 HydrophobicContact CB-CB 4.08Å; D618-Q656 HydrophobicContact CB-CG 3.65Å; V619-Q656 WeakPolarHBondContact O-CA 3.49Å
657G79.4Confident75.7Confident7 Ų727.1 Ų27.17%0.07214%0.14CC..EExtended strand (participates in β ladder)trans-170.4-165.4-175.400000113.8D618 V619D618-G657 WeakPolarHBondContact CA-O 3.18Å; V619-G657 PolarHBondContact N-O 3.24Å; V619-G657 PolarHBondContact O-N 2.79Å
658S84.6Confident76.3Confident22 Ų2227.3 Ų27.315%0.15414%0.138CC..  trans-73.3137.7-179174.90000110.3V621 A660 E661V621-S658 WeakPolarHBondContact CG2-O 3.4Å; S658-A660 PolarHBondContact O-N 3.38Å; S658-A660 PolarHBondContact OG-N 2.84Å; S658-E661 PolarHBondContact N-OE1 3.43Å; S658-E661 VanDerWaalsContact N-OE1 3.13Å; S658-E661 PolarHBondContact O-N 3.05Å; S658-E661 VanDerWaalsContact O-N 3.13Å
659F86.9Confident76.4Confident5 Ų529.1 Ų29.12%0.02215%0.145CC..THydrogen-bonded Turntrans-53.9-28.4174.580.4-87.4000113.1Q572 M616 V619 E661 I663 Y687 V707 I710Q572-F659 PolarHBondContact NE2-O 3.03Å; M616-F659 HydrophobicContact CE-CB 4.25Å; M616-F659 HydrophobicContact CE-CD1 4.01Å; M616-F659 HydrophobicContact CE-CG 4.19Å; M616-F659 HydrophobicContact SD-CD1 3.5Å; M616-F659 VanDerWaalsContact SD-CD1 3.5Å; M616-F659 HydrophobicContact SD-CE1 3.83Å; M616-F659 HydrophobicContact SD-CG 4.23Å; V619-F659 VanDerWaalsContact CG2-CA 3.46Å; V619-F659 HydrophobicContact CG2-CB 3.78Å; F659-E661 VanDerWaalsContact C-N 3.25Å; F659-E661 PolarHBondContact O-N 3.21Å; F659-I663 HydrophobicContact CD2-CD1 3.78Å; F659-I663 HydrophobicContact CE2-CD1 3.97Å; F659-Y687 HydrophobicContact CB-CE1 4.21Å; F659-Y687 WeakPolarHBondContact CB-OH 3.35Å; F659-Y687 AromaticContact CD2-CD1 3.7Å; F659-Y687 HydrophobicContact CD2-CD1 3.7Å; F659-Y687 AromaticContact CD2-CE1 3.07Å; F659-Y687 HydrophobicContact CD2-CE1 3.07Å; F659-Y687 HydrophobicContact CD2-CE2 4.31Å; F659-Y687 AromaticContact CD2-CZ 3.46Å; F659-Y687 VanDerWaalsContact CD2-CZ 3.46Å; F659-Y687 AromaticContact CE2-CD1 3.76Å; F659-Y687 HydrophobicContact CE2-CD1 3.76Å; F659-Y687 AromaticContact CE2-CE1 3.54Å; F659-Y687 HydrophobicContact CE2-CE1 3.54Å; F659-Y687 AromaticContact CG-CE1 3.68Å; F659-Y687 HydrophobicContact CG-CE1 3.68Å; F659-Y687 AromaticContact CG-CZ 3.85Å; F659-Y687 HydrophobicContact CZ-CE1 4.44Å; F659-V707 HydrophobicContact CE1-CG1 4.12Å; F659-V707 HydrophobicContact CE2-CG1 3.85Å; F659-V707 HydrophobicContact CZ-CB 4.36Å; F659-V707 HydrophobicContact CZ-CG1 3.37Å; F659-I710 HydrophobicContact CD1-CG2 4.5Å; F659-I710 HydrophobicContact CE1-CB 4.11Å; F659-I710 HydrophobicContact CE1-CD1 4.39Å; F659-I710 HydrophobicContact CE1-CG2 3.72Å; F659-I710 HydrophobicContact CZ-CB 4.45Å; F659-I710 HydrophobicContact CZ-CG2 4.28Å
660A87.3Confident77Confident0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-69.2-22.7-174.400000112.7S658 I663 C664 I710 F711 T714S658-A660 PolarHBondContact O-N 3.38Å; S658-A660 PolarHBondContact OG-N 2.84Å; A660-I663 PolarHBondContact O-N 3.27Å; A660-C664 VanDerWaalsContact O-CB 3.31Å; A660-C664 WeakPolarHBondContact O-CB 3.38Å; A660-C664 PolarHBondContact O-N 3.47Å; A660-C664 PolarHBondContact O-SG 2.86Å; A660-I710 HydrophobicContact CB-CG2 4.26Å; A660-F711 HydrophobicContact CB-CB 4.41Å; A660-F711 HydrophobicContact CB-CD2 4.34Å; A660-T714 HydrophobicContact CB-CG2 3.85Å; A660-T714 WeakPolarHBondContact CB-OG1 3.38Å
661E84.5Confident78Confident42 Ų4225.5 Ų25.520%0.19613%0.126CC..Hα-helixtrans-60.2-50.5-175.8-67.7-177-129.400112.1V621 H655 S658 F659 I663 C664 Y665 T714V621-E661 HydrophobicContact CG1-CB 3.74Å; H655-E661 IonicContact CE1-OE2 2.77Å; H655-E661 PolarHBondContact CE1-OE2 2.86Å; H655-E661 VanDerWaalsContact CE1-OE2 3.26Å; H655-E661 IonicContact NE2-OE1 3.48Å; H655-E661 IonicContact NE2-OE2 3.31Å; H655-E661 PolarHBondContact NE2-OE2 2.88Å; S658-E661 PolarHBondContact N-OE1 3.43Å; S658-E661 VanDerWaalsContact N-OE1 3.13Å; S658-E661 PolarHBondContact O-N 3.05Å; S658-E661 VanDerWaalsContact O-N 3.13Å; F659-E661 VanDerWaalsContact C-N 3.25Å; F659-E661 PolarHBondContact O-N 3.21Å; E661-I663 PolarHBondContact O-N 3.33Å; E661-C664 PolarHBondContact O-N 2.96Å; E661-Y665 PolarHBondContact O-N 3.46Å; E661-T714 HydrophobicContact CG-CG2 3.96Å
662D88.7Confident78.7Confident0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-65.9-38.6179.1-71.5-34000112.3I568 Q572 V621 H622 G623 Y625 Y665 L666I568-D662 HydrophobicContact CD1-CB 4.25Å; I568-D662 WeakPolarHBondContact CD1-OD2 3.41Å; I568-D662 HydrophobicContact CG1-CB 3.87Å; Q572-D662 PolarHBondContact NE2-OD2 3.01Å; V621-D662 WeakPolarHBondContact CA-OD2 3.32Å; V621-D662 WeakPolarHBondContact CG1-OD1 3.46Å; H622-D662 WeakPolarHBondContact CA-OD1 3.37Å; H622-D662 WeakPolarHBondContact CB-OD1 3.36Å; H622-D662 VanDerWaalsContact N-CG 3.33Å; H622-D662 PolarHBondContact N-OD1 2.98Å; H622-D662 PolarHBondContact N-OD2 3.22Å; G623-D662 PolarHBondContact N-OD1 3.37Å; Y625-D662 HydrophobicContact CD1-CB 4.1Å; Y625-D662 HydrophobicContact CG-CB 4.17Å; D662-Y665 PolarHBondContact O-N 3.03Å; D662-L666 WeakPolarHBondContact O-CB 3.42Å; D662-L666 PolarHBondContact O-N 3.22Å
663I90.4Very high79.7Confident1 Ų127.1 Ų27.11%0.00514%0.14CC..Hα-helixtrans-68-41.3178.4-54.7179.2000110F659 A660 E661 L666 M667 V683 V684 Y687 F711F659-I663 HydrophobicContact CD2-CD1 3.78Å; F659-I663 HydrophobicContact CE2-CD1 3.97Å; A660-I663 PolarHBondContact O-N 3.27Å; E661-I663 PolarHBondContact O-N 3.33Å; I663-L666 PolarHBondContact O-N 3.05Å; I663-M667 HydrophobicContact CG2-CG 4.23Å; I663-M667 WeakPolarHBondContact O-CB 3.35Å; I663-M667 WeakPolarHBondContact O-CG 3.33Å; I663-M667 PolarHBondContact O-N 3.36Å; I663-V683 HydrophobicContact CG2-CG1 4.48Å; I663-V684 HydrophobicContact CG2-CG2 4.49Å; I663-Y687 HydrophobicContact CD1-CD1 3.87Å; I663-Y687 HydrophobicContact CD1-CD2 3.54Å; I663-Y687 HydrophobicContact CD1-CE1 4.34Å; I663-Y687 HydrophobicContact CD1-CE2 4.04Å; I663-Y687 HydrophobicContact CD1-CG 3.46Å; I663-Y687 VanDerWaalsContact CD1-CG 3.46Å; I663-F711 HydrophobicContact CB-CD2 4.37Å; I663-F711 HydrophobicContact CB-CE2 4.09Å; I663-F711 HydrophobicContact CG2-CD2 4.16Å; I663-F711 HydrophobicContact CG2-CE2 3.64Å
664C86.5Confident80.5Confident0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-62.9-44.7176.2-68.80000110.7A660 E661 L666 M667 V668 F711 L715 T718A660-C664 VanDerWaalsContact O-CB 3.31Å; A660-C664 WeakPolarHBondContact O-CB 3.38Å; A660-C664 PolarHBondContact O-N 3.47Å; A660-C664 PolarHBondContact O-SG 2.86Å; E661-C664 PolarHBondContact O-N 2.96Å; C664-L666 PolarHBondContact O-N 2.92Å; C664-M667 PolarHBondContact O-N 3.31Å; C664-V668 WeakPolarHBondContact O-CB 3.5Å; C664-V668 VanDerWaalsContact O-CG2 3.23Å; C664-V668 WeakPolarHBondContact O-CG2 3.49Å; C664-V668 PolarHBondContact O-N 3.08Å; C664-F711 HydrophobicContact CB-CE2 4.45Å; C664-F711 VanDerWaalsContact SG-CD2 3.6Å; C664-F711 WeakPolarHBondContact SG-CE2 3.35Å; C664-L715 HydrophobicContact CB-CD1 4.02Å; C664-L715 VanDerWaalsContact SG-CA 3.51Å; C664-T718 HydrophobicContact CB-CG2 3.7Å; C664-T718 VanDerWaalsContact CB-OG1 3.23Å; C664-T718 WeakPolarHBondContact CB-OG1 3.4Å
665Y80.9Confident81.3Confident33 Ų3325.5 Ų25.513%0.12914%0.141CC..Hα-helixtrans-57.1-50.2175-114.1-86.9000111.4G623 D624 E661 D662 M667 V668 F669 T718 I722G623-Y665 WeakPolarHBondContact O-CE2 3.31Å; D624-Y665 WeakPolarHBondContact OD1-CE1 3.42Å; E661-Y665 PolarHBondContact O-N 3.46Å; D662-Y665 PolarHBondContact O-N 3.03Å; Y665-M667 PolarHBondContact O-N 3.03Å; Y665-V668 PolarHBondContact O-N 3.29Å; Y665-F669 AromaticContact CD1-CD2 3.72Å; Y665-F669 HydrophobicContact CD1-CD2 3.72Å; Y665-F669 HydrophobicContact CD1-CE2 4.02Å; Y665-F669 HydrophobicContact CE1-CD2 4.16Å; Y665-F669 HydrophobicContact CE1-CE2 4.11Å; Y665-F669 HydrophobicContact CG-CD2 4.48Å; Y665-F669 VanDerWaalsContact O-CD2 3.31Å; Y665-F669 WeakPolarHBondContact O-CD2 3.44Å; Y665-F669 PolarHBondContact O-N 3.42Å; Y665-T718 HydrophobicContact CD2-CG2 3.33Å; Y665-T718 HydrophobicContact CE2-CG2 3.86Å; Y665-T718 HydrophobicContact CG-CG2 4.02Å; Y665-I722 HydrophobicContact CD1-CD1 4.17Å; Y665-I722 HydrophobicContact CD2-CD1 4.47Å; Y665-I722 HydrophobicContact CE1-CD1 3.48Å; Y665-I722 VanDerWaalsContact CE1-CD1 3.48Å; Y665-I722 HydrophobicContact CE1-CG1 4.29Å; Y665-I722 HydrophobicContact CE2-CD1 3.82Å; Y665-I722 HydrophobicContact CE2-CG1 4.25Å; Y665-I722 WeakPolarHBondContact OH-CD1 3.5Å; Y665-I722 VanDerWaalsContact OH-CG1 3.28Å; Y665-I722 WeakPolarHBondContact OH-CG1 3.41Å
666L88.2Confident81.9Confident1 Ų128 Ų281%0.00515%0.15CC..Hα-helixtrans-58.5-47.9179-171.171000111.3L556 L561 C564 V565 Y625 I630 D662 I663 C664 V668 S670L556-L666 HydrophobicContact CD1-CD1 3.8Å; L556-L666 HydrophobicContact CD1-CG 4.32Å; L561-L666 HydrophobicContact CD1-CD2 3.69Å; L561-L666 HydrophobicContact CD1-CG 4.12Å; C564-L666 HydrophobicContact CB-CD1 4.26Å; C564-L666 HydrophobicContact CB-CD2 3.61Å; V565-L666 HydrophobicContact CG2-CD2 4.08Å; Y625-L666 HydrophobicContact CD1-CB 4.17Å; Y625-L666 HydrophobicContact CD1-CD1 4.26Å; Y625-L666 HydrophobicContact CD1-CD2 4.39Å; Y625-L666 HydrophobicContact CE1-CD1 4.31Å; Y625-L666 HydrophobicContact CE1-CD2 4.13Å; Y625-L666 VanDerWaalsContact O-CA 3.24Å; Y625-L666 WeakPolarHBondContact O-CA 3.4Å; Y625-L666 WeakPolarHBondContact O-CB 3.44Å; Y625-L666 PolarHBondContact O-N 2.95Å; Y625-L666 VanDerWaalsContact O-N 3.16Å; I630-L666 HydrophobicContact CD1-CD1 3.82Å; D662-L666 WeakPolarHBondContact O-CB 3.42Å; D662-L666 PolarHBondContact O-N 3.22Å; I663-L666 PolarHBondContact O-N 3.05Å; C664-L666 PolarHBondContact O-N 2.92Å; L666-V668 VanDerWaalsContact C-N 3.34Å; L666-V668 PolarHBondContact O-N 3.07Å; L666-S670 WeakPolarHBondContact O-CA 3.24Å; L666-S670 WeakPolarHBondContact O-CB 3.31Å; L666-S670 PolarHBondContact O-N 3.06Å; L666-S670 PolarHBondContact O-OG 2.87Å
667M84.6Confident82.1Confident1 Ų135.1 Ų35.11%0.00518%0.175CC..Hα-helixtrans-65.3-34.8-178.8-70.9-64.1-59.800113L561 I663 C664 Y665 V671 R676 M680 V683 F711L561-M667 HydrophobicContact CD1-SD 4.22Å; L561-M667 HydrophobicContact CD2-SD 4.31Å; I663-M667 HydrophobicContact CG2-CG 4.23Å; I663-M667 WeakPolarHBondContact O-CB 3.35Å; I663-M667 WeakPolarHBondContact O-CG 3.33Å; I663-M667 PolarHBondContact O-N 3.36Å; C664-M667 PolarHBondContact O-N 3.31Å; Y665-M667 PolarHBondContact O-N 3.03Å; M667-V671 HydrophobicContact SD-CG2 4.12Å; M667-R676 HydrophobicContact CE-CB 4.05Å; M667-R676 HydrophobicContact CE-CG 3.86Å; M667-R676 WeakPolarHBondContact O-CD 3.41Å; M667-M680 HydrophobicContact CE-CB 3.61Å; M667-M680 HydrophobicContact CE-CG 3.86Å; M667-M680 HydrophobicContact CE-SD 4.46Å; M667-V683 HydrophobicContact SD-CB 4.37Å; M667-V683 HydrophobicContact SD-CG1 4.12Å; M667-V683 HydrophobicContact SD-CG2 4.35Å; M667-F711 HydrophobicContact CG-CZ 4.42Å
668V79.3Confident82.1Confident29 Ų2938.3 Ų38.318%0.17620%0.196CC..Hα-helixtrans-77.7-45.9-178.2173.30000111.5C664 Y665 L666 L715C664-V668 WeakPolarHBondContact O-CB 3.5Å; C664-V668 VanDerWaalsContact O-CG2 3.23Å; C664-V668 WeakPolarHBondContact O-CG2 3.49Å; C664-V668 PolarHBondContact O-N 3.08Å; Y665-V668 PolarHBondContact O-N 3.29Å; L666-V668 VanDerWaalsContact C-N 3.34Å; L666-V668 PolarHBondContact O-N 3.07Å; V668-L715 HydrophobicContact CG2-CD1 3.97Å
669F75.3Confident82Confident75 Ų7540.1 Ų40.133%0.32920%0.201SC..Hα-helixtrans-94.9-21.8-171.3-70.1-80.2000115.2K626 Y665 I722 F760K626-F669 HydrophobicContact CB-CB 3.87Å; Y665-F669 AromaticContact CD1-CD2 3.72Å; Y665-F669 HydrophobicContact CD1-CD2 3.72Å; Y665-F669 HydrophobicContact CD1-CE2 4.02Å; Y665-F669 HydrophobicContact CE1-CD2 4.16Å; Y665-F669 HydrophobicContact CE1-CE2 4.11Å; Y665-F669 HydrophobicContact CG-CD2 4.48Å; Y665-F669 VanDerWaalsContact O-CD2 3.31Å; Y665-F669 WeakPolarHBondContact O-CD2 3.44Å; Y665-F669 PolarHBondContact O-N 3.42Å; F669-I722 HydrophobicContact CD2-CD1 4.11Å; F669-I722 HydrophobicContact CE1-CD1 4.35Å; F669-I722 HydrophobicContact CE1-CG2 4.46Å; F669-I722 HydrophobicContact CE2-CD1 2.97Å; F669-I722 HydrophobicContact CE2-CG1 4.39Å; F669-I722 HydrophobicContact CZ-CB 4.28Å; F669-I722 HydrophobicContact CZ-CD1 3.12Å; F669-I722 HydrophobicContact CZ-CG1 4.24Å; F669-I722 HydrophobicContact CZ-CG2 3.88Å; F669-F760 HydrophobicContact CE1-CZ 4.48Å
670S81.7Confident82.1Confident6 Ų642 Ų424%0.04221%0.211CC..SBendtrans-117.7-11.1-164.4-44.80000113.7L556 K626 A627 L666L556-S670 WeakPolarHBondContact CG-O 3.22Å; L556-S670 PolarHBondContact N-O 2.85Å; K626-S670 WeakPolarHBondContact CA-OG 3.47Å; A627-S670 PolarHBondContact N-OG 3.14Å; L666-S670 WeakPolarHBondContact O-CA 3.24Å; L666-S670 WeakPolarHBondContact O-CB 3.31Å; L666-S670 PolarHBondContact O-N 3.06Å; L666-S670 PolarHBondContact O-OG 2.87Å
671V81.4Confident82.2Confident5 Ų546.1 Ų46.13%0.0323%0.228CC..SBendtrans-118.8122.9-172.2-173.30000110L561 M667 L675 R676L561-V671 HydrophobicContact CD1-CG2 3.58Å; L561-V671 HydrophobicContact CD2-CG1 4.04Å; L561-V671 HydrophobicContact CD2-CG2 3.79Å; L561-V671 HydrophobicContact CG-CG2 4.27Å; M667-V671 HydrophobicContact SD-CG2 4.12Å; V671-L675 HydrophobicContact CG1-CB 3.84Å; V671-L675 HydrophobicContact CG1-CD2 4.02Å; V671-L675 HydrophobicContact CG1-CG 3.97Å; V671-R676 HydrophobicContact CB-CB 4.45Å; V671-R676 HydrophobicContact CG1-CB 3.94Å; V671-R676 PolarHBondContact O-NH2 2.94Å
672N76.7Confident82.5Confident72 Ų7247.9 Ų47.939%0.38524%0.239SC..  trans-60.2155.4177.270.445.2000111.5N554 G674 L675 R676N554-N672 PolarHBondContact O-ND2 2.85Å; N672-G674 PolarHBondContact O-N 2.94Å; N672-G674 PolarHBondContact OD1-N 2.88Å; N672-L675 PolarHBondContact O-N 3.44Å; N672-L675 VanDerWaalsContact OD1-CB 3.29Å; N672-L675 WeakPolarHBondContact OD1-CB 3.19Å; N672-L675 PolarHBondContact OD1-N 3.16Å; N672-R676 WeakPolarHBondContact O-CB 3.26Å; N672-R676 PolarHBondContact O-N 3.04Å
673I73.8Confident82.6Confident100 Ų10048.1 Ų48.151%0.51324%0.24SC..Hα-helixtrans-61.4-33.1-170.9-161.4164.7000113R677I673-R677 HydrophobicContact CG1-CG 4.38Å; I673-R677 WeakPolarHBondContact O-CB 3.34Å; I673-R677 WeakPolarHBondContact O-CG 3.26Å; I673-R677 PolarHBondContact O-N 2.98Å
674G76.7Confident82.6Confident44 Ų4448 Ų4845%0.45424%0.24SC..Hα-helixtrans-66.9-49.5178.900000112.5N672 S678N672-G674 PolarHBondContact O-N 2.94Å; N672-G674 PolarHBondContact OD1-N 2.88Å; G674-S678 WeakPolarHBondContact O-CB 3.25Å; G674-S678 PolarHBondContact O-N 3.06Å; G674-S678 PolarHBondContact O-OG 3.22Å
675L79.9Confident83Confident26 Ų2652 Ų5214%0.13626%0.255CS..Hα-helixtrans-67.6-41.2177.9-17262.6000111.2L556 E558 L561 V671 N672 S678 K679L556-L675 WeakPolarHBondContact O-CD2 3.43Å; E558-L675 HydrophobicContact CB-CD1 4.32Å; L561-L675 HydrophobicContact CD2-CD2 4.11Å; L561-L675 HydrophobicContact CD2-CG 4.45Å; V671-L675 HydrophobicContact CG1-CB 3.84Å; V671-L675 HydrophobicContact CG1-CD2 4.02Å; V671-L675 HydrophobicContact CG1-CG 3.97Å; N672-L675 PolarHBondContact O-N 3.44Å; N672-L675 VanDerWaalsContact OD1-CB 3.29Å; N672-L675 WeakPolarHBondContact OD1-CB 3.19Å; N672-L675 PolarHBondContact OD1-N 3.16Å; L675-S678 PolarHBondContact O-N 3.32Å; L675-S678 PolarHBondContact O-OG 2.93Å; L675-K679 HydrophobicContact CD1-CB 4.33Å; L675-K679 HydrophobicContact CD1-CG 3.71Å; L675-K679 WeakPolarHBondContact O-CB 3.27Å; L675-K679 PolarHBondContact O-N 2.93Å
676R80.4Confident83.5Confident67 Ų6752.2 Ų52.225%0.25326%0.257SS..Hα-helixtrans-59.5-51.8176.2170.216931.3178.7-14.7111.8M667 V671 N672 S678 M680M667-R676 HydrophobicContact CE-CB 4.05Å; M667-R676 HydrophobicContact CE-CG 3.86Å; M667-R676 WeakPolarHBondContact O-CD 3.41Å; V671-R676 HydrophobicContact CB-CB 4.45Å; V671-R676 HydrophobicContact CG1-CB 3.94Å; V671-R676 PolarHBondContact O-NH2 2.94Å; N672-R676 WeakPolarHBondContact O-CB 3.26Å; N672-R676 PolarHBondContact O-N 3.04Å; R676-S678 VanDerWaalsContact C-N 3.3Å; R676-S678 PolarHBondContact O-N 2.9Å; R676-M680 WeakPolarHBondContact O-CB 3.43Å; R676-M680 PolarHBondContact O-N 3.04Å
677R77Confident83.8Confident201 Ų20152.1 Ų52.176%0.75826%0.257SS*.Hα-helixtrans-61.7-36.9179.8-76.9-179.3174.9-178.7-0.3112.8I673I673-R677 HydrophobicContact CG1-CG 4.38Å; I673-R677 WeakPolarHBondContact O-CB 3.34Å; I673-R677 WeakPolarHBondContact O-CG 3.26Å; I673-R677 PolarHBondContact O-N 2.98Å
678S79.6Confident84.2Confident74 Ų7453 Ų5352%0.51726%0.26SS..Hα-helixtrans-85.8-26-175.4580000114.4G674 L675 R676G674-S678 WeakPolarHBondContact O-CB 3.25Å; G674-S678 PolarHBondContact O-N 3.06Å; G674-S678 PolarHBondContact O-OG 3.22Å; L675-S678 PolarHBondContact O-N 3.32Å; L675-S678 PolarHBondContact O-OG 2.93Å; R676-S678 VanDerWaalsContact C-N 3.3Å; R676-S678 PolarHBondContact O-N 2.9Å
679K82.8Confident84.8Confident60 Ų6056.6 Ų56.626%0.26128%0.275SS..Hα-helixtrans-125-6.2-170-59.3-66.6-177.5129.40115.9E558 L675 K681 N682 V683E558-K679 IonicContact OE1-NZ 3.59Å; E558-K679 PolarHBondContact OE1-NZ 3.44Å; E558-K679 IonicContact OE2-NZ 2.63Å; E558-K679 PolarHBondContact OE2-NZ 2.88Å; L675-K679 HydrophobicContact CD1-CB 4.33Å; L675-K679 HydrophobicContact CD1-CG 3.71Å; L675-K679 WeakPolarHBondContact O-CB 3.27Å; L675-K679 PolarHBondContact O-N 2.93Å; K679-K681 PolarHBondContact O-N 3.35Å; K679-N682 CarbonylContact O-C 3.54Å; K679-N682 WeakPolarHBondContact O-CA 3.42Å; K679-N682 VanDerWaalsContact O-CB 3.31Å; K679-N682 WeakPolarHBondContact O-CB 3.4Å; K679-N682 PolarHBondContact O-N 3.25Å; K679-V683 PolarHBondContact O-N 3.33Å
680M88.1Confident85.6Confident46 Ų4654.9 Ų54.923%0.22727%0.268CS..Hα-helixtrans-49.9-49.3-175.8176.5166.849.500114.1M667 R676 N682 V683 V684 W708 F711 L715M667-M680 HydrophobicContact CE-CB 3.61Å; M667-M680 HydrophobicContact CE-CG 3.86Å; M667-M680 HydrophobicContact CE-SD 4.46Å; R676-M680 WeakPolarHBondContact O-CB 3.43Å; R676-M680 PolarHBondContact O-N 3.04Å; M680-N682 PolarHBondContact O-N 3.2Å; M680-V683 PolarHBondContact O-N 3.11Å; M680-V684 PolarHBondContact O-N 2.98Å; M680-V684 VanDerWaalsContact O-N 3.12Å; M680-W708 HydrophobicContact CG-CH2 4.01Å; M680-W708 HydrophobicContact CG-CZ3 4.26Å; M680-F711 HydrophobicContact CG-CE1 3.77Å; M680-F711 HydrophobicContact CG-CZ 4.05Å; M680-F711 HydrophobicContact SD-CE1 3.84Å; M680-F711 HydrophobicContact SD-CZ 4.17Å; M680-L715 HydrophobicContact SD-CD2 3.95Å
681K89.5Confident86.1Confident86 Ų8654.6 Ų54.637%0.37427%0.266SS..Hα-helixtrans-64.9-29.1177.1-165165.1-173.8165.90113.1K679 R685 F704 W708K679-K681 PolarHBondContact O-N 3.35Å; K681-R685 WeakPolarHBondContact O-CB 3.2Å; K681-R685 PolarHBondContact O-N 3.38Å; K681-R685 VanDerWaalsContact O-N 3.09Å; K681-F704 HydrophobicContact CG-CE1 4.36Å; K681-F704 HydrophobicContact CG-CZ 3.93Å; K681-W708 VanDerWaalsContact CA-CZ3 3.43Å; K681-W708 HydrophobicContact CB-CE3 4.34Å; K681-W708 HydrophobicContact CB-CH2 3.72Å; K681-W708 HydrophobicContact CB-CZ2 4.15Å; K681-W708 HydrophobicContact CB-CZ3 3.84Å; K681-W708 HydrophobicContact CD-CD2 4.23Å; K681-W708 HydrophobicContact CD-CH2 4.45Å; K681-W708 HydrophobicContact CD-CZ2 4.04Å; K681-W708 HydrophobicContact CG-CD2 3.99Å; K681-W708 HydrophobicContact CG-CE3 3.89Å; K681-W708 HydrophobicContact CG-CH2 4Å; K681-W708 HydrophobicContact CG-CZ2 4.07Å; K681-W708 HydrophobicContact CG-CZ3 3.92Å
682N90.3Very high86.5Confident79 Ų7958.3 Ų58.342%0.42228%0.282SS..Hα-helixtrans-74.3-37.4175.7-61.5-18.7000111.7K679 M680 R685 H686K679-N682 CarbonylContact O-C 3.54Å; K679-N682 WeakPolarHBondContact O-CA 3.42Å; K679-N682 VanDerWaalsContact O-CB 3.31Å; K679-N682 WeakPolarHBondContact O-CB 3.4Å; K679-N682 PolarHBondContact O-N 3.25Å; M680-N682 PolarHBondContact O-N 3.2Å; N682-R685 PolarHBondContact O-N 3.25Å; N682-R685 PolarHBondContact OD1-NH1 3.29Å; N682-H686 WeakPolarHBondContact O-CB 3.32Å; N682-H686 PolarHBondContact O-N 3.2Å
683V91Very high87.2Confident4 Ų460 Ų602%0.02430%0.295CS..Hα-helixtrans-62.7-47.4175.4170.40000111.1L561 V565 I663 M667 K679 M680 R685 H686 Y687L561-V683 HydrophobicContact CD2-CG2 3.74Å; L561-V683 HydrophobicContact CG-CG2 4.07Å; V565-V683 HydrophobicContact CB-CG1 4.48Å; V565-V683 HydrophobicContact CG1-CG1 4.4Å; V565-V683 HydrophobicContact CG2-CG1 3.45Å; V565-V683 VanDerWaalsContact CG2-CG1 3.45Å; I663-V683 HydrophobicContact CG2-CG1 4.48Å; M667-V683 HydrophobicContact SD-CB 4.37Å; M667-V683 HydrophobicContact SD-CG1 4.12Å; M667-V683 HydrophobicContact SD-CG2 4.35Å; K679-V683 PolarHBondContact O-N 3.33Å; M680-V683 PolarHBondContact O-N 3.11Å; V683-R685 VanDerWaalsContact C-N 3.29Å; V683-R685 PolarHBondContact O-N 3.18Å; V683-H686 WeakPolarHBondContact O-CB 3.38Å; V683-H686 PolarHBondContact O-N 2.79Å; V683-H686 VanDerWaalsContact O-N 3.17Å; V683-Y687 PolarHBondContact O-N 3.18Å
684V92.1Very high88.1Confident0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-65.2-35.5176.3-179.30000111.2I663 M680 Y687 F688 F704 V707 W708 F711I663-V684 HydrophobicContact CG2-CG2 4.49Å; M680-V684 PolarHBondContact O-N 2.98Å; M680-V684 VanDerWaalsContact O-N 3.12Å; V684-Y687 WeakPolarHBondContact O-CB 3.14Å; V684-Y687 PolarHBondContact O-N 2.9Å; V684-F688 PolarHBondContact O-N 3.24Å; V684-F704 HydrophobicContact CG1-CE2 4.28Å; V684-V707 HydrophobicContact CG1-CG1 4.12Å; V684-W708 HydrophobicContact CB-CE3 3.83Å; V684-W708 HydrophobicContact CB-CZ3 3.98Å; V684-W708 HydrophobicContact CG1-CE3 3.95Å; V684-W708 HydrophobicContact CG2-CE3 4Å; V684-W708 HydrophobicContact CG2-CZ3 3.74Å; V684-F711 HydrophobicContact CG1-CB 4.25Å; V684-F711 HydrophobicContact CG1-CG 4.43Å; V684-F711 HydrophobicContact CG2-CB 4.34Å; V684-F711 HydrophobicContact CG2-CD1 3.77Å; V684-F711 HydrophobicContact CG2-CD2 3.7Å; V684-F711 HydrophobicContact CG2-CE1 3.95Å; V684-F711 HydrophobicContact CG2-CE2 3.88Å; V684-F711 HydrophobicContact CG2-CG 3.65Å; V684-F711 HydrophobicContact CG2-CZ 4.01Å
685R93Very high88.7Confident83 Ų8356.6 Ų56.631%0.31327%0.268SS..Hα-helixtrans-65.2-39.2173.6-167.5179.1-62.9106-4.6112.1K681 N682 V683 F688 Q689 F704K681-R685 WeakPolarHBondContact O-CB 3.2Å; K681-R685 PolarHBondContact O-N 3.38Å; K681-R685 VanDerWaalsContact O-N 3.09Å; N682-R685 PolarHBondContact O-N 3.25Å; N682-R685 PolarHBondContact OD1-NH1 3.29Å; V683-R685 VanDerWaalsContact C-N 3.29Å; V683-R685 PolarHBondContact O-N 3.18Å; R685-F688 PolarHBondContact O-N 3.22Å; R685-Q689 WeakPolarHBondContact O-CG 3.47Å; R685-Q689 PolarHBondContact O-N 2.76Å; R685-F704 VanDerWaalsContact CA-CE2 3.41Å; R685-F704 HydrophobicContact CB-CD2 4.19Å; R685-F704 HydrophobicContact CB-CE2 3.56Å; R685-F704 HydrophobicContact CB-CZ 3.92Å; R685-F704 HydrophobicContact CG-CD2 4.14Å; R685-F704 HydrophobicContact CG-CE2 3.98Å; R685-F704 HydrophobicContact CG-CZ 4.36Å
686H92.9Very high89Confident37 Ų3758.2 Ų58.217%0.17128%0.279CS..Hα-helixtrans-61.7-47.8174.2-167.971.5000110.6L562 E566 N682 V683 F688 Q689 Q690L562-H686 HydrophobicContact CD2-CB 4.04Å; E566-H686 WeakPolarHBondContact CG-NE2 3.48Å; E566-H686 IonicContact OE1-CE1 3.05Å; E566-H686 PolarHBondContact OE1-CE1 3.17Å; E566-H686 IonicContact OE1-NE2 3.86Å; E566-H686 PolarHBondContact OE1-NE2 3.46Å; N682-H686 WeakPolarHBondContact O-CB 3.32Å; N682-H686 PolarHBondContact O-N 3.2Å; V683-H686 WeakPolarHBondContact O-CB 3.38Å; V683-H686 PolarHBondContact O-N 2.79Å; V683-H686 VanDerWaalsContact O-N 3.17Å; H686-F688 VanDerWaalsContact C-N 3.35Å; H686-F688 PolarHBondContact O-N 3.11Å; H686-Q689 PolarHBondContact O-N 3.27Å; H686-Q690 VanDerWaalsContact O-CG 3.3Å; H686-Q690 WeakPolarHBondContact O-CG 2.87Å; H686-Q690 PolarHBondContact O-N 2.85Å
687Y93.5Very high89.1Confident0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-53.4-50.3173.2174.9-95.2000112V565 A569 Q572 M616 F659 I663 V683 V684 Q689 Q690 M691V565-Y687 HydrophobicContact CG1-CD2 4.24Å; V565-Y687 HydrophobicContact CG1-CG 4.45Å; A569-Y687 HydrophobicContact CB-CD2 3.74Å; A569-Y687 HydrophobicContact CB-CE2 3.72Å; Q572-Y687 PolarHBondContact OE1-OH 3.49Å; M616-Y687 HydrophobicContact CE-CE1 4.49Å; F659-Y687 HydrophobicContact CB-CE1 4.21Å; F659-Y687 WeakPolarHBondContact CB-OH 3.35Å; F659-Y687 AromaticContact CD2-CD1 3.7Å; F659-Y687 HydrophobicContact CD2-CD1 3.7Å; F659-Y687 AromaticContact CD2-CE1 3.07Å; F659-Y687 HydrophobicContact CD2-CE1 3.07Å; F659-Y687 HydrophobicContact CD2-CE2 4.31Å; F659-Y687 AromaticContact CD2-CZ 3.46Å; F659-Y687 VanDerWaalsContact CD2-CZ 3.46Å; F659-Y687 AromaticContact CE2-CD1 3.76Å; F659-Y687 HydrophobicContact CE2-CD1 3.76Å; F659-Y687 AromaticContact CE2-CE1 3.54Å; F659-Y687 HydrophobicContact CE2-CE1 3.54Å; F659-Y687 AromaticContact CG-CE1 3.68Å; F659-Y687 HydrophobicContact CG-CE1 3.68Å; F659-Y687 AromaticContact CG-CZ 3.85Å; F659-Y687 HydrophobicContact CZ-CE1 4.44Å; I663-Y687 HydrophobicContact CD1-CD1 3.87Å; I663-Y687 HydrophobicContact CD1-CD2 3.54Å; I663-Y687 HydrophobicContact CD1-CE1 4.34Å; I663-Y687 HydrophobicContact CD1-CE2 4.04Å; I663-Y687 HydrophobicContact CD1-CG 3.46Å; I663-Y687 VanDerWaalsContact CD1-CG 3.46Å; V683-Y687 PolarHBondContact O-N 3.18Å; V684-Y687 WeakPolarHBondContact O-CB 3.14Å; V684-Y687 PolarHBondContact O-N 2.9Å; Y687-Q689 VanDerWaalsContact C-N 3.32Å; Y687-Q689 PolarHBondContact O-N 2.93Å; Y687-Q690 PolarHBondContact O-N 3.43Å; Y687-M691 HydrophobicContact CD1-CG 4.16Å; Y687-M691 HydrophobicContact CD2-CG 4.35Å; Y687-M691 HydrophobicContact CE1-CG 3.56Å; Y687-M691 HydrophobicContact CE2-CG 3.78Å; Y687-M691 HydrophobicContact CE2-SD 4.18Å; Y687-M691 WeakPolarHBondContact O-CG 3.29Å; Y687-M691 PolarHBondContact O-N 3.09Å; Y687-M691 WeakPolarHBondContact OH-CG 3.32Å
688F92.7Very high89.3Confident19 Ų1952.7 Ų52.78%0.08328%0.278CS..Hα-helixtrans-58.2-42.8178.7176-110.9000112.4V684 R685 H686 M691 K692 M699 I702 F704 V707V684-F688 PolarHBondContact O-N 3.24Å; R685-F688 PolarHBondContact O-N 3.22Å; H686-F688 VanDerWaalsContact C-N 3.35Å; H686-F688 PolarHBondContact O-N 3.11Å; F688-M691 PolarHBondContact O-N 3.27Å; F688-K692 HydrophobicContact CE1-CD 4.48Å; F688-K692 HydrophobicContact CZ-CD 4.41Å; F688-K692 WeakPolarHBondContact O-CB 3.4Å; F688-K692 PolarHBondContact O-N 3.35Å; F688-M699 HydrophobicContact CD2-CE 3.44Å; F688-M699 VanDerWaalsContact CD2-CE 3.44Å; F688-M699 HydrophobicContact CE2-CE 3.53Å; F688-I702 HydrophobicContact CE2-CG2 4.48Å; F688-I702 WeakPolarHBondContact CE2-O 3.13Å; F688-I702 VanDerWaalsContact CZ-O 3.24Å; F688-I702 WeakPolarHBondContact CZ-O 3.5Å; F688-F704 HydrophobicContact CB-CD2 4.12Å; F688-F704 HydrophobicContact CD1-CB 3.88Å; F688-F704 HydrophobicContact CD1-CD2 4.12Å; F688-F704 HydrophobicContact CD1-CG 4.46Å; F688-F704 HydrophobicContact CE1-CB 3.86Å; F688-F704 HydrophobicContact CG-CB 4.46Å; F688-F704 HydrophobicContact CG-CD2 4.21Å; F688-F704 HydrophobicContact CZ-CB 4.4Å; F688-V707 HydrophobicContact CB-CG1 4.41Å; F688-V707 HydrophobicContact CD2-CB 4.24Å; F688-V707 HydrophobicContact CD2-CG1 4.44Å; F688-V707 HydrophobicContact CD2-CG2 3.65Å; F688-V707 HydrophobicContact CE2-CG2 3.99Å
689Q92.8Very high89.6Confident104 Ų10449.2 Ų49.249%0.48625%0.253SS..Hα-helixtrans-66.1-39.3177.1-73.1173.1-14.300112.7R685 H686 Y687 K692 T693R685-Q689 WeakPolarHBondContact O-CG 3.47Å; R685-Q689 PolarHBondContact O-N 2.76Å; H686-Q689 PolarHBondContact O-N 3.27Å; Y687-Q689 VanDerWaalsContact C-N 3.32Å; Y687-Q689 PolarHBondContact O-N 2.93Å; Q689-K692 PolarHBondContact O-N 3.3Å; Q689-T693 PolarHBondContact O-N 3.3Å; Q689-T693 VanDerWaalsContact O-N 3.09Å; Q689-T693 PolarHBondContact O-OG1 3.33Å
690Q92.9Very high89.7Confident40 Ų4051 Ų5119%0.18727%0.266CS..Hα-helixtrans-64.2-48174.9-68-66.4-30.200110.9E566 A569 H686 Y687 K692 T693 L694E566-Q690 HydrophobicContact CG-CG 3.91Å; E566-Q690 PolarHBondContact OE1-NE2 3.04Å; A569-Q690 HydrophobicContact CB-CB 3.98Å; H686-Q690 VanDerWaalsContact O-CG 3.3Å; H686-Q690 WeakPolarHBondContact O-CG 2.87Å; H686-Q690 PolarHBondContact O-N 2.85Å; Y687-Q690 PolarHBondContact O-N 3.43Å; Q690-K692 VanDerWaalsContact C-N 3.34Å; Q690-K692 PolarHBondContact O-N 2.96Å; Q690-T693 WeakPolarHBondContact O-CB 3.46Å; Q690-T693 PolarHBondContact O-N 2.81Å; Q690-T693 VanDerWaalsContact O-N 3.12Å; Q690-L694 WeakPolarHBondContact O-CB 3.3Å; Q690-L694 VanDerWaalsContact O-CG 3.29Å; Q690-L694 WeakPolarHBondContact O-CG 3.39Å; Q690-L694 PolarHBondContact O-N 3.08Å
691M91.9Very high89.3Confident0 Ų054.6 Ų54.60%029%0.294CS..Hα-helixtrans-60.8-41.7175.7-71.7-60.2-74.500112.1A569 A573 L576 M616 Y687 F688 T693 L694 V695 M699A569-M691 HydrophobicContact CB-CG 4.4Å; A569-M691 HydrophobicContact CB-SD 4.13Å; A569-M691 VanDerWaalsContact O-SD 3.39Å; A573-M691 HydrophobicContact CB-CE 4.25Å; A573-M691 HydrophobicContact CB-SD 3.93Å; L576-M691 HydrophobicContact CD1-CE 3.7Å; M616-M691 HydrophobicContact CE-CE 3.83Å; Y687-M691 HydrophobicContact CD1-CG 4.16Å; Y687-M691 HydrophobicContact CD2-CG 4.35Å; Y687-M691 HydrophobicContact CE1-CG 3.56Å; Y687-M691 HydrophobicContact CE2-CG 3.78Å; Y687-M691 HydrophobicContact CE2-SD 4.18Å; Y687-M691 WeakPolarHBondContact O-CG 3.29Å; Y687-M691 PolarHBondContact O-N 3.09Å; Y687-M691 WeakPolarHBondContact OH-CG 3.32Å; F688-M691 PolarHBondContact O-N 3.27Å; M691-T693 PolarHBondContact O-N 3.19Å; M691-L694 PolarHBondContact O-N 3.33Å; M691-V695 HydrophobicContact CE-CG2 3.9Å; M691-V695 PolarHBondContact O-N 3.14Å; M691-V695 HydrophobicContact SD-CG2 4.5Å; M691-M699 HydrophobicContact CB-CE 3.93Å; M691-M699 HydrophobicContact CB-CG 4.03Å; M691-M699 HydrophobicContact CB-SD 4.05Å
692K89.9Confident89.1Confident82 Ų8251 Ų5136%0.35728%0.279SS..Hα-helixtrans-63-29.9177.1-167.1166.8-173.4164.40112.7F688 Q689 Q690 P696 M699 D700F688-K692 HydrophobicContact CE1-CD 4.48Å; F688-K692 HydrophobicContact CZ-CD 4.41Å; F688-K692 WeakPolarHBondContact O-CB 3.4Å; F688-K692 PolarHBondContact O-N 3.35Å; Q689-K692 PolarHBondContact O-N 3.3Å; Q690-K692 VanDerWaalsContact C-N 3.34Å; Q690-K692 PolarHBondContact O-N 2.96Å; K692-P696 VanDerWaalsContact O-CA 3.24Å; K692-P696 WeakPolarHBondContact O-CA 3.26Å; K692-P696 VanDerWaalsContact O-CB 3.28Å; K692-P696 WeakPolarHBondContact O-CB 3.43Å; K692-P696 WeakPolarHBondContact O-CD 3.45Å; K692-M699 HydrophobicContact CB-CB 4.08Å; K692-M699 HydrophobicContact CG-CB 4.15Å; K692-D700 WeakPolarHBondContact CE-OD1 3.33Å; K692-D700 IonicContact NZ-OD1 2.7Å
693T91.6Very high89Confident108 Ų10849.8 Ų49.866%0.66328%0.277SS*.Hα-helixtrans-78.7-40.1175.6-57.50000111.9Q689 Q690 M691Q689-T693 PolarHBondContact O-N 3.3Å; Q689-T693 VanDerWaalsContact O-N 3.09Å; Q689-T693 PolarHBondContact O-OG1 3.33Å; Q690-T693 WeakPolarHBondContact O-CB 3.46Å; Q690-T693 PolarHBondContact O-N 2.81Å; Q690-T693 VanDerWaalsContact O-N 3.12Å; M691-T693 PolarHBondContact O-N 3.19Å
694L91.9Very high89Confident65 Ų6551.1 Ų51.134%0.3428%0.282SS..Hα-helixtrans-79.4-33.7-176.6-68.2166.6000113.2A569 K570 A573 Q690 M691A569-L694 HydrophobicContact CB-CD1 4.49Å; K570-L694 HydrophobicContact CG-CD1 3.91Å; K570-L694 HydrophobicContact CG-CD2 4.48Å; A573-L694 HydrophobicContact CB-CB 3.72Å; A573-L694 HydrophobicContact CB-CD1 3.93Å; A573-L694 HydrophobicContact CB-CG 4.41Å; Q690-L694 WeakPolarHBondContact O-CB 3.3Å; Q690-L694 VanDerWaalsContact O-CG 3.29Å; Q690-L694 WeakPolarHBondContact O-CG 3.39Å; Q690-L694 PolarHBondContact O-N 3.08Å; M691-L694 PolarHBondContact O-N 3.33Å
695V88.6Confident88.8Confident8 Ų856.3 Ų56.35%0.04831%0.31CS..  trans-140.260.1-177.2-109.60000111.5A573 L576 I577 M691 S697 I698 M699A573-V695 HydrophobicContact CB-CG2 3.67Å; L576-V695 HydrophobicContact CD1-CG2 4.48Å; I577-V695 HydrophobicContact CD1-CG1 4.07Å; I577-V695 HydrophobicContact CG1-CG1 3.61Å; M691-V695 HydrophobicContact CE-CG2 3.9Å; M691-V695 PolarHBondContact O-N 3.14Å; M691-V695 HydrophobicContact SD-CG2 4.5Å; V695-S697 VanDerWaalsContact C-N 3.25Å; V695-S697 PolarHBondContact O-N 2.9Å; V695-I698 HydrophobicContact CG1-CD1 4.18Å; V695-I698 PolarHBondContact O-N 3.13Å; V695-I698 VanDerWaalsContact O-N 3.14Å; V695-M699 WeakPolarHBondContact O-CG 3.31Å; V695-M699 PolarHBondContact O-N 3.46Å; V695-M699 VanDerWaalsContact O-N 3.13Å
696P86.6Confident88.3Confident59 Ų5953.7 Ų53.738%0.38330%0.304SS..Hα-helixtrans-57.3-36.3-176.918.4-29.3000113.2K692 I698 M699 D700K692-P696 VanDerWaalsContact O-CA 3.24Å; K692-P696 WeakPolarHBondContact O-CA 3.26Å; K692-P696 VanDerWaalsContact O-CB 3.28Å; K692-P696 WeakPolarHBondContact O-CB 3.43Å; K692-P696 WeakPolarHBondContact O-CD 3.45Å; P696-I698 PolarHBondContact O-N 3.26Å; P696-I698 VanDerWaalsContact O-N 3.13Å; P696-M699 PolarHBondContact O-N 3.3Å; P696-M699 VanDerWaalsContact O-N 3.16Å; P696-D700 WeakPolarHBondContact O-CB 3.24Å; P696-D700 PolarHBondContact O-N 3.4Å
697S81.8Confident88Confident103 Ų10352 Ų5272%0.7230%0.296SS*.Hα-helixtrans-58.9-26.8179.754.80000114.5V695V695-S697 VanDerWaalsContact C-N 3.25Å; V695-S697 PolarHBondContact O-N 2.9Å
698I82.8Confident87.8Confident50 Ų5053.2 Ų53.226%0.25630%0.301SS..Hα-helixtrans-94-41.2176-60.6175000109.7L576 P617 V695 P696 I702L576-I698 HydrophobicContact CB-CD1 4.04Å; L576-I698 HydrophobicContact CD1-CD1 4.22Å; P617-I698 HydrophobicContact CG-CG2 3.92Å; V695-I698 HydrophobicContact CG1-CD1 4.18Å; V695-I698 PolarHBondContact O-N 3.13Å; V695-I698 VanDerWaalsContact O-N 3.14Å; P696-I698 PolarHBondContact O-N 3.26Å; P696-I698 VanDerWaalsContact O-N 3.13Å; I698-I702 HydrophobicContact CG2-CD1 4.48Å
699M85.9Confident87.4Confident0 Ų055.8 Ų55.80%031%0.313CS..Hα-helixtrans-83-18.5-169-62.7-58.4-61.100114.5M616 F688 M691 K692 V695 P696 C701 I702 V707M616-M699 HydrophobicContact CE-SD 4.12Å; M616-M699 HydrophobicContact SD-CE 4.48Å; M616-M699 HydrophobicContact SD-SD 4.38Å; F688-M699 HydrophobicContact CD2-CE 3.44Å; F688-M699 VanDerWaalsContact CD2-CE 3.44Å; F688-M699 HydrophobicContact CE2-CE 3.53Å; M691-M699 HydrophobicContact CB-CE 3.93Å; M691-M699 HydrophobicContact CB-CG 4.03Å; M691-M699 HydrophobicContact CB-SD 4.05Å; K692-M699 HydrophobicContact CB-CB 4.08Å; K692-M699 HydrophobicContact CG-CB 4.15Å; V695-M699 WeakPolarHBondContact O-CG 3.31Å; V695-M699 PolarHBondContact O-N 3.46Å; V695-M699 VanDerWaalsContact O-N 3.13Å; P696-M699 PolarHBondContact O-N 3.3Å; P696-M699 VanDerWaalsContact O-N 3.16Å; M699-C701 PolarHBondContact O-N 2.78Å; M699-I702 PolarHBondContact O-N 3.21Å; M699-I702 HydrophobicContact SD-CD1 4.12Å; M699-V707 HydrophobicContact CE-CG2 4.44Å
700D84.1Confident87Confident99 Ų9951.9 Ų51.953%0.52930%0.295SS..THydrogen-bonded Turntrans-64.4-26.2-178.2-81.7-23.8000113.6K692 P696K692-D700 WeakPolarHBondContact CE-OD1 3.33Å; K692-D700 IonicContact NZ-OD1 2.7Å; P696-D700 WeakPolarHBondContact O-CB 3.24Å; P696-D700 PolarHBondContact O-N 3.4Å
701C80.3Confident86.7Confident121 Ų12150 Ų5082%0.81829%0.287SS*.THydrogen-bonded Turntrans-87.8-4.5175.9-59.30000113.5M699M699-C701 PolarHBondContact O-N 2.78Å
702I84.4Confident86.3Confident10 Ų1054.4 Ų54.45%0.05131%0.307CS..  trans-107.6126.5-174.3-55.2178.3000109I615 M616 F688 I698 M699 V707I615-I702 HydrophobicContact CG2-CG1 4.22Å; I615-I702 HydrophobicContact CG2-CG2 4.15Å; I615-I702 WeakPolarHBondContact O-CD1 3.16Å; M616-I702 HydrophobicContact CB-CD1 4.01Å; M616-I702 HydrophobicContact CG-CD1 4.03Å; F688-I702 HydrophobicContact CE2-CG2 4.48Å; F688-I702 WeakPolarHBondContact CE2-O 3.13Å; F688-I702 VanDerWaalsContact CZ-O 3.24Å; F688-I702 WeakPolarHBondContact CZ-O 3.5Å; I698-I702 HydrophobicContact CG2-CD1 4.48Å; M699-I702 PolarHBondContact O-N 3.21Å; M699-I702 HydrophobicContact SD-CD1 4.12Å; I702-V707 HydrophobicContact CG2-CG2 3.63Å
703S88.5Confident85.7Confident54 Ų5454.3 Ų54.338%0.37831%0.307SS..  trans-81.4152.9174.778.30000111.4D705 S706 V707S703-D705 PolarHBondContact O-N 2.94Å; S703-D705 PolarHBondContact OG-N 3.04Å; S703-S706 WeakPolarHBondContact O-CB 3.39Å; S703-S706 PolarHBondContact O-N 3.29Å; S703-S706 PolarHBondContact OG-N 3.41Å; S703-S706 VanDerWaalsContact OG-N 3.14Å; S703-S706 PolarHBondContact OG-OG 2.89Å; S703-V707 PolarHBondContact O-N 3.35Å
704F90.4Very high84.9Confident31 Ų3150.2 Ų50.214%0.13628%0.281CS..Hα-helixtrans-58.5-35.1171.9169.5-105.7000111.9K681 V684 R685 F688 S706 V707 W708K681-F704 HydrophobicContact CG-CE1 4.36Å; K681-F704 HydrophobicContact CG-CZ 3.93Å; V684-F704 HydrophobicContact CG1-CE2 4.28Å; R685-F704 VanDerWaalsContact CA-CE2 3.41Å; R685-F704 HydrophobicContact CB-CD2 4.19Å; R685-F704 HydrophobicContact CB-CE2 3.56Å; R685-F704 HydrophobicContact CB-CZ 3.92Å; R685-F704 HydrophobicContact CG-CD2 4.14Å; R685-F704 HydrophobicContact CG-CE2 3.98Å; R685-F704 HydrophobicContact CG-CZ 4.36Å; F688-F704 HydrophobicContact CB-CD2 4.12Å; F688-F704 HydrophobicContact CD1-CB 3.88Å; F688-F704 HydrophobicContact CD1-CD2 4.12Å; F688-F704 HydrophobicContact CD1-CG 4.46Å; F688-F704 HydrophobicContact CE1-CB 3.86Å; F688-F704 HydrophobicContact CG-CB 4.46Å; F688-F704 HydrophobicContact CG-CD2 4.21Å; F688-F704 HydrophobicContact CZ-CB 4.4Å; F704-S706 VanDerWaalsContact C-N 3.29Å; F704-S706 PolarHBondContact O-N 3.09Å; F704-V707 PolarHBondContact O-N 2.75Å; F704-W708 HydrophobicContact CE1-CB 4.23Å; F704-W708 HydrophobicContact CE2-CB 4.37Å; F704-W708 HydrophobicContact CZ-CB 4.06Å; F704-W708 HydrophobicContact CZ-CD2 4.5Å; F704-W708 HydrophobicContact CZ-CE3 4.4Å; F704-W708 HydrophobicContact CZ-CG 4.38Å; F704-W708 WeakPolarHBondContact O-CB 3.16Å; F704-W708 PolarHBondContact O-N 3.36Å
705D87.9Confident84.2Confident110 Ų11049 Ų4959%0.58828%0.275SS*.Hα-helixtrans-64.3-35.6179.8-65.7-39.6000111.7S703 H709S703-D705 PolarHBondContact O-N 2.94Å; S703-D705 PolarHBondContact OG-N 3.04Å; D705-H709 VanDerWaalsContact O-CB 3.24Å; D705-H709 WeakPolarHBondContact O-CB 3.35Å; D705-H709 PolarHBondContact O-N 2.75Å
706S83.4Confident82.9Confident28 Ų2851.8 Ų51.820%0.19629%0.294CS..Hα-helixtrans-63.5-45.6172.7-550000112S703 F704 H709 I710S703-S706 WeakPolarHBondContact O-CB 3.39Å; S703-S706 PolarHBondContact O-N 3.29Å; S703-S706 PolarHBondContact OG-N 3.41Å; S703-S706 VanDerWaalsContact OG-N 3.14Å; S703-S706 PolarHBondContact OG-OG 2.89Å; F704-S706 VanDerWaalsContact C-N 3.29Å; F704-S706 PolarHBondContact O-N 3.09Å; S706-H709 PolarHBondContact O-N 3.05Å; S706-I710 WeakPolarHBondContact O-CG1 3.44Å; S706-I710 PolarHBondContact O-N 3.01Å
707V86.5Confident81.7Confident0 Ų055.2 Ų55.20%030%0.299CS..Hα-helixtrans-66.3-42.6178.51760000111.4F659 V684 F688 M699 I702 S703 F704 H709 I710 F711F659-V707 HydrophobicContact CE1-CG1 4.12Å; F659-V707 HydrophobicContact CE2-CG1 3.85Å; F659-V707 HydrophobicContact CZ-CB 4.36Å; F659-V707 HydrophobicContact CZ-CG1 3.37Å; V684-V707 HydrophobicContact CG1-CG1 4.12Å; F688-V707 HydrophobicContact CB-CG1 4.41Å; F688-V707 HydrophobicContact CD2-CB 4.24Å; F688-V707 HydrophobicContact CD2-CG1 4.44Å; F688-V707 HydrophobicContact CD2-CG2 3.65Å; F688-V707 HydrophobicContact CE2-CG2 3.99Å; M699-V707 HydrophobicContact CE-CG2 4.44Å; I702-V707 HydrophobicContact CG2-CG2 3.63Å; S703-V707 PolarHBondContact O-N 3.35Å; F704-V707 PolarHBondContact O-N 2.75Å; V707-H709 VanDerWaalsContact C-N 3.32Å; V707-H709 PolarHBondContact O-N 2.96Å; V707-I710 PolarHBondContact O-N 3.13Å; V707-F711 PolarHBondContact O-N 3.27Å
708W89.9Confident80.5Confident26 Ų2650.7 Ų50.710%0.09827%0.267CS..Hα-helixtrans-61.9-41.5174.6-179.8-106.1000111.5M680 K681 V684 F704 F711 E712M680-W708 HydrophobicContact CG-CH2 4.01Å; M680-W708 HydrophobicContact CG-CZ3 4.26Å; K681-W708 VanDerWaalsContact CA-CZ3 3.43Å; K681-W708 HydrophobicContact CB-CE3 4.34Å; K681-W708 HydrophobicContact CB-CH2 3.72Å; K681-W708 HydrophobicContact CB-CZ2 4.15Å; K681-W708 HydrophobicContact CB-CZ3 3.84Å; K681-W708 HydrophobicContact CD-CD2 4.23Å; K681-W708 HydrophobicContact CD-CH2 4.45Å; K681-W708 HydrophobicContact CD-CZ2 4.04Å; K681-W708 HydrophobicContact CG-CD2 3.99Å; K681-W708 HydrophobicContact CG-CE3 3.89Å; K681-W708 HydrophobicContact CG-CH2 4Å; K681-W708 HydrophobicContact CG-CZ2 4.07Å; K681-W708 HydrophobicContact CG-CZ3 3.92Å; V684-W708 HydrophobicContact CB-CE3 3.83Å; V684-W708 HydrophobicContact CB-CZ3 3.98Å; V684-W708 HydrophobicContact CG1-CE3 3.95Å; V684-W708 HydrophobicContact CG2-CE3 4Å; V684-W708 HydrophobicContact CG2-CZ3 3.74Å; F704-W708 HydrophobicContact CE1-CB 4.23Å; F704-W708 HydrophobicContact CE2-CB 4.37Å; F704-W708 HydrophobicContact CZ-CB 4.06Å; F704-W708 HydrophobicContact CZ-CD2 4.5Å; F704-W708 HydrophobicContact CZ-CE3 4.4Å; F704-W708 HydrophobicContact CZ-CG 4.38Å; F704-W708 WeakPolarHBondContact O-CB 3.16Å; F704-W708 PolarHBondContact O-N 3.36Å; W708-F711 HydrophobicContact CE3-CD1 4.13Å; W708-F711 HydrophobicContact CH2-CD1 4.24Å; W708-F711 HydrophobicContact CH2-CE1 4.3Å; W708-F711 AromaticContact CZ3-CD1 3.72Å; W708-F711 HydrophobicContact CZ3-CD1 3.72Å; W708-F711 HydrophobicContact CZ3-CE1 4Å; W708-F711 PolarHBondContact O-N 2.74Å; W708-E712 HydrophobicContact CD2-CG 4.34Å; W708-E712 VanDerWaalsContact CE2-OE1 3.31Å; W708-E712 HydrophobicContact CZ2-CG 3.88Å; W708-E712 WeakPolarHBondContact CZ2-OE1 3.32Å; W708-E712 PolarHBondContact NE1-OE1 3.01Å; W708-E712 PolarHBondContact NE1-OE2 3.41Å; W708-E712 PolarHBondContact O-N 3.06Å
709H84.2Confident79.1Confident73 Ų7350.2 Ų50.234%0.33827%0.266SS..Hα-helixtrans-63.2-44176.8-167.666.8000112.2D705 S706 V707 F711 E712 K713D705-H709 VanDerWaalsContact O-CB 3.24Å; D705-H709 WeakPolarHBondContact O-CB 3.35Å; D705-H709 PolarHBondContact O-N 2.75Å; S706-H709 PolarHBondContact O-N 3.05Å; V707-H709 VanDerWaalsContact C-N 3.32Å; V707-H709 PolarHBondContact O-N 2.96Å; H709-F711 VanDerWaalsContact C-N 3.33Å; H709-F711 PolarHBondContact O-N 2.82Å; H709-E712 PolarHBondContact O-N 3.36Å; H709-K713 WeakPolarHBondContact O-CB 3.21Å; H709-K713 VanDerWaalsContact O-CG 3.27Å; H709-K713 WeakPolarHBondContact O-CG 3.39Å; H709-K713 PolarHBondContact O-N 3.28Å
710I83.1Confident77.2Confident23 Ų2351.5 Ų51.512%0.11827%0.273CS..Hα-helixtrans-60.1-44.8174.9-66.8164.1000110.4M616 F659 A660 S706 V707 K713 T714M616-I710 HydrophobicContact CB-CD1 4.34Å; F659-I710 HydrophobicContact CD1-CG2 4.5Å; F659-I710 HydrophobicContact CE1-CB 4.11Å; F659-I710 HydrophobicContact CE1-CD1 4.39Å; F659-I710 HydrophobicContact CE1-CG2 3.72Å; F659-I710 HydrophobicContact CZ-CB 4.45Å; F659-I710 HydrophobicContact CZ-CG2 4.28Å; A660-I710 HydrophobicContact CB-CG2 4.26Å; S706-I710 WeakPolarHBondContact O-CG1 3.44Å; S706-I710 PolarHBondContact O-N 3.01Å; V707-I710 PolarHBondContact O-N 3.13Å; I710-K713 PolarHBondContact O-N 2.97Å; I710-T714 WeakPolarHBondContact O-CB 3.45Å; I710-T714 PolarHBondContact O-N 3.23Å; I710-T714 PolarHBondContact O-OG1 3.38Å
711F87Confident75.4Confident0 Ų052.5 Ų52.50%027%0.273CS..Hα-helixtrans-61.3-48.5176.3176.2-91.2000112.2A660 I663 C664 M667 M680 V684 V707 W708 H709 K713 T714 L715A660-F711 HydrophobicContact CB-CB 4.41Å; A660-F711 HydrophobicContact CB-CD2 4.34Å; I663-F711 HydrophobicContact CB-CD2 4.37Å; I663-F711 HydrophobicContact CB-CE2 4.09Å; I663-F711 HydrophobicContact CG2-CD2 4.16Å; I663-F711 HydrophobicContact CG2-CE2 3.64Å; C664-F711 HydrophobicContact CB-CE2 4.45Å; C664-F711 VanDerWaalsContact SG-CD2 3.6Å; C664-F711 WeakPolarHBondContact SG-CE2 3.35Å; M667-F711 HydrophobicContact CG-CZ 4.42Å; M680-F711 HydrophobicContact CG-CE1 3.77Å; M680-F711 HydrophobicContact CG-CZ 4.05Å; M680-F711 HydrophobicContact SD-CE1 3.84Å; M680-F711 HydrophobicContact SD-CZ 4.17Å; V684-F711 HydrophobicContact CG1-CB 4.25Å; V684-F711 HydrophobicContact CG1-CG 4.43Å; V684-F711 HydrophobicContact CG2-CB 4.34Å; V684-F711 HydrophobicContact CG2-CD1 3.77Å; V684-F711 HydrophobicContact CG2-CD2 3.7Å; V684-F711 HydrophobicContact CG2-CE1 3.95Å; V684-F711 HydrophobicContact CG2-CE2 3.88Å; V684-F711 HydrophobicContact CG2-CG 3.65Å; V684-F711 HydrophobicContact CG2-CZ 4.01Å; V707-F711 PolarHBondContact O-N 3.27Å; W708-F711 HydrophobicContact CE3-CD1 4.13Å; W708-F711 HydrophobicContact CH2-CD1 4.24Å; W708-F711 HydrophobicContact CH2-CE1 4.3Å; W708-F711 AromaticContact CZ3-CD1 3.72Å; W708-F711 HydrophobicContact CZ3-CD1 3.72Å; W708-F711 HydrophobicContact CZ3-CE1 4Å; W708-F711 PolarHBondContact O-N 2.74Å; H709-F711 VanDerWaalsContact C-N 3.33Å; H709-F711 PolarHBondContact O-N 2.82Å; F711-K713 VanDerWaalsContact C-N 3.25Å; F711-K713 PolarHBondContact O-N 3.22Å; F711-T714 PolarHBondContact O-N 2.88Å; F711-T714 VanDerWaalsContact O-N 3.11Å; F711-L715 HydrophobicContact CE1-CB 4.49Å; F711-L715 HydrophobicContact CE1-CD2 4.19Å; F711-L715 HydrophobicContact CZ-CD1 4.2Å; F711-L715 WeakPolarHBondContact O-CB 3.45Å; F711-L715 PolarHBondContact O-N 3.46Å
712E83.3Confident73.7Confident93 Ų9348.6 Ų48.644%0.43524%0.244SC..Hα-helixtrans-59.9-36177.4-81.6-176.7151.200112.4W708 H709 P716W708-E712 HydrophobicContact CD2-CG 4.34Å; W708-E712 VanDerWaalsContact CE2-OE1 3.31Å; W708-E712 HydrophobicContact CZ2-CG 3.88Å; W708-E712 WeakPolarHBondContact CZ2-OE1 3.32Å; W708-E712 PolarHBondContact NE1-OE1 3.01Å; W708-E712 PolarHBondContact NE1-OE2 3.41Å; W708-E712 PolarHBondContact O-N 3.06Å; H709-E712 PolarHBondContact O-N 3.36Å; E712-P716 WeakPolarHBondContact O-CD 3.41Å
713K77Confident71.4Confident80 Ų8048.1 Ų48.135%0.34824%0.241SC..Hα-helixtrans-73.5-33.2176-70.4-70-176.3176.20112.4H709 I710 F711H709-K713 WeakPolarHBondContact O-CB 3.21Å; H709-K713 VanDerWaalsContact O-CG 3.27Å; H709-K713 WeakPolarHBondContact O-CG 3.39Å; H709-K713 PolarHBondContact O-N 3.28Å; I710-K713 PolarHBondContact O-N 2.97Å; F711-K713 VanDerWaalsContact C-N 3.25Å; F711-K713 PolarHBondContact O-N 3.22Å
714T75Confident68.8Low21 Ų2150.2 Ų50.213%0.12925%0.254CS..Hα-helixtrans-79.5-33.9-179.4-51.40000112.2A660 E661 I710 F711 W717 T718A660-T714 HydrophobicContact CB-CG2 3.85Å; A660-T714 WeakPolarHBondContact CB-OG1 3.38Å; E661-T714 HydrophobicContact CG-CG2 3.96Å; I710-T714 WeakPolarHBondContact O-CB 3.45Å; I710-T714 PolarHBondContact O-N 3.23Å; I710-T714 PolarHBondContact O-OG1 3.38Å; F711-T714 PolarHBondContact O-N 2.88Å; F711-T714 VanDerWaalsContact O-N 3.11Å; T714-W717 WeakPolarHBondContact O-CA 3.37Å; T714-W717 WeakPolarHBondContact O-CB 3.46Å; T714-W717 PolarHBondContact O-N 2.7Å; T714-T718 PolarHBondContact O-N 3.3Å; T714-T718 PolarHBondContact O-OG1 3.32Å
715L76.8Confident66.1Low40 Ų4054.5 Ų54.521%0.20927%0.272CS..Hα-helixtrans-55.6-46.2-174.1-179.369.4000114.4C664 V668 M680 F711 W717 T718 T719C664-L715 HydrophobicContact CB-CD1 4.02Å; C664-L715 VanDerWaalsContact SG-CA 3.51Å; V668-L715 HydrophobicContact CG2-CD1 3.97Å; M680-L715 HydrophobicContact SD-CD2 3.95Å; F711-L715 HydrophobicContact CE1-CB 4.49Å; F711-L715 HydrophobicContact CE1-CD2 4.19Å; F711-L715 HydrophobicContact CZ-CD1 4.2Å; F711-L715 WeakPolarHBondContact O-CB 3.45Å; F711-L715 PolarHBondContact O-N 3.46Å; L715-W717 VanDerWaalsContact C-N 3.32Å; L715-W717 PolarHBondContact O-N 3.04Å; L715-T718 PolarHBondContact O-N 3.22Å; L715-T719 PolarHBondContact O-N 3.36Å; L715-T719 VanDerWaalsContact O-N 3.1Å; L715-T719 PolarHBondContact O-OG1 2.99Å
716P62.5Low63.5Low67 Ų6749.7 Ų49.744%0.43525%0.247SC..Hα-helixtrans-59.5-43.4173.4-22.132.3000111.7E712 T719 L720E712-P716 WeakPolarHBondContact O-CD 3.41Å; P716-T719 CarbonylContact O-C 3.6Å; P716-T719 WeakPolarHBondContact O-CA 3.3Å; P716-T719 VanDerWaalsContact O-CB 3.3Å; P716-T719 WeakPolarHBondContact O-CB 3.43Å; P716-T719 PolarHBondContact O-N 3.24Å; P716-T719 VanDerWaalsContact O-N 3.13Å; P716-L720 WeakPolarHBondContact O-CB 3.36Å; P716-L720 PolarHBondContact O-N 3.31Å
717W61Low61.1Low130 Ų13050.1 Ų50.149%0.49225%0.248SC..Hα-helixtrans-65.7-41.4-179.3-68.1116.9000112.9L606 T714 L715 T719 L720 F721L606-W717 HydrophobicContact CD2-CH2 4.44Å; L606-W717 HydrophobicContact CD2-CZ2 4.2Å; T714-W717 WeakPolarHBondContact O-CA 3.37Å; T714-W717 WeakPolarHBondContact O-CB 3.46Å; T714-W717 PolarHBondContact O-N 2.7Å; L715-W717 VanDerWaalsContact C-N 3.32Å; L715-W717 PolarHBondContact O-N 3.04Å; W717-T719 PolarHBondContact O-N 3.25Å; W717-L720 HydrophobicContact CE3-CB 4.42Å; W717-L720 HydrophobicContact CE3-CD1 4.38Å; W717-L720 CarbonylContact O-C 3.35Å; W717-L720 WeakPolarHBondContact O-CA 3.43Å; W717-L720 WeakPolarHBondContact O-CB 3.28Å; W717-L720 PolarHBondContact O-N 3.21Å; W717-F721 PolarHBondContact O-N 3.07Å
718T56.7Low58.5Low8 Ų857.4 Ų57.45%0.04928%0.28CS..Hα-helixtrans-63.5-34.2173.3-52.80000111.5C664 Y665 T714 L715 L720 I722C664-T718 HydrophobicContact CB-CG2 3.7Å; C664-T718 VanDerWaalsContact CB-OG1 3.23Å; C664-T718 WeakPolarHBondContact CB-OG1 3.4Å; Y665-T718 HydrophobicContact CD2-CG2 3.33Å; Y665-T718 HydrophobicContact CE2-CG2 3.86Å; Y665-T718 HydrophobicContact CG-CG2 4.02Å; T714-T718 PolarHBondContact O-N 3.3Å; T714-T718 PolarHBondContact O-OG1 3.32Å; L715-T718 PolarHBondContact O-N 3.22Å; T718-L720 VanDerWaalsContact C-N 3.28Å; T718-L720 PolarHBondContact O-N 3.2Å; T718-I722 WeakPolarHBondContact O-CD1 3.49Å
719T52.2Low55.9Low40 Ų4060.9 Ų60.925%0.24530%0.299CS..Hα-helixtrans-68.3-30.5172.7-46.30000111.6L715 P716 W717L715-T719 PolarHBondContact O-N 3.36Å; L715-T719 VanDerWaalsContact O-N 3.1Å; L715-T719 PolarHBondContact O-OG1 2.99Å; P716-T719 CarbonylContact O-C 3.6Å; P716-T719 WeakPolarHBondContact O-CA 3.3Å; P716-T719 VanDerWaalsContact O-CB 3.3Å; P716-T719 WeakPolarHBondContact O-CB 3.43Å; P716-T719 PolarHBondContact O-N 3.24Å; P716-T719 VanDerWaalsContact O-N 3.13Å; W717-T719 PolarHBondContact O-N 3.25Å
720L47.3Very low53.5Low28 Ų2860.2 Ų60.215%0.14730%0.298CS..Hα-helixtrans-83.6-35.9180-109.6134.1000114.4P716 W717 T718 I722 A723 V726 I730P716-L720 WeakPolarHBondContact O-CB 3.36Å; P716-L720 PolarHBondContact O-N 3.31Å; W717-L720 HydrophobicContact CE3-CB 4.42Å; W717-L720 HydrophobicContact CE3-CD1 4.38Å; W717-L720 CarbonylContact O-C 3.35Å; W717-L720 WeakPolarHBondContact O-CA 3.43Å; W717-L720 WeakPolarHBondContact O-CB 3.28Å; W717-L720 PolarHBondContact O-N 3.21Å; T718-L720 VanDerWaalsContact C-N 3.28Å; T718-L720 PolarHBondContact O-N 3.2Å; L720-I722 PolarHBondContact O-N 3.25Å; L720-A723 CarbonylContact O-C 3.56Å; L720-A723 VanDerWaalsContact O-CA 3.27Å; L720-A723 WeakPolarHBondContact O-CA 3.36Å; L720-A723 WeakPolarHBondContact O-CB 3.34Å; L720-A723 PolarHBondContact O-N 3.03Å; L720-V726 HydrophobicContact CD2-CB 3.89Å; L720-V726 HydrophobicContact CD2-CG1 3.34Å; L720-V726 HydrophobicContact CG-CG1 4.16Å; L720-I730 HydrophobicContact CD2-CD1 3.96Å
721F45.9Very low51.3Low119 Ų11960.6 Ų60.652%0.52230%0.3SS..Hα-helixtrans-65.9-21.7-179-130.8-84.2000112W717W717-F721 PolarHBondContact O-N 3.07Å
722I43.9Very low48.7Very low40 Ų4063.7 Ų63.721%0.20532%0.32CS..THydrogen-bonded Turntrans-92.74.9175.4-49.8167.6000110.7Y665 F669 T718 L720 P724 M758Y665-I722 HydrophobicContact CD1-CD1 4.17Å; Y665-I722 HydrophobicContact CD2-CD1 4.47Å; Y665-I722 HydrophobicContact CE1-CD1 3.48Å; Y665-I722 VanDerWaalsContact CE1-CD1 3.48Å; Y665-I722 HydrophobicContact CE1-CG1 4.29Å; Y665-I722 HydrophobicContact CE2-CD1 3.82Å; Y665-I722 HydrophobicContact CE2-CG1 4.25Å; Y665-I722 WeakPolarHBondContact OH-CD1 3.5Å; Y665-I722 VanDerWaalsContact OH-CG1 3.28Å; Y665-I722 WeakPolarHBondContact OH-CG1 3.41Å; F669-I722 HydrophobicContact CD2-CD1 4.11Å; F669-I722 HydrophobicContact CE1-CD1 4.35Å; F669-I722 HydrophobicContact CE1-CG2 4.46Å; F669-I722 HydrophobicContact CE2-CD1 2.97Å; F669-I722 HydrophobicContact CE2-CG1 4.39Å; F669-I722 HydrophobicContact CZ-CB 4.28Å; F669-I722 HydrophobicContact CZ-CD1 3.12Å; F669-I722 HydrophobicContact CZ-CG1 4.24Å; F669-I722 HydrophobicContact CZ-CG2 3.88Å; T718-I722 WeakPolarHBondContact O-CD1 3.49Å; L720-I722 PolarHBondContact O-N 3.25Å; I722-P724 WeakPolarHBondContact O-CD 3.47Å; I722-M758 WeakPolarHBondContact O-CE 3.36Å
723A37Very low46.5Very low0 Ų063 Ų630%033%0.331CS..  trans-94.781.1149.100000110.3L720 F725 V726 V727 M758L720-A723 CarbonylContact O-C 3.56Å; L720-A723 VanDerWaalsContact O-CA 3.27Å; L720-A723 WeakPolarHBondContact O-CA 3.36Å; L720-A723 WeakPolarHBondContact O-CB 3.34Å; L720-A723 PolarHBondContact O-N 3.03Å; A723-F725 PolarHBondContact O-N 2.85Å; A723-V726 HydrophobicContact CB-CB 3.26Å; A723-V726 HydrophobicContact CB-CG2 3.26Å; A723-V726 PolarHBondContact O-N 2.74Å; A723-V727 PolarHBondContact O-N 2.78Å; A723-M758 HydrophobicContact CB-CB 4.26Å; A723-M758 HydrophobicContact CB-CE 4.27Å; A723-M758 HydrophobicContact CB-CG 2.99Å; A723-M758 HydrophobicContact CB-SD 3.79Å
724P34.2Very low44.5Very low98 Ų9863.8 Ų63.864%0.63635%0.345SS*.Hα-helixtrans-46.4-23.2152.6-24.532.5000111.6I722I722-P724 WeakPolarHBondContact O-CD 3.47Å
725F32.7Very low42.5Very low120 Ų12069.6 Ų69.653%0.52637%0.368SS..Hα-helixtrans-82.9-35.3171.3-95.4-90.2000117.1A723 K728 I729A723-F725 PolarHBondContact O-N 2.85Å; F725-K728 WeakPolarHBondContact O-CB 3.49Å; F725-K728 PolarHBondContact O-N 3.22Å; F725-I729 WeakPolarHBondContact O-CG1 3.45Å; F725-I729 PolarHBondContact O-N 2.85Å
726V33.9Very low40.8Very low9 Ų972.9 Ų72.96%0.05539%0.386CS..Hα-helixtrans-79.1-31.3-174.3-177.90000111.5L720 A723 K728 I729 I730 N756 M758L720-V726 HydrophobicContact CD2-CB 3.89Å; L720-V726 HydrophobicContact CD2-CG1 3.34Å; L720-V726 HydrophobicContact CG-CG1 4.16Å; A723-V726 HydrophobicContact CB-CB 3.26Å; A723-V726 HydrophobicContact CB-CG2 3.26Å; A723-V726 PolarHBondContact O-N 2.74Å; V726-K728 PolarHBondContact O-N 2.85Å; V726-I729 PolarHBondContact O-N 3.32Å; V726-I729 VanDerWaalsContact O-N 3.08Å; V726-I730 HydrophobicContact CG1-CD1 3.36Å; V726-I730 HydrophobicContact CG1-CG1 3.64Å; V726-I730 PolarHBondContact O-N 2.63Å; V726-N756 HydrophobicContact CG2-CB 4.32Å; V726-M758 HydrophobicContact CG2-CG 3.87Å
727V32.8Very low39.4Very low38 Ų3878 Ų7823%0.2340%0.404CS..Hα-helixtrans-64.5-33.5172.21790000111F596 A723 I729 L731F596-V727 HydrophobicContact CE1-CG1 4.21Å; A723-V727 PolarHBondContact O-N 2.78Å; V727-I729 VanDerWaalsContact C-N 3.27Å; V727-I729 PolarHBondContact O-N 2.88Å; V727-L731 HydrophobicContact CG1-CD1 3.59Å
728K32.5Very low38Very low153 Ų15378.2 Ų78.267%0.66542%0.422SS*.Hα-helixtrans-65.2-27.4173.4-112.3-175.5178.7-177.80113.6F725 V726 P732F725-K728 WeakPolarHBondContact O-CB 3.49Å; F725-K728 PolarHBondContact O-N 3.22Å; V726-K728 PolarHBondContact O-N 2.85Å; K728-P732 WeakPolarHBondContact O-CD 3.28Å
729I34.2Very low36.7Very low98 Ų9880.6 Ų80.650%0.50344%0.443SS..Hα-helixtrans-98.1-35-173.8-63171.4000112.3F725 V726 V727 P732F725-I729 WeakPolarHBondContact O-CG1 3.45Å; F725-I729 PolarHBondContact O-N 2.85Å; V726-I729 PolarHBondContact O-N 3.32Å; V726-I729 VanDerWaalsContact O-N 3.08Å; V727-I729 VanDerWaalsContact C-N 3.27Å; V727-I729 PolarHBondContact O-N 2.88Å; I729-P732 WeakPolarHBondContact O-CD 3.16Å
730I34.4Very low35.5Very low59 Ų5982.9 Ų82.930%0.30346%0.46SS..Hα-helixtrans-80-33.2-176.4-64-173.1000112.6L720 V726 A733 C734L720-I730 HydrophobicContact CD2-CD1 3.96Å; V726-I730 HydrophobicContact CG1-CD1 3.36Å; V726-I730 HydrophobicContact CG1-CG1 3.64Å; V726-I730 PolarHBondContact O-N 2.63Å; I730-A733 PolarHBondContact O-N 3.35Å; I730-C734 PolarHBondContact O-N 3.24Å
731L36.5Very low34.6Very low31 Ų3190.2 Ų90.216%0.16249%0.494CS..Hα-helixtrans-61.1-38.3-176.9-101.6151.1000114.9V599 L602 V727V599-L731 HydrophobicContact CB-CD1 4.37Å; V599-L731 HydrophobicContact CG1-CD1 3.7Å; V599-L731 HydrophobicContact CG1-CD2 4.27Å; V599-L731 HydrophobicContact CG2-CD1 3.6Å; L602-L731 HydrophobicContact CB-CD2 3.97Å; L602-L731 HydrophobicContact CD1-CD2 4.19Å; L602-L731 HydrophobicContact CD2-CD1 4.23Å; L602-L731 HydrophobicContact CD2-CD2 3.75Å; L602-L731 HydrophobicContact CD2-CG 3.97Å; L602-L731 HydrophobicContact CG-CD2 4.16Å; V727-L731 HydrophobicContact CG1-CD1 3.59Å
732P33.7Very low33.7Very low65 Ų6588.9 Ų88.942%0.42250%0.499SS..Hα-helixtrans-65.5-36.2171.8-23.434.2000113.2K728 I729 C734K728-P732 WeakPolarHBondContact O-CD 3.28Å; I729-P732 WeakPolarHBondContact O-CD 3.16Å; P732-C734 VanDerWaalsContact C-N 3.3Å; P732-C734 PolarHBondContact O-N 3.33Å
733A36Very low32.9Very low80 Ų8091 Ų9166%0.66151%0.51SS*.Hα-helixtrans-71-21.3-174.200000114I730I730-A733 PolarHBondContact O-N 3.35Å
734C34.7Very low32.6Very low95 Ų9595.5 Ų95.564%0.64254%0.538SS*.THydrogen-bonded Turntrans-94.33.4-177.2-63.80000114.9I730 P732 N736I730-C734 PolarHBondContact O-N 3.24Å; P732-C734 VanDerWaalsContact C-N 3.3Å; P732-C734 PolarHBondContact O-N 3.33Å; C734-N736 PolarHBondContact O-N 3.01Å
735K34.1Very low32.3Very low144 Ų14496.5 Ų96.563%0.62654%0.537SS*.SBendtrans-80.3-10.9-172.1-95.2-173.4174.9-178.40116
736N40.5Very low32.1Very low108 Ų10894.5 Ų94.558%0.57854%0.535SS*.SBendtrans-107.92.4-160.6-74.2-11.2000118.4C734C734-N736 PolarHBondContact O-N 3.01Å
737E33.9Very low31.8Very low174 Ų17497.2 Ų97.281%0.81355%0.554SS**  trans-132.3112.1175.5-71.8-162.4168.800115.3A739E737-A739 PolarHBondContact O-N 3.47Å
738P30.6Very low31.5Very low135 Ų13599.7 Ų99.788%0.87757%0.565SS**  trans-86.490.9170.332.6-28000109.7
739A29.5Very low31.3Very low58 Ų5895.9 Ų95.948%0.47956%0.563SS.*  trans-151.4114.5172.400000113.8E737E737-A739 PolarHBondContact O-N 3.47Å
740S27.6Very low31Very low88 Ų8898.3 Ų98.362%0.61557%0.572SS**  trans32.2124.6152.662.20000119.9S742 I743S740-S742 PolarHBondContact O-N 2.79Å; S740-I743 PolarHBondContact O-N 3.17Å; S740-I743 VanDerWaalsContact O-N 3.15Å
741E27.6Very low30.8Very low182 Ų18297 Ų9785%0.8557%0.572SS**THydrogen-bonded Turntrans-36.7-18.9177.8-69.1174.2143.900118.3
742S27.2Very low30.3Very low91 Ų91100.4 Ų100.464%0.63660%0.598SS**Hα-helixtrans-76.1-25.2-179.8-170.90000113.9S740 T746S740-S742 PolarHBondContact O-N 2.79Å; S742-T746 PolarHBondContact O-OG1 2.98Å
743I27.9Very low30.1Very low84 Ų84106.7 Ų106.743%0.43162%0.619SS.*Hα-helixtrans-80.7-25.5179.2-65.4178.4000111.5S740 L745 T746 S747S740-I743 PolarHBondContact O-N 3.17Å; S740-I743 VanDerWaalsContact O-N 3.15Å; I743-L745 VanDerWaalsContact C-N 3.29Å; I743-L745 PolarHBondContact O-N 3.31Å; I743-T746 PolarHBondContact O-N 3.13Å; I743-T746 VanDerWaalsContact O-N 3.17Å; I743-S747 WeakPolarHBondContact CG2-OG 3.09Å; I743-S747 WeakPolarHBondContact O-CB 3.16Å; I743-S747 PolarHBondContact O-N 3.45Å; I743-S747 PolarHBondContact O-OG 3.03Å
744V30Very low29.7Very low96 Ų96109.4 Ų109.458%0.58262%0.618SS**Hα-helixtrans-59.4-38.8179.2-179.30000111.8L748V744-L748 HydrophobicContact CG1-CD1 4.03Å; V744-L748 VanDerWaalsContact O-CB 3.28Å; V744-L748 WeakPolarHBondContact O-CB 3.2Å; V744-L748 VanDerWaalsContact O-CD1 3.25Å; V744-L748 WeakPolarHBondContact O-CD1 3.42Å; V744-L748 WeakPolarHBondContact O-CG 3.39Å; V744-L748 PolarHBondContact O-N 3.34Å
745L27.8Very low29.5Very low118 Ų118107.8 Ų107.862%0.61861%0.611SS**Hα-helixtrans-77-33178.8-82163.7000113.4I743 A749I743-L745 VanDerWaalsContact C-N 3.29Å; I743-L745 PolarHBondContact O-N 3.31Å; L745-A749 PolarHBondContact O-N 2.81Å
746T28.6Very low29.4Very low79 Ų79105.4 Ų105.449%0.48561%0.605SS.*Hα-helixtrans-81.2-39.4-177.3-42.30000111S742 I743 L748 A749 E750S742-T746 PolarHBondContact O-OG1 2.98Å; I743-T746 PolarHBondContact O-N 3.13Å; I743-T746 VanDerWaalsContact O-N 3.17Å; T746-L748 VanDerWaalsContact C-N 3.31Å; T746-L748 PolarHBondContact O-N 3.14Å; T746-A749 PolarHBondContact O-N 3.36Å; T746-A749 VanDerWaalsContact O-N 3.17Å; T746-E750 PolarHBondContact O-N 3.27Å
747S27.7Very low28.9Very low66 Ų66103 Ų10346%0.46260%0.6SS.*Hα-helixtrans-72-21.9173.2-58.10000113.1I743 G751I743-S747 WeakPolarHBondContact CG2-OG 3.09Å; I743-S747 WeakPolarHBondContact O-CB 3.16Å; I743-S747 PolarHBondContact O-N 3.45Å; I743-S747 PolarHBondContact O-OG 3.03Å; S747-G751 WeakPolarHBondContact O-CA 3.18Å; S747-G751 PolarHBondContact O-N 3.13Å
748L26.6Very low28.8Very low89 Ų8998.3 Ų98.347%0.46658%0.579SS.*Hα-helixtrans-71.8-32.5168.7-81.4168.7000112.2V744 T746 C752V744-L748 HydrophobicContact CG1-CD1 4.03Å; V744-L748 VanDerWaalsContact O-CB 3.28Å; V744-L748 WeakPolarHBondContact O-CB 3.2Å; V744-L748 VanDerWaalsContact O-CD1 3.25Å; V744-L748 WeakPolarHBondContact O-CD1 3.42Å; V744-L748 WeakPolarHBondContact O-CG 3.39Å; V744-L748 PolarHBondContact O-N 3.34Å; T746-L748 VanDerWaalsContact C-N 3.31Å; T746-L748 PolarHBondContact O-N 3.14Å; L748-C752 PolarHBondContact O-N 3.46Å; L748-C752 PolarHBondContact O-SG 3.39Å
749A28.6Very low29Very low73 Ų7396 Ų9660%0.60357%0.566SS**Hα-helixtrans-79.9-35.4179.100000112.4L745 T746L745-A749 PolarHBondContact O-N 2.81Å; T746-A749 PolarHBondContact O-N 3.36Å; T746-A749 VanDerWaalsContact O-N 3.17Å
750E27.7Very low29.3Very low150 Ų150101 Ų10170%0.70158%0.578SS**Hα-helixtrans-84.8-34.2176-69.5-175.5158.100112.2T746 C752 K753T746-E750 PolarHBondContact O-N 3.27Å; E750-C752 VanDerWaalsContact C-N 3.26Å; E750-C752 PolarHBondContact O-N 3.49Å; E750-K753 PolarHBondContact O-N 2.83Å; E750-K753 VanDerWaalsContact O-N 3.13Å
751G29.4Very low30Very low30 Ų30103.3 Ų103.331%0.30958%0.583SS.*Hα-helixtrans-67.1-21174.100000114S747 K753 E754 A755S747-G751 WeakPolarHBondContact O-CA 3.18Å; S747-G751 PolarHBondContact O-N 3.13Å; G751-K753 PolarHBondContact O-N 2.86Å; G751-K753 VanDerWaalsContact O-N 3.11Å; G751-E754 PolarHBondContact O-N 3.39Å; G751-E754 VanDerWaalsContact O-N 3.1Å; G751-A755 WeakPolarHBondContact O-CB 3.42Å; G751-A755 PolarHBondContact O-N 3.13Å
752C27.1Very low30.7Very low104 Ų104101.1 Ų101.170%0.70358%0.581SS**THydrogen-bonded Turntrans-65.1-9.4171.4-80.80000114L748 E750L748-C752 PolarHBondContact O-N 3.46Å; L748-C752 PolarHBondContact O-SG 3.39Å; E750-C752 VanDerWaalsContact C-N 3.26Å; E750-C752 PolarHBondContact O-N 3.49Å
753K28Very low32Very low197 Ų197102.1 Ų102.186%0.85758%0.579SS**THydrogen-bonded Turntrans-94.8-13.2171.4-82.5-174176.3176.70114.6E750 G751E750-K753 PolarHBondContact O-N 2.83Å; E750-K753 VanDerWaalsContact O-N 3.13Å; G751-K753 PolarHBondContact O-N 2.86Å; G751-K753 VanDerWaalsContact O-N 3.11Å
754E29.3Very low33.8Very low136 Ų136105.2 Ų105.264%0.63659%0.591SS**THydrogen-bonded Turntrans-132.5-0.6-178.6-73.1-172.3154.300114.9G751 N756G751-E754 PolarHBondContact O-N 3.39Å; G751-E754 VanDerWaalsContact O-N 3.1Å; E754-N756 PolarHBondContact O-N 3.24Å
755A29.4Very low35.9Very low61 Ų61105.9 Ų105.950%0.50459%0.592SS.*SBendtrans-83.6109.5173.500000110.7G751 A757G751-A755 WeakPolarHBondContact O-CB 3.42Å; G751-A755 PolarHBondContact O-N 3.13Å; A755-A757 PolarHBondContact O-N 3.03Å
756N33.1Very low38.1Very low94 Ų94101.9 Ų101.950%0.50357%0.571SS.*  trans-41.389172.3-77.5-35.7000113V726 E754 M758V726-N756 HydrophobicContact CG2-CB 4.32Å; E754-N756 PolarHBondContact O-N 3.24Å; N756-M758 PolarHBondContact O-N 3.42Å
757A29.8Very low40.2Very low58 Ų58102.1 Ų102.148%0.47958%0.576SS.*  trans-48.4124.6140.200000106.3A755 S759A755-A757 PolarHBondContact O-N 3.03Å; A757-S759 VanDerWaalsContact C-N 3.33Å; A757-S759 PolarHBondContact O-N 2.88Å; A757-S759 PolarHBondContact O-OG 3.01Å
758M30.4Very low42.3Very low75 Ų75107.9 Ų107.937%0.36959%0.593SS.*  trans-46.4106.7166.9-100.4-83.2-88.700108I722 A723 V726 N756I722-M758 WeakPolarHBondContact O-CE 3.36Å; A723-M758 HydrophobicContact CB-CB 4.26Å; A723-M758 HydrophobicContact CB-CE 4.27Å; A723-M758 HydrophobicContact CB-CG 2.99Å; A723-M758 HydrophobicContact CB-SD 3.79Å; V726-M758 HydrophobicContact CG2-CG 3.87Å; N756-M758 PolarHBondContact O-N 3.42Å
759S36.1Very low44.6Very low87 Ų87107.1 Ų107.161%0.60859%0.592SS**  trans-88.5111.1178.2-59.90000103.9A757 L761A757-S759 VanDerWaalsContact C-N 3.33Å; A757-S759 PolarHBondContact O-N 2.88Å; A757-S759 PolarHBondContact O-OG 3.01Å; S759-L761 PolarHBondContact O-N 3.46Å
760F35Very low47.1Very low162 Ų162104 Ų10471%0.71157%0.565SS**  trans-58.5109.3162.3-73.2-86.8000106.7F669 V762F669-F760 HydrophobicContact CE1-CZ 4.48Å; F760-V762 VanDerWaalsContact C-N 3.27Å; F760-V762 HydrophobicContact CB-CG2 4.48Å; F760-V762 PolarHBondContact O-N 2.86Å
761L42.6Very low49.4Very low138 Ų13897.9 Ų97.972%0.72354%0.543SS*.  trans-81.183.4174.7-157.278.8000107.3S759 L763S759-L761 PolarHBondContact O-N 3.46Å; L761-L763 VanDerWaalsContact C-N 3.35Å; L761-L763 HydrophobicContact CD2-CD1 3.98Å; L761-L763 HydrophobicContact CD2-CD2 3.72Å; L761-L763 HydrophobicContact CD2-CG 3.88Å; L761-L763 HydrophobicContact CG-CD2 3.84Å; L761-L763 HydrophobicContact CG-CG 4.02Å; L761-L763 PolarHBondContact O-N 2.81Å
762V41.7Very low51.6Low135 Ų13599.6 Ų99.682%0.81855%0.55SS**  trans-71.897.2171.2-177.40000107F760F760-V762 VanDerWaalsContact C-N 3.27Å; F760-V762 HydrophobicContact CB-CG2 4.48Å; F760-V762 PolarHBondContact O-N 2.86Å
763L55.2Low53.6Low112 Ų11295 Ų9559%0.58652%0.52SS*.  trans-86149.1174.6-65.4176.6000110.1L761 D765L761-L763 VanDerWaalsContact C-N 3.35Å; L761-L763 HydrophobicContact CD2-CD1 3.98Å; L761-L763 HydrophobicContact CD2-CD2 3.72Å; L761-L763 HydrophobicContact CD2-CG 3.88Å; L761-L763 HydrophobicContact CG-CD2 3.84Å; L761-L763 HydrophobicContact CG-CG 4.02Å; L761-L763 PolarHBondContact O-N 2.81Å; L763-D765 PolarHBondContact O-N 2.93Å
764Q65Low55.4Low149 Ų14989.4 Ų89.470%0.69650%0.499SS*.  trans-57.5133.9167171.8178.2-4.100109.4L766Q764-L766 HydrophobicContact CB-CD2 4.45Å; Q764-L766 VanDerWaalsContact CD-CD2 3.49Å; Q764-L766 HydrophobicContact CG-CD2 3.8Å; Q764-L766 HydrophobicContact CG-CG 4.27Å; Q764-L766 PolarHBondContact O-N 3.36Å
765D73.9Confident56.9Low110 Ų11087.7 Ų87.759%0.58849%0.493SS*.  trans-67.4103.2166.6178.112.2000109.3L763 S767L763-D765 PolarHBondContact O-N 2.93Å; D765-S767 VanDerWaalsContact CG-OG 3.29Å; D765-S767 WeakPolarHBondContact OD1-CB 3.31Å; D765-S767 PolarHBondContact OD1-N 2.81Å; D765-S767 PolarHBondContact OD1-OG 2.83Å; D765-S767 PolarHBondContact OD2-OG 3.44Å
766L74.5Confident58.2Low34 Ų3492.1 Ų92.118%0.17851%0.507CS..  trans-91.60.1177.5-65175.5000112.5Q764 K768 V769 A770 L884 A900Q764-L766 HydrophobicContact CB-CD2 4.45Å; Q764-L766 VanDerWaalsContact CD-CD2 3.49Å; Q764-L766 HydrophobicContact CG-CD2 3.8Å; Q764-L766 HydrophobicContact CG-CG 4.27Å; Q764-L766 PolarHBondContact O-N 3.36Å; L766-K768 PolarHBondContact O-N 2.92Å; L766-V769 HydrophobicContact CB-CG2 4.2Å; L766-V769 HydrophobicContact CD2-CG2 3.75Å; L766-V769 CarbonylContact O-C 3.25Å; L766-V769 WeakPolarHBondContact O-CG2 3.3Å; L766-V769 PolarHBondContact O-N 2.81Å; L766-A770 HydrophobicContact CB-CB 4.13Å; L766-A770 PolarHBondContact O-N 3.12Å; L766-L884 HydrophobicContact CB-CD1 4.36Å; L766-L884 HydrophobicContact CD1-CD1 4.16Å; L766-A900 HydrophobicContact CD1-CB 3.62Å
767S72.4Confident59.9Low85 Ų8593.2 Ų93.259%0.59451%0.513SS*.THydrogen-bonded Turntrans-57.4-26-173.964.60000114D765D765-S767 VanDerWaalsContact CG-OG 3.29Å; D765-S767 WeakPolarHBondContact OD1-CB 3.31Å; D765-S767 PolarHBondContact OD1-N 2.81Å; D765-S767 PolarHBondContact OD1-OG 2.83Å; D765-S767 PolarHBondContact OD2-OG 3.44Å
768K72.6Confident62Low187 Ų18791.1 Ų91.181%0.81350%0.497SS*.THydrogen-bonded Turntrans-81.8-18.4177.3-65-173.1-179.6178.30114.4L766L766-K768 PolarHBondContact O-N 2.92Å
769V75.6Confident64.5Low73 Ų7387.7 Ų87.744%0.44248%0.48SS..THydrogen-bonded Turntrans-125.7-11.7-171.6-64.80000113.4L766 K886 V887L766-V769 HydrophobicContact CB-CG2 4.2Å; L766-V769 HydrophobicContact CD2-CG2 3.75Å; L766-V769 CarbonylContact O-C 3.25Å; L766-V769 WeakPolarHBondContact O-CG2 3.3Å; L766-V769 PolarHBondContact O-N 2.81Å; V769-K886 CarbonylContact O-C 3.49Å; V769-K886 WeakPolarHBondContact O-CA 3.19Å; V769-V887 PolarHBondContact O-N 3.02Å
770A79.5Confident66.9Low6 Ų686.1 Ų86.15%0.0547%0.469CS..EExtended strand (participates in β ladder)trans-148.6150.3-177.700000112.4L766 L884 F885 A899L766-A770 HydrophobicContact CB-CB 4.13Å; L766-A770 PolarHBondContact O-N 3.12Å; A770-L884 HydrophobicContact CB-CB 4Å; A770-F885 CarbonylContact C-O 3.58Å; A770-F885 WeakPolarHBondContact CA-O 3.31Å; A770-F885 WeakPolarHBondContact CB-O 3.45Å; A770-A899 HydrophobicContact CB-CB 3.44Å; A770-A899 VanDerWaalsContact CB-CB 3.44Å
771G77.1Confident69.2Low23 Ų2381.8 Ų81.824%0.23745%0.451CS..EExtended strand (participates in β ladder)trans-143.5157175.900000111.1F885G771-F885 PolarHBondContact N-O 2.95Å; G771-F885 PolarHBondContact O-N 2.98Å
772S74.5Confident71.3Confident66 Ų6680.1 Ų80.146%0.46244%0.442SS..EExtended strand (participates in β ladder)trans-76.1156.4175.570.30000111.3
773A69.4Low73.6Confident7 Ų774.6 Ų74.66%0.05841%0.408CS..PPolyproline II helixtrans-73148.3170.500000110.8I775 L779 A880 F885A773-I775 PolarHBondContact O-N 3.1Å; A773-L779 HydrophobicContact CB-CD2 3.67Å; A773-A880 HydrophobicContact CB-CB 4.17Å; A773-F885 HydrophobicContact CB-CD2 3.95Å; A773-F885 HydrophobicContact CB-CE2 3.62Å
774D67.2Low75.3Confident79 Ų7969.3 Ų69.342%0.42238%0.38SS..PPolyproline II helixtrans-71116.9177.1-180-1.9000110.7I776 N777 G778D774-I776 PolarHBondContact O-N 2.94Å; D774-I776 WeakPolarHBondContact OD1-CB 3.26Å; D774-I776 PolarHBondContact OD1-N 3.31Å; D774-N777 HydrophobicContact CB-CB 4.29Å; D774-N777 PolarHBondContact O-N 3.28Å; D774-N777 PolarHBondContact OD2-ND2 2.79Å; D774-G778 PolarHBondContact O-N 2.77Å
775I59.7Low76.6Confident101 Ų10164.1 Ų64.152%0.51836%0.357SS..THydrogen-bonded Turntrans-59.8-34.4-179.7-56.5172.5000111.3A773A773-I775 PolarHBondContact O-N 3.1Å
776I57.1Low77.5Confident154 Ų15461.2 Ų61.279%0.7934%0.341SS*.THydrogen-bonded Turntrans-70.6-44.4-176.5-60.9-180000110.6D774D774-I776 PolarHBondContact O-N 2.94Å; D774-I776 WeakPolarHBondContact OD1-CB 3.26Å; D774-I776 PolarHBondContact OD1-N 3.31Å
777N68Low78.4Confident116 Ų11659.6 Ų59.662%0.6233%0.333SS*.THydrogen-bonded Turntrans-76.3-27.4179-75.1-46.2000112D774D774-N777 HydrophobicContact CB-CB 4.29Å; D774-N777 PolarHBondContact O-N 3.28Å; D774-N777 PolarHBondContact OD2-ND2 2.79Å
778G74.8Confident79.4Confident14 Ų1455.5 Ų55.514%0.14431%0.305CS..  trans75.9169.6-175.500000112.7D774 S923D774-G778 PolarHBondContact O-N 2.77Å; G778-S923 CarbonylContact C-O 3.52Å; G778-S923 VanDerWaalsContact CA-O 3.31Å; G778-S923 WeakPolarHBondContact CA-O 3.45Å
779L83.2Confident80.5Confident4 Ų448.8 Ų48.82%0.02128%0.276CS..  trans-66.5141176.1-64.6170.3000111A773 Q783 L784 A880 F885 L919 S923 V924 L928A773-L779 HydrophobicContact CB-CD2 3.67Å; L779-Q783 HydrophobicContact CB-CB 4.25Å; L779-Q783 HydrophobicContact CD2-CB 3.96Å; L779-L784 HydrophobicContact CB-CB 4.48Å; L779-A880 HydrophobicContact CD1-CB 4.35Å; L779-A880 HydrophobicContact CD2-CB 3.87Å; L779-A880 HydrophobicContact CG-CB 4.02Å; L779-F885 HydrophobicContact CD2-CE2 3.79Å; L779-F885 HydrophobicContact CD2-CZ 3.6Å; L779-L919 HydrophobicContact CD1-CD1 3.67Å; L779-L919 HydrophobicContact CD1-CG 4.17Å; L779-S923 WeakPolarHBondContact CG-O 2.97Å; L779-S923 PolarHBondContact N-O 3.41Å; L779-V924 HydrophobicContact CD1-CG2 4.38Å; L779-L928 VanDerWaalsContact O-CD2 3.25Å; L779-L928 WeakPolarHBondContact O-CD2 3.29Å
780S86Confident81.3Confident53 Ų5346.5 Ų46.537%0.37127%0.265SS..  trans-69.2164.716360.50000111.4D782 Q783 L784S780-D782 PolarHBondContact O-N 2.86Å; S780-Q783 PolarHBondContact O-N 3.18Å; S780-Q783 WeakPolarHBondContact OG-CB 3.31Å; S780-Q783 VanDerWaalsContact OG-CD 3.26Å; S780-Q783 WeakPolarHBondContact OG-CG 3.3Å; S780-Q783 PolarHBondContact OG-N 2.74Å; S780-Q783 PolarHBondContact OG-OE1 3.2Å; S780-L784 WeakPolarHBondContact O-CB 3.21Å; S780-L784 PolarHBondContact O-N 3.5Å
781E83.9Confident82.1Confident72 Ų7246.2 Ų46.234%0.33626%0.262SS..Hα-helixtrans-58.7-45.6177.9-175.7167.5-174.700112Q783 L784 L785 L928 K932E781-Q783 VanDerWaalsContact C-N 3.34Å; E781-Q783 PolarHBondContact O-N 2.99Å; E781-L784 WeakPolarHBondContact O-CB 3.42Å; E781-L784 PolarHBondContact O-N 2.8Å; E781-L785 HydrophobicContact CG-CD1 4.06Å; E781-L785 HydrophobicContact CG-CG 4.38Å; E781-L785 WeakPolarHBondContact O-CG 3.21Å; E781-L785 PolarHBondContact O-N 2.74Å; E781-L928 HydrophobicContact CB-CD1 4.08Å; E781-L928 HydrophobicContact CB-CD2 4.5Å; E781-L928 HydrophobicContact CG-CD1 4.42Å; E781-K932 IonicContact OE1-NZ 2.83Å; E781-K932 PolarHBondContact OE1-NZ 3.14Å; E781-K932 IonicContact OE2-NZ 3.6Å; E781-K932 PolarHBondContact OE2-NZ 2.94Å
782D87.1Confident82.9Confident102 Ų10245.1 Ų45.155%0.54525%0.251SS..Hα-helixtrans-63.1-40.8178.5-65.2-29.9000112.1S780 N786S780-D782 PolarHBondContact O-N 2.86Å; D782-N786 VanDerWaalsContact O-CB 3.3Å; D782-N786 WeakPolarHBondContact O-CB 3.26Å; D782-N786 PolarHBondContact O-N 3.01Å; D782-N786 PolarHBondContact O-ND2 3.29Å
783Q88.2Confident83.9Confident19 Ų1946.9 Ų46.99%0.08925%0.251CS..Hα-helixtrans-63.6-45.6174.8-73.8170.6-39.800111L779 S780 E781 N786 C787 F885 S895L779-Q783 HydrophobicContact CB-CB 4.25Å; L779-Q783 HydrophobicContact CD2-CB 3.96Å; S780-Q783 PolarHBondContact O-N 3.18Å; S780-Q783 WeakPolarHBondContact OG-CB 3.31Å; S780-Q783 VanDerWaalsContact OG-CD 3.26Å; S780-Q783 WeakPolarHBondContact OG-CG 3.3Å; S780-Q783 PolarHBondContact OG-N 2.74Å; S780-Q783 PolarHBondContact OG-OE1 3.2Å; E781-Q783 VanDerWaalsContact C-N 3.34Å; E781-Q783 PolarHBondContact O-N 2.99Å; Q783-N786 PolarHBondContact O-N 2.87Å; Q783-C787 WeakPolarHBondContact O-CB 3.37Å; Q783-C787 PolarHBondContact O-N 3.03Å; Q783-C787 PolarHBondContact O-SG 2.61Å; Q783-F885 HydrophobicContact CB-CE1 3.75Å; Q783-F885 HydrophobicContact CB-CZ 3.92Å; Q783-F885 HydrophobicContact CG-CD1 3.96Å; Q783-F885 HydrophobicContact CG-CE1 3.58Å; Q783-F885 HydrophobicContact CG-CZ 4.01Å; Q783-S895 PolarHBondContact NE2-O 3.05Å
784L91.9Very high84.9Confident1 Ų148.3 Ų48.31%0.00526%0.257CS..Hα-helixtrans-59.7-46.9177.4175.456.5000111.8L779 S780 E781 C787 V788 L919 V920 V924 L928 V936L779-L784 HydrophobicContact CB-CB 4.48Å; S780-L784 WeakPolarHBondContact O-CB 3.21Å; S780-L784 PolarHBondContact O-N 3.5Å; E781-L784 WeakPolarHBondContact O-CB 3.42Å; E781-L784 PolarHBondContact O-N 2.8Å; L784-C787 WeakPolarHBondContact O-CB 3.5Å; L784-C787 PolarHBondContact O-N 2.95Å; L784-V788 HydrophobicContact CD1-CG2 4.1Å; L784-V788 WeakPolarHBondContact O-CB 3.42Å; L784-V788 WeakPolarHBondContact O-CG2 3.25Å; L784-V788 PolarHBondContact O-N 3.16Å; L784-L919 HydrophobicContact CD1-CD2 3.6Å; L784-L919 HydrophobicContact CD1-CG 4.23Å; L784-V920 HydrophobicContact CD1-CG2 4.22Å; L784-V924 HydrophobicContact CD1-CG2 3.61Å; L784-V924 HydrophobicContact CD2-CG1 4.01Å; L784-V924 HydrophobicContact CD2-CG2 3.83Å; L784-V924 HydrophobicContact CG-CG2 4.24Å; L784-L928 HydrophobicContact CD2-CD2 4.04Å; L784-L928 HydrophobicContact CD2-CG 4.14Å; L784-V936 HydrophobicContact CD2-CG2 3.74Å; L784-V936 HydrophobicContact CG-CG2 4.07Å
785L92Very high86.2Confident40 Ų4044.6 Ų44.621%0.20924%0.237CC..Hα-helixtrans-63.4-42.7177.3-69.9174.5000111.4E781 C787 V788 E789 V936 H939E781-L785 HydrophobicContact CG-CD1 4.06Å; E781-L785 HydrophobicContact CG-CG 4.38Å; E781-L785 WeakPolarHBondContact O-CG 3.21Å; E781-L785 PolarHBondContact O-N 2.74Å; L785-C787 VanDerWaalsContact C-N 3.35Å; L785-C787 PolarHBondContact O-N 3.34Å; L785-V788 PolarHBondContact O-N 3.33Å; L785-E789 WeakPolarHBondContact O-CG 3.04Å; L785-E789 PolarHBondContact O-N 3.12Å; L785-V936 HydrophobicContact CD2-CG2 4.4Å; L785-H939 HydrophobicContact CD2-CB 4.1Å
786N92.5Very high87.8Confident49 Ų4939.8 Ų39.826%0.26221%0.213SC..Hα-helixtrans-64.5-37.1175.8-74.6-25.6000112.6D782 Q783 E789 A790 S896 I898D782-N786 VanDerWaalsContact O-CB 3.3Å; D782-N786 WeakPolarHBondContact O-CB 3.26Å; D782-N786 PolarHBondContact O-N 3.01Å; D782-N786 PolarHBondContact O-ND2 3.29Å; Q783-N786 PolarHBondContact O-N 2.87Å; N786-E789 PolarHBondContact O-N 3.01Å; N786-A790 WeakPolarHBondContact O-CB 3.31Å; N786-A790 PolarHBondContact O-N 3.42Å; N786-S896 PolarHBondContact ND2-O 3.47Å; N786-I898 HydrophobicContact CB-CD1 4.3Å; N786-I898 WeakPolarHBondContact O-CD1 3.42Å
787C93.2Very high89.5Confident0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-63.4-45.7172.4-66.70000110.9Q783 L784 L785 E789 A790 I791 Y878 I883 I898 L919Q783-C787 WeakPolarHBondContact O-CB 3.37Å; Q783-C787 PolarHBondContact O-N 3.03Å; Q783-C787 PolarHBondContact O-SG 2.61Å; L784-C787 WeakPolarHBondContact O-CB 3.5Å; L784-C787 PolarHBondContact O-N 2.95Å; L785-C787 VanDerWaalsContact C-N 3.35Å; L785-C787 PolarHBondContact O-N 3.34Å; C787-E789 VanDerWaalsContact C-N 3.33Å; C787-E789 PolarHBondContact O-N 3.41Å; C787-A790 PolarHBondContact O-N 3.38Å; C787-A790 VanDerWaalsContact O-N 3.16Å; C787-I791 PolarHBondContact O-N 3.36Å; C787-Y878 WeakPolarHBondContact CA-OH 3.39Å; C787-Y878 HydrophobicContact CB-CE1 4.21Å; C787-Y878 PolarHBondContact O-OH 2.98Å; C787-I883 HydrophobicContact CB-CD1 4.23Å; C787-I883 VanDerWaalsContact SG-CD1 3.51Å; C787-I898 HydrophobicContact CB-CD1 4.45Å; C787-L919 HydrophobicContact CB-CD1 4.45Å; C787-L919 HydrophobicContact CB-CD2 3.65Å
788V94.3Very high90.6Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-63.8-38.8178.5172.30000111.4L784 L785 I791 A792 I916 L919 V936 Y940L784-V788 HydrophobicContact CD1-CG2 4.1Å; L784-V788 WeakPolarHBondContact O-CB 3.42Å; L784-V788 WeakPolarHBondContact O-CG2 3.25Å; L784-V788 PolarHBondContact O-N 3.16Å; L785-V788 PolarHBondContact O-N 3.33Å; V788-I791 WeakPolarHBondContact O-CG2 3.42Å; V788-A792 VanDerWaalsContact O-CB 3.25Å; V788-A792 WeakPolarHBondContact O-CB 3.42Å; V788-A792 PolarHBondContact O-N 2.87Å; V788-I916 HydrophobicContact CG1-CD1 4.46Å; V788-L919 HydrophobicContact CG2-CD2 4.37Å; V788-V936 HydrophobicContact CB-CG1 4.44Å; V788-V936 HydrophobicContact CG1-CG1 4.32Å; V788-V936 HydrophobicContact CG2-CG1 3.48Å; V788-V936 VanDerWaalsContact CG2-CG1 3.48Å; V788-Y940 HydrophobicContact CG1-CD2 4.28Å; V788-Y940 HydrophobicContact CG1-CG 4.48Å
789E94.4Very high91.3Very high45 Ų4532.9 Ų32.921%0.2117%0.167CC..Hα-helixtrans-65.3-41.9172.2-75-169.6-167.400112.8L785 N786 C787 A792 K793 H939 Q943L785-E789 WeakPolarHBondContact O-CG 3.04Å; L785-E789 PolarHBondContact O-N 3.12Å; N786-E789 PolarHBondContact O-N 3.01Å; C787-E789 VanDerWaalsContact C-N 3.33Å; C787-E789 PolarHBondContact O-N 3.41Å; E789-A792 PolarHBondContact O-N 3.18Å; E789-K793 WeakPolarHBondContact O-CB 3.26Å; E789-K793 WeakPolarHBondContact O-CD 3.43Å; E789-K793 VanDerWaalsContact O-CG 3.26Å; E789-K793 WeakPolarHBondContact O-CG 3.27Å; E789-K793 PolarHBondContact O-N 3.45Å; E789-K793 IonicContact OE2-NZ 2.84Å; E789-K793 PolarHBondContact OE2-NZ 2.76Å; E789-H939 VanDerWaalsContact CG-NE2 3.25Å; E789-H939 WeakPolarHBondContact CG-NE2 3.47Å; E789-H939 IonicContact OE1-CE1 3.17Å; E789-H939 PolarHBondContact OE1-CE1 3.06Å; E789-H939 IonicContact OE1-NE2 3.05Å; E789-H939 PolarHBondContact OE1-NE2 3.43Å; E789-Q943 HydrophobicContact CG-CG 4.04Å
790A94.2Very high91.6Very high25 Ų2537.7 Ų37.721%0.20719%0.191CC..Hα-helixtrans-63.8-44.118000000111.3N786 C787 K793 L794 I898 I901N786-A790 WeakPolarHBondContact O-CB 3.31Å; N786-A790 PolarHBondContact O-N 3.42Å; C787-A790 PolarHBondContact O-N 3.38Å; C787-A790 VanDerWaalsContact O-N 3.16Å; A790-K793 PolarHBondContact O-N 3.18Å; A790-L794 PolarHBondContact O-N 3.04Å; A790-L794 VanDerWaalsContact O-N 3.11Å; A790-I898 HydrophobicContact CB-CD1 3.75Å; A790-I901 HydrophobicContact CB-CD1 4.04Å
791I94.7Very high91.6Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-71.1-36.5177.6-155.770000112C787 V788 K793 L794 Q795 H875 Y878 D915 I916C787-I791 PolarHBondContact O-N 3.36Å; V788-I791 WeakPolarHBondContact O-CG2 3.42Å; I791-K793 VanDerWaalsContact C-N 3.3Å; I791-K793 PolarHBondContact O-N 2.96Å; I791-L794 HydrophobicContact CD1-CD2 3.77Å; I791-L794 PolarHBondContact O-N 3.03Å; I791-Q795 HydrophobicContact CG1-CG 4.35Å; I791-Q795 WeakPolarHBondContact O-CB 3.41Å; I791-Q795 VanDerWaalsContact O-CG 3.3Å; I791-Q795 WeakPolarHBondContact O-CG 3.31Å; I791-Q795 PolarHBondContact O-N 3.04Å; I791-H875 HydrophobicContact CD1-CB 4.24Å; I791-Y878 HydrophobicContact CB-CD1 4.42Å; I791-Y878 HydrophobicContact CB-CE1 3.8Å; I791-Y878 HydrophobicContact CD1-CD1 4.38Å; I791-Y878 HydrophobicContact CD1-CD2 4.09Å; I791-Y878 HydrophobicContact CD1-CE1 4.32Å; I791-Y878 HydrophobicContact CD1-CE2 4.05Å; I791-Y878 HydrophobicContact CD1-CG 4.28Å; I791-Y878 HydrophobicContact CG1-CD1 4.37Å; I791-Y878 HydrophobicContact CG1-CE1 4.21Å; I791-Y878 HydrophobicContact CG2-CE1 4.16Å; I791-D915 HydrophobicContact CD1-CB 4.19Å; I791-D915 WeakPolarHBondContact CD1-OD2 3.4Å; I791-D915 HydrophobicContact CG1-CB 3.85Å; I791-I916 HydrophobicContact CG2-CD1 4.25Å; I791-I916 HydrophobicContact CG2-CG1 4.01Å
792A94.4Very high91.5Very high0 Ų043.5 Ų43.50%021%0.212CC..Hα-helixtrans-59.9-41172.600000111.7V788 E789 Q795 A796 Y940 Q943 M944V788-A792 VanDerWaalsContact O-CB 3.25Å; V788-A792 WeakPolarHBondContact O-CB 3.42Å; V788-A792 PolarHBondContact O-N 2.87Å; E789-A792 PolarHBondContact O-N 3.18Å; A792-Q795 PolarHBondContact O-N 3.34Å; A792-A796 WeakPolarHBondContact O-CB 3.39Å; A792-A796 PolarHBondContact O-N 3.07Å; A792-Y940 HydrophobicContact CB-CD2 3.76Å; A792-Y940 HydrophobicContact CB-CE2 3.84Å; A792-Q943 HydrophobicContact CB-CB 3.79Å; A792-M944 HydrophobicContact CB-CG 4.43Å; A792-M944 HydrophobicContact CB-SD 4.17Å; A792-M944 VanDerWaalsContact O-SD 3.39Å
793K94.8Very high91Very high104 Ų10447.8 Ų47.845%0.45222%0.22SC..Hα-helixtrans-63.6-41.1175.6-74.1165.1-172.8159.30112.2E789 A790 I791 W797 L947E789-K793 WeakPolarHBondContact O-CB 3.26Å; E789-K793 WeakPolarHBondContact O-CD 3.43Å; E789-K793 VanDerWaalsContact O-CG 3.26Å; E789-K793 WeakPolarHBondContact O-CG 3.27Å; E789-K793 PolarHBondContact O-N 3.45Å; E789-K793 IonicContact OE2-NZ 2.84Å; E789-K793 PolarHBondContact OE2-NZ 2.76Å; A790-K793 PolarHBondContact O-N 3.18Å; I791-K793 VanDerWaalsContact C-N 3.3Å; I791-K793 PolarHBondContact O-N 2.96Å; K793-W797 WeakPolarHBondContact O-CB 3.11Å; K793-W797 PolarHBondContact O-N 3.01Å; K793-L947 HydrophobicContact CB-CD1 4.48Å; K793-L947 HydrophobicContact CG-CD1 3.86Å
794L92.4Very high90.5Very high37 Ų3751.4 Ų51.419%0.19424%0.24CC..Hα-helixtrans-64.5-50.3175.6-179.881.1000111.7A790 I791 A796 W797 S798 L873 W904A790-L794 PolarHBondContact O-N 3.04Å; A790-L794 VanDerWaalsContact O-N 3.11Å; I791-L794 HydrophobicContact CD1-CD2 3.77Å; I791-L794 PolarHBondContact O-N 3.03Å; L794-A796 VanDerWaalsContact C-N 3.34Å; L794-A796 PolarHBondContact O-N 2.85Å; L794-W797 CarbonylContact O-C 3.51Å; L794-W797 WeakPolarHBondContact O-CA 3.43Å; L794-W797 WeakPolarHBondContact O-CB 3.23Å; L794-W797 PolarHBondContact O-N 3.36Å; L794-W797 VanDerWaalsContact O-N 3.13Å; L794-S798 PolarHBondContact O-N 2.82Å; L794-L873 HydrophobicContact CD1-CD2 4.38Å; L794-W904 HydrophobicContact CD1-CH2 3.86Å; L794-W904 HydrophobicContact CD1-CZ3 4.2Å; L794-W904 HydrophobicContact CD2-CH2 3.57Å; L794-W904 HydrophobicContact CD2-CZ3 3.54Å; L794-W904 HydrophobicContact CG-CH2 4.3Å; L794-W904 HydrophobicContact CG-CZ3 4.5Å
795Q93.9Very high89.9Confident0 Ų052.1 Ų52.10%024%0.243CC..Hα-helixtrans-67.4-36.3-177.9-68.4174.6-13.900111.4I791 A792 S798 L799 V872 F912 Y940 M944I791-Q795 HydrophobicContact CG1-CG 4.35Å; I791-Q795 WeakPolarHBondContact O-CB 3.41Å; I791-Q795 VanDerWaalsContact O-CG 3.3Å; I791-Q795 WeakPolarHBondContact O-CG 3.31Å; I791-Q795 PolarHBondContact O-N 3.04Å; A792-Q795 PolarHBondContact O-N 3.34Å; Q795-S798 PolarHBondContact O-N 3.44Å; Q795-S798 PolarHBondContact O-OG 2.73Å; Q795-L799 WeakPolarHBondContact O-CG 3.49Å; Q795-L799 PolarHBondContact O-N 2.84Å; Q795-V872 HydrophobicContact CB-CB 3.99Å; Q795-V872 HydrophobicContact CB-CG1 4.14Å; Q795-V872 HydrophobicContact CB-CG2 4.14Å; Q795-V872 HydrophobicContact CG-CB 4.01Å; Q795-V872 HydrophobicContact CG-CG2 3.7Å; Q795-F912 PolarHBondContact NE2-O 2.94Å; Q795-Y940 PolarHBondContact OE1-OH 3.17Å; Q795-M944 HydrophobicContact CB-CE 4.33Å; Q795-M944 HydrophobicContact CB-SD 4.43Å
796A92.7Very high88.9Confident1 Ų153.5 Ų53.51%0.00825%0.25CS..Hα-helixtrans-64-41.5170.300000111.9A792 L794 S798 L799 I800 M944 L947 V948A792-A796 WeakPolarHBondContact O-CB 3.39Å; A792-A796 PolarHBondContact O-N 3.07Å; L794-A796 VanDerWaalsContact C-N 3.34Å; L794-A796 PolarHBondContact O-N 2.85Å; A796-S798 VanDerWaalsContact C-N 3.34Å; A796-S798 PolarHBondContact O-N 3.44Å; A796-L799 PolarHBondContact O-N 2.85Å; A796-I800 WeakPolarHBondContact O-CG1 3.23Å; A796-I800 PolarHBondContact O-N 3.06Å; A796-M944 HydrophobicContact CB-CE 4.49Å; A796-M944 HydrophobicContact CB-SD 4.04Å; A796-L947 HydrophobicContact CB-CB 3.48Å; A796-L947 VanDerWaalsContact CB-CB 3.48Å; A796-L947 HydrophobicContact CB-CD1 3.8Å; A796-L947 HydrophobicContact CB-CG 4.24Å; A796-V948 HydrophobicContact CB-CG1 3.96Å; A796-V948 HydrophobicContact CB-CG2 4.37Å
797W92.9Very high88Confident100 Ų10053.8 Ų53.838%0.37926%0.256SS..Hα-helixtrans-59.1-43.8173.4171.187.1000111.4K793 L794 L799 I800 T801 R803 W805 L873K793-W797 WeakPolarHBondContact O-CB 3.11Å; K793-W797 PolarHBondContact O-N 3.01Å; L794-W797 CarbonylContact O-C 3.51Å; L794-W797 WeakPolarHBondContact O-CA 3.43Å; L794-W797 WeakPolarHBondContact O-CB 3.23Å; L794-W797 PolarHBondContact O-N 3.36Å; L794-W797 VanDerWaalsContact O-N 3.13Å; W797-L799 PolarHBondContact O-N 2.87Å; W797-I800 PolarHBondContact O-N 3.36Å; W797-T801 HydrophobicContact CD2-CG2 4.1Å; W797-T801 HydrophobicContact CE3-CG2 4.25Å; W797-T801 HydrophobicContact CH2-CG2 4.12Å; W797-T801 HydrophobicContact CZ2-CG2 3.97Å; W797-T801 WeakPolarHBondContact CZ2-OG1 3.32Å; W797-T801 HydrophobicContact CZ3-CG2 4.25Å; W797-T801 WeakPolarHBondContact O-CB 3.48Å; W797-T801 WeakPolarHBondContact O-CG2 3.02Å; W797-T801 PolarHBondContact O-N 3.13Å; W797-R803 HydrophobicContact CZ2-CB 4.29Å; W797-R803 HydrophobicContact CZ2-CG 4.43Å; W797-W805 HydrophobicContact CH2-CB 4.49Å; W797-W805 HydrophobicContact CZ3-CB 4.42Å; W797-L873 HydrophobicContact CZ3-CD2 4.07Å
798S91.8Very high86.9Confident5 Ų559.5 Ų59.54%0.03528%0.281CS..Hα-helixtrans-62.6-30.7178.971.40000112.4L794 Q795 A796 W805 L873L794-S798 PolarHBondContact O-N 2.82Å; Q795-S798 PolarHBondContact O-N 3.44Å; Q795-S798 PolarHBondContact O-OG 2.73Å; A796-S798 VanDerWaalsContact C-N 3.34Å; A796-S798 PolarHBondContact O-N 3.44Å; S798-W805 PolarHBondContact O-NE1 2.87Å; S798-L873 PolarHBondContact OG-N 3.12Å; S798-L873 VanDerWaalsContact OG-N 3.13Å
799L89.2Confident85.8Confident34 Ų3459.5 Ų59.518%0.17828%0.281CS..Hα-helixtrans-77.1-26.5177.5-69.5173.2000114.7Q795 A796 W797 P870 V872 M944 V948 I951Q795-L799 WeakPolarHBondContact O-CG 3.49Å; Q795-L799 PolarHBondContact O-N 2.84Å; A796-L799 PolarHBondContact O-N 2.85Å; W797-L799 PolarHBondContact O-N 2.87Å; L799-P870 HydrophobicContact CD2-CB 3.94Å; L799-P870 HydrophobicContact CD2-CG 4.18Å; L799-V872 HydrophobicContact CD1-CG1 4.05Å; L799-V872 HydrophobicContact CD2-CG1 3.93Å; L799-V872 HydrophobicContact CG-CG1 3.88Å; L799-M944 HydrophobicContact CD1-CE 3.71Å; L799-V948 HydrophobicContact CB-CG1 4.19Å; L799-V948 HydrophobicContact CD1-CG2 4.17Å; L799-I951 HydrophobicContact CB-CD1 3.68Å; L799-I951 HydrophobicContact CD1-CD1 4.34Å; L799-I951 HydrophobicContact CD1-CG2 4.41Å; L799-I951 HydrophobicContact CD2-CD1 4.44Å; L799-I951 HydrophobicContact CG-CD1 4.38Å
800I88.7Confident84.3Confident105 Ų10561.3 Ų61.354%0.53830%0.297SS..Hα-helixtrans-109.5-18.5-175.966.5-173.7000114.2A796 W797 V948A796-I800 WeakPolarHBondContact O-CG1 3.23Å; A796-I800 PolarHBondContact O-N 3.06Å; W797-I800 PolarHBondContact O-N 3.36Å; I800-V948 HydrophobicContact CG2-CG1 3.32Å
801T87.1Confident82.7Confident32 Ų3261.7 Ų61.720%0.19630%0.303CS..  trans-66.5141.7-176.3-171.10000110.2W797 R803W797-T801 HydrophobicContact CD2-CG2 4.1Å; W797-T801 HydrophobicContact CE3-CG2 4.25Å; W797-T801 HydrophobicContact CH2-CG2 4.12Å; W797-T801 HydrophobicContact CZ2-CG2 3.97Å; W797-T801 WeakPolarHBondContact CZ2-OG1 3.32Å; W797-T801 HydrophobicContact CZ3-CG2 4.25Å; W797-T801 WeakPolarHBondContact O-CB 3.48Å; W797-T801 WeakPolarHBondContact O-CG2 3.02Å; W797-T801 PolarHBondContact O-N 3.13Å; T801-R803 HydrophobicContact CG2-CB 4.24Å; T801-R803 WeakPolarHBondContact OG1-CB 3.45Å; T801-R803 PolarHBondContact OG1-N 3.47Å
802K81.1Confident80.7Confident215 Ų21568.4 Ų68.494%0.93534%0.335SS*.SBendtrans-83.4-3.7169.8-62.4-173.2-179.8-176.20112.3
803R76Confident78.6Confident191 Ų19174 Ų7472%0.72136%0.357SS*.SBendtrans-72.9125.5174.9-71.4-97.5-178.6165.5-0.2107.5W797 T801 W805W797-R803 HydrophobicContact CZ2-CB 4.29Å; W797-R803 HydrophobicContact CZ2-CG 4.43Å; T801-R803 HydrophobicContact CG2-CB 4.24Å; T801-R803 WeakPolarHBondContact OG1-CB 3.45Å; T801-R803 PolarHBondContact OG1-N 3.47Å; R803-W805 VanDerWaalsContact C-N 3.29Å; R803-W805 PolarHBondContact O-N 3.27Å
804D78.9Confident76.4Confident96 Ų9670.8 Ų70.851%0.51335%0.347SS..  trans-71.288.9172.8-171.57.4000109N806 S807D804-N806 VanDerWaalsContact C-N 3.35Å; D804-N806 PolarHBondContact OD1-N 3.15Å; D804-S807 PolarHBondContact O-OG 3.42Å; D804-S807 PolarHBondContact OD1-N 2.6Å
805W79.4Confident74.5Confident15 Ų1570.8 Ų70.86%0.05735%0.349CS..  trans-82-21177.559-91.8000112.2W797 S798 R803 S807 F808 A809 V872 L873 Q909W797-W805 HydrophobicContact CH2-CB 4.49Å; W797-W805 HydrophobicContact CZ3-CB 4.42Å; S798-W805 PolarHBondContact O-NE1 2.87Å; R803-W805 VanDerWaalsContact C-N 3.29Å; R803-W805 PolarHBondContact O-N 3.27Å; W805-S807 PolarHBondContact O-N 3.05Å; W805-F808 HydrophobicContact CB-CE1 3.67Å; W805-F808 HydrophobicContact CB-CE2 4.14Å; W805-F808 HydrophobicContact CB-CZ 3.43Å; W805-F808 VanDerWaalsContact CB-CZ 3.43Å; W805-F808 PolarHBondContact O-N 2.91Å; W805-F808 VanDerWaalsContact O-N 3.14Å; W805-A809 HydrophobicContact CE3-CB 4.2Å; W805-A809 PolarHBondContact O-N 3.1Å; W805-V872 WeakPolarHBondContact CH2-O 3.35Å; W805-L873 HydrophobicContact CD2-CB 4.09Å; W805-L873 HydrophobicContact CE3-CB 3.73Å; W805-L873 HydrophobicContact CE3-CD1 3.84Å; W805-L873 HydrophobicContact CE3-CG 4.31Å; W805-L873 HydrophobicContact CH2-CB 4.42Å; W805-L873 VanDerWaalsContact CH2-N 3.34Å; W805-L873 HydrophobicContact CZ3-CB 3.9Å; W805-L873 HydrophobicContact CZ3-CD1 4.27Å; W805-Q909 HydrophobicContact CH2-CB 4.25Å; W805-Q909 HydrophobicContact CH2-CG 4.07Å; W805-Q909 HydrophobicContact CZ3-CB 3.84Å; W805-Q909 HydrophobicContact CZ3-CG 4.18Å
806N71.4Confident72.7Confident69 Ų6974.6 Ų74.637%0.36937%0.37SS..THydrogen-bonded Turntrans-60.9-27.7174-62.5-29000111.1D804 F808D804-N806 VanDerWaalsContact C-N 3.35Å; D804-N806 PolarHBondContact OD1-N 3.15Å; N806-F808 VanDerWaalsContact C-N 3.26Å; N806-F808 PolarHBondContact O-N 2.85Å
807S73.1Confident71Confident56 Ų5681.2 Ų81.239%0.39240%0.398SS..THydrogen-bonded Turntrans-64.7-26.1177.273.90000113.8D804 W805D804-S807 PolarHBondContact O-OG 3.42Å; D804-S807 PolarHBondContact OD1-N 2.6Å; W805-S807 PolarHBondContact O-N 3.05Å
808F69.4Low69.1Low120 Ų12078.9 Ų78.953%0.52639%0.393SS..THydrogen-bonded Turntrans-113.3-12.4179.564.9-106.7000115W805 N806 L873W805-F808 HydrophobicContact CB-CE1 3.67Å; W805-F808 HydrophobicContact CB-CE2 4.14Å; W805-F808 HydrophobicContact CB-CZ 3.43Å; W805-F808 VanDerWaalsContact CB-CZ 3.43Å; W805-F808 PolarHBondContact O-N 2.91Å; W805-F808 VanDerWaalsContact O-N 3.14Å; N806-F808 VanDerWaalsContact C-N 3.26Å; N806-F808 PolarHBondContact O-N 2.85Å; F808-L873 HydrophobicContact CE2-CD1 4.37Å; F808-L873 HydrophobicContact CE2-CD2 4.36Å
809A71.1Confident67.6Low0 Ų079.4 Ų79.40%040%0.397CS..SBendtrans-120.682.2176.500000109.4W805 L873 Q909W805-A809 HydrophobicContact CE3-CB 4.2Å; W805-A809 PolarHBondContact O-N 3.1Å; A809-L873 HydrophobicContact CB-CD1 3.29Å; A809-Q909 WeakPolarHBondContact O-CB 3.42Å; A809-Q909 PolarHBondContact O-N 3.14Å
810P63.5Low66.5Low82 Ų8283.4 Ų83.453%0.53242%0.418SS..  trans-64.2146.2-17125.1-33.1000112.3H908 Q909P810-H908 WeakPolarHBondContact O-CB 3.36Å; P810-Q909 PolarHBondContact O-N 3.37Å
811G60.6Low65.2Low33 Ų3384.3 Ų84.334%0.3442%0.42SS..SBendtrans-860.617900000116.1Y813G811-Y813 PolarHBondContact O-N 3.46Å
812E51.6Low64.1Low142 Ų14282.8 Ų82.866%0.66441%0.411SS*.  trans-89.771.4179.1-74-173.6167.700111.6S814E812-S814 PolarHBondContact O-N 2.92Å
813Y50.2Low63.6Low117 Ų11776.7 Ų76.746%0.45939%0.389SS..  trans-74.481.6152-136.2-86.1000106.9G811 P815 L818 M906G811-Y813 PolarHBondContact O-N 3.46Å; Y813-P815 WeakPolarHBondContact O-CD 3.34Å; Y813-L818 HydrophobicContact CD1-CD1 4.14Å; Y813-L818 HydrophobicContact CE1-CD1 4.11Å; Y813-M906 HydrophobicContact CE2-CE 4.09Å; Y813-M906 WeakPolarHBondContact OH-CE 2.86Å
814S50.5Low63.3Low36 Ų3671.4 Ų71.425%0.25238%0.379SS..  trans-58.5123.9-175.7165.10000110.4E812 D816 K817E812-S814 PolarHBondContact O-N 2.92Å; S814-D816 PolarHBondContact O-N 2.92Å; S814-D816 WeakPolarHBondContact OG-CB 3.05Å; S814-D816 PolarHBondContact OG-N 2.82Å; S814-D816 PolarHBondContact OG-OD2 2.97Å; S814-K817 PolarHBondContact O-N 3.18Å
815P51Low62.3Low37 Ų3768.9 Ų68.924%0.2437%0.372CS..Hα-helixtrans-54.1-20.7170.8-24.433.3000113.3Y813 S819 F858Y813-P815 WeakPolarHBondContact O-CD 3.34Å; P815-S819 PolarHBondContact O-N 3.34Å; P815-F858 HydrophobicContact CB-CD1 4.28Å; P815-F858 HydrophobicContact CG-CD1 4.35Å
816D57.5Low61.7Low80 Ų8069.4 Ų69.443%0.42838%0.376SS..Hα-helixtrans-63.8-43.8179.1-58.3-49.7000111.9S814 L818 S819 D820 K855S814-D816 PolarHBondContact O-N 2.92Å; S814-D816 WeakPolarHBondContact OG-CB 3.05Å; S814-D816 PolarHBondContact OG-N 2.82Å; S814-D816 PolarHBondContact OG-OD2 2.97Å; D816-L818 VanDerWaalsContact C-N 3.34Å; D816-L818 PolarHBondContact O-N 2.69Å; D816-S819 PolarHBondContact O-N 3.33Å; D816-S819 PolarHBondContact O-OG 3.09Å; D816-S819 VanDerWaalsContact O-OG 3.08Å; D816-D820 PolarHBondContact O-N 2.85Å; D816-D820 VanDerWaalsContact O-N 3.13Å; D816-K855 IonicContact OD1-NZ 3.37Å; D816-K855 PolarHBondContact OD1-NZ 2.7Å
817K56.4Low61.8Low140 Ų14068.8 Ų68.861%0.60938%0.381SS*.Hα-helixtrans-60.8-41.7179.7-86.3-174.2175.5177.10112.4S814 S819 D820 E821S814-K817 PolarHBondContact O-N 3.18Å; K817-S819 VanDerWaalsContact C-N 3.35Å; K817-D820 PolarHBondContact O-N 2.76Å; K817-E821 PolarHBondContact O-N 2.86Å; K817-E821 VanDerWaalsContact O-N 3.16Å
818L52Low61.4Low51 Ų5170.8 Ų70.827%0.26738%0.384SS..Hα-helixtrans-66.1-37178.6-97.4148.6000112.2Y813 D816 D820 E821 A822 M852 F858Y813-L818 HydrophobicContact CD1-CD1 4.14Å; Y813-L818 HydrophobicContact CE1-CD1 4.11Å; D816-L818 VanDerWaalsContact C-N 3.34Å; D816-L818 PolarHBondContact O-N 2.69Å; L818-D820 VanDerWaalsContact C-N 3.33Å; L818-E821 PolarHBondContact O-N 2.79Å; L818-A822 PolarHBondContact O-N 3.02Å; L818-M852 HydrophobicContact CD2-CE 4.11Å; L818-F858 HydrophobicContact CD1-CE1 4.28Å; L818-F858 HydrophobicContact CD1-CZ 3.97Å
819S59.9Low60.8Low16 Ų1668.7 Ų68.711%0.11238%0.377CS..Hα-helixtrans-68.1-35.6178.192.90000112.2P815 D816 K817 A822 M852 K855P815-S819 PolarHBondContact O-N 3.34Å; D816-S819 PolarHBondContact O-N 3.33Å; D816-S819 PolarHBondContact O-OG 3.09Å; D816-S819 VanDerWaalsContact O-OG 3.08Å; K817-S819 VanDerWaalsContact C-N 3.35Å; S819-A822 WeakPolarHBondContact O-CB 3.07Å; S819-A822 PolarHBondContact O-N 3.31Å; S819-M852 WeakPolarHBondContact CA-O 3.37Å; S819-K855 WeakPolarHBondContact OG-CE 3.25Å; S819-K855 PolarHBondContact OG-NZ 3.1Å
820D66Low60.7Low118 Ų11869.7 Ų69.763%0.63139%0.387SS*.Hα-helixtrans-74-29.5-180-66.2-14.9000111.5D816 K817 L818D816-D820 PolarHBondContact O-N 2.85Å; D816-D820 VanDerWaalsContact O-N 3.13Å; K817-D820 PolarHBondContact O-N 2.76Å; L818-D820 VanDerWaalsContact C-N 3.33Å
821E62.7Low61.2Low124 Ų12471.1 Ų71.158%0.57939%0.385SS*.Hα-helixtrans-85.2-8177-71.6-173.9-171.600114.4K817 L818 D823 P824 A825K817-E821 PolarHBondContact O-N 2.86Å; K817-E821 VanDerWaalsContact O-N 3.16Å; L818-E821 PolarHBondContact O-N 2.79Å; E821-D823 PolarHBondContact O-N 3.16Å; E821-P824 WeakPolarHBondContact O-CD 3.32Å; E821-A825 VanDerWaalsContact O-CB 3.26Å; E821-A825 WeakPolarHBondContact O-CB 3.5Å; E821-A825 PolarHBondContact O-N 3.07Å
822A63Low60.9Low0 Ų072.2 Ų72.20%039%0.385CS..Hα-helixtrans-58.5-48.4-175.900000113.5L818 S819 V826 M852 K853L818-A822 PolarHBondContact O-N 3.02Å; S819-A822 WeakPolarHBondContact O-CB 3.07Å; S819-A822 PolarHBondContact O-N 3.31Å; A822-V826 VanDerWaalsContact O-CB 3.27Å; A822-V826 WeakPolarHBondContact O-CB 3.5Å; A822-V826 WeakPolarHBondContact O-CG2 3.39Å; A822-V826 PolarHBondContact O-N 2.85Å; A822-V826 VanDerWaalsContact O-N 3.08Å; A822-M852 HydrophobicContact CB-CB 3.55Å; A822-M852 HydrophobicContact CB-CE 4.3Å; A822-M852 HydrophobicContact CB-SD 4.33Å; A822-K853 HydrophobicContact CB-CG 3.9Å
823D72.2Confident61.1Low88 Ų8866.6 Ų66.647%0.47136%0.359SS..Hα-helixtrans-69.5-45.5-179-72.4-29.5000112.8E821 V826 A827 K853E821-D823 PolarHBondContact O-N 3.16Å; D823-V826 PolarHBondContact O-N 3.23Å; D823-A827 WeakPolarHBondContact O-CB 3.36Å; D823-A827 PolarHBondContact O-N 3.14Å; D823-K853 VanDerWaalsContact OD1-CE 3.23Å; D823-K853 WeakPolarHBondContact OD1-CE 3.35Å; D823-K853 IonicContact OD1-NZ 2.85Å; D823-K853 PolarHBondContact OD1-NZ 3.05Å; D823-K853 WeakPolarHBondContact OD2-CE 3.49Å; D823-K853 IonicContact OD2-NZ 3.68Å; D823-K853 PolarHBondContact OD2-NZ 3.18Å
824P68.4Low61.8Low79 Ų7968.8 Ų68.851%0.51337%0.373SS..Hα-helixtrans-56.9-47172.3-24.730.5000113.5E821 V826 A827 E828E821-P824 WeakPolarHBondContact O-CD 3.32Å; P824-V826 VanDerWaalsContact C-N 3.31Å; P824-V826 PolarHBondContact O-N 3.08Å; P824-A827 PolarHBondContact O-N 3.5Å; P824-E828 PolarHBondContact O-N 2.83Å
825A59.3Low62.2Low44 Ų4473.3 Ų73.336%0.36439%0.394SS..Hα-helixtrans-62.2-40.9-179.700000111.6E821 E828 M829 M852E821-A825 VanDerWaalsContact O-CB 3.26Å; E821-A825 WeakPolarHBondContact O-CB 3.5Å; E821-A825 PolarHBondContact O-N 3.07Å; A825-E828 PolarHBondContact O-N 2.95Å; A825-M829 VanDerWaalsContact O-CB 3.3Å; A825-M829 WeakPolarHBondContact O-CB 3.36Å; A825-M829 PolarHBondContact O-N 2.9Å; A825-M852 HydrophobicContact CB-CE 4.4Å
826V65.5Low61.8Low25 Ų2576.8 Ų76.815%0.15240%0.403CS..Hα-helixtrans-67-40.7177.1159.10000112A822 D823 P824 E828 G830 L845 A849A822-V826 VanDerWaalsContact O-CB 3.27Å; A822-V826 WeakPolarHBondContact O-CB 3.5Å; A822-V826 WeakPolarHBondContact O-CG2 3.39Å; A822-V826 PolarHBondContact O-N 2.85Å; A822-V826 VanDerWaalsContact O-N 3.08Å; D823-V826 PolarHBondContact O-N 3.23Å; P824-V826 VanDerWaalsContact C-N 3.31Å; P824-V826 PolarHBondContact O-N 3.08Å; V826-E828 VanDerWaalsContact C-N 3.32Å; V826-E828 PolarHBondContact O-N 3.13Å; V826-G830 PolarHBondContact O-N 2.82Å; V826-L845 HydrophobicContact CG1-CB 3.93Å; V826-A849 HydrophobicContact CB-CB 4.36Å; V826-A849 HydrophobicContact CG1-CB 4.36Å; V826-A849 HydrophobicContact CG2-CB 3.61Å
827A73.4Confident61.6Low57 Ų5777 Ų7747%0.47141%0.411SS..Hα-helixtrans-62.3-41.617500000111.3D823 P824 G830 K831D823-A827 WeakPolarHBondContact O-CB 3.36Å; D823-A827 PolarHBondContact O-N 3.14Å; P824-A827 PolarHBondContact O-N 3.5Å; A827-G830 PolarHBondContact O-N 3.09Å; A827-K831 PolarHBondContact O-N 2.94Å
828E65.2Low61.1Low97 Ų9777.6 Ų77.645%0.45342%0.416SS..Hα-helixtrans-71.3-43.3179.1-15760.7-15800111.9P824 A825 V826 G830 K831 V832P824-E828 PolarHBondContact O-N 2.83Å; A825-E828 PolarHBondContact O-N 2.95Å; V826-E828 VanDerWaalsContact C-N 3.32Å; V826-E828 PolarHBondContact O-N 3.13Å; E828-G830 PolarHBondContact O-N 2.95Å; E828-K831 WeakPolarHBondContact O-CB 3.49Å; E828-K831 PolarHBondContact O-N 2.86Å; E828-K831 IonicContact OE1-NZ 3.33Å; E828-K831 WeakPolarHBondContact OE2-CE 3.44Å; E828-K831 IonicContact OE2-NZ 2.68Å; E828-K831 PolarHBondContact OE2-NZ 3.17Å; E828-V832 PolarHBondContact O-N 3Å; E828-V832 VanDerWaalsContact O-N 3.15Å
829M57.4Low60.7Low77 Ų7783.3 Ų83.338%0.37944%0.435SS..Hα-helixtrans-64.2-31.9176-161149.8-170.700111.6A825 V832 M833 F840 L843 L845A825-M829 VanDerWaalsContact O-CB 3.3Å; A825-M829 WeakPolarHBondContact O-CB 3.36Å; A825-M829 PolarHBondContact O-N 2.9Å; M829-V832 PolarHBondContact O-N 3.21Å; M829-M833 WeakPolarHBondContact O-CB 3.2Å; M829-M833 VanDerWaalsContact O-CG 3.26Å; M829-M833 WeakPolarHBondContact O-CG 3.43Å; M829-M833 PolarHBondContact O-N 2.93Å; M829-F840 HydrophobicContact CE-CE1 4.29Å; M829-L843 HydrophobicContact CE-CD2 4.33Å; M829-L845 HydrophobicContact CB-CD2 3.82Å; M829-L845 HydrophobicContact CG-CD2 3.83Å
830G69.1Low60.2Low20 Ų2085.4 Ų85.421%0.20644%0.442CS..Hα-helixtrans-57.1-44.7168.900000113.8V826 A827 E828 M833 E834V826-G830 PolarHBondContact O-N 2.82Å; A827-G830 PolarHBondContact O-N 3.09Å; E828-G830 PolarHBondContact O-N 2.95Å; G830-M833 PolarHBondContact O-N 3.03Å; G830-E834 WeakPolarHBondContact O-CB 3.38Å; G830-E834 PolarHBondContact O-N 3.03Å
831K72.8Confident59.5Low113 Ų11382 Ų8249%0.49144%0.435SS..Hα-helixtrans-63.8-42.9176.4-62.4171.5-168.9163.50111.6A827 E828 E834 L835A827-K831 PolarHBondContact O-N 2.94Å; E828-K831 WeakPolarHBondContact O-CB 3.49Å; E828-K831 PolarHBondContact O-N 2.86Å; E828-K831 IonicContact OE1-NZ 3.33Å; E828-K831 WeakPolarHBondContact OE2-CE 3.44Å; E828-K831 IonicContact OE2-NZ 2.68Å; E828-K831 PolarHBondContact OE2-NZ 3.17Å; K831-E834 PolarHBondContact O-N 3.35Å; K831-L835 PolarHBondContact O-N 3.25Å
832V54Low58.8Low56 Ų5680.9 Ų80.934%0.33944%0.44SS..Hα-helixtrans-65.2-44.1178.6-178.30000110.6E828 M829 E834 L835 Y836 F840E828-V832 PolarHBondContact O-N 3Å; E828-V832 VanDerWaalsContact O-N 3.15Å; M829-V832 PolarHBondContact O-N 3.21Å; V832-E834 VanDerWaalsContact C-N 3.28Å; V832-E834 PolarHBondContact O-N 3.22Å; V832-L835 PolarHBondContact O-N 3.23Å; V832-Y836 HydrophobicContact CG1-CD2 3.8Å; V832-Y836 HydrophobicContact CG1-CE2 4.35Å; V832-Y836 WeakPolarHBondContact O-CB 3.5Å; V832-Y836 WeakPolarHBondContact O-CD2 3.38Å; V832-Y836 PolarHBondContact O-N 3.04Å; V832-F840 HydrophobicContact CG1-CE2 3.65Å; V832-F840 HydrophobicContact CG1-CZ 3.52Å
833M56Low57.9Low24 Ų2484.7 Ų84.712%0.11846%0.46CS..Hα-helixtrans-61.3-36.5176.3-76.6-170.260.900112.8M829 G830 Y836 S837 F840 L843 L845M829-M833 WeakPolarHBondContact O-CB 3.2Å; M829-M833 VanDerWaalsContact O-CG 3.26Å; M829-M833 WeakPolarHBondContact O-CG 3.43Å; M829-M833 PolarHBondContact O-N 2.93Å; G830-M833 PolarHBondContact O-N 3.03Å; M833-Y836 CarbonylContact O-C 3.58Å; M833-S837 WeakPolarHBondContact O-CA 3.49Å; M833-S837 WeakPolarHBondContact O-CB 3.45Å; M833-S837 PolarHBondContact O-N 3.45Å; M833-F840 HydrophobicContact CB-CB 4.25Å; M833-F840 HydrophobicContact CB-CD2 4.5Å; M833-F840 HydrophobicContact CB-CG 4.31Å; M833-F840 HydrophobicContact CE-CB 3.94Å; M833-F840 HydrophobicContact CG-CB 3.66Å; M833-F840 HydrophobicContact CG-CD1 3.81Å; M833-F840 HydrophobicContact CG-CD2 4.18Å; M833-F840 HydrophobicContact CG-CG 3.61Å; M833-F840 HydrophobicContact SD-CB 4.36Å; M833-L843 HydrophobicContact CE-CB 3.49Å; M833-L843 VanDerWaalsContact CE-CB 3.49Å; M833-L843 WeakPolarHBondContact CE-O 3.35Å; M833-L843 HydrophobicContact SD-CB 3.81Å; M833-L843 HydrophobicContact SD-CD2 4.08Å; M833-L845 HydrophobicContact SD-CD1 3.81Å; M833-L845 HydrophobicContact SD-CD2 3.58Å; M833-L845 VanDerWaalsContact SD-CD2 3.58Å; M833-L845 HydrophobicContact SD-CG 3.62Å
834E65.2Low57.3Low162 Ų16283.8 Ų83.876%0.75746%0.456SS*.Hα-helixtrans-68.6-41.9176.8-156.5170-153.200111G830 K831 V832 Y836G830-E834 WeakPolarHBondContact O-CB 3.38Å; G830-E834 PolarHBondContact O-N 3.03Å; K831-E834 PolarHBondContact O-N 3.35Å; V832-E834 VanDerWaalsContact C-N 3.28Å; V832-E834 PolarHBondContact O-N 3.22Å; E834-Y836 VanDerWaalsContact C-N 3.31Å; E834-Y836 PolarHBondContact O-N 3.18Å
835L58.2Low56.8Low131 Ų13181.6 Ų81.669%0.68644%0.439SS*.Hα-helixtrans-64.9-32.9176.5-124.588.8000113.3K831 V832K831-L835 PolarHBondContact O-N 3.25Å; V832-L835 PolarHBondContact O-N 3.23Å
836Y43Very low57.1Low111 Ų11187.7 Ų87.744%0.43546%0.458SS..THydrogen-bonded Turntrans-130.134.4-167.3-65.8-64.3000112.2V832 M833 E834 E838 Y839 F840V832-Y836 HydrophobicContact CG1-CD2 3.8Å; V832-Y836 HydrophobicContact CG1-CE2 4.35Å; V832-Y836 WeakPolarHBondContact O-CB 3.5Å; V832-Y836 WeakPolarHBondContact O-CD2 3.38Å; V832-Y836 PolarHBondContact O-N 3.04Å; M833-Y836 CarbonylContact O-C 3.58Å; E834-Y836 VanDerWaalsContact C-N 3.31Å; E834-Y836 PolarHBondContact O-N 3.18Å; Y836-E838 PolarHBondContact O-N 3.48Å; Y836-Y839 HydrophobicContact CD1-CD2 4.16Å; Y836-Y839 HydrophobicContact CD1-CE2 4.17Å; Y836-Y839 HydrophobicContact CG-CD2 4.4Å; Y836-Y839 PolarHBondContact O-N 3.11Å; Y836-F840 HydrophobicContact CD2-CE2 4.33Å; Y836-F840 HydrophobicContact CG-CE2 4.33Å; Y836-F840 VanDerWaalsContact O-CD2 3.31Å; Y836-F840 WeakPolarHBondContact O-CD2 3.38Å; Y836-F840 PolarHBondContact O-N 3.27Å
837S54.8Low56.7Low85 Ų8588.6 Ų88.659%0.59446%0.462SS*.Hα-helixtrans-52.4-28.2-17259.20000114.9M833 Y839 G841M833-S837 WeakPolarHBondContact O-CA 3.49Å; M833-S837 WeakPolarHBondContact O-CB 3.45Å; M833-S837 PolarHBondContact O-N 3.45Å; S837-Y839 VanDerWaalsContact C-N 3.27Å; S837-Y839 PolarHBondContact O-N 2.93Å; S837-G841 PolarHBondContact O-N 3.05Å
838E46Very low55.8Low152 Ų15288.7 Ų88.771%0.7145%0.454SS*.Hα-helixtrans-61.8-28.4173.665.8-174.7-179.800114Y836Y836-E838 PolarHBondContact O-N 3.48Å
839Y43.1Very low55.7Low170 Ų17084.5 Ų84.567%0.66744%0.436SS*.Hα-helixtrans-93.4-30.8179.7-60.1-80.1000113.4Y836 S837Y836-Y839 HydrophobicContact CD1-CD2 4.16Å; Y836-Y839 HydrophobicContact CD1-CE2 4.17Å; Y836-Y839 HydrophobicContact CG-CD2 4.4Å; Y836-Y839 PolarHBondContact O-N 3.11Å; S837-Y839 VanDerWaalsContact C-N 3.27Å; S837-Y839 PolarHBondContact O-N 2.93Å
840F48.3Very low56Low61 Ų6182.8 Ų82.827%0.26844%0.438SS..Hα-helixtrans-92.4-10.7-171.5-70.4-82.9000114.5M829 V832 M833 Y836M829-F840 HydrophobicContact CE-CE1 4.29Å; V832-F840 HydrophobicContact CG1-CE2 3.65Å; V832-F840 HydrophobicContact CG1-CZ 3.52Å; M833-F840 HydrophobicContact CB-CB 4.25Å; M833-F840 HydrophobicContact CB-CD2 4.5Å; M833-F840 HydrophobicContact CB-CG 4.31Å; M833-F840 HydrophobicContact CE-CB 3.94Å; M833-F840 HydrophobicContact CG-CB 3.66Å; M833-F840 HydrophobicContact CG-CD1 3.81Å; M833-F840 HydrophobicContact CG-CD2 4.18Å; M833-F840 HydrophobicContact CG-CG 3.61Å; M833-F840 HydrophobicContact SD-CB 4.36Å; Y836-F840 HydrophobicContact CD2-CE2 4.33Å; Y836-F840 HydrophobicContact CG-CE2 4.33Å; Y836-F840 VanDerWaalsContact O-CD2 3.31Å; Y836-F840 WeakPolarHBondContact O-CD2 3.38Å; Y836-F840 PolarHBondContact O-N 3.27Å
841G51.6Low55.5Low46 Ų4686.2 Ų86.247%0.47445%0.447SS..THydrogen-bonded Turntrans56.2-144.8178.600000112.6S837 L843S837-G841 PolarHBondContact O-N 3.05Å; G841-L843 PolarHBondContact O-N 3.01Å
842S49Very low54.7Low100 Ų10083.1 Ų83.170%0.69944%0.435SS*.THydrogen-bonded Turntrans-98.548.8-18062.20000112.5
843L44.6Very low55.4Low80 Ų8085 Ų8542%0.41944%0.438SS..  trans-64.1130.6174-14482.3000109.7M829 M833 G841 I848M829-L843 HydrophobicContact CE-CD2 4.33Å; M833-L843 HydrophobicContact CE-CB 3.49Å; M833-L843 VanDerWaalsContact CE-CB 3.49Å; M833-L843 WeakPolarHBondContact CE-O 3.35Å; M833-L843 HydrophobicContact SD-CB 3.81Å; M833-L843 HydrophobicContact SD-CD2 4.08Å; G841-L843 PolarHBondContact O-N 3.01Å; L843-I848 HydrophobicContact CD2-CD1 3.61Å; L843-I848 HydrophobicContact CG-CD1 4.19Å
844N58.3Low56Low70 Ų7087.4 Ų87.437%0.37445%0.452SS..  trans-96.199.5176.3-176.60.8000110.2K846 D847 I848N844-K846 PolarHBondContact O-N 2.69Å; N844-K846 WeakPolarHBondContact OD1-CB 3.4Å; N844-K846 PolarHBondContact OD1-N 2.97Å; N844-K846 VanDerWaalsContact OD1-N 3.12Å; N844-D847 HydrophobicContact CB-CB 4.38Å; N844-D847 PolarHBondContact ND2-OD1 3.3Å; N844-D847 PolarHBondContact ND2-OD2 3.15Å; N844-D847 VanDerWaalsContact ND2-OD2 3.08Å; N844-D847 WeakPolarHBondContact O-CB 3.48Å; N844-D847 PolarHBondContact O-N 3.45Å; N844-D847 VanDerWaalsContact O-N 3.1Å; N844-I848 PolarHBondContact O-N 3.42Å
845L58.9Low55.9Low32 Ų3283.6 Ų83.617%0.16843%0.433CS..Hα-helixtrans-60.3-30.3-179.5-67.3166.8000113.7V826 M829 M833 D847 I848 A849V826-L845 HydrophobicContact CG1-CB 3.93Å; M829-L845 HydrophobicContact CB-CD2 3.82Å; M829-L845 HydrophobicContact CG-CD2 3.83Å; M833-L845 HydrophobicContact SD-CD1 3.81Å; M833-L845 HydrophobicContact SD-CD2 3.58Å; M833-L845 VanDerWaalsContact SD-CD2 3.58Å; M833-L845 HydrophobicContact SD-CG 3.62Å; L845-D847 PolarHBondContact O-N 3.44Å; L845-I848 PolarHBondContact O-N 2.97Å; L845-A849 PolarHBondContact O-N 3.38Å
846K64.8Low56.1Low172 Ų17285.2 Ų85.275%0.74844%0.437SS*.Hα-helixtrans-65-30.9177.7-68.6-174.9177.1179.80112.2N844 A849 G850N844-K846 PolarHBondContact O-N 2.69Å; N844-K846 WeakPolarHBondContact OD1-CB 3.4Å; N844-K846 PolarHBondContact OD1-N 2.97Å; N844-K846 VanDerWaalsContact OD1-N 3.12Å; K846-A849 WeakPolarHBondContact O-CB 3.16Å; K846-G850 PolarHBondContact O-N 2.78Å
847D56.5Low56.9Low44 Ų4481.8 Ų81.824%0.23543%0.432CS..Hα-helixtrans-75.7-36.4179.2-67.2-11.2000111.5N844 L845 A849 G850 F851 K972N844-D847 HydrophobicContact CB-CB 4.38Å; N844-D847 PolarHBondContact ND2-OD1 3.3Å; N844-D847 PolarHBondContact ND2-OD2 3.15Å; N844-D847 VanDerWaalsContact ND2-OD2 3.08Å; N844-D847 WeakPolarHBondContact O-CB 3.48Å; N844-D847 PolarHBondContact O-N 3.45Å; N844-D847 VanDerWaalsContact O-N 3.1Å; L845-D847 PolarHBondContact O-N 3.44Å; D847-A849 VanDerWaalsContact C-N 3.33Å; D847-G850 PolarHBondContact O-N 2.98Å; D847-F851 PolarHBondContact O-N 3.44Å; D847-K972 VanDerWaalsContact CB-NZ 3.3Å; D847-K972 IonicContact OD2-NZ 3.66Å; D847-K972 PolarHBondContact OD2-NZ 3.35Å
848I55.8Low57Low60 Ų6080.2 Ų80.231%0.30841%0.414SS..Hα-helixtrans-62.6-45.3172.9-61.1175.4000109.2L843 N844 L845 G850 F851 M852L843-I848 HydrophobicContact CD2-CD1 3.61Å; L843-I848 HydrophobicContact CG-CD1 4.19Å; N844-I848 PolarHBondContact O-N 3.42Å; L845-I848 PolarHBondContact O-N 2.97Å; I848-G850 VanDerWaalsContact C-N 3.3Å; I848-G850 PolarHBondContact O-N 2.93Å; I848-F851 PolarHBondContact O-N 2.91Å; I848-M852 HydrophobicContact CG2-SD 4.07Å; I848-M852 WeakPolarHBondContact O-CG 3.31Å; I848-M852 PolarHBondContact O-N 2.95Å
849A62.8Low57.7Low9 Ų975.5 Ų75.57%0.07440%0.396CS..Hα-helixtrans-56.4-45.5173.700000111.8V826 L845 K846 D847 M852 K853V826-A849 HydrophobicContact CB-CB 4.36Å; V826-A849 HydrophobicContact CG1-CB 4.36Å; V826-A849 HydrophobicContact CG2-CB 3.61Å; L845-A849 PolarHBondContact O-N 3.38Å; K846-A849 WeakPolarHBondContact O-CB 3.16Å; D847-A849 VanDerWaalsContact C-N 3.33Å; A849-M852 PolarHBondContact O-N 2.77Å; A849-K853 WeakPolarHBondContact O-CB 2.9Å; A849-K853 VanDerWaalsContact O-CG 3.25Å; A849-K853 WeakPolarHBondContact O-CG 3.11Å; A849-K853 PolarHBondContact O-N 3.34Å; A849-K853 VanDerWaalsContact O-N 3.11Å
850G63.2Low58.5Low41 Ų4170.5 Ų70.542%0.42339%0.389SS..Hα-helixtrans-61.5-44.1179.100000112.6K846 D847 I848 K853 D854K846-G850 PolarHBondContact O-N 2.78Å; D847-G850 PolarHBondContact O-N 2.98Å; I848-G850 VanDerWaalsContact C-N 3.3Å; I848-G850 PolarHBondContact O-N 2.93Å; G850-K853 PolarHBondContact O-N 2.77Å; G850-D854 PolarHBondContact O-N 2.74Å
851F59.2Low58.9Low92 Ų9270 Ų7040%0.40439%0.388SS..Hα-helixtrans-65.1-45.1177.3179-100.9000112.2D847 I848 K853 D854D847-F851 PolarHBondContact O-N 3.44Å; I848-F851 PolarHBondContact O-N 2.91Å; F851-K853 PolarHBondContact O-N 3.21Å; F851-D854 PolarHBondContact O-N 2.95Å; F851-D854 VanDerWaalsContact O-N 3.12Å
852M56.2Low59.3Low48 Ų4870.8 Ų70.824%0.23638%0.378CS..Hα-helixtrans-63.6-24.2177.7-68.3177.87200113L818 S819 A822 A825 I848 A849L818-M852 HydrophobicContact CD2-CE 4.11Å; S819-M852 WeakPolarHBondContact CA-O 3.37Å; A822-M852 HydrophobicContact CB-CB 3.55Å; A822-M852 HydrophobicContact CB-CE 4.3Å; A822-M852 HydrophobicContact CB-SD 4.33Å; A825-M852 HydrophobicContact CB-CE 4.4Å; I848-M852 HydrophobicContact CG2-SD 4.07Å; I848-M852 WeakPolarHBondContact O-CG 3.31Å; I848-M852 PolarHBondContact O-N 2.95Å; A849-M852 PolarHBondContact O-N 2.77Å
853K68.2Low59.9Low94 Ų9471.4 Ų71.441%0.40937%0.372SS..Hα-helixtrans-86-15.7176.6-72.9175.9177.6-1750114A822 D823 A849 G850 F851 K855A822-K853 HydrophobicContact CB-CG 3.9Å; D823-K853 VanDerWaalsContact OD1-CE 3.23Å; D823-K853 WeakPolarHBondContact OD1-CE 3.35Å; D823-K853 IonicContact OD1-NZ 2.85Å; D823-K853 PolarHBondContact OD1-NZ 3.05Å; D823-K853 WeakPolarHBondContact OD2-CE 3.49Å; D823-K853 IonicContact OD2-NZ 3.68Å; D823-K853 PolarHBondContact OD2-NZ 3.18Å; A849-K853 WeakPolarHBondContact O-CB 2.9Å; A849-K853 VanDerWaalsContact O-CG 3.25Å; A849-K853 WeakPolarHBondContact O-CG 3.11Å; A849-K853 PolarHBondContact O-N 3.34Å; A849-K853 VanDerWaalsContact O-N 3.11Å; G850-K853 PolarHBondContact O-N 2.77Å; F851-K853 PolarHBondContact O-N 3.21Å; K853-K855 PolarHBondContact O-N 3.45Å
854D69.2Low60.8Low76 Ų7669.2 Ų69.241%0.40636%0.363SS..  trans-82.382.1-179.2-167-18.4000111.2G850 F851 E856 A857 F858G850-D854 PolarHBondContact O-N 2.74Å; F851-D854 PolarHBondContact O-N 2.95Å; F851-D854 VanDerWaalsContact O-N 3.12Å; D854-E856 VanDerWaalsContact C-N 3.29Å; D854-E856 PolarHBondContact O-N 3.01Å; D854-E856 PolarHBondContact OD1-N 3.38Å; D854-A857 HydrophobicContact CB-CB 4.18Å; D854-A857 VanDerWaalsContact CG-CB 3.47Å; D854-A857 PolarHBondContact O-N 3.48Å; D854-A857 PolarHBondContact OD1-N 3.35Å; D854-A857 VanDerWaalsContact OD1-N 3.11Å; D854-F858 PolarHBondContact O-N 3.46Å
855K62.4Low61.1Low81 Ų8166.7 Ų66.735%0.35235%0.349SS..Hα-helixtrans-59.3-37.4-178-63-175.9179.6-171.10112.9D816 S819 K853 T859D816-K855 IonicContact OD1-NZ 3.37Å; D816-K855 PolarHBondContact OD1-NZ 2.7Å; S819-K855 WeakPolarHBondContact OG-CE 3.25Å; S819-K855 PolarHBondContact OG-NZ 3.1Å; K853-K855 PolarHBondContact O-N 3.45Å; K855-T859 VanDerWaalsContact O-CB 3.31Å; K855-T859 WeakPolarHBondContact O-CB 3.44Å; K855-T859 PolarHBondContact O-N 3.48Å; K855-T859 PolarHBondContact O-OG1 2.74Å
856E62Low61.6Low165 Ų16570.8 Ų70.877%0.77136%0.362SS*.Hα-helixtrans-70.7-46.3-176.5-74.5-179.6175.500110.9D854 F858 T859 A860D854-E856 VanDerWaalsContact C-N 3.29Å; D854-E856 PolarHBondContact O-N 3.01Å; D854-E856 PolarHBondContact OD1-N 3.38Å; E856-F858 VanDerWaalsContact C-N 3.34Å; E856-F858 PolarHBondContact O-N 2.95Å; E856-T859 PolarHBondContact O-N 3.41Å; E856-A860 VanDerWaalsContact O-CB 3.27Å; E856-A860 WeakPolarHBondContact O-CB 3.37Å; E856-A860 PolarHBondContact O-N 2.89Å
857A59.1Low61.9Low39 Ų3971 Ų7132%0.32237%0.365SS..Hα-helixtrans-61.1-43.4176.800000111.8D854 Q861D854-A857 HydrophobicContact CB-CB 4.18Å; D854-A857 VanDerWaalsContact CG-CB 3.47Å; D854-A857 PolarHBondContact O-N 3.48Å; D854-A857 PolarHBondContact OD1-N 3.35Å; D854-A857 VanDerWaalsContact OD1-N 3.11Å; A857-Q861 WeakPolarHBondContact O-CB 3.47Å; A857-Q861 PolarHBondContact O-N 3.14Å
858F56.9Low62.8Low53 Ų5370.2 Ų70.223%0.23236%0.362CS..Hα-helixtrans-64.3-46.1178.1-171.9-96000112.2P815 L818 D854 E856 Q861 F862P815-F858 HydrophobicContact CB-CD1 4.28Å; P815-F858 HydrophobicContact CG-CD1 4.35Å; L818-F858 HydrophobicContact CD1-CE1 4.28Å; L818-F858 HydrophobicContact CD1-CZ 3.97Å; D854-F858 PolarHBondContact O-N 3.46Å; E856-F858 VanDerWaalsContact C-N 3.34Å; E856-F858 PolarHBondContact O-N 2.95Å; F858-Q861 PolarHBondContact O-N 3.05Å; F858-F862 HydrophobicContact CD1-CD2 4.36Å; F858-F862 AromaticContact CE1-CD2 3.7Å; F858-F862 HydrophobicContact CE1-CD2 3.7Å; F858-F862 AromaticContact CE1-CE2 3.9Å; F858-F862 HydrophobicContact CE1-CE2 3.9Å; F858-F862 AromaticContact CZ-CD2 3.81Å; F858-F862 HydrophobicContact CZ-CD2 3.81Å; F858-F862 AromaticContact CZ-CE2 3.68Å; F858-F862 HydrophobicContact CZ-CE2 3.68Å; F858-F862 PolarHBondContact O-N 2.82Å
859T60.9Low63.8Low53 Ų5367.6 Ų67.633%0.32535%0.349SS..Hα-helixtrans-65.2-43.4179.6-550000111.6K855 E856 Q861 F862 M863K855-T859 VanDerWaalsContact O-CB 3.31Å; K855-T859 WeakPolarHBondContact O-CB 3.44Å; K855-T859 PolarHBondContact O-N 3.48Å; K855-T859 PolarHBondContact O-OG1 2.74Å; E856-T859 PolarHBondContact O-N 3.41Å; T859-Q861 VanDerWaalsContact C-N 3.29Å; T859-Q861 PolarHBondContact O-N 2.99Å; T859-F862 PolarHBondContact O-N 3.09Å; T859-M863 HydrophobicContact CG2-CE 4.36Å; T859-M863 HydrophobicContact CG2-CG 4.38Å; T859-M863 VanDerWaalsContact O-CG 3.24Å; T859-M863 WeakPolarHBondContact O-CG 3.37Å; T859-M863 PolarHBondContact O-N 3.37Å
860A60.7Low64.8Low64 Ų6470.2 Ų70.253%0.52937%0.365SS..Hα-helixtrans-61.5-39.1176.800000111.7E856 S864E856-A860 VanDerWaalsContact O-CB 3.27Å; E856-A860 WeakPolarHBondContact O-CB 3.37Å; E856-A860 PolarHBondContact O-N 2.89Å; A860-S864 PolarHBondContact O-N 2.91Å
861Q57.2Low65.8Low50 Ų5069.4 Ų69.423%0.23435%0.351CS..Hα-helixtrans-65.1-44.7175.9-174.5164.49.400111.6A857 F858 T859 S864 Y865 K966A857-Q861 WeakPolarHBondContact O-CB 3.47Å; A857-Q861 PolarHBondContact O-N 3.14Å; F858-Q861 PolarHBondContact O-N 3.05Å; T859-Q861 VanDerWaalsContact C-N 3.29Å; T859-Q861 PolarHBondContact O-N 2.99Å; Q861-S864 PolarHBondContact O-N 3.3Å; Q861-S864 PolarHBondContact O-OG 2.77Å; Q861-Y865 HydrophobicContact CG-CE1 4.31Å; Q861-Y865 HydrophobicContact CG-CE2 4.21Å; Q861-Y865 WeakPolarHBondContact CG-OH 3.48Å; Q861-Y865 PolarHBondContact NE2-OH 3.29Å; Q861-K966 PolarHBondContact NE2-O 2.96Å
862F58.9Low67.3Low63 Ų6365 Ų6528%0.27633%0.332SS..Hα-helixtrans-61.5-44176-120.2-88.4000112.9F858 T859 S864 Y865 E914F858-F862 HydrophobicContact CD1-CD2 4.36Å; F858-F862 AromaticContact CE1-CD2 3.7Å; F858-F862 HydrophobicContact CE1-CD2 3.7Å; F858-F862 AromaticContact CE1-CE2 3.9Å; F858-F862 HydrophobicContact CE1-CE2 3.9Å; F858-F862 AromaticContact CZ-CD2 3.81Å; F858-F862 HydrophobicContact CZ-CD2 3.81Å; F858-F862 AromaticContact CZ-CE2 3.68Å; F858-F862 HydrophobicContact CZ-CE2 3.68Å; F858-F862 PolarHBondContact O-N 2.82Å; T859-F862 PolarHBondContact O-N 3.09Å; F862-S864 VanDerWaalsContact C-N 3.26Å; F862-S864 PolarHBondContact O-N 3.33Å; F862-Y865 PolarHBondContact O-N 2.78Å; F862-E914 WeakPolarHBondContact CZ-OE1 3.37Å
863M61.7Low68.9Low113 Ų11363.1 Ų63.156%0.55732%0.322SS*.Hα-helixtrans-59.7-36.5178.1-72.7-85.8-176.500112.1T859 Y865 R866T859-M863 HydrophobicContact CG2-CE 4.36Å; T859-M863 HydrophobicContact CG2-CG 4.38Å; T859-M863 VanDerWaalsContact O-CG 3.24Å; T859-M863 WeakPolarHBondContact O-CG 3.37Å; T859-M863 PolarHBondContact O-N 3.37Å; M863-Y865 PolarHBondContact O-N 3.21Å; M863-R866 PolarHBondContact O-N 2.97Å
864S63.5Low69.9Low35 Ų3558.6 Ų58.625%0.24530%0.303CS..Hα-helixtrans-65.4-22.6-178.476.40000114.2A860 Q861 F862A860-S864 PolarHBondContact O-N 2.91Å; Q861-S864 PolarHBondContact O-N 3.3Å; Q861-S864 PolarHBondContact O-OG 2.77Å; F862-S864 VanDerWaalsContact C-N 3.26Å; F862-S864 PolarHBondContact O-N 3.33Å
865Y65.3Low70.9Confident17 Ų1755 Ų557%0.06728%0.284CS..Hα-helixtrans-77.2-33-178.6-55-30.6000112.6Q861 F862 M863 E867 V868 M869 V963 T967Q861-Y865 HydrophobicContact CG-CE1 4.31Å; Q861-Y865 HydrophobicContact CG-CE2 4.21Å; Q861-Y865 WeakPolarHBondContact CG-OH 3.48Å; Q861-Y865 PolarHBondContact NE2-OH 3.29Å; F862-Y865 PolarHBondContact O-N 2.78Å; M863-Y865 PolarHBondContact O-N 3.21Å; Y865-E867 PolarHBondContact O-N 3.44Å; Y865-V868 PolarHBondContact O-N 3.4Å; Y865-M869 PolarHBondContact O-N 3.47Å; Y865-V963 HydrophobicContact CD1-CB 4.11Å; Y865-V963 HydrophobicContact CD1-CG1 3.48Å; Y865-V963 VanDerWaalsContact CD1-CG1 3.48Å; Y865-V963 HydrophobicContact CD1-CG2 3.85Å; Y865-V963 HydrophobicContact CE1-CB 4.4Å; Y865-V963 HydrophobicContact CE1-CG1 3.83Å; Y865-V963 HydrophobicContact CE1-CG2 4.48Å; Y865-V963 HydrophobicContact CG-CG1 3.85Å; Y865-T967 PolarHBondContact OH-OG1 3.2Å; Y865-T967 VanDerWaalsContact OH-OG1 3.08Å
866R69.9Low71.8Confident118 Ų11851.7 Ų51.745%0.44527%0.273SS..Hα-helixtrans-64.3-22.1177.7-75.1-179.3169.6168.3-0.3113.5M863 V868 M869 D871M863-R866 PolarHBondContact O-N 2.97Å; R866-V868 VanDerWaalsContact C-N 3.27Å; R866-V868 PolarHBondContact O-N 2.92Å; R866-M869 WeakPolarHBondContact CA-O 3.43Å; R866-D871 VanDerWaalsContact CG-OD1 3.26Å; R866-D871 WeakPolarHBondContact CG-OD1 3.27Å; R866-D871 IonicContact CZ-OD1 2.81Å; R866-D871 IonicContact CZ-OD2 2.69Å; R866-D871 IonicContact NE-OD1 3.01Å; R866-D871 PolarHBondContact NE-OD1 3.08Å; R866-D871 IonicContact NE-OD2 2.73Å; R866-D871 PolarHBondContact NE-OD2 2.81Å; R866-D871 IonicContact NH2-OD1 3.67Å; R866-D871 IonicContact NH2-OD2 3.83Å; R866-D871 PolarHBondContact NH2-OD2 3.26Å
867E71Confident72.8Confident175 Ų17544.3 Ų44.382%0.81824%0.238SC*.THydrogen-bonded Turntrans-70.7-24.6175.1-61.8-172.9162.300112.4Y865Y865-E867 PolarHBondContact O-N 3.44Å
868V75.1Confident74.3Confident29 Ų2942.5 Ų42.518%0.17622%0.223CC..THydrogen-bonded Turntrans-90.6-45.9-177.6179.90000111.8Y865 R866 V960 V963Y865-V868 PolarHBondContact O-N 3.4Å; R866-V868 VanDerWaalsContact C-N 3.27Å; R866-V868 PolarHBondContact O-N 2.92Å; V868-V960 HydrophobicContact CG1-CG2 3.89Å; V868-V963 HydrophobicContact CB-CG2 4.18Å; V868-V963 HydrophobicContact CG1-CG2 4.46Å; V868-V963 HydrophobicContact CG2-CG2 3.78Å
869M77.6Confident75.7Confident5 Ų544.1 Ų44.13%0.02523%0.228CC..SBendtrans-145.9149.9177-106.2-169.3-77.800110.2Y865 R866 F912 Y940 M944 M952 V960Y865-M869 PolarHBondContact O-N 3.47Å; R866-M869 WeakPolarHBondContact CA-O 3.43Å; M869-F912 HydrophobicContact CB-CD1 3.7Å; M869-F912 HydrophobicContact CB-CE1 3.85Å; M869-F912 HydrophobicContact CE-CD1 3.67Å; M869-F912 HydrophobicContact CE-CD2 3.87Å; M869-F912 HydrophobicContact CE-CE1 3.71Å; M869-F912 HydrophobicContact CE-CE2 3.93Å; M869-F912 HydrophobicContact CE-CG 3.76Å; M869-F912 HydrophobicContact CE-CZ 3.84Å; M869-F912 HydrophobicContact SD-CD1 4.28Å; M869-F912 HydrophobicContact SD-CG 4.47Å; M869-Y940 HydrophobicContact CE-CE1 4.42Å; M869-M944 HydrophobicContact SD-CE 4.32Å; M869-M952 HydrophobicContact CE-CE 4.3Å; M869-M952 HydrophobicContact CE-SD 4.07Å; M869-M952 HydrophobicContact CG-SD 4.16Å; M869-M952 HydrophobicContact SD-CE 4.41Å; M869-M952 HydrophobicContact SD-SD 3.44Å; M869-V960 HydrophobicContact CE-CG1 4.36Å; M869-V960 HydrophobicContact CE-CG2 3.6Å
870P82.7Confident76.8Confident64 Ų6441.7 Ų41.742%0.41621%0.213SC..  trans-61158.2171.8-15.228.6000111.5L799 I951L799-P870 HydrophobicContact CD2-CB 3.94Å; L799-P870 HydrophobicContact CD2-CG 4.18Å; P870-I951 HydrophobicContact CG-CG2 4.07Å
871D84.5Confident77.8Confident23 Ų2340 Ų4012%0.12320%0.198CC..  trans-60146172.3-64.3-14.4000111R866 Q909 G910R866-D871 VanDerWaalsContact CG-OD1 3.26Å; R866-D871 WeakPolarHBondContact CG-OD1 3.27Å; R866-D871 IonicContact CZ-OD1 2.81Å; R866-D871 IonicContact CZ-OD2 2.69Å; R866-D871 IonicContact NE-OD1 3.01Å; R866-D871 PolarHBondContact NE-OD1 3.08Å; R866-D871 IonicContact NE-OD2 2.73Å; R866-D871 PolarHBondContact NE-OD2 2.81Å; R866-D871 IonicContact NH2-OD1 3.67Å; R866-D871 IonicContact NH2-OD2 3.83Å; R866-D871 PolarHBondContact NH2-OD2 3.26Å; D871-Q909 HydrophobicContact CB-CG 3.51Å; D871-Q909 PolarHBondContact OD2-NE2 3.08Å; D871-G910 WeakPolarHBondContact CA-O 3.49Å
872V90.3Very high79.2Confident0 Ų038.2 Ų38.20%019%0.189CC..EExtended strand (participates in β ladder)trans-123.5168.1179.8-61.60000110Q795 L799 W805 V874 G910 F912Q795-V872 HydrophobicContact CB-CB 3.99Å; Q795-V872 HydrophobicContact CB-CG1 4.14Å; Q795-V872 HydrophobicContact CB-CG2 4.14Å; Q795-V872 HydrophobicContact CG-CB 4.01Å; Q795-V872 HydrophobicContact CG-CG2 3.7Å; L799-V872 HydrophobicContact CD1-CG1 4.05Å; L799-V872 HydrophobicContact CD2-CG1 3.93Å; L799-V872 HydrophobicContact CG-CG1 3.88Å; W805-V872 WeakPolarHBondContact CH2-O 3.35Å; V872-V874 HydrophobicContact CG2-CG2 4.16Å; V872-V874 PolarHBondContact O-N 3.42Å; V872-V874 VanDerWaalsContact O-N 3.16Å; V872-G910 PolarHBondContact N-O 3.46Å; V872-G910 PolarHBondContact O-N 3.12Å; V872-F912 HydrophobicContact CG2-CB 3.95Å
873L90.7Very high80.7Confident8 Ų835.2 Ų35.24%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-72107.1169.4179.261.6000108.6L794 W797 S798 W805 F808 A809 A907L794-L873 HydrophobicContact CD1-CD2 4.38Å; W797-L873 HydrophobicContact CZ3-CD2 4.07Å; S798-L873 PolarHBondContact OG-N 3.12Å; S798-L873 VanDerWaalsContact OG-N 3.13Å; W805-L873 HydrophobicContact CD2-CB 4.09Å; W805-L873 HydrophobicContact CE3-CB 3.73Å; W805-L873 HydrophobicContact CE3-CD1 3.84Å; W805-L873 HydrophobicContact CE3-CG 4.31Å; W805-L873 HydrophobicContact CH2-CB 4.42Å; W805-L873 VanDerWaalsContact CH2-N 3.34Å; W805-L873 HydrophobicContact CZ3-CB 3.9Å; W805-L873 HydrophobicContact CZ3-CD1 4.27Å; F808-L873 HydrophobicContact CE2-CD1 4.37Å; F808-L873 HydrophobicContact CE2-CD2 4.36Å; A809-L873 HydrophobicContact CB-CD1 3.29Å; L873-A907 HydrophobicContact CD1-CB 4.44Å
874V88.3Confident81.9Confident0 Ų031.3 Ų31.30%016%0.157CC..EExtended strand (participates in β ladder)trans-89.7135.4176.9176.90000108.3V872 A907 H908 G910 S911 E914 D915V872-V874 HydrophobicContact CG2-CG2 4.16Å; V872-V874 PolarHBondContact O-N 3.42Å; V872-V874 VanDerWaalsContact O-N 3.16Å; V874-A907 CarbonylContact O-C 3.47Å; V874-A907 WeakPolarHBondContact O-CA 3.11Å; V874-H908 WeakPolarHBondContact CB-O 3.47Å; V874-H908 VanDerWaalsContact CG1-CE1 3.48Å; V874-H908 WeakPolarHBondContact CG1-CE1 3.46Å; V874-H908 PolarHBondContact N-O 3.33Å; V874-H908 PolarHBondContact O-N 2.83Å; V874-G910 VanDerWaalsContact CG2-C 3.5Å; V874-S911 WeakPolarHBondContact CG2-O 3.35Å; V874-E914 HydrophobicContact CG1-CB 3.82Å; V874-D915 WeakPolarHBondContact CA-OD2 3.19Å; V874-D915 WeakPolarHBondContact CG1-OD1 3.24Å
875H90.7Very high83.1Confident0 Ų029.6 Ų29.60%015%0.146CC..  trans-72.1-36.5175.1178.3-72.5000111.5I791 D877 Y878 I902 D903 W904 M906 A907 D915I791-H875 HydrophobicContact CD1-CB 4.24Å; H875-D877 PolarHBondContact CE1-O 2.83Å; H875-D877 VanDerWaalsContact ND1-C 3.28Å; H875-D877 PolarHBondContact ND1-N 3.13Å; H875-D877 PolarHBondContact ND1-O 3.21Å; H875-D877 PolarHBondContact O-N 2.86Å; H875-D877 VanDerWaalsContact O-N 3.14Å; H875-Y878 HydrophobicContact CB-CD2 4.16Å; H875-Y878 HydrophobicContact CB-CG 4.5Å; H875-Y878 AromaticContact CG-CD2 3.94Å; H875-Y878 PolarHBondContact ND1-N 3.32Å; H875-I902 PolarHBondContact NE2-O 3.31Å; H875-I902 VanDerWaalsContact NE2-O 3.15Å; H875-D903 PolarHBondContact CE1-O 3.31Å; H875-W904 HydrophobicContact CB-CE3 4.43Å; H875-W904 HydrophobicContact CB-CZ3 4.22Å; H875-W904 AromaticContact CD2-CD2 3.52Å; H875-W904 AromaticContact CD2-CE2 3.73Å; H875-W904 AromaticContact CD2-CE3 3.45Å; H875-W904 VanDerWaalsContact CD2-CE3 3.45Å; H875-W904 AromaticContact CD2-CH2 3.87Å; H875-W904 AromaticContact CD2-CZ2 3.92Å; H875-W904 AromaticContact CD2-CZ3 3.63Å; H875-W904 AromaticContact NE2-CD2 3.88Å; H875-M906 CarbonylContact O-C 3.56Å; H875-A907 WeakPolarHBondContact O-CA 3.49Å; H875-A907 PolarHBondContact O-N 2.81Å; H875-D915 WeakPolarHBondContact CA-OD1 3.48Å; H875-D915 WeakPolarHBondContact CB-OD1 3.47Å; H875-D915 VanDerWaalsContact N-CG 3.32Å; H875-D915 PolarHBondContact N-OD1 2.9Å; H875-D915 PolarHBondContact N-OD2 3.23Å
876G81.2Confident84Confident12 Ų1233.4 Ų33.412%0.12416%0.162CC..SBendtrans85.2-27.4169.100000115D915G876-D915 PolarHBondContact N-OD1 3.48Å
877D83Confident84.3Confident10 Ų1029.9 Ų29.95%0.05315%0.154CC..SBendtrans-126.649.7168.6-167.518.1000111.7H875 R879 N882 M906 Y918H875-D877 PolarHBondContact CE1-O 2.83Å; H875-D877 VanDerWaalsContact ND1-C 3.28Å; H875-D877 PolarHBondContact ND1-N 3.13Å; H875-D877 PolarHBondContact ND1-O 3.21Å; H875-D877 PolarHBondContact O-N 2.86Å; H875-D877 VanDerWaalsContact O-N 3.14Å; D877-R879 VanDerWaalsContact CG-NE 3.31Å; D877-R879 PolarHBondContact O-N 2.72Å; D877-R879 VanDerWaalsContact OD1-CD 3.3Å; D877-R879 WeakPolarHBondContact OD1-CD 3.34Å; D877-R879 WeakPolarHBondContact OD1-CG 3.17Å; D877-R879 IonicContact OD1-CZ 2.64Å; D877-R879 IonicContact OD1-NE 3.15Å; D877-R879 PolarHBondContact OD1-NE 3.44Å; D877-R879 IonicContact OD1-NH2 3.08Å; D877-R879 IonicContact OD2-CZ 2.87Å; D877-R879 VanDerWaalsContact OD2-CZ 3.3Å; D877-R879 IonicContact OD2-NE 3Å; D877-R879 PolarHBondContact OD2-NE 3.03Å; D877-R879 IonicContact OD2-NH2 2.74Å; D877-R879 PolarHBondContact OD2-NH2 3.37Å; D877-N882 VanDerWaalsContact CG-ND2 3.26Å; D877-N882 PolarHBondContact O-ND2 2.99Å; D877-N882 PolarHBondContact OD2-ND2 3.31Å; D877-M906 HydrophobicContact CB-CB 4.2Å; D877-M906 HydrophobicContact CB-CG 4.08Å; D877-Y918 WeakPolarHBondContact OD1-CE1 3.4Å
878Y89.9Confident83.7Confident0 Ų023.3 Ų23.30%013%0.134CC..  trans-79.480-173.4-161.8-120.6000112.2C787 I791 H875 I883 I901 D915 L919C787-Y878 WeakPolarHBondContact CA-OH 3.39Å; C787-Y878 HydrophobicContact CB-CE1 4.21Å; C787-Y878 PolarHBondContact O-OH 2.98Å; I791-Y878 HydrophobicContact CB-CD1 4.42Å; I791-Y878 HydrophobicContact CB-CE1 3.8Å; I791-Y878 HydrophobicContact CD1-CD1 4.38Å; I791-Y878 HydrophobicContact CD1-CD2 4.09Å; I791-Y878 HydrophobicContact CD1-CE1 4.32Å; I791-Y878 HydrophobicContact CD1-CE2 4.05Å; I791-Y878 HydrophobicContact CD1-CG 4.28Å; I791-Y878 HydrophobicContact CG1-CD1 4.37Å; I791-Y878 HydrophobicContact CG1-CE1 4.21Å; I791-Y878 HydrophobicContact CG2-CE1 4.16Å; H875-Y878 HydrophobicContact CB-CD2 4.16Å; H875-Y878 HydrophobicContact CB-CG 4.5Å; H875-Y878 AromaticContact CG-CD2 3.94Å; H875-Y878 PolarHBondContact ND1-N 3.32Å; Y878-I883 HydrophobicContact CD2-CD1 4.37Å; Y878-I883 HydrophobicContact CE1-CD1 4.27Å; Y878-I883 HydrophobicContact CE2-CD1 3.83Å; Y878-I883 HydrophobicContact CE2-CG1 4.2Å; Y878-I901 HydrophobicContact CD2-CG2 4.31Å; Y878-I901 HydrophobicContact CE2-CD1 3.92Å; Y878-I901 HydrophobicContact CE2-CG1 4.26Å; Y878-I901 HydrophobicContact CE2-CG2 3.95Å; Y878-D915 WeakPolarHBondContact CB-OD1 3.27Å; Y878-D915 HydrophobicContact CD1-CB 3.97Å; Y878-D915 HydrophobicContact CG-CB 4.06Å; Y878-L919 HydrophobicContact CD1-CB 3.98Å; Y878-L919 HydrophobicContact CD1-CD1 4.17Å; Y878-L919 HydrophobicContact CD1-CD2 4.19Å; Y878-L919 HydrophobicContact CD1-CG 4.35Å; Y878-L919 HydrophobicContact CE1-CD1 4.25Å; Y878-L919 HydrophobicContact CE1-CD2 3.91Å; Y878-L919 HydrophobicContact CE1-CG 4.48Å; Y878-L919 WeakPolarHBondContact O-CA 3.29Å; Y878-L919 WeakPolarHBondContact O-CB 3.49Å; Y878-L919 PolarHBondContact O-N 3.15Å; Y878-L919 VanDerWaalsContact O-N 3.12Å
879R86.5Confident82.4Confident88 Ų8829.4 Ų29.433%0.33217%0.171SC..  trans-127.4160.4-178.755.4175.6169.2163.4-0.1113.2D877 S881 N882 I883 Y918 F922 S923D877-R879 VanDerWaalsContact CG-NE 3.31Å; D877-R879 PolarHBondContact O-N 2.72Å; D877-R879 VanDerWaalsContact OD1-CD 3.3Å; D877-R879 WeakPolarHBondContact OD1-CD 3.34Å; D877-R879 WeakPolarHBondContact OD1-CG 3.17Å; D877-R879 IonicContact OD1-CZ 2.64Å; D877-R879 IonicContact OD1-NE 3.15Å; D877-R879 PolarHBondContact OD1-NE 3.44Å; D877-R879 IonicContact OD1-NH2 3.08Å; D877-R879 IonicContact OD2-CZ 2.87Å; D877-R879 VanDerWaalsContact OD2-CZ 3.3Å; D877-R879 IonicContact OD2-NE 3Å; D877-R879 PolarHBondContact OD2-NE 3.03Å; D877-R879 IonicContact OD2-NH2 2.74Å; D877-R879 PolarHBondContact OD2-NH2 3.37Å; R879-S881 WeakPolarHBondContact CD-OG 3.15Å; R879-S881 WeakPolarHBondContact CG-OG 3.33Å; R879-S881 PolarHBondContact NE-OG 3.31Å; R879-S881 PolarHBondContact O-N 3.35Å; R879-S881 VanDerWaalsContact O-N 3.13Å; R879-N882 HydrophobicContact CG-CB 4.41Å; R879-N882 WeakPolarHBondContact O-CA 3.4Å; R879-N882 WeakPolarHBondContact O-CB 3.44Å; R879-N882 PolarHBondContact O-N 3.5Å; R879-I883 WeakPolarHBondContact O-CG1 3.41Å; R879-Y918 HydrophobicContact CB-CD1 4.48Å; R879-F922 HydrophobicContact CB-CB 4.31Å; R879-S923 VanDerWaalsContact CA-OG 3.23Å; R879-S923 WeakPolarHBondContact CA-OG 3.4Å; R879-S923 WeakPolarHBondContact CB-OG 3.32Å
880A83.2Confident81.2Confident1 Ų133.2 Ų33.21%0.00821%0.212CC..G310 helixtrans-53.1-35.2-176.500000114.3A773 L779 N882 I883 S923A773-A880 HydrophobicContact CB-CB 4.17Å; L779-A880 HydrophobicContact CD1-CB 4.35Å; L779-A880 HydrophobicContact CD2-CB 3.87Å; L779-A880 HydrophobicContact CG-CB 4.02Å; A880-N882 PolarHBondContact O-N 3.03Å; A880-I883 PolarHBondContact O-N 3.49Å; A880-I883 VanDerWaalsContact O-O 3.11Å; A880-S923 PolarHBondContact N-OG 3.12Å
881S82.5Confident79.4Confident30 Ų3033.5 Ų33.521%0.2121%0.212CC..G310 helixtrans-64.8-24.4176.756.20000113.2R879R879-S881 WeakPolarHBondContact CD-OG 3.15Å; R879-S881 WeakPolarHBondContact CG-OG 3.33Å; R879-S881 PolarHBondContact NE-OG 3.31Å; R879-S881 PolarHBondContact O-N 3.35Å; R879-S881 VanDerWaalsContact O-N 3.13Å
882N87.4Confident77.7Confident11 Ų1140.7 Ų40.76%0.05925%0.251CS..G310 helixtrans-98.27.9-179.1-63.3-4.8000111.9D877 R879 A880 I902 D903D877-N882 VanDerWaalsContact CG-ND2 3.26Å; D877-N882 PolarHBondContact O-ND2 2.99Å; D877-N882 PolarHBondContact OD2-ND2 3.31Å; R879-N882 HydrophobicContact CG-CB 4.41Å; R879-N882 WeakPolarHBondContact O-CA 3.4Å; R879-N882 WeakPolarHBondContact O-CB 3.44Å; R879-N882 PolarHBondContact O-N 3.5Å; A880-N882 PolarHBondContact O-N 3.03Å; N882-I902 WeakPolarHBondContact O-CG1 3.26Å; N882-I902 PolarHBondContact O-N 2.77Å; N882-D903 HydrophobicContact CB-CB 4.41Å
883I90.1Very high75.9Confident0 Ų045 Ų450%028%0.277CS..EExtended strand (participates in β ladder)trans-121.2114.1179.4-56.1172.4000108.1C787 Y878 R879 A880 F885 I898 L919C787-I883 HydrophobicContact CB-CD1 4.23Å; C787-I883 VanDerWaalsContact SG-CD1 3.51Å; Y878-I883 HydrophobicContact CD2-CD1 4.37Å; Y878-I883 HydrophobicContact CE1-CD1 4.27Å; Y878-I883 HydrophobicContact CE2-CD1 3.83Å; Y878-I883 HydrophobicContact CE2-CG1 4.2Å; R879-I883 WeakPolarHBondContact O-CG1 3.41Å; A880-I883 PolarHBondContact O-N 3.49Å; A880-I883 VanDerWaalsContact O-O 3.11Å; I883-F885 HydrophobicContact CB-CE2 4.13Å; I883-F885 HydrophobicContact CB-CZ 4.34Å; I883-F885 HydrophobicContact CG2-CD2 4.39Å; I883-F885 HydrophobicContact CG2-CE1 4.17Å; I883-F885 HydrophobicContact CG2-CE2 3.77Å; I883-F885 HydrophobicContact CG2-CZ 3.64Å; I883-I898 HydrophobicContact CG2-CD1 4.3Å; I883-I898 HydrophobicContact CG2-CG1 4.04Å; I883-I898 HydrophobicContact CG2-CG2 4.14Å; I883-L919 HydrophobicContact CD1-CD1 3.85Å
884L87.2Confident74.3Confident31 Ų3146.6 Ų46.616%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-90.3124.2175.6-60.8-179.2000109.3L766 A770 A899 A900 I902L766-L884 HydrophobicContact CB-CD1 4.36Å; L766-L884 HydrophobicContact CD1-CD1 4.16Å; A770-L884 HydrophobicContact CB-CB 4Å; L884-A899 HydrophobicContact CB-CB 4.49Å; L884-A899 WeakPolarHBondContact O-CA 3.13Å; L884-A899 WeakPolarHBondContact O-CB 3.48Å; L884-A899 PolarHBondContact O-N 2.92Å; L884-A900 HydrophobicContact CB-CB 4.42Å; L884-A900 HydrophobicContact CD1-CB 4.42Å; L884-A900 PolarHBondContact N-O 3.08Å; L884-A900 PolarHBondContact O-N 3.46Å; L884-I902 HydrophobicContact CD1-CD1 4.36Å; L884-I902 HydrophobicContact CD1-CG2 4.24Å; L884-I902 HydrophobicContact CD2-CD1 4.48Å; L884-I902 HydrophobicContact CG-CD1 4.28Å
885F88.3Confident73.8Confident0 Ų048.6 Ų48.60%031%0.305CS..EExtended strand (participates in β ladder)trans-100.2143.9175.5-64.2-86.3000110.3A770 G771 A773 L779 Q783 I883 A894 S895 Q897 I898A770-F885 CarbonylContact C-O 3.58Å; A770-F885 WeakPolarHBondContact CA-O 3.31Å; A770-F885 WeakPolarHBondContact CB-O 3.45Å; G771-F885 PolarHBondContact N-O 2.95Å; G771-F885 PolarHBondContact O-N 2.98Å; A773-F885 HydrophobicContact CB-CD2 3.95Å; A773-F885 HydrophobicContact CB-CE2 3.62Å; L779-F885 HydrophobicContact CD2-CE2 3.79Å; L779-F885 HydrophobicContact CD2-CZ 3.6Å; Q783-F885 HydrophobicContact CB-CE1 3.75Å; Q783-F885 HydrophobicContact CB-CZ 3.92Å; Q783-F885 HydrophobicContact CG-CD1 3.96Å; Q783-F885 HydrophobicContact CG-CE1 3.58Å; Q783-F885 HydrophobicContact CG-CZ 4.01Å; I883-F885 HydrophobicContact CB-CE2 4.13Å; I883-F885 HydrophobicContact CB-CZ 4.34Å; I883-F885 HydrophobicContact CG2-CD2 4.39Å; I883-F885 HydrophobicContact CG2-CE1 4.17Å; I883-F885 HydrophobicContact CG2-CE2 3.77Å; I883-F885 HydrophobicContact CG2-CZ 3.64Å; F885-A894 HydrophobicContact CB-CB 4.04Å; F885-S895 WeakPolarHBondContact CB-O 3.44Å; F885-Q897 CarbonylContact C-O 3.26Å; F885-Q897 VanDerWaalsContact CA-O 3.31Å; F885-Q897 WeakPolarHBondContact CA-O 3.46Å; F885-I898 HydrophobicContact CD1-CG1 4.21Å; F885-I898 HydrophobicContact CE1-CG1 3.89Å
886K84.7Confident73.3Confident96 Ų9650.6 Ų50.642%0.41732%0.319SS..EExtended strand (participates in β ladder)trans-63.4137.3178.5-65.5-178.2-174.2170.40110.6V769 S895 Q897 A899V769-K886 CarbonylContact O-C 3.49Å; V769-K886 WeakPolarHBondContact O-CA 3.19Å; K886-S895 VanDerWaalsContact O-CB 3.22Å; K886-S895 WeakPolarHBondContact O-CB 3.47Å; K886-S895 PolarHBondContact O-N 3.15Å; K886-S895 PolarHBondContact O-OG 2.93Å; K886-Q897 HydrophobicContact CD-CB 4.18Å; K886-Q897 HydrophobicContact CG-CB 4.45Å; K886-Q897 PolarHBondContact N-O 3.11Å; K886-A899 HydrophobicContact CG-CB 3.65Å
887V74.5Confident73.4Confident44 Ų4455.3 Ų55.327%0.26734%0.338SS..EExtended strand (participates in β ladder)trans-103.2128175.7-177.60000108.5V769 T891V769-V887 PolarHBondContact O-N 3.02Å; V887-T891 WeakPolarHBondContact CG1-O 3.44Å
888G58.6Low73.7Confident38 Ų3856.9 Ų56.939%0.39235%0.346SS..PPolyproline II helixtrans-70.6138.4178.100000111.5G890 T891G888-G890 PolarHBondContact O-N 2.98Å; G888-T891 PolarHBondContact O-N 2.87Å; G888-T891 VanDerWaalsContact O-N 3.13Å
889T49.5Very low73.5Confident156 Ų15658.6 Ų58.696%0.95736%0.361SS*.THydrogen-bonded Turntrans-54.9112.1175.745.20000110.6
890G50.5Low73.5Confident86 Ų8655.6 Ų55.689%0.88735%0.354SS*.THydrogen-bonded Turntrans98.7-5.3176.500000116.1G888G888-G890 PolarHBondContact O-N 2.98Å
891T45.1Very low73.9Confident69 Ų6957.3 Ų57.342%0.42336%0.363SS..  trans-123.6124172.561.20000109.6V887 G888 T893V887-T891 WeakPolarHBondContact CG1-O 3.44Å; G888-T891 PolarHBondContact O-N 2.87Å; G888-T891 VanDerWaalsContact O-N 3.13Å; T891-T893 PolarHBondContact O-N 3.36Å; T891-T893 PolarHBondContact OG1-OG1 3.41Å
892N48.8Very low74.1Confident175 Ų17558.5 Ų58.594%0.93637%0.366SS*.  trans-71.215174.6-86.8-4000113.1
893T53.3Low73.8Confident91 Ų9160.7 Ų60.756%0.55838%0.378SS*.SBendtrans-98.3120.5179.849.90000110T891 S895T891-T893 PolarHBondContact O-N 3.36Å; T891-T893 PolarHBondContact OG1-OG1 3.41Å; T893-S895 PolarHBondContact O-N 2.93Å
894A57.2Low73.5Confident41 Ų4165.5 Ų65.534%0.33940%0.396SS..EExtended strand (participates in β ladder)trans-58.5132173.100000111F885F885-A894 HydrophobicContact CB-CB 4.04Å
895S76.7Confident73Confident41 Ų4169.6 Ų69.629%0.28742%0.415SS..EExtended strand (participates in β ladder)trans-72.3175.5171.673.70000111.4Q783 F885 K886 T893 Q897Q783-S895 PolarHBondContact NE2-O 3.05Å; F885-S895 WeakPolarHBondContact CB-O 3.44Å; K886-S895 VanDerWaalsContact O-CB 3.22Å; K886-S895 WeakPolarHBondContact O-CB 3.47Å; K886-S895 PolarHBondContact O-N 3.15Å; K886-S895 PolarHBondContact O-OG 2.93Å; T893-S895 PolarHBondContact O-N 2.93Å; S895-Q897 VanDerWaalsContact C-N 3.29Å; S895-Q897 PolarHBondContact OG-N 3.03Å
896S80.4Confident72.4Confident42 Ų4273 Ų7329%0.29443%0.431SS..EExtended strand (participates in β ladder)trans-80.2-9.5171.156.60000113.4N786N786-S896 PolarHBondContact ND2-O 3.47Å
897Q83.9Confident72.4Confident112 Ų11269.5 Ų69.552%0.52342%0.421SS..EExtended strand (participates in β ladder)trans-80.7126.3-178.3-67.8-168.7-400111.5F885 K886 S895 A899F885-Q897 CarbonylContact C-O 3.26Å; F885-Q897 VanDerWaalsContact CA-O 3.31Å; F885-Q897 WeakPolarHBondContact CA-O 3.46Å; K886-Q897 HydrophobicContact CD-CB 4.18Å; K886-Q897 HydrophobicContact CG-CB 4.45Å; K886-Q897 PolarHBondContact N-O 3.11Å; S895-Q897 VanDerWaalsContact C-N 3.29Å; S895-Q897 PolarHBondContact OG-N 3.03Å; Q897-A899 PolarHBondContact O-N 2.84Å
898I89Confident72.9Confident42 Ų4268.1 Ų68.122%0.21541%0.411CS..EExtended strand (participates in β ladder)trans-70.3127.5174.2-61.7171.1000109.3N786 C787 A790 I883 F885 I901N786-I898 HydrophobicContact CB-CD1 4.3Å; N786-I898 WeakPolarHBondContact O-CD1 3.42Å; C787-I898 HydrophobicContact CB-CD1 4.45Å; A790-I898 HydrophobicContact CB-CD1 3.75Å; I883-I898 HydrophobicContact CG2-CD1 4.3Å; I883-I898 HydrophobicContact CG2-CG1 4.04Å; I883-I898 HydrophobicContact CG2-CG2 4.14Å; F885-I898 HydrophobicContact CD1-CG1 4.21Å; F885-I898 HydrophobicContact CE1-CG1 3.89Å; I898-I901 HydrophobicContact CG2-CG1 4.13Å
899A86.4Confident74.1Confident37 Ų3768.6 Ų68.631%0.30640%0.403SS..EExtended strand (participates in β ladder)trans-90.4-46.5172.200000111.2A770 L884 K886 Q897A770-A899 HydrophobicContact CB-CB 3.44Å; A770-A899 VanDerWaalsContact CB-CB 3.44Å; L884-A899 HydrophobicContact CB-CB 4.49Å; L884-A899 WeakPolarHBondContact O-CA 3.13Å; L884-A899 WeakPolarHBondContact O-CB 3.48Å; L884-A899 PolarHBondContact O-N 2.92Å; K886-A899 HydrophobicContact CG-CB 3.65Å; Q897-A899 PolarHBondContact O-N 2.84Å
900A86.7Confident75.8Confident24 Ų2461.2 Ų61.220%0.19836%0.358CS..EExtended strand (participates in β ladder)trans-157.3149178.800000111.4L766 L884 I902L766-A900 HydrophobicContact CD1-CB 3.62Å; L884-A900 HydrophobicContact CB-CB 4.42Å; L884-A900 HydrophobicContact CD1-CB 4.42Å; L884-A900 PolarHBondContact N-O 3.08Å; L884-A900 PolarHBondContact O-N 3.46Å; A900-I902 HydrophobicContact CB-CG2 4.32Å
901I90.3Very high77.3Confident37 Ų3757.5 Ų57.519%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-106.3126.4165.7-61.2163.1000106.1A790 Y878 I898 W904A790-I901 HydrophobicContact CB-CD1 4.04Å; Y878-I901 HydrophobicContact CD2-CG2 4.31Å; Y878-I901 HydrophobicContact CE2-CD1 3.92Å; Y878-I901 HydrophobicContact CE2-CG1 4.26Å; Y878-I901 HydrophobicContact CE2-CG2 3.95Å; I898-I901 HydrophobicContact CG2-CG1 4.13Å; I901-W904 HydrophobicContact CB-CZ2 3.99Å; I901-W904 HydrophobicContact CG2-CH2 4.48Å; I901-W904 HydrophobicContact CG2-CZ2 3.73Å; I901-W904 PolarHBondContact O-NE1 3.34Å
902I87Confident79.2Confident55 Ų5554.3 Ų54.328%0.28230%0.299SS..  trans-122.1173-173.761.5169.1000110.3H875 N882 L884 A900H875-I902 PolarHBondContact NE2-O 3.31Å; H875-I902 VanDerWaalsContact NE2-O 3.15Å; N882-I902 WeakPolarHBondContact O-CG1 3.26Å; N882-I902 PolarHBondContact O-N 2.77Å; L884-I902 HydrophobicContact CD1-CD1 4.36Å; L884-I902 HydrophobicContact CD1-CG2 4.24Å; L884-I902 HydrophobicContact CD2-CD1 4.48Å; L884-I902 HydrophobicContact CG-CD1 4.28Å; A900-I902 HydrophobicContact CB-CG2 4.32Å
903D81.3Confident80.8Confident57 Ų5746 Ų4631%0.30525%0.254SS..  trans63.559.3176-157.92.3000115H875 N882 Q905H875-D903 PolarHBondContact CE1-O 3.31Å; N882-D903 HydrophobicContact CB-CB 4.41Å; D903-Q905 VanDerWaalsContact CG-NE2 3.29Å; D903-Q905 PolarHBondContact O-N 3.42Å; D903-Q905 WeakPolarHBondContact OD1-CG 3.17Å; D903-Q905 PolarHBondContact OD1-NE2 2.97Å; D903-Q905 PolarHBondContact OD2-NE2 3.48Å; D903-Q905 VanDerWaalsContact OD2-NE2 3.07Å
904W84.7Confident82.3Confident102 Ų10243.9 Ų43.939%0.38624%0.238SC..G310 helixtrans-8118.6179.7-64.380.9000113.7L794 H875 I901 M906 A907L794-W904 HydrophobicContact CD1-CH2 3.86Å; L794-W904 HydrophobicContact CD1-CZ3 4.2Å; L794-W904 HydrophobicContact CD2-CH2 3.57Å; L794-W904 HydrophobicContact CD2-CZ3 3.54Å; L794-W904 HydrophobicContact CG-CH2 4.3Å; L794-W904 HydrophobicContact CG-CZ3 4.5Å; H875-W904 HydrophobicContact CB-CE3 4.43Å; H875-W904 HydrophobicContact CB-CZ3 4.22Å; H875-W904 AromaticContact CD2-CD2 3.52Å; H875-W904 AromaticContact CD2-CE2 3.73Å; H875-W904 AromaticContact CD2-CE3 3.45Å; H875-W904 VanDerWaalsContact CD2-CE3 3.45Å; H875-W904 AromaticContact CD2-CH2 3.87Å; H875-W904 AromaticContact CD2-CZ2 3.92Å; H875-W904 AromaticContact CD2-CZ3 3.63Å; H875-W904 AromaticContact NE2-CD2 3.88Å; I901-W904 HydrophobicContact CB-CZ2 3.99Å; I901-W904 HydrophobicContact CG2-CH2 4.48Å; I901-W904 HydrophobicContact CG2-CZ2 3.73Å; I901-W904 PolarHBondContact O-NE1 3.34Å; W904-M906 PolarHBondContact O-N 3.14Å; W904-A907 HydrophobicContact CE3-CB 4.39Å; W904-A907 VanDerWaalsContact O-CB 3.26Å; W904-A907 WeakPolarHBondContact O-CB 3.5Å; W904-A907 PolarHBondContact O-N 2.97Å; W904-A907 VanDerWaalsContact O-N 3.15Å
905Q75.7Confident83.8Confident117 Ų11741.9 Ų41.955%0.54722%0.222SC..G310 helixtrans-67.7-23.2-172.571.1-176.4-5000113.8D903D903-Q905 VanDerWaalsContact CG-NE2 3.29Å; D903-Q905 PolarHBondContact O-N 3.42Å; D903-Q905 WeakPolarHBondContact OD1-CG 3.17Å; D903-Q905 PolarHBondContact OD1-NE2 2.97Å; D903-Q905 PolarHBondContact OD2-NE2 3.48Å; D903-Q905 VanDerWaalsContact OD2-NE2 3.07Å
906M76.8Confident84.3Confident70 Ų7040 Ų4035%0.34521%0.208SC..G310 helixtrans-97.110.2178-65.1-61.8-68.200112.5Y813 H875 D877 W904 H908Y813-M906 HydrophobicContact CE2-CE 4.09Å; Y813-M906 WeakPolarHBondContact OH-CE 2.86Å; H875-M906 CarbonylContact O-C 3.56Å; D877-M906 HydrophobicContact CB-CB 4.2Å; D877-M906 HydrophobicContact CB-CG 4.08Å; W904-M906 PolarHBondContact O-N 3.14Å; M906-H908 PolarHBondContact O-N 3.27Å; M906-H908 PolarHBondContact O-ND1 3.4Å
907A84.4Confident84.2Confident24 Ų2438.3 Ų38.320%0.19820%0.197CC..  trans-65.3127.3-177.100000110.8L873 V874 H875 W904L873-A907 HydrophobicContact CD1-CB 4.44Å; V874-A907 CarbonylContact O-C 3.47Å; V874-A907 WeakPolarHBondContact O-CA 3.11Å; H875-A907 WeakPolarHBondContact O-CA 3.49Å; H875-A907 PolarHBondContact O-N 2.81Å; W904-A907 HydrophobicContact CE3-CB 4.39Å; W904-A907 VanDerWaalsContact O-CB 3.26Å; W904-A907 WeakPolarHBondContact O-CB 3.5Å; W904-A907 PolarHBondContact O-N 2.97Å; W904-A907 VanDerWaalsContact O-N 3.15Å
908H85.1Confident83.9Confident14 Ų1437 Ų377%0.06519%0.188CC..EExtended strand (participates in β ladder)trans-150.3168.4-175.265.5-80.9000110.8P810 V874 M906 E914P810-H908 WeakPolarHBondContact O-CB 3.36Å; V874-H908 WeakPolarHBondContact CB-O 3.47Å; V874-H908 VanDerWaalsContact CG1-CE1 3.48Å; V874-H908 WeakPolarHBondContact CG1-CE1 3.46Å; V874-H908 PolarHBondContact N-O 3.33Å; V874-H908 PolarHBondContact O-N 2.83Å; M906-H908 PolarHBondContact O-N 3.27Å; M906-H908 PolarHBondContact O-ND1 3.4Å; H908-E914 IonicContact CE1-OE2 2.9Å; H908-E914 IonicContact NE2-OE1 2.85Å; H908-E914 IonicContact NE2-OE2 3.19Å; H908-E914 PolarHBondContact NE2-OE2 3.48Å; H908-E914 VanDerWaalsContact NE2-OE2 3.09Å
909Q84Confident83.8Confident49 Ų4935 Ų3523%0.22918%0.177CC..EExtended strand (participates in β ladder)trans-82.3120.7171.1170.8-171.3-4.600108.7W805 A809 P810 D871W805-Q909 HydrophobicContact CH2-CB 4.25Å; W805-Q909 HydrophobicContact CH2-CG 4.07Å; W805-Q909 HydrophobicContact CZ3-CB 3.84Å; W805-Q909 HydrophobicContact CZ3-CG 4.18Å; A809-Q909 WeakPolarHBondContact O-CB 3.42Å; A809-Q909 PolarHBondContact O-N 3.14Å; P810-Q909 PolarHBondContact O-N 3.37Å; D871-Q909 HydrophobicContact CB-CG 3.51Å; D871-Q909 PolarHBondContact OD2-NE2 3.08Å
910G83.6Confident83.4Confident1 Ų133.3 Ų33.31%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-160.1-168.7-174.900000113.6D871 V872 V874D871-G910 WeakPolarHBondContact CA-O 3.49Å; V872-G910 PolarHBondContact N-O 3.46Å; V872-G910 PolarHBondContact O-N 3.12Å; V874-G910 VanDerWaalsContact CG2-C 3.5Å
911S83.7Confident82.6Confident8 Ų835.8 Ų35.86%0.05617%0.172CC..  trans-74.5139.8179.7172.60000110.8V874 A913 E914V874-S911 WeakPolarHBondContact CG2-O 3.35Å; S911-A913 PolarHBondContact O-N 3.07Å; S911-A913 PolarHBondContact OG-N 3.26Å; S911-E914 PolarHBondContact N-OE1 3.38Å; S911-E914 PolarHBondContact O-N 3.01Å; S911-E914 VanDerWaalsContact O-N 3.1Å
912F84.3Confident81.8Confident1 Ų139.1 Ų39.10%0.00419%0.186CC..THydrogen-bonded Turntrans-54.2-22.2173.969-92.3000114Q795 M869 V872 Y940 V960 V963 F964Q795-F912 PolarHBondContact NE2-O 2.94Å; M869-F912 HydrophobicContact CB-CD1 3.7Å; M869-F912 HydrophobicContact CB-CE1 3.85Å; M869-F912 HydrophobicContact CE-CD1 3.67Å; M869-F912 HydrophobicContact CE-CD2 3.87Å; M869-F912 HydrophobicContact CE-CE1 3.71Å; M869-F912 HydrophobicContact CE-CE2 3.93Å; M869-F912 HydrophobicContact CE-CG 3.76Å; M869-F912 HydrophobicContact CE-CZ 3.84Å; M869-F912 HydrophobicContact SD-CD1 4.28Å; M869-F912 HydrophobicContact SD-CG 4.47Å; V872-F912 HydrophobicContact CG2-CB 3.95Å; F912-Y940 WeakPolarHBondContact CB-OH 3.47Å; F912-Y940 AromaticContact CD2-CE1 3.73Å; F912-Y940 HydrophobicContact CD2-CE1 3.73Å; F912-Y940 HydrophobicContact CE2-CE1 4.42Å; F912-Y940 HydrophobicContact CG-CE1 4.47Å; F912-V960 HydrophobicContact CE2-CG1 3.64Å; F912-V960 HydrophobicContact CZ-CB 4.43Å; F912-V960 HydrophobicContact CZ-CG1 4.02Å; F912-V960 HydrophobicContact CZ-CG2 4.35Å; F912-V963 HydrophobicContact CE1-CG1 4.25Å; F912-V963 HydrophobicContact CE2-CG1 4.48Å; F912-V963 HydrophobicContact CZ-CB 3.95Å; F912-V963 HydrophobicContact CZ-CG1 3.8Å; F912-V963 HydrophobicContact CZ-CG2 4.27Å; F912-F964 AromaticContact CD2-CE2 3.92Å; F912-F964 HydrophobicContact CD2-CE2 3.92Å; F912-F964 HydrophobicContact CD2-CZ 4.17Å; F912-F964 HydrophobicContact CE2-CD2 4.04Å; F912-F964 AromaticContact CE2-CE2 3.5Å; F912-F964 HydrophobicContact CE2-CE2 3.5Å; F912-F964 VanDerWaalsContact CE2-CE2 3.5Å; F912-F964 HydrophobicContact CE2-CZ 4.14Å
913A83.1Confident81.6Confident0 Ų036.7 Ų36.70%017%0.173CC..Hα-helixtrans-77.4-22.7-177.700000113.9S911 I916 C917 V963 F964S911-A913 PolarHBondContact O-N 3.07Å; S911-A913 PolarHBondContact OG-N 3.26Å; A913-I916 PolarHBondContact O-N 2.91Å; A913-C917 WeakPolarHBondContact O-CB 3.36Å; A913-C917 PolarHBondContact O-N 2.73Å; A913-C917 PolarHBondContact O-SG 2.84Å; A913-V963 HydrophobicContact CB-CG1 3.91Å; A913-F964 VanDerWaalsContact CA-CE1 3.49Å; A913-F964 HydrophobicContact CB-CD1 3.91Å; A913-F964 HydrophobicContact CB-CE1 3.65Å; A913-F964 HydrophobicContact CB-CE2 4.32Å; A913-F964 HydrophobicContact CB-CG 4.33Å; A913-F964 HydrophobicContact CB-CZ 3.88Å; A913-F964 WeakPolarHBondContact O-CE1 3.47Å
914E83.2Confident81.4Confident47 Ų4734.2 Ų34.222%0.2216%0.161CC..Hα-helixtrans-62.6-53.7-167.9-68.2-176.9-130.200112.8F862 V874 H908 S911 I916 C917 Y918F862-E914 WeakPolarHBondContact CZ-OE1 3.37Å; V874-E914 HydrophobicContact CG1-CB 3.82Å; H908-E914 IonicContact CE1-OE2 2.9Å; H908-E914 IonicContact NE2-OE1 2.85Å; H908-E914 IonicContact NE2-OE2 3.19Å; H908-E914 PolarHBondContact NE2-OE2 3.48Å; H908-E914 VanDerWaalsContact NE2-OE2 3.09Å; S911-E914 PolarHBondContact N-OE1 3.38Å; S911-E914 PolarHBondContact O-N 3.01Å; S911-E914 VanDerWaalsContact O-N 3.1Å; E914-I916 VanDerWaalsContact C-N 3.31Å; E914-I916 PolarHBondContact O-N 2.82Å; E914-C917 PolarHBondContact O-N 3.08Å; E914-Y918 WeakPolarHBondContact O-CB 3.4Å; E914-Y918 PolarHBondContact O-N 3.31Å
915D89Confident80.8Confident0 Ų032 Ų320%016%0.156CC..Hα-helixtrans-61.8-38.7-178.2-72.6-37.1000112.7I791 V874 H875 G876 Y878 Y918 L919I791-D915 HydrophobicContact CD1-CB 4.19Å; I791-D915 WeakPolarHBondContact CD1-OD2 3.4Å; I791-D915 HydrophobicContact CG1-CB 3.85Å; V874-D915 WeakPolarHBondContact CA-OD2 3.19Å; V874-D915 WeakPolarHBondContact CG1-OD1 3.24Å; H875-D915 WeakPolarHBondContact CA-OD1 3.48Å; H875-D915 WeakPolarHBondContact CB-OD1 3.47Å; H875-D915 VanDerWaalsContact N-CG 3.32Å; H875-D915 PolarHBondContact N-OD1 2.9Å; H875-D915 PolarHBondContact N-OD2 3.23Å; G876-D915 PolarHBondContact N-OD1 3.48Å; Y878-D915 WeakPolarHBondContact CB-OD1 3.27Å; Y878-D915 HydrophobicContact CD1-CB 3.97Å; Y878-D915 HydrophobicContact CG-CB 4.06Å; D915-Y918 PolarHBondContact O-N 3.19Å; D915-L919 VanDerWaalsContact O-CB 3.25Å; D915-L919 WeakPolarHBondContact O-CB 3.21Å; D915-L919 PolarHBondContact O-N 2.99Å
916I87.1Confident80Confident0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-71.4-40.9179.1-70.4167.7000110.2V788 I791 A913 E914 Y918 V920 Y940 F964V788-I916 HydrophobicContact CG1-CD1 4.46Å; I791-I916 HydrophobicContact CG2-CD1 4.25Å; I791-I916 HydrophobicContact CG2-CG1 4.01Å; A913-I916 PolarHBondContact O-N 2.91Å; E914-I916 VanDerWaalsContact C-N 3.31Å; E914-I916 PolarHBondContact O-N 2.82Å; I916-Y918 VanDerWaalsContact C-N 3.34Å; I916-V920 HydrophobicContact CG2-CG2 4.34Å; I916-V920 VanDerWaalsContact O-CB 3.32Å; I916-V920 WeakPolarHBondContact O-CB 3.45Å; I916-V920 WeakPolarHBondContact O-CG2 3.42Å; I916-V920 PolarHBondContact O-N 3.39Å; I916-Y940 HydrophobicContact CD1-CD1 4.12Å; I916-Y940 HydrophobicContact CD1-CD2 3.25Å; I916-Y940 HydrophobicContact CD1-CE2 3.68Å; I916-Y940 HydrophobicContact CD1-CG 3.49Å; I916-Y940 VanDerWaalsContact CD1-CG 3.49Å; I916-F964 HydrophobicContact CB-CE1 3.59Å; I916-F964 HydrophobicContact CB-CZ 3.82Å; I916-F964 HydrophobicContact CD1-CE1 4.46Å; I916-F964 HydrophobicContact CD1-CZ 3.8Å; I916-F964 HydrophobicContact CG1-CZ 4.39Å; I916-F964 HydrophobicContact CG2-CD1 4.38Å; I916-F964 HydrophobicContact CG2-CE1 3.48Å; I916-F964 VanDerWaalsContact CG2-CE1 3.48Å; I916-F964 HydrophobicContact CG2-CZ 3.84Å
917C79.6Confident79.2Confident8 Ų827.1 Ų27.15%0.05414%0.135CC..Hα-helixtrans-59.8-46172.6-76.90000111A913 E914 V920 I921 T967A913-C917 WeakPolarHBondContact O-CB 3.36Å; A913-C917 PolarHBondContact O-N 2.73Å; A913-C917 PolarHBondContact O-SG 2.84Å; E914-C917 PolarHBondContact O-N 3.08Å; C917-V920 PolarHBondContact O-N 3.05Å; C917-I921 WeakPolarHBondContact O-CB 3.46Å; C917-I921 WeakPolarHBondContact O-CD1 3.21Å; C917-I921 WeakPolarHBondContact O-CG1 3.4Å; C917-I921 PolarHBondContact O-N 3Å; C917-T967 HydrophobicContact CB-CG2 4.46Å
918Y77.3Confident78.6Confident84 Ų8427 Ų2733%0.32913%0.131SC..Hα-helixtrans-62.7-48.7179.5-145.3-85.9000111.7D877 R879 E914 D915 I916 V920 I921 F922D877-Y918 WeakPolarHBondContact OD1-CE1 3.4Å; R879-Y918 HydrophobicContact CB-CD1 4.48Å; E914-Y918 WeakPolarHBondContact O-CB 3.4Å; E914-Y918 PolarHBondContact O-N 3.31Å; D915-Y918 PolarHBondContact O-N 3.19Å; I916-Y918 VanDerWaalsContact C-N 3.34Å; Y918-V920 VanDerWaalsContact C-N 3.3Å; Y918-V920 PolarHBondContact O-N 3.25Å; Y918-I921 PolarHBondContact O-N 2.96Å; Y918-F922 AromaticContact CD1-CD2 3.46Å; Y918-F922 HydrophobicContact CD1-CD2 3.46Å; Y918-F922 VanDerWaalsContact CD1-CD2 3.46Å; Y918-F922 AromaticContact CD1-CE2 3.9Å; Y918-F922 HydrophobicContact CD1-CE2 3.9Å; Y918-F922 HydrophobicContact CD1-CG 4.41Å; Y918-F922 HydrophobicContact CD2-CD2 4.31Å; Y918-F922 HydrophobicContact CD2-CE2 4.01Å; Y918-F922 AromaticContact CE1-CD2 3.38Å; Y918-F922 HydrophobicContact CE1-CD2 3.38Å; Y918-F922 AromaticContact CE1-CE2 3.54Å; Y918-F922 HydrophobicContact CE1-CE2 3.54Å; Y918-F922 HydrophobicContact CE1-CG 4.21Å; Y918-F922 HydrophobicContact CE1-CZ 4.45Å; Y918-F922 HydrophobicContact CE2-CD2 4.26Å; Y918-F922 AromaticContact CE2-CE2 3.67Å; Y918-F922 HydrophobicContact CE2-CE2 3.67Å; Y918-F922 AromaticContact CG-CD2 3.93Å; Y918-F922 HydrophobicContact CG-CD2 3.93Å; Y918-F922 HydrophobicContact CG-CE2 4.11Å; Y918-F922 AromaticContact CZ-CD2 3.81Å; Y918-F922 AromaticContact CZ-CE2 3.42Å; Y918-F922 VanDerWaalsContact CZ-CE2 3.42Å; Y918-F922 WeakPolarHBondContact O-CD2 3.36Å; Y918-F922 PolarHBondContact O-N 3.27Å
919L86.4Confident77.7Confident0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-54.9-49.2176.1-17671.1000110.8L779 L784 C787 V788 Y878 I883 D915 S923 V924L779-L919 HydrophobicContact CD1-CD1 3.67Å; L779-L919 HydrophobicContact CD1-CG 4.17Å; L784-L919 HydrophobicContact CD1-CD2 3.6Å; L784-L919 HydrophobicContact CD1-CG 4.23Å; C787-L919 HydrophobicContact CB-CD1 4.45Å; C787-L919 HydrophobicContact CB-CD2 3.65Å; V788-L919 HydrophobicContact CG2-CD2 4.37Å; Y878-L919 HydrophobicContact CD1-CB 3.98Å; Y878-L919 HydrophobicContact CD1-CD1 4.17Å; Y878-L919 HydrophobicContact CD1-CD2 4.19Å; Y878-L919 HydrophobicContact CD1-CG 4.35Å; Y878-L919 HydrophobicContact CE1-CD1 4.25Å; Y878-L919 HydrophobicContact CE1-CD2 3.91Å; Y878-L919 HydrophobicContact CE1-CG 4.48Å; Y878-L919 WeakPolarHBondContact O-CA 3.29Å; Y878-L919 WeakPolarHBondContact O-CB 3.49Å; Y878-L919 PolarHBondContact O-N 3.15Å; Y878-L919 VanDerWaalsContact O-N 3.12Å; I883-L919 HydrophobicContact CD1-CD1 3.85Å; D915-L919 VanDerWaalsContact O-CB 3.25Å; D915-L919 WeakPolarHBondContact O-CB 3.21Å; D915-L919 PolarHBondContact O-N 2.99Å; L919-S923 WeakPolarHBondContact O-CA 3.5Å; L919-S923 WeakPolarHBondContact O-CB 2.87Å; L919-S923 PolarHBondContact O-N 3.27Å; L919-S923 PolarHBondContact O-OG 3.22Å; L919-V924 PolarHBondContact O-N 3.24Å
920V78.9Confident76.5Confident1 Ų131.1 Ų31.11%0.00614%0.144CC..Hα-helixtrans-74.6-30.2-174.2179.20000112.2L784 I916 C917 Y918 V924 R929 M933L784-V920 HydrophobicContact CD1-CG2 4.22Å; I916-V920 HydrophobicContact CG2-CG2 4.34Å; I916-V920 VanDerWaalsContact O-CB 3.32Å; I916-V920 WeakPolarHBondContact O-CB 3.45Å; I916-V920 WeakPolarHBondContact O-CG2 3.42Å; I916-V920 PolarHBondContact O-N 3.39Å; C917-V920 PolarHBondContact O-N 3.05Å; Y918-V920 VanDerWaalsContact C-N 3.3Å; Y918-V920 PolarHBondContact O-N 3.25Å; V920-V924 HydrophobicContact CB-CG2 4.39Å; V920-V924 HydrophobicContact CG1-CB 4.22Å; V920-V924 HydrophobicContact CG1-CG2 4.47Å; V920-V924 HydrophobicContact CG2-CG2 4.24Å; V920-R929 HydrophobicContact CG1-CB 3.71Å; V920-R929 HydrophobicContact CG1-CG 3.29Å; V920-R929 WeakPolarHBondContact O-CD 3.42Å; V920-M933 HydrophobicContact CB-CE 3.87Å; V920-M933 HydrophobicContact CB-SD 4.4Å; V920-M933 HydrophobicContact CG1-CE 3.18Å; V920-M933 HydrophobicContact CG1-SD 4.01Å; V920-M933 HydrophobicContact CG2-CE 4.29Å; V920-M933 HydrophobicContact CG2-SD 4.18Å
921I69.7Low75.5Confident77 Ų7732.9 Ų32.940%0.39516%0.156SC..Hα-helixtrans-70.9-46.7176.2-72.5167.6000111.3C917 Y918 R929 L968C917-I921 WeakPolarHBondContact O-CB 3.46Å; C917-I921 WeakPolarHBondContact O-CD1 3.21Å; C917-I921 WeakPolarHBondContact O-CG1 3.4Å; C917-I921 PolarHBondContact O-N 3Å; Y918-I921 PolarHBondContact O-N 2.96Å; I921-R929 PolarHBondContact O-NH1 2.61Å; I921-L968 HydrophobicContact CD1-CD2 4.18Å; I921-L968 HydrophobicContact CG1-CD2 4.22Å
922F73.3Confident75.1Confident107 Ų10735 Ų3547%0.46916%0.164SC..Hα-helixtrans-97.6-20.7-169.4-70.3-75.7000115R879 Y918R879-F922 HydrophobicContact CB-CB 4.31Å; Y918-F922 AromaticContact CD1-CD2 3.46Å; Y918-F922 HydrophobicContact CD1-CD2 3.46Å; Y918-F922 VanDerWaalsContact CD1-CD2 3.46Å; Y918-F922 AromaticContact CD1-CE2 3.9Å; Y918-F922 HydrophobicContact CD1-CE2 3.9Å; Y918-F922 HydrophobicContact CD1-CG 4.41Å; Y918-F922 HydrophobicContact CD2-CD2 4.31Å; Y918-F922 HydrophobicContact CD2-CE2 4.01Å; Y918-F922 AromaticContact CE1-CD2 3.38Å; Y918-F922 HydrophobicContact CE1-CD2 3.38Å; Y918-F922 AromaticContact CE1-CE2 3.54Å; Y918-F922 HydrophobicContact CE1-CE2 3.54Å; Y918-F922 HydrophobicContact CE1-CG 4.21Å; Y918-F922 HydrophobicContact CE1-CZ 4.45Å; Y918-F922 HydrophobicContact CE2-CD2 4.26Å; Y918-F922 AromaticContact CE2-CE2 3.67Å; Y918-F922 HydrophobicContact CE2-CE2 3.67Å; Y918-F922 AromaticContact CG-CD2 3.93Å; Y918-F922 HydrophobicContact CG-CD2 3.93Å; Y918-F922 HydrophobicContact CG-CE2 4.11Å; Y918-F922 AromaticContact CZ-CD2 3.81Å; Y918-F922 AromaticContact CZ-CE2 3.42Å; Y918-F922 VanDerWaalsContact CZ-CE2 3.42Å; Y918-F922 WeakPolarHBondContact O-CD2 3.36Å; Y918-F922 PolarHBondContact O-N 3.27Å
923S82.6Confident74.9Confident3 Ų335.9 Ų35.92%0.02117%0.168CC..Hα-helixtrans-122.3-12.3-166.8-43.50000114.1G778 L779 R879 A880 L919G778-S923 CarbonylContact C-O 3.52Å; G778-S923 VanDerWaalsContact CA-O 3.31Å; G778-S923 WeakPolarHBondContact CA-O 3.45Å; L779-S923 WeakPolarHBondContact CG-O 2.97Å; L779-S923 PolarHBondContact N-O 3.41Å; R879-S923 VanDerWaalsContact CA-OG 3.23Å; R879-S923 WeakPolarHBondContact CA-OG 3.4Å; R879-S923 WeakPolarHBondContact CB-OG 3.32Å; A880-S923 PolarHBondContact N-OG 3.12Å; L919-S923 WeakPolarHBondContact O-CA 3.5Å; L919-S923 WeakPolarHBondContact O-CB 2.87Å; L919-S923 PolarHBondContact O-N 3.27Å; L919-S923 PolarHBondContact O-OG 3.22Å
924V77.3Confident74.9Confident6 Ų640.3 Ų40.34%0.03619%0.188CC..SBendtrans-112.9129-176.8-178.50000108L779 L784 L919 V920 I926 L928 R929L779-V924 HydrophobicContact CD1-CG2 4.38Å; L784-V924 HydrophobicContact CD1-CG2 3.61Å; L784-V924 HydrophobicContact CD2-CG1 4.01Å; L784-V924 HydrophobicContact CD2-CG2 3.83Å; L784-V924 HydrophobicContact CG-CG2 4.24Å; L919-V924 PolarHBondContact O-N 3.24Å; V920-V924 HydrophobicContact CB-CG2 4.39Å; V920-V924 HydrophobicContact CG1-CB 4.22Å; V920-V924 HydrophobicContact CG1-CG2 4.47Å; V920-V924 HydrophobicContact CG2-CG2 4.24Å; V924-I926 PolarHBondContact O-N 3.24Å; V924-L928 HydrophobicContact CG1-CB 3.7Å; V924-L928 HydrophobicContact CG1-CD2 3.93Å; V924-L928 HydrophobicContact CG1-CG 3.79Å; V924-R929 HydrophobicContact CB-CB 4.43Å; V924-R929 HydrophobicContact CG1-CB 3.92Å; V924-R929 VanDerWaalsContact CG1-N 3.3Å
925N70.7Confident75Confident56 Ų5640.2 Ų40.230%0.29919%0.192SC..  trans-59.7141.117874.928000110.4G927 L928 R929N925-G927 VanDerWaalsContact C-N 3.31Å; N925-G927 PolarHBondContact O-N 3.04Å; N925-G927 PolarHBondContact OD1-N 3.14Å; N925-G927 VanDerWaalsContact OD1-N 3.15Å; N925-L928 PolarHBondContact O-N 3.25Å; N925-L928 VanDerWaalsContact O-N 3.15Å; N925-L928 VanDerWaalsContact OD1-CB 3.26Å; N925-L928 WeakPolarHBondContact OD1-CB 3.37Å; N925-L928 PolarHBondContact OD1-N 3.18Å; N925-R929 WeakPolarHBondContact O-CB 3.17Å; N925-R929 PolarHBondContact O-N 3.15Å
926I59.9Low74.9Confident81 Ų8140.3 Ų40.342%0.41519%0.193SC..Hα-helix37.8-94.8125.6-78.1171.2000117V924 R930V924-I926 PolarHBondContact O-N 3.24Å; I926-R930 VanDerWaalsContact CD1-NH1 3.35Å; I926-R930 VanDerWaalsContact CD1-NH2 3.26Å; I926-R930 VanDerWaalsContact CG1-CZ 3.49Å; I926-R930 WeakPolarHBondContact O-CG 3.49Å
927G59.8Low74.9Confident3 Ų340.3 Ų40.33%0.03119%0.193CC..Hα-helixtrans-76.9-45.2-172.700000114.8N925 R930 S931N925-G927 VanDerWaalsContact C-N 3.31Å; N925-G927 PolarHBondContact O-N 3.04Å; N925-G927 PolarHBondContact OD1-N 3.14Å; N925-G927 VanDerWaalsContact OD1-N 3.15Å; G927-R930 PolarHBondContact O-N 3.34Å; G927-S931 VanDerWaalsContact O-CB 3.31Å; G927-S931 WeakPolarHBondContact O-CB 3.46Å; G927-S931 PolarHBondContact O-N 2.96Å; G927-S931 PolarHBondContact O-OG 3.43Å
928L71.6Confident75.5Confident20 Ų2044.7 Ų44.711%0.10521%0.208CC..Hα-helixtrans-66.2-43.5-178.1-176.562.2000110.1L779 E781 L784 V924 N925 R930 S931 K932L779-L928 VanDerWaalsContact O-CD2 3.25Å; L779-L928 WeakPolarHBondContact O-CD2 3.29Å; E781-L928 HydrophobicContact CB-CD1 4.08Å; E781-L928 HydrophobicContact CB-CD2 4.5Å; E781-L928 HydrophobicContact CG-CD1 4.42Å; L784-L928 HydrophobicContact CD2-CD2 4.04Å; L784-L928 HydrophobicContact CD2-CG 4.14Å; V924-L928 HydrophobicContact CG1-CB 3.7Å; V924-L928 HydrophobicContact CG1-CD2 3.93Å; V924-L928 HydrophobicContact CG1-CG 3.79Å; N925-L928 PolarHBondContact O-N 3.25Å; N925-L928 VanDerWaalsContact O-N 3.15Å; N925-L928 VanDerWaalsContact OD1-CB 3.26Å; N925-L928 WeakPolarHBondContact OD1-CB 3.37Å; N925-L928 PolarHBondContact OD1-N 3.18Å; L928-R930 VanDerWaalsContact C-N 3.26Å; L928-R930 PolarHBondContact O-N 3.02Å; L928-S931 WeakPolarHBondContact CA-OG 3.45Å; L928-S931 PolarHBondContact O-N 3.23Å; L928-S931 PolarHBondContact O-OG 3.02Å; L928-K932 HydrophobicContact CD1-CB 4.2Å; L928-K932 HydrophobicContact CD1-CG 3.66Å; L928-K932 WeakPolarHBondContact O-CB 3.38Å; L928-K932 PolarHBondContact O-N 2.89Å
929R65.9Low76.2Confident58 Ų5842.4 Ų42.422%0.21920%0.201CC..Hα-helixtrans-50.8-49.9173.2169.7161.986.4-156.312.2110.6V920 I921 V924 N925 M933V920-R929 HydrophobicContact CG1-CB 3.71Å; V920-R929 HydrophobicContact CG1-CG 3.29Å; V920-R929 WeakPolarHBondContact O-CD 3.42Å; I921-R929 PolarHBondContact O-NH1 2.61Å; V924-R929 HydrophobicContact CB-CB 4.43Å; V924-R929 HydrophobicContact CG1-CB 3.92Å; V924-R929 VanDerWaalsContact CG1-N 3.3Å; N925-R929 WeakPolarHBondContact O-CB 3.17Å; N925-R929 PolarHBondContact O-N 3.15Å; R929-M933 HydrophobicContact CG-CE 3.97Å; R929-M933 WeakPolarHBondContact O-CB 3.35Å; R929-M933 PolarHBondContact O-N 3.43Å
930R59.9Low76.5Confident92 Ų9242.4 Ų42.435%0.34720%0.201SC..Hα-helixtrans-78.3-38.9-172.9-68.7-178.6174.9144.9-7.9114I926 G927 L928 L1123I926-R930 VanDerWaalsContact CD1-NH1 3.35Å; I926-R930 VanDerWaalsContact CD1-NH2 3.26Å; I926-R930 VanDerWaalsContact CG1-CZ 3.49Å; I926-R930 WeakPolarHBondContact O-CG 3.49Å; G927-R930 PolarHBondContact O-N 3.34Å; L928-R930 VanDerWaalsContact C-N 3.26Å; L928-R930 PolarHBondContact O-N 3.02Å; R930-L1123 VanDerWaalsContact CD-CD2 3.43Å; R930-L1123 VanDerWaalsContact CZ-CG 3.46Å; R930-L1123 VanDerWaalsContact NH1-CG 3.28Å; R930-L1123 VanDerWaalsContact NH2-CD2 3.3Å
931S62.5Low77.1Confident38 Ų3843.2 Ų43.227%0.26620%0.204SC..Hα-helixtrans-73.7-28.9-179.557.10000113.1G927 L928 P1127G927-S931 VanDerWaalsContact O-CB 3.31Å; G927-S931 WeakPolarHBondContact O-CB 3.46Å; G927-S931 PolarHBondContact O-N 2.96Å; G927-S931 PolarHBondContact O-OG 3.43Å; L928-S931 WeakPolarHBondContact CA-OG 3.45Å; L928-S931 PolarHBondContact O-N 3.23Å; L928-S931 PolarHBondContact O-OG 3.02Å; S931-P1127 VanDerWaalsContact CB-CB 3.43Å
932K75.9Confident78.2Confident53 Ų5344.6 Ų44.623%0.2321%0.209CC..Hα-helixtrans-121.80.2-170.1-58.6-61.3-179115.20115.3E781 L928 K934 S935 V936E781-K932 IonicContact OE1-NZ 2.83Å; E781-K932 PolarHBondContact OE1-NZ 3.14Å; E781-K932 IonicContact OE2-NZ 3.6Å; E781-K932 PolarHBondContact OE2-NZ 2.94Å; L928-K932 HydrophobicContact CD1-CB 4.2Å; L928-K932 HydrophobicContact CD1-CG 3.66Å; L928-K932 WeakPolarHBondContact O-CB 3.38Å; L928-K932 PolarHBondContact O-N 2.89Å; K932-K934 VanDerWaalsContact C-N 3.33Å; K932-K934 PolarHBondContact O-N 3.06Å; K932-S935 VanDerWaalsContact CA-OG 3.3Å; K932-S935 WeakPolarHBondContact CA-OG 3.22Å; K932-S935 WeakPolarHBondContact CB-OG 3.46Å; K932-S935 CarbonylContact O-C 3.39Å; K932-S935 PolarHBondContact O-N 3.22Å; K932-S935 VanDerWaalsContact O-N 3.08Å; K932-S935 PolarHBondContact O-OG 2.93Å; K932-V936 HydrophobicContact CB-CG2 4.18Å; K932-V936 WeakPolarHBondContact O-CB 3.37Å; K932-V936 VanDerWaalsContact O-CG2 3.26Å; K932-V936 WeakPolarHBondContact O-CG2 3.49Å; K932-V936 PolarHBondContact O-N 3.02Å
933M78.6Confident79.2Confident19 Ų1941.4 Ų41.49%0.09420%0.196CC..Hα-helixtrans-52.2-51.4-178.1-173.866.683.700112.1V920 R929 S935 V936 V937 W961 L968V920-M933 HydrophobicContact CB-CE 3.87Å; V920-M933 HydrophobicContact CB-SD 4.4Å; V920-M933 HydrophobicContact CG1-CE 3.18Å; V920-M933 HydrophobicContact CG1-SD 4.01Å; V920-M933 HydrophobicContact CG2-CE 4.29Å; V920-M933 HydrophobicContact CG2-SD 4.18Å; R929-M933 HydrophobicContact CG-CE 3.97Å; R929-M933 WeakPolarHBondContact O-CB 3.35Å; R929-M933 PolarHBondContact O-N 3.43Å; M933-S935 VanDerWaalsContact C-N 3.3Å; M933-S935 PolarHBondContact O-N 2.95Å; M933-V936 PolarHBondContact O-N 2.96Å; M933-V936 VanDerWaalsContact O-N 3.17Å; M933-V937 HydrophobicContact CG-CG2 4.33Å; M933-V937 WeakPolarHBondContact O-CG2 3.39Å; M933-V937 PolarHBondContact O-N 2.88Å; M933-V937 HydrophobicContact SD-CG2 4.29Å; M933-W961 HydrophobicContact CB-CH2 4.35Å; M933-W961 HydrophobicContact CB-CZ3 4.47Å; M933-W961 HydrophobicContact CG-CH2 3.9Å; M933-W961 HydrophobicContact CG-CZ3 3.78Å; M933-L968 HydrophobicContact CE-CD1 3.55Å; M933-L968 HydrophobicContact CE-CD2 4.4Å; M933-L968 HydrophobicContact SD-CD1 4.37Å
934K82.9Confident79.7Confident93 Ų9341.3 Ų41.340%0.40420%0.195SC..Hα-helixtrans-65.5-33.7-177.5-163.2166.9-171.7165.80112.5K932 R938 F957 W961K932-K934 VanDerWaalsContact C-N 3.33Å; K932-K934 PolarHBondContact O-N 3.06Å; K934-R938 VanDerWaalsContact O-CB 3.25Å; K934-R938 WeakPolarHBondContact O-CB 3.49Å; K934-R938 PolarHBondContact O-N 3.35Å; K934-F957 HydrophobicContact CG-CE1 4.42Å; K934-F957 HydrophobicContact CG-CZ 3.85Å; K934-W961 HydrophobicContact CB-CE3 4.34Å; K934-W961 HydrophobicContact CB-CH2 3.94Å; K934-W961 HydrophobicContact CB-CZ2 4.42Å; K934-W961 HydrophobicContact CB-CZ3 3.9Å; K934-W961 HydrophobicContact CD-CD2 4.4Å; K934-W961 HydrophobicContact CD-CZ2 4.32Å; K934-W961 HydrophobicContact CG-CD2 4.15Å; K934-W961 HydrophobicContact CG-CE3 4.01Å; K934-W961 HydrophobicContact CG-CH2 4.27Å; K934-W961 HydrophobicContact CG-CZ2 4.39Å; K934-W961 HydrophobicContact CG-CZ3 4.08Å
935S85.1Confident80.2Confident45 Ų4546.5 Ų46.532%0.31522%0.217SC..Hα-helixtrans-72.8-36.5173.650.10000112.4K932 M933 R938 H939K932-S935 VanDerWaalsContact CA-OG 3.3Å; K932-S935 WeakPolarHBondContact CA-OG 3.22Å; K932-S935 WeakPolarHBondContact CB-OG 3.46Å; K932-S935 CarbonylContact O-C 3.39Å; K932-S935 PolarHBondContact O-N 3.22Å; K932-S935 VanDerWaalsContact O-N 3.08Å; K932-S935 PolarHBondContact O-OG 2.93Å; M933-S935 VanDerWaalsContact C-N 3.3Å; M933-S935 PolarHBondContact O-N 2.95Å; S935-R938 PolarHBondContact O-N 3.48Å; S935-H939 WeakPolarHBondContact O-CB 3.44Å; S935-H939 PolarHBondContact O-N 2.99Å
936V87Confident81.2Confident3 Ų349.1 Ų49.12%0.01824%0.235CC..Hα-helixtrans-64.4-47.8175.3166.60000110.6L784 L785 V788 K932 M933 R938 H939 Y940L784-V936 HydrophobicContact CD2-CG2 3.74Å; L784-V936 HydrophobicContact CG-CG2 4.07Å; L785-V936 HydrophobicContact CD2-CG2 4.4Å; V788-V936 HydrophobicContact CB-CG1 4.44Å; V788-V936 HydrophobicContact CG1-CG1 4.32Å; V788-V936 HydrophobicContact CG2-CG1 3.48Å; V788-V936 VanDerWaalsContact CG2-CG1 3.48Å; K932-V936 HydrophobicContact CB-CG2 4.18Å; K932-V936 WeakPolarHBondContact O-CB 3.37Å; K932-V936 VanDerWaalsContact O-CG2 3.26Å; K932-V936 WeakPolarHBondContact O-CG2 3.49Å; K932-V936 PolarHBondContact O-N 3.02Å; M933-V936 PolarHBondContact O-N 2.96Å; M933-V936 VanDerWaalsContact O-N 3.17Å; V936-R938 VanDerWaalsContact C-N 3.27Å; V936-R938 PolarHBondContact O-N 2.69Å; V936-H939 WeakPolarHBondContact O-CB 3.36Å; V936-H939 PolarHBondContact O-N 2.59Å; V936-Y940 PolarHBondContact O-N 3.01Å
937V88.8Confident82.8Confident0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-63.9-34.6174.7175.40000111.3M933 Y940 F941 F957 V960 W961 F964M933-V937 HydrophobicContact CG-CG2 4.33Å; M933-V937 WeakPolarHBondContact O-CG2 3.39Å; M933-V937 PolarHBondContact O-N 2.88Å; M933-V937 HydrophobicContact SD-CG2 4.29Å; V937-Y940 WeakPolarHBondContact O-CB 3.48Å; V937-Y940 PolarHBondContact O-N 3.37Å; V937-F941 WeakPolarHBondContact O-CB 3.35Å; V937-F941 PolarHBondContact O-N 3.38Å; V937-F957 HydrophobicContact CG1-CE2 4.17Å; V937-V960 HydrophobicContact CG1-CG1 4.21Å; V937-W961 HydrophobicContact CB-CE3 4Å; V937-W961 HydrophobicContact CB-CZ3 4.22Å; V937-W961 HydrophobicContact CG1-CE3 4.02Å; V937-W961 HydrophobicContact CG2-CE3 4.1Å; V937-W961 HydrophobicContact CG2-CZ3 3.95Å; V937-F964 HydrophobicContact CB-CD2 4.22Å; V937-F964 HydrophobicContact CB-CE2 4.42Å; V937-F964 HydrophobicContact CG1-CD2 3.39Å; V937-F964 HydrophobicContact CG1-CE2 3.67Å; V937-F964 HydrophobicContact CG1-CG 4.19Å; V937-F964 HydrophobicContact CG2-CB 4.27Å; V937-F964 HydrophobicContact CG2-CD1 4.07Å; V937-F964 HydrophobicContact CG2-CD2 3.71Å; V937-F964 HydrophobicContact CG2-CE1 4.37Å; V937-F964 HydrophobicContact CG2-CE2 3.99Å; V937-F964 HydrophobicContact CG2-CG 3.75Å; V937-F964 HydrophobicContact CG2-CZ 4.32Å
938R91.3Very high84.3Confident99 Ų9948.4 Ų48.437%0.37423%0.231SC..Hα-helixtrans-68.1-41.9174.5-171.4177.8-63.8114.5-2.9112K934 S935 V936 Y940 F941 Q942 F957K934-R938 VanDerWaalsContact O-CB 3.25Å; K934-R938 WeakPolarHBondContact O-CB 3.49Å; K934-R938 PolarHBondContact O-N 3.35Å; S935-R938 PolarHBondContact O-N 3.48Å; V936-R938 VanDerWaalsContact C-N 3.27Å; V936-R938 PolarHBondContact O-N 2.69Å; R938-Y940 VanDerWaalsContact C-N 3.33Å; R938-F941 PolarHBondContact O-N 2.89Å; R938-Q942 WeakPolarHBondContact O-CG 3.2Å; R938-Q942 PolarHBondContact O-N 3.44Å; R938-F957 VanDerWaalsContact CA-CE2 3.47Å; R938-F957 HydrophobicContact CB-CD2 4.21Å; R938-F957 HydrophobicContact CB-CE2 3.57Å; R938-F957 HydrophobicContact CB-CZ 4.06Å; R938-F957 HydrophobicContact CG-CD2 4.27Å; R938-F957 HydrophobicContact CG-CE2 4.06Å
939H92.1Very high85Confident37 Ų3751.1 Ų51.117%0.17125%0.25CC..Hα-helixtrans-58.9-48.4174.4-168.367.8000110L785 E789 S935 V936 F941 Q942 Q943L785-H939 HydrophobicContact CD2-CB 4.1Å; E789-H939 VanDerWaalsContact CG-NE2 3.25Å; E789-H939 WeakPolarHBondContact CG-NE2 3.47Å; E789-H939 IonicContact OE1-CE1 3.17Å; E789-H939 PolarHBondContact OE1-CE1 3.06Å; E789-H939 IonicContact OE1-NE2 3.05Å; E789-H939 PolarHBondContact OE1-NE2 3.43Å; S935-H939 WeakPolarHBondContact O-CB 3.44Å; S935-H939 PolarHBondContact O-N 2.99Å; V936-H939 WeakPolarHBondContact O-CB 3.36Å; V936-H939 PolarHBondContact O-N 2.59Å; H939-F941 PolarHBondContact O-N 2.95Å; H939-Q942 PolarHBondContact O-N 3.36Å; H939-Q943 VanDerWaalsContact O-CG 3.28Å; H939-Q943 WeakPolarHBondContact O-CG 3.14Å; H939-Q943 PolarHBondContact O-N 3.27Å
940Y92.8Very high85.9Confident0 Ų054.3 Ų54.30%028%0.276CS..Hα-helixtrans-53-52.4172.2174.7-99.2000112.4V788 A792 Q795 M869 F912 I916 V936 V937 R938 Q942 Q943 M944 F964V788-Y940 HydrophobicContact CG1-CD2 4.28Å; V788-Y940 HydrophobicContact CG1-CG 4.48Å; A792-Y940 HydrophobicContact CB-CD2 3.76Å; A792-Y940 HydrophobicContact CB-CE2 3.84Å; Q795-Y940 PolarHBondContact OE1-OH 3.17Å; M869-Y940 HydrophobicContact CE-CE1 4.42Å; F912-Y940 WeakPolarHBondContact CB-OH 3.47Å; F912-Y940 AromaticContact CD2-CE1 3.73Å; F912-Y940 HydrophobicContact CD2-CE1 3.73Å; F912-Y940 HydrophobicContact CE2-CE1 4.42Å; F912-Y940 HydrophobicContact CG-CE1 4.47Å; I916-Y940 HydrophobicContact CD1-CD1 4.12Å; I916-Y940 HydrophobicContact CD1-CD2 3.25Å; I916-Y940 HydrophobicContact CD1-CE2 3.68Å; I916-Y940 HydrophobicContact CD1-CG 3.49Å; I916-Y940 VanDerWaalsContact CD1-CG 3.49Å; V936-Y940 PolarHBondContact O-N 3.01Å; V937-Y940 WeakPolarHBondContact O-CB 3.48Å; V937-Y940 PolarHBondContact O-N 3.37Å; R938-Y940 VanDerWaalsContact C-N 3.33Å; Y940-Q942 VanDerWaalsContact C-N 3.3Å; Y940-Q942 PolarHBondContact O-N 2.81Å; Y940-Q943 PolarHBondContact O-N 2.92Å; Y940-M944 HydrophobicContact CD1-CG 4.28Å; Y940-M944 HydrophobicContact CD2-CG 4.3Å; Y940-M944 HydrophobicContact CE1-CG 3.7Å; Y940-M944 HydrophobicContact CE2-CG 3.77Å; Y940-M944 HydrophobicContact CE2-SD 4.13Å; Y940-M944 VanDerWaalsContact CZ-CG 3.41Å; Y940-M944 WeakPolarHBondContact O-CG 3.27Å; Y940-M944 PolarHBondContact O-N 3.03Å; Y940-F964 HydrophobicContact CD1-CE2 4.42Å
941F92Very high87Confident18 Ų1852.5 Ų52.58%0.07927%0.272CS..Hα-helixtrans-58.2-41.2179.3179.4-98.2000112.4V937 R938 H939 M944 K945 M952 S956 F957 V960V937-F941 WeakPolarHBondContact O-CB 3.35Å; V937-F941 PolarHBondContact O-N 3.38Å; R938-F941 PolarHBondContact O-N 2.89Å; H939-F941 PolarHBondContact O-N 2.95Å; F941-M944 PolarHBondContact O-N 3.38Å; F941-K945 HydrophobicContact CE1-CD 4.25Å; F941-K945 WeakPolarHBondContact O-CB 3.2Å; F941-K945 PolarHBondContact O-N 3.43Å; F941-M952 HydrophobicContact CD2-CE 3.36Å; F941-M952 HydrophobicContact CE2-CE 3.27Å; F941-M952 HydrophobicContact CG-CE 4.28Å; F941-M952 HydrophobicContact CZ-CE 4.13Å; F941-S956 VanDerWaalsContact CE2-C 3.49Å; F941-F957 HydrophobicContact CB-CD2 4.07Å; F941-F957 HydrophobicContact CD1-CB 3.93Å; F941-F957 HydrophobicContact CD1-CD2 4.29Å; F941-F957 HydrophobicContact CE1-CB 3.91Å; F941-F957 HydrophobicContact CE2-CB 4.48Å; F941-F957 HydrophobicContact CG-CB 4.25Å; F941-F957 HydrophobicContact CG-CD2 4.13Å; F941-F957 HydrophobicContact CZ-CB 4.2Å; F941-V960 HydrophobicContact CD2-CB 4.15Å; F941-V960 HydrophobicContact CD2-CG1 4.34Å; F941-V960 HydrophobicContact CD2-CG2 3.87Å; F941-V960 HydrophobicContact CE2-CG2 4.08Å
942Q92.4Very high88Confident106 Ų10650.8 Ų50.850%0.49526%0.261SS..Hα-helixtrans-66.6-41.8177-74.1175.1-10.900112.5R938 H939 Y940 K945 T946R938-Q942 WeakPolarHBondContact O-CG 3.2Å; R938-Q942 PolarHBondContact O-N 3.44Å; H939-Q942 PolarHBondContact O-N 3.36Å; Y940-Q942 VanDerWaalsContact C-N 3.3Å; Y940-Q942 PolarHBondContact O-N 2.81Å; Q942-K945 PolarHBondContact O-N 2.95Å; Q942-T946 PolarHBondContact O-N 3.36Å; Q942-T946 PolarHBondContact O-OG1 3.02Å
943Q93.9Very high88.3Confident40 Ų4052.3 Ų52.319%0.18728%0.283CS..Hα-helixtrans-61.3-48.4174.7-67.4-66.6-34.900110.6E789 A792 H939 Y940 K945 T946 L947E789-Q943 HydrophobicContact CG-CG 4.04Å; A792-Q943 HydrophobicContact CB-CB 3.79Å; H939-Q943 VanDerWaalsContact O-CG 3.28Å; H939-Q943 WeakPolarHBondContact O-CG 3.14Å; H939-Q943 PolarHBondContact O-N 3.27Å; Y940-Q943 PolarHBondContact O-N 2.92Å; Q943-K945 PolarHBondContact O-N 3.46Å; Q943-T946 WeakPolarHBondContact O-CB 3.43Å; Q943-T946 PolarHBondContact O-N 3.44Å; Q943-T946 VanDerWaalsContact O-N 3.15Å; Q943-L947 WeakPolarHBondContact O-CB 3.49Å; Q943-L947 WeakPolarHBondContact O-CD1 3.43Å; Q943-L947 VanDerWaalsContact O-CG 3.26Å; Q943-L947 WeakPolarHBondContact O-CG 3.26Å; Q943-L947 PolarHBondContact O-N 3.07Å
944M92.2Very high88.1Confident0 Ų056.7 Ų56.70%032%0.315CS..Hα-helixtrans-60.3-44.5177-70-60.7-76.500112A792 Q795 A796 L799 M869 Y940 F941 T946 L947 V948 M952A792-M944 HydrophobicContact CB-CG 4.43Å; A792-M944 HydrophobicContact CB-SD 4.17Å; A792-M944 VanDerWaalsContact O-SD 3.39Å; Q795-M944 HydrophobicContact CB-CE 4.33Å; Q795-M944 HydrophobicContact CB-SD 4.43Å; A796-M944 HydrophobicContact CB-CE 4.49Å; A796-M944 HydrophobicContact CB-SD 4.04Å; L799-M944 HydrophobicContact CD1-CE 3.71Å; M869-M944 HydrophobicContact SD-CE 4.32Å; Y940-M944 HydrophobicContact CD1-CG 4.28Å; Y940-M944 HydrophobicContact CD2-CG 4.3Å; Y940-M944 HydrophobicContact CE1-CG 3.7Å; Y940-M944 HydrophobicContact CE2-CG 3.77Å; Y940-M944 HydrophobicContact CE2-SD 4.13Å; Y940-M944 VanDerWaalsContact CZ-CG 3.41Å; Y940-M944 WeakPolarHBondContact O-CG 3.27Å; Y940-M944 PolarHBondContact O-N 3.03Å; F941-M944 PolarHBondContact O-N 3.38Å; M944-T946 PolarHBondContact O-N 2.79Å; M944-L947 PolarHBondContact O-N 3.43Å; M944-V948 HydrophobicContact CB-CG2 4.46Å; M944-V948 HydrophobicContact CE-CG2 3.93Å; M944-V948 WeakPolarHBondContact O-CG2 3.41Å; M944-V948 PolarHBondContact O-N 3.42Å; M944-M952 HydrophobicContact CB-CE 3.93Å; M944-M952 HydrophobicContact CB-CG 4.19Å; M944-M952 HydrophobicContact CB-SD 4.01Å
945K89Confident87.9Confident116 Ų11652.9 Ų52.950%0.50430%0.301SS..Hα-helixtrans-61.5-32.3177.8-164.2173.9-174.7175.40112.8F941 Q942 Q943 P949 M952F941-K945 HydrophobicContact CE1-CD 4.25Å; F941-K945 WeakPolarHBondContact O-CB 3.2Å; F941-K945 PolarHBondContact O-N 3.43Å; Q942-K945 PolarHBondContact O-N 2.95Å; Q943-K945 PolarHBondContact O-N 3.46Å; K945-P949 VanDerWaalsContact O-CA 3.31Å; K945-P949 WeakPolarHBondContact O-CA 3.21Å; K945-P949 WeakPolarHBondContact O-CB 3.46Å; K945-M952 HydrophobicContact CB-CB 4.42Å; K945-M952 HydrophobicContact CG-CB 4.34Å
946T91.8Very high87.9Confident110 Ų11053.3 Ų53.368%0.67530%0.304SS*.Hα-helixtrans-75.1-41.5176.6-55.20000111.7Q942 Q943 M944Q942-T946 PolarHBondContact O-N 3.36Å; Q942-T946 PolarHBondContact O-OG1 3.02Å; Q943-T946 WeakPolarHBondContact O-CB 3.43Å; Q943-T946 PolarHBondContact O-N 3.44Å; Q943-T946 VanDerWaalsContact O-N 3.15Å; M944-T946 PolarHBondContact O-N 2.79Å
947L94.1Very high87.9Confident65 Ų6554.7 Ų54.734%0.3431%0.31SS..Hα-helixtrans-81.4-35.9-174.6-65.8164.4000113.1K793 A796 Q943 M944K793-L947 HydrophobicContact CB-CD1 4.48Å; K793-L947 HydrophobicContact CG-CD1 3.86Å; A796-L947 HydrophobicContact CB-CB 3.48Å; A796-L947 VanDerWaalsContact CB-CB 3.48Å; A796-L947 HydrophobicContact CB-CD1 3.8Å; A796-L947 HydrophobicContact CB-CG 4.24Å; Q943-L947 WeakPolarHBondContact O-CB 3.49Å; Q943-L947 WeakPolarHBondContact O-CD1 3.43Å; Q943-L947 VanDerWaalsContact O-CG 3.26Å; Q943-L947 WeakPolarHBondContact O-CG 3.26Å; Q943-L947 PolarHBondContact O-N 3.07Å; M944-L947 PolarHBondContact O-N 3.43Å
948V89.7Confident87.6Confident5 Ų559.8 Ų59.83%0.0334%0.337CS..  trans-132.360.6-177.7-74.70000112.5A796 L799 I800 M944 T950 I951 M952A796-V948 HydrophobicContact CB-CG1 3.96Å; A796-V948 HydrophobicContact CB-CG2 4.37Å; L799-V948 HydrophobicContact CB-CG1 4.19Å; L799-V948 HydrophobicContact CD1-CG2 4.17Å; I800-V948 HydrophobicContact CG2-CG1 3.32Å; M944-V948 HydrophobicContact CB-CG2 4.46Å; M944-V948 HydrophobicContact CE-CG2 3.93Å; M944-V948 WeakPolarHBondContact O-CG2 3.41Å; M944-V948 PolarHBondContact O-N 3.42Å; V948-T950 VanDerWaalsContact C-N 3.29Å; V948-T950 PolarHBondContact O-N 3.42Å; V948-I951 HydrophobicContact CB-CB 4.41Å; V948-I951 HydrophobicContact CB-CD1 4.49Å; V948-I951 HydrophobicContact CG1-CD1 4.49Å; V948-I951 PolarHBondContact O-N 3.1Å; V948-M952 HydrophobicContact CG2-CG 3.83Å; V948-M952 WeakPolarHBondContact O-CB 3.36Å; V948-M952 WeakPolarHBondContact O-CG 3.19Å; V948-M952 PolarHBondContact O-N 3.33Å
949P87.3Confident87.1Confident77 Ų7756.7 Ų56.750%0.533%0.331SS..THydrogen-bonded Turntrans-59.2-36-172.822.4-33.5000113.7K945 A953K945-P949 VanDerWaalsContact O-CA 3.31Å; K945-P949 WeakPolarHBondContact O-CA 3.21Å; K945-P949 WeakPolarHBondContact O-CB 3.46Å; P949-A953 PolarHBondContact O-N 3.35Å
950T84.4Confident86.7Confident125 Ų12554.9 Ų54.977%0.76732%0.322SS*.THydrogen-bonded Turntrans-68-37.9-178.3-42.30000112.6V948 A953V948-T950 VanDerWaalsContact C-N 3.29Å; V948-T950 PolarHBondContact O-N 3.42Å; T950-A953 VanDerWaalsContact O-CB 3.29Å; T950-A953 WeakPolarHBondContact O-CB 3.02Å
951I82.5Confident86.2Confident53 Ų5356.6 Ų56.627%0.27233%0.329SS..THydrogen-bonded Turntrans-77.7-40.4179.2-63.1172.9000109.7L799 P870 V948 A953L799-I951 HydrophobicContact CB-CD1 3.68Å; L799-I951 HydrophobicContact CD1-CD1 4.34Å; L799-I951 HydrophobicContact CD1-CG2 4.41Å; L799-I951 HydrophobicContact CD2-CD1 4.44Å; L799-I951 HydrophobicContact CG-CD1 4.38Å; P870-I951 HydrophobicContact CG-CG2 4.07Å; V948-I951 HydrophobicContact CB-CB 4.41Å; V948-I951 HydrophobicContact CB-CD1 4.49Å; V948-I951 HydrophobicContact CG1-CD1 4.49Å; V948-I951 PolarHBondContact O-N 3.1Å; I951-A953 PolarHBondContact O-N 3.41Å
952M84.1Confident85.5Confident3 Ų360.2 Ų60.22%0.01535%0.346CS..THydrogen-bonded Turntrans-73.4-0.8176.5-65.5-65.2-6900113.4M869 F941 M944 K945 V948 S954 A955M869-M952 HydrophobicContact CE-CE 4.3Å; M869-M952 HydrophobicContact CE-SD 4.07Å; M869-M952 HydrophobicContact CG-SD 4.16Å; M869-M952 HydrophobicContact SD-CE 4.41Å; M869-M952 HydrophobicContact SD-SD 3.44Å; F941-M952 HydrophobicContact CD2-CE 3.36Å; F941-M952 HydrophobicContact CE2-CE 3.27Å; F941-M952 HydrophobicContact CG-CE 4.28Å; F941-M952 HydrophobicContact CZ-CE 4.13Å; M944-M952 HydrophobicContact CB-CE 3.93Å; M944-M952 HydrophobicContact CB-CG 4.19Å; M944-M952 HydrophobicContact CB-SD 4.01Å; K945-M952 HydrophobicContact CB-CB 4.42Å; K945-M952 HydrophobicContact CG-CB 4.34Å; V948-M952 HydrophobicContact CG2-CG 3.83Å; V948-M952 WeakPolarHBondContact O-CB 3.36Å; V948-M952 WeakPolarHBondContact O-CG 3.19Å; V948-M952 PolarHBondContact O-N 3.33Å; M952-S954 VanDerWaalsContact C-N 3.27Å; M952-S954 PolarHBondContact O-N 3.38Å; M952-A955 HydrophobicContact CE-CB 4.22Å; M952-A955 PolarHBondContact O-N 2.99Å; M952-A955 HydrophobicContact SD-CB 4.22Å
953A81.5Confident84.6Confident84 Ų8455.4 Ų55.469%0.69432%0.324SS*.THydrogen-bonded Turntrans-63.5-32.3-178.300000112.7P949 T950 I951P949-A953 PolarHBondContact O-N 3.35Å; T950-A953 VanDerWaalsContact O-CB 3.29Å; T950-A953 WeakPolarHBondContact O-CB 3.02Å; I951-A953 PolarHBondContact O-N 3.41Å
954S75.6Confident83.5Confident111 Ų11153.5 Ų53.578%0.77632%0.315SS*.SBendtrans-92.5-17.7176.754.60000114M952M952-S954 VanDerWaalsContact C-N 3.27Å; M952-S954 PolarHBondContact O-N 3.38Å
955A78.7Confident82.3Confident13 Ų1356.9 Ų56.911%0.10733%0.33CS..  trans-84.9133-176.500000112M952M952-A955 HydrophobicContact CE-CB 4.22Å; M952-A955 PolarHBondContact O-N 2.99Å; M952-A955 HydrophobicContact SD-CB 4.22Å
956S85.2Confident81Confident55 Ų5556.1 Ų56.139%0.38533%0.327SS..  trans-98.9156.4171.276.40000111.2F941 D958 S959 V960F941-S956 VanDerWaalsContact CE2-C 3.49Å; S956-D958 PolarHBondContact O-N 2.87Å; S956-S959 PolarHBondContact N-OG 2.93Å; S956-S959 VanDerWaalsContact N-OG 3.08Å; S956-S959 PolarHBondContact O-N 2.95Å; S956-S959 PolarHBondContact O-OG 3.39Å; S956-S959 WeakPolarHBondContact OG-CB 3.36Å; S956-S959 PolarHBondContact OG-N 2.93Å; S956-S959 PolarHBondContact OG-OG 3.45Å; S956-V960 WeakPolarHBondContact O-CG2 3.44Å; S956-V960 PolarHBondContact O-N 3.07Å
957F86.5Confident79.1Confident31 Ų3153.6 Ų53.614%0.13631%0.312CS..Hα-helixtrans-60.1-38.3172.8168.9-103.4000111.3K934 V937 R938 F941 V960 W961K934-F957 HydrophobicContact CG-CE1 4.42Å; K934-F957 HydrophobicContact CG-CZ 3.85Å; V937-F957 HydrophobicContact CG1-CE2 4.17Å; R938-F957 VanDerWaalsContact CA-CE2 3.47Å; R938-F957 HydrophobicContact CB-CD2 4.21Å; R938-F957 HydrophobicContact CB-CE2 3.57Å; R938-F957 HydrophobicContact CB-CZ 4.06Å; R938-F957 HydrophobicContact CG-CD2 4.27Å; R938-F957 HydrophobicContact CG-CE2 4.06Å; F941-F957 HydrophobicContact CB-CD2 4.07Å; F941-F957 HydrophobicContact CD1-CB 3.93Å; F941-F957 HydrophobicContact CD1-CD2 4.29Å; F941-F957 HydrophobicContact CE1-CB 3.91Å; F941-F957 HydrophobicContact CE2-CB 4.48Å; F941-F957 HydrophobicContact CG-CB 4.25Å; F941-F957 HydrophobicContact CG-CD2 4.13Å; F941-F957 HydrophobicContact CZ-CB 4.2Å; F957-V960 PolarHBondContact O-N 3.35Å; F957-W961 HydrophobicContact CE1-CB 4.32Å; F957-W961 HydrophobicContact CZ-CB 4.2Å; F957-W961 VanDerWaalsContact O-CB 3.3Å; F957-W961 WeakPolarHBondContact O-CB 3.26Å; F957-W961 PolarHBondContact O-N 3.39Å
958D82.5Confident77.1Confident108 Ų10853.5 Ų53.558%0.57831%0.311SS*.Hα-helixtrans-67.9-39.8-177.8-65.2-43.3000112S956 V960 W961 H962S956-D958 PolarHBondContact O-N 2.87Å; D958-V960 VanDerWaalsContact C-N 3.34Å; D958-V960 PolarHBondContact O-N 2.81Å; D958-W961 PolarHBondContact O-N 3Å; D958-H962 WeakPolarHBondContact O-CB 3.48Å; D958-H962 PolarHBondContact O-N 2.85Å
959S80.5Confident74.9Confident33 Ų3358 Ų5823%0.23133%0.333CS..Hα-helixtrans-63.6-40.7173.951.20000111.8S956 H962 V963S956-S959 PolarHBondContact N-OG 2.93Å; S956-S959 VanDerWaalsContact N-OG 3.08Å; S956-S959 PolarHBondContact O-N 2.95Å; S956-S959 PolarHBondContact O-OG 3.39Å; S956-S959 WeakPolarHBondContact OG-CB 3.36Å; S956-S959 PolarHBondContact OG-N 2.93Å; S956-S959 PolarHBondContact OG-OG 3.45Å; S959-H962 PolarHBondContact O-N 2.88Å; S959-V963 WeakPolarHBondContact O-CG2 3.34Å; S959-V963 PolarHBondContact O-N 3.17Å
960V83.6Confident72.6Confident0 Ų060.5 Ų60.50%034%0.342CS..Hα-helixtrans-67.3-44176.1170.70000111.2V868 M869 F912 V937 F941 S956 F957 D958 H962 V963 F964V868-V960 HydrophobicContact CG1-CG2 3.89Å; M869-V960 HydrophobicContact CE-CG1 4.36Å; M869-V960 HydrophobicContact CE-CG2 3.6Å; F912-V960 HydrophobicContact CE2-CG1 3.64Å; F912-V960 HydrophobicContact CZ-CB 4.43Å; F912-V960 HydrophobicContact CZ-CG1 4.02Å; F912-V960 HydrophobicContact CZ-CG2 4.35Å; V937-V960 HydrophobicContact CG1-CG1 4.21Å; F941-V960 HydrophobicContact CD2-CB 4.15Å; F941-V960 HydrophobicContact CD2-CG1 4.34Å; F941-V960 HydrophobicContact CD2-CG2 3.87Å; F941-V960 HydrophobicContact CE2-CG2 4.08Å; S956-V960 WeakPolarHBondContact O-CG2 3.44Å; S956-V960 PolarHBondContact O-N 3.07Å; F957-V960 PolarHBondContact O-N 3.35Å; D958-V960 VanDerWaalsContact C-N 3.34Å; D958-V960 PolarHBondContact O-N 2.81Å; V960-H962 VanDerWaalsContact C-N 3.34Å; V960-H962 PolarHBondContact O-N 2.86Å; V960-V963 PolarHBondContact O-N 3Å; V960-F964 HydrophobicContact CG1-CD2 4.23Å; V960-F964 HydrophobicContact CG1-CE2 4.14Å; V960-F964 WeakPolarHBondContact O-CD2 3.34Å; V960-F964 PolarHBondContact O-N 3.17Å
961W83.2Confident70.6Confident36 Ų3660.8 Ų60.814%0.13634%0.335CS..Hα-helixtrans-60.5-42175.4173.7-105.2000112M933 K934 V937 F957 D958 V963 F964 E965M933-W961 HydrophobicContact CB-CH2 4.35Å; M933-W961 HydrophobicContact CB-CZ3 4.47Å; M933-W961 HydrophobicContact CG-CH2 3.9Å; M933-W961 HydrophobicContact CG-CZ3 3.78Å; K934-W961 HydrophobicContact CB-CE3 4.34Å; K934-W961 HydrophobicContact CB-CH2 3.94Å; K934-W961 HydrophobicContact CB-CZ2 4.42Å; K934-W961 HydrophobicContact CB-CZ3 3.9Å; K934-W961 HydrophobicContact CD-CD2 4.4Å; K934-W961 HydrophobicContact CD-CZ2 4.32Å; K934-W961 HydrophobicContact CG-CD2 4.15Å; K934-W961 HydrophobicContact CG-CE3 4.01Å; K934-W961 HydrophobicContact CG-CH2 4.27Å; K934-W961 HydrophobicContact CG-CZ2 4.39Å; K934-W961 HydrophobicContact CG-CZ3 4.08Å; V937-W961 HydrophobicContact CB-CE3 4Å; V937-W961 HydrophobicContact CB-CZ3 4.22Å; V937-W961 HydrophobicContact CG1-CE3 4.02Å; V937-W961 HydrophobicContact CG2-CE3 4.1Å; V937-W961 HydrophobicContact CG2-CZ3 3.95Å; F957-W961 HydrophobicContact CE1-CB 4.32Å; F957-W961 HydrophobicContact CZ-CB 4.2Å; F957-W961 VanDerWaalsContact O-CB 3.3Å; F957-W961 WeakPolarHBondContact O-CB 3.26Å; F957-W961 PolarHBondContact O-N 3.39Å; D958-W961 PolarHBondContact O-N 3Å; W961-V963 VanDerWaalsContact C-N 3.3Å; W961-V963 PolarHBondContact O-N 3.28Å; W961-F964 WeakPolarHBondContact O-CB 3.34Å; W961-F964 PolarHBondContact O-N 3.35Å; W961-F964 VanDerWaalsContact O-N 3.13Å; W961-E965 WeakPolarHBondContact O-CB 3.31Å; W961-E965 PolarHBondContact O-N 3.12Å
962H76.8Confident68.8Low94 Ų9463 Ų6344%0.43534%0.342SS..Hα-helixtrans-61.8-37.5179.7-172.363.7000112.5D958 S959 V960 E965 K966D958-H962 WeakPolarHBondContact O-CB 3.48Å; D958-H962 PolarHBondContact O-N 2.85Å; S959-H962 PolarHBondContact O-N 2.88Å; V960-H962 VanDerWaalsContact C-N 3.34Å; V960-H962 PolarHBondContact O-N 2.86Å; H962-E965 PolarHBondContact O-N 3.44Å; H962-K966 WeakPolarHBondContact NE2-CE 3.18Å; H962-K966 PolarHBondContact O-N 2.9Å
963V73.1Confident66.8Low5 Ų564 Ų643%0.0335%0.348CS..Hα-helixtrans-60.9-48.1172.8171.60000110.8Y865 V868 F912 A913 S959 V960 W961 E965 T967Y865-V963 HydrophobicContact CD1-CB 4.11Å; Y865-V963 HydrophobicContact CD1-CG1 3.48Å; Y865-V963 VanDerWaalsContact CD1-CG1 3.48Å; Y865-V963 HydrophobicContact CD1-CG2 3.85Å; Y865-V963 HydrophobicContact CE1-CB 4.4Å; Y865-V963 HydrophobicContact CE1-CG1 3.83Å; Y865-V963 HydrophobicContact CE1-CG2 4.48Å; Y865-V963 HydrophobicContact CG-CG1 3.85Å; V868-V963 HydrophobicContact CB-CG2 4.18Å; V868-V963 HydrophobicContact CG1-CG2 4.46Å; V868-V963 HydrophobicContact CG2-CG2 3.78Å; F912-V963 HydrophobicContact CE1-CG1 4.25Å; F912-V963 HydrophobicContact CE2-CG1 4.48Å; F912-V963 HydrophobicContact CZ-CB 3.95Å; F912-V963 HydrophobicContact CZ-CG1 3.8Å; F912-V963 HydrophobicContact CZ-CG2 4.27Å; A913-V963 HydrophobicContact CB-CG1 3.91Å; S959-V963 WeakPolarHBondContact O-CG2 3.34Å; S959-V963 PolarHBondContact O-N 3.17Å; V960-V963 PolarHBondContact O-N 3Å; W961-V963 VanDerWaalsContact C-N 3.3Å; W961-V963 PolarHBondContact O-N 3.28Å; V963-E965 VanDerWaalsContact C-N 3.34Å; V963-E965 PolarHBondContact O-N 3.4Å; V963-T967 PolarHBondContact O-N 3.5Å; V963-T967 VanDerWaalsContact O-N 3.14Å; V963-T967 PolarHBondContact O-OG1 2.78Å
964F71.3Confident64.9Low0 Ų062.4 Ų62.40%033%0.331CS..Hα-helixtrans-60.5-43.2176-84.4-73.2000112.3F912 A913 I916 V937 Y940 V960 W961 T967 L968F912-F964 AromaticContact CD2-CE2 3.92Å; F912-F964 HydrophobicContact CD2-CE2 3.92Å; F912-F964 HydrophobicContact CD2-CZ 4.17Å; F912-F964 HydrophobicContact CE2-CD2 4.04Å; F912-F964 AromaticContact CE2-CE2 3.5Å; F912-F964 HydrophobicContact CE2-CE2 3.5Å; F912-F964 VanDerWaalsContact CE2-CE2 3.5Å; F912-F964 HydrophobicContact CE2-CZ 4.14Å; A913-F964 VanDerWaalsContact CA-CE1 3.49Å; A913-F964 HydrophobicContact CB-CD1 3.91Å; A913-F964 HydrophobicContact CB-CE1 3.65Å; A913-F964 HydrophobicContact CB-CE2 4.32Å; A913-F964 HydrophobicContact CB-CG 4.33Å; A913-F964 HydrophobicContact CB-CZ 3.88Å; A913-F964 WeakPolarHBondContact O-CE1 3.47Å; I916-F964 HydrophobicContact CB-CE1 3.59Å; I916-F964 HydrophobicContact CB-CZ 3.82Å; I916-F964 HydrophobicContact CD1-CE1 4.46Å; I916-F964 HydrophobicContact CD1-CZ 3.8Å; I916-F964 HydrophobicContact CG1-CZ 4.39Å; I916-F964 HydrophobicContact CG2-CD1 4.38Å; I916-F964 HydrophobicContact CG2-CE1 3.48Å; I916-F964 VanDerWaalsContact CG2-CE1 3.48Å; I916-F964 HydrophobicContact CG2-CZ 3.84Å; V937-F964 HydrophobicContact CB-CD2 4.22Å; V937-F964 HydrophobicContact CB-CE2 4.42Å; V937-F964 HydrophobicContact CG1-CD2 3.39Å; V937-F964 HydrophobicContact CG1-CE2 3.67Å; V937-F964 HydrophobicContact CG1-CG 4.19Å; V937-F964 HydrophobicContact CG2-CB 4.27Å; V937-F964 HydrophobicContact CG2-CD1 4.07Å; V937-F964 HydrophobicContact CG2-CD2 3.71Å; V937-F964 HydrophobicContact CG2-CE1 4.37Å; V937-F964 HydrophobicContact CG2-CE2 3.99Å; V937-F964 HydrophobicContact CG2-CG 3.75Å; V937-F964 HydrophobicContact CG2-CZ 4.32Å; Y940-F964 HydrophobicContact CD1-CE2 4.42Å; V960-F964 HydrophobicContact CG1-CD2 4.23Å; V960-F964 HydrophobicContact CG1-CE2 4.14Å; V960-F964 WeakPolarHBondContact O-CD2 3.34Å; V960-F964 PolarHBondContact O-N 3.17Å; W961-F964 WeakPolarHBondContact O-CB 3.34Å; W961-F964 PolarHBondContact O-N 3.35Å; W961-F964 VanDerWaalsContact O-N 3.13Å; F964-T967 PolarHBondContact O-N 2.8Å; F964-L968 WeakPolarHBondContact O-CD1 3.3Å; F964-L968 PolarHBondContact O-N 2.96Å
965E66.9Low63.4Low70 Ų7059.4 Ų59.433%0.32732%0.318SS..Hα-helixtrans-63.5-49-178.9-173.6168.6-130.700112.2W961 H962 V963 T967 L968 M969W961-E965 WeakPolarHBondContact O-CB 3.31Å; W961-E965 PolarHBondContact O-N 3.12Å; H962-E965 PolarHBondContact O-N 3.44Å; V963-E965 VanDerWaalsContact C-N 3.34Å; V963-E965 PolarHBondContact O-N 3.4Å; E965-T967 VanDerWaalsContact C-N 3.27Å; E965-T967 PolarHBondContact O-N 3.24Å; E965-L968 PolarHBondContact O-N 3.05Å; E965-L968 VanDerWaalsContact O-N 3.09Å; E965-M969 HydrophobicContact CG-CE 4.16Å; E965-M969 PolarHBondContact O-N 2.96Å
966K61.5Low61.9Low101 Ų10160 Ų6044%0.43932%0.32SS..Hα-helixtrans-60.4-35.4174.9-93.4-171.4173.3179.80113.3Q861 H962 L968Q861-K966 PolarHBondContact NE2-O 2.96Å; H962-K966 WeakPolarHBondContact NE2-CE 3.18Å; H962-K966 PolarHBondContact O-N 2.9Å; K966-L968 PolarHBondContact O-N 3.39Å
967T53.3Low60.2Low57 Ų5762 Ų6235%0.3533%0.326SS..Hα-helixtrans-68.9-26.1178.3-51.80000111.7Y865 C917 V963 F964 E965Y865-T967 PolarHBondContact OH-OG1 3.2Å; Y865-T967 VanDerWaalsContact OH-OG1 3.08Å; C917-T967 HydrophobicContact CB-CG2 4.46Å; V963-T967 PolarHBondContact O-N 3.5Å; V963-T967 VanDerWaalsContact O-N 3.14Å; V963-T967 PolarHBondContact O-OG1 2.78Å; F964-T967 PolarHBondContact O-N 2.8Å; E965-T967 VanDerWaalsContact C-N 3.27Å; E965-T967 PolarHBondContact O-N 3.24Å
968L51Low58.3Low63 Ų6361 Ų6133%0.3332%0.322SS..Hα-helixtrans-101.1-27.6-175.9-81.6153.9000115.1I921 M933 F964 E965 K966I921-L968 HydrophobicContact CD1-CD2 4.18Å; I921-L968 HydrophobicContact CG1-CD2 4.22Å; M933-L968 HydrophobicContact CE-CD1 3.55Å; M933-L968 HydrophobicContact CE-CD2 4.4Å; M933-L968 HydrophobicContact SD-CD1 4.37Å; F964-L968 WeakPolarHBondContact O-CD1 3.3Å; F964-L968 PolarHBondContact O-N 2.96Å; E965-L968 PolarHBondContact O-N 3.05Å; E965-L968 VanDerWaalsContact O-N 3.09Å; K966-L968 PolarHBondContact O-N 3.39Å
969M44.4Very low56.9Low98 Ų9857.6 Ų57.648%0.48331%0.305SS..  trans-119.6107.8-167.1-61.9-138.3-130.600114E965E965-M969 HydrophobicContact CG-CE 4.16Å; E965-M969 PolarHBondContact O-N 2.96Å
970N37.8Very low55.5Low131 Ų13157.1 Ų57.170%0.70131%0.306SS*.  trans-133.487.2165.9-135.9-8.1000107.6
971E43.4Very low54.1Low131 Ų13164.5 Ų64.561%0.61234%0.34SS*.PPolyproline II helixtrans-99.8117.3-164.3-64.7-167.8156.200114.2
972K44.8Very low52.6Low98 Ų9866.2 Ų66.243%0.42636%0.355SS..BIsolated β-bridgetrans-97138.4174.3-66.6-170.7-172.6-166.90112.4D847 T976D847-K972 VanDerWaalsContact CB-NZ 3.3Å; D847-K972 IonicContact OD2-NZ 3.66Å; D847-K972 PolarHBondContact OD2-NZ 3.35Å; K972-T976 WeakPolarHBondContact CB-O 3.38Å
973L41.3Very low51.4Low25 Ų2562.4 Ų62.413%0.13134%0.338CS..G310 helixtrans-78.9120.1-178.6-69.3163.3000112.2G975 T976 L978 V1001L973-G975 PolarHBondContact O-N 3.12Å; L973-T976 WeakPolarHBondContact O-CB 3.11Å; L973-T976 PolarHBondContact O-N 3.05Å; L973-T976 PolarHBondContact O-OG1 3.34Å; L973-L978 WeakPolarHBondContact CB-O 3.34Å; L973-L978 HydrophobicContact CD1-CB 4.49Å; L973-L978 PolarHBondContact N-O 3.31Å; L973-V1001 HydrophobicContact CD1-CB 4.19Å; L973-V1001 HydrophobicContact CD1-CG1 3.57Å; L973-V1001 HydrophobicContact CD2-CB 3.81Å; L973-V1001 HydrophobicContact CD2-CG1 3.65Å; L973-V1001 WeakPolarHBondContact CD2-O 3.4Å; L973-V1001 HydrophobicContact CG-CG1 4.27Å
974C42.3Very low50.5Low51 Ų5166 Ų6635%0.34535%0.353SS..G310 helixtrans50.829.7174.8-55.10000115.3T976 A1003C974-T976 VanDerWaalsContact C-N 3.27Å; C974-T976 PolarHBondContact O-N 3.1Å; C974-A1003 PolarHBondContact SG-O 3.36Å
975G42.8Very low49.7Very low48 Ų4869.3 Ų69.350%0.49538%0.376SS..G310 helixtrans70.918.5-175.400000114.5L973L973-G975 PolarHBondContact O-N 3.12Å
976T48.1Very low48.9Very low24 Ų2466.5 Ų66.515%0.14736%0.364CS..SBendtrans-94.2167.717472.20000111.2K972 L973 C974 L978 I1414K972-T976 WeakPolarHBondContact CB-O 3.38Å; L973-T976 WeakPolarHBondContact O-CB 3.11Å; L973-T976 PolarHBondContact O-N 3.05Å; L973-T976 PolarHBondContact O-OG1 3.34Å; C974-T976 VanDerWaalsContact C-N 3.27Å; C974-T976 PolarHBondContact O-N 3.1Å; T976-L978 PolarHBondContact O-N 3.25Å; T976-L978 PolarHBondContact OG1-N 3.02Å; T976-I1414 HydrophobicContact CG2-CD1 4.02Å
977L49.3Very low48.2Very low99 Ų9962 Ų6252%0.51835%0.345SS..SBendtrans-73.4-4.1173.3-73.1168.9000113.4V1590L977-V1590 HydrophobicContact CB-CG2 3.64Å; L977-V1590 HydrophobicContact CD1-CG2 3.6Å; L977-V1590 HydrophobicContact CG-CG2 4.29Å
978L46.5Very low48.3Very low8 Ų861.4 Ų61.44%0.04235%0.346CS..  trans-81.3127.7174.4-86.9145.6000110.2L973 T976 L983 V1412 I1414 F1592L973-L978 WeakPolarHBondContact CB-O 3.34Å; L973-L978 HydrophobicContact CD1-CB 4.49Å; L973-L978 PolarHBondContact N-O 3.31Å; T976-L978 PolarHBondContact O-N 3.25Å; T976-L978 PolarHBondContact OG1-N 3.02Å; L978-L983 HydrophobicContact CD2-CD1 4.43Å; L978-V1412 HydrophobicContact CD1-CG1 4.43Å; L978-I1414 HydrophobicContact CD1-CD1 3.76Å; L978-I1414 HydrophobicContact CD1-CG1 4.32Å; L978-F1592 HydrophobicContact CD1-CB 4.26Å; L978-F1592 HydrophobicContact CD1-CD1 4.05Å; L978-F1592 HydrophobicContact CD1-CG 4.11Å; L978-F1592 HydrophobicContact CD2-CD1 3.89Å; L978-F1592 HydrophobicContact CD2-CE1 3.66Å; L978-F1592 HydrophobicContact CD2-CG 4.46Å; L978-F1592 HydrophobicContact CD2-CZ 4.02Å; L978-F1592 HydrophobicContact CG-CD1 4.36Å
979T53.2Low47.9Very low37 Ų3764.1 Ų64.123%0.22736%0.357CS..BIsolated β-bridgetrans-100.4160168.566.30000109.7E981 T982 L983T979-E981 PolarHBondContact O-N 3.28Å; T979-T982 WeakPolarHBondContact CA-OG1 3.37Å; T979-T982 PolarHBondContact N-OG1 3.5Å; T979-T982 PolarHBondContact O-N 2.68Å; T979-T982 PolarHBondContact O-OG1 3.39Å; T979-T982 PolarHBondContact OG1-N 3.39Å; T979-T982 PolarHBondContact OG1-OG1 3.45Å; T979-L983 PolarHBondContact O-N 3.36Å; T979-L983 VanDerWaalsContact O-N 3.11Å
980G50.6Low47.9Very low24 Ų2462 Ų6225%0.24735%0.35CS..Hα-helixtrans-56.1-35.217300000112.3K984G980-K984 WeakPolarHBondContact O-CB 3.31Å; G980-K984 PolarHBondContact O-N 2.75Å
981E53.9Low48.2Very low154 Ų15460.3 Ų60.372%0.7234%0.336SS*.Hα-helixtrans-70.1-45174.7-80.4-172.8152.900113.6T979 L983 K984 S985T979-E981 PolarHBondContact O-N 3.28Å; E981-L983 PolarHBondContact O-N 2.99Å; E981-K984 PolarHBondContact O-N 3.26Å; E981-K984 VanDerWaalsContact O-N 3.13Å; E981-S985 WeakPolarHBondContact O-CB 3.27Å; E981-S985 PolarHBondContact O-N 3.04Å; E981-S985 PolarHBondContact O-OG 2.97Å
982T52.4Low48.3Very low73 Ų7357.6 Ų57.645%0.44833%0.33SS..Hα-helixtrans-61.9-34.8177.522.50000111.2T979 A986T979-T982 WeakPolarHBondContact CA-OG1 3.37Å; T979-T982 PolarHBondContact N-OG1 3.5Å; T979-T982 PolarHBondContact O-N 2.68Å; T979-T982 PolarHBondContact O-OG1 3.39Å; T979-T982 PolarHBondContact OG1-N 3.39Å; T979-T982 PolarHBondContact OG1-OG1 3.45Å; T982-A986 WeakPolarHBondContact O-CB 3.34Å; T982-A986 PolarHBondContact O-N 3.11Å
983L51.9Low48.1Very low14 Ų1459 Ų597%0.07334%0.338CS..Hα-helixtrans-71.7-38.8173.5-168.372.6000112.8L978 T979 E981 A986 L987 V1001 V1412 F1592L978-L983 HydrophobicContact CD2-CD1 4.43Å; T979-L983 PolarHBondContact O-N 3.36Å; T979-L983 VanDerWaalsContact O-N 3.11Å; E981-L983 PolarHBondContact O-N 2.99Å; L983-A986 WeakPolarHBondContact O-CB 3.15Å; L983-L987 HydrophobicContact CG-CD1 4.11Å; L983-L987 WeakPolarHBondContact O-CB 3.31Å; L983-L987 WeakPolarHBondContact O-CG 3.43Å; L983-L987 PolarHBondContact O-N 3.27Å; L983-V1001 HydrophobicContact CD2-CG1 3.67Å; L983-V1001 HydrophobicContact CD2-CG2 4.34Å; L983-V1412 HydrophobicContact CD1-CG2 4.31Å; L983-F1592 HydrophobicContact CD1-CE2 3.93Å; L983-F1592 HydrophobicContact CD1-CZ 4.26Å
984K53.9Low48.2Very low80 Ų8058.9 Ų58.935%0.34834%0.341SS..Hα-helixtrans-63.4-51.7174.6-106.2-172.2175.8177.50111.9G980 E981 A986 L987 A988 A995 L998G980-K984 WeakPolarHBondContact O-CB 3.31Å; G980-K984 PolarHBondContact O-N 2.75Å; E981-K984 PolarHBondContact O-N 3.26Å; E981-K984 VanDerWaalsContact O-N 3.13Å; K984-A986 VanDerWaalsContact C-N 3.27Å; K984-A986 PolarHBondContact O-N 3.44Å; K984-L987 PolarHBondContact O-N 3.39Å; K984-A988 WeakPolarHBondContact O-CB 3.16Å; K984-A988 PolarHBondContact O-N 2.9Å; K984-A995 VanDerWaalsContact CE-O 3.27Å; K984-A995 WeakPolarHBondContact CE-O 3.33Å; K984-A995 WeakPolarHBondContact O-CB 3.14Å; K984-L998 WeakPolarHBondContact CE-O 3.3Å; K984-L998 HydrophobicContact CG-CB 4.11Å; K984-L998 HydrophobicContact CG-CD1 4.3Å; K984-L998 PolarHBondContact NZ-O 2.7Å
985S54.7Low48.3Very low69 Ų6956.8 Ų56.848%0.48333%0.327SS..Hα-helixtrans-60.5-40.2178-63.80000111.3E981 A988 E989E981-S985 WeakPolarHBondContact O-CB 3.27Å; E981-S985 PolarHBondContact O-N 3.04Å; E981-S985 PolarHBondContact O-OG 2.97Å; S985-A988 PolarHBondContact O-N 3.32Å; S985-E989 PolarHBondContact O-N 2.8Å
986A49.4Very low48.4Very low11 Ų1161.4 Ų61.49%0.09134%0.336CS..Hα-helixtrans-57.3-49.8171.900000113.3T982 L983 K984 A988 L1580 F1592T982-A986 WeakPolarHBondContact O-CB 3.34Å; T982-A986 PolarHBondContact O-N 3.11Å; L983-A986 WeakPolarHBondContact O-CB 3.15Å; K984-A986 VanDerWaalsContact C-N 3.27Å; K984-A986 PolarHBondContact O-N 3.44Å; A986-A988 VanDerWaalsContact C-N 3.32Å; A986-L1580 VanDerWaalsContact CA-CD1 3.41Å; A986-L1580 HydrophobicContact CB-CD1 3.11Å; A986-L1580 HydrophobicContact CB-CG 4.39Å; A986-L1580 VanDerWaalsContact O-CD2 3.28Å; A986-L1580 WeakPolarHBondContact O-CD2 3.46Å; A986-F1592 HydrophobicContact CB-CZ 3.87Å
987L47.9Very low48Very low7 Ų765.5 Ų65.54%0.03736%0.357CS..Hα-helixtrans-71-29.7179-77.7163000112L983 K984 E989 V990 F991 A995 L998 I1410 F1576L983-L987 HydrophobicContact CG-CD1 4.11Å; L983-L987 WeakPolarHBondContact O-CB 3.31Å; L983-L987 WeakPolarHBondContact O-CG 3.43Å; L983-L987 PolarHBondContact O-N 3.27Å; K984-L987 PolarHBondContact O-N 3.39Å; L987-E989 VanDerWaalsContact C-N 3.26Å; L987-E989 PolarHBondContact O-N 2.84Å; L987-V990 PolarHBondContact O-N 3.46Å; L987-V990 VanDerWaalsContact O-N 3.11Å; L987-F991 CarbonylContact O-C 3.48Å; L987-F991 VanDerWaalsContact O-C 3.26Å; L987-F991 WeakPolarHBondContact O-CA 3.36Å; L987-F991 PolarHBondContact O-N 3.26Å; L987-A995 HydrophobicContact CB-CB 3.85Å; L987-L998 HydrophobicContact CD1-CD1 3.23Å; L987-I1410 HydrophobicContact CD1-CD1 4.13Å; L987-I1410 HydrophobicContact CD2-CD1 4.04Å; L987-F1576 HydrophobicContact CD2-CB 4.39Å; L987-F1576 HydrophobicContact CD2-CD1 3.46Å; L987-F1576 VanDerWaalsContact CD2-CD1 3.46Å; L987-F1576 HydrophobicContact CD2-CE1 3.83Å; L987-F1576 HydrophobicContact CD2-CG 3.99Å
988A54.6Low47.6Very low44 Ų4462.2 Ų62.236%0.36434%0.34SS..Hα-helixtrans-65.2-30.4-177.800000112.4K984 S985 A986 P992 A995K984-A988 WeakPolarHBondContact O-CB 3.16Å; K984-A988 PolarHBondContact O-N 2.9Å; S985-A988 PolarHBondContact O-N 3.32Å; A986-A988 VanDerWaalsContact C-N 3.32Å; A988-P992 WeakPolarHBondContact O-CG 3.42Å; A988-A995 VanDerWaalsContact CA-CB 3.44Å; A988-A995 HydrophobicContact CB-CB 3.65Å; A988-A995 VanDerWaalsContact N-CB 3.3Å
989E43.4Very low47.3Very low120 Ų12067 Ų6756%0.56137%0.365SS*.Hα-helixtrans-70-29.4174.6-103.6-17116400113.3S985 L987 L1580S985-E989 PolarHBondContact O-N 2.8Å; L987-E989 VanDerWaalsContact C-N 3.26Å; L987-E989 PolarHBondContact O-N 2.84Å; E989-L1580 HydrophobicContact CB-CD2 3.82Å; E989-L1580 WeakPolarHBondContact OE2-CD2 3.5Å
990V42.9Very low46.7Very low54 Ų5467.9 Ų67.933%0.32738%0.382SS..Hα-helixtrans-103-37-172.3-175.10000111.7L987 F1576 N1578 L1580L987-V990 PolarHBondContact O-N 3.46Å; L987-V990 VanDerWaalsContact O-N 3.11Å; V990-F1576 HydrophobicContact CG1-CD1 4.49Å; V990-N1578 HydrophobicContact CG2-CB 4.29Å; V990-L1580 HydrophobicContact CG2-CD2 4.18Å
991F45.4Very low46.2Very low95 Ų9568.7 Ų68.742%0.41738%0.382SS..  trans-152.483.2-176.7-130-86.3000108.9L987 E993 A994 A995 F1576L987-F991 CarbonylContact O-C 3.48Å; L987-F991 VanDerWaalsContact O-C 3.26Å; L987-F991 WeakPolarHBondContact O-CA 3.36Å; L987-F991 PolarHBondContact O-N 3.26Å; F991-E993 HydrophobicContact CD1-CB 4.36Å; F991-E993 PolarHBondContact O-N 3.19Å; F991-E993 VanDerWaalsContact O-N 3.07Å; F991-A994 HydrophobicContact CB-CB 4Å; F991-A994 HydrophobicContact CD1-CB 4.18Å; F991-A994 HydrophobicContact CG-CB 4.46Å; F991-A994 PolarHBondContact O-N 3.32Å; F991-A995 PolarHBondContact O-N 3.05Å; F991-A995 VanDerWaalsContact O-N 3.17Å; F991-F1576 HydrophobicContact CB-CD1 4.29Å; F991-F1576 HydrophobicContact CB-CE1 3.56Å; F991-F1576 HydrophobicContact CD2-CE1 4.16Å; F991-F1576 AromaticContact CG-CE1 3.9Å; F991-F1576 HydrophobicContact CG-CE1 3.9Å
992P45Very low45.5Very low75 Ų7564.8 Ų64.849%0.48737%0.372SS..Hα-helixtrans-49.6-38.3-178.1-25.230.6000112.8A988 A995 Q996A988-P992 WeakPolarHBondContact O-CG 3.42Å; P992-A995 PolarHBondContact O-N 3.02Å; P992-Q996 WeakPolarHBondContact O-CB 3.4Å; P992-Q996 VanDerWaalsContact O-CG 3.28Å; P992-Q996 WeakPolarHBondContact O-CG 3.16Å; P992-Q996 PolarHBondContact O-N 3.01Å
993E40.6Very low44.9Very low128 Ų12862.5 Ų62.560%0.59836%0.36SS*.Hα-helixtrans-65.4-42.4178.1-68.7179.5158.100113F991 A995 Q996 N997F991-E993 HydrophobicContact CD1-CB 4.36Å; F991-E993 PolarHBondContact O-N 3.19Å; F991-E993 VanDerWaalsContact O-N 3.07Å; E993-A995 VanDerWaalsContact C-N 3.32Å; E993-A995 PolarHBondContact O-N 3.21Å; E993-Q996 PolarHBondContact O-N 3.13Å; E993-N997 VanDerWaalsContact O-CB 3.32Å; E993-N997 WeakPolarHBondContact O-CB 3.44Å; E993-N997 PolarHBondContact O-N 3.24Å; E993-N997 PolarHBondContact O-ND2 3.01Å
994A43.6Very low44.5Very low22 Ų2264.8 Ų64.818%0.18237%0.374CS..Hα-helixtrans-67.3-36.4178.100000111.4F991 N997 L998 F1576F991-A994 HydrophobicContact CB-CB 4Å; F991-A994 HydrophobicContact CD1-CB 4.18Å; F991-A994 HydrophobicContact CG-CB 4.46Å; F991-A994 PolarHBondContact O-N 3.32Å; A994-N997 PolarHBondContact O-N 3.24Å; A994-L998 PolarHBondContact O-N 3.2Å; A994-F1576 HydrophobicContact CB-CE1 4.05Å; A994-F1576 HydrophobicContact CB-CZ 4.11Å
995A44.6Very low44Very low7 Ų765.1 Ų65.16%0.05837%0.373CS..Hα-helixtrans-68-38.2174.700000112.9K984 L987 A988 F991 P992 E993 N997K984-A995 VanDerWaalsContact CE-O 3.27Å; K984-A995 WeakPolarHBondContact CE-O 3.33Å; K984-A995 WeakPolarHBondContact O-CB 3.14Å; L987-A995 HydrophobicContact CB-CB 3.85Å; A988-A995 VanDerWaalsContact CA-CB 3.44Å; A988-A995 HydrophobicContact CB-CB 3.65Å; A988-A995 VanDerWaalsContact N-CB 3.3Å; F991-A995 PolarHBondContact O-N 3.05Å; F991-A995 VanDerWaalsContact O-N 3.17Å; P992-A995 PolarHBondContact O-N 3.02Å; E993-A995 VanDerWaalsContact C-N 3.32Å; E993-A995 PolarHBondContact O-N 3.21Å; A995-N997 VanDerWaalsContact C-N 3.3Å
996Q44Very low43.5Very low144 Ų14465 Ų6567%0.67337%0.367SS*.Hα-helixtrans-66.6-33.8172.8-74.8176.9600111.5P992 E993 L998P992-Q996 WeakPolarHBondContact O-CB 3.4Å; P992-Q996 VanDerWaalsContact O-CG 3.28Å; P992-Q996 WeakPolarHBondContact O-CG 3.16Å; P992-Q996 PolarHBondContact O-N 3.01Å; E993-Q996 PolarHBondContact O-N 3.13Å; Q996-L998 PolarHBondContact O-N 3.1Å
997N40.7Very low43.3Very low110 Ų11064.7 Ų64.759%0.58837%0.365SS*.THydrogen-bonded Turntrans-80.2-5.3-179.8-71.1-34.6000115.2E993 A994 A995 N999E993-N997 VanDerWaalsContact O-CB 3.32Å; E993-N997 WeakPolarHBondContact O-CB 3.44Å; E993-N997 PolarHBondContact O-N 3.24Å; E993-N997 PolarHBondContact O-ND2 3.01Å; A994-N997 PolarHBondContact O-N 3.24Å; A995-N997 VanDerWaalsContact C-N 3.3Å; N997-N999 PolarHBondContact O-N 3.19Å; N997-N999 VanDerWaalsContact O-N 3.07Å
998L40.8Very low42.9Very low31 Ų3170.5 Ų70.516%0.16239%0.391CS..  trans-78.684.4176.6-86.2164000111.4K984 L987 A994 Q996 G1000 V1001K984-L998 WeakPolarHBondContact CE-O 3.3Å; K984-L998 HydrophobicContact CG-CB 4.11Å; K984-L998 HydrophobicContact CG-CD1 4.3Å; K984-L998 PolarHBondContact NZ-O 2.7Å; L987-L998 HydrophobicContact CD1-CD1 3.23Å; A994-L998 PolarHBondContact O-N 3.2Å; Q996-L998 PolarHBondContact O-N 3.1Å; L998-G1000 VanDerWaalsContact C-N 3.29Å; L998-G1000 PolarHBondContact O-N 3.29Å; L998-V1001 HydrophobicContact CD2-CG2 4.25Å
999N39.6Very low42.2Very low108 Ų10870.2 Ų70.258%0.57839%0.393SS*.SBendtrans-82.8-3.9179.4-77.1-13.7000114.7N997 D1390N997-N999 PolarHBondContact O-N 3.19Å; N997-N999 VanDerWaalsContact O-N 3.07Å; N999-D1390 PolarHBondContact ND2-O 3.19Å
1000G40.3Very low42.2Very low56 Ų5670.6 Ų70.658%0.57739%0.393SS*.  trans-174.6139.1171.200000109.2L998L998-G1000 VanDerWaalsContact C-N 3.29Å; L998-G1000 PolarHBondContact O-N 3.29Å
1001V39.9Very low42.3Very low41 Ų4170.2 Ų70.225%0.24840%0.399CS..  trans-104.7101.8177.4-169.30000107.8L973 L983 L998L973-V1001 HydrophobicContact CD1-CB 4.19Å; L973-V1001 HydrophobicContact CD1-CG1 3.57Å; L973-V1001 HydrophobicContact CD2-CB 3.81Å; L973-V1001 HydrophobicContact CD2-CG1 3.65Å; L973-V1001 WeakPolarHBondContact CD2-O 3.4Å; L973-V1001 HydrophobicContact CG-CG1 4.27Å; L983-V1001 HydrophobicContact CD2-CG1 3.67Å; L983-V1001 HydrophobicContact CD2-CG2 4.34Å; L998-V1001 HydrophobicContact CD2-CG2 4.25Å
1002S40.2Very low42.4Very low72 Ų7267.5 Ų67.550%0.50339%0.387SS..  trans-103.7144.5165.290.50000108.8M1019S1002-M1019 WeakPolarHBondContact O-CG 3.39Å
1003A39.8Very low42.5Very low24 Ų2465.3 Ų65.320%0.19837%0.371CS..  trans-143.5138.6-177.900000110.2C974 L1017C974-A1003 PolarHBondContact SG-O 3.36Å; A1003-L1017 HydrophobicContact CB-CB 4.06Å; A1003-L1017 HydrophobicContact CB-CD1 3.89Å; A1003-L1017 HydrophobicContact CB-CD2 4.07Å; A1003-L1017 HydrophobicContact CB-CG 4.2Å
1004V42.6Very low42.7Very low63 Ų6359.3 Ų59.338%0.38234%0.344SS..EExtended strand (participates in β ladder)trans-123.1127.7176-175.10000109.3I1006 L1017 I1018V1004-I1006 PolarHBondContact O-N 2.97Å; V1004-L1017 CarbonylContact O-C 3.4Å; V1004-L1017 WeakPolarHBondContact O-CA 3.22Å; V1004-I1018 VanDerWaalsContact CB-O 3.24Å; V1004-I1018 WeakPolarHBondContact CB-O 3.19Å; V1004-I1018 PolarHBondContact N-O 2.61Å; V1004-I1018 VanDerWaalsContact N-O 3.14Å; V1004-I1018 PolarHBondContact O-N 2.99Å
1005R43.5Very low42.7Very low87 Ų8758.6 Ų58.633%0.32834%0.337SS..EExtended strand (participates in β ladder)trans-69.2125.4175.3-166.3-175.4-62-105.2-3.3110.6N1015 I1016 L1017R1005-N1015 WeakPolarHBondContact CD-OD1 3.37Å; R1005-N1015 HydrophobicContact CG-CB 4.32Å; R1005-N1015 PolarHBondContact NH1-ND2 2.67Å; R1005-N1015 PolarHBondContact NH1-OD1 2.92Å; R1005-I1016 CarbonylContact C-O 3.34Å; R1005-L1017 HydrophobicContact CB-CD2 4.28Å
1006I44.5Very low42.7Very low66 Ų6659.3 Ų59.334%0.33834%0.339SS..EExtended strand (participates in β ladder)trans-134.8168.9165.5-3.3163.8000111.8V1004 I1016 I1018V1004-I1006 PolarHBondContact O-N 2.97Å; I1006-I1016 PolarHBondContact N-O 3.03Å; I1006-I1016 PolarHBondContact O-N 3.08Å; I1006-I1016 VanDerWaalsContact O-N 3.16Å; I1006-I1016 VanDerWaalsContact O-O 3.07Å; I1006-I1018 HydrophobicContact CD1-CB 3.23Å; I1006-I1018 HydrophobicContact CD1-CD1 3.23Å; I1006-I1018 HydrophobicContact CD1-CG1 3.29Å; I1006-I1018 HydrophobicContact CD1-CG2 3.81Å; I1006-I1018 HydrophobicContact CG1-CB 3.81Å; I1006-I1018 HydrophobicContact CG1-CD1 4.49Å; I1006-I1018 HydrophobicContact CG1-CG1 4.13Å
1007G44.7Very low42.5Very low5 Ų553 Ų535%0.05231%0.311CS..  trans94-8.2179.800000113.9G1009 K1010G1007-G1009 PolarHBondContact O-N 3.45Å; G1007-K1010 PolarHBondContact O-N 2.97Å
1008E39.8Very low42.6Very low128 Ų12849.2 Ų49.260%0.59829%0.29SS*.THydrogen-bonded Turntrans-58113.6167.9-120.6-176177.500108.6
1009G40.3Very low42.5Very low38 Ų3850.1 Ų50.139%0.39229%0.294SS..THydrogen-bonded Turntrans79.818.7-176.500000115.8G1007 Y1818G1007-G1009 PolarHBondContact O-N 3.45Å; G1009-Y1818 VanDerWaalsContact C-OH 3.22Å; G1009-Y1818 WeakPolarHBondContact CA-OH 3.36Å; G1009-Y1818 WeakPolarHBondContact O-CE2 3.45Å; G1009-Y1818 PolarHBondContact O-OH 3.38Å; G1009-Y1818 VanDerWaalsContact O-OH 3.08Å
1010K44.4Very low42.8Very low129 Ų12948.5 Ų48.556%0.56129%0.289SS*.THydrogen-bonded Turntrans-111.716.6171-66.8-165.7176.6-176.20114G1007 F1012G1007-K1010 PolarHBondContact O-N 2.97Å; K1010-F1012 HydrophobicContact CB-CD2 3.96Å; K1010-F1012 HydrophobicContact CB-CE2 3.84Å
1011G44.5Very low43.2Very low45 Ų4548.7 Ų48.746%0.46428%0.277SS..THydrogen-bonded Turntrans90.60.9178.600000115.5
1012F47.1Very low44.1Very low38 Ų3849.1 Ų49.117%0.16728%0.279CS..  trans-80.6135179.5-58.9-74.2000112.6K1010 S1014 I1016 H1419K1010-F1012 HydrophobicContact CB-CD2 3.96Å; K1010-F1012 HydrophobicContact CB-CE2 3.84Å; F1012-S1014 PolarHBondContact O-N 3.31Å; F1012-I1016 HydrophobicContact CB-CD1 4.43Å; F1012-I1016 HydrophobicContact CD1-CD1 3.71Å; F1012-I1016 HydrophobicContact CD2-CD1 3.83Å; F1012-I1016 HydrophobicContact CE1-CD1 3.81Å; F1012-I1016 HydrophobicContact CE2-CD1 3.92Å; F1012-I1016 HydrophobicContact CG-CD1 3.71Å; F1012-I1016 HydrophobicContact CZ-CD1 3.91Å; F1012-H1419 PolarHBondContact O-ND1 3.47Å; F1012-H1419 VanDerWaalsContact O-ND1 3.14Å
1013L47.8Very low44.7Very low29 Ų2951.7 Ų51.715%0.15229%0.287CS..SBendtrans-80.413.3171.5-67.6175000113.3H1419 I1420L1013-H1419 HydrophobicContact CD2-CB 4.27Å; L1013-I1420 HydrophobicContact CD2-CG1 4.46Å
1014S43.1Very low45.7Very low3 Ų350.6 Ų50.62%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-147.5159-174.256.20000110.9F1012 K1413 I1414F1012-S1014 PolarHBondContact O-N 3.31Å; S1014-K1413 WeakPolarHBondContact OG-CE 3.42Å; S1014-K1413 WeakPolarHBondContact OG-CG 3.42Å; S1014-I1414 WeakPolarHBondContact CA-O 3.49Å; S1014-I1414 WeakPolarHBondContact CB-O 3.48Å
1015N44.5Very low46.9Very low6 Ų647.7 Ų47.73%0.03226%0.26CS..EExtended strand (participates in β ladder)trans-82.8132.2168.8-65.1-69.1000109.2R1005 K1413 I1414 K1416R1005-N1015 WeakPolarHBondContact CD-OD1 3.37Å; R1005-N1015 HydrophobicContact CG-CB 4.32Å; R1005-N1015 PolarHBondContact NH1-ND2 2.67Å; R1005-N1015 PolarHBondContact NH1-OD1 2.92Å; N1015-K1413 WeakPolarHBondContact O-CA 3.32Å; N1015-I1414 PolarHBondContact N-O 3.38Å; N1015-I1414 PolarHBondContact O-N 3.07Å; N1015-K1416 VanDerWaalsContact ND2-CD 3.27Å; N1015-K1416 WeakPolarHBondContact ND2-CD 3.43Å; N1015-K1416 WeakPolarHBondContact ND2-CE 3.42Å; N1015-K1416 WeakPolarHBondContact ND2-CG 3.36Å
1016I44.8Very low47.8Very low22 Ų2243.9 Ų43.911%0.11325%0.248CC..EExtended strand (participates in β ladder)trans-108.9127.7174.1-60176.4000107.4R1005 I1006 F1012 L1411R1005-I1016 CarbonylContact C-O 3.34Å; I1006-I1016 PolarHBondContact N-O 3.03Å; I1006-I1016 PolarHBondContact O-N 3.08Å; I1006-I1016 VanDerWaalsContact O-N 3.16Å; I1006-I1016 VanDerWaalsContact O-O 3.07Å; F1012-I1016 HydrophobicContact CB-CD1 4.43Å; F1012-I1016 HydrophobicContact CD1-CD1 3.71Å; F1012-I1016 HydrophobicContact CD2-CD1 3.83Å; F1012-I1016 HydrophobicContact CE1-CD1 3.81Å; F1012-I1016 HydrophobicContact CE2-CD1 3.92Å; F1012-I1016 HydrophobicContact CG-CD1 3.71Å; F1012-I1016 HydrophobicContact CZ-CD1 3.91Å; I1016-L1411 HydrophobicContact CG2-CB 4.22Å; I1016-L1411 HydrophobicContact CG2-CD1 4.47Å; I1016-L1411 HydrophobicContact CG2-CD2 3.81Å; I1016-L1411 HydrophobicContact CG2-CG 4.4Å
1017L40Very low48.8Very low13 Ų1341.2 Ų41.27%0.06823%0.234CC..EExtended strand (participates in β ladder)trans-96.2129.6173.7-61.4170.1000110.1A1003 V1004 R1005 L1411 V1412 I1414A1003-L1017 HydrophobicContact CB-CB 4.06Å; A1003-L1017 HydrophobicContact CB-CD1 3.89Å; A1003-L1017 HydrophobicContact CB-CD2 4.07Å; A1003-L1017 HydrophobicContact CB-CG 4.2Å; V1004-L1017 CarbonylContact O-C 3.4Å; V1004-L1017 WeakPolarHBondContact O-CA 3.22Å; R1005-L1017 HydrophobicContact CB-CD2 4.28Å; L1017-L1411 WeakPolarHBondContact O-CA 3.32Å; L1017-L1411 WeakPolarHBondContact O-CD2 3.45Å; L1017-V1412 HydrophobicContact CB-CB 4.37Å; L1017-V1412 HydrophobicContact CD1-CB 4.2Å; L1017-V1412 PolarHBondContact N-O 3.42Å; L1017-I1414 HydrophobicContact CD1-CD1 4.37Å
1018I42.7Very low50.2Low29 Ų2943.6 Ų43.615%0.14924%0.242CC..EExtended strand (participates in β ladder)trans-125.4156.2173.9-80.8-166.3000111.4V1004 I1006 P1020 L1411V1004-I1018 VanDerWaalsContact CB-O 3.24Å; V1004-I1018 WeakPolarHBondContact CB-O 3.19Å; V1004-I1018 PolarHBondContact N-O 2.61Å; V1004-I1018 VanDerWaalsContact N-O 3.14Å; V1004-I1018 PolarHBondContact O-N 2.99Å; I1006-I1018 HydrophobicContact CD1-CB 3.23Å; I1006-I1018 HydrophobicContact CD1-CD1 3.23Å; I1006-I1018 HydrophobicContact CD1-CG1 3.29Å; I1006-I1018 HydrophobicContact CD1-CG2 3.81Å; I1006-I1018 HydrophobicContact CG1-CB 3.81Å; I1006-I1018 HydrophobicContact CG1-CD1 4.49Å; I1006-I1018 HydrophobicContact CG1-CG1 4.13Å; I1018-P1020 HydrophobicContact CG2-CG 4.41Å; I1018-L1411 HydrophobicContact CB-CD2 4.34Å; I1018-L1411 HydrophobicContact CD1-CD2 3.54Å; I1018-L1411 HydrophobicContact CG1-CD2 3.06Å
1019M39.4Very low51.6Low50 Ų5041.4 Ų41.425%0.24623%0.228CC..  trans-116.6100172.8-62.5-177.3-86.700111.5S1002 R1409S1002-M1019 WeakPolarHBondContact O-CG 3.39Å; M1019-R1409 PolarHBondContact O-NE 2.95Å; M1019-R1409 VanDerWaalsContact O-NE 3.13Å; M1019-R1409 PolarHBondContact O-NH1 3.32Å; M1019-R1409 PolarHBondContact O-NH2 3.5Å
1020P44.9Very low52.8Low74 Ų7441.9 Ų41.948%0.48123%0.229SC..  trans-102.7105176.532.5-22.1000112.6I1018I1018-P1020 HydrophobicContact CG2-CG 4.41Å
1021D48.4Very low53.9Low60 Ų6039 Ų3932%0.32123%0.225SC..  trans-103.1145.8177.5-50.4-44.8000113.3Q1059 G1060D1021-Q1059 HydrophobicContact CB-CB 4.43Å; D1021-Q1059 HydrophobicContact CB-CG 3.16Å; D1021-G1060 CarbonylContact C-O 3.52Å; D1021-G1060 WeakPolarHBondContact CA-O 3.37Å
1022V59.9Low55Low50 Ų5037.1 Ų37.130%0.30320%0.204SC..EExtended strand (participates in β ladder)trans-109.4170.6165.4-610000110.2V1024 Q1059 G1060 F1062V1022-V1024 HydrophobicContact CG2-CG2 4.08Å; V1022-V1024 PolarHBondContact O-N 3.38Å; V1022-Q1059 WeakPolarHBondContact O-CA 3.48Å; V1022-G1060 WeakPolarHBondContact CG2-O 3.09Å; V1022-G1060 PolarHBondContact N-O 2.96Å; V1022-G1060 PolarHBondContact O-N 2.66Å; V1022-F1062 HydrophobicContact CG1-CB 4.47Å; V1022-F1062 VanDerWaalsContact CG2-CA 3.49Å; V1022-F1062 HydrophobicContact CG2-CB 3.75Å; V1022-F1062 VanDerWaalsContact CG2-N 3.32Å
1023L51.6Low56.2Low127 Ų12736.1 Ų36.167%0.66520%0.201SC*.EExtended strand (participates in β ladder)trans-72.8113.8167.1-14594000108.2W1054 V1057L1023-W1054 HydrophobicContact CD2-CZ3 4.21Å; L1023-V1057 HydrophobicContact CD2-CG2 3.58Å; L1023-V1057 HydrophobicContact CG-CG2 3.81Å
1024V60.6Low57.1Low0 Ų037.7 Ų37.70%021%0.209CC..EExtended strand (participates in β ladder)trans-98.5125.5177.2173.50000107.2V1022 G1026 V1057 H1058 S1061 E1064 D1065V1022-V1024 HydrophobicContact CG2-CG2 4.08Å; V1022-V1024 PolarHBondContact O-N 3.38Å; V1024-G1026 PolarHBondContact O-N 3.34Å; V1024-V1057 CarbonylContact O-C 3.48Å; V1024-V1057 VanDerWaalsContact O-CA 3.29Å; V1024-V1057 WeakPolarHBondContact O-CA 3Å; V1024-V1057 WeakPolarHBondContact O-CG2 3.4Å; V1024-H1058 WeakPolarHBondContact CA-O 3.39Å; V1024-H1058 WeakPolarHBondContact CB-O 3.07Å; V1024-H1058 PolarHBondContact N-O 3.43Å; V1024-H1058 PolarHBondContact O-N 3.47Å; V1024-H1058 VanDerWaalsContact O-O 3.12Å; V1024-S1061 WeakPolarHBondContact CG2-O 3.44Å; V1024-E1064 HydrophobicContact CG1-CB 3.54Å; V1024-E1064 HydrophobicContact CG1-CG 4.33Å; V1024-E1064 HydrophobicContact CG2-CB 4.19Å; V1024-E1064 HydrophobicContact CG2-CG 4.41Å; V1024-D1065 WeakPolarHBondContact CA-OD2 3.19Å; V1024-D1065 WeakPolarHBondContact CG1-OD1 3.37Å
1025H68.3Low58.6Low2 Ų242.1 Ų42.11%0.00923%0.228CC..  trans-61.2-37.3175.6-176.8-63.5000111D1027 Y1028 I1051 I1052 D1053 W1054 T1056 V1057 D1065H1025-D1027 PolarHBondContact CE1-O 2.85Å; H1025-D1027 PolarHBondContact ND1-N 3.24Å; H1025-D1027 PolarHBondContact ND1-O 2.99Å; H1025-D1027 PolarHBondContact O-N 3.08Å; H1025-Y1028 HydrophobicContact CB-CD2 3.87Å; H1025-Y1028 HydrophobicContact CB-CG 4.43Å; H1025-Y1028 AromaticContact CD2-CD2 3.88Å; H1025-Y1028 AromaticContact CG-CD2 3.89Å; H1025-I1051 WeakPolarHBondContact CD2-CG2 3.13Å; H1025-I1051 WeakPolarHBondContact NE2-CG2 2.95Å; H1025-I1052 PolarHBondContact NE2-O 2.89Å; H1025-I1052 VanDerWaalsContact NE2-O 3.08Å; H1025-D1053 PolarHBondContact CE1-O 3.39Å; H1025-W1054 HydrophobicContact CB-CZ3 4.32Å; H1025-W1054 AromaticContact CD2-CD2 3.82Å; H1025-W1054 AromaticContact CD2-CE2 3.93Å; H1025-W1054 AromaticContact CD2-CE3 3.84Å; H1025-W1054 AromaticContact CD2-CZ3 3.99Å; H1025-T1056 CarbonylContact O-C 3.57Å; H1025-T1056 PolarHBondContact O-OG1 3.29Å; H1025-V1057 WeakPolarHBondContact O-CA 3.34Å; H1025-V1057 PolarHBondContact O-N 3.14Å; H1025-D1065 PolarHBondContact N-OD1 3.46Å; H1025-D1065 PolarHBondContact N-OD2 2.85Å
1026G62.7Low59.8Low8 Ų847 Ų478%0.08225%0.249CC..SBendtrans82.7-8.9172.200000114.8V1024 T1056 D1065V1024-G1026 PolarHBondContact O-N 3.34Å; G1026-T1056 PolarHBondContact O-OG1 3.28Å; G1026-D1065 PolarHBondContact N-OD1 3.39Å
1027D66.4Low60.8Low9 Ų949.6 Ų49.65%0.04827%0.265CS..  trans-149.849.5175.1-167.726.2000110.1H1025 R1029 N1032 T1056 Y1068H1025-D1027 PolarHBondContact CE1-O 2.85Å; H1025-D1027 PolarHBondContact ND1-N 3.24Å; H1025-D1027 PolarHBondContact ND1-O 2.99Å; H1025-D1027 PolarHBondContact O-N 3.08Å; D1027-R1029 VanDerWaalsContact C-N 3.25Å; D1027-R1029 PolarHBondContact O-N 3.15Å; D1027-R1029 WeakPolarHBondContact OD1-CD 3.32Å; D1027-R1029 IonicContact OD1-CZ 3.92Å; D1027-R1029 IonicContact OD1-NE 3.84Å; D1027-R1029 PolarHBondContact OD1-NE 3Å; D1027-R1029 IonicContact OD2-CZ 3.27Å; D1027-R1029 IonicContact OD2-NE 3.32Å; D1027-R1029 PolarHBondContact OD2-NE 3.02Å; D1027-R1029 VanDerWaalsContact OD2-NE 3.08Å; D1027-R1029 IonicContact OD2-NH1 2.68Å; D1027-R1029 IonicContact OD2-NH2 3.11Å; D1027-R1029 PolarHBondContact OD2-NH2 3.36Å; D1027-N1032 PolarHBondContact O-ND2 3.15Å; D1027-N1032 PolarHBondContact OD2-ND2 3.48Å; D1027-N1032 VanDerWaalsContact OD2-ND2 3.14Å; D1027-T1056 HydrophobicContact CB-CG2 4.11Å; D1027-T1056 WeakPolarHBondContact CB-OG1 3.19Å; D1027-T1056 PolarHBondContact N-OG1 3.41Å; D1027-Y1068 PolarHBondContact OD1-OH 3.31Å
1028Y72.9Confident61.5Low55 Ų5552.7 Ų52.722%0.21628%0.282CS..  trans-80.266.2-173.4-157.9-112.9000112.3H1025 I1033 I1051 D1065 L1069H1025-Y1028 HydrophobicContact CB-CD2 3.87Å; H1025-Y1028 HydrophobicContact CB-CG 4.43Å; H1025-Y1028 AromaticContact CD2-CD2 3.88Å; H1025-Y1028 AromaticContact CG-CD2 3.89Å; Y1028-I1033 HydrophobicContact CE1-CD1 4.21Å; Y1028-I1051 HydrophobicContact CD2-CG2 4.19Å; Y1028-I1051 HydrophobicContact CE2-CD1 3.72Å; Y1028-I1051 HydrophobicContact CE2-CG1 3.94Å; Y1028-I1051 HydrophobicContact CE2-CG2 3.82Å; Y1028-I1051 WeakPolarHBondContact OH-CD1 3.4Å; Y1028-D1065 HydrophobicContact CD1-CB 4.01Å; Y1028-D1065 HydrophobicContact CG-CB 3.95Å; Y1028-L1069 HydrophobicContact CD1-CB 4.23Å; Y1028-L1069 HydrophobicContact CD1-CD1 4.42Å; Y1028-L1069 HydrophobicContact CE1-CD1 4.44Å
1029R68.9Low62.3Low82 Ų8258.3 Ų58.331%0.30931%0.312SS..  trans-104.2160.2-17856.7179.8179-175.4-0.7113D1027 S1031 N1032 I1033 D1053 Y1068D1027-R1029 VanDerWaalsContact C-N 3.25Å; D1027-R1029 PolarHBondContact O-N 3.15Å; D1027-R1029 WeakPolarHBondContact OD1-CD 3.32Å; D1027-R1029 IonicContact OD1-CZ 3.92Å; D1027-R1029 IonicContact OD1-NE 3.84Å; D1027-R1029 PolarHBondContact OD1-NE 3Å; D1027-R1029 IonicContact OD2-CZ 3.27Å; D1027-R1029 IonicContact OD2-NE 3.32Å; D1027-R1029 PolarHBondContact OD2-NE 3.02Å; D1027-R1029 VanDerWaalsContact OD2-NE 3.08Å; D1027-R1029 IonicContact OD2-NH1 2.68Å; D1027-R1029 IonicContact OD2-NH2 3.11Å; D1027-R1029 PolarHBondContact OD2-NH2 3.36Å; R1029-S1031 VanDerWaalsContact C-N 3.25Å; R1029-S1031 VanDerWaalsContact CD-OG 3.28Å; R1029-S1031 WeakPolarHBondContact CD-OG 3.1Å; R1029-S1031 WeakPolarHBondContact CG-OG 3.42Å; R1029-S1031 PolarHBondContact NE-OG 2.6Å; R1029-S1031 PolarHBondContact O-N 2.96Å; R1029-N1032 HydrophobicContact CG-CB 4.13Å; R1029-N1032 PolarHBondContact NE-ND2 2.88Å; R1029-N1032 PolarHBondContact NE-OD1 3.46Å; R1029-N1032 WeakPolarHBondContact O-CA 3.26Å; R1029-N1032 WeakPolarHBondContact O-CB 3.41Å; R1029-N1032 PolarHBondContact O-N 3.25Å; R1029-I1033 WeakPolarHBondContact O-CG1 3.45Å; R1029-D1053 IonicContact NH2-OD2 2.72Å; R1029-D1053 PolarHBondContact NH2-OD2 3.45Å; R1029-Y1068 HydrophobicContact CB-CD1 4.29Å; R1029-Y1068 HydrophobicContact CB-CE1 4.08Å
1030A66.8Low63Low48 Ų4864.8 Ų64.840%0.39734%0.342SS..G310 helixtrans-59.5-31.7-175.700000113.9N1032 I1033 N1073A1030-N1032 PolarHBondContact O-N 3.39Å; A1030-I1033 PolarHBondContact O-N 2.85Å; A1030-I1033 VanDerWaalsContact O-N 3.15Å; A1030-N1073 HydrophobicContact CB-CB 4.23Å; A1030-N1073 WeakPolarHBondContact CB-OD1 3.3Å; A1030-N1073 PolarHBondContact N-OD1 2.76Å
1031S66.5Low63.5Low68 Ų6865.4 Ų65.448%0.47634%0.344SS..G310 helixtrans-64.7-22174.557.70000113.3R1029 I1033R1029-S1031 VanDerWaalsContact C-N 3.25Å; R1029-S1031 VanDerWaalsContact CD-OG 3.28Å; R1029-S1031 WeakPolarHBondContact CD-OG 3.1Å; R1029-S1031 WeakPolarHBondContact CG-OG 3.42Å; R1029-S1031 PolarHBondContact NE-OG 2.6Å; R1029-S1031 PolarHBondContact O-N 2.96Å; S1031-I1033 VanDerWaalsContact C-N 3.35Å
1032N68.7Low63.4Low7 Ų769 Ų694%0.03736%0.364CS..G310 helixtrans-96.87.6-180-66.43.7000111.4D1027 R1029 A1030 I1051 I1052 D1053D1027-N1032 PolarHBondContact O-ND2 3.15Å; D1027-N1032 PolarHBondContact OD2-ND2 3.48Å; D1027-N1032 VanDerWaalsContact OD2-ND2 3.14Å; R1029-N1032 HydrophobicContact CG-CB 4.13Å; R1029-N1032 PolarHBondContact NE-ND2 2.88Å; R1029-N1032 PolarHBondContact NE-OD1 3.46Å; R1029-N1032 WeakPolarHBondContact O-CA 3.26Å; R1029-N1032 WeakPolarHBondContact O-CB 3.41Å; R1029-N1032 PolarHBondContact O-N 3.25Å; A1030-N1032 PolarHBondContact O-N 3.39Å; N1032-I1051 CarbonylContact O-C 3.54Å; N1032-I1051 WeakPolarHBondContact O-CA 3.31Å; N1032-I1052 HydrophobicContact CB-CG1 4.45Å; N1032-I1052 WeakPolarHBondContact CB-O 3.37Å; N1032-I1052 PolarHBondContact O-N 3.04Å; N1032-D1053 HydrophobicContact CB-CB 4.44Å; N1032-D1053 PolarHBondContact ND2-OD2 3.33Å
1033I72.2Confident62.7Low17 Ų1770.3 Ų70.39%0.08737%0.372CS..EExtended strand (participates in β ladder)trans-122.3106.3-177.2-61.5171.5000108.1Y1028 R1029 A1030 S1031 F1035 L1048 L1069Y1028-I1033 HydrophobicContact CE1-CD1 4.21Å; R1029-I1033 WeakPolarHBondContact O-CG1 3.45Å; A1030-I1033 PolarHBondContact O-N 2.85Å; A1030-I1033 VanDerWaalsContact O-N 3.15Å; S1031-I1033 VanDerWaalsContact C-N 3.35Å; I1033-F1035 HydrophobicContact CB-CE2 4.47Å; I1033-F1035 HydrophobicContact CG2-CD2 4.34Å; I1033-F1035 HydrophobicContact CG2-CE1 4.42Å; I1033-F1035 HydrophobicContact CG2-CE2 3.65Å; I1033-F1035 HydrophobicContact CG2-CZ 3.7Å; I1033-L1048 HydrophobicContact CG2-CD1 3.27Å; I1033-L1069 HydrophobicContact CD1-CD1 3.82Å
1034L65.6Low62.6Low62 Ų6269.3 Ų69.333%0.32537%0.371SS..EExtended strand (participates in β ladder)trans-88132.2176.3-67.6173.7000110.2A1049 A1050 I1052L1034-A1049 HydrophobicContact CB-CB 4.22Å; L1034-A1049 WeakPolarHBondContact O-CA 3.48Å; L1034-A1049 WeakPolarHBondContact O-CB 3.21Å; L1034-A1049 PolarHBondContact O-N 3.41Å; L1034-A1050 HydrophobicContact CB-CB 4.44Å; L1034-A1050 HydrophobicContact CD1-CB 4.41Å; L1034-A1050 PolarHBondContact N-O 3.41Å; L1034-A1050 PolarHBondContact O-N 3.5Å; L1034-I1052 HydrophobicContact CD1-CD1 4.16Å; L1034-I1052 HydrophobicContact CD1-CG2 3.8Å; L1034-I1052 HydrophobicContact CD2-CD1 4.48Å; L1034-I1052 HydrophobicContact CG-CD1 4.15Å; L1034-I1052 HydrophobicContact CG-CG2 4.44Å
1035F74.8Confident62.8Low96 Ų9670.8 Ų70.842%0.42138%0.382SS..EExtended strand (participates in β ladder)trans-104.9148.4173.1-66.7-86.7000110.2I1033 T1044 Q1047I1033-F1035 HydrophobicContact CB-CE2 4.47Å; I1033-F1035 HydrophobicContact CG2-CD2 4.34Å; I1033-F1035 HydrophobicContact CG2-CE1 4.42Å; I1033-F1035 HydrophobicContact CG2-CE2 3.65Å; I1033-F1035 HydrophobicContact CG2-CZ 3.7Å; F1035-T1044 HydrophobicContact CB-CG2 4.35Å; F1035-Q1047 WeakPolarHBondContact CA-O 3.38Å
1036K70.3Confident62.5Low109 Ų10976.3 Ų76.347%0.47442%0.42SS..EExtended strand (participates in β ladder)trans-63.9141.9172.3-72.4-172.9177.8179.40109.5S1045 Q1047 A1049K1036-S1045 WeakPolarHBondContact O-CA 3.38Å; K1036-S1045 WeakPolarHBondContact O-CB 3.04Å; K1036-S1045 PolarHBondContact O-N 3.19Å; K1036-Q1047 HydrophobicContact CB-CB 4.49Å; K1036-Q1047 HydrophobicContact CD-CB 4.35Å; K1036-Q1047 PolarHBondContact N-O 3.17Å; K1036-A1049 HydrophobicContact CG-CB 3.84Å
1037V64.4Low62.5Low75 Ų7581.5 Ų81.546%0.45544%0.442SS..EExtended strand (participates in β ladder)trans-92.1132.7170.6-176.40000108.1N1039V1037-N1039 PolarHBondContact O-N 3.36Å
1038D54.6Low62.2Low78 Ų7885.1 Ų85.142%0.41746%0.461SS..EExtended strand (participates in β ladder)trans-80112.6170.4-158.9-21.8000108.5E1040 T1041 N1042 T1043D1038-E1040 PolarHBondContact O-N 2.94Å; D1038-T1041 PolarHBondContact O-N 2.99Å; D1038-N1042 VanDerWaalsContact O-CA 3.28Å; D1038-N1042 WeakPolarHBondContact O-CA 3.25Å; D1038-N1042 PolarHBondContact O-N 3.35Å; D1038-T1043 WeakPolarHBondContact CB-O 3.37Å; D1038-T1043 PolarHBondContact N-O 3.49Å
1039N59.8Low62.1Low148 Ų14885.2 Ų85.279%0.79147%0.473SS*.THydrogen-bonded Turntrans-63.9-23.9-172.1-74.7-16.4000112.9V1037V1037-N1039 PolarHBondContact O-N 3.36Å
1040E54.3Low61.8Low185 Ų18583 Ų8386%0.86447%0.472SS*.THydrogen-bonded Turntrans-80.2-39-177.2-69.3-167.3168.600112.9D1038D1038-E1040 PolarHBondContact O-N 2.94Å
1041T54.9Low61.7Low87 Ų8782.8 Ų82.853%0.53446%0.464SS..THydrogen-bonded Turntrans-100-8.4-179.853.80000112.7D1038 T1043D1038-T1041 PolarHBondContact O-N 2.99Å; T1041-T1043 WeakPolarHBondContact CB-OG1 3.45Å; T1041-T1043 PolarHBondContact O-N 3.3Å; T1041-T1043 VanDerWaalsContact O-N 3.1Å; T1041-T1043 PolarHBondContact OG1-OG1 3.28Å
1042N46.9Very low61.6Low137 Ų13782 Ų8273%0.73345%0.454SS*.THydrogen-bonded Turntrans51.927.6-171-136.918.6000112.1D1038D1038-N1042 VanDerWaalsContact O-CA 3.28Å; D1038-N1042 WeakPolarHBondContact O-CA 3.25Å; D1038-N1042 PolarHBondContact O-N 3.35Å
1043T44.7Very low60.7Low77 Ų7784.2 Ų84.247%0.47247%0.466SS..EExtended strand (participates in β ladder)trans-106.9146.1177.157.90000109.8D1038 T1041 S1045D1038-T1043 WeakPolarHBondContact CB-O 3.37Å; D1038-T1043 PolarHBondContact N-O 3.49Å; T1041-T1043 WeakPolarHBondContact CB-OG1 3.45Å; T1041-T1043 PolarHBondContact O-N 3.3Å; T1041-T1043 VanDerWaalsContact O-N 3.1Å; T1041-T1043 PolarHBondContact OG1-OG1 3.28Å; T1043-S1045 PolarHBondContact O-N 3.48Å
1044T51.1Low59.9Low105 Ų10589.2 Ų89.264%0.64448%0.484SS*.EExtended strand (participates in β ladder)trans-60.1123.217327.40000111F1035F1035-T1044 HydrophobicContact CB-CG2 4.35Å
1045S63.6Low59Low32 Ų3293.2 Ų93.222%0.22450%0.501CS..EExtended strand (participates in β ladder)trans-69.3154.8169.4172.40000110.1K1036 T1043 Q1047K1036-S1045 WeakPolarHBondContact O-CA 3.38Å; K1036-S1045 WeakPolarHBondContact O-CB 3.04Å; K1036-S1045 PolarHBondContact O-N 3.19Å; T1043-S1045 PolarHBondContact O-N 3.48Å; S1045-Q1047 PolarHBondContact O-N 2.78Å; S1045-Q1047 WeakPolarHBondContact OG-CB 3.49Å; S1045-Q1047 PolarHBondContact OG-N 2.74Å; S1045-Q1047 VanDerWaalsContact OG-N 3.08Å
1046S62.7Low58Low117 Ų11791.1 Ų91.182%0.81850%0.496SS*.EExtended strand (participates in β ladder)trans-73.4-1.2169.363.40000113.3
1047Q62.7Low57.2Low117 Ų11789 Ų8955%0.54749%0.492SS..EExtended strand (participates in β ladder)trans-83.5125.1176.7-68.5-170.4-8.500111.2F1035 K1036 S1045F1035-Q1047 WeakPolarHBondContact CA-O 3.38Å; K1036-Q1047 HydrophobicContact CB-CB 4.49Å; K1036-Q1047 HydrophobicContact CD-CB 4.35Å; K1036-Q1047 PolarHBondContact N-O 3.17Å; S1045-Q1047 PolarHBondContact O-N 2.78Å; S1045-Q1047 WeakPolarHBondContact OG-CB 3.49Å; S1045-Q1047 PolarHBondContact OG-N 2.74Å; S1045-Q1047 VanDerWaalsContact OG-N 3.08Å
1048L59Low56.5Low86 Ų8689 Ų8945%0.4549%0.487SS..EExtended strand (participates in β ladder)trans-61.7131.6171.9-164.684.8000110.3I1033 I1051I1033-L1048 HydrophobicContact CG2-CD1 3.27Å; L1048-I1051 HydrophobicContact CD2-CD1 4.09Å; L1048-I1051 HydrophobicContact CD2-CG1 4.14Å
1049A71.6Confident56.1Low56 Ų5690 Ų9046%0.46349%0.489SS..EExtended strand (participates in β ladder)trans-92.4-53.4171.100000111.2L1034 K1036L1034-A1049 HydrophobicContact CB-CB 4.22Å; L1034-A1049 WeakPolarHBondContact O-CA 3.48Å; L1034-A1049 WeakPolarHBondContact O-CB 3.21Å; L1034-A1049 PolarHBondContact O-N 3.41Å; K1036-A1049 HydrophobicContact CG-CB 3.84Å
1050A62.3Low56Low35 Ų3583.1 Ų83.129%0.28945%0.454SS..EExtended strand (participates in β ladder)trans-159.1162-179.100000112L1034 I1052L1034-A1050 HydrophobicContact CB-CB 4.44Å; L1034-A1050 HydrophobicContact CD1-CB 4.41Å; L1034-A1050 PolarHBondContact N-O 3.41Å; L1034-A1050 PolarHBondContact O-N 3.5Å; A1050-I1052 HydrophobicContact CB-CG2 4.49Å
1051I64.9Low56.4Low44 Ų4475.3 Ų75.323%0.22642%0.419CS..EExtended strand (participates in β ladder)trans-113.3125166.3-63.9151000106.6H1025 Y1028 N1032 L1048 W1054H1025-I1051 WeakPolarHBondContact CD2-CG2 3.13Å; H1025-I1051 WeakPolarHBondContact NE2-CG2 2.95Å; Y1028-I1051 HydrophobicContact CD2-CG2 4.19Å; Y1028-I1051 HydrophobicContact CE2-CD1 3.72Å; Y1028-I1051 HydrophobicContact CE2-CG1 3.94Å; Y1028-I1051 HydrophobicContact CE2-CG2 3.82Å; Y1028-I1051 WeakPolarHBondContact OH-CD1 3.4Å; N1032-I1051 CarbonylContact O-C 3.54Å; N1032-I1051 WeakPolarHBondContact O-CA 3.31Å; L1048-I1051 HydrophobicContact CD2-CD1 4.09Å; L1048-I1051 HydrophobicContact CD2-CG1 4.14Å; I1051-W1054 HydrophobicContact CB-CZ2 4.18Å; I1051-W1054 HydrophobicContact CG2-CZ2 3.93Å; I1051-W1054 PolarHBondContact O-NE1 3.43Å
1052I64.1Low57.1Low53 Ų5372.4 Ų72.427%0.27240%0.399SS..  trans-117170.9-173.460.9173.5000111H1025 N1032 L1034 A1050H1025-I1052 PolarHBondContact NE2-O 2.89Å; H1025-I1052 VanDerWaalsContact NE2-O 3.08Å; N1032-I1052 HydrophobicContact CB-CG1 4.45Å; N1032-I1052 WeakPolarHBondContact CB-O 3.37Å; N1032-I1052 PolarHBondContact O-N 3.04Å; L1034-I1052 HydrophobicContact CD1-CD1 4.16Å; L1034-I1052 HydrophobicContact CD1-CG2 3.8Å; L1034-I1052 HydrophobicContact CD2-CD1 4.48Å; L1034-I1052 HydrophobicContact CG-CD1 4.15Å; L1034-I1052 HydrophobicContact CG-CG2 4.44Å; A1050-I1052 HydrophobicContact CB-CG2 4.49Å
1053D49.9Very low58.1Low52 Ų5265.9 Ų65.928%0.27836%0.364SS..  trans65.855.6175.1-165.814.6000114.9H1025 R1029 N1032 Q1055H1025-D1053 PolarHBondContact CE1-O 3.39Å; R1029-D1053 IonicContact NH2-OD2 2.72Å; R1029-D1053 PolarHBondContact NH2-OD2 3.45Å; N1032-D1053 HydrophobicContact CB-CB 4.44Å; N1032-D1053 PolarHBondContact ND2-OD2 3.33Å; D1053-Q1055 VanDerWaalsContact CG-NE2 3.3Å; D1053-Q1055 PolarHBondContact O-N 2.98Å; D1053-Q1055 WeakPolarHBondContact OD1-CG 3.47Å; D1053-Q1055 PolarHBondContact OD1-NE2 3.42Å; D1053-Q1055 PolarHBondContact OD2-NE2 2.77Å; D1053-Q1055 VanDerWaalsContact OD2-NE2 3.1Å
1054W56.4Low59.2Low123 Ų12363.6 Ų63.647%0.46635%0.348SS..G310 helixtrans-75.619.5-179.6-68.182.8000114.7L1023 H1025 I1051 T1056 V1057L1023-W1054 HydrophobicContact CD2-CZ3 4.21Å; H1025-W1054 HydrophobicContact CB-CZ3 4.32Å; H1025-W1054 AromaticContact CD2-CD2 3.82Å; H1025-W1054 AromaticContact CD2-CE2 3.93Å; H1025-W1054 AromaticContact CD2-CE3 3.84Å; H1025-W1054 AromaticContact CD2-CZ3 3.99Å; I1051-W1054 HydrophobicContact CB-CZ2 4.18Å; I1051-W1054 HydrophobicContact CG2-CZ2 3.93Å; I1051-W1054 PolarHBondContact O-NE1 3.43Å; W1054-T1056 PolarHBondContact O-N 3.08Å; W1054-V1057 HydrophobicContact CE3-CB 4.19Å; W1054-V1057 HydrophobicContact CE3-CG2 3.8Å; W1054-V1057 HydrophobicContact CZ3-CG2 4.17Å; W1054-V1057 WeakPolarHBondContact O-CB 3.47Å; W1054-V1057 WeakPolarHBondContact O-CG1 3.34Å; W1054-V1057 PolarHBondContact O-N 2.98Å
1055Q45.9Very low60.4Low145 Ų14559.7 Ų59.768%0.67832%0.323SS*.G310 helixtrans-65-25.1-172.967.6179.9-49.100113.9D1053D1053-Q1055 VanDerWaalsContact CG-NE2 3.3Å; D1053-Q1055 PolarHBondContact O-N 2.98Å; D1053-Q1055 WeakPolarHBondContact OD1-CG 3.47Å; D1053-Q1055 PolarHBondContact OD1-NE2 3.42Å; D1053-Q1055 PolarHBondContact OD2-NE2 2.77Å; D1053-Q1055 VanDerWaalsContact OD2-NE2 3.1Å
1056T53.6Low61Low53 Ų5358.9 Ų58.933%0.32532%0.316SS..G310 helixtrans-100.912.5-178.751.90000113.1H1025 G1026 D1027 W1054 H1058H1025-T1056 CarbonylContact O-C 3.57Å; H1025-T1056 PolarHBondContact O-OG1 3.29Å; G1026-T1056 PolarHBondContact O-OG1 3.28Å; D1027-T1056 HydrophobicContact CB-CG2 4.11Å; D1027-T1056 WeakPolarHBondContact CB-OG1 3.19Å; D1027-T1056 PolarHBondContact N-OG1 3.41Å; W1054-T1056 PolarHBondContact O-N 3.08Å; T1056-H1058 PolarHBondContact O-N 2.94Å; T1056-H1058 PolarHBondContact O-ND1 2.9Å
1057V53Low61.4Low63 Ų6353.3 Ų53.338%0.38228%0.277SS..  trans-61.2128.4-176.576.30000110.8L1023 V1024 H1025 W1054L1023-V1057 HydrophobicContact CD2-CG2 3.58Å; L1023-V1057 HydrophobicContact CG-CG2 3.81Å; V1024-V1057 CarbonylContact O-C 3.48Å; V1024-V1057 VanDerWaalsContact O-CA 3.29Å; V1024-V1057 WeakPolarHBondContact O-CA 3Å; V1024-V1057 WeakPolarHBondContact O-CG2 3.4Å; H1025-V1057 WeakPolarHBondContact O-CA 3.34Å; H1025-V1057 PolarHBondContact O-N 3.14Å; W1054-V1057 HydrophobicContact CE3-CB 4.19Å; W1054-V1057 HydrophobicContact CE3-CG2 3.8Å; W1054-V1057 HydrophobicContact CZ3-CG2 4.17Å; W1054-V1057 WeakPolarHBondContact O-CB 3.47Å; W1054-V1057 WeakPolarHBondContact O-CG1 3.34Å; W1054-V1057 PolarHBondContact O-N 2.98Å
1058H50.6Low61.6Low76 Ų7648.3 Ų48.335%0.35225%0.254SS..EExtended strand (participates in β ladder)trans-150171.5176.962.9-77.1000110.5V1024 T1056 E1064V1024-H1058 WeakPolarHBondContact CA-O 3.39Å; V1024-H1058 WeakPolarHBondContact CB-O 3.07Å; V1024-H1058 PolarHBondContact N-O 3.43Å; V1024-H1058 PolarHBondContact O-N 3.47Å; V1024-H1058 VanDerWaalsContact O-O 3.12Å; T1056-H1058 PolarHBondContact O-N 2.94Å; T1056-H1058 PolarHBondContact O-ND1 2.9Å; H1058-E1064 IonicContact CE1-OE2 2.7Å; H1058-E1064 IonicContact NE2-OE2 2.8Å; H1058-E1064 PolarHBondContact NE2-OE2 3.2Å; H1058-E1064 VanDerWaalsContact NE2-OE2 3.1Å
1059Q46.9Very low62.2Low98 Ų9846.6 Ų46.646%0.45825%0.245SC..EExtended strand (participates in β ladder)trans-89.9123.5176.5179.1169.217.600108.4D1021 V1022D1021-Q1059 HydrophobicContact CB-CB 4.43Å; D1021-Q1059 HydrophobicContact CB-CG 3.16Å; V1022-Q1059 WeakPolarHBondContact O-CA 3.48Å
1060G57.5Low62.2Low5 Ų544.2 Ų44.25%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-169.2-164.9-174.200000114D1021 V1022D1021-G1060 CarbonylContact C-O 3.52Å; D1021-G1060 WeakPolarHBondContact CA-O 3.37Å; V1022-G1060 WeakPolarHBondContact CG2-O 3.09Å; V1022-G1060 PolarHBondContact N-O 2.96Å; V1022-G1060 PolarHBondContact O-N 2.66Å
1061S62.7Low62.2Low20 Ų2043.5 Ų43.514%0.1422%0.215CC..  trans-77142.1-179178.10000111.6V1024 A1063 E1064V1024-S1061 WeakPolarHBondContact CG2-O 3.44Å; S1061-A1063 PolarHBondContact O-N 3.17Å; S1061-A1063 WeakPolarHBondContact OG-CB 3.41Å; S1061-A1063 PolarHBondContact OG-N 3.37Å; S1061-E1064 PolarHBondContact N-OE1 3.36Å; S1061-E1064 VanDerWaalsContact N-OE1 3.09Å; S1061-E1064 WeakPolarHBondContact O-CB 3.41Å; S1061-E1064 WeakPolarHBondContact O-CG 3.07Å; S1061-E1064 PolarHBondContact O-N 3.28Å
1062F68.6Low61.8Low26 Ų2644 Ų4411%0.11422%0.216CC..THydrogen-bonded Turntrans-59.6-21.3172.175.2-87.9000112.5V1022 E1064 I1066 Y1090 V1110 I1113V1022-F1062 HydrophobicContact CG1-CB 4.47Å; V1022-F1062 VanDerWaalsContact CG2-CA 3.49Å; V1022-F1062 HydrophobicContact CG2-CB 3.75Å; V1022-F1062 VanDerWaalsContact CG2-N 3.32Å; F1062-E1064 PolarHBondContact O-N 3.39Å; F1062-I1066 HydrophobicContact CD2-CD1 3.68Å; F1062-I1066 HydrophobicContact CE2-CD1 4Å; F1062-Y1090 HydrophobicContact CB-CE1 3.96Å; F1062-Y1090 WeakPolarHBondContact CB-OH 3.33Å; F1062-Y1090 HydrophobicContact CD1-CE1 4.41Å; F1062-Y1090 AromaticContact CD2-CD1 3.73Å; F1062-Y1090 HydrophobicContact CD2-CD1 3.73Å; F1062-Y1090 AromaticContact CD2-CE1 3.23Å; F1062-Y1090 HydrophobicContact CD2-CE1 3.23Å; F1062-Y1090 AromaticContact CD2-CZ 3.79Å; F1062-Y1090 HydrophobicContact CE2-CD1 4.01Å; F1062-Y1090 AromaticContact CE2-CE1 3.86Å; F1062-Y1090 HydrophobicContact CE2-CE1 3.86Å; F1062-Y1090 HydrophobicContact CG-CD1 4.5Å; F1062-Y1090 AromaticContact CG-CE1 3.59Å; F1062-Y1090 HydrophobicContact CG-CE1 3.59Å; F1062-Y1090 AromaticContact CG-CZ 3.9Å; F1062-V1110 HydrophobicContact CE1-CG1 4.16Å; F1062-V1110 HydrophobicContact CE2-CG1 3.8Å; F1062-V1110 HydrophobicContact CZ-CB 4.44Å; F1062-V1110 HydrophobicContact CZ-CG1 3.39Å; F1062-I1113 HydrophobicContact CE1-CB 4.23Å; F1062-I1113 HydrophobicContact CE1-CG2 3.72Å; F1062-I1113 HydrophobicContact CZ-CB 4.39Å; F1062-I1113 HydrophobicContact CZ-CG2 4.15Å
1063A68.8Low61.4Low0 Ų044.3 Ų44.30%022%0.218CC..Hα-helixtrans-64-23.6177.700000111.9S1061 C1067 F1114 T1117 L1121S1061-A1063 PolarHBondContact O-N 3.17Å; S1061-A1063 WeakPolarHBondContact OG-CB 3.41Å; S1061-A1063 PolarHBondContact OG-N 3.37Å; A1063-C1067 WeakPolarHBondContact O-CB 3.38Å; A1063-C1067 PolarHBondContact O-N 3.44Å; A1063-C1067 PolarHBondContact O-SG 3.45Å; A1063-F1114 HydrophobicContact CB-CD2 3.99Å; A1063-T1117 HydrophobicContact CB-CG2 4.19Å; A1063-L1121 HydrophobicContact CB-CD1 4.1Å
1064E67.3Low61.7Low29 Ų2943.3 Ų43.314%0.13621%0.213CC..Hα-helixtrans-60.8-59.3-179-58.2-162.8-147.500112V1024 H1058 S1061 F1062 I1066 C1067 Y1068 L1121V1024-E1064 HydrophobicContact CG1-CB 3.54Å; V1024-E1064 HydrophobicContact CG1-CG 4.33Å; V1024-E1064 HydrophobicContact CG2-CB 4.19Å; V1024-E1064 HydrophobicContact CG2-CG 4.41Å; H1058-E1064 IonicContact CE1-OE2 2.7Å; H1058-E1064 IonicContact NE2-OE2 2.8Å; H1058-E1064 PolarHBondContact NE2-OE2 3.2Å; H1058-E1064 VanDerWaalsContact NE2-OE2 3.1Å; S1061-E1064 PolarHBondContact N-OE1 3.36Å; S1061-E1064 VanDerWaalsContact N-OE1 3.09Å; S1061-E1064 WeakPolarHBondContact O-CB 3.41Å; S1061-E1064 WeakPolarHBondContact O-CG 3.07Å; S1061-E1064 PolarHBondContact O-N 3.28Å; F1062-E1064 PolarHBondContact O-N 3.39Å; E1064-I1066 PolarHBondContact O-N 3.01Å; E1064-C1067 PolarHBondContact O-N 3.46Å; E1064-Y1068 WeakPolarHBondContact O-CB 3.26Å; E1064-Y1068 PolarHBondContact O-N 2.87Å; E1064-L1121 VanDerWaalsContact CA-CD1 3.5Å; E1064-L1121 HydrophobicContact CB-CD1 4.22Å; E1064-L1121 HydrophobicContact CB-CD2 3.99Å; E1064-L1121 HydrophobicContact CG-CD1 3.78Å; E1064-L1121 HydrophobicContact CG-CD2 3.41Å; E1064-L1121 VanDerWaalsContact CG-CD2 3.41Å; E1064-L1121 HydrophobicContact CG-CG 4.12Å
1065D76.1Confident62Low23 Ų2342.9 Ų42.912%0.12322%0.22CC..Hα-helixtrans-66.4-35.3-179.9-69.9-26.2000112.5V1024 H1025 G1026 Y1028 Y1068 L1069V1024-D1065 WeakPolarHBondContact CA-OD2 3.19Å; V1024-D1065 WeakPolarHBondContact CG1-OD1 3.37Å; H1025-D1065 PolarHBondContact N-OD1 3.46Å; H1025-D1065 PolarHBondContact N-OD2 2.85Å; G1026-D1065 PolarHBondContact N-OD1 3.39Å; Y1028-D1065 HydrophobicContact CD1-CB 4.01Å; Y1028-D1065 HydrophobicContact CG-CB 3.95Å; D1065-Y1068 PolarHBondContact O-N 3.32Å; D1065-L1069 WeakPolarHBondContact O-CB 3.37Å; D1065-L1069 PolarHBondContact O-N 3.48Å
1066I77.4Confident62.6Low15 Ų1540 Ų408%0.07721%0.212CC..Hα-helixtrans-67-42.9174.6-60.9-178.9000110.4F1062 E1064 Y1068 L1069 M1070 V1086 V1087 Y1090 F1114F1062-I1066 HydrophobicContact CD2-CD1 3.68Å; F1062-I1066 HydrophobicContact CE2-CD1 4Å; E1064-I1066 PolarHBondContact O-N 3.01Å; I1066-Y1068 VanDerWaalsContact C-N 3.32Å; I1066-L1069 PolarHBondContact O-N 3.31Å; I1066-M1070 HydrophobicContact CG2-CG 4.13Å; I1066-M1070 VanDerWaalsContact O-CB 3.28Å; I1066-M1070 WeakPolarHBondContact O-CB 3.16Å; I1066-M1070 WeakPolarHBondContact O-CG 3.39Å; I1066-M1070 PolarHBondContact O-N 2.75Å; I1066-V1086 HydrophobicContact CG2-CG1 4.29Å; I1066-V1087 HydrophobicContact CG2-CG2 4.28Å; I1066-Y1090 HydrophobicContact CD1-CD1 3.84Å; I1066-Y1090 HydrophobicContact CD1-CD2 3.85Å; I1066-Y1090 HydrophobicContact CD1-CE1 4.39Å; I1066-Y1090 HydrophobicContact CD1-CE2 4.39Å; I1066-Y1090 HydrophobicContact CD1-CG 3.54Å; I1066-F1114 HydrophobicContact CB-CE2 4.02Å; I1066-F1114 HydrophobicContact CG2-CD2 4.27Å; I1066-F1114 HydrophobicContact CG2-CE2 3.55Å; I1066-F1114 HydrophobicContact CG2-CZ 4.26Å
1067C70.5Confident62.8Low0 Ų039.7 Ų39.70%022%0.22CC..Hα-helixtrans-62.3-43.1175.1-73.40000110.2A1063 E1064 M1070 M1071 F1114 L1118 L1121A1063-C1067 WeakPolarHBondContact O-CB 3.38Å; A1063-C1067 PolarHBondContact O-N 3.44Å; A1063-C1067 PolarHBondContact O-SG 3.45Å; E1064-C1067 PolarHBondContact O-N 3.46Å; C1067-M1070 PolarHBondContact O-N 2.7Å; C1067-M1071 HydrophobicContact CB-SD 4.41Å; C1067-M1071 WeakPolarHBondContact O-CB 3.38Å; C1067-M1071 WeakPolarHBondContact O-CG 3.44Å; C1067-M1071 PolarHBondContact O-N 2.78Å; C1067-F1114 VanDerWaalsContact SG-CE2 3.57Å; C1067-L1118 VanDerWaalsContact SG-CD1 3.51Å; C1067-L1121 HydrophobicContact CB-CB 4.2Å; C1067-L1121 HydrophobicContact CB-CD1 4.05Å
1068Y66.3Low62.9Low13 Ų1340.9 Ų40.95%0.05122%0.224CC..Hα-helixtrans-57.8-51.9175.7-140.8-69.1000111D1027 R1029 E1064 D1065 I1066 M1070 M1071 F1072 Y1125D1027-Y1068 PolarHBondContact OD1-OH 3.31Å; R1029-Y1068 HydrophobicContact CB-CD1 4.29Å; R1029-Y1068 HydrophobicContact CB-CE1 4.08Å; E1064-Y1068 WeakPolarHBondContact O-CB 3.26Å; E1064-Y1068 PolarHBondContact O-N 2.87Å; D1065-Y1068 PolarHBondContact O-N 3.32Å; I1066-Y1068 VanDerWaalsContact C-N 3.32Å; Y1068-M1070 PolarHBondContact O-N 3.48Å; Y1068-M1071 PolarHBondContact O-N 3.32Å; Y1068-F1072 AromaticContact CD1-CD2 3.29Å; Y1068-F1072 HydrophobicContact CD1-CD2 3.29Å; Y1068-F1072 AromaticContact CD1-CE2 3.7Å; Y1068-F1072 HydrophobicContact CD1-CE2 3.7Å; Y1068-F1072 HydrophobicContact CD1-CG 4.15Å; Y1068-F1072 HydrophobicContact CD2-CE2 4.23Å; Y1068-F1072 AromaticContact CE1-CD2 3.33Å; Y1068-F1072 HydrophobicContact CE1-CD2 3.33Å; Y1068-F1072 AromaticContact CE1-CE2 3.46Å; Y1068-F1072 HydrophobicContact CE1-CE2 3.46Å; Y1068-F1072 VanDerWaalsContact CE1-CE2 3.46Å; Y1068-F1072 AromaticContact CE1-CG 4Å; Y1068-F1072 HydrophobicContact CE1-CG 4Å; Y1068-F1072 HydrophobicContact CE1-CZ 4.21Å; Y1068-F1072 HydrophobicContact CE2-CE2 4.08Å; Y1068-F1072 AromaticContact CG-CD2 3.92Å; Y1068-F1072 HydrophobicContact CG-CD2 3.92Å; Y1068-F1072 HydrophobicContact CG-CE2 4.05Å; Y1068-F1072 AromaticContact CZ-CE2 3.67Å; Y1068-F1072 WeakPolarHBondContact O-CD2 3.2Å; Y1068-F1072 PolarHBondContact O-N 3.29Å; Y1068-Y1125 AromaticContact CD2-CD1 3.91Å; Y1068-Y1125 HydrophobicContact CD2-CD1 3.91Å; Y1068-Y1125 HydrophobicContact CD2-CD2 4.13Å; Y1068-Y1125 AromaticContact CD2-CE1 3.58Å; Y1068-Y1125 HydrophobicContact CD2-CE1 3.58Å; Y1068-Y1125 AromaticContact CD2-CE2 3.76Å; Y1068-Y1125 HydrophobicContact CD2-CE2 3.76Å; Y1068-Y1125 HydrophobicContact CD2-CG 4.19Å; Y1068-Y1125 AromaticContact CD2-CZ 3.49Å; Y1068-Y1125 VanDerWaalsContact CD2-CZ 3.49Å; Y1068-Y1125 AromaticContact CE2-CD1 3.51Å; Y1068-Y1125 HydrophobicContact CE2-CD1 3.51Å; Y1068-Y1125 AromaticContact CE2-CE1 3.35Å; Y1068-Y1125 HydrophobicContact CE2-CE1 3.35Å; Y1068-Y1125 HydrophobicContact CE2-CE2 4.35Å; Y1068-Y1125 HydrophobicContact CE2-CG 4.12Å; Y1068-Y1125 AromaticContact CE2-CZ 3.81Å
1069L71.9Confident63.5Low50 Ų5040.7 Ų40.726%0.26222%0.22SC..Hα-helixtrans-56.4-48.8177.6-172.770.5000111.4Y1028 I1033 D1065 I1066 N1073Y1028-L1069 HydrophobicContact CD1-CB 4.23Å; Y1028-L1069 HydrophobicContact CD1-CD1 4.42Å; Y1028-L1069 HydrophobicContact CE1-CD1 4.44Å; I1033-L1069 HydrophobicContact CD1-CD1 3.82Å; D1065-L1069 WeakPolarHBondContact O-CB 3.37Å; D1065-L1069 PolarHBondContact O-N 3.48Å; I1066-L1069 PolarHBondContact O-N 3.31Å; L1069-N1073 WeakPolarHBondContact CA-ND2 3.3Å; L1069-N1073 VanDerWaalsContact O-CB 3.31Å; L1069-N1073 WeakPolarHBondContact O-CB 3.43Å; L1069-N1073 PolarHBondContact O-N 3.38Å; L1069-N1073 VanDerWaalsContact O-N 3.12Å; L1069-N1073 PolarHBondContact O-ND2 3.02Å; L1069-N1073 VanDerWaalsContact O-ND2 3.12Å
1070M70.7Confident64.1Low6 Ų646.2 Ų46.23%0.0324%0.237CC..Hα-helixtrans-72.8-32.8-176.6-68.8-65.8-59.300113.4I1066 C1067 Y1068 V1074 R1079 M1083 V1086I1066-M1070 HydrophobicContact CG2-CG 4.13Å; I1066-M1070 VanDerWaalsContact O-CB 3.28Å; I1066-M1070 WeakPolarHBondContact O-CB 3.16Å; I1066-M1070 WeakPolarHBondContact O-CG 3.39Å; I1066-M1070 PolarHBondContact O-N 2.75Å; C1067-M1070 PolarHBondContact O-N 2.7Å; Y1068-M1070 PolarHBondContact O-N 3.48Å; M1070-V1074 HydrophobicContact CE-CG1 4.47Å; M1070-V1074 HydrophobicContact SD-CG2 4.13Å; M1070-R1079 HydrophobicContact CE-CB 4.3Å; M1070-R1079 HydrophobicContact CE-CG 3.96Å; M1070-R1079 VanDerWaalsContact O-CZ 3.28Å; M1070-R1079 PolarHBondContact O-NE 3.16Å; M1070-R1079 PolarHBondContact O-NH2 3.38Å; M1070-M1083 HydrophobicContact CE-CB 3.84Å; M1070-M1083 HydrophobicContact CE-CG 4.19Å; M1070-V1086 HydrophobicContact SD-CB 4.1Å; M1070-V1086 HydrophobicContact SD-CG1 4.09Å; M1070-V1086 HydrophobicContact SD-CG2 3.8Å
1071M63.4Low64.6Low19 Ų1949.5 Ų49.59%0.09426%0.259CS..Hα-helixtrans-78.9-41.6-178.5-84.6166.25700112.5C1067 Y1068 R1079 T1122 I1129C1067-M1071 HydrophobicContact CB-SD 4.41Å; C1067-M1071 WeakPolarHBondContact O-CB 3.38Å; C1067-M1071 WeakPolarHBondContact O-CG 3.44Å; C1067-M1071 PolarHBondContact O-N 2.78Å; Y1068-M1071 PolarHBondContact O-N 3.32Å; M1071-R1079 PolarHBondContact O-NH2 2.68Å; M1071-T1122 HydrophobicContact CE-CG2 4.46Å; M1071-I1129 HydrophobicContact CE-CD1 3.25Å; M1071-I1129 HydrophobicContact CE-CG1 4.25Å
1072F56.6Low65.1Low55 Ų5553.4 Ų53.424%0.24127%0.273CS..Hα-helixtrans-96.7-24.3-172.1-67.8-82.6000113.9Y1068 I1129Y1068-F1072 AromaticContact CD1-CD2 3.29Å; Y1068-F1072 HydrophobicContact CD1-CD2 3.29Å; Y1068-F1072 AromaticContact CD1-CE2 3.7Å; Y1068-F1072 HydrophobicContact CD1-CE2 3.7Å; Y1068-F1072 HydrophobicContact CD1-CG 4.15Å; Y1068-F1072 HydrophobicContact CD2-CE2 4.23Å; Y1068-F1072 AromaticContact CE1-CD2 3.33Å; Y1068-F1072 HydrophobicContact CE1-CD2 3.33Å; Y1068-F1072 AromaticContact CE1-CE2 3.46Å; Y1068-F1072 HydrophobicContact CE1-CE2 3.46Å; Y1068-F1072 VanDerWaalsContact CE1-CE2 3.46Å; Y1068-F1072 AromaticContact CE1-CG 4Å; Y1068-F1072 HydrophobicContact CE1-CG 4Å; Y1068-F1072 HydrophobicContact CE1-CZ 4.21Å; Y1068-F1072 HydrophobicContact CE2-CE2 4.08Å; Y1068-F1072 AromaticContact CG-CD2 3.92Å; Y1068-F1072 HydrophobicContact CG-CD2 3.92Å; Y1068-F1072 HydrophobicContact CG-CE2 4.05Å; Y1068-F1072 AromaticContact CZ-CE2 3.67Å; Y1068-F1072 WeakPolarHBondContact O-CD2 3.2Å; Y1068-F1072 PolarHBondContact O-N 3.29Å; F1072-I1129 HydrophobicContact CD1-CG1 4.35Å; F1072-I1129 HydrophobicContact CE1-CB 4.25Å; F1072-I1129 HydrophobicContact CE1-CG1 3.46Å; F1072-I1129 VanDerWaalsContact CE1-CG1 3.46Å; F1072-I1129 HydrophobicContact CE2-CG1 4.4Å; F1072-I1129 HydrophobicContact CZ-CD1 4.46Å; F1072-I1129 HydrophobicContact CZ-CG1 3.49Å; F1072-I1129 VanDerWaalsContact CZ-CG1 3.49Å
1073N55.7Low65.5Low60 Ų6054.3 Ų54.332%0.32128%0.279SS..SBendtrans-118.7-4.5-168.7-47-73.3000114.4A1030 L1069A1030-N1073 HydrophobicContact CB-CB 4.23Å; A1030-N1073 WeakPolarHBondContact CB-OD1 3.3Å; A1030-N1073 PolarHBondContact N-OD1 2.76Å; L1069-N1073 WeakPolarHBondContact CA-ND2 3.3Å; L1069-N1073 VanDerWaalsContact O-CB 3.31Å; L1069-N1073 WeakPolarHBondContact O-CB 3.43Å; L1069-N1073 PolarHBondContact O-N 3.38Å; L1069-N1073 VanDerWaalsContact O-N 3.12Å; L1069-N1073 PolarHBondContact O-ND2 3.02Å; L1069-N1073 VanDerWaalsContact O-ND2 3.12Å
1074V56.2Low66.2Low30 Ų3058.4 Ų58.418%0.18230%0.296CS..SBendtrans-122.4124.4-176.1-173.20000110.2M1070 L1078 R1079M1070-V1074 HydrophobicContact CE-CG1 4.47Å; M1070-V1074 HydrophobicContact SD-CG2 4.13Å; V1074-L1078 HydrophobicContact CG1-CB 3.67Å; V1074-L1078 HydrophobicContact CG1-CD2 3.86Å; V1074-L1078 HydrophobicContact CG1-CG 4.07Å; V1074-R1079 HydrophobicContact CG1-CB 4.38Å; V1074-R1079 PolarHBondContact O-NH2 3.3Å
1075N62.8Low67Low114 Ų11460.5 Ų60.561%0.6131%0.308SS*.  trans-59.615617884.119.6000111.4G1077 L1078 R1079N1075-G1077 VanDerWaalsContact C-N 3.26Å; N1075-G1077 PolarHBondContact O-N 3.45Å; N1075-G1077 PolarHBondContact OD1-N 3.5Å; N1075-L1078 PolarHBondContact O-N 3.02Å; N1075-L1078 WeakPolarHBondContact OD1-CB 3.31Å; N1075-L1078 PolarHBondContact OD1-N 3.08Å; N1075-R1079 WeakPolarHBondContact O-CB 3.42Å; N1075-R1079 PolarHBondContact O-N 3.13Å
1076V58.4Low67.1Low84 Ų8461.8 Ų61.851%0.50932%0.317SS..Hα-helixtrans-57.7-37.6-173.41780000112.6R1079 R1080V1076-R1079 PolarHBondContact O-N 3.39Å; V1076-R1080 WeakPolarHBondContact O-CG 3.48Å; V1076-R1080 PolarHBondContact O-N 3.06Å
1077G57.7Low67.3Low48 Ų4861 Ų6150%0.49531%0.313SS..Hα-helixtrans-66.6-43.9179.700000113.4N1075 S1081N1075-G1077 VanDerWaalsContact C-N 3.26Å; N1075-G1077 PolarHBondContact O-N 3.45Å; N1075-G1077 PolarHBondContact OD1-N 3.5Å; G1077-S1081 PolarHBondContact O-N 2.8Å; G1077-S1081 PolarHBondContact O-OG 3.31Å
1078L55.6Low68Low88 Ų8864.9 Ų64.946%0.46133%0.327SS..Hα-helixtrans-72.4-35.1176.9-157.776.3000110.8V1074 N1075 S1081 K1082V1074-L1078 HydrophobicContact CG1-CB 3.67Å; V1074-L1078 HydrophobicContact CG1-CD2 3.86Å; V1074-L1078 HydrophobicContact CG1-CG 4.07Å; N1075-L1078 PolarHBondContact O-N 3.02Å; N1075-L1078 WeakPolarHBondContact OD1-CB 3.31Å; N1075-L1078 PolarHBondContact OD1-N 3.08Å; L1078-S1081 WeakPolarHBondContact CA-OG 3.46Å; L1078-S1081 PolarHBondContact O-N 3.11Å; L1078-S1081 PolarHBondContact O-OG 2.78Å; L1078-K1082 HydrophobicContact CD1-CG 3.97Å; L1078-K1082 HydrophobicContact CG-CG 4.06Å; L1078-K1082 VanDerWaalsContact O-CB 3.3Å; L1078-K1082 WeakPolarHBondContact O-CB 3.4Å; L1078-K1082 PolarHBondContact O-N 3.35Å
1079R62.7Low68.8Low71 Ų7169 Ų6927%0.26835%0.347SS..Hα-helixtrans-58.2-53.6173.7-168.3-174.2-48.6-168.30.3111.2M1070 M1071 V1074 N1075 V1076 S1081 M1083M1070-R1079 HydrophobicContact CE-CB 4.3Å; M1070-R1079 HydrophobicContact CE-CG 3.96Å; M1070-R1079 VanDerWaalsContact O-CZ 3.28Å; M1070-R1079 PolarHBondContact O-NE 3.16Å; M1070-R1079 PolarHBondContact O-NH2 3.38Å; M1071-R1079 PolarHBondContact O-NH2 2.68Å; V1074-R1079 HydrophobicContact CG1-CB 4.38Å; V1074-R1079 PolarHBondContact O-NH2 3.3Å; N1075-R1079 WeakPolarHBondContact O-CB 3.42Å; N1075-R1079 PolarHBondContact O-N 3.13Å; V1076-R1079 PolarHBondContact O-N 3.39Å; R1079-S1081 VanDerWaalsContact C-N 3.29Å; R1079-S1081 PolarHBondContact O-N 3.13Å; R1079-M1083 WeakPolarHBondContact O-CB 3.47Å; R1079-M1083 PolarHBondContact O-N 3.48Å; R1079-M1083 VanDerWaalsContact O-N 3.13Å
1080R59.3Low69.2Low215 Ų21569.6 Ų69.681%0.81135%0.346SS*.Hα-helixtrans-60-37.7178.8-73.8-179.5176.3-175.5-0.5112.7V1076V1076-R1080 WeakPolarHBondContact O-CG 3.48Å; V1076-R1080 PolarHBondContact O-N 3.06Å
1081S67.8Low69.6Low73 Ų7370.2 Ų70.251%0.5135%0.349SS..Hα-helixtrans-89.5-22.1-174.459.60000115.3G1077 L1078 R1079G1077-S1081 PolarHBondContact O-N 2.8Å; G1077-S1081 PolarHBondContact O-OG 3.31Å; L1078-S1081 WeakPolarHBondContact CA-OG 3.46Å; L1078-S1081 PolarHBondContact O-N 3.11Å; L1078-S1081 PolarHBondContact O-OG 2.78Å; R1079-S1081 VanDerWaalsContact C-N 3.29Å; R1079-S1081 PolarHBondContact O-N 3.13Å
1082K74Confident70.6Confident103 Ų10374.1 Ų74.145%0.44837%0.367SS..Hα-helixtrans-121.4-8.6-172.3-59.4-65-175.2177.10115.6L1078 K1084 N1085 V1086L1078-K1082 HydrophobicContact CD1-CG 3.97Å; L1078-K1082 HydrophobicContact CG-CG 4.06Å; L1078-K1082 VanDerWaalsContact O-CB 3.3Å; L1078-K1082 WeakPolarHBondContact O-CB 3.4Å; L1078-K1082 PolarHBondContact O-N 3.35Å; K1082-K1084 VanDerWaalsContact C-N 3.35Å; K1082-K1084 PolarHBondContact O-N 3.05Å; K1082-N1085 WeakPolarHBondContact O-CA 3.22Å; K1082-N1085 VanDerWaalsContact O-CB 3.31Å; K1082-N1085 WeakPolarHBondContact O-CB 3.47Å; K1082-N1085 PolarHBondContact O-N 3.07Å; K1082-V1086 PolarHBondContact O-N 3.17Å
1083M77.3Confident71.5Confident45 Ų4575.4 Ų75.422%0.22237%0.374CS..Hα-helixtrans-51.2-47.9-175.6-174.5161.873.900113.9M1070 R1079 N1085 V1086 V1087 W1111 F1114 L1118M1070-M1083 HydrophobicContact CE-CB 3.84Å; M1070-M1083 HydrophobicContact CE-CG 4.19Å; R1079-M1083 WeakPolarHBondContact O-CB 3.47Å; R1079-M1083 PolarHBondContact O-N 3.48Å; R1079-M1083 VanDerWaalsContact O-N 3.13Å; M1083-N1085 VanDerWaalsContact C-N 3.26Å; M1083-N1085 PolarHBondContact O-N 3.23Å; M1083-V1086 PolarHBondContact O-N 3.17Å; M1083-V1087 PolarHBondContact O-N 3.41Å; M1083-V1087 VanDerWaalsContact O-N 3.11Å; M1083-W1111 HydrophobicContact CE-CH2 4.39Å; M1083-W1111 HydrophobicContact CG-CH2 4.31Å; M1083-F1114 HydrophobicContact CE-CE1 4.31Å; M1083-F1114 HydrophobicContact CG-CE1 3.62Å; M1083-F1114 HydrophobicContact CG-CZ 3.9Å; M1083-F1114 HydrophobicContact SD-CE1 3.7Å; M1083-F1114 HydrophobicContact SD-CZ 3.99Å; M1083-L1118 HydrophobicContact CE-CD2 3.95Å; M1083-L1118 HydrophobicContact SD-CD2 4.12Å
1084K82.5Confident72Confident86 Ų8674.5 Ų74.537%0.37437%0.368SS..Hα-helixtrans-63.9-30.3176.4-164.1165.8-173165.60113.4K1082 R1088 F1107 W1111K1082-K1084 VanDerWaalsContact C-N 3.35Å; K1082-K1084 PolarHBondContact O-N 3.05Å; K1084-R1088 VanDerWaalsContact O-CB 3.25Å; K1084-R1088 WeakPolarHBondContact O-CB 3.19Å; K1084-R1088 PolarHBondContact O-N 3.44Å; K1084-F1107 HydrophobicContact CG-CE1 4.36Å; K1084-F1107 HydrophobicContact CG-CZ 3.88Å; K1084-W1111 HydrophobicContact CB-CE3 4.32Å; K1084-W1111 HydrophobicContact CB-CH2 3.6Å; K1084-W1111 HydrophobicContact CB-CZ2 4.01Å; K1084-W1111 HydrophobicContact CB-CZ3 3.79Å; K1084-W1111 HydrophobicContact CD-CD2 4.2Å; K1084-W1111 HydrophobicContact CD-CH2 4.34Å; K1084-W1111 HydrophobicContact CD-CZ2 3.89Å; K1084-W1111 HydrophobicContact CG-CD2 3.94Å; K1084-W1111 HydrophobicContact CG-CE3 3.86Å; K1084-W1111 HydrophobicContact CG-CH2 3.87Å; K1084-W1111 HydrophobicContact CG-CZ2 3.92Å; K1084-W1111 HydrophobicContact CG-CZ3 3.85Å
1085N83.4Confident72.6Confident72 Ų7277.8 Ų77.839%0.38538%0.38SS..Hα-helixtrans-74-37176.9-61.3-23.6000111.7K1082 M1083 R1088 H1089K1082-N1085 WeakPolarHBondContact O-CA 3.22Å; K1082-N1085 VanDerWaalsContact O-CB 3.31Å; K1082-N1085 WeakPolarHBondContact O-CB 3.47Å; K1082-N1085 PolarHBondContact O-N 3.07Å; M1083-N1085 VanDerWaalsContact C-N 3.26Å; M1083-N1085 PolarHBondContact O-N 3.23Å; N1085-R1088 PolarHBondContact O-N 3.24Å; N1085-R1088 PolarHBondContact OD1-NH1 3.35Å; N1085-H1089 WeakPolarHBondContact O-CB 3.13Å; N1085-H1089 PolarHBondContact O-N 2.84Å
1086V79.5Confident73Confident50 Ų5077.3 Ų77.330%0.30338%0.381SS..Hα-helixtrans-64.4-48.5175.1176.50000110.5I1066 M1070 K1082 M1083 R1088 H1089 Y1090I1066-V1086 HydrophobicContact CG2-CG1 4.29Å; M1070-V1086 HydrophobicContact SD-CB 4.1Å; M1070-V1086 HydrophobicContact SD-CG1 4.09Å; M1070-V1086 HydrophobicContact SD-CG2 3.8Å; K1082-V1086 PolarHBondContact O-N 3.17Å; M1083-V1086 PolarHBondContact O-N 3.17Å; V1086-R1088 VanDerWaalsContact C-N 3.28Å; V1086-R1088 PolarHBondContact O-N 3.19Å; V1086-H1089 PolarHBondContact O-N 3.15Å; V1086-H1089 VanDerWaalsContact O-N 3.14Å; V1086-Y1090 PolarHBondContact O-N 3.33Å
1087V80.6Confident73Confident0 Ų079.6 Ų79.60%039%0.39CS..Hα-helixtrans-63.1-36.5176.3-178.80000111.4I1066 M1083 Y1090 F1091 F1107 V1110 W1111 F1114I1066-V1087 HydrophobicContact CG2-CG2 4.28Å; M1083-V1087 PolarHBondContact O-N 3.41Å; M1083-V1087 VanDerWaalsContact O-N 3.11Å; V1087-Y1090 PolarHBondContact O-N 2.72Å; V1087-F1091 WeakPolarHBondContact O-CB 3.25Å; V1087-F1091 PolarHBondContact O-N 2.93Å; V1087-F1107 HydrophobicContact CG1-CE2 4.24Å; V1087-V1110 HydrophobicContact CG1-CG1 4.02Å; V1087-W1111 HydrophobicContact CB-CE3 3.84Å; V1087-W1111 HydrophobicContact CB-CZ3 3.94Å; V1087-W1111 HydrophobicContact CG1-CE3 3.91Å; V1087-W1111 HydrophobicContact CG1-CZ3 4.46Å; V1087-W1111 HydrophobicContact CG2-CE3 4.07Å; V1087-W1111 HydrophobicContact CG2-CZ3 3.76Å; V1087-F1114 HydrophobicContact CG1-CB 4.29Å; V1087-F1114 HydrophobicContact CG1-CG 4.48Å; V1087-F1114 HydrophobicContact CG2-CB 4.36Å; V1087-F1114 HydrophobicContact CG2-CD1 3.83Å; V1087-F1114 HydrophobicContact CG2-CD2 3.72Å; V1087-F1114 HydrophobicContact CG2-CE1 4.01Å; V1087-F1114 HydrophobicContact CG2-CE2 3.9Å; V1087-F1114 HydrophobicContact CG2-CG 3.68Å; V1087-F1114 HydrophobicContact CG2-CZ 4.04Å
1088R85.3Confident73.1Confident80 Ų8079.6 Ų79.630%0.30238%0.38SS..Hα-helixtrans-66.2-39.7174.7-168.2-179.4-61.7105.5-5.8112.1K1084 N1085 V1086 F1091 Q1092 F1107K1084-R1088 VanDerWaalsContact O-CB 3.25Å; K1084-R1088 WeakPolarHBondContact O-CB 3.19Å; K1084-R1088 PolarHBondContact O-N 3.44Å; N1085-R1088 PolarHBondContact O-N 3.24Å; N1085-R1088 PolarHBondContact OD1-NH1 3.35Å; V1086-R1088 VanDerWaalsContact C-N 3.28Å; V1086-R1088 PolarHBondContact O-N 3.19Å; R1088-F1091 WeakPolarHBondContact O-CB 3.44Å; R1088-F1091 PolarHBondContact O-N 3.36Å; R1088-Q1092 WeakPolarHBondContact O-CG 3.23Å; R1088-Q1092 PolarHBondContact O-N 2.87Å; R1088-F1107 HydrophobicContact CB-CD2 4.08Å; R1088-F1107 HydrophobicContact CB-CE2 3.51Å; R1088-F1107 HydrophobicContact CB-CZ 3.86Å; R1088-F1107 HydrophobicContact CG-CD2 4.04Å; R1088-F1107 HydrophobicContact CG-CE2 3.94Å; R1088-F1107 HydrophobicContact CG-CG 4.5Å; R1088-F1107 HydrophobicContact CG-CZ 4.29Å
1089H83.9Confident72.8Confident101 Ų10178.6 Ų78.647%0.46838%0.379SS..Hα-helixtrans-65.7-44.9175.7-16774.7000110.9N1085 V1086 F1091 Q1092 Q1093N1085-H1089 WeakPolarHBondContact O-CB 3.13Å; N1085-H1089 PolarHBondContact O-N 2.84Å; V1086-H1089 PolarHBondContact O-N 3.15Å; V1086-H1089 VanDerWaalsContact O-N 3.14Å; H1089-F1091 VanDerWaalsContact C-N 3.32Å; H1089-F1091 PolarHBondContact O-N 2.95Å; H1089-Q1092 WeakPolarHBondContact O-CB 3.21Å; H1089-Q1092 PolarHBondContact O-N 3.42Å; H1089-Q1092 VanDerWaalsContact O-N 3.11Å; H1089-Q1093 PolarHBondContact CE1-NE2 3.05Å; H1089-Q1093 VanDerWaalsContact CE1-NE2 3.35Å; H1089-Q1093 PolarHBondContact NE2-NE2 3.24Å; H1089-Q1093 WeakPolarHBondContact O-CG 3.38Å; H1089-Q1093 PolarHBondContact O-N 2.88Å
1090Y79Confident71.9Confident62 Ų6279 Ų7924%0.24339%0.39CS..Hα-helixtrans-54.8-47.6172.2176-96.6000111.7F1062 I1066 V1086 V1087 Q1092 Q1093 M1094F1062-Y1090 HydrophobicContact CB-CE1 3.96Å; F1062-Y1090 WeakPolarHBondContact CB-OH 3.33Å; F1062-Y1090 HydrophobicContact CD1-CE1 4.41Å; F1062-Y1090 AromaticContact CD2-CD1 3.73Å; F1062-Y1090 HydrophobicContact CD2-CD1 3.73Å; F1062-Y1090 AromaticContact CD2-CE1 3.23Å; F1062-Y1090 HydrophobicContact CD2-CE1 3.23Å; F1062-Y1090 AromaticContact CD2-CZ 3.79Å; F1062-Y1090 HydrophobicContact CE2-CD1 4.01Å; F1062-Y1090 AromaticContact CE2-CE1 3.86Å; F1062-Y1090 HydrophobicContact CE2-CE1 3.86Å; F1062-Y1090 HydrophobicContact CG-CD1 4.5Å; F1062-Y1090 AromaticContact CG-CE1 3.59Å; F1062-Y1090 HydrophobicContact CG-CE1 3.59Å; F1062-Y1090 AromaticContact CG-CZ 3.9Å; I1066-Y1090 HydrophobicContact CD1-CD1 3.84Å; I1066-Y1090 HydrophobicContact CD1-CD2 3.85Å; I1066-Y1090 HydrophobicContact CD1-CE1 4.39Å; I1066-Y1090 HydrophobicContact CD1-CE2 4.39Å; I1066-Y1090 HydrophobicContact CD1-CG 3.54Å; V1086-Y1090 PolarHBondContact O-N 3.33Å; V1087-Y1090 PolarHBondContact O-N 2.72Å; Y1090-Q1092 VanDerWaalsContact C-N 3.35Å; Y1090-Q1092 PolarHBondContact O-N 3.11Å; Y1090-Q1093 PolarHBondContact O-N 3.48Å; Y1090-M1094 HydrophobicContact CD1-CG 4.13Å; Y1090-M1094 HydrophobicContact CD2-CG 4.42Å; Y1090-M1094 HydrophobicContact CE1-CG 3.65Å; Y1090-M1094 HydrophobicContact CE2-CG 3.97Å; Y1090-M1094 HydrophobicContact CE2-SD 4.36Å; Y1090-M1094 HydrophobicContact CG-CG 4.49Å; Y1090-M1094 WeakPolarHBondContact O-CB 3.27Å; Y1090-M1094 WeakPolarHBondContact O-CG 3.26Å; Y1090-M1094 PolarHBondContact O-N 3.4Å
1091F80.8Confident71.4Confident18 Ų1873.5 Ų73.58%0.07938%0.375CS..Hα-helixtrans-57.8-44.4174.9173-106.9000112.5V1087 R1088 H1089 M1094 K1095 M1102 V1105 F1107 V1110V1087-F1091 WeakPolarHBondContact O-CB 3.25Å; V1087-F1091 PolarHBondContact O-N 2.93Å; R1088-F1091 WeakPolarHBondContact O-CB 3.44Å; R1088-F1091 PolarHBondContact O-N 3.36Å; H1089-F1091 VanDerWaalsContact C-N 3.32Å; H1089-F1091 PolarHBondContact O-N 2.95Å; F1091-M1094 PolarHBondContact O-N 3.14Å; F1091-K1095 HydrophobicContact CE1-CD 4.31Å; F1091-K1095 HydrophobicContact CZ-CD 4.19Å; F1091-K1095 WeakPolarHBondContact O-CB 3.41Å; F1091-K1095 PolarHBondContact O-N 3.18Å; F1091-M1102 HydrophobicContact CD2-CE 3.29Å; F1091-M1102 HydrophobicContact CE2-CE 3.46Å; F1091-M1102 VanDerWaalsContact CE2-CE 3.46Å; F1091-M1102 HydrophobicContact CG-CE 4.45Å; F1091-V1105 HydrophobicContact CE2-CB 4.45Å; F1091-V1105 HydrophobicContact CE2-CG1 4.19Å; F1091-V1105 VanDerWaalsContact CE2-O 3.31Å; F1091-V1105 WeakPolarHBondContact CE2-O 3.13Å; F1091-V1105 VanDerWaalsContact CZ-O 3.24Å; F1091-V1105 WeakPolarHBondContact CZ-O 3.49Å; F1091-F1107 HydrophobicContact CB-CD2 4.03Å; F1091-F1107 HydrophobicContact CD1-CB 3.75Å; F1091-F1107 HydrophobicContact CD1-CD2 4.09Å; F1091-F1107 HydrophobicContact CD1-CG 4.36Å; F1091-F1107 HydrophobicContact CE1-CB 3.74Å; F1091-F1107 HydrophobicContact CG-CB 4.27Å; F1091-F1107 HydrophobicContact CG-CD2 4.12Å; F1091-F1107 HydrophobicContact CZ-CB 4.24Å; F1091-V1110 HydrophobicContact CB-CG1 4.49Å; F1091-V1110 HydrophobicContact CD2-CB 4.29Å; F1091-V1110 HydrophobicContact CD2-CG2 3.7Å; F1091-V1110 HydrophobicContact CE2-CG2 4.18Å
1092Q82.5Confident71Confident101 Ų10170.7 Ų70.747%0.47235%0.354SS..Hα-helixtrans-65-41.5177.4-74.1172.2-17.200112.4R1088 H1089 Y1090 K1095 T1096R1088-Q1092 WeakPolarHBondContact O-CG 3.23Å; R1088-Q1092 PolarHBondContact O-N 2.87Å; H1089-Q1092 WeakPolarHBondContact O-CB 3.21Å; H1089-Q1092 PolarHBondContact O-N 3.42Å; H1089-Q1092 VanDerWaalsContact O-N 3.11Å; Y1090-Q1092 VanDerWaalsContact C-N 3.35Å; Y1090-Q1092 PolarHBondContact O-N 3.11Å; Q1092-K1095 PolarHBondContact O-N 3.48Å; Q1092-T1096 PolarHBondContact O-N 3.13Å; Q1092-T1096 PolarHBondContact O-OG1 3.35Å
1093Q77.1Confident69.9Low82 Ų8269.4 Ų69.438%0.38336%0.362SS..Hα-helixtrans-65.4-45.8176.2-68.4-60.9-19.200111.1H1089 Y1090 K1095 T1096 L1097H1089-Q1093 PolarHBondContact CE1-NE2 3.05Å; H1089-Q1093 VanDerWaalsContact CE1-NE2 3.35Å; H1089-Q1093 PolarHBondContact NE2-NE2 3.24Å; H1089-Q1093 WeakPolarHBondContact O-CG 3.38Å; H1089-Q1093 PolarHBondContact O-N 2.88Å; Y1090-Q1093 PolarHBondContact O-N 3.48Å; Q1093-K1095 VanDerWaalsContact C-N 3.25Å; Q1093-K1095 PolarHBondContact O-N 3.41Å; Q1093-T1096 CarbonylContact O-C 3.56Å; Q1093-T1096 WeakPolarHBondContact O-CA 3.29Å; Q1093-T1096 WeakPolarHBondContact O-CB 3.01Å; Q1093-T1096 PolarHBondContact O-N 3.13Å; Q1093-L1097 WeakPolarHBondContact O-CB 3.47Å; Q1093-L1097 WeakPolarHBondContact O-CG 3.17Å; Q1093-L1097 PolarHBondContact O-N 3.39Å
1094M64.9Low68.6Low42 Ų4272.1 Ų72.121%0.20739%0.386CS..Hα-helixtrans-58.6-39173.4-75.6-65-73.200111.7Y1090 F1091 T1096 V1098 M1102Y1090-M1094 HydrophobicContact CD1-CG 4.13Å; Y1090-M1094 HydrophobicContact CD2-CG 4.42Å; Y1090-M1094 HydrophobicContact CE1-CG 3.65Å; Y1090-M1094 HydrophobicContact CE2-CG 3.97Å; Y1090-M1094 HydrophobicContact CE2-SD 4.36Å; Y1090-M1094 HydrophobicContact CG-CG 4.49Å; Y1090-M1094 WeakPolarHBondContact O-CB 3.27Å; Y1090-M1094 WeakPolarHBondContact O-CG 3.26Å; Y1090-M1094 PolarHBondContact O-N 3.4Å; F1091-M1094 PolarHBondContact O-N 3.14Å; M1094-T1096 PolarHBondContact O-N 2.97Å; M1094-V1098 HydrophobicContact CE-CG2 3.81Å; M1094-V1098 CarbonylContact O-C 3.52Å; M1094-V1098 VanDerWaalsContact O-C 3.3Å; M1094-V1098 WeakPolarHBondContact O-CA 3.2Å; M1094-V1098 WeakPolarHBondContact O-CG2 3.16Å; M1094-V1098 PolarHBondContact O-N 3.04Å; M1094-V1098 HydrophobicContact SD-CG2 4.04Å; M1094-M1102 HydrophobicContact CB-CE 3.91Å; M1094-M1102 HydrophobicContact CB-CG 3.88Å; M1094-M1102 HydrophobicContact CB-SD 4.13Å; M1094-M1102 WeakPolarHBondContact O-CG 3.36Å
1095K70.2Confident67.1Low98 Ų9870.1 Ų70.143%0.42638%0.381SS..Hα-helixtrans-68-22.8175-151.2174.6-169.7178.90113.2F1091 Q1092 Q1093 P1099 M1102F1091-K1095 HydrophobicContact CE1-CD 4.31Å; F1091-K1095 HydrophobicContact CZ-CD 4.19Å; F1091-K1095 WeakPolarHBondContact O-CB 3.41Å; F1091-K1095 PolarHBondContact O-N 3.18Å; Q1092-K1095 PolarHBondContact O-N 3.48Å; Q1093-K1095 VanDerWaalsContact C-N 3.25Å; Q1093-K1095 PolarHBondContact O-N 3.41Å; K1095-P1099 WeakPolarHBondContact O-CA 3.31Å; K1095-P1099 VanDerWaalsContact O-CB 3.22Å; K1095-P1099 WeakPolarHBondContact O-CB 3.34Å; K1095-M1102 HydrophobicContact CB-CB 4.17Å; K1095-M1102 HydrophobicContact CG-CB 3.99Å
1096T69.8Low66.4Low104 Ų10469.1 Ų69.164%0.63838%0.38SS*.Hα-helixtrans-88.4-40.6178-52.10000111.8Q1092 Q1093 M1094 P1099Q1092-T1096 PolarHBondContact O-N 3.13Å; Q1092-T1096 PolarHBondContact O-OG1 3.35Å; Q1093-T1096 CarbonylContact O-C 3.56Å; Q1093-T1096 WeakPolarHBondContact O-CA 3.29Å; Q1093-T1096 WeakPolarHBondContact O-CB 3.01Å; Q1093-T1096 PolarHBondContact O-N 3.13Å; M1094-T1096 PolarHBondContact O-N 2.97Å; T1096-P1099 WeakPolarHBondContact O-CD 3.34Å
1097L58.9Low66Low133 Ų13368.1 Ų68.170%0.69637%0.371SS*.Hα-helixtrans-81.7-38.9-177.5-68168.9000112.6Q1093Q1093-L1097 WeakPolarHBondContact O-CB 3.47Å; Q1093-L1097 WeakPolarHBondContact O-CG 3.17Å; Q1093-L1097 PolarHBondContact O-N 3.39Å
1098V60.5Low65.6Low48 Ų4873.4 Ų73.429%0.29140%0.399SS..SBendtrans-128.756.8179.4-112.40000110.2M1094 T1100 I1101 M1102M1094-V1098 HydrophobicContact CE-CG2 3.81Å; M1094-V1098 CarbonylContact O-C 3.52Å; M1094-V1098 VanDerWaalsContact O-C 3.3Å; M1094-V1098 WeakPolarHBondContact O-CA 3.2Å; M1094-V1098 WeakPolarHBondContact O-CG2 3.16Å; M1094-V1098 PolarHBondContact O-N 3.04Å; M1094-V1098 HydrophobicContact SD-CG2 4.04Å; V1098-T1100 PolarHBondContact O-N 3.42Å; V1098-I1101 HydrophobicContact CB-CB 4.44Å; V1098-I1101 HydrophobicContact CB-CD1 4.42Å; V1098-I1101 HydrophobicContact CG1-CD1 3.88Å; V1098-I1101 HydrophobicContact CG1-CG1 4.25Å; V1098-I1101 PolarHBondContact O-N 2.96Å; V1098-I1101 VanDerWaalsContact O-N 3.1Å; V1098-M1102 PolarHBondContact O-N 2.96Å; V1098-M1102 VanDerWaalsContact O-N 3.08Å
1099P49.7Very low64.3Low67 Ų6772.5 Ų72.544%0.43541%0.405SS..Hα-helixtrans-53.9-33.9-177.619.7-30.5000112K1095 T1096 M1102 A1103K1095-P1099 WeakPolarHBondContact O-CA 3.31Å; K1095-P1099 VanDerWaalsContact O-CB 3.22Å; K1095-P1099 WeakPolarHBondContact O-CB 3.34Å; T1096-P1099 WeakPolarHBondContact O-CD 3.34Å; P1099-M1102 PolarHBondContact O-N 3.5Å; P1099-A1103 WeakPolarHBondContact O-CA 3.14Å; P1099-A1103 WeakPolarHBondContact O-CB 3.37Å; P1099-A1103 PolarHBondContact O-N 2.89Å
1100T43.7Very low63.4Low80 Ų8068 Ų6849%0.49139%0.385SS..Hα-helixtrans-66.5-37.5-178.1-2.20000113.6V1098 N1722V1098-T1100 PolarHBondContact O-N 3.42Å; T1100-N1722 WeakPolarHBondContact CB-ND2 3.26Å; T1100-N1722 HydrophobicContact CG2-CB 3.58Å; T1100-N1722 WeakPolarHBondContact CG2-ND2 3.33Å; T1100-N1722 PolarHBondContact O-ND2 3.11Å
1101I47.7Very low63.4Low98 Ų9866.2 Ų66.250%0.50338%0.378SS..Hα-helixtrans-80.5-41.6176.2-60.5178.8000109.9V1098 A1103V1098-I1101 HydrophobicContact CB-CB 4.44Å; V1098-I1101 HydrophobicContact CB-CD1 4.42Å; V1098-I1101 HydrophobicContact CG1-CD1 3.88Å; V1098-I1101 HydrophobicContact CG1-CG1 4.25Å; V1098-I1101 PolarHBondContact O-N 2.96Å; V1098-I1101 VanDerWaalsContact O-N 3.1Å; I1101-A1103 VanDerWaalsContact C-N 3.27Å; I1101-A1103 PolarHBondContact O-N 3.48Å
1102M59.1Low62.7Low15 Ų1570.4 Ų70.47%0.07440%0.397CS..Hα-helixtrans-81-4.3-174.4-63.9-60.6-72.900113.8F1091 M1094 K1095 V1098 P1099 S1104 V1105 V1110F1091-M1102 HydrophobicContact CD2-CE 3.29Å; F1091-M1102 HydrophobicContact CE2-CE 3.46Å; F1091-M1102 VanDerWaalsContact CE2-CE 3.46Å; F1091-M1102 HydrophobicContact CG-CE 4.45Å; M1094-M1102 HydrophobicContact CB-CE 3.91Å; M1094-M1102 HydrophobicContact CB-CG 3.88Å; M1094-M1102 HydrophobicContact CB-SD 4.13Å; M1094-M1102 WeakPolarHBondContact O-CG 3.36Å; K1095-M1102 HydrophobicContact CB-CB 4.17Å; K1095-M1102 HydrophobicContact CG-CB 3.99Å; V1098-M1102 PolarHBondContact O-N 2.96Å; V1098-M1102 VanDerWaalsContact O-N 3.08Å; P1099-M1102 PolarHBondContact O-N 3.5Å; M1102-S1104 PolarHBondContact O-N 2.91Å; M1102-V1105 HydrophobicContact CE-CB 4.14Å; M1102-V1105 HydrophobicContact CE-CG1 4.01Å; M1102-V1105 PolarHBondContact O-N 3.24Å; M1102-V1105 VanDerWaalsContact O-N 3.1Å; M1102-V1105 HydrophobicContact SD-CB 4.23Å; M1102-V1105 HydrophobicContact SD-CG1 4.45Å; M1102-V1105 HydrophobicContact SD-CG2 4.23Å; M1102-V1110 HydrophobicContact CE-CG2 4.27Å
1103A52.6Low61.6Low75 Ų7568.3 Ų68.362%0.6239%0.389SS*.THydrogen-bonded Turntrans-55.4-38.3-179.300000112.8P1099 I1101P1099-A1103 WeakPolarHBondContact O-CA 3.14Å; P1099-A1103 WeakPolarHBondContact O-CB 3.37Å; P1099-A1103 PolarHBondContact O-N 2.89Å; I1101-A1103 VanDerWaalsContact C-N 3.27Å; I1101-A1103 PolarHBondContact O-N 3.48Å
1104S48.8Very low61.2Low103 Ų10364.4 Ų64.472%0.7237%0.371SS*.THydrogen-bonded Turntrans-96.82.5179.860.50000114.6M1102M1102-S1104 PolarHBondContact O-N 2.91Å
1105V51.7Low61.1Low43 Ų4366.8 Ų66.826%0.26138%0.381SS..  trans-101.5124.4-174.6-176.40000109.3F1091 M1102 V1110F1091-V1105 HydrophobicContact CE2-CB 4.45Å; F1091-V1105 HydrophobicContact CE2-CG1 4.19Å; F1091-V1105 VanDerWaalsContact CE2-O 3.31Å; F1091-V1105 WeakPolarHBondContact CE2-O 3.13Å; F1091-V1105 VanDerWaalsContact CZ-O 3.24Å; F1091-V1105 WeakPolarHBondContact CZ-O 3.49Å; M1102-V1105 HydrophobicContact CE-CB 4.14Å; M1102-V1105 HydrophobicContact CE-CG1 4.01Å; M1102-V1105 PolarHBondContact O-N 3.24Å; M1102-V1105 VanDerWaalsContact O-N 3.1Å; M1102-V1105 HydrophobicContact SD-CB 4.23Å; M1102-V1105 HydrophobicContact SD-CG1 4.45Å; M1102-V1105 HydrophobicContact SD-CG2 4.23Å; V1105-V1110 HydrophobicContact CG1-CG2 3.54Å
1106S67.5Low60.4Low52 Ų5268.1 Ų68.136%0.36439%0.387SS..  trans-86.8155.6172.875.60000110.8D1108 S1109 V1110S1106-D1108 PolarHBondContact O-N 3.38Å; S1106-S1109 PolarHBondContact O-N 3.11Å; S1106-S1109 PolarHBondContact OG-N 3.43Å; S1106-S1109 PolarHBondContact OG-OG 3.2Å; S1106-S1109 VanDerWaalsContact OG-OG 3.13Å; S1106-V1110 PolarHBondContact O-N 3.18Å
1107F72.7Confident59.7Low29 Ų2964.6 Ų64.613%0.12737%0.366CS..Hα-helixtrans-58.8-37173.1170.5-109000111.3K1084 V1087 R1088 F1091 S1109 V1110 W1111K1084-F1107 HydrophobicContact CG-CE1 4.36Å; K1084-F1107 HydrophobicContact CG-CZ 3.88Å; V1087-F1107 HydrophobicContact CG1-CE2 4.24Å; R1088-F1107 HydrophobicContact CB-CD2 4.08Å; R1088-F1107 HydrophobicContact CB-CE2 3.51Å; R1088-F1107 HydrophobicContact CB-CZ 3.86Å; R1088-F1107 HydrophobicContact CG-CD2 4.04Å; R1088-F1107 HydrophobicContact CG-CE2 3.94Å; R1088-F1107 HydrophobicContact CG-CG 4.5Å; R1088-F1107 HydrophobicContact CG-CZ 4.29Å; F1091-F1107 HydrophobicContact CB-CD2 4.03Å; F1091-F1107 HydrophobicContact CD1-CB 3.75Å; F1091-F1107 HydrophobicContact CD1-CD2 4.09Å; F1091-F1107 HydrophobicContact CD1-CG 4.36Å; F1091-F1107 HydrophobicContact CE1-CB 3.74Å; F1091-F1107 HydrophobicContact CG-CB 4.27Å; F1091-F1107 HydrophobicContact CG-CD2 4.12Å; F1091-F1107 HydrophobicContact CZ-CB 4.24Å; F1107-S1109 VanDerWaalsContact C-N 3.3Å; F1107-S1109 PolarHBondContact O-N 3.44Å; F1107-V1110 PolarHBondContact O-N 2.66Å; F1107-V1110 VanDerWaalsContact O-N 3.14Å; F1107-W1111 HydrophobicContact CE1-CB 4.21Å; F1107-W1111 HydrophobicContact CE1-CG 4.47Å; F1107-W1111 HydrophobicContact CE2-CB 4.32Å; F1107-W1111 HydrophobicContact CZ-CB 4.02Å; F1107-W1111 HydrophobicContact CZ-CD2 4.36Å; F1107-W1111 HydrophobicContact CZ-CE3 4.28Å; F1107-W1111 HydrophobicContact CZ-CG 4.27Å; F1107-W1111 WeakPolarHBondContact O-CB 3.23Å; F1107-W1111 PolarHBondContact O-N 3.09Å
1108D71.6Confident59.8Low110 Ų11060.2 Ų60.259%0.58834%0.343SS*.Hα-helixtrans-63.6-36.4-179.3-61.3-49000112.1S1106 W1111 H1112S1106-D1108 PolarHBondContact O-N 3.38Å; D1108-W1111 PolarHBondContact O-N 2.7Å; D1108-H1112 VanDerWaalsContact O-CB 3.26Å; D1108-H1112 WeakPolarHBondContact O-CB 3.45Å; D1108-H1112 PolarHBondContact O-N 3.14Å
1109S57.3Low59.3Low61 Ų6161.3 Ų61.343%0.42735%0.351SS..Hα-helixtrans-63.3-43.7173-57.80000111.9S1106 F1107 H1112 I1113S1106-S1109 PolarHBondContact O-N 3.11Å; S1106-S1109 PolarHBondContact OG-N 3.43Å; S1106-S1109 PolarHBondContact OG-OG 3.2Å; S1106-S1109 VanDerWaalsContact OG-OG 3.13Å; F1107-S1109 VanDerWaalsContact C-N 3.3Å; F1107-S1109 PolarHBondContact O-N 3.44Å; S1109-H1112 PolarHBondContact O-N 3.06Å; S1109-I1113 WeakPolarHBondContact O-CD1 3.05Å; S1109-I1113 VanDerWaalsContact O-CG1 3.26Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.46Å; S1109-I1113 PolarHBondContact O-N 3.3Å
1110V66.3Low59Low7 Ų766.1 Ų66.14%0.04236%0.36CS..Hα-helixtrans-67.9-40.9178.71780000111.5F1062 V1087 F1091 M1102 V1105 S1106 F1107 I1113 F1114F1062-V1110 HydrophobicContact CE1-CG1 4.16Å; F1062-V1110 HydrophobicContact CE2-CG1 3.8Å; F1062-V1110 HydrophobicContact CZ-CB 4.44Å; F1062-V1110 HydrophobicContact CZ-CG1 3.39Å; V1087-V1110 HydrophobicContact CG1-CG1 4.02Å; F1091-V1110 HydrophobicContact CB-CG1 4.49Å; F1091-V1110 HydrophobicContact CD2-CB 4.29Å; F1091-V1110 HydrophobicContact CD2-CG2 3.7Å; F1091-V1110 HydrophobicContact CE2-CG2 4.18Å; M1102-V1110 HydrophobicContact CE-CG2 4.27Å; V1105-V1110 HydrophobicContact CG1-CG2 3.54Å; S1106-V1110 PolarHBondContact O-N 3.18Å; F1107-V1110 PolarHBondContact O-N 2.66Å; F1107-V1110 VanDerWaalsContact O-N 3.14Å; V1110-I1113 PolarHBondContact O-N 2.99Å; V1110-F1114 PolarHBondContact O-N 3.14Å
1111W78.9Confident59.3Low25 Ų2562.7 Ų62.710%0.09534%0.339CS..Hα-helixtrans-63.8-41.8175.6-176.8-107.8000111.5M1083 K1084 V1087 F1107 D1108 F1114 E1115M1083-W1111 HydrophobicContact CE-CH2 4.39Å; M1083-W1111 HydrophobicContact CG-CH2 4.31Å; K1084-W1111 HydrophobicContact CB-CE3 4.32Å; K1084-W1111 HydrophobicContact CB-CH2 3.6Å; K1084-W1111 HydrophobicContact CB-CZ2 4.01Å; K1084-W1111 HydrophobicContact CB-CZ3 3.79Å; K1084-W1111 HydrophobicContact CD-CD2 4.2Å; K1084-W1111 HydrophobicContact CD-CH2 4.34Å; K1084-W1111 HydrophobicContact CD-CZ2 3.89Å; K1084-W1111 HydrophobicContact CG-CD2 3.94Å; K1084-W1111 HydrophobicContact CG-CE3 3.86Å; K1084-W1111 HydrophobicContact CG-CH2 3.87Å; K1084-W1111 HydrophobicContact CG-CZ2 3.92Å; K1084-W1111 HydrophobicContact CG-CZ3 3.85Å; V1087-W1111 HydrophobicContact CB-CE3 3.84Å; V1087-W1111 HydrophobicContact CB-CZ3 3.94Å; V1087-W1111 HydrophobicContact CG1-CE3 3.91Å; V1087-W1111 HydrophobicContact CG1-CZ3 4.46Å; V1087-W1111 HydrophobicContact CG2-CE3 4.07Å; V1087-W1111 HydrophobicContact CG2-CZ3 3.76Å; F1107-W1111 HydrophobicContact CE1-CB 4.21Å; F1107-W1111 HydrophobicContact CE1-CG 4.47Å; F1107-W1111 HydrophobicContact CE2-CB 4.32Å; F1107-W1111 HydrophobicContact CZ-CB 4.02Å; F1107-W1111 HydrophobicContact CZ-CD2 4.36Å; F1107-W1111 HydrophobicContact CZ-CE3 4.28Å; F1107-W1111 HydrophobicContact CZ-CG 4.27Å; F1107-W1111 WeakPolarHBondContact O-CB 3.23Å; F1107-W1111 PolarHBondContact O-N 3.09Å; D1108-W1111 PolarHBondContact O-N 2.7Å; W1111-F1114 HydrophobicContact CE3-CD1 4.25Å; W1111-F1114 HydrophobicContact CH2-CD1 4.29Å; W1111-F1114 HydrophobicContact CH2-CE1 4.47Å; W1111-F1114 AromaticContact CZ3-CD1 3.78Å; W1111-F1114 HydrophobicContact CZ3-CD1 3.78Å; W1111-F1114 HydrophobicContact CZ3-CE1 4.17Å; W1111-F1114 PolarHBondContact O-N 3Å; W1111-E1115 HydrophobicContact CD2-CG 4.42Å; W1111-E1115 VanDerWaalsContact CE2-OE1 3.32Å; W1111-E1115 HydrophobicContact CZ2-CG 4.01Å; W1111-E1115 PolarHBondContact NE1-OE1 3.06Å; W1111-E1115 PolarHBondContact NE1-OE2 2.94Å; W1111-E1115 PolarHBondContact O-N 3.3Å
1112H64.5Low59.2Low105 Ų10560.3 Ų60.349%0.48633%0.329SS..Hα-helixtrans-64.4-40.9176.7-167.971.7000112.3D1108 S1109 E1115 K1116D1108-H1112 VanDerWaalsContact O-CB 3.26Å; D1108-H1112 WeakPolarHBondContact O-CB 3.45Å; D1108-H1112 PolarHBondContact O-N 3.14Å; S1109-H1112 PolarHBondContact O-N 3.06Å; H1112-E1115 PolarHBondContact O-N 3.07Å; H1112-K1116 WeakPolarHBondContact O-CB 3.41Å; H1112-K1116 VanDerWaalsContact O-CG 3.27Å; H1112-K1116 WeakPolarHBondContact O-CG 3.37Å; H1112-K1116 PolarHBondContact O-N 3.16Å
1113I59.8Low58.3Low58 Ų5861.8 Ų61.830%0.29734%0.337SS..Hα-helixtrans-58.7-51.6173-67.6161.8000109.4F1062 S1109 V1110 E1115 K1116 T1117F1062-I1113 HydrophobicContact CE1-CB 4.23Å; F1062-I1113 HydrophobicContact CE1-CG2 3.72Å; F1062-I1113 HydrophobicContact CZ-CB 4.39Å; F1062-I1113 HydrophobicContact CZ-CG2 4.15Å; S1109-I1113 WeakPolarHBondContact O-CD1 3.05Å; S1109-I1113 VanDerWaalsContact O-CG1 3.26Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.46Å; S1109-I1113 PolarHBondContact O-N 3.3Å; V1110-I1113 PolarHBondContact O-N 2.99Å; I1113-E1115 PolarHBondContact O-N 3.25Å; I1113-K1116 PolarHBondContact O-N 3Å; I1113-K1116 VanDerWaalsContact O-N 3.16Å; I1113-T1117 PolarHBondContact O-N 3.11Å; I1113-T1117 PolarHBondContact O-OG1 2.93Å
1114F69.1Low57.7Low0 Ų065 Ų650%034%0.337CS..Hα-helixtrans-57.7-46.9178.9-178.2-92.4000112.6A1063 I1066 C1067 M1083 V1087 V1110 W1111 K1116 T1117 L1118A1063-F1114 HydrophobicContact CB-CD2 3.99Å; I1066-F1114 HydrophobicContact CB-CE2 4.02Å; I1066-F1114 HydrophobicContact CG2-CD2 4.27Å; I1066-F1114 HydrophobicContact CG2-CE2 3.55Å; I1066-F1114 HydrophobicContact CG2-CZ 4.26Å; C1067-F1114 VanDerWaalsContact SG-CE2 3.57Å; M1083-F1114 HydrophobicContact CE-CE1 4.31Å; M1083-F1114 HydrophobicContact CG-CE1 3.62Å; M1083-F1114 HydrophobicContact CG-CZ 3.9Å; M1083-F1114 HydrophobicContact SD-CE1 3.7Å; M1083-F1114 HydrophobicContact SD-CZ 3.99Å; V1087-F1114 HydrophobicContact CG1-CB 4.29Å; V1087-F1114 HydrophobicContact CG1-CG 4.48Å; V1087-F1114 HydrophobicContact CG2-CB 4.36Å; V1087-F1114 HydrophobicContact CG2-CD1 3.83Å; V1087-F1114 HydrophobicContact CG2-CD2 3.72Å; V1087-F1114 HydrophobicContact CG2-CE1 4.01Å; V1087-F1114 HydrophobicContact CG2-CE2 3.9Å; V1087-F1114 HydrophobicContact CG2-CG 3.68Å; V1087-F1114 HydrophobicContact CG2-CZ 4.04Å; V1110-F1114 PolarHBondContact O-N 3.14Å; W1111-F1114 HydrophobicContact CE3-CD1 4.25Å; W1111-F1114 HydrophobicContact CH2-CD1 4.29Å; W1111-F1114 HydrophobicContact CH2-CE1 4.47Å; W1111-F1114 AromaticContact CZ3-CD1 3.78Å; W1111-F1114 HydrophobicContact CZ3-CD1 3.78Å; W1111-F1114 HydrophobicContact CZ3-CE1 4.17Å; W1111-F1114 PolarHBondContact O-N 3Å; F1114-K1116 VanDerWaalsContact C-N 3.29Å; F1114-K1116 PolarHBondContact O-N 2.92Å; F1114-T1117 PolarHBondContact O-N 3.3Å; F1114-L1118 HydrophobicContact CE1-CD2 4.21Å; F1114-L1118 HydrophobicContact CZ-CD1 4.37Å; F1114-L1118 WeakPolarHBondContact O-CB 3.31Å; F1114-L1118 PolarHBondContact O-N 3.27Å
1115E64Low57.5Low92 Ų9260.5 Ų60.543%0.4330%0.304SS..Hα-helixtrans-61.7-34.8177.5-81.2-178.4156.200112.9W1111 H1112 I1113 P1119W1111-E1115 HydrophobicContact CD2-CG 4.42Å; W1111-E1115 VanDerWaalsContact CE2-OE1 3.32Å; W1111-E1115 HydrophobicContact CZ2-CG 4.01Å; W1111-E1115 PolarHBondContact NE1-OE1 3.06Å; W1111-E1115 PolarHBondContact NE1-OE2 2.94Å; W1111-E1115 PolarHBondContact O-N 3.3Å; H1112-E1115 PolarHBondContact O-N 3.07Å; I1113-E1115 PolarHBondContact O-N 3.25Å; E1115-P1119 WeakPolarHBondContact O-CD 3.22Å
1116K54.8Low56.9Low125 Ų12559 Ų5954%0.54330%0.296SS..Hα-helixtrans-78.9-35.3178.7-70.5-67.8-177.7-174.70112.7H1112 I1113 F1114H1112-K1116 WeakPolarHBondContact O-CB 3.41Å; H1112-K1116 VanDerWaalsContact O-CG 3.27Å; H1112-K1116 WeakPolarHBondContact O-CG 3.37Å; H1112-K1116 PolarHBondContact O-N 3.16Å; I1113-K1116 PolarHBondContact O-N 3Å; I1113-K1116 VanDerWaalsContact O-N 3.16Å; F1114-K1116 VanDerWaalsContact C-N 3.29Å; F1114-K1116 PolarHBondContact O-N 2.92Å
1117T55Low55.3Low31 Ų3158.5 Ų58.519%0.1929%0.291CS..Hα-helixtrans-79.8-28.3178-34.10000111.9A1063 I1113 F1114 W1120 L1121A1063-T1117 HydrophobicContact CB-CG2 4.19Å; I1113-T1117 PolarHBondContact O-N 3.11Å; I1113-T1117 PolarHBondContact O-OG1 2.93Å; F1114-T1117 PolarHBondContact O-N 3.3Å; T1117-W1120 CarbonylContact O-C 3.6Å; T1117-W1120 WeakPolarHBondContact O-CA 3.5Å; T1117-W1120 WeakPolarHBondContact O-CB 2.99Å; T1117-W1120 PolarHBondContact O-N 3.17Å; T1117-L1121 HydrophobicContact CG2-CD1 3.42Å; T1117-L1121 VanDerWaalsContact CG2-CD1 3.42Å; T1117-L1121 HydrophobicContact CG2-CG 3.84Å; T1117-L1121 PolarHBondContact O-N 3.07Å
1118L60Low53.6Low41 Ų4163.7 Ų63.722%0.21531%0.311CS..Hα-helixtrans-54-47-177.5176.568.4000113.3C1067 M1083 F1114 W1120 L1121 T1122C1067-L1118 VanDerWaalsContact SG-CD1 3.51Å; M1083-L1118 HydrophobicContact CE-CD2 3.95Å; M1083-L1118 HydrophobicContact SD-CD2 4.12Å; F1114-L1118 HydrophobicContact CE1-CD2 4.21Å; F1114-L1118 HydrophobicContact CZ-CD1 4.37Å; F1114-L1118 WeakPolarHBondContact O-CB 3.31Å; F1114-L1118 PolarHBondContact O-N 3.27Å; L1118-W1120 VanDerWaalsContact C-N 3.32Å; L1118-W1120 PolarHBondContact O-N 2.91Å; L1118-L1121 PolarHBondContact O-N 3.15Å; L1118-T1122 VanDerWaalsContact O-CB 3.27Å; L1118-T1122 WeakPolarHBondContact O-CB 3.26Å; L1118-T1122 PolarHBondContact O-N 3.23Å; L1118-T1122 PolarHBondContact O-OG1 2.87Å
1119P50.6Low52Low70 Ų7060.5 Ų60.546%0.45529%0.293SS..Hα-helixtrans-58.5-42.8173.4-24.432.5000112.6E1115 L1123E1115-P1119 WeakPolarHBondContact O-CD 3.22Å; P1119-L1123 VanDerWaalsContact O-CB 3.29Å; P1119-L1123 WeakPolarHBondContact O-CB 3.45Å; P1119-L1123 WeakPolarHBondContact O-CD1 3.43Å; P1119-L1123 PolarHBondContact O-N 3.36Å
1120W42.7Very low50.8Low169 Ų16963.6 Ų63.664%0.6430%0.299SS*.Hα-helixtrans-71.1-28.4-178.6-77.6102.6000114.5T1117 L1118 L1123 F1124T1117-W1120 CarbonylContact O-C 3.6Å; T1117-W1120 WeakPolarHBondContact O-CA 3.5Å; T1117-W1120 WeakPolarHBondContact O-CB 2.99Å; T1117-W1120 PolarHBondContact O-N 3.17Å; L1118-W1120 VanDerWaalsContact C-N 3.32Å; L1118-W1120 PolarHBondContact O-N 2.91Å; W1120-L1123 HydrophobicContact CE3-CG 4.14Å; W1120-L1123 WeakPolarHBondContact O-CB 3.31Å; W1120-F1124 PolarHBondContact O-N 3.08Å
1121L50.1Low49.1Very low8 Ų872 Ų724%0.04234%0.335CS..Hα-helixtrans-88-32174.1-70.8158.2000112A1063 E1064 C1067 T1117 L1118 L1123 F1124 Y1125A1063-L1121 HydrophobicContact CB-CD1 4.1Å; E1064-L1121 VanDerWaalsContact CA-CD1 3.5Å; E1064-L1121 HydrophobicContact CB-CD1 4.22Å; E1064-L1121 HydrophobicContact CB-CD2 3.99Å; E1064-L1121 HydrophobicContact CG-CD1 3.78Å; E1064-L1121 HydrophobicContact CG-CD2 3.41Å; E1064-L1121 VanDerWaalsContact CG-CD2 3.41Å; E1064-L1121 HydrophobicContact CG-CG 4.12Å; C1067-L1121 HydrophobicContact CB-CB 4.2Å; C1067-L1121 HydrophobicContact CB-CD1 4.05Å; T1117-L1121 HydrophobicContact CG2-CD1 3.42Å; T1117-L1121 VanDerWaalsContact CG2-CD1 3.42Å; T1117-L1121 HydrophobicContact CG2-CG 3.84Å; T1117-L1121 PolarHBondContact O-N 3.07Å; L1118-L1121 PolarHBondContact O-N 3.15Å; L1121-L1123 VanDerWaalsContact C-N 3.31Å; L1121-F1124 PolarHBondContact O-N 3.16Å; L1121-F1124 VanDerWaalsContact O-N 3.13Å; L1121-Y1125 HydrophobicContact CB-CD2 4.1Å; L1121-Y1125 HydrophobicContact CB-CE2 4.09Å; L1121-Y1125 HydrophobicContact CD2-CD2 4.27Å; L1121-Y1125 HydrophobicContact CD2-CE2 3.55Å; L1121-Y1125 HydrophobicContact CG-CE2 4.38Å; L1121-Y1125 VanDerWaalsContact O-CD2 3.25Å; L1121-Y1125 WeakPolarHBondContact O-CD2 3.02Å; L1121-Y1125 PolarHBondContact O-N 3.37Å
1122T47.2Very low46.8Very low48 Ų4874.4 Ų74.429%0.29435%0.352SS..Hα-helixtrans-57.1-51.9166.5-52.30000108.3M1071 L1118 F1124 Y1125 T1126M1071-T1122 HydrophobicContact CE-CG2 4.46Å; L1118-T1122 VanDerWaalsContact O-CB 3.27Å; L1118-T1122 WeakPolarHBondContact O-CB 3.26Å; L1118-T1122 PolarHBondContact O-N 3.23Å; L1118-T1122 PolarHBondContact O-OG1 2.87Å; T1122-F1124 VanDerWaalsContact C-N 3.33Å; T1122-F1124 PolarHBondContact O-N 2.73Å; T1122-Y1125 PolarHBondContact O-N 3.37Å; T1122-T1126 WeakPolarHBondContact O-CB 3.42Å; T1122-T1126 PolarHBondContact O-N 3.39Å; T1122-T1126 PolarHBondContact O-OG1 3.37Å
1123L39.5Very low45.1Very low45 Ų4572.2 Ų72.224%0.23635%0.349CS..Hα-helixtrans-35-55.5163.8-117.169.3000113.9R930 P1119 W1120 L1121R930-L1123 VanDerWaalsContact CD-CD2 3.43Å; R930-L1123 VanDerWaalsContact CZ-CG 3.46Å; R930-L1123 VanDerWaalsContact NH1-CG 3.28Å; R930-L1123 VanDerWaalsContact NH2-CD2 3.3Å; P1119-L1123 VanDerWaalsContact O-CB 3.29Å; P1119-L1123 WeakPolarHBondContact O-CB 3.45Å; P1119-L1123 WeakPolarHBondContact O-CD1 3.43Å; P1119-L1123 PolarHBondContact O-N 3.36Å; W1120-L1123 HydrophobicContact CE3-CG 4.14Å; W1120-L1123 WeakPolarHBondContact O-CB 3.31Å; L1121-L1123 VanDerWaalsContact C-N 3.31Å
1124F39.7Very low43.5Very low142 Ų14277.4 Ų77.462%0.62337%0.366SS*.Hα-helixtrans-81.9-36.2-168.5-160.2-91000113.2W1120 L1121 T1122 P1127W1120-F1124 PolarHBondContact O-N 3.08Å; L1121-F1124 PolarHBondContact O-N 3.16Å; L1121-F1124 VanDerWaalsContact O-N 3.13Å; T1122-F1124 VanDerWaalsContact C-N 3.33Å; T1122-F1124 PolarHBondContact O-N 2.73Å; F1124-P1127 VanDerWaalsContact O-CD 3.28Å; F1124-P1127 WeakPolarHBondContact O-CD 3.12Å
1125Y44.5Very low41.5Very low9 Ų982.8 Ų82.84%0.03540%0.401CS..Hα-helixtrans-96.1-10.4-178-60.4-57.1000114.5Y1068 L1121 T1122 P1127 Y1128 I1129Y1068-Y1125 AromaticContact CD2-CD1 3.91Å; Y1068-Y1125 HydrophobicContact CD2-CD1 3.91Å; Y1068-Y1125 HydrophobicContact CD2-CD2 4.13Å; Y1068-Y1125 AromaticContact CD2-CE1 3.58Å; Y1068-Y1125 HydrophobicContact CD2-CE1 3.58Å; Y1068-Y1125 AromaticContact CD2-CE2 3.76Å; Y1068-Y1125 HydrophobicContact CD2-CE2 3.76Å; Y1068-Y1125 HydrophobicContact CD2-CG 4.19Å; Y1068-Y1125 AromaticContact CD2-CZ 3.49Å; Y1068-Y1125 VanDerWaalsContact CD2-CZ 3.49Å; Y1068-Y1125 AromaticContact CE2-CD1 3.51Å; Y1068-Y1125 HydrophobicContact CE2-CD1 3.51Å; Y1068-Y1125 AromaticContact CE2-CE1 3.35Å; Y1068-Y1125 HydrophobicContact CE2-CE1 3.35Å; Y1068-Y1125 HydrophobicContact CE2-CE2 4.35Å; Y1068-Y1125 HydrophobicContact CE2-CG 4.12Å; Y1068-Y1125 AromaticContact CE2-CZ 3.81Å; L1121-Y1125 HydrophobicContact CB-CD2 4.1Å; L1121-Y1125 HydrophobicContact CB-CE2 4.09Å; L1121-Y1125 HydrophobicContact CD2-CD2 4.27Å; L1121-Y1125 HydrophobicContact CD2-CE2 3.55Å; L1121-Y1125 HydrophobicContact CG-CE2 4.38Å; L1121-Y1125 VanDerWaalsContact O-CD2 3.25Å; L1121-Y1125 WeakPolarHBondContact O-CD2 3.02Å; L1121-Y1125 PolarHBondContact O-N 3.37Å; T1122-Y1125 PolarHBondContact O-N 3.37Å; Y1125-P1127 VanDerWaalsContact C-N 3.27Å; Y1125-Y1128 WeakPolarHBondContact O-CA 3.32Å; Y1125-Y1128 WeakPolarHBondContact O-CB 3.36Å; Y1125-Y1128 PolarHBondContact O-N 2.92Å; Y1125-I1129 PolarHBondContact O-N 3.21Å
1126T38.6Very low39.7Very low13 Ų1383.7 Ų83.78%0.0841%0.413CS..Hα-helixtrans-55.2-35.3174.8-53.50000113.7T1122 Y1128 I1129 F1130T1122-T1126 WeakPolarHBondContact O-CB 3.42Å; T1122-T1126 PolarHBondContact O-N 3.39Å; T1122-T1126 PolarHBondContact O-OG1 3.37Å; T1126-Y1128 VanDerWaalsContact C-N 3.29Å; T1126-Y1128 PolarHBondContact O-N 2.98Å; T1126-I1129 PolarHBondContact O-N 3.25Å; T1126-F1130 HydrophobicContact CG2-CD2 3.82Å; T1126-F1130 HydrophobicContact CG2-CE2 3.78Å; T1126-F1130 PolarHBondContact O-N 3.03Å
1127P34.1Very low38.2Very low41 Ų4182 Ų8227%0.26642%0.415SS..Hα-helixtrans-56.2-39.2169.8-21.930.9000113.9S931 F1124 Y1125 K1131S931-P1127 VanDerWaalsContact CB-CB 3.43Å; F1124-P1127 VanDerWaalsContact O-CD 3.28Å; F1124-P1127 WeakPolarHBondContact O-CD 3.12Å; Y1125-P1127 VanDerWaalsContact C-N 3.27Å; P1127-K1131 PolarHBondContact O-N 2.83Å
1128Y36.9Very low36.8Very low138 Ų13890 Ų9054%0.54145%0.448SS..Hα-helixtrans-76.1-34.1-180-77.7-83.5000112.4Y1125 T1126 F1130 K1131 V1132Y1125-Y1128 WeakPolarHBondContact O-CA 3.32Å; Y1125-Y1128 WeakPolarHBondContact O-CB 3.36Å; Y1125-Y1128 PolarHBondContact O-N 2.92Å; T1126-Y1128 VanDerWaalsContact C-N 3.29Å; T1126-Y1128 PolarHBondContact O-N 2.98Å; Y1128-F1130 VanDerWaalsContact C-N 3.31Å; Y1128-F1130 PolarHBondContact O-N 3.22Å; Y1128-K1131 PolarHBondContact O-N 3.19Å; Y1128-V1132 WeakPolarHBondContact O-CG2 3.16Å; Y1128-V1132 PolarHBondContact O-N 3.11Å
1129I38Very low35.3Very low42 Ų4295.8 Ų95.822%0.21548%0.479CS..Hα-helixtrans-56.6-46.5174.4-65.5167000110.7M1071 F1072 Y1125 T1126 S1133M1071-I1129 HydrophobicContact CE-CD1 3.25Å; M1071-I1129 HydrophobicContact CE-CG1 4.25Å; F1072-I1129 HydrophobicContact CD1-CG1 4.35Å; F1072-I1129 HydrophobicContact CE1-CB 4.25Å; F1072-I1129 HydrophobicContact CE1-CG1 3.46Å; F1072-I1129 VanDerWaalsContact CE1-CG1 3.46Å; F1072-I1129 HydrophobicContact CE2-CG1 4.4Å; F1072-I1129 HydrophobicContact CZ-CD1 4.46Å; F1072-I1129 HydrophobicContact CZ-CG1 3.49Å; F1072-I1129 VanDerWaalsContact CZ-CG1 3.49Å; Y1125-I1129 PolarHBondContact O-N 3.21Å; T1126-I1129 PolarHBondContact O-N 3.25Å; I1129-S1133 WeakPolarHBondContact O-CB 3.41Å; I1129-S1133 PolarHBondContact O-N 3.3Å; I1129-S1133 PolarHBondContact O-OG 2.9Å
1130F33.1Very low34.2Very low126 Ų126101.4 Ų101.455%0.55350%0.499SS*.Hα-helixtrans-81.4-21.1-175.3-79-72.4000114.5T1126 Y1128T1126-F1130 HydrophobicContact CG2-CD2 3.82Å; T1126-F1130 HydrophobicContact CG2-CE2 3.78Å; T1126-F1130 PolarHBondContact O-N 3.03Å; Y1128-F1130 VanDerWaalsContact C-N 3.31Å; Y1128-F1130 PolarHBondContact O-N 3.22Å
1131K30.7Very low33.4Very low184 Ų18498.9 Ų98.980%0.850%0.504SS*.Hα-helixtrans-76.6-26.9172.4-125.6-176.7-179.9-171.90112.9P1127 Y1128P1127-K1131 PolarHBondContact O-N 2.83Å; Y1128-K1131 PolarHBondContact O-N 3.19Å
1132V30.8Very low32.3Very low76 Ų76105.2 Ų105.246%0.46154%0.544SS..Hα-helixtrans-104.4-24.5-174.6-171.60000112.8Y1128 M1158Y1128-V1132 WeakPolarHBondContact O-CG2 3.16Å; Y1128-V1132 PolarHBondContact O-N 3.11Å; V1132-M1158 HydrophobicContact CG1-CE 4.35Å
1133S28Very low31.1Very low59 Ų59107.4 Ų107.441%0.41357%0.566SS.*SBendtrans-120.156.9-167.8-43.10000113.7I1129I1129-S1133 WeakPolarHBondContact O-CB 3.41Å; I1129-S1133 PolarHBondContact O-N 3.3Å; I1129-S1133 PolarHBondContact O-OG 2.9Å
1134Y25.6Very low30.3Very low166 Ų166114.1 Ų114.165%0.65160%0.596SS**  trans-176.586.3145.7-124.6-104.6000111.9V1136 C1137Y1134-V1136 WeakPolarHBondContact CE1-O 3.47Å; Y1134-C1137 HydrophobicContact CE1-CB 3.81Å; Y1134-C1137 VanDerWaalsContact OH-CB 3.31Å; Y1134-C1137 WeakPolarHBondContact OH-CB 3.5Å
1135P28.1Very low29.7Very low114 Ų114112.1 Ų112.174%0.7460%0.6SS**SBend-122.465.312434-28.7000109.4
1136V26.6Very low28.9Very low111 Ų111117.9 Ų117.967%0.67364%0.637SS**  trans-141.492.7168.5-174.80000107.1Y1134Y1134-V1136 WeakPolarHBondContact CE1-O 3.47Å
1137C23.2Very low28.3Very low89 Ų89123.7 Ų123.760%0.60167%0.671SS**  trans145.488.6156.6-77.10000109.1Y1134Y1134-C1137 HydrophobicContact CE1-CB 3.81Å; Y1134-C1137 VanDerWaalsContact OH-CB 3.31Å; Y1134-C1137 WeakPolarHBondContact OH-CB 3.5Å
1138K25.5Very low27.9Very low200 Ų200127.2 Ų127.287%0.8769%0.692SS**  trans-164.177.1148.3-107.8171.6-172.6-172.80109.3
1139N28.7Very low27.3Very low161 Ų161125 Ų12586%0.86170%0.697SS**  trans-79114.1156.7-73.3-14.2000107.5
1140E26Very low26.9Very low188 Ų188130.4 Ų130.488%0.87973%0.726SS**  157.1145.8118.7-86.2-171170.300112.4
1141P26.6Very low26.6Very low116 Ų116132.3 Ų132.375%0.75374%0.741SS**  trans-114.9145.5-152.132.7-15.6000113.7
1142T26.8Very low26.3Very low142 Ų142127.8 Ų127.887%0.87174%0.738SS**  trans-140.7131.4159.950.10000111.7
1143A23Very low26.1Very low93 Ų93133.2 Ų133.277%0.76976%0.758SS**  trans-55.6141.7-175.100000116
1144E22.8Very low26.2Very low186 Ų186138.7 Ų138.787%0.86978%0.778SS**  158.7137117.9-85.1-179.4173.300112.1
1145S25.7Very low26.4Very low101 Ų101139.5 Ų139.571%0.70679%0.787SS**  trans101.158.8168.580.70000120.1V1147S1145-V1147 VanDerWaalsContact C-N 3.28Å; S1145-V1147 PolarHBondContact O-N 3.28Å
1146T27.2Very low26.7Very low130 Ų130141.1 Ų141.180%0.79879%0.79SS**  31.213.6120-12.60000124.4
1147V27Very low26.9Very low134 Ų134139.7 Ų139.781%0.81278%0.783SS**SBendtrans-123.1-1.6175.3-173.70000113.9S1145S1145-V1147 VanDerWaalsContact C-N 3.28Å; S1145-V1147 PolarHBondContact O-N 3.28Å
1148V24.9Very low27.3Very low115 Ų115141 Ų14170%0.69778%0.782SS**SBendtrans-112.918.2176.8-168.30000112.2N1150V1148-N1150 VanDerWaalsContact C-N 3.26Å; V1148-N1150 PolarHBondContact O-N 3.08Å; V1148-N1150 VanDerWaalsContact O-N 3.09Å
1149S25.4Very low28Very low93 Ų93136.5 Ų136.565%0.6577%0.77SS**THydrogen-bonded Turntrans-79.618.2-172.162.20000116.3
1150N28.1Very low28.3Very low154 Ų154136.9 Ų136.982%0.82477%0.765SS**THydrogen-bonded Turntrans-119.82.4174-79.31.1000114.6V1148V1148-N1150 VanDerWaalsContact C-N 3.26Å; V1148-N1150 PolarHBondContact O-N 3.08Å; V1148-N1150 VanDerWaalsContact O-N 3.09Å
1151L26.7Very low29.3Very low167 Ų167134.2 Ų134.287%0.87476%0.755SS**SBendtrans-133.315.5-176.4-72.6171.5000114.5
1152A25.7Very low30.2Very low88 Ų88133.7 Ų133.773%0.72776%0.76SS**SBendtrans-122.212.1178.200000114.4
1153E25.8Very low32.1Very low190 Ų190133.1 Ų133.189%0.88875%0.749SS**  trans-104.973.2163.8-76.8-172.9177.400108.9
1154E31.6Very low34.1Very low175 Ų175136 Ų13682%0.81875%0.747SS**  trans-165.292.9146.6-107.6166-152.700105N1156E1154-N1156 VanDerWaalsContact C-N 3.32Å; E1154-N1156 PolarHBondContact O-N 2.94Å
1155E29.3Very low36.4Very low182 Ų182130.7 Ų130.785%0.8572%0.724SS**  trans-41.2111.9145.3-67179.5156.200105.2P1157E1155-P1157 VanDerWaalsContact C-N 3.31Å; E1155-P1157 WeakPolarHBondContact O-CD 3.11Å
1156N34.6Very low38.8Very low149 Ų149127.6 Ų127.680%0.79770%0.699SS**  trans-90.483165.2-149.2-13.4000103.4E1154 M1158E1154-N1156 VanDerWaalsContact C-N 3.32Å; E1154-N1156 PolarHBondContact O-N 2.94Å; N1156-M1158 PolarHBondContact O-N 3.1Å
1157P30.4Very low40.9Very low80 Ų80125.2 Ų125.252%0.51969%0.688SS.*  trans-51.4139.7176.624.4-34.2000106.5E1155 V1159E1155-P1157 VanDerWaalsContact C-N 3.31Å; E1155-P1157 WeakPolarHBondContact O-CD 3.11Å; P1157-V1159 HydrophobicContact CG-CG2 4.01Å; P1157-V1159 VanDerWaalsContact O-CG2 3.31Å; P1157-V1159 WeakPolarHBondContact O-CG2 3.25Å; P1157-V1159 PolarHBondContact O-N 2.86Å
1158M32.2Very low43.2Very low118 Ų118122.9 Ų122.958%0.58168%0.676SS**  trans-55.995.9162.1-85.8-85.6-90.100106.5V1132 N1156 F1160V1132-M1158 HydrophobicContact CG1-CE 4.35Å; N1156-M1158 PolarHBondContact O-N 3.1Å; M1158-F1160 VanDerWaalsContact C-N 3.32Å; M1158-F1160 HydrophobicContact CB-CD2 4.34Å; M1158-F1160 HydrophobicContact CB-CE2 3.99Å; M1158-F1160 HydrophobicContact CE-CZ 4.39Å; M1158-F1160 WeakPolarHBondContact O-CD2 3.28Å; M1158-F1160 PolarHBondContact O-N 3.08Å
1159V38.5Very low45.7Very low104 Ų104123.9 Ų123.963%0.6367%0.672SS**  trans-75.793.3-179.8-178.50000105.6P1157 I1161P1157-V1159 HydrophobicContact CG-CG2 4.01Å; P1157-V1159 VanDerWaalsContact O-CG2 3.31Å; P1157-V1159 WeakPolarHBondContact O-CG2 3.25Å; P1157-V1159 PolarHBondContact O-N 2.86Å; V1159-I1161 HydrophobicContact CG1-CG1 4.07Å; V1159-I1161 PolarHBondContact O-N 3.36Å
1160F36.1Very low48.6Very low170 Ų170119.7 Ų119.775%0.74664%0.643SS**  trans-70.3111.7165.4-74.4-88.5000107.8M1158 A1162M1158-F1160 VanDerWaalsContact C-N 3.32Å; M1158-F1160 HydrophobicContact CB-CD2 4.34Å; M1158-F1160 HydrophobicContact CB-CE2 3.99Å; M1158-F1160 HydrophobicContact CE-CZ 4.39Å; M1158-F1160 WeakPolarHBondContact O-CD2 3.28Å; M1158-F1160 PolarHBondContact O-N 3.08Å; F1160-A1162 PolarHBondContact O-N 2.86Å
1161I47.4Very low51.2Low131 Ų131117.2 Ų117.267%0.67263%0.627SS**  trans-88.3101.8169.5-54177.5000106.6V1159 M1163V1159-I1161 HydrophobicContact CG1-CG1 4.07Å; V1159-I1161 PolarHBondContact O-N 3.36Å; I1161-M1163 HydrophobicContact CG2-CG 3.66Å; I1161-M1163 HydrophobicContact CG2-SD 4.24Å; I1161-M1163 PolarHBondContact O-N 3.26Å
1162A45.5Very low53.8Low105 Ų105111.6 Ų111.687%0.86860%0.6SS**  trans-77.9115.4168.100000108.3F1160F1160-A1162 PolarHBondContact O-N 2.86Å
1163M65.1Low56Low130 Ų130107.8 Ų107.864%0.6457%0.567SS**  trans-107.5152.8178.9-59.4-17869.300109.8I1161 I1303I1161-M1163 HydrophobicContact CG2-CG 3.66Å; I1161-M1163 HydrophobicContact CG2-SD 4.24Å; I1161-M1163 PolarHBondContact O-N 3.26Å; M1163-I1303 HydrophobicContact CE-CG2 3.94Å
1164E65.9Low58.2Low153 Ų153102.7 Ų102.772%0.71555%0.546SS*.  trans-63140.6169.664.7-175.416900110.5M1166E1164-M1166 HydrophobicContact CG-CG 4Å; E1164-M1166 HydrophobicContact CG-SD 3.8Å; E1164-M1166 PolarHBondContact O-N 2.8Å; E1164-M1166 VanDerWaalsContact O-N 3.12Å; E1164-M1166 VanDerWaalsContact OE1-SD 3.39Å
1165D70.9Confident60Low75 Ų7597.4 Ų97.440%0.40152%0.523SS..  trans-75.2102.5173.3179.912.2000109.3S1167 P1168D1165-S1167 VanDerWaalsContact C-N 3.33Å; D1165-S1167 VanDerWaalsContact CG-OG 3.28Å; D1165-S1167 WeakPolarHBondContact OD1-CB 3.41Å; D1165-S1167 PolarHBondContact OD1-N 3.3Å; D1165-S1167 PolarHBondContact OD1-OG 2.88Å; D1165-S1167 PolarHBondContact OD2-OG 3.27Å; D1165-P1168 WeakPolarHBondContact O-CD 3.32Å
1166M75.2Confident61.8Low36 Ų3693.6 Ų93.618%0.17751%0.513CS..  trans-81.8-12.2178.4-68.3-67.3-71.700112.8E1164 P1168 H1169 A1170 L1285 A1300 A1301E1164-M1166 HydrophobicContact CG-CG 4Å; E1164-M1166 HydrophobicContact CG-SD 3.8Å; E1164-M1166 PolarHBondContact O-N 2.8Å; E1164-M1166 VanDerWaalsContact O-N 3.12Å; E1164-M1166 VanDerWaalsContact OE1-SD 3.39Å; M1166-P1168 VanDerWaalsContact C-N 3.31Å; M1166-P1168 VanDerWaalsContact O-N 3.16Å; M1166-H1169 CarbonylContact O-C 3.5Å; M1166-H1169 PolarHBondContact O-N 3.09Å; M1166-A1170 HydrophobicContact CB-CB 4.27Å; M1166-A1170 HydrophobicContact CE-CB 4.14Å; M1166-A1170 PolarHBondContact O-N 2.82Å; M1166-L1285 HydrophobicContact CB-CD1 3.93Å; M1166-L1285 HydrophobicContact CG-CD1 4.37Å; M1166-A1300 HydrophobicContact CE-CB 3.35Å; M1166-A1301 HydrophobicContact CE-CB 4.26Å
1167S71.6Confident63.7Low80 Ų8090.4 Ų90.456%0.55950%0.502SS*.THydrogen-bonded Turntrans-57.5-28.3-173.770.40000115.9D1165 H1169D1165-S1167 VanDerWaalsContact C-N 3.33Å; D1165-S1167 VanDerWaalsContact CG-OG 3.28Å; D1165-S1167 WeakPolarHBondContact OD1-CB 3.41Å; D1165-S1167 PolarHBondContact OD1-N 3.3Å; D1165-S1167 PolarHBondContact OD1-OG 2.88Å; D1165-S1167 PolarHBondContact OD2-OG 3.27Å; S1167-H1169 PolarHBondContact O-N 3.07Å
1168P75.2Confident66.1Low85 Ų8587.1 Ų87.155%0.55248%0.483SS*.THydrogen-bonded Turntrans-70.9-18.4175.9-18.432.6000113.9D1165 M1166D1165-P1168 WeakPolarHBondContact O-CD 3.32Å; M1166-P1168 VanDerWaalsContact C-N 3.31Å; M1166-P1168 VanDerWaalsContact O-N 3.16Å
1169H79.2Confident68.8Low136 Ų13681.7 Ų81.763%0.6346%0.456SS*.THydrogen-bonded Turntrans-131.9-6.2-172.1-49.6103.2000114M1166 S1167 E1287 V1288M1166-H1169 CarbonylContact O-C 3.5Å; M1166-H1169 PolarHBondContact O-N 3.09Å; S1167-H1169 PolarHBondContact O-N 3.07Å; H1169-E1287 CarbonylContact O-C 3.57Å; H1169-E1287 WeakPolarHBondContact O-CA 3.46Å; H1169-V1288 PolarHBondContact O-N 3.32Å
1170A85.8Confident71.2Confident5 Ų579.8 Ų79.84%0.04144%0.444CS..EExtended strand (participates in β ladder)trans-146.9147.5-178.400000113.1M1166 L1285 F1286 A1300M1166-A1170 HydrophobicContact CB-CB 4.27Å; M1166-A1170 HydrophobicContact CE-CB 4.14Å; M1166-A1170 PolarHBondContact O-N 2.82Å; A1170-L1285 HydrophobicContact CB-CB 4.04Å; A1170-F1286 CarbonylContact C-O 3.47Å; A1170-F1286 WeakPolarHBondContact CA-O 3.48Å; A1170-F1286 WeakPolarHBondContact CB-O 3.46Å; A1170-A1300 HydrophobicContact CB-CB 3.43Å; A1170-A1300 VanDerWaalsContact CB-CB 3.43Å
1171E81.8Confident73.7Confident103 Ų10376.4 Ų76.448%0.48143%0.43SS..EExtended strand (participates in β ladder)trans-140.9152.2-178.2-165.5177.3179.500110.3F1286 V1288 V1295E1171-F1286 PolarHBondContact N-O 3Å; E1171-F1286 PolarHBondContact O-N 3.2Å; E1171-V1288 HydrophobicContact CB-CG2 3.62Å; E1171-V1295 HydrophobicContact CB-CG2 4.32Å
1172T81.2Confident75.7Confident49 Ų4971 Ų7130%0.30141%0.407SS..PPolyproline II helixtrans-76.9142.4169.552.80000109.8N1282 L1285T1172-N1282 WeakPolarHBondContact CG2-O 3.47Å; T1172-L1285 HydrophobicContact CG2-CD2 3.67Å; T1172-L1285 HydrophobicContact CG2-CG 4.48Å
1173P72.6Confident77.9Confident7 Ų766.4 Ų66.45%0.04537%0.367CS..PPolyproline II helixtrans-75.3149.817928.7-23.7000110.4L1175 L1179 A1281 F1286P1173-L1175 PolarHBondContact O-N 2.84Å; P1173-L1179 HydrophobicContact CB-CD2 4.09Å; P1173-L1179 HydrophobicContact CG-CD2 3.37Å; P1173-A1281 WeakPolarHBondContact CD-O 3.21Å; P1173-A1281 HydrophobicContact CG-CB 4.06Å; P1173-F1286 HydrophobicContact CG-CD2 3.75Å; P1173-F1286 HydrophobicContact CG-CE2 3.56Å
1174D72.8Confident79.3Confident83 Ų8360.2 Ų60.244%0.44434%0.336SS..PPolyproline II helixtrans-63117.7176166.427.6000111.3T1176 S1177 G1178D1174-T1176 VanDerWaalsContact CG-OG1 3.22Å; D1174-T1176 PolarHBondContact O-N 2.93Å; D1174-T1176 PolarHBondContact OD1-N 3.33Å; D1174-T1176 PolarHBondContact OD1-OG1 3.36Å; D1174-T1176 PolarHBondContact OD2-OG1 3.03Å; D1174-S1177 PolarHBondContact O-N 3.49Å; D1174-S1177 WeakPolarHBondContact OD2-CB 3.4Å; D1174-S1177 PolarHBondContact OD2-N 3.17Å; D1174-S1177 PolarHBondContact OD2-OG 3Å; D1174-G1178 PolarHBondContact O-N 3.05Å
1175L68Low80.7Confident65 Ų6555.3 Ų55.334%0.3432%0.315SS..THydrogen-bonded Turntrans-58.9-30.5-177.9-13797.4000113.1P1173 G1178 W1280 A1281 N1282P1173-L1175 PolarHBondContact O-N 2.84Å; L1175-G1178 PolarHBondContact O-N 3.39Å; L1175-W1280 HydrophobicContact CD1-CE3 3.62Å; L1175-W1280 HydrophobicContact CD1-CZ3 3.51Å; L1175-W1280 HydrophobicContact CD2-CE3 4.43Å; L1175-W1280 HydrophobicContact CD2-CZ3 4.02Å; L1175-W1280 HydrophobicContact CG-CZ3 4.44Å; L1175-A1281 HydrophobicContact CD1-CB 3.8Å; L1175-N1282 WeakPolarHBondContact CD1-OD1 3.24Å
1176T66.6Low81.8Confident102 Ų10254.2 Ų54.263%0.62631%0.309SS*.THydrogen-bonded Turntrans-76.6-35.6-177.667.10000112.3D1174 G1178 N1326D1174-T1176 VanDerWaalsContact CG-OG1 3.22Å; D1174-T1176 PolarHBondContact O-N 2.93Å; D1174-T1176 PolarHBondContact OD1-N 3.33Å; D1174-T1176 PolarHBondContact OD1-OG1 3.36Å; D1174-T1176 PolarHBondContact OD2-OG1 3.03Å; T1176-G1178 PolarHBondContact O-N 3.21Å; T1176-N1326 PolarHBondContact O-ND2 2.81Å
1177S75.8Confident82.8Confident82 Ų8252.5 Ų52.557%0.57330%0.3SS*.THydrogen-bonded Turntrans-67-29.6170.9-64.40000111.7D1174 N1326D1174-S1177 PolarHBondContact O-N 3.49Å; D1174-S1177 WeakPolarHBondContact OD2-CB 3.4Å; D1174-S1177 PolarHBondContact OD2-N 3.17Å; D1174-S1177 PolarHBondContact OD2-OG 3Å; S1177-N1326 PolarHBondContact O-ND2 3.46Å
1178G80.3Confident83.9Confident11 Ų1148.7 Ų48.711%0.11327%0.274CS..  trans72.5163.9-176.700000112.5D1174 L1175 T1176D1174-G1178 PolarHBondContact O-N 3.05Å; L1175-G1178 PolarHBondContact O-N 3.39Å; T1176-G1178 PolarHBondContact O-N 3.21Å
1179L89.9Confident84.9Confident3 Ų347.2 Ų47.22%0.01626%0.259CS..  trans-71.9139.8-180-66.2174.9000112.6P1173 Q1183 L1184 A1281 F1286 L1320 S1324P1173-L1179 HydrophobicContact CB-CD2 4.09Å; P1173-L1179 HydrophobicContact CG-CD2 3.37Å; L1179-Q1183 HydrophobicContact CB-CB 4.38Å; L1179-Q1183 HydrophobicContact CD2-CB 4.21Å; L1179-L1184 HydrophobicContact CB-CD2 4.16Å; L1179-L1184 HydrophobicContact CB-CG 4.06Å; L1179-L1184 HydrophobicContact CD1-CD2 4.09Å; L1179-A1281 HydrophobicContact CD1-CB 4.47Å; L1179-A1281 HydrophobicContact CD2-CB 4.17Å; L1179-A1281 HydrophobicContact CG-CB 4.33Å; L1179-F1286 HydrophobicContact CD2-CE2 3.99Å; L1179-F1286 HydrophobicContact CD2-CZ 4.02Å; L1179-L1320 HydrophobicContact CD1-CD1 3.49Å; L1179-L1320 VanDerWaalsContact CD1-CD1 3.49Å; L1179-L1320 HydrophobicContact CD1-CD2 4.31Å; L1179-L1320 HydrophobicContact CD1-CG 3.95Å; L1179-S1324 PolarHBondContact N-O 2.87Å
1180T87.7Confident85.7Confident64 Ų6442.1 Ų42.139%0.39324%0.241SC..  trans-71.6162.4173.177.50000111.1G1182 Q1183 L1184 D1297T1180-G1182 PolarHBondContact O-N 2.85Å; T1180-G1182 PolarHBondContact OG1-N 3.21Å; T1180-Q1183 PolarHBondContact O-N 2.78Å; T1180-Q1183 WeakPolarHBondContact OG1-CG 3.39Å; T1180-Q1183 PolarHBondContact OG1-N 2.87Å; T1180-L1184 VanDerWaalsContact O-CG 3.3Å; T1180-L1184 WeakPolarHBondContact O-CG 3.4Å; T1180-L1184 PolarHBondContact O-N 3.18Å; T1180-D1297 PolarHBondContact OG1-OD1 2.71Å
1181K88.3Confident86.1Confident100 Ų10042 Ų4244%0.43524%0.24SC..Hα-helixtrans-58.4-37.2172.6-175.9175-178.71690112L1184 I1185 T1333 D1336K1181-L1184 PolarHBondContact O-N 2.96Å; K1181-I1185 HydrophobicContact CG-CD1 4.2Å; K1181-I1185 WeakPolarHBondContact O-CG1 3.3Å; K1181-I1185 PolarHBondContact O-N 3.32Å; K1181-T1333 HydrophobicContact CB-CG2 4.25Å; K1181-T1333 HydrophobicContact CD-CG2 4.1Å; K1181-T1333 HydrophobicContact CG-CG2 4.08Å; K1181-D1336 IonicContact NZ-OD2 3.63Å
1182G89.5Confident86.7Confident18 Ų1837.1 Ų37.119%0.18622%0.217CC..Hα-helixtrans-67.4-45.3179.100000111.9T1180 L1184 I1185 N1186T1180-G1182 PolarHBondContact O-N 2.85Å; T1180-G1182 PolarHBondContact OG1-N 3.21Å; G1182-L1184 VanDerWaalsContact C-N 3.33Å; G1182-L1184 PolarHBondContact O-N 2.98Å; G1182-I1185 PolarHBondContact O-N 3.05Å; G1182-N1186 PolarHBondContact O-N 3.35Å; G1182-N1186 VanDerWaalsContact O-N 3.09Å; G1182-N1186 PolarHBondContact O-ND2 3.23Å
1183Q92.4Very high87.3Confident8 Ų836.8 Ų36.84%0.03722%0.219CC..Hα-helixtrans-58.7-44.6172.1-69.9172.9-27.700111.5L1179 T1180 I1185 N1186 C1187 F1286 S1296 D1297L1179-Q1183 HydrophobicContact CB-CB 4.38Å; L1179-Q1183 HydrophobicContact CD2-CB 4.21Å; T1180-Q1183 PolarHBondContact O-N 2.78Å; T1180-Q1183 WeakPolarHBondContact OG1-CG 3.39Å; T1180-Q1183 PolarHBondContact OG1-N 2.87Å; Q1183-I1185 VanDerWaalsContact C-N 3.35Å; Q1183-I1185 PolarHBondContact O-N 2.91Å; Q1183-N1186 PolarHBondContact O-N 3.01Å; Q1183-C1187 PolarHBondContact O-N 3.13Å; Q1183-C1187 PolarHBondContact O-SG 3.38Å; Q1183-F1286 HydrophobicContact CB-CD1 4.44Å; Q1183-F1286 HydrophobicContact CB-CE1 3.59Å; Q1183-F1286 HydrophobicContact CB-CZ 3.8Å; Q1183-F1286 HydrophobicContact CG-CD1 3.84Å; Q1183-F1286 HydrophobicContact CG-CE1 3.48Å; Q1183-F1286 VanDerWaalsContact CG-CE1 3.48Å; Q1183-F1286 HydrophobicContact CG-CZ 3.95Å; Q1183-S1296 PolarHBondContact NE2-O 3.46Å; Q1183-D1297 HydrophobicContact CG-CB 4.42Å; Q1183-D1297 PolarHBondContact N-OD1 3.36Å
1184L94.6Very high88.3Confident0 Ų038.3 Ų38.30%023%0.227CC..Hα-helixtrans-61.1-39.6177.7-73.1169.1000113.3L1179 T1180 K1181 G1182 C1187 A1188 L1320 Y1321 V1325 V1329 V1337L1179-L1184 HydrophobicContact CB-CD2 4.16Å; L1179-L1184 HydrophobicContact CB-CG 4.06Å; L1179-L1184 HydrophobicContact CD1-CD2 4.09Å; T1180-L1184 VanDerWaalsContact O-CG 3.3Å; T1180-L1184 WeakPolarHBondContact O-CG 3.4Å; T1180-L1184 PolarHBondContact O-N 3.18Å; K1181-L1184 PolarHBondContact O-N 2.96Å; G1182-L1184 VanDerWaalsContact C-N 3.33Å; G1182-L1184 PolarHBondContact O-N 2.98Å; L1184-C1187 PolarHBondContact O-N 3.1Å; L1184-A1188 VanDerWaalsContact O-CB 3.31Å; L1184-A1188 WeakPolarHBondContact O-CB 3.47Å; L1184-A1188 PolarHBondContact O-N 2.9Å; L1184-L1320 HydrophobicContact CD2-CD2 3.77Å; L1184-L1320 HydrophobicContact CD2-CG 4.26Å; L1184-Y1321 HydrophobicContact CD1-CE1 4.32Å; L1184-Y1321 HydrophobicContact CD2-CE2 4.37Å; L1184-V1325 HydrophobicContact CD1-CG1 4.06Å; L1184-V1325 HydrophobicContact CD1-CG2 4.05Å; L1184-V1325 HydrophobicContact CD2-CG2 3.48Å; L1184-V1325 VanDerWaalsContact CD2-CG2 3.48Å; L1184-V1325 HydrophobicContact CG-CG2 4.3Å; L1184-V1329 HydrophobicContact CD1-CG1 4.08Å; L1184-V1337 HydrophobicContact CB-CG1 4.24Å; L1184-V1337 HydrophobicContact CB-CG2 4.09Å
1185I94.9Very high89.2Confident50 Ų5034.3 Ų34.326%0.25621%0.205SC..Hα-helixtrans-63.4-44.9175.1-73.3170.6000110.5K1181 G1182 Q1183 A1188 E1189 V1337K1181-I1185 HydrophobicContact CG-CD1 4.2Å; K1181-I1185 WeakPolarHBondContact O-CG1 3.3Å; K1181-I1185 PolarHBondContact O-N 3.32Å; G1182-I1185 PolarHBondContact O-N 3.05Å; Q1183-I1185 VanDerWaalsContact C-N 3.35Å; Q1183-I1185 PolarHBondContact O-N 2.91Å; I1185-A1188 WeakPolarHBondContact O-CB 3.5Å; I1185-A1188 PolarHBondContact O-N 2.75Å; I1185-E1189 WeakPolarHBondContact O-CG 3.46Å; I1185-E1189 PolarHBondContact O-N 3.5Å; I1185-V1337 HydrophobicContact CG1-CG2 4.24Å
1186N94.6Very high90.3Very high52 Ų5231.4 Ų31.428%0.27819%0.191SC..Hα-helixtrans-66.5-39.1178.2-75.6-82.8000111.9G1182 Q1183 A1188 E1189 A1190 D1297 I1299G1182-N1186 PolarHBondContact O-N 3.35Å; G1182-N1186 VanDerWaalsContact O-N 3.09Å; G1182-N1186 PolarHBondContact O-ND2 3.23Å; Q1183-N1186 PolarHBondContact O-N 3.01Å; N1186-A1188 PolarHBondContact O-N 2.87Å; N1186-E1189 PolarHBondContact O-N 2.74Å; N1186-A1190 WeakPolarHBondContact O-CB 3.36Å; N1186-A1190 PolarHBondContact O-N 3.38Å; N1186-D1297 VanDerWaalsContact CB-O 3.32Å; N1186-D1297 WeakPolarHBondContact CB-O 3.39Å; N1186-D1297 PolarHBondContact ND2-O 2.64Å; N1186-I1299 HydrophobicContact CB-CD1 4.23Å; N1186-I1299 HydrophobicContact CB-CG1 4.26Å
1187C96.2Very high91.5Very high0 Ų032.1 Ų32.10%018%0.182CC..Hα-helixtrans-60.9-44.7172.9-67.60000111.6Q1183 L1184 E1189 A1190 V1191 F1279 I1299 L1320Q1183-C1187 PolarHBondContact O-N 3.13Å; Q1183-C1187 PolarHBondContact O-SG 3.38Å; L1184-C1187 PolarHBondContact O-N 3.1Å; C1187-E1189 PolarHBondContact O-N 3.46Å; C1187-A1190 PolarHBondContact O-N 3.2Å; C1187-V1191 WeakPolarHBondContact O-CG2 3.41Å; C1187-V1191 PolarHBondContact O-N 2.99Å; C1187-F1279 HydrophobicContact CB-CE1 4.08Å; C1187-F1279 HydrophobicContact CB-CZ 4.26Å; C1187-I1299 HydrophobicContact CB-CD1 4.29Å; C1187-L1320 HydrophobicContact CB-CD2 3.54Å
1188A95.5Very high92.3Very high0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-60.4-42.1175.400000112.9L1184 I1185 N1186 A1192 L1317 V1337L1184-A1188 VanDerWaalsContact O-CB 3.31Å; L1184-A1188 WeakPolarHBondContact O-CB 3.47Å; L1184-A1188 PolarHBondContact O-N 2.9Å; I1185-A1188 WeakPolarHBondContact O-CB 3.5Å; I1185-A1188 PolarHBondContact O-N 2.75Å; N1186-A1188 PolarHBondContact O-N 2.87Å; A1188-A1192 WeakPolarHBondContact O-CB 3.42Å; A1188-A1192 PolarHBondContact O-N 3.49Å; A1188-L1317 HydrophobicContact CB-CD2 4.17Å; A1188-V1337 HydrophobicContact CB-CG1 3.68Å
1189E95.4Very high92.7Very high53 Ų5329.7 Ų29.725%0.24816%0.158CC..Hα-helixtrans-64.6-43.4173.8-70.2-163.1174.100112.2I1185 N1186 C1187 V1191 A1192 A1193 H1340 K1344 W1348I1185-E1189 WeakPolarHBondContact O-CG 3.46Å; I1185-E1189 PolarHBondContact O-N 3.5Å; N1186-E1189 PolarHBondContact O-N 2.74Å; C1187-E1189 PolarHBondContact O-N 3.46Å; E1189-V1191 PolarHBondContact O-N 2.98Å; E1189-A1192 PolarHBondContact O-N 3.34Å; E1189-A1193 WeakPolarHBondContact O-CB 3.12Å; E1189-A1193 PolarHBondContact O-N 2.94Å; E1189-H1340 WeakPolarHBondContact CG-NE2 3.31Å; E1189-H1340 IonicContact OE1-CD2 2.7Å; E1189-H1340 IonicContact OE1-CE1 2.67Å; E1189-H1340 PolarHBondContact OE1-CE1 2.77Å; E1189-H1340 VanDerWaalsContact OE1-CE1 3.27Å; E1189-H1340 IonicContact OE1-NE2 3.39Å; E1189-H1340 PolarHBondContact OE1-NE2 2.86Å; E1189-K1344 VanDerWaalsContact CD-NZ 3.33Å; E1189-K1344 HydrophobicContact CG-CD 4.45Å; E1189-K1344 HydrophobicContact CG-CG 4.28Å; E1189-K1344 WeakPolarHBondContact OE1-CE 3.46Å; E1189-K1344 IonicContact OE1-NZ 2.73Å; E1189-K1344 PolarHBondContact OE1-NZ 2.69Å; E1189-K1344 IonicContact OE2-NZ 3.6Å; E1189-W1348 WeakPolarHBondContact O-CZ3 3.41Å
1190A95.2Very high92.6Very high29 Ų2934.5 Ų34.524%0.2418%0.184CC..Hα-helixtrans-62.6-43.517900000112.1N1186 C1187 A1193 L1194 I1299 I1302N1186-A1190 WeakPolarHBondContact O-CB 3.36Å; N1186-A1190 PolarHBondContact O-N 3.38Å; C1187-A1190 PolarHBondContact O-N 3.2Å; A1190-A1193 PolarHBondContact O-N 3.27Å; A1190-L1194 PolarHBondContact O-N 3.13Å; A1190-I1299 HydrophobicContact CB-CD1 3.98Å; A1190-I1302 HydrophobicContact CB-CD1 4.01Å
1191V95.9Very high92.6Very high3 Ų333.1 Ų33.12%0.01818%0.175CC..Hα-helixtrans-64.2-44.2175.1174.30000110.9C1187 E1189 A1193 L1194 Q1195 F1279 D1316 L1317 Y1341C1187-V1191 WeakPolarHBondContact O-CG2 3.41Å; C1187-V1191 PolarHBondContact O-N 2.99Å; E1189-V1191 PolarHBondContact O-N 2.98Å; V1191-A1193 VanDerWaalsContact C-N 3.25Å; V1191-A1193 PolarHBondContact O-N 2.8Å; V1191-L1194 PolarHBondContact O-N 3.38Å; V1191-Q1195 HydrophobicContact CG1-CG 4.29Å; V1191-Q1195 VanDerWaalsContact CG1-NE2 3.34Å; V1191-Q1195 WeakPolarHBondContact O-CB 3.31Å; V1191-Q1195 VanDerWaalsContact O-CG 3.27Å; V1191-Q1195 WeakPolarHBondContact O-CG 3.2Å; V1191-Q1195 PolarHBondContact O-N 3.06Å; V1191-F1279 HydrophobicContact CG2-CD1 3.93Å; V1191-F1279 HydrophobicContact CG2-CE1 3.43Å; V1191-F1279 VanDerWaalsContact CG2-CE1 3.43Å; V1191-F1279 HydrophobicContact CG2-CE2 4.36Å; V1191-F1279 HydrophobicContact CG2-CZ 3.69Å; V1191-D1316 HydrophobicContact CG1-CB 4.23Å; V1191-D1316 HydrophobicContact CG2-CB 4.18Å; V1191-L1317 HydrophobicContact CB-CG 4.43Å; V1191-L1317 HydrophobicContact CG1-CG 4.27Å; V1191-L1317 HydrophobicContact CG2-CG 4.49Å; V1191-Y1341 HydrophobicContact CG1-CD2 4.5Å; V1191-Y1341 HydrophobicContact CG1-CE2 4.03Å
1192A93.2Very high92.5Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-59.7-37.1175.300000112A1188 E1189 A1196 Y1341 K1344 I1345 W1348A1188-A1192 WeakPolarHBondContact O-CB 3.42Å; A1188-A1192 PolarHBondContact O-N 3.49Å; E1189-A1192 PolarHBondContact O-N 3.34Å; A1192-A1196 WeakPolarHBondContact O-CB 3.47Å; A1192-A1196 PolarHBondContact O-N 2.72Å; A1192-Y1341 HydrophobicContact CB-CD2 3.76Å; A1192-Y1341 HydrophobicContact CB-CE2 4.01Å; A1192-K1344 HydrophobicContact CB-CB 3.9Å; A1192-I1345 HydrophobicContact CB-CB 4.24Å; A1192-W1348 HydrophobicContact CB-CE3 4.08Å; A1192-W1348 HydrophobicContact CB-CZ3 3.84Å
1193A93.4Very high92.2Very high43 Ų4343.4 Ų43.436%0.35522%0.215SC..Hα-helixtrans-68.5-46.5179.700000111.5E1189 A1190 V1191 Q1195 A1196 W1197 W1348E1189-A1193 WeakPolarHBondContact O-CB 3.12Å; E1189-A1193 PolarHBondContact O-N 2.94Å; A1190-A1193 PolarHBondContact O-N 3.27Å; V1191-A1193 VanDerWaalsContact C-N 3.25Å; V1191-A1193 PolarHBondContact O-N 2.8Å; A1193-Q1195 PolarHBondContact O-N 2.85Å; A1193-A1196 PolarHBondContact O-N 3.41Å; A1193-W1197 WeakPolarHBondContact O-CB 3.34Å; A1193-W1197 PolarHBondContact O-N 3.18Å; A1193-W1348 VanDerWaalsContact CA-CZ3 3.47Å; A1193-W1348 HydrophobicContact CB-CE3 4.17Å; A1193-W1348 HydrophobicContact CB-CH2 4.02Å; A1193-W1348 HydrophobicContact CB-CZ3 3.56Å; A1193-W1348 VanDerWaalsContact N-CZ3 3.31Å
1194L93.7Very high91.9Very high38 Ų3848.9 Ų48.920%0.19924%0.241CC..Hα-helixtrans-58.6-47.5175.8179.169.7000111.5A1190 V1191 W1197 S1198 L1274 W1305A1190-L1194 PolarHBondContact O-N 3.13Å; V1191-L1194 PolarHBondContact O-N 3.38Å; L1194-W1197 WeakPolarHBondContact O-CB 3.39Å; L1194-W1197 PolarHBondContact O-N 3.06Å; L1194-S1198 PolarHBondContact O-N 3.49Å; L1194-L1274 HydrophobicContact CD1-CD2 4.23Å; L1194-W1305 HydrophobicContact CD1-CH2 3.81Å; L1194-W1305 HydrophobicContact CD1-CZ3 4.19Å; L1194-W1305 HydrophobicContact CD2-CH2 3.61Å; L1194-W1305 HydrophobicContact CD2-CZ3 3.81Å; L1194-W1305 HydrophobicContact CG-CH2 4.34Å
1195Q92.9Very high91.6Very high0 Ų049.2 Ų49.20%024%0.242CC..Hα-helixtrans-72.3-37.6-176.6-67176.8-6.800111.7V1191 A1193 W1197 S1198 F1199 V1273 F1313 Y1341 I1345V1191-Q1195 HydrophobicContact CG1-CG 4.29Å; V1191-Q1195 VanDerWaalsContact CG1-NE2 3.34Å; V1191-Q1195 WeakPolarHBondContact O-CB 3.31Å; V1191-Q1195 VanDerWaalsContact O-CG 3.27Å; V1191-Q1195 WeakPolarHBondContact O-CG 3.2Å; V1191-Q1195 PolarHBondContact O-N 3.06Å; A1193-Q1195 PolarHBondContact O-N 2.85Å; Q1195-W1197 VanDerWaalsContact C-N 3.32Å; Q1195-W1197 PolarHBondContact O-N 3.48Å; Q1195-S1198 WeakPolarHBondContact O-CB 3.42Å; Q1195-S1198 PolarHBondContact O-N 3.33Å; Q1195-S1198 VanDerWaalsContact O-N 3.11Å; Q1195-S1198 PolarHBondContact O-OG 3.2Å; Q1195-F1199 VanDerWaalsContact O-CD2 3.25Å; Q1195-F1199 WeakPolarHBondContact O-CD2 3.19Å; Q1195-F1199 PolarHBondContact O-N 3.39Å; Q1195-V1273 HydrophobicContact CB-CB 4.18Å; Q1195-V1273 HydrophobicContact CB-CG1 4.14Å; Q1195-V1273 HydrophobicContact CB-CG2 4.48Å; Q1195-V1273 HydrophobicContact CG-CB 3.99Å; Q1195-V1273 HydrophobicContact CG-CG1 4.4Å; Q1195-V1273 HydrophobicContact CG-CG2 3.84Å; Q1195-F1313 PolarHBondContact NE2-O 3.22Å; Q1195-F1313 PolarHBondContact OE1-O 3.3Å; Q1195-Y1341 VanDerWaalsContact OE1-CZ 3.31Å; Q1195-Y1341 PolarHBondContact OE1-OH 3.16Å; Q1195-I1345 HydrophobicContact CB-CD1 3.87Å
1196A90.2Very high91.2Very high4 Ų451.3 Ų51.33%0.03325%0.247CC..Hα-helixtrans-61.9-40.2170.700000111.9A1192 A1193 S1198 F1199 N1200 W1348 A1349A1192-A1196 WeakPolarHBondContact O-CB 3.47Å; A1192-A1196 PolarHBondContact O-N 2.72Å; A1193-A1196 PolarHBondContact O-N 3.41Å; A1196-S1198 VanDerWaalsContact C-N 3.3Å; A1196-S1198 PolarHBondContact O-N 3.06Å; A1196-F1199 PolarHBondContact O-N 3.37Å; A1196-N1200 WeakPolarHBondContact O-CB 3.32Å; A1196-N1200 PolarHBondContact O-N 3.19Å; A1196-N1200 PolarHBondContact O-ND2 3.34Å; A1196-W1348 HydrophobicContact CB-CB 3.51Å; A1196-W1348 HydrophobicContact CB-CE3 4.45Å; A1196-W1348 HydrophobicContact CB-CG 4.5Å; A1196-A1349 HydrophobicContact CB-CB 4.1Å
1197W93.2Very high90.7Very high117 Ų11756 Ų5644%0.44327%0.265SS..Hα-helixtrans-58.7-41.9171.3174.990.3000111.4A1193 L1194 Q1195 F1199 N1200 T1201 L1274A1193-W1197 WeakPolarHBondContact O-CB 3.34Å; A1193-W1197 PolarHBondContact O-N 3.18Å; L1194-W1197 WeakPolarHBondContact O-CB 3.39Å; L1194-W1197 PolarHBondContact O-N 3.06Å; Q1195-W1197 VanDerWaalsContact C-N 3.32Å; Q1195-W1197 PolarHBondContact O-N 3.48Å; W1197-F1199 PolarHBondContact O-N 3.46Å; W1197-N1200 PolarHBondContact O-N 2.92Å; W1197-N1200 VanDerWaalsContact O-N 3.15Å; W1197-T1201 HydrophobicContact CD2-CG2 4.19Å; W1197-T1201 HydrophobicContact CE3-CG2 4.23Å; W1197-T1201 HydrophobicContact CH2-CG2 4.11Å; W1197-T1201 HydrophobicContact CZ2-CG2 4.07Å; W1197-T1201 HydrophobicContact CZ3-CG2 4.18Å; W1197-T1201 WeakPolarHBondContact O-CB 3.29Å; W1197-T1201 WeakPolarHBondContact O-CG2 3.34Å; W1197-T1201 PolarHBondContact O-N 3.49Å; W1197-L1274 HydrophobicContact CZ3-CD2 4Å
1198S91.9Very high90Very high0 Ų062.4 Ų62.40%029%0.294CS..Hα-helixtrans-63.4-23.9179.683.60000114.4L1194 Q1195 A1196 W1205 R1206 V1273L1194-S1198 PolarHBondContact O-N 3.49Å; Q1195-S1198 WeakPolarHBondContact O-CB 3.42Å; Q1195-S1198 PolarHBondContact O-N 3.33Å; Q1195-S1198 VanDerWaalsContact O-N 3.11Å; Q1195-S1198 PolarHBondContact O-OG 3.2Å; A1196-S1198 VanDerWaalsContact C-N 3.3Å; A1196-S1198 PolarHBondContact O-N 3.06Å; S1198-W1205 PolarHBondContact O-NE1 2.99Å; S1198-R1206 PolarHBondContact O-NH2 3.48Å; S1198-V1273 WeakPolarHBondContact OG-CB 3.42Å
1199F87.8Confident89.5Confident41 Ų4163.4 Ų63.418%0.1830%0.301CS..Hα-helixtrans-85.1-39.8172-69-56.1000113Q1195 A1196 W1197 V1270 P1271 V1273 I1345 A1349 A1352Q1195-F1199 VanDerWaalsContact O-CD2 3.25Å; Q1195-F1199 WeakPolarHBondContact O-CD2 3.19Å; Q1195-F1199 PolarHBondContact O-N 3.39Å; A1196-F1199 PolarHBondContact O-N 3.37Å; W1197-F1199 PolarHBondContact O-N 3.46Å; F1199-V1270 HydrophobicContact CZ-CG1 3.93Å; F1199-P1271 HydrophobicContact CE1-CB 4.18Å; F1199-P1271 HydrophobicContact CE1-CG 4.37Å; F1199-V1273 HydrophobicContact CD2-CG1 4.35Å; F1199-V1273 HydrophobicContact CE1-CG1 3.88Å; F1199-V1273 HydrophobicContact CE2-CG1 3.5Å; F1199-V1273 VanDerWaalsContact CE2-CG1 3.5Å; F1199-V1273 HydrophobicContact CZ-CG1 3.21Å; F1199-I1345 HydrophobicContact CE2-CD1 4.26Å; F1199-A1349 HydrophobicContact CB-CB 4.31Å; F1199-A1349 HydrophobicContact CD2-CB 3.9Å; F1199-A1349 HydrophobicContact CG-CB 4.5Å; F1199-A1352 HydrophobicContact CB-CB 4.36Å; F1199-A1352 HydrophobicContact CD1-CB 3.73Å; F1199-A1352 HydrophobicContact CD2-CB 3.71Å; F1199-A1352 HydrophobicContact CE1-CB 3.83Å; F1199-A1352 HydrophobicContact CE2-CB 3.79Å; F1199-A1352 HydrophobicContact CG-CB 3.68Å; F1199-A1352 HydrophobicContact CZ-CB 3.85Å
1200N88.2Confident88.9Confident104 Ų10463 Ų6356%0.55630%0.302SS*.Hα-helixtrans-90.5-19.6-171.1-67.8-28.7000113.6A1196 W1197 W1348A1196-N1200 WeakPolarHBondContact O-CB 3.32Å; A1196-N1200 PolarHBondContact O-N 3.19Å; A1196-N1200 PolarHBondContact O-ND2 3.34Å; W1197-N1200 PolarHBondContact O-N 2.92Å; W1197-N1200 VanDerWaalsContact O-N 3.15Å; N1200-W1348 PolarHBondContact ND2-O 3.43Å
1201T88.9Confident88.3Confident35 Ų3564.7 Ų64.722%0.21531%0.308CS..  trans-68.4140-179.3-169.80000111.2W1197 Y1203W1197-T1201 HydrophobicContact CD2-CG2 4.19Å; W1197-T1201 HydrophobicContact CE3-CG2 4.23Å; W1197-T1201 HydrophobicContact CH2-CG2 4.11Å; W1197-T1201 HydrophobicContact CZ2-CG2 4.07Å; W1197-T1201 HydrophobicContact CZ3-CG2 4.18Å; W1197-T1201 WeakPolarHBondContact O-CB 3.29Å; W1197-T1201 WeakPolarHBondContact O-CG2 3.34Å; W1197-T1201 PolarHBondContact O-N 3.49Å; T1201-Y1203 WeakPolarHBondContact OG1-CB 2.98Å; T1201-Y1203 PolarHBondContact OG1-N 2.89Å
1202Q84.3Confident87.1Confident198 Ų19865.6 Ų65.693%0.92531%0.312SS*.  trans-81.7-6.3170.6-63.8-171.5-2.500112.3
1203Y83.6Confident86.2Confident137 Ų13769.9 Ų69.954%0.53733%0.334SS..SBendtrans-75.6130.6-179.4-172.8-100.8000111.1T1201 W1205 E1208T1201-Y1203 WeakPolarHBondContact OG1-CB 2.98Å; T1201-Y1203 PolarHBondContact OG1-N 2.89Å; Y1203-W1205 HydrophobicContact CD1-CB 3.86Å; Y1203-W1205 HydrophobicContact CE1-CB 4.2Å; Y1203-W1205 PolarHBondContact O-N 3.17Å; Y1203-E1208 HydrophobicContact CE1-CG 4.33Å
1204E87Confident85.4Confident122 Ų12270.8 Ų70.857%0.5734%0.336SS*.  trans-77.451-178.3-67.2-164.614600113.2R1206 K1207E1204-R1206 PolarHBondContact O-N 2.97Å; E1204-K1207 PolarHBondContact O-N 2.89Å; E1204-K1207 VanDerWaalsContact O-N 3.08Å; E1204-K1207 IonicContact OE1-NZ 2.73Å; E1204-K1207 WeakPolarHBondContact OE2-CE 3.27Å; E1204-K1207 IonicContact OE2-NZ 3.91Å; E1204-K1207 PolarHBondContact OE2-NZ 3.34Å
1205W88.3Confident84.3Confident7 Ų770.7 Ų70.73%0.02733%0.334CS..G310 helixtrans-53.7-25.7-177.962.7-92.6000114.1S1198 Y1203 K1207 E1208 V1209 V1273 L1274 Q1310S1198-W1205 PolarHBondContact O-NE1 2.99Å; Y1203-W1205 HydrophobicContact CD1-CB 3.86Å; Y1203-W1205 HydrophobicContact CE1-CB 4.2Å; Y1203-W1205 PolarHBondContact O-N 3.17Å; W1205-K1207 PolarHBondContact O-N 3.39Å; W1205-E1208 PolarHBondContact O-N 2.71Å; W1205-V1209 HydrophobicContact CE3-CG2 3.74Å; W1205-V1209 HydrophobicContact CZ3-CG2 3.91Å; W1205-V1209 PolarHBondContact O-N 2.81Å; W1205-V1273 WeakPolarHBondContact CH2-O 3.33Å; W1205-L1274 HydrophobicContact CD2-CB 4.26Å; W1205-L1274 HydrophobicContact CE3-CB 3.93Å; W1205-L1274 HydrophobicContact CE3-CD1 3.86Å; W1205-L1274 HydrophobicContact CE3-CG 4.41Å; W1205-L1274 HydrophobicContact CH2-CB 4.13Å; W1205-L1274 HydrophobicContact CZ2-CB 4.38Å; W1205-L1274 HydrophobicContact CZ3-CB 3.84Å; W1205-L1274 HydrophobicContact CZ3-CD1 4.04Å; W1205-Q1310 HydrophobicContact CE3-CG 4.49Å; W1205-Q1310 HydrophobicContact CH2-CG 4.29Å; W1205-Q1310 HydrophobicContact CZ3-CB 4.25Å; W1205-Q1310 HydrophobicContact CZ3-CG 3.7Å
1206R85.6Confident83.2Confident94 Ų9471.1 Ų71.136%0.35534%0.337SS..G310 helixtrans-64.2-15.8179.4-66.6-178.9-176.578.64.9114.1S1198 E1204 D1272 Q1310S1198-R1206 PolarHBondContact O-NH2 3.48Å; E1204-R1206 PolarHBondContact O-N 2.97Å; R1206-D1272 PolarHBondContact NH2-O 3.16Å; R1206-D1272 VanDerWaalsContact NH2-O 3.17Å; R1206-Q1310 HydrophobicContact CG-CG 4.46Å; R1206-Q1310 PolarHBondContact O-NE2 3.45Å
1207K83.8Confident82.2Confident151 Ų15174.5 Ų74.566%0.65736%0.355SS*.G310 helixtrans-88.5-22.5173.2-68.5178.2-178.9165.70112.7E1204 W1205E1204-K1207 PolarHBondContact O-N 2.89Å; E1204-K1207 VanDerWaalsContact O-N 3.08Å; E1204-K1207 IonicContact OE1-NZ 2.73Å; E1204-K1207 WeakPolarHBondContact OE2-CE 3.27Å; E1204-K1207 IonicContact OE2-NZ 3.91Å; E1204-K1207 PolarHBondContact OE2-NZ 3.34Å; W1205-K1207 PolarHBondContact O-N 3.39Å
1208E82.5Confident81Confident134 Ų13476.5 Ų76.563%0.62636%0.362SS*.THydrogen-bonded Turntrans-89.4-21.7-172.6-57.9-58.2141.700113.3Y1203 W1205Y1203-E1208 HydrophobicContact CE1-CG 4.33Å; W1205-E1208 PolarHBondContact O-N 2.71Å
1209V84.6Confident79.7Confident22 Ų2278.3 Ų78.313%0.13337%0.373CS..SBendtrans-117.6144.6-178.6-56.20000111.3W1205 L1274 Q1310W1205-V1209 HydrophobicContact CE3-CG2 3.74Å; W1205-V1209 HydrophobicContact CZ3-CG2 3.91Å; W1205-V1209 PolarHBondContact O-N 2.81Å; V1209-L1274 HydrophobicContact CG1-CD1 4.12Å; V1209-L1274 HydrophobicContact CG2-CD1 4.01Å; V1209-Q1310 HydrophobicContact CG2-CG 3.77Å; V1209-Q1310 PolarHBondContact O-NE2 3.04Å
1210P83.2Confident78.8Confident43 Ų4378.1 Ų78.128%0.27937%0.372SS..  trans-54.1145.5-178.7-23.832.7000112T1214 H1309 Q1310P1210-T1214 HydrophobicContact CB-CG2 4.36Å; P1210-H1309 HydrophobicContact CB-CB 4.41Å; P1210-H1309 WeakPolarHBondContact O-CA 3.46Å; P1210-H1309 WeakPolarHBondContact O-CB 3.23Å; P1210-Q1310 PolarHBondContact O-N 2.84Å
1211D81.8Confident77.8Confident66 Ų6677.8 Ų77.835%0.35338%0.379SS..  trans-70.6163.1168.269.528.8000111.5L1213 T1214 H1215D1211-L1213 PolarHBondContact O-N 3.48Å; D1211-L1213 PolarHBondContact OD1-N 2.91Å; D1211-T1214 PolarHBondContact O-N 3.25Å; D1211-T1214 VanDerWaalsContact OD1-CB 3.28Å; D1211-T1214 WeakPolarHBondContact OD1-CB 3.23Å; D1211-T1214 PolarHBondContact OD1-N 2.81Å; D1211-T1214 PolarHBondContact OD1-OG1 3.45Å; D1211-H1215 PolarHBondContact O-N 3.05Å
1212M71.9Confident76.4Confident22 Ų2280.9 Ų80.911%0.10839%0.393CS..Hα-helixtrans-57.1-35.4-178.4-173-176.9-92.900113.1H1215 A1216 M1263 Q1310 G1311 E1315M1212-H1215 PolarHBondContact O-N 3.27Å; M1212-A1216 VanDerWaalsContact O-CB 3.27Å; M1212-A1216 WeakPolarHBondContact O-CB 3.41Å; M1212-A1216 PolarHBondContact O-N 2.89Å; M1212-M1263 HydrophobicContact CE-CE 4.42Å; M1212-M1263 HydrophobicContact CG-CE 3.42Å; M1212-M1263 VanDerWaalsContact CG-CE 3.42Å; M1212-M1263 HydrophobicContact CG-SD 4.04Å; M1212-M1263 HydrophobicContact SD-CB 3.75Å; M1212-M1263 HydrophobicContact SD-CE 3.51Å; M1212-M1263 VanDerWaalsContact SD-CE 3.51Å; M1212-M1263 HydrophobicContact SD-CG 3.63Å; M1212-M1263 HydrophobicContact SD-SD 3.77Å; M1212-Q1310 WeakPolarHBondContact CA-O 3.35Å; M1212-Q1310 WeakPolarHBondContact CB-O 3.31Å; M1212-Q1310 PolarHBondContact N-O 3.12Å; M1212-G1311 VanDerWaalsContact CE-CA 3.44Å; M1212-E1315 WeakPolarHBondContact CE-OE1 3.31Å
1213L73.7Confident75.3Confident90 Ų9071.9 Ų71.947%0.47135%0.351SS..Hα-helixtrans-69.8-42.7-179.6-90.5141.5000111.3D1211 H1215 A1216 D1217 I1260D1211-L1213 PolarHBondContact O-N 3.48Å; D1211-L1213 PolarHBondContact OD1-N 2.91Å; L1213-H1215 VanDerWaalsContact C-N 3.31Å; L1213-H1215 PolarHBondContact O-N 3.11Å; L1213-A1216 PolarHBondContact O-N 2.79Å; L1213-D1217 PolarHBondContact O-N 3.25Å; L1213-I1260 HydrophobicContact CD2-CD1 4.13Å; L1213-I1260 HydrophobicContact CD2-CG1 4.29Å
1214T75.7Confident74.3Confident62 Ų6269.1 Ų69.138%0.3836%0.364SS..Hα-helixtrans-63.8-39.6176.9-52.90000110.8P1210 D1211 R1218P1210-T1214 HydrophobicContact CB-CG2 4.36Å; D1211-T1214 PolarHBondContact O-N 3.25Å; D1211-T1214 VanDerWaalsContact OD1-CB 3.28Å; D1211-T1214 WeakPolarHBondContact OD1-CB 3.23Å; D1211-T1214 PolarHBondContact OD1-N 2.81Å; D1211-T1214 PolarHBondContact OD1-OG1 3.45Å; T1214-R1218 PolarHBondContact O-N 3.24Å
1215H71.8Confident73.3Confident36 Ų3666 Ų6617%0.16736%0.356CS..Hα-helixtrans-66.1-47.6173.2-173.882000111.5D1211 M1212 L1213 D1217 R1218 V1219 H1309D1211-H1215 PolarHBondContact O-N 3.05Å; M1212-H1215 PolarHBondContact O-N 3.27Å; L1213-H1215 VanDerWaalsContact C-N 3.31Å; L1213-H1215 PolarHBondContact O-N 3.11Å; H1215-D1217 VanDerWaalsContact C-N 3.33Å; H1215-D1217 PolarHBondContact O-N 2.96Å; H1215-R1218 WeakPolarHBondContact O-CB 3.39Å; H1215-R1218 PolarHBondContact O-N 3.08Å; H1215-R1218 VanDerWaalsContact O-N 3.16Å; H1215-V1219 PolarHBondContact O-N 3.05Å; H1215-H1309 HydrophobicContact CB-CB 4.35Å; H1215-H1309 AromaticContact CD2-CE1 3.69Å; H1215-H1309 AromaticContact CD2-NE2 3.64Å; H1215-H1309 AromaticContact CE1-CE1 3.78Å; H1215-H1309 AromaticContact CE1-ND1 3.79Å; H1215-H1309 AromaticContact CG-CD2 3.86Å; H1215-H1309 AromaticContact CG-CE1 3.89Å; H1215-H1309 AromaticContact CG-CG 3.86Å; H1215-H1309 AromaticContact CG-ND1 3.88Å; H1215-H1309 AromaticContact CG-NE2 3.87Å; H1215-H1309 AromaticContact ND1-CE1 3.94Å; H1215-H1309 AromaticContact ND1-CG 3.95Å; H1215-H1309 AromaticContact ND1-ND1 3.66Å; H1215-H1309 AromaticContact NE2-CE1 3.65Å
1216A68.5Low72.6Confident8 Ų865.7 Ų65.77%0.06636%0.355CS..Hα-helixtrans-60-39.4179.500000112.5M1212 L1213 R1218 V1219 F1220 M1263M1212-A1216 VanDerWaalsContact O-CB 3.27Å; M1212-A1216 WeakPolarHBondContact O-CB 3.41Å; M1212-A1216 PolarHBondContact O-N 2.89Å; L1213-A1216 PolarHBondContact O-N 2.79Å; A1216-R1218 VanDerWaalsContact C-N 3.33Å; A1216-R1218 PolarHBondContact O-N 3.09Å; A1216-V1219 PolarHBondContact O-N 3.12Å; A1216-V1219 VanDerWaalsContact O-N 3.13Å; A1216-F1220 HydrophobicContact CB-CD2 4.23Å; A1216-F1220 HydrophobicContact CB-CE2 4.07Å; A1216-F1220 WeakPolarHBondContact O-CD2 3.12Å; A1216-F1220 PolarHBondContact O-N 3Å; A1216-M1263 HydrophobicContact CB-CE 4.3Å
1217D70.8Confident72.2Confident75 Ų7564.6 Ų64.640%0.40135%0.354SS..Hα-helixtrans-62.4-37.8177.1-83.7-18.7000112.6L1213 H1215 V1219 S1221 K1256L1213-D1217 PolarHBondContact O-N 3.25Å; H1215-D1217 VanDerWaalsContact C-N 3.33Å; H1215-D1217 PolarHBondContact O-N 2.96Å; D1217-V1219 VanDerWaalsContact C-N 3.34Å; D1217-S1221 PolarHBondContact O-N 3.33Å; D1217-S1221 VanDerWaalsContact O-N 3.12Å; D1217-K1256 VanDerWaalsContact OD1-CE 3.25Å; D1217-K1256 WeakPolarHBondContact OD1-CE 3.44Å; D1217-K1256 IonicContact OD1-NZ 3.17Å; D1217-K1256 PolarHBondContact OD1-NZ 3.32Å
1218R66.8Low71.8Confident159 Ų15965.6 Ų65.660%0.636%0.358SS*.Hα-helixtrans-62.2-43.8172.6-67.4179.3-173.8-177.32.8110.7T1214 H1215 A1216 S1221T1214-R1218 PolarHBondContact O-N 3.24Å; H1215-R1218 WeakPolarHBondContact O-CB 3.39Å; H1215-R1218 PolarHBondContact O-N 3.08Å; H1215-R1218 VanDerWaalsContact O-N 3.16Å; A1216-R1218 VanDerWaalsContact C-N 3.33Å; A1216-R1218 PolarHBondContact O-N 3.09Å; R1218-S1221 PolarHBondContact O-N 3.03Å; R1218-S1221 PolarHBondContact O-OG 3.21Å
1219V64.8Low71.4Confident39 Ų3961.5 Ų61.524%0.23634%0.339CS..Hα-helixtrans-65.4-50.1178.3179.20000111.1H1215 A1216 D1217 S1221 L1222 L1223H1215-V1219 PolarHBondContact O-N 3.05Å; A1216-V1219 PolarHBondContact O-N 3.12Å; A1216-V1219 VanDerWaalsContact O-N 3.13Å; D1217-V1219 VanDerWaalsContact C-N 3.34Å; V1219-S1221 PolarHBondContact O-N 3.04Å; V1219-L1222 WeakPolarHBondContact O-CB 3.37Å; V1219-L1222 PolarHBondContact O-N 3.26Å; V1219-L1223 HydrophobicContact CG1-CD1 4.06Å; V1219-L1223 HydrophobicContact CG1-CG 4.39Å; V1219-L1223 WeakPolarHBondContact O-CG 3.37Å; V1219-L1223 PolarHBondContact O-N 3.3Å
1220F68.2Low71Confident36 Ų3660.5 Ų60.516%0.15833%0.333CS..Hα-helixtrans-59-32.2179.5-78-62.1000113.2A1216 L1222 L1223 L1253 K1256 T1259A1216-F1220 HydrophobicContact CB-CD2 4.23Å; A1216-F1220 HydrophobicContact CB-CE2 4.07Å; A1216-F1220 WeakPolarHBondContact O-CD2 3.12Å; A1216-F1220 PolarHBondContact O-N 3Å; F1220-L1222 PolarHBondContact O-N 2.88Å; F1220-L1223 HydrophobicContact CD1-CD1 4.25Å; F1220-L1223 PolarHBondContact O-N 3.24Å; F1220-L1223 VanDerWaalsContact O-N 3.13Å; F1220-L1253 WeakPolarHBondContact CE1-O 3.16Å; F1220-K1256 HydrophobicContact CD1-CB 4.49Å; F1220-K1256 HydrophobicContact CD2-CD 4.21Å; F1220-K1256 HydrophobicContact CD2-CG 4.07Å; F1220-K1256 HydrophobicContact CE1-CB 4.15Å; F1220-K1256 HydrophobicContact CE2-CB 4.32Å; F1220-K1256 HydrophobicContact CE2-CD 4.48Å; F1220-K1256 HydrophobicContact CE2-CG 3.85Å; F1220-K1256 HydrophobicContact CZ-CB 4.08Å; F1220-K1256 HydrophobicContact CZ-CG 4.11Å; F1220-T1259 HydrophobicContact CZ-CG2 3.95Å
1221S67Low71Confident98 Ų9862.9 Ų62.969%0.68534%0.34SS*.Hα-helixtrans-61.7-28.617680.30000113.4D1217 R1218 V1219D1217-S1221 PolarHBondContact O-N 3.33Å; D1217-S1221 VanDerWaalsContact O-N 3.12Å; R1218-S1221 PolarHBondContact O-N 3.03Å; R1218-S1221 PolarHBondContact O-OG 3.21Å; V1219-S1221 PolarHBondContact O-N 3.04Å
1222L60.1Low70.8Confident100 Ų10062.1 Ų62.152%0.52434%0.343SS..Hα-helixtrans-81-23.9176.9-71.7154.7000112.5V1219 F1220 Y1382V1219-L1222 WeakPolarHBondContact O-CB 3.37Å; V1219-L1222 PolarHBondContact O-N 3.26Å; F1220-L1222 PolarHBondContact O-N 2.88Å; L1222-Y1382 PolarHBondContact O-OH 3Å
1223L62.1Low70.9Confident9 Ų961 Ų615%0.04734%0.338CS..  trans-88.1-3.9-169.8-61.5-178.9000114.4V1219 F1220 S1225 I1226 V1378V1219-L1223 HydrophobicContact CG1-CD1 4.06Å; V1219-L1223 HydrophobicContact CG1-CG 4.39Å; V1219-L1223 WeakPolarHBondContact O-CG 3.37Å; V1219-L1223 PolarHBondContact O-N 3.3Å; F1220-L1223 HydrophobicContact CD1-CD1 4.25Å; F1220-L1223 PolarHBondContact O-N 3.24Å; F1220-L1223 VanDerWaalsContact O-N 3.13Å; L1223-S1225 PolarHBondContact O-N 2.92Å; L1223-I1226 HydrophobicContact CB-CD1 3.4Å; L1223-I1226 VanDerWaalsContact CB-CD1 3.4Å; L1223-I1226 HydrophobicContact CB-CG1 4.29Å; L1223-I1226 HydrophobicContact CD1-CD1 4.43Å; L1223-I1226 HydrophobicContact CD2-CD1 3.43Å; L1223-I1226 VanDerWaalsContact CD2-CD1 3.43Å; L1223-I1226 HydrophobicContact CD2-CG1 4.4Å; L1223-I1226 HydrophobicContact CG-CD1 3.83Å; L1223-I1226 VanDerWaalsContact O-CD1 3.27Å; L1223-I1226 WeakPolarHBondContact O-CD1 3.42Å; L1223-I1226 WeakPolarHBondContact O-CG1 3.41Å; L1223-I1226 PolarHBondContact O-N 3Å; L1223-V1378 HydrophobicContact CD2-CG1 4.42Å
1224G62.7Low71.2Confident78 Ų7858.3 Ų58.380%0.80432%0.323SS*.THydrogen-bonded Turntrans-64.4-8.8-170.800000117.4
1225S66.1Low71.3Confident56 Ų5664.1 Ų64.139%0.39234%0.343SS..THydrogen-bonded Turntrans-123.213.1-178.963.10000115.3L1223 E1227 Q1229L1223-S1225 PolarHBondContact O-N 2.92Å; S1225-E1227 PolarHBondContact O-N 2.92Å; S1225-Q1229 PolarHBondContact O-N 3.18Å; S1225-Q1229 PolarHBondContact OG-NE2 3.08Å; S1225-Q1229 PolarHBondContact OG-OE1 3.4Å; S1225-Q1229 VanDerWaalsContact OG-OE1 3.12Å
1226I72.5Confident71.3Confident2 Ų267.2 Ų67.21%0.0136%0.356CS..Hα-helixtrans-60.5-48.9-167.2-69.8165000113.2L1223 K1228 Q1229 L1230 L1253 V1378L1223-I1226 HydrophobicContact CB-CD1 3.4Å; L1223-I1226 VanDerWaalsContact CB-CD1 3.4Å; L1223-I1226 HydrophobicContact CB-CG1 4.29Å; L1223-I1226 HydrophobicContact CD1-CD1 4.43Å; L1223-I1226 HydrophobicContact CD2-CD1 3.43Å; L1223-I1226 VanDerWaalsContact CD2-CD1 3.43Å; L1223-I1226 HydrophobicContact CD2-CG1 4.4Å; L1223-I1226 HydrophobicContact CG-CD1 3.83Å; L1223-I1226 VanDerWaalsContact O-CD1 3.27Å; L1223-I1226 WeakPolarHBondContact O-CD1 3.42Å; L1223-I1226 WeakPolarHBondContact O-CG1 3.41Å; L1223-I1226 PolarHBondContact O-N 3Å; I1226-K1228 VanDerWaalsContact C-N 3.27Å; I1226-K1228 PolarHBondContact O-N 3.23Å; I1226-Q1229 PolarHBondContact O-N 2.87Å; I1226-Q1229 VanDerWaalsContact O-N 3.07Å; I1226-L1230 HydrophobicContact CG2-CB 4.26Å; I1226-L1230 HydrophobicContact CG2-CD2 4.35Å; I1226-L1230 WeakPolarHBondContact O-CB 3.46Å; I1226-L1230 PolarHBondContact O-N 3.08Å; I1226-L1253 HydrophobicContact CD1-CD1 4.44Å; I1226-V1378 HydrophobicContact CD1-CG1 3.8Å; I1226-V1378 HydrophobicContact CD1-CG2 4.06Å; I1226-V1378 HydrophobicContact CG1-CG1 3.63Å; I1226-V1378 HydrophobicContact CG1-CG2 4.33Å; I1226-V1378 HydrophobicContact CG2-CG1 4.17Å; I1226-V1378 HydrophobicContact CG2-CG2 3.58Å
1227E76.8Confident71.4Confident70 Ų7069 Ų6933%0.32736%0.363SS..Hα-helixtrans-56.8-43.8-169.6-163.7-179.4139.200112.1S1225 Q1231 S1250S1225-E1227 PolarHBondContact O-N 2.92Å; E1227-Q1231 VanDerWaalsContact O-CB 3.31Å; E1227-Q1231 WeakPolarHBondContact O-CB 3.44Å; E1227-Q1231 WeakPolarHBondContact O-CG 3.3Å; E1227-Q1231 PolarHBondContact O-N 3.05Å; E1227-Q1231 PolarHBondContact OE1-NE2 3.08Å; E1227-S1250 PolarHBondContact OE2-OG 3.5Å
1228K77.1Confident71.6Confident173 Ų17368.9 Ų68.975%0.75237%0.366SS*.Hα-helixtrans-67-43178.3-73.3-174.1177.8-179.30112.2I1226 A1232I1226-K1228 VanDerWaalsContact C-N 3.27Å; I1226-K1228 PolarHBondContact O-N 3.23Å; K1228-A1232 WeakPolarHBondContact O-CB 3.41Å; K1228-A1232 PolarHBondContact O-N 2.93Å
1229Q73.4Confident71.6Confident48 Ų4867.1 Ų67.122%0.22437%0.365CS..Hα-helixtrans-66.4-41.4178.2-76.5169-29.100111.6S1225 I1226 A1232 S1233 Y1382S1225-Q1229 PolarHBondContact O-N 3.18Å; S1225-Q1229 PolarHBondContact OG-NE2 3.08Å; S1225-Q1229 PolarHBondContact OG-OE1 3.4Å; S1225-Q1229 VanDerWaalsContact OG-OE1 3.12Å; I1226-Q1229 PolarHBondContact O-N 2.87Å; I1226-Q1229 VanDerWaalsContact O-N 3.07Å; Q1229-A1232 WeakPolarHBondContact O-CB 3.42Å; Q1229-A1232 PolarHBondContact O-N 3.25Å; Q1229-S1233 WeakPolarHBondContact O-CB 3.3Å; Q1229-S1233 PolarHBondContact O-N 2.97Å; Q1229-S1233 PolarHBondContact O-OG 3.12Å; Q1229-S1233 VanDerWaalsContact O-OG 3.12Å; Q1229-Y1382 PolarHBondContact NE2-OH 3.42Å; Q1229-Y1382 PolarHBondContact OE1-OH 2.97Å
1230L76.6Confident71.7Confident0 Ų074 Ų740%039%0.388CS..Hα-helixtrans-67.5-44.1178.9-158.972.8000110.6I1226 A1232 S1233 I1234 V1244 A1246 I1249 V1377 T1381I1226-L1230 HydrophobicContact CG2-CB 4.26Å; I1226-L1230 HydrophobicContact CG2-CD2 4.35Å; I1226-L1230 WeakPolarHBondContact O-CB 3.46Å; I1226-L1230 PolarHBondContact O-N 3.08Å; L1230-A1232 VanDerWaalsContact C-N 3.33Å; L1230-A1232 PolarHBondContact O-N 3.45Å; L1230-S1233 PolarHBondContact O-N 3.37Å; L1230-I1234 HydrophobicContact CG-CD1 4.27Å; L1230-I1234 WeakPolarHBondContact O-CB 3.05Å; L1230-I1234 WeakPolarHBondContact O-CD1 3.4Å; L1230-I1234 WeakPolarHBondContact O-CG1 3.42Å; L1230-I1234 PolarHBondContact O-N 3.28Å; L1230-V1244 HydrophobicContact CD2-CG1 4.17Å; L1230-V1244 HydrophobicContact CG-CG1 4.41Å; L1230-A1246 HydrophobicContact CB-CB 4.01Å; L1230-A1246 HydrophobicContact CD2-CB 3.73Å; L1230-A1246 HydrophobicContact CG-CB 4.02Å; L1230-I1249 HydrophobicContact CD2-CB 3.89Å; L1230-I1249 HydrophobicContact CD2-CD1 4.19Å; L1230-I1249 HydrophobicContact CD2-CG2 3.91Å; L1230-V1377 HydrophobicContact CD1-CG1 3.81Å; L1230-T1381 HydrophobicContact CD1-CG2 3.3Å; L1230-T1381 HydrophobicContact CG-CG2 4.45Å
1231Q82.8Confident72.1Confident93 Ų9373.4 Ų73.444%0.43539%0.386SS..Hα-helixtrans-59.6-41.7172.1-771740.100112.1E1227 K1235 A1246E1227-Q1231 VanDerWaalsContact O-CB 3.31Å; E1227-Q1231 WeakPolarHBondContact O-CB 3.44Å; E1227-Q1231 WeakPolarHBondContact O-CG 3.3Å; E1227-Q1231 PolarHBondContact O-N 3.05Å; E1227-Q1231 PolarHBondContact OE1-NE2 3.08Å; Q1231-K1235 WeakPolarHBondContact O-CB 3.27Å; Q1231-K1235 PolarHBondContact O-N 3.14Å; Q1231-A1246 HydrophobicContact CG-CB 3.64Å
1232A78.4Confident72.4Confident50 Ų5071.2 Ų71.241%0.41338%0.38SS..Hα-helixtrans-63.6-44176.300000111.6K1228 Q1229 L1230 K1235 K1236K1228-A1232 WeakPolarHBondContact O-CB 3.41Å; K1228-A1232 PolarHBondContact O-N 2.93Å; Q1229-A1232 WeakPolarHBondContact O-CB 3.42Å; Q1229-A1232 PolarHBondContact O-N 3.25Å; L1230-A1232 VanDerWaalsContact C-N 3.33Å; L1230-A1232 PolarHBondContact O-N 3.45Å; A1232-K1235 PolarHBondContact O-N 3.11Å; A1232-K1236 WeakPolarHBondContact O-CB 3.42Å; A1232-K1236 PolarHBondContact O-N 3.11Å
1233S73.6Confident73.2Confident0 Ų072.3 Ų72.30%039%0.394CS..Hα-helixtrans-67.5-41.2177.8-67.30000112.5Q1229 L1230 K1235 K1236 H1237 T1381 S1384Q1229-S1233 WeakPolarHBondContact O-CB 3.3Å; Q1229-S1233 PolarHBondContact O-N 2.97Å; Q1229-S1233 PolarHBondContact O-OG 3.12Å; Q1229-S1233 VanDerWaalsContact O-OG 3.12Å; L1230-S1233 PolarHBondContact O-N 3.37Å; S1233-K1235 VanDerWaalsContact C-N 3.29Å; S1233-K1235 PolarHBondContact O-N 3.27Å; S1233-K1236 CarbonylContact O-C 3.53Å; S1233-K1236 PolarHBondContact O-N 2.74Å; S1233-H1237 PolarHBondContact O-N 3.29Å; S1233-T1381 VanDerWaalsContact CB-CG2 3.41Å; S1233-T1381 WeakPolarHBondContact OG-CB 3.24Å; S1233-S1384 PolarHBondContact OG-OG 2.65Å
1234I78.9Confident74.1Confident32 Ų3273.2 Ų73.216%0.16440%0.4CS..Hα-helixtrans-59.8-42174.7-69.6158.8000110.8L1230 K1236 P1238 L1241 V1244 A1246L1230-I1234 HydrophobicContact CG-CD1 4.27Å; L1230-I1234 WeakPolarHBondContact O-CB 3.05Å; L1230-I1234 WeakPolarHBondContact O-CD1 3.4Å; L1230-I1234 WeakPolarHBondContact O-CG1 3.42Å; L1230-I1234 PolarHBondContact O-N 3.28Å; I1234-K1236 VanDerWaalsContact C-N 3.27Å; I1234-K1236 PolarHBondContact O-N 2.74Å; I1234-P1238 WeakPolarHBondContact O-CA 2.85Å; I1234-L1241 HydrophobicContact CB-CB 4.38Å; I1234-L1241 HydrophobicContact CG1-CB 3.87Å; I1234-V1244 HydrophobicContact CD1-CB 4.01Å; I1234-V1244 HydrophobicContact CD1-CG1 3.91Å; I1234-V1244 WeakPolarHBondContact CD1-O 3.44Å; I1234-V1244 HydrophobicContact CG1-CB 4.08Å; I1234-V1244 HydrophobicContact CG1-CG1 4.32Å; I1234-A1246 HydrophobicContact CD1-CB 3.61Å
1235K79.2Confident75.1Confident184 Ų18472.4 Ų72.480%0.838%0.377SS*.Hα-helixtrans-65.8-32.4176.2-169.3-179.6179.8-175.90112.1Q1231 A1232 S1233Q1231-K1235 WeakPolarHBondContact O-CB 3.27Å; Q1231-K1235 PolarHBondContact O-N 3.14Å; A1232-K1235 PolarHBondContact O-N 3.11Å; S1233-K1235 VanDerWaalsContact C-N 3.29Å; S1233-K1235 PolarHBondContact O-N 3.27Å
1236K71.8Confident75.8Confident102 Ų10270 Ų7044%0.44336%0.361SS..Hα-helixtrans-82.5-33.1-177.8-161.9175.5-177.4177.20113.2A1232 S1233 I1234 P1238 A1388A1232-K1236 WeakPolarHBondContact O-CB 3.42Å; A1232-K1236 PolarHBondContact O-N 3.11Å; S1233-K1236 CarbonylContact O-C 3.53Å; S1233-K1236 PolarHBondContact O-N 2.74Å; I1234-K1236 VanDerWaalsContact C-N 3.27Å; I1234-K1236 PolarHBondContact O-N 2.74Å; K1236-P1238 VanDerWaalsContact C-CD 3.43Å; K1236-A1388 HydrophobicContact CD-CB 4.25Å; K1236-A1388 PolarHBondContact NZ-O 3.47Å
1237H69.6Low76.3Confident44 Ų4476.2 Ų76.220%0.20439%0.39CS..  trans-130.456.1-175.9-62.2-62.5000112.3S1233 E1239 Y1240 L1241S1233-H1237 PolarHBondContact O-N 3.29Å; H1237-E1239 IonicContact ND1-OE1 3.08Å; H1237-E1239 PolarHBondContact O-N 2.98Å; H1237-Y1240 HydrophobicContact CB-CD2 4.28Å; H1237-Y1240 PolarHBondContact O-N 2.97Å; H1237-Y1240 VanDerWaalsContact O-N 3.14Å; H1237-L1241 HydrophobicContact CB-CD1 4.32Å; H1237-L1241 WeakPolarHBondContact O-CB 3.29Å; H1237-L1241 PolarHBondContact O-N 3.45Å
1238P76Confident76.6Confident73 Ų7379.8 Ų79.847%0.47441%0.405SS..Hα-helixtrans-62.3-23.5-177.427.3-35.7000113.2I1234 K1236 Y1240 G1242I1234-P1238 WeakPolarHBondContact O-CA 2.85Å; K1236-P1238 VanDerWaalsContact C-CD 3.43Å; P1238-Y1240 VanDerWaalsContact C-N 3.34Å; P1238-G1242 WeakPolarHBondContact O-CA 3.19Å; P1238-G1242 PolarHBondContact O-N 2.99Å
1239E66.7Low76.7Confident123 Ų12372.3 Ų72.358%0.57537%0.372SS*.Hα-helixtrans-65.7-33.5175.667.4-75.4177.400113.1H1237H1237-E1239 IonicContact ND1-OE1 3.08Å; H1237-E1239 PolarHBondContact O-N 2.98Å
1240Y67.2Low77Confident183 Ų18370.7 Ų70.772%0.71837%0.366SS*.Hα-helixtrans-99.9-36.6178.3-58.9-67000112.4H1237 P1238H1237-Y1240 HydrophobicContact CB-CD2 4.28Å; H1237-Y1240 PolarHBondContact O-N 2.97Å; H1237-Y1240 VanDerWaalsContact O-N 3.14Å; P1238-Y1240 VanDerWaalsContact C-N 3.34Å
1241L75.8Confident77.1Confident23 Ų2373.8 Ų73.812%0.1239%0.392CS..Hα-helixtrans-1102.3-171.4-59.8177.1000113.2I1234 H1237 C1243 V1244 T1381I1234-L1241 HydrophobicContact CB-CB 4.38Å; I1234-L1241 HydrophobicContact CG1-CB 3.87Å; H1237-L1241 HydrophobicContact CB-CD1 4.32Å; H1237-L1241 WeakPolarHBondContact O-CB 3.29Å; H1237-L1241 PolarHBondContact O-N 3.45Å; L1241-C1243 PolarHBondContact O-N 3.37Å; L1241-C1243 VanDerWaalsContact O-N 3.08Å; L1241-V1244 HydrophobicContact CB-CB 4.49Å; L1241-V1244 HydrophobicContact CB-CG2 4.17Å; L1241-V1244 HydrophobicContact CD2-CG2 3.97Å; L1241-V1244 WeakPolarHBondContact O-CA 3.34Å; L1241-V1244 WeakPolarHBondContact O-CB 3.37Å; L1241-V1244 WeakPolarHBondContact O-CG2 3.39Å; L1241-V1244 PolarHBondContact O-N 3.48Å; L1241-T1381 HydrophobicContact CD1-CG2 4.05Å
1242G73.9Confident76.8Confident53 Ų5371.5 Ų71.555%0.54639%0.389SS..THydrogen-bonded Turntrans-63.5-17.3-176.400000115.1P1238P1238-G1242 WeakPolarHBondContact O-CA 3.19Å; P1238-G1242 PolarHBondContact O-N 2.99Å
1243C77Confident76.6Confident123 Ų12369.1 Ų69.183%0.83137%0.37SS*.THydrogen-bonded Turntrans-87.8-6.5171.867.40000113.9L1241L1241-C1243 PolarHBondContact O-N 3.37Å; L1241-C1243 VanDerWaalsContact O-N 3.08Å
1244V79.9Confident76.4Confident27 Ų2771.9 Ų71.916%0.16439%0.388CS..  trans-84.8124.8-175.1-178.50000109.9L1230 I1234 L1241 I1249 V1377L1230-V1244 HydrophobicContact CD2-CG1 4.17Å; L1230-V1244 HydrophobicContact CG-CG1 4.41Å; I1234-V1244 HydrophobicContact CD1-CB 4.01Å; I1234-V1244 HydrophobicContact CD1-CG1 3.91Å; I1234-V1244 WeakPolarHBondContact CD1-O 3.44Å; I1234-V1244 HydrophobicContact CG1-CB 4.08Å; I1234-V1244 HydrophobicContact CG1-CG1 4.32Å; L1241-V1244 HydrophobicContact CB-CB 4.49Å; L1241-V1244 HydrophobicContact CB-CG2 4.17Å; L1241-V1244 HydrophobicContact CD2-CG2 3.97Å; L1241-V1244 WeakPolarHBondContact O-CA 3.34Å; L1241-V1244 WeakPolarHBondContact O-CB 3.37Å; L1241-V1244 WeakPolarHBondContact O-CG2 3.39Å; L1241-V1244 PolarHBondContact O-N 3.48Å; V1244-I1249 HydrophobicContact CG1-CD1 3.46Å; V1244-I1249 VanDerWaalsContact CG1-CD1 3.46Å; V1244-I1249 HydrophobicContact CG1-CG1 4.49Å; V1244-V1377 HydrophobicContact CG1-CG1 4.12Å; V1244-V1377 HydrophobicContact CG2-CG1 4.41Å
1245D83.8Confident76.2Confident61 Ų6172.4 Ų72.433%0.32639%0.391SS..  trans-97.897.9174.5-174.6-31.9000108.9E1247 K1248 I1249D1245-E1247 VanDerWaalsContact C-N 3.28Å; D1245-E1247 PolarHBondContact O-N 3Å; D1245-E1247 PolarHBondContact OD1-N 3.3Å; D1245-K1248 HydrophobicContact CB-CB 4.12Å; D1245-K1248 HydrophobicContact CB-CD 4.26Å; D1245-K1248 HydrophobicContact CB-CG 4.31Å; D1245-K1248 PolarHBondContact O-N 3.46Å; D1245-K1248 PolarHBondContact OD1-N 3.05Å; D1245-K1248 VanDerWaalsContact OD1-N 3.14Å; D1245-K1248 VanDerWaalsContact OD2-CD 3.29Å; D1245-K1248 WeakPolarHBondContact OD2-CD 3.16Å; D1245-K1248 VanDerWaalsContact OD2-CE 3.3Å; D1245-K1248 WeakPolarHBondContact OD2-CE 3.41Å; D1245-K1248 WeakPolarHBondContact OD2-CG 3.17Å; D1245-K1248 IonicContact OD2-NZ 3.9Å; D1245-K1248 PolarHBondContact OD2-NZ 2.8Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.09Å; D1245-I1249 PolarHBondContact O-N 3Å
1246A82.1Confident75.8Confident7 Ų767.7 Ų67.76%0.05837%0.371CS..Hα-helixtrans-62.1-34.9-172.200000114L1230 Q1231 I1234 S1250L1230-A1246 HydrophobicContact CB-CB 4.01Å; L1230-A1246 HydrophobicContact CD2-CB 3.73Å; L1230-A1246 HydrophobicContact CG-CB 4.02Å; Q1231-A1246 HydrophobicContact CG-CB 3.64Å; I1234-A1246 HydrophobicContact CD1-CB 3.61Å; A1246-S1250 VanDerWaalsContact O-CB 3.25Å; A1246-S1250 WeakPolarHBondContact O-CB 3.4Å; A1246-S1250 PolarHBondContact O-N 2.88Å
1247E82.8Confident75.8Confident132 Ų13268.2 Ų68.262%0.61738%0.383SS*.Hα-helixtrans-66.8-46179-170.4-177.7169.500110.1D1245 I1249 S1250 A1251D1245-E1247 VanDerWaalsContact C-N 3.28Å; D1245-E1247 PolarHBondContact O-N 3Å; D1245-E1247 PolarHBondContact OD1-N 3.3Å; E1247-I1249 PolarHBondContact O-N 2.9Å; E1247-S1250 PolarHBondContact O-N 3.04Å; E1247-A1251 VanDerWaalsContact O-CB 3.28Å; E1247-A1251 WeakPolarHBondContact O-CB 3.33Å; E1247-A1251 PolarHBondContact O-N 3.27Å
1248K81.7Confident76Confident145 Ų14573 Ų7363%0.6340%0.403SS*.Hα-helixtrans-63.6-39.8176.6-72.8-173.5-173.9120.20113.1D1245 A1252D1245-K1248 HydrophobicContact CB-CB 4.12Å; D1245-K1248 HydrophobicContact CB-CD 4.26Å; D1245-K1248 HydrophobicContact CB-CG 4.31Å; D1245-K1248 PolarHBondContact O-N 3.46Å; D1245-K1248 PolarHBondContact OD1-N 3.05Å; D1245-K1248 VanDerWaalsContact OD1-N 3.14Å; D1245-K1248 VanDerWaalsContact OD2-CD 3.29Å; D1245-K1248 WeakPolarHBondContact OD2-CD 3.16Å; D1245-K1248 VanDerWaalsContact OD2-CE 3.3Å; D1245-K1248 WeakPolarHBondContact OD2-CE 3.41Å; D1245-K1248 WeakPolarHBondContact OD2-CG 3.17Å; D1245-K1248 IonicContact OD2-NZ 3.9Å; D1245-K1248 PolarHBondContact OD2-NZ 2.8Å; K1248-A1252 WeakPolarHBondContact O-CB 3.26Å; K1248-A1252 PolarHBondContact O-N 3.1Å
1249I80.7Confident75.6Confident15 Ų1570.7 Ų70.78%0.07739%0.387CS..Hα-helixtrans-67.4-46178.1-66.3-169.3000110.8L1230 V1244 D1245 E1247 A1251 A1252 L1253 L1374 V1377 V1378L1230-I1249 HydrophobicContact CD2-CB 3.89Å; L1230-I1249 HydrophobicContact CD2-CD1 4.19Å; L1230-I1249 HydrophobicContact CD2-CG2 3.91Å; V1244-I1249 HydrophobicContact CG1-CD1 3.46Å; V1244-I1249 VanDerWaalsContact CG1-CD1 3.46Å; V1244-I1249 HydrophobicContact CG1-CG1 4.49Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.09Å; D1245-I1249 PolarHBondContact O-N 3Å; E1247-I1249 PolarHBondContact O-N 2.9Å; I1249-A1251 VanDerWaalsContact C-N 3.34Å; I1249-A1251 PolarHBondContact O-N 2.97Å; I1249-A1252 PolarHBondContact O-N 2.8Å; I1249-L1253 HydrophobicContact CG2-CD1 3.77Å; I1249-L1253 HydrophobicContact CG2-CG 4.37Å; I1249-L1253 PolarHBondContact O-N 3.16Å; I1249-L1374 HydrophobicContact CD1-CD2 3.82Å; I1249-L1374 HydrophobicContact CG1-CD2 3.85Å; I1249-L1374 HydrophobicContact CG2-CB 4.48Å; I1249-L1374 HydrophobicContact CG2-CD2 4.46Å; I1249-V1377 HydrophobicContact CD1-CG1 4.17Å; I1249-V1378 HydrophobicContact CG2-CG2 4.33Å
1250S78.8Confident75.8Confident14 Ų1467 Ų6710%0.09837%0.371CS..Hα-helixtrans-57-48.6174.7178.80000110.9E1227 A1246 E1247 A1252 L1253 C1254E1227-S1250 PolarHBondContact OE2-OG 3.5Å; A1246-S1250 VanDerWaalsContact O-CB 3.25Å; A1246-S1250 WeakPolarHBondContact O-CB 3.4Å; A1246-S1250 PolarHBondContact O-N 2.88Å; E1247-S1250 PolarHBondContact O-N 3.04Å; S1250-A1252 VanDerWaalsContact C-N 3.29Å; S1250-A1252 PolarHBondContact O-N 3.36Å; S1250-L1253 PolarHBondContact O-N 3.5Å; S1250-C1254 WeakPolarHBondContact O-CB 3.33Å; S1250-C1254 PolarHBondContact O-N 3.05Å; S1250-C1254 PolarHBondContact O-SG 2.7Å; S1250-C1254 VanDerWaalsContact O-SG 3.39Å
1251A79.5Confident76.1Confident65 Ų6561.1 Ų61.154%0.53736%0.36SS..Hα-helixtrans-62.4-34.3178.300000113.1E1247 I1249E1247-A1251 VanDerWaalsContact O-CB 3.28Å; E1247-A1251 WeakPolarHBondContact O-CB 3.33Å; E1247-A1251 PolarHBondContact O-N 3.27Å; I1249-A1251 VanDerWaalsContact C-N 3.34Å; I1249-A1251 PolarHBondContact O-N 2.97Å
1252A75Confident75.9Confident46 Ų4661.7 Ų61.738%0.3837%0.368SS..Hα-helixtrans-74.3-41177.900000112.9K1248 I1249 S1250 L1374K1248-A1252 WeakPolarHBondContact O-CB 3.26Å; K1248-A1252 PolarHBondContact O-N 3.1Å; I1249-A1252 PolarHBondContact O-N 2.8Å; S1250-A1252 VanDerWaalsContact C-N 3.29Å; S1250-A1252 PolarHBondContact O-N 3.36Å; A1252-L1374 HydrophobicContact CB-CD1 3.96Å
1253L74.2Confident75.6Confident0 Ų061.3 Ų61.30%035%0.353CS..Hα-helixtrans-84.5-33.6-176.5-70.6176000113.5F1220 I1226 I1249 S1250 L1374 V1378F1220-L1253 WeakPolarHBondContact CE1-O 3.16Å; I1226-L1253 HydrophobicContact CD1-CD1 4.44Å; I1249-L1253 HydrophobicContact CG2-CD1 3.77Å; I1249-L1253 HydrophobicContact CG2-CG 4.37Å; I1249-L1253 PolarHBondContact O-N 3.16Å; S1250-L1253 PolarHBondContact O-N 3.5Å; L1253-L1374 HydrophobicContact CD1-CB 4.18Å; L1253-L1374 HydrophobicContact CD2-CB 4.01Å; L1253-L1374 HydrophobicContact CG-CB 4.2Å; L1253-V1378 HydrophobicContact CD1-CG2 3.56Å
1254C70.8Confident75.5Confident57 Ų5758.9 Ų58.939%0.38533%0.334SS..SBendtrans-86.5-4.3-174-64.20000113.8S1250 K1256S1250-C1254 WeakPolarHBondContact O-CB 3.33Å; S1250-C1254 PolarHBondContact O-N 3.05Å; S1250-C1254 PolarHBondContact O-SG 2.7Å; S1250-C1254 VanDerWaalsContact O-SG 3.39Å; C1254-K1256 PolarHBondContact O-N 3.25Å
1255D74.6Confident75.2Confident43 Ų4360 Ų6023%0.2335%0.347CS..  trans-77.675.8175.4-164.2-24.1000110.5T1257 K1258 T1259D1255-T1257 PolarHBondContact O-N 2.8Å; D1255-T1257 PolarHBondContact OD1-N 2.78Å; D1255-K1258 HydrophobicContact CB-CB 4.22Å; D1255-K1258 PolarHBondContact O-N 3.01Å; D1255-K1258 PolarHBondContact OD1-N 2.96Å; D1255-K1258 WeakPolarHBondContact OD2-CD 3.4Å; D1255-K1258 WeakPolarHBondContact OD2-CE 3.43Å; D1255-K1258 VanDerWaalsContact OD2-CG 3.23Å; D1255-K1258 WeakPolarHBondContact OD2-CG 3.29Å; D1255-K1258 IonicContact OD2-NZ 2.68Å; D1255-K1258 PolarHBondContact OD2-NZ 3.03Å; D1255-K1258 VanDerWaalsContact OD2-NZ 3.11Å; D1255-T1259 PolarHBondContact O-N 3.28Å; D1255-T1259 PolarHBondContact O-OG1 3.43Å
1256K69.3Low74.6Confident86 Ų8660.3 Ų60.337%0.37434%0.344SS..Hα-helixtrans-52.4-37.1176.7-177.2173-176.4174.90111.5D1217 F1220 C1254 T1259 I1260D1217-K1256 VanDerWaalsContact OD1-CE 3.25Å; D1217-K1256 WeakPolarHBondContact OD1-CE 3.44Å; D1217-K1256 IonicContact OD1-NZ 3.17Å; D1217-K1256 PolarHBondContact OD1-NZ 3.32Å; F1220-K1256 HydrophobicContact CD1-CB 4.49Å; F1220-K1256 HydrophobicContact CD2-CD 4.21Å; F1220-K1256 HydrophobicContact CD2-CG 4.07Å; F1220-K1256 HydrophobicContact CE1-CB 4.15Å; F1220-K1256 HydrophobicContact CE2-CB 4.32Å; F1220-K1256 HydrophobicContact CE2-CD 4.48Å; F1220-K1256 HydrophobicContact CE2-CG 3.85Å; F1220-K1256 HydrophobicContact CZ-CB 4.08Å; F1220-K1256 HydrophobicContact CZ-CG 4.11Å; C1254-K1256 PolarHBondContact O-N 3.25Å; K1256-T1259 PolarHBondContact O-N 3.39Å; K1256-I1260 HydrophobicContact CD-CD1 4.37Å; K1256-I1260 HydrophobicContact CG-CD1 3.69Å; K1256-I1260 HydrophobicContact CG-CG1 4.36Å; K1256-I1260 WeakPolarHBondContact O-CB 3.37Å; K1256-I1260 VanDerWaalsContact O-CG1 3.22Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.47Å; K1256-I1260 PolarHBondContact O-N 2.96Å
1257T73.6Confident74.1Confident113 Ų11365.3 Ų65.369%0.69336%0.364SS*.Hα-helixtrans-66.3-48.8-179.2-50.40000111.8D1255 A1261D1255-T1257 PolarHBondContact O-N 2.8Å; D1255-T1257 PolarHBondContact OD1-N 2.78Å; T1257-A1261 VanDerWaalsContact O-CB 3.27Å; T1257-A1261 WeakPolarHBondContact O-CB 3.36Å; T1257-A1261 PolarHBondContact O-N 3.47Å
1258K72.9Confident73.7Confident144 Ų14467.3 Ų67.363%0.62637%0.371SS*.Hα-helixtrans-66.4-37.9176.1-77.2-176.1-163.8148.70112.5D1255 A1261 A1262D1255-K1258 HydrophobicContact CB-CB 4.22Å; D1255-K1258 PolarHBondContact O-N 3.01Å; D1255-K1258 PolarHBondContact OD1-N 2.96Å; D1255-K1258 WeakPolarHBondContact OD2-CD 3.4Å; D1255-K1258 WeakPolarHBondContact OD2-CE 3.43Å; D1255-K1258 VanDerWaalsContact OD2-CG 3.23Å; D1255-K1258 WeakPolarHBondContact OD2-CG 3.29Å; D1255-K1258 IonicContact OD2-NZ 2.68Å; D1255-K1258 PolarHBondContact OD2-NZ 3.03Å; D1255-K1258 VanDerWaalsContact OD2-NZ 3.11Å; K1258-A1261 PolarHBondContact O-N 2.92Å; K1258-A1262 WeakPolarHBondContact O-CB 3.32Å; K1258-A1262 PolarHBondContact O-N 3.43Å
1259T68Low73.3Confident24 Ų2463 Ų6315%0.14736%0.356CS..Hα-helixtrans-62.9-49.7178.3-54.30000110.5F1220 D1255 K1256 A1261 A1262 M1263F1220-T1259 HydrophobicContact CZ-CG2 3.95Å; D1255-T1259 PolarHBondContact O-N 3.28Å; D1255-T1259 PolarHBondContact O-OG1 3.43Å; K1256-T1259 PolarHBondContact O-N 3.39Å; T1259-A1261 VanDerWaalsContact C-N 3.32Å; T1259-A1261 PolarHBondContact O-N 3.31Å; T1259-A1262 PolarHBondContact O-N 2.93Å; T1259-M1263 HydrophobicContact CG2-SD 4.08Å; T1259-M1263 WeakPolarHBondContact O-CB 3.43Å; T1259-M1263 WeakPolarHBondContact O-CG 3.48Å; T1259-M1263 PolarHBondContact O-N 3.03Å
1260I70.8Confident73.1Confident47 Ų4762.7 Ų62.724%0.24136%0.355CS..Hα-helixtrans-61.3-40.5175.1-68.7171.1000111.2L1213 K1256 M1263 T1264L1213-I1260 HydrophobicContact CD2-CD1 4.13Å; L1213-I1260 HydrophobicContact CD2-CG1 4.29Å; K1256-I1260 HydrophobicContact CD-CD1 4.37Å; K1256-I1260 HydrophobicContact CG-CD1 3.69Å; K1256-I1260 HydrophobicContact CG-CG1 4.36Å; K1256-I1260 WeakPolarHBondContact O-CB 3.37Å; K1256-I1260 VanDerWaalsContact O-CG1 3.22Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.47Å; K1256-I1260 PolarHBondContact O-N 2.96Å; I1260-M1263 PolarHBondContact O-N 3.2Å; I1260-T1264 VanDerWaalsContact O-CB 3.29Å; I1260-T1264 WeakPolarHBondContact O-CB 3.44Å; I1260-T1264 PolarHBondContact O-N 3.09Å; I1260-T1264 PolarHBondContact O-OG1 3.31Å
1261A73.4Confident73.1Confident58 Ų5865.4 Ų65.448%0.47937%0.372SS..Hα-helixtrans-64.5-43177.600000112.3T1257 K1258 T1259 T1264 A1265T1257-A1261 VanDerWaalsContact O-CB 3.27Å; T1257-A1261 WeakPolarHBondContact O-CB 3.36Å; T1257-A1261 PolarHBondContact O-N 3.47Å; K1258-A1261 PolarHBondContact O-N 2.92Å; T1259-A1261 VanDerWaalsContact C-N 3.32Å; T1259-A1261 PolarHBondContact O-N 3.31Å; A1261-T1264 PolarHBondContact O-N 3.35Å; A1261-A1265 WeakPolarHBondContact O-CB 3.4Å; A1261-A1265 PolarHBondContact O-N 3.07Å
1262A70.8Confident73.5Confident36 Ų3662.9 Ų62.930%0.29835%0.35SS..Hα-helixtrans-64-47.8175.600000110.9K1258 T1259 T1264 A1265 Y1266K1258-A1262 WeakPolarHBondContact O-CB 3.32Å; K1258-A1262 PolarHBondContact O-N 3.43Å; T1259-A1262 PolarHBondContact O-N 2.93Å; A1262-T1264 VanDerWaalsContact C-N 3.34Å; A1262-T1264 PolarHBondContact O-N 3.38Å; A1262-A1265 WeakPolarHBondContact O-CB 3.44Å; A1262-A1265 PolarHBondContact O-N 2.72Å; A1262-A1265 VanDerWaalsContact O-N 3.16Å; A1262-Y1266 HydrophobicContact CB-CE2 3.99Å; A1262-Y1266 WeakPolarHBondContact O-CD2 3.49Å; A1262-Y1266 VanDerWaalsContact O-CG 3.24Å; A1262-Y1266 PolarHBondContact O-N 3.35Å
1263M69.1Low74.3Confident44 Ų4460.7 Ų60.722%0.21733%0.332CS..Hα-helixtrans-55.5-47.1174.2-73.5174.314000112M1212 A1216 T1259 I1260 A1265 Y1266 K1267M1212-M1263 HydrophobicContact CE-CE 4.42Å; M1212-M1263 HydrophobicContact CG-CE 3.42Å; M1212-M1263 VanDerWaalsContact CG-CE 3.42Å; M1212-M1263 HydrophobicContact CG-SD 4.04Å; M1212-M1263 HydrophobicContact SD-CB 3.75Å; M1212-M1263 HydrophobicContact SD-CE 3.51Å; M1212-M1263 VanDerWaalsContact SD-CE 3.51Å; M1212-M1263 HydrophobicContact SD-CG 3.63Å; M1212-M1263 HydrophobicContact SD-SD 3.77Å; A1216-M1263 HydrophobicContact CB-CE 4.3Å; T1259-M1263 HydrophobicContact CG2-SD 4.08Å; T1259-M1263 WeakPolarHBondContact O-CB 3.43Å; T1259-M1263 WeakPolarHBondContact O-CG 3.48Å; T1259-M1263 PolarHBondContact O-N 3.03Å; I1260-M1263 PolarHBondContact O-N 3.2Å; M1263-A1265 VanDerWaalsContact C-N 3.33Å; M1263-A1265 PolarHBondContact O-N 2.77Å; M1263-Y1266 PolarHBondContact O-N 2.83Å; M1263-K1267 WeakPolarHBondContact O-CB 3.48Å; M1263-K1267 PolarHBondContact O-N 3.12Å
1264T73.1Confident75.2Confident72 Ų7261.6 Ų61.644%0.44234%0.336SS..Hα-helixtrans-65.3-36.1178.4-56.20000112I1260 A1261 A1262I1260-T1264 VanDerWaalsContact O-CB 3.29Å; I1260-T1264 WeakPolarHBondContact O-CB 3.44Å; I1260-T1264 PolarHBondContact O-N 3.09Å; I1260-T1264 PolarHBondContact O-OG1 3.31Å; A1261-T1264 PolarHBondContact O-N 3.35Å; A1262-T1264 VanDerWaalsContact C-N 3.34Å; A1262-T1264 PolarHBondContact O-N 3.38Å
1265A74.1Confident76.1Confident51 Ų5158.9 Ų58.942%0.42132%0.318SS..Hα-helixtrans-68.1-42175.200000111.5A1261 A1262 M1263 K1268A1261-A1265 WeakPolarHBondContact O-CB 3.4Å; A1261-A1265 PolarHBondContact O-N 3.07Å; A1262-A1265 WeakPolarHBondContact O-CB 3.44Å; A1262-A1265 PolarHBondContact O-N 2.72Å; A1262-A1265 VanDerWaalsContact O-N 3.16Å; M1263-A1265 VanDerWaalsContact C-N 3.33Å; M1263-A1265 PolarHBondContact O-N 2.77Å; A1265-K1268 WeakPolarHBondContact O-CB 3.44Å; A1265-K1268 PolarHBondContact O-N 3.21Å
1266Y71.5Confident77.1Confident68 Ų6856.9 Ų56.927%0.26731%0.307SS..Hα-helixtrans-65.7-41.5177.9-63.3-42.7000112.8A1262 M1263 K1268 V1269 V1270 I1364 N1367A1262-Y1266 HydrophobicContact CB-CE2 3.99Å; A1262-Y1266 WeakPolarHBondContact O-CD2 3.49Å; A1262-Y1266 VanDerWaalsContact O-CG 3.24Å; A1262-Y1266 PolarHBondContact O-N 3.35Å; M1263-Y1266 PolarHBondContact O-N 2.83Å; Y1266-K1268 PolarHBondContact O-N 3.22Å; Y1266-K1268 VanDerWaalsContact O-N 3.12Å; Y1266-V1269 WeakPolarHBondContact O-CA 3.4Å; Y1266-V1269 WeakPolarHBondContact O-CB 3.34Å; Y1266-V1269 PolarHBondContact O-N 3.31Å; Y1266-V1270 PolarHBondContact O-N 2.84Å; Y1266-V1270 VanDerWaalsContact O-N 3.16Å; Y1266-I1364 HydrophobicContact CD1-CB 4.45Å; Y1266-I1364 HydrophobicContact CD1-CD1 3.77Å; Y1266-I1364 HydrophobicContact CD1-CG1 3.67Å; Y1266-I1364 HydrophobicContact CD1-CG2 4.03Å; Y1266-I1364 HydrophobicContact CD2-CG2 4.47Å; Y1266-I1364 HydrophobicContact CE1-CB 4.25Å; Y1266-I1364 HydrophobicContact CE1-CD1 4.18Å; Y1266-I1364 HydrophobicContact CE1-CG1 3.55Å; Y1266-I1364 HydrophobicContact CE1-CG2 4.08Å; Y1266-I1364 HydrophobicContact CE2-CG2 4.49Å; Y1266-I1364 HydrophobicContact CG-CG2 4.25Å; Y1266-N1367 PolarHBondContact OH-ND2 2.83Å
1267K72.6Confident77.9Confident111 Ų11153 Ų5348%0.48329%0.292SS..Hα-helixtrans-59.8-22.1176.8-175.7165179.9157.70113.7M1263 V1269 D1272M1263-K1267 WeakPolarHBondContact O-CB 3.48Å; M1263-K1267 PolarHBondContact O-N 3.12Å; K1267-V1269 VanDerWaalsContact C-N 3.32Å; K1267-D1272 WeakPolarHBondContact CD-OD1 3.3Å; K1267-D1272 VanDerWaalsContact CE-OD2 3.24Å; K1267-D1272 WeakPolarHBondContact CE-OD2 3.3Å; K1267-D1272 IonicContact NZ-OD1 2.7Å; K1267-D1272 IonicContact NZ-OD2 2.68Å; K1267-D1272 PolarHBondContact NZ-OD2 2.85Å
1268K74.3Confident78.5Confident175 Ų17549.5 Ų49.576%0.76127%0.269SS*.THydrogen-bonded Turntrans-76.6-18.9172.6-68.2176-179.3178.80113.4A1265 Y1266A1265-K1268 WeakPolarHBondContact O-CB 3.44Å; A1265-K1268 PolarHBondContact O-N 3.21Å; Y1266-K1268 PolarHBondContact O-N 3.22Å; Y1266-K1268 VanDerWaalsContact O-N 3.12Å
1269V73Confident79.5Confident54 Ų5442.8 Ų42.833%0.32724%0.24SC..THydrogen-bonded Turntrans-95.9-45.5-175-177.20000110.7Y1266 K1267 V1356 I1360Y1266-V1269 WeakPolarHBondContact O-CA 3.4Å; Y1266-V1269 WeakPolarHBondContact O-CB 3.34Å; Y1266-V1269 PolarHBondContact O-N 3.31Å; K1267-V1269 VanDerWaalsContact C-N 3.32Å; V1269-V1356 HydrophobicContact CG1-CB 4.43Å; V1269-V1356 HydrophobicContact CG1-CG1 4.1Å; V1269-V1356 HydrophobicContact CG1-CG2 3.51Å; V1269-V1356 WeakPolarHBondContact O-CG2 3.39Å; V1269-I1360 HydrophobicContact CG1-CG2 4.41Å
1270V75.7Confident80.5Confident9 Ų944.4 Ų44.46%0.05524%0.243CC..SBendtrans-131.9133174.5-174.60000108.8F1199 Y1266 F1313 M1353 V1356F1199-V1270 HydrophobicContact CZ-CG1 3.93Å; Y1266-V1270 PolarHBondContact O-N 2.84Å; Y1266-V1270 VanDerWaalsContact O-N 3.16Å; V1270-F1313 HydrophobicContact CB-CD1 3.94Å; V1270-F1313 HydrophobicContact CB-CE1 4.26Å; V1270-F1313 HydrophobicContact CG1-CD1 4Å; V1270-F1313 HydrophobicContact CG2-CD1 3.88Å; V1270-F1313 HydrophobicContact CG2-CE1 3.79Å; V1270-M1353 HydrophobicContact CG1-SD 4.2Å; V1270-M1353 HydrophobicContact CG2-SD 4.33Å; V1270-V1356 HydrophobicContact CG2-CG2 3.65Å
1271P79.9Confident81.3Confident70 Ų7042.3 Ų42.346%0.45523%0.233SC..  trans-64.1154.5173.3-15.828.5000112.3F1199F1199-P1271 HydrophobicContact CE1-CB 4.18Å; F1199-P1271 HydrophobicContact CE1-CG 4.37Å
1272D87.1Confident81.8Confident12 Ų1242.6 Ų42.66%0.06423%0.226CC..  trans-59.4138.2-179.6-59-13.5000112.2R1206 K1267 Q1310 G1311R1206-D1272 PolarHBondContact NH2-O 3.16Å; R1206-D1272 VanDerWaalsContact NH2-O 3.17Å; K1267-D1272 WeakPolarHBondContact CD-OD1 3.3Å; K1267-D1272 VanDerWaalsContact CE-OD2 3.24Å; K1267-D1272 WeakPolarHBondContact CE-OD2 3.3Å; K1267-D1272 IonicContact NZ-OD1 2.7Å; K1267-D1272 IonicContact NZ-OD2 2.68Å; K1267-D1272 PolarHBondContact NZ-OD2 2.85Å; D1272-Q1310 HydrophobicContact CB-CB 4.17Å; D1272-G1311 WeakPolarHBondContact CA-O 3.45Å
1273V91Very high82.7Confident0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-109.5165174.3-61.50000110.6Q1195 S1198 F1199 W1205 V1275 G1311 F1313Q1195-V1273 HydrophobicContact CB-CB 4.18Å; Q1195-V1273 HydrophobicContact CB-CG1 4.14Å; Q1195-V1273 HydrophobicContact CB-CG2 4.48Å; Q1195-V1273 HydrophobicContact CG-CB 3.99Å; Q1195-V1273 HydrophobicContact CG-CG1 4.4Å; Q1195-V1273 HydrophobicContact CG-CG2 3.84Å; S1198-V1273 WeakPolarHBondContact OG-CB 3.42Å; F1199-V1273 HydrophobicContact CD2-CG1 4.35Å; F1199-V1273 HydrophobicContact CE1-CG1 3.88Å; F1199-V1273 HydrophobicContact CE2-CG1 3.5Å; F1199-V1273 VanDerWaalsContact CE2-CG1 3.5Å; F1199-V1273 HydrophobicContact CZ-CG1 3.21Å; W1205-V1273 WeakPolarHBondContact CH2-O 3.33Å; V1273-V1275 HydrophobicContact CG2-CG2 4.07Å; V1273-V1275 PolarHBondContact O-N 2.71Å; V1273-G1311 PolarHBondContact N-O 2.9Å; V1273-G1311 PolarHBondContact O-N 2.88Å; V1273-F1313 HydrophobicContact CG1-CB 4.49Å; V1273-F1313 HydrophobicContact CG2-CB 4.21Å
1274L92.8Very high83.9Confident19 Ų1939.3 Ų39.310%0.09920%0.204CC..EExtended strand (participates in β ladder)trans-75117.9171.2-179.362000108.7L1194 W1197 W1205 V1209 C1308L1194-L1274 HydrophobicContact CD1-CD2 4.23Å; W1197-L1274 HydrophobicContact CZ3-CD2 4Å; W1205-L1274 HydrophobicContact CD2-CB 4.26Å; W1205-L1274 HydrophobicContact CE3-CB 3.93Å; W1205-L1274 HydrophobicContact CE3-CD1 3.86Å; W1205-L1274 HydrophobicContact CE3-CG 4.41Å; W1205-L1274 HydrophobicContact CH2-CB 4.13Å; W1205-L1274 HydrophobicContact CZ2-CB 4.38Å; W1205-L1274 HydrophobicContact CZ3-CB 3.84Å; W1205-L1274 HydrophobicContact CZ3-CD1 4.04Å; V1209-L1274 HydrophobicContact CG1-CD1 4.12Å; V1209-L1274 HydrophobicContact CG2-CD1 4.01Å; L1274-C1308 HydrophobicContact CD1-CB 4.37Å
1275V91.6Very high84.7Confident0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-103132.6179.6176.70000108.1V1273 G1277 C1308 H1309 E1315 D1316V1273-V1275 HydrophobicContact CG2-CG2 4.07Å; V1273-V1275 PolarHBondContact O-N 2.71Å; V1275-G1277 VanDerWaalsContact C-N 3.29Å; V1275-C1308 WeakPolarHBondContact O-CA 3.35Å; V1275-C1308 WeakPolarHBondContact O-CB 3.46Å; V1275-H1309 PolarHBondContact N-O 2.91Å; V1275-H1309 PolarHBondContact O-N 3.5Å; V1275-H1309 VanDerWaalsContact O-N 3.14Å; V1275-E1315 HydrophobicContact CG1-CB 3.8Å; V1275-E1315 HydrophobicContact CG2-CB 4.42Å; V1275-D1316 WeakPolarHBondContact CA-OD2 3.38Å; V1275-D1316 VanDerWaalsContact CG1-OD1 3.27Å; V1275-D1316 WeakPolarHBondContact CG1-OD1 3.35Å
1276H93.9Very high85.6Confident1 Ų134.8 Ų34.81%0.00517%0.171CC..  trans-61.9-41.4174.8178.3-81.4000110.7D1278 F1279 I1303 D1304 W1305 V1307 C1308 D1316H1276-D1278 VanDerWaalsContact C-N 3.3Å; H1276-D1278 PolarHBondContact CE1-O 2.64Å; H1276-D1278 VanDerWaalsContact CE1-O 3.24Å; H1276-D1278 PolarHBondContact ND1-N 3.34Å; H1276-D1278 PolarHBondContact ND1-O 3.11Å; H1276-D1278 PolarHBondContact O-N 3.09Å; H1276-F1279 HydrophobicContact CB-CB 4.2Å; H1276-F1279 HydrophobicContact CB-CD2 4.26Å; H1276-F1279 PolarHBondContact ND1-N 3.46Å; H1276-I1303 PolarHBondContact CE1-O 3.14Å; H1276-I1303 PolarHBondContact NE2-O 3.32Å; H1276-D1304 PolarHBondContact CE1-O 2.85Å; H1276-W1305 HydrophobicContact CB-CE3 4.39Å; H1276-W1305 HydrophobicContact CB-CZ3 4.13Å; H1276-W1305 AromaticContact CD2-CD2 3.44Å; H1276-W1305 VanDerWaalsContact CD2-CD2 3.44Å; H1276-W1305 AromaticContact CD2-CE2 3.53Å; H1276-W1305 AromaticContact CD2-CE3 3.55Å; H1276-W1305 AromaticContact CD2-CH2 3.89Å; H1276-W1305 AromaticContact CD2-CZ2 3.77Å; H1276-W1305 AromaticContact CD2-CZ3 3.78Å; H1276-W1305 AromaticContact NE2-CD2 3.88Å; H1276-W1305 AromaticContact NE2-CE2 3.95Å; H1276-W1305 AromaticContact NE2-CG 3.99Å; H1276-V1307 CarbonylContact O-C 3.47Å; H1276-C1308 WeakPolarHBondContact O-CA 3.44Å; H1276-C1308 PolarHBondContact O-N 3.11Å; H1276-D1316 WeakPolarHBondContact CB-OD1 3.47Å; H1276-D1316 PolarHBondContact N-OD1 3.1Å; H1276-D1316 PolarHBondContact N-OD2 3.42Å
1277G86.1Confident86.5Confident5 Ų535.4 Ų35.45%0.05218%0.176CC..SBendtrans93.7-36170.300000113V1275 V1307 D1316 R1319V1275-G1277 VanDerWaalsContact C-N 3.29Å; G1277-V1307 VanDerWaalsContact C-CG2 3.42Å; G1277-D1316 PolarHBondContact N-OD1 2.78Å; G1277-R1319 WeakPolarHBondContact O-CD 3.1Å; G1277-R1319 PolarHBondContact O-NH1 3.19Å
1278D87.3Confident87.2Confident39 Ų3931.6 Ų31.621%0.20916%0.162CC..  trans-123.355.4171.5-162.131.3000111.8H1276 W1280 N1283 V1307H1276-D1278 VanDerWaalsContact C-N 3.3Å; H1276-D1278 PolarHBondContact CE1-O 2.64Å; H1276-D1278 VanDerWaalsContact CE1-O 3.24Å; H1276-D1278 PolarHBondContact ND1-N 3.34Å; H1276-D1278 PolarHBondContact ND1-O 3.11Å; H1276-D1278 PolarHBondContact O-N 3.09Å; D1278-W1280 VanDerWaalsContact O-CD1 3.3Å; D1278-W1280 PolarHBondContact O-N 2.9Å; D1278-W1280 PolarHBondContact OD2-NE1 2.74Å; D1278-N1283 PolarHBondContact O-ND2 2.81Å; D1278-N1283 PolarHBondContact OD2-ND2 3.28Å; D1278-V1307 HydrophobicContact CB-CG2 3.53Å
1279F92.6Very high87.2Confident3 Ų326.5 Ų26.51%0.01314%0.143CC..  trans-85.894.3-177-161.6-109.6000111.4C1187 V1191 H1276 I1284 I1302 D1316 L1320C1187-F1279 HydrophobicContact CB-CE1 4.08Å; C1187-F1279 HydrophobicContact CB-CZ 4.26Å; V1191-F1279 HydrophobicContact CG2-CD1 3.93Å; V1191-F1279 HydrophobicContact CG2-CE1 3.43Å; V1191-F1279 VanDerWaalsContact CG2-CE1 3.43Å; V1191-F1279 HydrophobicContact CG2-CE2 4.36Å; V1191-F1279 HydrophobicContact CG2-CZ 3.69Å; H1276-F1279 HydrophobicContact CB-CB 4.2Å; H1276-F1279 HydrophobicContact CB-CD2 4.26Å; H1276-F1279 PolarHBondContact ND1-N 3.46Å; F1279-I1284 HydrophobicContact CD1-CD1 4.44Å; F1279-I1284 HydrophobicContact CD2-CD1 4.43Å; F1279-I1284 HydrophobicContact CE1-CD1 3.95Å; F1279-I1284 HydrophobicContact CE2-CD1 3.92Å; F1279-I1284 HydrophobicContact CE2-CG1 4.03Å; F1279-I1284 HydrophobicContact CZ-CD1 3.67Å; F1279-I1284 HydrophobicContact CZ-CG1 4.23Å; F1279-I1302 HydrophobicContact CD2-CG2 4.11Å; F1279-I1302 HydrophobicContact CE2-CD1 3.77Å; F1279-I1302 HydrophobicContact CE2-CG1 4.02Å; F1279-I1302 HydrophobicContact CE2-CG2 3.84Å; F1279-I1302 HydrophobicContact CZ-CD1 4.3Å; F1279-D1316 HydrophobicContact CB-CB 3.7Å; F1279-D1316 HydrophobicContact CD1-CB 4.02Å; F1279-D1316 HydrophobicContact CG-CB 3.98Å; F1279-L1320 HydrophobicContact CD1-CB 4.09Å; F1279-L1320 HydrophobicContact CD1-CD1 4.2Å; F1279-L1320 HydrophobicContact CD1-CD2 4.46Å; F1279-L1320 HydrophobicContact CD1-CG 4.5Å; F1279-L1320 HydrophobicContact CE1-CD1 4.2Å; F1279-L1320 HydrophobicContact CE1-CD2 4.06Å; F1279-L1320 WeakPolarHBondContact O-CA 3.48Å; F1279-L1320 PolarHBondContact O-N 3.35Å; F1279-L1320 VanDerWaalsContact O-N 3.15Å
1280W90.7Very high87.1Confident59 Ų5929.4 Ų29.422%0.22317%0.165CC..SBendtrans-145.9166.4178.371.1-64.9000110.5L1175 D1278 N1282 N1283 I1284 Y1323L1175-W1280 HydrophobicContact CD1-CE3 3.62Å; L1175-W1280 HydrophobicContact CD1-CZ3 3.51Å; L1175-W1280 HydrophobicContact CD2-CE3 4.43Å; L1175-W1280 HydrophobicContact CD2-CZ3 4.02Å; L1175-W1280 HydrophobicContact CG-CZ3 4.44Å; D1278-W1280 VanDerWaalsContact O-CD1 3.3Å; D1278-W1280 PolarHBondContact O-N 2.9Å; D1278-W1280 PolarHBondContact OD2-NE1 2.74Å; W1280-N1282 VanDerWaalsContact C-N 3.28Å; W1280-N1282 HydrophobicContact CD2-CB 4.06Å; W1280-N1282 HydrophobicContact CE3-CB 4.1Å; W1280-N1282 HydrophobicContact CH2-CB 3.63Å; W1280-N1282 WeakPolarHBondContact CH2-ND2 3.46Å; W1280-N1282 HydrophobicContact CZ2-CB 3.56Å; W1280-N1282 HydrophobicContact CZ3-CB 3.89Å; W1280-N1282 WeakPolarHBondContact CZ3-ND2 3.31Å; W1280-N1282 PolarHBondContact O-N 3.33Å; W1280-N1282 VanDerWaalsContact O-N 3.09Å; W1280-N1283 PolarHBondContact NE1-ND2 3Å; W1280-N1283 VanDerWaalsContact NE1-ND2 3.15Å; W1280-N1283 PolarHBondContact O-N 3.46Å; W1280-I1284 WeakPolarHBondContact O-CG1 3.16Å; W1280-Y1323 HydrophobicContact CB-CD1 4.4Å
1281A86.2Confident86.8Confident2 Ų238 Ų382%0.01720%0.202CC..G310 helixtrans-51.2-36.8-169.600000115.4P1173 L1175 L1179 N1283 I1284 S1324P1173-A1281 WeakPolarHBondContact CD-O 3.21Å; P1173-A1281 HydrophobicContact CG-CB 4.06Å; L1175-A1281 HydrophobicContact CD1-CB 3.8Å; L1179-A1281 HydrophobicContact CD1-CB 4.47Å; L1179-A1281 HydrophobicContact CD2-CB 4.17Å; L1179-A1281 HydrophobicContact CG-CB 4.33Å; A1281-N1283 PolarHBondContact O-N 3.36Å; A1281-I1284 PolarHBondContact O-N 2.74Å; A1281-I1284 VanDerWaalsContact O-O 3.13Å; A1281-S1324 WeakPolarHBondContact CB-OG 3.14Å; A1281-S1324 PolarHBondContact N-OG 3.05Å
1282N84.8Confident86.3Confident64 Ų6438.9 Ų38.934%0.34221%0.206SC..G310 helixtrans-71.2-16179.3-801.9000114T1172 L1175 W1280T1172-N1282 WeakPolarHBondContact CG2-O 3.47Å; L1175-N1282 WeakPolarHBondContact CD1-OD1 3.24Å; W1280-N1282 VanDerWaalsContact C-N 3.28Å; W1280-N1282 HydrophobicContact CD2-CB 4.06Å; W1280-N1282 HydrophobicContact CE3-CB 4.1Å; W1280-N1282 HydrophobicContact CH2-CB 3.63Å; W1280-N1282 WeakPolarHBondContact CH2-ND2 3.46Å; W1280-N1282 HydrophobicContact CZ2-CB 3.56Å; W1280-N1282 HydrophobicContact CZ3-CB 3.89Å; W1280-N1282 WeakPolarHBondContact CZ3-ND2 3.31Å; W1280-N1282 PolarHBondContact O-N 3.33Å; W1280-N1282 VanDerWaalsContact O-N 3.09Å
1283N90.3Very high85.3Confident11 Ų1144.5 Ų44.56%0.05924%0.236CC..G310 helixtrans-98.711.3176.4-70.4-8.4000111.9D1278 W1280 A1281 I1302 I1303D1278-N1283 PolarHBondContact O-ND2 2.81Å; D1278-N1283 PolarHBondContact OD2-ND2 3.28Å; W1280-N1283 PolarHBondContact NE1-ND2 3Å; W1280-N1283 VanDerWaalsContact NE1-ND2 3.15Å; W1280-N1283 PolarHBondContact O-N 3.46Å; A1281-N1283 PolarHBondContact O-N 3.36Å; N1283-I1302 WeakPolarHBondContact O-CA 3.22Å; N1283-I1303 HydrophobicContact CB-CG1 4.49Å; N1283-I1303 WeakPolarHBondContact CB-O 3.31Å; N1283-I1303 PolarHBondContact O-N 2.96Å
1284I92.8Very high84.5Confident0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-127.5114.1-178.1-52168.2000108.7F1279 W1280 A1281 F1286 I1299 L1320F1279-I1284 HydrophobicContact CD1-CD1 4.44Å; F1279-I1284 HydrophobicContact CD2-CD1 4.43Å; F1279-I1284 HydrophobicContact CE1-CD1 3.95Å; F1279-I1284 HydrophobicContact CE2-CD1 3.92Å; F1279-I1284 HydrophobicContact CE2-CG1 4.03Å; F1279-I1284 HydrophobicContact CZ-CD1 3.67Å; F1279-I1284 HydrophobicContact CZ-CG1 4.23Å; W1280-I1284 WeakPolarHBondContact O-CG1 3.16Å; A1281-I1284 PolarHBondContact O-N 2.74Å; A1281-I1284 VanDerWaalsContact O-O 3.13Å; I1284-F1286 HydrophobicContact CB-CE2 3.88Å; I1284-F1286 HydrophobicContact CB-CZ 4.42Å; I1284-F1286 HydrophobicContact CG2-CD2 4Å; I1284-F1286 HydrophobicContact CG2-CE1 4.35Å; I1284-F1286 HydrophobicContact CG2-CE2 3.38Å; I1284-F1286 HydrophobicContact CG2-CZ 3.6Å; I1284-I1299 HydrophobicContact CG2-CD1 4.17Å; I1284-I1299 HydrophobicContact CG2-CG1 3.95Å; I1284-I1299 HydrophobicContact CG2-CG2 4.03Å; I1284-L1320 HydrophobicContact CD1-CD1 3.65Å
1285L90.3Very high84Confident29 Ų2948.6 Ų48.615%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-91.3126.4174.1-68170.8000108.9M1166 A1170 T1172 A1300 A1301 I1303M1166-L1285 HydrophobicContact CB-CD1 3.93Å; M1166-L1285 HydrophobicContact CG-CD1 4.37Å; A1170-L1285 HydrophobicContact CB-CB 4.04Å; T1172-L1285 HydrophobicContact CG2-CD2 3.67Å; T1172-L1285 HydrophobicContact CG2-CG 4.48Å; L1285-A1300 PolarHBondContact O-N 3Å; L1285-A1301 HydrophobicContact CB-CB 4.34Å; L1285-A1301 HydrophobicContact CD1-CB 4.23Å; L1285-A1301 PolarHBondContact N-O 3.38Å; L1285-A1301 PolarHBondContact O-N 3.37Å; L1285-I1303 HydrophobicContact CD1-CD1 4.45Å; L1285-I1303 HydrophobicContact CD1-CG2 4.16Å
1286F92.4Very high83.9Confident0 Ų050 Ų500%028%0.275CS..EExtended strand (participates in β ladder)trans-106.6144.6176.4-69.3-94.7000110.4A1170 E1171 P1173 L1179 Q1183 I1284 V1288 V1295 R1298 I1299A1170-F1286 CarbonylContact C-O 3.47Å; A1170-F1286 WeakPolarHBondContact CA-O 3.48Å; A1170-F1286 WeakPolarHBondContact CB-O 3.46Å; E1171-F1286 PolarHBondContact N-O 3Å; E1171-F1286 PolarHBondContact O-N 3.2Å; P1173-F1286 HydrophobicContact CG-CD2 3.75Å; P1173-F1286 HydrophobicContact CG-CE2 3.56Å; L1179-F1286 HydrophobicContact CD2-CE2 3.99Å; L1179-F1286 HydrophobicContact CD2-CZ 4.02Å; Q1183-F1286 HydrophobicContact CB-CD1 4.44Å; Q1183-F1286 HydrophobicContact CB-CE1 3.59Å; Q1183-F1286 HydrophobicContact CB-CZ 3.8Å; Q1183-F1286 HydrophobicContact CG-CD1 3.84Å; Q1183-F1286 HydrophobicContact CG-CE1 3.48Å; Q1183-F1286 VanDerWaalsContact CG-CE1 3.48Å; Q1183-F1286 HydrophobicContact CG-CZ 3.95Å; I1284-F1286 HydrophobicContact CB-CE2 3.88Å; I1284-F1286 HydrophobicContact CB-CZ 4.42Å; I1284-F1286 HydrophobicContact CG2-CD2 4Å; I1284-F1286 HydrophobicContact CG2-CE1 4.35Å; I1284-F1286 HydrophobicContact CG2-CE2 3.38Å; I1284-F1286 HydrophobicContact CG2-CZ 3.6Å; F1286-V1288 PolarHBondContact O-N 2.86Å; F1286-V1295 HydrophobicContact CB-CG1 3.38Å; F1286-V1295 HydrophobicContact CG-CG1 4.14Å; F1286-R1298 CarbonylContact C-O 3.53Å; F1286-R1298 WeakPolarHBondContact CA-O 3.43Å; F1286-R1298 WeakPolarHBondContact CB-O 3.41Å; F1286-R1298 WeakPolarHBondContact CD1-O 3.43Å; F1286-I1299 HydrophobicContact CD1-CG1 4.06Å; F1286-I1299 HydrophobicContact CE1-CG1 3.64Å; F1286-I1299 HydrophobicContact CZ-CG1 4.2Å
1287E91.5Very high83.6Confident81 Ų8153.5 Ų53.538%0.37929%0.293SS..EExtended strand (participates in β ladder)trans-59.9136177.9-63.8178.3-177.700110.2H1169 S1296 R1298 A1300H1169-E1287 CarbonylContact O-C 3.57Å; H1169-E1287 WeakPolarHBondContact O-CA 3.46Å; E1287-S1296 WeakPolarHBondContact O-CB 3.43Å; E1287-S1296 PolarHBondContact O-N 2.82Å; E1287-S1296 PolarHBondContact O-OG 3.33Å; E1287-R1298 HydrophobicContact CB-CB 4.34Å; E1287-R1298 HydrophobicContact CG-CB 4.11Å; E1287-R1298 PolarHBondContact N-O 3.5Å; E1287-R1298 WeakPolarHBondContact OE2-CD 3.28Å; E1287-A1300 HydrophobicContact CG-CB 3.83Å
1288V86.5Confident83.8Confident30 Ų3061 Ų6118%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-96.6126.5173.7179.20000108.7H1169 E1171 F1286 S1290H1169-V1288 PolarHBondContact O-N 3.32Å; E1171-V1288 HydrophobicContact CB-CG2 3.62Å; F1286-V1288 PolarHBondContact O-N 2.86Å; V1288-S1290 PolarHBondContact O-N 3.42Å; V1288-S1290 VanDerWaalsContact O-N 3.09Å
1289D75.4Confident84.1Confident69 Ų6960.9 Ų60.937%0.36932%0.319SS..EExtended strand (participates in β ladder)trans-70.2109.3173-177.9-18.5000109.3K1291 T1292 N1293 S1294D1289-K1291 PolarHBondContact O-N 3.15Å; D1289-K1291 WeakPolarHBondContact OD1-CB 3.08Å; D1289-K1291 PolarHBondContact OD1-N 2.86Å; D1289-T1292 WeakPolarHBondContact CB-OG1 3.38Å; D1289-T1292 PolarHBondContact O-N 3.45Å; D1289-T1292 VanDerWaalsContact O-N 3.16Å; D1289-N1293 WeakPolarHBondContact O-CA 3.48Å; D1289-N1293 PolarHBondContact O-N 2.95Å; D1289-S1294 PolarHBondContact N-O 3.45Å; D1289-S1294 VanDerWaalsContact N-O 3.13Å
1290S69.5Low83.9Confident114 Ų11462.2 Ų62.280%0.79733%0.331SS*.THydrogen-bonded Turntrans-51.8-20.6178.259.40000115.5V1288V1288-S1290 PolarHBondContact O-N 3.42Å; V1288-S1290 VanDerWaalsContact O-N 3.09Å
1291K71Confident83.8Confident190 Ų19060.5 Ų60.583%0.82633%0.329SS*.THydrogen-bonded Turntrans-88-39.2178.7-66.6-177.2-179.4175.70113.5D1289D1289-K1291 PolarHBondContact O-N 3.15Å; D1289-K1291 WeakPolarHBondContact OD1-CB 3.08Å; D1289-K1291 PolarHBondContact OD1-N 2.86Å
1292T67.8Low84Confident88 Ų8862.3 Ų62.354%0.5434%0.338SS..THydrogen-bonded Turntrans-101-14.7-176.357.20000112.7D1289 S1294D1289-T1292 WeakPolarHBondContact CB-OG1 3.38Å; D1289-T1292 PolarHBondContact O-N 3.45Å; D1289-T1292 VanDerWaalsContact O-N 3.16Å; T1292-S1294 PolarHBondContact O-N 3.49Å; T1292-S1294 PolarHBondContact OG1-N 2.84Å; T1292-S1294 PolarHBondContact OG1-OG 3.46Å
1293N67.7Low84.1Confident130 Ų13061.4 Ų61.470%0.69533%0.332SS*.THydrogen-bonded Turntrans55.428.7-172.5-139.355.7000112.8D1289D1289-N1293 WeakPolarHBondContact O-CA 3.48Å; D1289-N1293 PolarHBondContact O-N 2.95Å
1294S73.9Confident83.7Confident60 Ų6063.9 Ų63.942%0.4235%0.345SS..EExtended strand (participates in β ladder)trans-105.6140.9178.362.70000110.5D1289 T1292 S1296D1289-S1294 PolarHBondContact N-O 3.45Å; D1289-S1294 VanDerWaalsContact N-O 3.13Å; T1292-S1294 PolarHBondContact O-N 3.49Å; T1292-S1294 PolarHBondContact OG1-N 2.84Å; T1292-S1294 PolarHBondContact OG1-OG 3.46Å; S1294-S1296 PolarHBondContact O-N 3.46Å
1295V82Confident83.4Confident45 Ų4568.4 Ų68.427%0.27336%0.363SS..EExtended strand (participates in β ladder)trans-62.9125.9174.1-171.30000109.7E1171 F1286E1171-V1295 HydrophobicContact CB-CG2 4.32Å; F1286-V1295 HydrophobicContact CB-CG1 3.38Å; F1286-V1295 HydrophobicContact CG-CG1 4.14Å
1296S88.4Confident82.9Confident31 Ų3174 Ų7422%0.21739%0.388CS..EExtended strand (participates in β ladder)trans-84.5-179.4179.479.80000112.2Q1183 E1287 S1294 R1298Q1183-S1296 PolarHBondContact NE2-O 3.46Å; E1287-S1296 WeakPolarHBondContact O-CB 3.43Å; E1287-S1296 PolarHBondContact O-N 2.82Å; E1287-S1296 PolarHBondContact O-OG 3.33Å; S1294-S1296 PolarHBondContact O-N 3.46Å; S1296-R1298 VanDerWaalsContact C-N 3.33Å; S1296-R1298 PolarHBondContact OG-N 2.68Å; S1296-R1298 VanDerWaalsContact OG-N 3.15Å
1297D89.3Confident82.4Confident73 Ų7376.3 Ų76.339%0.3940%0.402SS..EExtended strand (participates in β ladder)trans-82.9-8.5172.9-67.7-29.8000113.2T1180 Q1183 N1186T1180-D1297 PolarHBondContact OG1-OD1 2.71Å; Q1183-D1297 HydrophobicContact CG-CB 4.42Å; Q1183-D1297 PolarHBondContact N-OD1 3.36Å; N1186-D1297 VanDerWaalsContact CB-O 3.32Å; N1186-D1297 WeakPolarHBondContact CB-O 3.39Å; N1186-D1297 PolarHBondContact ND2-O 2.64Å
1298R89.5Confident82.2Confident163 Ų16374.1 Ų74.162%0.61540%0.395SS*.EExtended strand (participates in β ladder)trans-87.7130.1-174.6-69.4-175.9176.8-177.70.1111.4F1286 E1287 S1296F1286-R1298 CarbonylContact C-O 3.53Å; F1286-R1298 WeakPolarHBondContact CA-O 3.43Å; F1286-R1298 WeakPolarHBondContact CB-O 3.41Å; F1286-R1298 WeakPolarHBondContact CD1-O 3.43Å; E1287-R1298 HydrophobicContact CB-CB 4.34Å; E1287-R1298 HydrophobicContact CG-CB 4.11Å; E1287-R1298 PolarHBondContact N-O 3.5Å; E1287-R1298 WeakPolarHBondContact OE2-CD 3.28Å; S1296-R1298 VanDerWaalsContact C-N 3.33Å; S1296-R1298 PolarHBondContact OG-N 2.68Å; S1296-R1298 VanDerWaalsContact OG-N 3.15Å
1299I92.4Very high82.5Confident37 Ų3772.7 Ų72.719%0.1939%0.387CS..EExtended strand (participates in β ladder)trans-77.6125.1174.5-62.4172.3000108.8N1186 C1187 A1190 I1284 F1286 I1302N1186-I1299 HydrophobicContact CB-CD1 4.23Å; N1186-I1299 HydrophobicContact CB-CG1 4.26Å; C1187-I1299 HydrophobicContact CB-CD1 4.29Å; A1190-I1299 HydrophobicContact CB-CD1 3.98Å; I1284-I1299 HydrophobicContact CG2-CD1 4.17Å; I1284-I1299 HydrophobicContact CG2-CG1 3.95Å; I1284-I1299 HydrophobicContact CG2-CG2 4.03Å; F1286-I1299 HydrophobicContact CD1-CG1 4.06Å; F1286-I1299 HydrophobicContact CE1-CG1 3.64Å; F1286-I1299 HydrophobicContact CZ-CG1 4.2Å; I1299-I1302 HydrophobicContact CG2-CG1 4.06Å
1300A89.1Confident83.1Confident31 Ų3170.6 Ų70.626%0.25638%0.375SS..EExtended strand (participates in β ladder)trans-90.2-43.917400000111.2M1166 A1170 L1285 E1287M1166-A1300 HydrophobicContact CE-CB 3.35Å; A1170-A1300 HydrophobicContact CB-CB 3.43Å; A1170-A1300 VanDerWaalsContact CB-CB 3.43Å; L1285-A1300 PolarHBondContact O-N 3Å; E1287-A1300 HydrophobicContact CG-CB 3.83Å
1301A88.6Confident84Confident22 Ų2265.1 Ų65.118%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-153.8156.2175.300000112.8M1166 L1285 I1303M1166-A1301 HydrophobicContact CE-CB 4.26Å; L1285-A1301 HydrophobicContact CB-CB 4.34Å; L1285-A1301 HydrophobicContact CD1-CB 4.23Å; L1285-A1301 PolarHBondContact N-O 3.38Å; L1285-A1301 PolarHBondContact O-N 3.37Å; A1301-I1303 HydrophobicContact CB-CG2 4.33Å
1302I90.8Very high84.8Confident40 Ų4057 Ų5721%0.20530%0.304CS..EExtended strand (participates in β ladder)trans-115.9125168.4-61.4162.7000107A1190 F1279 N1283 I1299 W1305A1190-I1302 HydrophobicContact CB-CD1 4.01Å; F1279-I1302 HydrophobicContact CD2-CG2 4.11Å; F1279-I1302 HydrophobicContact CE2-CD1 3.77Å; F1279-I1302 HydrophobicContact CE2-CG1 4.02Å; F1279-I1302 HydrophobicContact CE2-CG2 3.84Å; F1279-I1302 HydrophobicContact CZ-CD1 4.3Å; N1283-I1302 WeakPolarHBondContact O-CA 3.22Å; I1299-I1302 HydrophobicContact CG2-CG1 4.06Å; I1302-W1305 HydrophobicContact CB-CZ2 4.3Å; I1302-W1305 HydrophobicContact CG2-CZ2 3.95Å; I1302-W1305 PolarHBondContact O-NE1 2.83Å
1303I87Confident85.8Confident46 Ų4653 Ų5324%0.23628%0.279CS..  trans-122.6171.2-170.965172000111.4M1163 H1276 N1283 L1285 A1301M1163-I1303 HydrophobicContact CE-CG2 3.94Å; H1276-I1303 PolarHBondContact CE1-O 3.14Å; H1276-I1303 PolarHBondContact NE2-O 3.32Å; N1283-I1303 HydrophobicContact CB-CG1 4.49Å; N1283-I1303 WeakPolarHBondContact CB-O 3.31Å; N1283-I1303 PolarHBondContact O-N 2.96Å; L1285-I1303 HydrophobicContact CD1-CD1 4.45Å; L1285-I1303 HydrophobicContact CD1-CG2 4.16Å; A1301-I1303 HydrophobicContact CB-CG2 4.33Å
1304D81.8Confident86.7Confident62 Ų6246.8 Ų46.833%0.33225%0.246SC..  trans63.161.2176.6-160.69.1000115.6H1276 Q1306H1276-D1304 PolarHBondContact CE1-O 2.85Å; D1304-Q1306 PolarHBondContact O-N 3.4Å; D1304-Q1306 VanDerWaalsContact O-N 3.12Å; D1304-Q1306 VanDerWaalsContact OD1-CD 3.28Å; D1304-Q1306 WeakPolarHBondContact OD1-CG 3.16Å; D1304-Q1306 PolarHBondContact OD1-NE2 2.95Å; D1304-Q1306 PolarHBondContact OD2-NE2 3.43Å
1305W86.4Confident87.5Confident95 Ų9545.1 Ų45.136%0.3623%0.231SC..  trans-7919180-66.779.2000114.3L1194 H1276 I1302 V1307 C1308L1194-W1305 HydrophobicContact CD1-CH2 3.81Å; L1194-W1305 HydrophobicContact CD1-CZ3 4.19Å; L1194-W1305 HydrophobicContact CD2-CH2 3.61Å; L1194-W1305 HydrophobicContact CD2-CZ3 3.81Å; L1194-W1305 HydrophobicContact CG-CH2 4.34Å; H1276-W1305 HydrophobicContact CB-CE3 4.39Å; H1276-W1305 HydrophobicContact CB-CZ3 4.13Å; H1276-W1305 AromaticContact CD2-CD2 3.44Å; H1276-W1305 VanDerWaalsContact CD2-CD2 3.44Å; H1276-W1305 AromaticContact CD2-CE2 3.53Å; H1276-W1305 AromaticContact CD2-CE3 3.55Å; H1276-W1305 AromaticContact CD2-CH2 3.89Å; H1276-W1305 AromaticContact CD2-CZ2 3.77Å; H1276-W1305 AromaticContact CD2-CZ3 3.78Å; H1276-W1305 AromaticContact NE2-CD2 3.88Å; H1276-W1305 AromaticContact NE2-CE2 3.95Å; H1276-W1305 AromaticContact NE2-CG 3.99Å; I1302-W1305 HydrophobicContact CB-CZ2 4.3Å; I1302-W1305 HydrophobicContact CG2-CZ2 3.95Å; I1302-W1305 PolarHBondContact O-NE1 2.83Å; W1305-V1307 PolarHBondContact O-N 2.88Å; W1305-V1307 VanDerWaalsContact O-N 3.12Å; W1305-C1308 HydrophobicContact CE3-CB 4.25Å; W1305-C1308 PolarHBondContact O-N 3.38Å; W1305-C1308 PolarHBondContact O-SG 3.15Å
1306Q79.2Confident88Confident146 Ų14643 Ų4368%0.68222%0.218SC*.THydrogen-bonded Turntrans-63.6-21-169.465.4175.8-56.400114.9D1304D1304-Q1306 PolarHBondContact O-N 3.4Å; D1304-Q1306 VanDerWaalsContact O-N 3.12Å; D1304-Q1306 VanDerWaalsContact OD1-CD 3.28Å; D1304-Q1306 WeakPolarHBondContact OD1-CG 3.16Å; D1304-Q1306 PolarHBondContact OD1-NE2 2.95Å; D1304-Q1306 PolarHBondContact OD2-NE2 3.43Å
1307V81.5Confident88.3Confident50 Ų5041.6 Ų41.630%0.30321%0.208SC..THydrogen-bonded Turntrans-115.921-178.9-73.80000113.1H1276 G1277 D1278 W1305 H1309H1276-V1307 CarbonylContact O-C 3.47Å; G1277-V1307 VanDerWaalsContact C-CG2 3.42Å; D1278-V1307 HydrophobicContact CB-CG2 3.53Å; W1305-V1307 PolarHBondContact O-N 2.88Å; W1305-V1307 VanDerWaalsContact O-N 3.12Å; V1307-H1309 PolarHBondContact O-N 3.39Å; V1307-H1309 PolarHBondContact O-ND1 2.98Å
1308C89Confident88.4Confident34 Ų3438.1 Ų38.123%0.2319%0.19CC..  trans-62.2139.617766.20000111.7L1274 V1275 H1276 W1305L1274-C1308 HydrophobicContact CD1-CB 4.37Å; V1275-C1308 WeakPolarHBondContact O-CA 3.35Å; V1275-C1308 WeakPolarHBondContact O-CB 3.46Å; H1276-C1308 WeakPolarHBondContact O-CA 3.44Å; H1276-C1308 PolarHBondContact O-N 3.11Å; W1305-C1308 HydrophobicContact CE3-CB 4.25Å; W1305-C1308 PolarHBondContact O-N 3.38Å; W1305-C1308 PolarHBondContact O-SG 3.15Å
1309H91.3Very high88.5Confident1 Ų131.9 Ų31.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-158.1170.9-17461.9-80000111.6P1210 H1215 V1275 V1307 E1315P1210-H1309 HydrophobicContact CB-CB 4.41Å; P1210-H1309 WeakPolarHBondContact O-CA 3.46Å; P1210-H1309 WeakPolarHBondContact O-CB 3.23Å; H1215-H1309 HydrophobicContact CB-CB 4.35Å; H1215-H1309 AromaticContact CD2-CE1 3.69Å; H1215-H1309 AromaticContact CD2-NE2 3.64Å; H1215-H1309 AromaticContact CE1-CE1 3.78Å; H1215-H1309 AromaticContact CE1-ND1 3.79Å; H1215-H1309 AromaticContact CG-CD2 3.86Å; H1215-H1309 AromaticContact CG-CE1 3.89Å; H1215-H1309 AromaticContact CG-CG 3.86Å; H1215-H1309 AromaticContact CG-ND1 3.88Å; H1215-H1309 AromaticContact CG-NE2 3.87Å; H1215-H1309 AromaticContact ND1-CE1 3.94Å; H1215-H1309 AromaticContact ND1-CG 3.95Å; H1215-H1309 AromaticContact ND1-ND1 3.66Å; H1215-H1309 AromaticContact NE2-CE1 3.65Å; V1275-H1309 PolarHBondContact N-O 2.91Å; V1275-H1309 PolarHBondContact O-N 3.5Å; V1275-H1309 VanDerWaalsContact O-N 3.14Å; V1307-H1309 PolarHBondContact O-N 3.39Å; V1307-H1309 PolarHBondContact O-ND1 2.98Å; H1309-E1315 IonicContact CE1-OE2 2.7Å; H1309-E1315 IonicContact NE2-OE2 3.77Å; H1309-E1315 PolarHBondContact NE2-OE2 3.33Å
1310Q89.7Confident88.5Confident24 Ų2430.1 Ų30.111%0.11216%0.157CC..EExtended strand (participates in β ladder)trans-77120170.8-52.1175.361.600108.4W1205 R1206 V1209 P1210 M1212 D1272W1205-Q1310 HydrophobicContact CE3-CG 4.49Å; W1205-Q1310 HydrophobicContact CH2-CG 4.29Å; W1205-Q1310 HydrophobicContact CZ3-CB 4.25Å; W1205-Q1310 HydrophobicContact CZ3-CG 3.7Å; R1206-Q1310 HydrophobicContact CG-CG 4.46Å; R1206-Q1310 PolarHBondContact O-NE2 3.45Å; V1209-Q1310 HydrophobicContact CG2-CG 3.77Å; V1209-Q1310 PolarHBondContact O-NE2 3.04Å; P1210-Q1310 PolarHBondContact O-N 2.84Å; M1212-Q1310 WeakPolarHBondContact CA-O 3.35Å; M1212-Q1310 WeakPolarHBondContact CB-O 3.31Å; M1212-Q1310 PolarHBondContact N-O 3.12Å; D1272-Q1310 HydrophobicContact CB-CB 4.17Å
1311G88Confident88.7Confident0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-153.1-172.3-174.900000114.9M1212 D1272 V1273M1212-G1311 VanDerWaalsContact CE-CA 3.44Å; D1272-G1311 WeakPolarHBondContact CA-O 3.45Å; V1273-G1311 PolarHBondContact N-O 2.9Å; V1273-G1311 PolarHBondContact O-N 2.88Å
1312S87.4Confident88.7Confident20 Ų2027.9 Ų27.914%0.1414%0.138CC..  trans-78.3143.8-179.91720000110.8A1314 E1315S1312-A1314 PolarHBondContact O-N 3.33Å; S1312-A1314 PolarHBondContact OG-N 3.03Å; S1312-E1315 PolarHBondContact N-OE1 3.29Å; S1312-E1315 PolarHBondContact O-N 3.27Å; S1312-E1315 VanDerWaalsContact O-N 3.1Å
1313F88Confident88.5Confident3 Ų327.8 Ų27.81%0.01314%0.136CC..THydrogen-bonded Turntrans-55.4-22.8176.775.7-96.2000113.5Q1195 V1270 V1273 F1338 Y1341 A1361 I1364Q1195-F1313 PolarHBondContact NE2-O 3.22Å; Q1195-F1313 PolarHBondContact OE1-O 3.3Å; V1270-F1313 HydrophobicContact CB-CD1 3.94Å; V1270-F1313 HydrophobicContact CB-CE1 4.26Å; V1270-F1313 HydrophobicContact CG1-CD1 4Å; V1270-F1313 HydrophobicContact CG2-CD1 3.88Å; V1270-F1313 HydrophobicContact CG2-CE1 3.79Å; V1273-F1313 HydrophobicContact CG1-CB 4.49Å; V1273-F1313 HydrophobicContact CG2-CB 4.21Å; F1313-F1338 HydrophobicContact CE2-CE2 4.17Å; F1313-F1338 AromaticContact CE2-CZ 3.84Å; F1313-F1338 HydrophobicContact CE2-CZ 3.84Å; F1313-Y1341 WeakPolarHBondContact CB-OH 3.48Å; F1313-Y1341 AromaticContact CD2-CE1 3.95Å; F1313-Y1341 HydrophobicContact CD2-CE1 3.95Å; F1313-Y1341 WeakPolarHBondContact CD2-OH 3.41Å; F1313-Y1341 HydrophobicContact CE2-CE1 4.47Å; F1313-Y1341 PolarHBondContact O-OH 3.16Å; F1313-A1361 HydrophobicContact CE2-CB 4.21Å; F1313-A1361 HydrophobicContact CZ-CB 3.91Å; F1313-I1364 HydrophobicContact CE1-CD1 4.08Å; F1313-I1364 HydrophobicContact CE1-CG2 4.28Å; F1313-I1364 HydrophobicContact CZ-CB 4.11Å; F1313-I1364 HydrophobicContact CZ-CD1 4.14Å; F1313-I1364 HydrophobicContact CZ-CG2 4.09Å
1314A88.3Confident88.6Confident0 Ų025.7 Ų25.70%013%0.125CC..THydrogen-bonded Turntrans-82.2-16.3-177.800000114.9S1312 A1318 I1364 F1365 A1368S1312-A1314 PolarHBondContact O-N 3.33Å; S1312-A1314 PolarHBondContact OG-N 3.03Å; A1314-A1318 WeakPolarHBondContact O-CB 3.32Å; A1314-A1318 PolarHBondContact O-N 3.32Å; A1314-I1364 HydrophobicContact CB-CG2 4.13Å; A1314-F1365 HydrophobicContact CB-CB 4.19Å; A1314-F1365 HydrophobicContact CB-CD2 4.48Å; A1314-A1368 HydrophobicContact CB-CB 4Å
1315E89.3Confident88.9Confident25 Ų2523 Ų2312%0.11711%0.111CC..Hα-helixtrans-68.1-51.6-163.7-75.4-176.1-128.500114.7M1212 V1275 H1309 S1312 L1317 A1318 R1319M1212-E1315 WeakPolarHBondContact CE-OE1 3.31Å; V1275-E1315 HydrophobicContact CG1-CB 3.8Å; V1275-E1315 HydrophobicContact CG2-CB 4.42Å; H1309-E1315 IonicContact CE1-OE2 2.7Å; H1309-E1315 IonicContact NE2-OE2 3.77Å; H1309-E1315 PolarHBondContact NE2-OE2 3.33Å; S1312-E1315 PolarHBondContact N-OE1 3.29Å; S1312-E1315 PolarHBondContact O-N 3.27Å; S1312-E1315 VanDerWaalsContact O-N 3.1Å; E1315-L1317 PolarHBondContact O-N 2.96Å; E1315-A1318 PolarHBondContact O-N 3.47Å; E1315-R1319 WeakPolarHBondContact O-CB 3.29Å; E1315-R1319 PolarHBondContact O-N 2.89Å
1316D93.7Very high88.8Confident0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-63.5-45-175.8-72.5-33.9000111.5V1191 V1275 H1276 G1277 F1279 A1318 R1319 L1320V1191-D1316 HydrophobicContact CG1-CB 4.23Å; V1191-D1316 HydrophobicContact CG2-CB 4.18Å; V1275-D1316 WeakPolarHBondContact CA-OD2 3.38Å; V1275-D1316 VanDerWaalsContact CG1-OD1 3.27Å; V1275-D1316 WeakPolarHBondContact CG1-OD1 3.35Å; H1276-D1316 WeakPolarHBondContact CB-OD1 3.47Å; H1276-D1316 PolarHBondContact N-OD1 3.1Å; H1276-D1316 PolarHBondContact N-OD2 3.42Å; G1277-D1316 PolarHBondContact N-OD1 2.78Å; F1279-D1316 HydrophobicContact CB-CB 3.7Å; F1279-D1316 HydrophobicContact CD1-CB 4.02Å; F1279-D1316 HydrophobicContact CG-CB 3.98Å; D1316-A1318 VanDerWaalsContact C-N 3.33Å; D1316-A1318 PolarHBondContact O-N 3.4Å; D1316-R1319 PolarHBondContact O-N 2.86Å; D1316-L1320 WeakPolarHBondContact O-CB 3.42Å; D1316-L1320 PolarHBondContact O-N 3.33Å
1317L94Very high88.9Confident1 Ų116 Ų161%0.0059%0.09CC..Hα-helixtrans-65.2-37175.2-83177.2000112.2A1188 V1191 E1315 R1319 L1320 Y1321 F1338 Y1341 F1365A1188-L1317 HydrophobicContact CB-CD2 4.17Å; V1191-L1317 HydrophobicContact CB-CG 4.43Å; V1191-L1317 HydrophobicContact CG1-CG 4.27Å; V1191-L1317 HydrophobicContact CG2-CG 4.49Å; E1315-L1317 PolarHBondContact O-N 2.96Å; L1317-R1319 VanDerWaalsContact C-N 3.34Å; L1317-L1320 HydrophobicContact CD2-CD2 4.2Å; L1317-L1320 PolarHBondContact O-N 3.26Å; L1317-Y1321 WeakPolarHBondContact O-CD2 3.43Å; L1317-Y1321 PolarHBondContact O-N 3.22Å; L1317-F1338 HydrophobicContact CD1-CD2 4.47Å; L1317-Y1341 HydrophobicContact CD1-CD1 3.94Å; L1317-Y1341 HydrophobicContact CD1-CD2 3.44Å; L1317-Y1341 VanDerWaalsContact CD1-CD2 3.44Å; L1317-Y1341 HydrophobicContact CD1-CE1 4.47Å; L1317-Y1341 HydrophobicContact CD1-CE2 4.02Å; L1317-Y1341 HydrophobicContact CD1-CG 3.4Å; L1317-Y1341 VanDerWaalsContact CD1-CG 3.4Å; L1317-F1365 HydrophobicContact CB-CD2 4.33Å; L1317-F1365 HydrophobicContact CB-CE2 3.73Å
1318A92.3Very high89Confident0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-66.9-38.7177.900000111.7A1314 E1315 D1316 S1322 F1365 A1368 V1369A1314-A1318 WeakPolarHBondContact O-CB 3.32Å; A1314-A1318 PolarHBondContact O-N 3.32Å; E1315-A1318 PolarHBondContact O-N 3.47Å; D1316-A1318 VanDerWaalsContact C-N 3.33Å; D1316-A1318 PolarHBondContact O-N 3.4Å; A1318-S1322 WeakPolarHBondContact O-CB 3.27Å; A1318-S1322 PolarHBondContact O-N 3.03Å; A1318-S1322 PolarHBondContact O-OG 3.05Å; A1318-S1322 VanDerWaalsContact O-OG 3.1Å; A1318-F1365 HydrophobicContact CB-CD2 4.27Å; A1318-F1365 HydrophobicContact CB-CE2 4.23Å; A1318-A1368 HydrophobicContact CB-CB 3.59Å; A1318-V1369 HydrophobicContact CB-CG2 3.87Å
1319R90.2Very high88.8Confident32 Ų3219 Ų1912%0.12110%0.104CC..Hα-helixtrans-64.5-46.5174.9-171.5153.3-71.2117.48.4111.2G1277 E1315 D1316 L1317 Y1321 S1322 Y1323 N1372G1277-R1319 WeakPolarHBondContact O-CD 3.1Å; G1277-R1319 PolarHBondContact O-NH1 3.19Å; E1315-R1319 WeakPolarHBondContact O-CB 3.29Å; E1315-R1319 PolarHBondContact O-N 2.89Å; D1316-R1319 PolarHBondContact O-N 2.86Å; L1317-R1319 VanDerWaalsContact C-N 3.34Å; R1319-Y1321 PolarHBondContact O-N 2.88Å; R1319-S1322 PolarHBondContact O-N 3.27Å; R1319-Y1323 HydrophobicContact CG-CD1 4.01Å; R1319-Y1323 HydrophobicContact CG-CE1 3.99Å; R1319-Y1323 HydrophobicContact CG-CG 4.37Å; R1319-Y1323 WeakPolarHBondContact O-CB 3.25Å; R1319-Y1323 PolarHBondContact O-N 3.25Å; R1319-N1372 PolarHBondContact NE-OD1 2.89Å; R1319-N1372 PolarHBondContact NH2-OD1 2.78Å
1320L93.8Very high88.6Confident0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-54.4-50.7174.7-171.273000111.8L1179 L1184 C1187 F1279 I1284 D1316 L1317 S1322 Y1323 S1324L1179-L1320 HydrophobicContact CD1-CD1 3.49Å; L1179-L1320 VanDerWaalsContact CD1-CD1 3.49Å; L1179-L1320 HydrophobicContact CD1-CD2 4.31Å; L1179-L1320 HydrophobicContact CD1-CG 3.95Å; L1184-L1320 HydrophobicContact CD2-CD2 3.77Å; L1184-L1320 HydrophobicContact CD2-CG 4.26Å; C1187-L1320 HydrophobicContact CB-CD2 3.54Å; F1279-L1320 HydrophobicContact CD1-CB 4.09Å; F1279-L1320 HydrophobicContact CD1-CD1 4.2Å; F1279-L1320 HydrophobicContact CD1-CD2 4.46Å; F1279-L1320 HydrophobicContact CD1-CG 4.5Å; F1279-L1320 HydrophobicContact CE1-CD1 4.2Å; F1279-L1320 HydrophobicContact CE1-CD2 4.06Å; F1279-L1320 WeakPolarHBondContact O-CA 3.48Å; F1279-L1320 PolarHBondContact O-N 3.35Å; F1279-L1320 VanDerWaalsContact O-N 3.15Å; I1284-L1320 HydrophobicContact CD1-CD1 3.65Å; D1316-L1320 WeakPolarHBondContact O-CB 3.42Å; D1316-L1320 PolarHBondContact O-N 3.33Å; L1317-L1320 HydrophobicContact CD2-CD2 4.2Å; L1317-L1320 PolarHBondContact O-N 3.26Å; L1320-S1322 VanDerWaalsContact C-N 3.33Å; L1320-S1322 PolarHBondContact O-N 3.21Å; L1320-Y1323 PolarHBondContact O-N 3.4Å; L1320-S1324 WeakPolarHBondContact O-CA 3.43Å; L1320-S1324 WeakPolarHBondContact O-CB 3.5Å; L1320-S1324 PolarHBondContact O-N 3.38Å
1321Y92.5Very high88.5Confident1 Ų130.9 Ų30.90%0.00415%0.147CC..Hα-helixtrans-66.1-34.4-178.7-98-77.3000113.7L1184 L1317 R1319 V1325 R1330 T1333 M1334 V1337 F1365L1184-Y1321 HydrophobicContact CD1-CE1 4.32Å; L1184-Y1321 HydrophobicContact CD2-CE2 4.37Å; L1317-Y1321 WeakPolarHBondContact O-CD2 3.43Å; L1317-Y1321 PolarHBondContact O-N 3.22Å; R1319-Y1321 PolarHBondContact O-N 2.88Å; Y1321-V1325 HydrophobicContact CD1-CB 4.1Å; Y1321-V1325 HydrophobicContact CD1-CG1 4.14Å; Y1321-V1325 HydrophobicContact CD1-CG2 3.97Å; Y1321-V1325 HydrophobicContact CE1-CG1 4.16Å; Y1321-V1325 HydrophobicContact CE1-CG2 4.32Å; Y1321-V1325 HydrophobicContact CG-CG2 4.37Å; Y1321-R1330 HydrophobicContact CD1-CB 4.06Å; Y1321-R1330 HydrophobicContact CD1-CG 3.71Å; Y1321-R1330 HydrophobicContact CE1-CB 4.42Å; Y1321-R1330 HydrophobicContact CE1-CG 4.33Å; Y1321-R1330 WeakPolarHBondContact O-CD 3.39Å; Y1321-R1330 PolarHBondContact O-NH1 3.27Å; Y1321-T1333 PolarHBondContact OH-OG1 2.85Å; Y1321-M1334 HydrophobicContact CD1-CB 4.43Å; Y1321-M1334 HydrophobicContact CD1-CG 4.48Å; Y1321-M1334 HydrophobicContact CE1-CB 3.97Å; Y1321-M1334 HydrophobicContact CE1-CG 4.39Å; Y1321-M1334 WeakPolarHBondContact OH-CA 3.33Å; Y1321-V1337 HydrophobicContact CE2-CB 4.39Å; Y1321-V1337 HydrophobicContact CE2-CG1 4.13Å; Y1321-V1337 WeakPolarHBondContact OH-CB 3.48Å; Y1321-V1337 VanDerWaalsContact OH-CG2 3.23Å; Y1321-V1337 WeakPolarHBondContact OH-CG2 3.29Å; Y1321-F1365 HydrophobicContact CD2-CE2 4.35Å; Y1321-F1365 AromaticContact CD2-CZ 3.68Å; Y1321-F1365 HydrophobicContact CD2-CZ 3.68Å; Y1321-F1365 HydrophobicContact CE2-CZ 4.1Å; Y1321-F1365 HydrophobicContact CG-CZ 4.31Å
1322S88Confident88.5Confident6 Ų634.8 Ų34.84%0.04217%0.174CC..Hα-helixtrans-73.8-41.6178.4-700000111.4A1318 R1319 L1320 V1369 N1372 A1373 L1376A1318-S1322 WeakPolarHBondContact O-CB 3.27Å; A1318-S1322 PolarHBondContact O-N 3.03Å; A1318-S1322 PolarHBondContact O-OG 3.05Å; A1318-S1322 VanDerWaalsContact O-OG 3.1Å; R1319-S1322 PolarHBondContact O-N 3.27Å; L1320-S1322 VanDerWaalsContact C-N 3.33Å; L1320-S1322 PolarHBondContact O-N 3.21Å; S1322-V1369 PolarHBondContact OG-O 2.92Å; S1322-V1369 VanDerWaalsContact OG-O 3.06Å; S1322-N1372 WeakPolarHBondContact OG-CB 3.41Å; S1322-A1373 PolarHBondContact OG-N 3.11Å; S1322-L1376 WeakPolarHBondContact O-CD2 3.35Å
1323Y86.7Confident88.6Confident37 Ų3734.1 Ų34.115%0.14517%0.17CC..Hα-helixtrans-100-23.6-165.6-67-164.1000113.3W1280 R1319 L1320 N1372 L1376 Y1379W1280-Y1323 HydrophobicContact CB-CD1 4.4Å; R1319-Y1323 HydrophobicContact CG-CD1 4.01Å; R1319-Y1323 HydrophobicContact CG-CE1 3.99Å; R1319-Y1323 HydrophobicContact CG-CG 4.37Å; R1319-Y1323 WeakPolarHBondContact O-CB 3.25Å; R1319-Y1323 PolarHBondContact O-N 3.25Å; L1320-Y1323 PolarHBondContact O-N 3.4Å; Y1323-N1372 HydrophobicContact CE2-CB 4.43Å; Y1323-L1376 HydrophobicContact CD2-CB 4.01Å; Y1323-L1376 HydrophobicContact CD2-CD1 3.87Å; Y1323-L1376 HydrophobicContact CD2-CD2 4Å; Y1323-L1376 HydrophobicContact CD2-CG 4.18Å; Y1323-L1376 HydrophobicContact CE2-CB 3.73Å; Y1323-L1376 HydrophobicContact CE2-CD1 4.05Å; Y1323-L1376 HydrophobicContact CE2-CG 4.32Å; Y1323-L1376 HydrophobicContact CG-CD1 4.24Å; Y1323-Y1379 WeakPolarHBondContact OH-CD2 3.38Å; Y1323-Y1379 WeakPolarHBondContact OH-CE2 3.47Å
1324S89.3Confident88.9Confident2 Ų235.2 Ų35.21%0.01418%0.175CC..SBendtrans-1273.2-166.6-53.20000114.7L1179 A1281 L1320L1179-S1324 PolarHBondContact N-O 2.87Å; A1281-S1324 WeakPolarHBondContact CB-OG 3.14Å; A1281-S1324 PolarHBondContact N-OG 3.05Å; L1320-S1324 WeakPolarHBondContact O-CA 3.43Å; L1320-S1324 WeakPolarHBondContact O-CB 3.5Å; L1320-S1324 PolarHBondContact O-N 3.38Å
1325V89.1Confident89.1Confident7 Ų740.3 Ų40.34%0.04220%0.197CC..SBendtrans-123.1124.6-177.1-170.80000110.3L1184 Y1321 V1329 R1330L1184-V1325 HydrophobicContact CD1-CG1 4.06Å; L1184-V1325 HydrophobicContact CD1-CG2 4.05Å; L1184-V1325 HydrophobicContact CD2-CG2 3.48Å; L1184-V1325 VanDerWaalsContact CD2-CG2 3.48Å; L1184-V1325 HydrophobicContact CG-CG2 4.3Å; Y1321-V1325 HydrophobicContact CD1-CB 4.1Å; Y1321-V1325 HydrophobicContact CD1-CG1 4.14Å; Y1321-V1325 HydrophobicContact CD1-CG2 3.97Å; Y1321-V1325 HydrophobicContact CE1-CG1 4.16Å; Y1321-V1325 HydrophobicContact CE1-CG2 4.32Å; Y1321-V1325 HydrophobicContact CG-CG2 4.37Å; V1325-V1329 HydrophobicContact CG1-CB 3.79Å; V1325-V1329 HydrophobicContact CG1-CG1 3.73Å; V1325-R1330 HydrophobicContact CB-CB 4.4Å; V1325-R1330 HydrophobicContact CG1-CB 3.89Å; V1325-R1330 PolarHBondContact O-NH1 3.48Å
1326N83.4Confident89.3Confident59 Ų5943 Ų4332%0.31621%0.212SC..  trans-59.9147.1175.2-72.5-15.2000111.1T1176 S1177 D1328 V1329 R1330T1176-N1326 PolarHBondContact O-ND2 2.81Å; S1177-N1326 PolarHBondContact O-ND2 3.46Å; N1326-D1328 VanDerWaalsContact C-N 3.27Å; N1326-D1328 PolarHBondContact O-N 2.84Å; N1326-V1329 HydrophobicContact CB-CG2 4.43Å; N1326-V1329 PolarHBondContact O-N 2.95Å; N1326-V1329 VanDerWaalsContact O-N 3.11Å; N1326-R1330 WeakPolarHBondContact O-CB 3.46Å; N1326-R1330 PolarHBondContact O-N 2.9Å
1327A82Confident89.4Confident34 Ų3443 Ų4328%0.28121%0.213SC..Hα-helixtrans-57.9-38.2-168.100000113.4R1331A1327-R1331 WeakPolarHBondContact O-CB 3.24Å; A1327-R1331 WeakPolarHBondContact O-CG 3.3Å; A1327-R1331 PolarHBondContact O-N 3.31Å
1328D82.6Confident89.4Confident109 Ų10943 Ų4358%0.58321%0.213SC*.Hα-helixtrans-70.4-41.9177.435.4-59.1000112.6N1326 S1332N1326-D1328 VanDerWaalsContact C-N 3.27Å; N1326-D1328 PolarHBondContact O-N 2.84Å; D1328-S1332 WeakPolarHBondContact O-CB 3.46Å; D1328-S1332 PolarHBondContact O-N 3.12Å; D1328-S1332 VanDerWaalsContact O-N 3.13Å; D1328-S1332 PolarHBondContact O-OG 3.49Å
1329V86.1Confident89.6Confident39 Ų3948 Ų4824%0.23623%0.232CC..Hα-helixtrans-66.3-41.2171.3-178.20000110.7L1184 V1325 N1326 S1332 T1333L1184-V1329 HydrophobicContact CD1-CG1 4.08Å; V1325-V1329 HydrophobicContact CG1-CB 3.79Å; V1325-V1329 HydrophobicContact CG1-CG1 3.73Å; N1326-V1329 HydrophobicContact CB-CG2 4.43Å; N1326-V1329 PolarHBondContact O-N 2.95Å; N1326-V1329 VanDerWaalsContact O-N 3.11Å; V1329-S1332 WeakPolarHBondContact CA-OG 3.28Å; V1329-S1332 PolarHBondContact O-N 3.39Å; V1329-S1332 PolarHBondContact O-OG 3.34Å; V1329-S1332 VanDerWaalsContact O-OG 3.14Å; V1329-T1333 HydrophobicContact CG1-CG2 4.01Å; V1329-T1333 WeakPolarHBondContact O-CB 3.47Å; V1329-T1333 WeakPolarHBondContact O-CG2 3.48Å; V1329-T1333 PolarHBondContact O-N 3.47Å; V1329-T1333 PolarHBondContact O-OG1 3.17Å
1330R87.2Confident89.8Confident65 Ų6549 Ų4925%0.24524%0.237CC..Hα-helixtrans-59.3-51.7176.1175.3165.665.6-118.1-2.3111Y1321 V1325 N1326 S1332 T1333 M1334Y1321-R1330 HydrophobicContact CD1-CB 4.06Å; Y1321-R1330 HydrophobicContact CD1-CG 3.71Å; Y1321-R1330 HydrophobicContact CE1-CB 4.42Å; Y1321-R1330 HydrophobicContact CE1-CG 4.33Å; Y1321-R1330 WeakPolarHBondContact O-CD 3.39Å; Y1321-R1330 PolarHBondContact O-NH1 3.27Å; V1325-R1330 HydrophobicContact CB-CB 4.4Å; V1325-R1330 HydrophobicContact CG1-CB 3.89Å; V1325-R1330 PolarHBondContact O-NH1 3.48Å; N1326-R1330 WeakPolarHBondContact O-CB 3.46Å; N1326-R1330 PolarHBondContact O-N 2.9Å; R1330-S1332 VanDerWaalsContact C-N 3.27Å; R1330-S1332 PolarHBondContact O-N 3.3Å; R1330-T1333 PolarHBondContact O-N 3.39Å; R1330-M1334 HydrophobicContact CG-SD 4.38Å; R1330-M1334 WeakPolarHBondContact O-CB 3.42Å; R1330-M1334 PolarHBondContact O-N 3.23Å; R1330-M1334 VanDerWaalsContact O-N 3.1Å
1331R85.7Confident89.9Confident208 Ų20849 Ų4979%0.78524%0.237SC*.Hα-helixtrans-58.6-36.1178.4-74.3169.7-169.9145.81.3113A1327A1327-R1331 WeakPolarHBondContact O-CB 3.24Å; A1327-R1331 WeakPolarHBondContact O-CG 3.3Å; A1327-R1331 PolarHBondContact O-N 3.31Å
1332S87.9Confident89.8Confident82 Ų8249.2 Ų49.257%0.57324%0.238SC*.Hα-helixtrans-88.3-21.9-175.556.80000114.8D1328 V1329 R1330D1328-S1332 WeakPolarHBondContact O-CB 3.46Å; D1328-S1332 PolarHBondContact O-N 3.12Å; D1328-S1332 VanDerWaalsContact O-N 3.13Å; D1328-S1332 PolarHBondContact O-OG 3.49Å; V1329-S1332 WeakPolarHBondContact CA-OG 3.28Å; V1329-S1332 PolarHBondContact O-N 3.39Å; V1329-S1332 PolarHBondContact O-OG 3.34Å; V1329-S1332 VanDerWaalsContact O-OG 3.14Å; R1330-S1332 VanDerWaalsContact C-N 3.27Å; R1330-S1332 PolarHBondContact O-N 3.3Å
1333T91.1Very high90.1Very high7 Ų753 Ų534%0.04326%0.258CS..Hα-helixtrans-115.8-21.5-171.864.20000115.2K1181 Y1321 V1329 R1330 K1335 D1336 V1337K1181-T1333 HydrophobicContact CB-CG2 4.25Å; K1181-T1333 HydrophobicContact CD-CG2 4.1Å; K1181-T1333 HydrophobicContact CG-CG2 4.08Å; Y1321-T1333 PolarHBondContact OH-OG1 2.85Å; V1329-T1333 HydrophobicContact CG1-CG2 4.01Å; V1329-T1333 WeakPolarHBondContact O-CB 3.47Å; V1329-T1333 WeakPolarHBondContact O-CG2 3.48Å; V1329-T1333 PolarHBondContact O-N 3.47Å; V1329-T1333 PolarHBondContact O-OG1 3.17Å; R1330-T1333 PolarHBondContact O-N 3.39Å; T1333-K1335 VanDerWaalsContact C-N 3.34Å; T1333-K1335 PolarHBondContact O-N 3.31Å; T1333-D1336 PolarHBondContact O-N 3.02Å; T1333-V1337 PolarHBondContact O-N 3.43Å
1334M92.9Very high90.4Very high26 Ų2653.5 Ų53.513%0.12826%0.261CS..Hα-helixtrans-53.4-44.4-167.3-176.3174.485.700114.1Y1321 R1330 F1338 Y1362 F1365 E1366 V1369Y1321-M1334 HydrophobicContact CD1-CB 4.43Å; Y1321-M1334 HydrophobicContact CD1-CG 4.48Å; Y1321-M1334 HydrophobicContact CE1-CB 3.97Å; Y1321-M1334 HydrophobicContact CE1-CG 4.39Å; Y1321-M1334 WeakPolarHBondContact OH-CA 3.33Å; R1330-M1334 HydrophobicContact CG-SD 4.38Å; R1330-M1334 WeakPolarHBondContact O-CB 3.42Å; R1330-M1334 PolarHBondContact O-N 3.23Å; R1330-M1334 VanDerWaalsContact O-N 3.1Å; M1334-F1338 WeakPolarHBondContact O-CB 3.36Å; M1334-F1338 PolarHBondContact O-N 2.97Å; M1334-F1338 VanDerWaalsContact O-N 3.1Å; M1334-Y1362 HydrophobicContact CE-CE2 4.48Å; M1334-Y1362 VanDerWaalsContact CE-OH 3.25Å; M1334-Y1362 WeakPolarHBondContact CE-OH 3.42Å; M1334-Y1362 HydrophobicContact CG-CE2 4.46Å; M1334-F1365 HydrophobicContact CG-CD1 4.46Å; M1334-F1365 HydrophobicContact CG-CE1 3.44Å; M1334-F1365 VanDerWaalsContact CG-CE1 3.44Å; M1334-F1365 HydrophobicContact CG-CZ 3.99Å; M1334-F1365 HydrophobicContact SD-CE1 4.2Å; M1334-E1366 HydrophobicContact CE-CG 4.18Å; M1334-V1369 HydrophobicContact SD-CG1 4.25Å; M1334-V1369 HydrophobicContact SD-CG2 4.24Å
1335K93.3Very high90.5Very high106 Ų10653.4 Ų53.446%0.46126%0.26SS..Hα-helixtrans-69.8-39.1179.8-164.5170.9-175.6172.70113T1333 R1339 F1358 Y1362T1333-K1335 VanDerWaalsContact C-N 3.34Å; T1333-K1335 PolarHBondContact O-N 3.31Å; K1335-R1339 VanDerWaalsContact O-CB 3.31Å; K1335-R1339 WeakPolarHBondContact O-CB 3.43Å; K1335-R1339 PolarHBondContact O-N 2.98Å; K1335-F1358 HydrophobicContact CG-CZ 4.2Å; K1335-Y1362 HydrophobicContact CB-CE2 4.02Å; K1335-Y1362 WeakPolarHBondContact CB-OH 3.47Å; K1335-Y1362 HydrophobicContact CD-CE1 4.32Å; K1335-Y1362 HydrophobicContact CG-CE1 4.2Å; K1335-Y1362 HydrophobicContact CG-CE2 4.02Å
1336D92.9Very high90.5Very high81 Ų8156.5 Ų56.543%0.43327%0.274SS..Hα-helixtrans-71.4-45.2-177.7-71.1-9.2000111.5K1181 T1333 R1339 H1340K1181-D1336 IonicContact NZ-OD2 3.63Å; T1333-D1336 PolarHBondContact O-N 3.02Å; D1336-R1339 WeakPolarHBondContact O-CB 3.46Å; D1336-R1339 PolarHBondContact O-N 3.07Å; D1336-H1340 PolarHBondContact O-N 3.29Å
1337V95.5Very high90.8Very high2 Ų259.3 Ų59.31%0.01229%0.287CS..Hα-helixtrans-67.6-40.3178.3173.90000110.4L1184 I1185 A1188 Y1321 T1333 R1339 H1340 Y1341L1184-V1337 HydrophobicContact CB-CG1 4.24Å; L1184-V1337 HydrophobicContact CB-CG2 4.09Å; I1185-V1337 HydrophobicContact CG1-CG2 4.24Å; A1188-V1337 HydrophobicContact CB-CG1 3.68Å; Y1321-V1337 HydrophobicContact CE2-CB 4.39Å; Y1321-V1337 HydrophobicContact CE2-CG1 4.13Å; Y1321-V1337 WeakPolarHBondContact OH-CB 3.48Å; Y1321-V1337 VanDerWaalsContact OH-CG2 3.23Å; Y1321-V1337 WeakPolarHBondContact OH-CG2 3.29Å; T1333-V1337 PolarHBondContact O-N 3.43Å; V1337-R1339 VanDerWaalsContact C-N 3.34Å; V1337-H1340 WeakPolarHBondContact O-CB 3.37Å; V1337-H1340 PolarHBondContact O-N 3.42Å; V1337-Y1341 PolarHBondContact O-N 2.9Å
1338F95.6Very high91.2Very high1 Ų162.1 Ų62.10%0.00429%0.291CS..Hα-helixtrans-67.2-35.4175.1-173-93.1000112.4F1313 L1317 M1334 H1340 Y1341 F1342 F1358 A1361 Y1362 F1365F1313-F1338 HydrophobicContact CE2-CE2 4.17Å; F1313-F1338 AromaticContact CE2-CZ 3.84Å; F1313-F1338 HydrophobicContact CE2-CZ 3.84Å; L1317-F1338 HydrophobicContact CD1-CD2 4.47Å; M1334-F1338 WeakPolarHBondContact O-CB 3.36Å; M1334-F1338 PolarHBondContact O-N 2.97Å; M1334-F1338 VanDerWaalsContact O-N 3.1Å; F1338-H1340 VanDerWaalsContact C-N 3.33Å; F1338-Y1341 AromaticContact CD2-CD1 3.88Å; F1338-Y1341 HydrophobicContact CD2-CD1 3.88Å; F1338-Y1341 HydrophobicContact CD2-CE1 4.47Å; F1338-Y1341 AromaticContact CE2-CD1 3.64Å; F1338-Y1341 HydrophobicContact CE2-CD1 3.64Å; F1338-Y1341 AromaticContact CE2-CE1 3.8Å; F1338-Y1341 HydrophobicContact CE2-CE1 3.8Å; F1338-Y1341 HydrophobicContact CZ-CD1 4.12Å; F1338-Y1341 HydrophobicContact CZ-CE1 4.16Å; F1338-Y1341 WeakPolarHBondContact O-CB 3.4Å; F1338-Y1341 PolarHBondContact O-N 3.23Å; F1338-F1342 HydrophobicContact CE1-CB 4.41Å; F1338-F1342 HydrophobicContact CE1-CD2 4.49Å; F1338-F1342 VanDerWaalsContact O-CB 3.3Å; F1338-F1342 WeakPolarHBondContact O-CB 3.37Å; F1338-F1342 PolarHBondContact O-N 2.85Å; F1338-F1358 HydrophobicContact CD1-CD2 4.47Å; F1338-F1358 AromaticContact CD1-CE2 3.78Å; F1338-F1358 HydrophobicContact CD1-CE2 3.78Å; F1338-F1358 HydrophobicContact CD1-CZ 4.45Å; F1338-F1358 HydrophobicContact CE1-CE2 4.25Å; F1338-A1361 HydrophobicContact CE1-CB 4.09Å; F1338-A1361 HydrophobicContact CZ-CB 4.05Å; F1338-A1361 WeakPolarHBondContact CZ-O 3.24Å; F1338-Y1362 HydrophobicContact CB-CD2 4.04Å; F1338-Y1362 HydrophobicContact CB-CE2 4.22Å; F1338-Y1362 AromaticContact CD1-CD2 3.49Å; F1338-Y1362 HydrophobicContact CD1-CD2 3.49Å; F1338-Y1362 VanDerWaalsContact CD1-CD2 3.49Å; F1338-Y1362 HydrophobicContact CD1-CE2 4.46Å; F1338-Y1362 HydrophobicContact CD1-CG 4.23Å; F1338-Y1362 VanDerWaalsContact CE1-CA 3.45Å; F1338-Y1362 HydrophobicContact CE1-CD2 4.18Å; F1338-Y1362 AromaticContact CG-CD2 3.89Å; F1338-Y1362 HydrophobicContact CG-CD2 3.89Å; F1338-F1365 HydrophobicContact CB-CD1 3.89Å; F1338-F1365 HydrophobicContact CB-CE1 3.74Å; F1338-F1365 HydrophobicContact CD1-CD1 4.33Å; F1338-F1365 HydrophobicContact CD2-CB 3.76Å; F1338-F1365 AromaticContact CD2-CD1 3.31Å; F1338-F1365 HydrophobicContact CD2-CD1 3.31Å; F1338-F1365 AromaticContact CD2-CD2 3.81Å; F1338-F1365 HydrophobicContact CD2-CD2 3.81Å; F1338-F1365 AromaticContact CD2-CE1 3.74Å; F1338-F1365 HydrophobicContact CD2-CE1 3.74Å; F1338-F1365 HydrophobicContact CD2-CE2 4.22Å; F1338-F1365 AromaticContact CD2-CG 3.33Å; F1338-F1365 HydrophobicContact CD2-CG 3.33Å; F1338-F1365 HydrophobicContact CD2-CZ 4.19Å; F1338-F1365 HydrophobicContact CE1-CB 4.44Å; F1338-F1365 HydrophobicContact CE2-CB 3.36Å; F1338-F1365 AromaticContact CE2-CD1 3.9Å; F1338-F1365 HydrophobicContact CE2-CD1 3.9Å; F1338-F1365 AromaticContact CE2-CD2 3.97Å; F1338-F1365 HydrophobicContact CE2-CD2 3.97Å; F1338-F1365 AromaticContact CE2-CG 3.48Å; F1338-F1365 HydrophobicContact CE2-CG 3.48Å; F1338-F1365 VanDerWaalsContact CE2-CG 3.48Å; F1338-F1365 HydrophobicContact CG-CB 4.43Å; F1338-F1365 AromaticContact CG-CD1 3.56Å; F1338-F1365 HydrophobicContact CG-CD1 3.56Å; F1338-F1365 AromaticContact CG-CE1 3.92Å; F1338-F1365 HydrophobicContact CG-CE1 3.92Å; F1338-F1365 HydrophobicContact CG-CG 4.04Å; F1338-F1365 HydrophobicContact CZ-CB 3.74Å; F1338-F1365 HydrophobicContact CZ-CG 4.27Å
1339R94.6Very high91.4Very high105 Ų10557 Ų5740%0.39626%0.263SS..Hα-helixtrans-59.8-45.7170.5179.4166.1-69.3159.3-6.2111.5K1335 D1336 V1337 Y1341 F1342 D1343 F1358K1335-R1339 VanDerWaalsContact O-CB 3.31Å; K1335-R1339 WeakPolarHBondContact O-CB 3.43Å; K1335-R1339 PolarHBondContact O-N 2.98Å; D1336-R1339 WeakPolarHBondContact O-CB 3.46Å; D1336-R1339 PolarHBondContact O-N 3.07Å; V1337-R1339 VanDerWaalsContact C-N 3.34Å; R1339-Y1341 PolarHBondContact O-N 2.86Å; R1339-F1342 PolarHBondContact O-N 3.31Å; R1339-D1343 WeakPolarHBondContact O-CB 3.06Å; R1339-D1343 PolarHBondContact O-N 3.26Å; R1339-F1358 VanDerWaalsContact CA-CE2 3.5Å; R1339-F1358 HydrophobicContact CB-CE2 3.69Å; R1339-F1358 HydrophobicContact CB-CZ 4Å; R1339-F1358 HydrophobicContact CG-CE2 4.22Å; R1339-F1358 VanDerWaalsContact NH2-CE1 3.27Å
1340H95Very high91.1Very high52 Ų5259.1 Ų59.124%0.24128%0.278CS..Hα-helixtrans-59.1-46.3175.5-171.382.3000112.4E1189 D1336 V1337 F1338 F1342 D1343 K1344E1189-H1340 WeakPolarHBondContact CG-NE2 3.31Å; E1189-H1340 IonicContact OE1-CD2 2.7Å; E1189-H1340 IonicContact OE1-CE1 2.67Å; E1189-H1340 PolarHBondContact OE1-CE1 2.77Å; E1189-H1340 VanDerWaalsContact OE1-CE1 3.27Å; E1189-H1340 IonicContact OE1-NE2 3.39Å; E1189-H1340 PolarHBondContact OE1-NE2 2.86Å; D1336-H1340 PolarHBondContact O-N 3.29Å; V1337-H1340 WeakPolarHBondContact O-CB 3.37Å; V1337-H1340 PolarHBondContact O-N 3.42Å; F1338-H1340 VanDerWaalsContact C-N 3.33Å; H1340-F1342 PolarHBondContact O-N 2.97Å; H1340-D1343 PolarHBondContact O-N 3.47Å; H1340-K1344 WeakPolarHBondContact O-CB 3.23Å; H1340-K1344 WeakPolarHBondContact O-CG 3.26Å; H1340-K1344 PolarHBondContact O-N 3.17Å; H1340-K1344 VanDerWaalsContact O-N 3.08Å
1341Y95.5Very high90.7Very high0 Ų059.2 Ų59.20%030%0.299CS..Hα-helixtrans-56.1-49.1172.1160.7-94.5000112V1191 A1192 Q1195 F1313 L1317 V1337 F1338 R1339 D1343 K1344 I1345V1191-Y1341 HydrophobicContact CG1-CD2 4.5Å; V1191-Y1341 HydrophobicContact CG1-CE2 4.03Å; A1192-Y1341 HydrophobicContact CB-CD2 3.76Å; A1192-Y1341 HydrophobicContact CB-CE2 4.01Å; Q1195-Y1341 VanDerWaalsContact OE1-CZ 3.31Å; Q1195-Y1341 PolarHBondContact OE1-OH 3.16Å; F1313-Y1341 WeakPolarHBondContact CB-OH 3.48Å; F1313-Y1341 AromaticContact CD2-CE1 3.95Å; F1313-Y1341 HydrophobicContact CD2-CE1 3.95Å; F1313-Y1341 WeakPolarHBondContact CD2-OH 3.41Å; F1313-Y1341 HydrophobicContact CE2-CE1 4.47Å; F1313-Y1341 PolarHBondContact O-OH 3.16Å; L1317-Y1341 HydrophobicContact CD1-CD1 3.94Å; L1317-Y1341 HydrophobicContact CD1-CD2 3.44Å; L1317-Y1341 VanDerWaalsContact CD1-CD2 3.44Å; L1317-Y1341 HydrophobicContact CD1-CE1 4.47Å; L1317-Y1341 HydrophobicContact CD1-CE2 4.02Å; L1317-Y1341 HydrophobicContact CD1-CG 3.4Å; L1317-Y1341 VanDerWaalsContact CD1-CG 3.4Å; V1337-Y1341 PolarHBondContact O-N 2.9Å; F1338-Y1341 AromaticContact CD2-CD1 3.88Å; F1338-Y1341 HydrophobicContact CD2-CD1 3.88Å; F1338-Y1341 HydrophobicContact CD2-CE1 4.47Å; F1338-Y1341 AromaticContact CE2-CD1 3.64Å; F1338-Y1341 HydrophobicContact CE2-CD1 3.64Å; F1338-Y1341 AromaticContact CE2-CE1 3.8Å; F1338-Y1341 HydrophobicContact CE2-CE1 3.8Å; F1338-Y1341 HydrophobicContact CZ-CD1 4.12Å; F1338-Y1341 HydrophobicContact CZ-CE1 4.16Å; F1338-Y1341 WeakPolarHBondContact O-CB 3.4Å; F1338-Y1341 PolarHBondContact O-N 3.23Å; R1339-Y1341 PolarHBondContact O-N 2.86Å; Y1341-D1343 PolarHBondContact O-N 3.04Å; Y1341-K1344 PolarHBondContact O-N 2.97Å; Y1341-I1345 HydrophobicContact CE1-CG2 4.24Å; Y1341-I1345 HydrophobicContact CE2-CD1 4.36Å; Y1341-I1345 WeakPolarHBondContact O-CG2 3.45Å; Y1341-I1345 PolarHBondContact O-N 2.79Å; Y1341-I1345 WeakPolarHBondContact OH-CD1 3.43Å
1342F92Very high90.2Very high5 Ų550.3 Ų50.32%0.02227%0.27CS..Hα-helixtrans-62.7-43.3-176.8-174.4-94.9000111.8F1338 R1339 H1340 K1344 I1345 Q1346 M1353 V1356 F1358 A1361F1338-F1342 HydrophobicContact CE1-CB 4.41Å; F1338-F1342 HydrophobicContact CE1-CD2 4.49Å; F1338-F1342 VanDerWaalsContact O-CB 3.3Å; F1338-F1342 WeakPolarHBondContact O-CB 3.37Å; F1338-F1342 PolarHBondContact O-N 2.85Å; R1339-F1342 PolarHBondContact O-N 3.31Å; H1340-F1342 PolarHBondContact O-N 2.97Å; F1342-K1344 VanDerWaalsContact C-N 3.34Å; F1342-K1344 PolarHBondContact O-N 3.19Å; F1342-I1345 WeakPolarHBondContact O-CG2 3.17Å; F1342-Q1346 HydrophobicContact CD1-CG 4.35Å; F1342-Q1346 HydrophobicContact CE1-CG 3.98Å; F1342-Q1346 VanDerWaalsContact CE1-NE2 3.3Å; F1342-Q1346 VanDerWaalsContact CE1-OE1 3.3Å; F1342-Q1346 HydrophobicContact CZ-CG 4.18Å; F1342-Q1346 WeakPolarHBondContact O-CB 3.35Å; F1342-Q1346 WeakPolarHBondContact O-CG 3.47Å; F1342-Q1346 PolarHBondContact O-N 3.25Å; F1342-M1353 HydrophobicContact CD2-CE 3.85Å; F1342-M1353 HydrophobicContact CE2-CE 3.55Å; F1342-V1356 WeakPolarHBondContact CZ-O 3.25Å; F1342-F1358 HydrophobicContact CB-CD2 4.03Å; F1342-F1358 HydrophobicContact CB-CE2 4.45Å; F1342-F1358 HydrophobicContact CD1-CB 4.06Å; F1342-F1358 AromaticContact CD1-CD2 3.87Å; F1342-F1358 HydrophobicContact CD1-CD2 3.87Å; F1342-F1358 HydrophobicContact CD1-CG 4.46Å; F1342-F1358 HydrophobicContact CE1-CB 3.81Å; F1342-F1358 HydrophobicContact CE1-CD2 4.47Å; F1342-F1358 AromaticContact CG-CD2 3.89Å; F1342-F1358 HydrophobicContact CG-CD2 3.89Å; F1342-F1358 HydrophobicContact CZ-CB 4.19Å; F1342-A1361 HydrophobicContact CD2-CB 3.75Å; F1342-A1361 HydrophobicContact CE2-CB 3.55Å
1343D93.5Very high89.5Confident86 Ų8646.4 Ų46.446%0.4624%0.242SC..Hα-helixtrans-63.4-40.8176.7-65.8-18.2000110.9R1339 H1340 Y1341 M1347R1339-D1343 WeakPolarHBondContact O-CB 3.06Å; R1339-D1343 PolarHBondContact O-N 3.26Å; H1340-D1343 PolarHBondContact O-N 3.47Å; Y1341-D1343 PolarHBondContact O-N 3.04Å; D1343-M1347 WeakPolarHBondContact O-CB 3.36Å; D1343-M1347 PolarHBondContact O-N 2.93Å
1344K94.3Very high88.5Confident47 Ų4750.8 Ų50.820%0.20427%0.273CS..Hα-helixtrans-68.1-44.5178.9-70-76.4-179.1148.10112.8E1189 A1192 H1340 Y1341 F1342 M1347 W1348E1189-K1344 VanDerWaalsContact CD-NZ 3.33Å; E1189-K1344 HydrophobicContact CG-CD 4.45Å; E1189-K1344 HydrophobicContact CG-CG 4.28Å; E1189-K1344 WeakPolarHBondContact OE1-CE 3.46Å; E1189-K1344 IonicContact OE1-NZ 2.73Å; E1189-K1344 PolarHBondContact OE1-NZ 2.69Å; E1189-K1344 IonicContact OE2-NZ 3.6Å; A1192-K1344 HydrophobicContact CB-CB 3.9Å; H1340-K1344 WeakPolarHBondContact O-CB 3.23Å; H1340-K1344 WeakPolarHBondContact O-CG 3.26Å; H1340-K1344 PolarHBondContact O-N 3.17Å; H1340-K1344 VanDerWaalsContact O-N 3.08Å; Y1341-K1344 PolarHBondContact O-N 2.97Å; F1342-K1344 VanDerWaalsContact C-N 3.34Å; F1342-K1344 PolarHBondContact O-N 3.19Å; K1344-M1347 HydrophobicContact CD-CE 3.94Å; K1344-M1347 WeakPolarHBondContact O-CB 3.41Å; K1344-M1347 PolarHBondContact O-N 3.26Å; K1344-W1348 HydrophobicContact CB-CE3 4.34Å; K1344-W1348 HydrophobicContact CB-CZ3 4.24Å; K1344-W1348 HydrophobicContact CD-CH2 4.36Å; K1344-W1348 HydrophobicContact CD-CZ2 4.41Å; K1344-W1348 PolarHBondContact O-N 3.21Å
1345I91.2Very high87.4Confident0 Ų053.9 Ų53.90%030%0.298CS..Hα-helixtrans-70.5-34.7178.4-162.7169.4000111.7A1192 Q1195 F1199 Y1341 F1342 M1347 W1348 A1349 M1353A1192-I1345 HydrophobicContact CB-CB 4.24Å; Q1195-I1345 HydrophobicContact CB-CD1 3.87Å; F1199-I1345 HydrophobicContact CE2-CD1 4.26Å; Y1341-I1345 HydrophobicContact CE1-CG2 4.24Å; Y1341-I1345 HydrophobicContact CE2-CD1 4.36Å; Y1341-I1345 WeakPolarHBondContact O-CG2 3.45Å; Y1341-I1345 PolarHBondContact O-N 2.79Å; Y1341-I1345 WeakPolarHBondContact OH-CD1 3.43Å; F1342-I1345 WeakPolarHBondContact O-CG2 3.17Å; I1345-M1347 VanDerWaalsContact C-N 3.32Å; I1345-M1347 PolarHBondContact O-N 3.39Å; I1345-W1348 PolarHBondContact O-N 2.85Å; I1345-A1349 CarbonylContact O-C 3.55Å; I1345-A1349 WeakPolarHBondContact O-CA 3.19Å; I1345-A1349 PolarHBondContact O-N 2.94Å; I1345-M1353 HydrophobicContact CG1-CG 4.33Å; I1345-M1353 HydrophobicContact CG2-CE 3.99Å; I1345-M1353 HydrophobicContact CG2-CG 4.16Å
1346Q88.1Confident86.9Confident72 Ų7249.1 Ų49.134%0.33628%0.277SS..Hα-helixtrans-63-38.8169.9-84.2-169.4-32.700112.1F1342 P1350 M1353F1342-Q1346 HydrophobicContact CD1-CG 4.35Å; F1342-Q1346 HydrophobicContact CE1-CG 3.98Å; F1342-Q1346 VanDerWaalsContact CE1-NE2 3.3Å; F1342-Q1346 VanDerWaalsContact CE1-OE1 3.3Å; F1342-Q1346 HydrophobicContact CZ-CG 4.18Å; F1342-Q1346 WeakPolarHBondContact O-CB 3.35Å; F1342-Q1346 WeakPolarHBondContact O-CG 3.47Å; F1342-Q1346 PolarHBondContact O-N 3.25Å; Q1346-P1350 WeakPolarHBondContact O-CA 3.41Å; Q1346-P1350 WeakPolarHBondContact O-CB 3.41Å; Q1346-P1350 WeakPolarHBondContact O-CD 3.29Å; Q1346-M1353 HydrophobicContact CG-CB 3.82Å
1347M89.4Confident86.5Confident118 Ų11847.5 Ų47.558%0.58127%0.272SS*.Hα-helixtrans-67.6-42.9177.3-176.4-178.571.300112.2D1343 K1344 I1345D1343-M1347 WeakPolarHBondContact O-CB 3.36Å; D1343-M1347 PolarHBondContact O-N 2.93Å; K1344-M1347 HydrophobicContact CD-CE 3.94Å; K1344-M1347 WeakPolarHBondContact O-CB 3.41Å; K1344-M1347 PolarHBondContact O-N 3.26Å; I1345-M1347 VanDerWaalsContact C-N 3.32Å; I1345-M1347 PolarHBondContact O-N 3.39Å
1348W91.8Very high86.3Confident94 Ų9448.6 Ų48.636%0.35628%0.277SS..Hα-helixtrans-86.4-24.3-176.8-68.5-31.9000114.5E1189 A1192 A1193 A1196 N1200 K1344 I1345E1189-W1348 WeakPolarHBondContact O-CZ3 3.41Å; A1192-W1348 HydrophobicContact CB-CE3 4.08Å; A1192-W1348 HydrophobicContact CB-CZ3 3.84Å; A1193-W1348 VanDerWaalsContact CA-CZ3 3.47Å; A1193-W1348 HydrophobicContact CB-CE3 4.17Å; A1193-W1348 HydrophobicContact CB-CH2 4.02Å; A1193-W1348 HydrophobicContact CB-CZ3 3.56Å; A1193-W1348 VanDerWaalsContact N-CZ3 3.31Å; A1196-W1348 HydrophobicContact CB-CB 3.51Å; A1196-W1348 HydrophobicContact CB-CE3 4.45Å; A1196-W1348 HydrophobicContact CB-CG 4.5Å; N1200-W1348 PolarHBondContact ND2-O 3.43Å; K1344-W1348 HydrophobicContact CB-CE3 4.34Å; K1344-W1348 HydrophobicContact CB-CZ3 4.24Å; K1344-W1348 HydrophobicContact CD-CH2 4.36Å; K1344-W1348 HydrophobicContact CD-CZ2 4.41Å; K1344-W1348 PolarHBondContact O-N 3.21Å; I1345-W1348 PolarHBondContact O-N 2.85Å
1349A86.7Confident85.9Confident1 Ų154.5 Ų54.51%0.00831%0.305CS..  trans-138.161.3179.600000111.8A1196 F1199 I1345 G1351 A1352 M1353A1196-A1349 HydrophobicContact CB-CB 4.1Å; F1199-A1349 HydrophobicContact CB-CB 4.31Å; F1199-A1349 HydrophobicContact CD2-CB 3.9Å; F1199-A1349 HydrophobicContact CG-CB 4.5Å; I1345-A1349 CarbonylContact O-C 3.55Å; I1345-A1349 WeakPolarHBondContact O-CA 3.19Å; I1345-A1349 PolarHBondContact O-N 2.94Å; A1349-G1351 VanDerWaalsContact C-N 3.27Å; A1349-G1351 PolarHBondContact O-N 3.38Å; A1349-A1352 HydrophobicContact CB-CB 4.41Å; A1349-A1352 PolarHBondContact O-N 3.44Å; A1349-M1353 PolarHBondContact O-N 3.11Å
1350P79.4Confident85.5Confident84 Ų8453.7 Ų53.755%0.54531%0.307SS..Hα-helixtrans-60.4-34.6-17322.5-33.2000113.4Q1346 A1352 S1354Q1346-P1350 WeakPolarHBondContact O-CA 3.41Å; Q1346-P1350 WeakPolarHBondContact O-CB 3.41Å; Q1346-P1350 WeakPolarHBondContact O-CD 3.29Å; P1350-A1352 PolarHBondContact O-N 2.83Å; P1350-S1354 WeakPolarHBondContact O-CB 3.47Å; P1350-S1354 PolarHBondContact O-N 3.22Å; P1350-S1354 VanDerWaalsContact O-N 3.12Å
1351G77.7Confident85.1Confident66 Ų6651.2 Ų51.268%0.6830%0.296SS*.Hα-helixtrans-68.3-32.1-179.300000114A1349A1349-G1351 VanDerWaalsContact C-N 3.27Å; A1349-G1351 PolarHBondContact O-N 3.38Å
1352A75.1Confident85Confident21 Ų2152.8 Ų52.817%0.17430%0.302CS..Hα-helixtrans-78.5-31.5-179.300000112.3F1199 A1349 P1350F1199-A1352 HydrophobicContact CB-CB 4.36Å; F1199-A1352 HydrophobicContact CD1-CB 3.73Å; F1199-A1352 HydrophobicContact CD2-CB 3.71Å; F1199-A1352 HydrophobicContact CE1-CB 3.83Å; F1199-A1352 HydrophobicContact CE2-CB 3.79Å; F1199-A1352 HydrophobicContact CG-CB 3.68Å; F1199-A1352 HydrophobicContact CZ-CB 3.85Å; A1349-A1352 HydrophobicContact CB-CB 4.41Å; A1349-A1352 PolarHBondContact O-N 3.44Å; P1350-A1352 PolarHBondContact O-N 2.83Å
1353M73.2Confident84.7Confident1 Ų157.3 Ų57.31%0.00532%0.323CS..Hα-helixtrans-101.4-3.2-174-64.4-63.4-73.100114.2V1270 F1342 I1345 Q1346 A1349 S1355 V1356V1270-M1353 HydrophobicContact CG1-SD 4.2Å; V1270-M1353 HydrophobicContact CG2-SD 4.33Å; F1342-M1353 HydrophobicContact CD2-CE 3.85Å; F1342-M1353 HydrophobicContact CE2-CE 3.55Å; I1345-M1353 HydrophobicContact CG1-CG 4.33Å; I1345-M1353 HydrophobicContact CG2-CE 3.99Å; I1345-M1353 HydrophobicContact CG2-CG 4.16Å; Q1346-M1353 HydrophobicContact CG-CB 3.82Å; A1349-M1353 PolarHBondContact O-N 3.11Å; M1353-S1355 PolarHBondContact O-N 3.18Å; M1353-S1355 VanDerWaalsContact O-N 3.12Å; M1353-V1356 PolarHBondContact O-N 2.95Å
1354S70.8Confident84.3Confident98 Ų9853.6 Ų53.669%0.68530%0.303SS*.THydrogen-bonded Turntrans-60.6-24.5-173.765.20000115.3P1350P1350-S1354 WeakPolarHBondContact O-CB 3.47Å; P1350-S1354 PolarHBondContact O-N 3.22Å; P1350-S1354 VanDerWaalsContact O-N 3.12Å
1355S70.6Confident84.1Confident92 Ų9251.4 Ų51.464%0.64329%0.293SS*.THydrogen-bonded Turntrans-91.5-3.6-176.948.90000114.1M1353M1353-S1355 PolarHBondContact O-N 3.18Å; M1353-S1355 VanDerWaalsContact O-N 3.12Å
1356V81.2Confident84Confident5 Ų555.4 Ų55.43%0.0331%0.312CS..  trans-119123.1-170.5-171.40000110V1269 V1270 F1342 M1353 I1360 A1361V1269-V1356 HydrophobicContact CG1-CB 4.43Å; V1269-V1356 HydrophobicContact CG1-CG1 4.1Å; V1269-V1356 HydrophobicContact CG1-CG2 3.51Å; V1269-V1356 WeakPolarHBondContact O-CG2 3.39Å; V1270-V1356 HydrophobicContact CG2-CG2 3.65Å; F1342-V1356 WeakPolarHBondContact CZ-O 3.25Å; M1353-V1356 PolarHBondContact O-N 2.95Å; V1356-I1360 HydrophobicContact CG1-CB 4.21Å; V1356-I1360 HydrophobicContact CG1-CG2 4.14Å; V1356-A1361 HydrophobicContact CG1-CB 3.99Å
1357S86.3Confident83.8Confident48 Ų4854.8 Ų54.834%0.33631%0.311SS..  trans-76.4154.7173.189.50000110.9E1359 I1360 A1361S1357-E1359 VanDerWaalsContact CB-OE2 3.29Å; S1357-E1359 WeakPolarHBondContact CB-OE2 3.13Å; S1357-E1359 PolarHBondContact O-N 3.35Å; S1357-E1359 PolarHBondContact OG-N 2.95Å; S1357-E1359 PolarHBondContact OG-OE2 3.4Å; S1357-I1360 PolarHBondContact O-N 3.38Å; S1357-I1360 PolarHBondContact OG-N 3.41Å; S1357-A1361 PolarHBondContact O-N 3.26Å
1358F89.5Confident83.6Confident24 Ų2450.1 Ų50.111%0.10529%0.291CS..Hα-helixtrans-53.2-40.1175.4170-99.3000111.9K1335 F1338 R1339 F1342 A1361 Y1362K1335-F1358 HydrophobicContact CG-CZ 4.2Å; F1338-F1358 HydrophobicContact CD1-CD2 4.47Å; F1338-F1358 AromaticContact CD1-CE2 3.78Å; F1338-F1358 HydrophobicContact CD1-CE2 3.78Å; F1338-F1358 HydrophobicContact CD1-CZ 4.45Å; F1338-F1358 HydrophobicContact CE1-CE2 4.25Å; R1339-F1358 VanDerWaalsContact CA-CE2 3.5Å; R1339-F1358 HydrophobicContact CB-CE2 3.69Å; R1339-F1358 HydrophobicContact CB-CZ 4Å; R1339-F1358 HydrophobicContact CG-CE2 4.22Å; R1339-F1358 VanDerWaalsContact NH2-CE1 3.27Å; F1342-F1358 HydrophobicContact CB-CD2 4.03Å; F1342-F1358 HydrophobicContact CB-CE2 4.45Å; F1342-F1358 HydrophobicContact CD1-CB 4.06Å; F1342-F1358 AromaticContact CD1-CD2 3.87Å; F1342-F1358 HydrophobicContact CD1-CD2 3.87Å; F1342-F1358 HydrophobicContact CD1-CG 4.46Å; F1342-F1358 HydrophobicContact CE1-CB 3.81Å; F1342-F1358 HydrophobicContact CE1-CD2 4.47Å; F1342-F1358 AromaticContact CG-CD2 3.89Å; F1342-F1358 HydrophobicContact CG-CD2 3.89Å; F1342-F1358 HydrophobicContact CZ-CB 4.19Å; F1358-A1361 PolarHBondContact O-N 3.23Å; F1358-Y1362 HydrophobicContact CZ-CD2 4.37Å; F1358-Y1362 HydrophobicContact CZ-CG 4.29Å; F1358-Y1362 WeakPolarHBondContact O-CB 3.48Å; F1358-Y1362 PolarHBondContact O-N 3.45Å
1359E88.6Confident83.4Confident126 Ų12646.1 Ų46.159%0.58928%0.277SS*.Hα-helixtrans-63.5-43.3-178.7-61.869.8-152.500111.7S1357 H1363S1357-E1359 VanDerWaalsContact CB-OE2 3.29Å; S1357-E1359 WeakPolarHBondContact CB-OE2 3.13Å; S1357-E1359 PolarHBondContact O-N 3.35Å; S1357-E1359 PolarHBondContact OG-N 2.95Å; S1357-E1359 PolarHBondContact OG-OE2 3.4Å; E1359-H1363 WeakPolarHBondContact O-CB 3.43Å; E1359-H1363 PolarHBondContact O-N 3.16Å
1360I85.8Confident83.3Confident87 Ų8752.1 Ų52.145%0.44630%0.303SS..Hα-helixtrans-66.5-48.4177.2-64.3172000109.4V1269 V1356 S1357 Y1362 H1363 I1364V1269-I1360 HydrophobicContact CG1-CG2 4.41Å; V1356-I1360 HydrophobicContact CG1-CB 4.21Å; V1356-I1360 HydrophobicContact CG1-CG2 4.14Å; S1357-I1360 PolarHBondContact O-N 3.38Å; S1357-I1360 PolarHBondContact OG-N 3.41Å; I1360-Y1362 VanDerWaalsContact C-N 3.34Å; I1360-Y1362 PolarHBondContact O-N 3.29Å; I1360-H1363 PolarHBondContact O-N 3.07Å; I1360-I1364 HydrophobicContact CG2-CD1 4.18Å; I1360-I1364 VanDerWaalsContact O-CG1 3.31Å; I1360-I1364 WeakPolarHBondContact O-CG1 3.27Å; I1360-I1364 PolarHBondContact O-N 3.35Å; I1360-I1364 VanDerWaalsContact O-N 3.08Å
1361A87.5Confident83.3Confident0 Ų051.1 Ų51.10%029%0.291CS..Hα-helixtrans-61.8-41.7-179.600000112.5F1313 F1338 F1342 V1356 S1357 F1358 H1363 I1364 F1365F1313-A1361 HydrophobicContact CE2-CB 4.21Å; F1313-A1361 HydrophobicContact CZ-CB 3.91Å; F1338-A1361 HydrophobicContact CE1-CB 4.09Å; F1338-A1361 HydrophobicContact CZ-CB 4.05Å; F1338-A1361 WeakPolarHBondContact CZ-O 3.24Å; F1342-A1361 HydrophobicContact CD2-CB 3.75Å; F1342-A1361 HydrophobicContact CE2-CB 3.55Å; V1356-A1361 HydrophobicContact CG1-CB 3.99Å; S1357-A1361 PolarHBondContact O-N 3.26Å; F1358-A1361 PolarHBondContact O-N 3.23Å; A1361-H1363 VanDerWaalsContact C-N 3.35Å; A1361-I1364 WeakPolarHBondContact O-CB 3.25Å; A1361-I1364 PolarHBondContact O-N 3.49Å; A1361-F1365 PolarHBondContact O-N 3.48Å
1362Y91.6Very high83.6Confident33 Ų3348.3 Ų48.313%0.12926%0.261CS..Hα-helixtrans-65.4-38.6177.5-176.2-111.1000111.8M1334 K1335 F1338 F1358 I1360 I1364 F1365 E1366M1334-Y1362 HydrophobicContact CE-CE2 4.48Å; M1334-Y1362 VanDerWaalsContact CE-OH 3.25Å; M1334-Y1362 WeakPolarHBondContact CE-OH 3.42Å; M1334-Y1362 HydrophobicContact CG-CE2 4.46Å; K1335-Y1362 HydrophobicContact CB-CE2 4.02Å; K1335-Y1362 WeakPolarHBondContact CB-OH 3.47Å; K1335-Y1362 HydrophobicContact CD-CE1 4.32Å; K1335-Y1362 HydrophobicContact CG-CE1 4.2Å; K1335-Y1362 HydrophobicContact CG-CE2 4.02Å; F1338-Y1362 HydrophobicContact CB-CD2 4.04Å; F1338-Y1362 HydrophobicContact CB-CE2 4.22Å; F1338-Y1362 AromaticContact CD1-CD2 3.49Å; F1338-Y1362 HydrophobicContact CD1-CD2 3.49Å; F1338-Y1362 VanDerWaalsContact CD1-CD2 3.49Å; F1338-Y1362 HydrophobicContact CD1-CE2 4.46Å; F1338-Y1362 HydrophobicContact CD1-CG 4.23Å; F1338-Y1362 VanDerWaalsContact CE1-CA 3.45Å; F1338-Y1362 HydrophobicContact CE1-CD2 4.18Å; F1338-Y1362 AromaticContact CG-CD2 3.89Å; F1338-Y1362 HydrophobicContact CG-CD2 3.89Å; F1358-Y1362 HydrophobicContact CZ-CD2 4.37Å; F1358-Y1362 HydrophobicContact CZ-CG 4.29Å; F1358-Y1362 WeakPolarHBondContact O-CB 3.48Å; F1358-Y1362 PolarHBondContact O-N 3.45Å; I1360-Y1362 VanDerWaalsContact C-N 3.34Å; I1360-Y1362 PolarHBondContact O-N 3.29Å; Y1362-I1364 VanDerWaalsContact C-N 3.34Å; Y1362-I1364 PolarHBondContact O-N 3.45Å; Y1362-F1365 AromaticContact CD2-CD1 3.97Å; Y1362-F1365 HydrophobicContact CD2-CD1 3.97Å; Y1362-F1365 HydrophobicContact CE2-CD1 4.01Å; Y1362-F1365 HydrophobicContact CE2-CE1 4.29Å; Y1362-F1365 PolarHBondContact O-N 2.73Å; Y1362-E1366 WeakPolarHBondContact O-CB 3.33Å; Y1362-E1366 PolarHBondContact O-N 2.85Å
1363H86.6Confident84Confident101 Ų10148.9 Ų48.947%0.46827%0.266SS..Hα-helixtrans-64.9-38.1175.7-171.260.9000112.3E1359 I1360 A1361 E1366 N1367E1359-H1363 WeakPolarHBondContact O-CB 3.43Å; E1359-H1363 PolarHBondContact O-N 3.16Å; I1360-H1363 PolarHBondContact O-N 3.07Å; A1361-H1363 VanDerWaalsContact C-N 3.35Å; H1363-E1366 PolarHBondContact O-N 3.24Å; H1363-N1367 PolarHBondContact NE2-ND2 3.13Å; H1363-N1367 WeakPolarHBondContact O-CB 3.39Å; H1363-N1367 PolarHBondContact O-N 3.47Å; H1363-N1367 PolarHBondContact O-ND2 3.29Å
1364I85.8Confident84.4Confident7 Ų750 Ų504%0.03627%0.271CS..Hα-helixtrans-61.6-46.9173.1-62.2171.8000110.2Y1266 F1313 A1314 I1360 A1361 Y1362 N1367 A1368Y1266-I1364 HydrophobicContact CD1-CB 4.45Å; Y1266-I1364 HydrophobicContact CD1-CD1 3.77Å; Y1266-I1364 HydrophobicContact CD1-CG1 3.67Å; Y1266-I1364 HydrophobicContact CD1-CG2 4.03Å; Y1266-I1364 HydrophobicContact CD2-CG2 4.47Å; Y1266-I1364 HydrophobicContact CE1-CB 4.25Å; Y1266-I1364 HydrophobicContact CE1-CD1 4.18Å; Y1266-I1364 HydrophobicContact CE1-CG1 3.55Å; Y1266-I1364 HydrophobicContact CE1-CG2 4.08Å; Y1266-I1364 HydrophobicContact CE2-CG2 4.49Å; Y1266-I1364 HydrophobicContact CG-CG2 4.25Å; F1313-I1364 HydrophobicContact CE1-CD1 4.08Å; F1313-I1364 HydrophobicContact CE1-CG2 4.28Å; F1313-I1364 HydrophobicContact CZ-CB 4.11Å; F1313-I1364 HydrophobicContact CZ-CD1 4.14Å; F1313-I1364 HydrophobicContact CZ-CG2 4.09Å; A1314-I1364 HydrophobicContact CB-CG2 4.13Å; I1360-I1364 HydrophobicContact CG2-CD1 4.18Å; I1360-I1364 VanDerWaalsContact O-CG1 3.31Å; I1360-I1364 WeakPolarHBondContact O-CG1 3.27Å; I1360-I1364 PolarHBondContact O-N 3.35Å; I1360-I1364 VanDerWaalsContact O-N 3.08Å; A1361-I1364 WeakPolarHBondContact O-CB 3.25Å; A1361-I1364 PolarHBondContact O-N 3.49Å; Y1362-I1364 VanDerWaalsContact C-N 3.34Å; Y1362-I1364 PolarHBondContact O-N 3.45Å; I1364-N1367 PolarHBondContact O-N 3.34Å; I1364-A1368 WeakPolarHBondContact O-CB 3.32Å; I1364-A1368 PolarHBondContact O-N 3.04Å
1365F90.3Very high84.8Confident1 Ų145.7 Ų45.70%0.00424%0.241CC..Hα-helixtrans-62.6-43.9177.9167.8-113.5000113.1A1314 L1317 A1318 Y1321 M1334 F1338 A1361 Y1362 N1367 A1368 V1369A1314-F1365 HydrophobicContact CB-CB 4.19Å; A1314-F1365 HydrophobicContact CB-CD2 4.48Å; L1317-F1365 HydrophobicContact CB-CD2 4.33Å; L1317-F1365 HydrophobicContact CB-CE2 3.73Å; A1318-F1365 HydrophobicContact CB-CD2 4.27Å; A1318-F1365 HydrophobicContact CB-CE2 4.23Å; Y1321-F1365 HydrophobicContact CD2-CE2 4.35Å; Y1321-F1365 AromaticContact CD2-CZ 3.68Å; Y1321-F1365 HydrophobicContact CD2-CZ 3.68Å; Y1321-F1365 HydrophobicContact CE2-CZ 4.1Å; Y1321-F1365 HydrophobicContact CG-CZ 4.31Å; M1334-F1365 HydrophobicContact CG-CD1 4.46Å; M1334-F1365 HydrophobicContact CG-CE1 3.44Å; M1334-F1365 VanDerWaalsContact CG-CE1 3.44Å; M1334-F1365 HydrophobicContact CG-CZ 3.99Å; M1334-F1365 HydrophobicContact SD-CE1 4.2Å; F1338-F1365 HydrophobicContact CB-CD1 3.89Å; F1338-F1365 HydrophobicContact CB-CE1 3.74Å; F1338-F1365 HydrophobicContact CD1-CD1 4.33Å; F1338-F1365 HydrophobicContact CD2-CB 3.76Å; F1338-F1365 AromaticContact CD2-CD1 3.31Å; F1338-F1365 HydrophobicContact CD2-CD1 3.31Å; F1338-F1365 AromaticContact CD2-CD2 3.81Å; F1338-F1365 HydrophobicContact CD2-CD2 3.81Å; F1338-F1365 AromaticContact CD2-CE1 3.74Å; F1338-F1365 HydrophobicContact CD2-CE1 3.74Å; F1338-F1365 HydrophobicContact CD2-CE2 4.22Å; F1338-F1365 AromaticContact CD2-CG 3.33Å; F1338-F1365 HydrophobicContact CD2-CG 3.33Å; F1338-F1365 HydrophobicContact CD2-CZ 4.19Å; F1338-F1365 HydrophobicContact CE1-CB 4.44Å; F1338-F1365 HydrophobicContact CE2-CB 3.36Å; F1338-F1365 AromaticContact CE2-CD1 3.9Å; F1338-F1365 HydrophobicContact CE2-CD1 3.9Å; F1338-F1365 AromaticContact CE2-CD2 3.97Å; F1338-F1365 HydrophobicContact CE2-CD2 3.97Å; F1338-F1365 AromaticContact CE2-CG 3.48Å; F1338-F1365 HydrophobicContact CE2-CG 3.48Å; F1338-F1365 VanDerWaalsContact CE2-CG 3.48Å; F1338-F1365 HydrophobicContact CG-CB 4.43Å; F1338-F1365 AromaticContact CG-CD1 3.56Å; F1338-F1365 HydrophobicContact CG-CD1 3.56Å; F1338-F1365 AromaticContact CG-CE1 3.92Å; F1338-F1365 HydrophobicContact CG-CE1 3.92Å; F1338-F1365 HydrophobicContact CG-CG 4.04Å; F1338-F1365 HydrophobicContact CZ-CB 3.74Å; F1338-F1365 HydrophobicContact CZ-CG 4.27Å; A1361-F1365 PolarHBondContact O-N 3.48Å; Y1362-F1365 AromaticContact CD2-CD1 3.97Å; Y1362-F1365 HydrophobicContact CD2-CD1 3.97Å; Y1362-F1365 HydrophobicContact CE2-CD1 4.01Å; Y1362-F1365 HydrophobicContact CE2-CE1 4.29Å; Y1362-F1365 PolarHBondContact O-N 2.73Å; F1365-N1367 VanDerWaalsContact C-N 3.33Å; F1365-N1367 PolarHBondContact O-N 2.94Å; F1365-A1368 WeakPolarHBondContact O-CB 3.32Å; F1365-A1368 PolarHBondContact O-N 3.14Å; F1365-A1368 VanDerWaalsContact O-N 3.11Å; F1365-V1369 HydrophobicContact CD2-CG2 4.06Å; F1365-V1369 HydrophobicContact CE1-CG2 4.22Å; F1365-V1369 HydrophobicContact CE2-CG2 3.59Å; F1365-V1369 HydrophobicContact CZ-CG2 3.69Å; F1365-V1369 WeakPolarHBondContact O-CG2 3.43Å; F1365-V1369 PolarHBondContact O-N 2.95Å
1366E88.5Confident85.1Confident84 Ų8444.3 Ų44.339%0.39323%0.226SC..Hα-helixtrans-60.8-42.4176.6-171.7175.5-158.200111.5M1334 Y1362 H1363 A1368 V1369 F1370M1334-E1366 HydrophobicContact CE-CG 4.18Å; Y1362-E1366 WeakPolarHBondContact O-CB 3.33Å; Y1362-E1366 PolarHBondContact O-N 2.85Å; H1363-E1366 PolarHBondContact O-N 3.24Å; E1366-A1368 PolarHBondContact O-N 3.4Å; E1366-V1369 PolarHBondContact O-N 3.01Å; E1366-F1370 PolarHBondContact O-N 3.26Å
1367N83.8Confident84.9Confident59 Ų5945.8 Ų45.832%0.31624%0.235SC..Hα-helixtrans-63.8-39.1173.4-74.9-31.1000112.2Y1266 H1363 I1364 F1365 F1370 H1371Y1266-N1367 PolarHBondContact OH-ND2 2.83Å; H1363-N1367 PolarHBondContact NE2-ND2 3.13Å; H1363-N1367 WeakPolarHBondContact O-CB 3.39Å; H1363-N1367 PolarHBondContact O-N 3.47Å; H1363-N1367 PolarHBondContact O-ND2 3.29Å; I1364-N1367 PolarHBondContact O-N 3.34Å; F1365-N1367 VanDerWaalsContact C-N 3.33Å; F1365-N1367 PolarHBondContact O-N 2.94Å; N1367-F1370 PolarHBondContact O-N 3.41Å; N1367-H1371 PolarHBondContact O-N 3.17Å
1368A85Confident84.3Confident20 Ų2043.6 Ų43.617%0.16522%0.219CC..Hα-helixtrans-67-38.8176.200000112.1A1314 A1318 I1364 F1365 E1366 H1371 N1372A1314-A1368 HydrophobicContact CB-CB 4Å; A1318-A1368 HydrophobicContact CB-CB 3.59Å; I1364-A1368 WeakPolarHBondContact O-CB 3.32Å; I1364-A1368 PolarHBondContact O-N 3.04Å; F1365-A1368 WeakPolarHBondContact O-CB 3.32Å; F1365-A1368 PolarHBondContact O-N 3.14Å; F1365-A1368 VanDerWaalsContact O-N 3.11Å; E1366-A1368 PolarHBondContact O-N 3.4Å; A1368-H1371 PolarHBondContact O-N 3.36Å; A1368-N1372 WeakPolarHBondContact O-CB 3.41Å; A1368-N1372 PolarHBondContact O-N 3.13Å; A1368-N1372 PolarHBondContact O-ND2 3.31Å
1369V87.8Confident83.4Confident11 Ų1145.9 Ų45.97%0.06723%0.228CC..Hα-helixtrans-62-47173.2170.90000109.6A1318 S1322 M1334 F1365 E1366 H1371 N1372 A1373A1318-V1369 HydrophobicContact CB-CG2 3.87Å; S1322-V1369 PolarHBondContact OG-O 2.92Å; S1322-V1369 VanDerWaalsContact OG-O 3.06Å; M1334-V1369 HydrophobicContact SD-CG1 4.25Å; M1334-V1369 HydrophobicContact SD-CG2 4.24Å; F1365-V1369 HydrophobicContact CD2-CG2 4.06Å; F1365-V1369 HydrophobicContact CE1-CG2 4.22Å; F1365-V1369 HydrophobicContact CE2-CG2 3.59Å; F1365-V1369 HydrophobicContact CZ-CG2 3.69Å; F1365-V1369 WeakPolarHBondContact O-CG2 3.43Å; F1365-V1369 PolarHBondContact O-N 2.95Å; E1366-V1369 PolarHBondContact O-N 3.01Å; V1369-H1371 PolarHBondContact O-N 3.21Å; V1369-N1372 PolarHBondContact O-N 2.82Å; V1369-A1373 WeakPolarHBondContact O-CB 3.43Å; V1369-A1373 PolarHBondContact O-N 3Å
1370F83.5Confident82.3Confident127 Ų12742.1 Ų42.156%0.55722%0.218SC*.Hα-helixtrans-57.8-48177.2179.3-99.8000111.9E1366 N1367 A1373 L1374E1366-F1370 PolarHBondContact O-N 3.26Å; N1367-F1370 PolarHBondContact O-N 3.41Å; F1370-A1373 PolarHBondContact O-N 2.95Å; F1370-L1374 HydrophobicContact CD1-CD1 4.16Å; F1370-L1374 HydrophobicContact CE1-CD1 3.51Å; F1370-L1374 HydrophobicContact CE1-CG 4.2Å; F1370-L1374 HydrophobicContact CZ-CD1 3.76Å; F1370-L1374 HydrophobicContact CZ-CD2 4.41Å; F1370-L1374 HydrophobicContact CZ-CG 4.2Å; F1370-L1374 WeakPolarHBondContact O-CG 3.36Å; F1370-L1374 PolarHBondContact O-N 3.31Å
1371H80.4Confident81.3Confident63 Ų6338 Ų3829%0.29220%0.197SC..Hα-helixtrans-60.8-47.9177.5-170.9-73.9000111.8N1367 A1368 V1369 A1373 L1374 T1375N1367-H1371 PolarHBondContact O-N 3.17Å; A1368-H1371 PolarHBondContact O-N 3.36Å; V1369-H1371 PolarHBondContact O-N 3.21Å; H1371-A1373 VanDerWaalsContact C-N 3.31Å; H1371-A1373 PolarHBondContact O-N 2.96Å; H1371-L1374 PolarHBondContact O-N 3.49Å; H1371-T1375 PolarHBondContact ND1-OG1 3.19Å; H1371-T1375 PolarHBondContact O-N 3.19Å; H1371-T1375 PolarHBondContact O-OG1 3.14Å
1372N84.5Confident79.9Confident7 Ų742.1 Ų42.14%0.03721%0.213CC..Hα-helixtrans-63.6-34.7178.1-82.8-79.2000112.6R1319 S1322 Y1323 A1368 V1369 T1375 L1376R1319-N1372 PolarHBondContact NE-OD1 2.89Å; R1319-N1372 PolarHBondContact NH2-OD1 2.78Å; S1322-N1372 WeakPolarHBondContact OG-CB 3.41Å; Y1323-N1372 HydrophobicContact CE2-CB 4.43Å; A1368-N1372 WeakPolarHBondContact O-CB 3.41Å; A1368-N1372 PolarHBondContact O-N 3.13Å; A1368-N1372 PolarHBondContact O-ND2 3.31Å; V1369-N1372 PolarHBondContact O-N 2.82Å; N1372-T1375 PolarHBondContact O-N 3.41Å; N1372-L1376 WeakPolarHBondContact O-CB 3.47Å; N1372-L1376 PolarHBondContact O-N 2.74Å
1373A83.4Confident78Confident33 Ų3346.3 Ų46.327%0.27323%0.232SC..Hα-helixtrans-66.2-40.9175.600000111.5S1322 V1369 F1370 H1371 L1376 V1377S1322-A1373 PolarHBondContact OG-N 3.11Å; V1369-A1373 WeakPolarHBondContact O-CB 3.43Å; V1369-A1373 PolarHBondContact O-N 3Å; F1370-A1373 PolarHBondContact O-N 2.95Å; H1371-A1373 VanDerWaalsContact C-N 3.31Å; H1371-A1373 PolarHBondContact O-N 2.96Å; A1373-L1376 WeakPolarHBondContact O-CB 3.25Å; A1373-L1376 PolarHBondContact O-N 3.15Å; A1373-V1377 WeakPolarHBondContact O-CG2 3.31Å; A1373-V1377 PolarHBondContact O-N 3.32Å
1374L81.3Confident76.1Confident24 Ų2442.3 Ų42.313%0.12622%0.216CC..Hα-helixtrans-63.7-43.1172.4-66.9-174.2000111.6I1249 A1252 L1253 F1370 H1371 L1376 V1377 V1378I1249-L1374 HydrophobicContact CD1-CD2 3.82Å; I1249-L1374 HydrophobicContact CG1-CD2 3.85Å; I1249-L1374 HydrophobicContact CG2-CB 4.48Å; I1249-L1374 HydrophobicContact CG2-CD2 4.46Å; A1252-L1374 HydrophobicContact CB-CD1 3.96Å; L1253-L1374 HydrophobicContact CD1-CB 4.18Å; L1253-L1374 HydrophobicContact CD2-CB 4.01Å; L1253-L1374 HydrophobicContact CG-CB 4.2Å; F1370-L1374 HydrophobicContact CD1-CD1 4.16Å; F1370-L1374 HydrophobicContact CE1-CD1 3.51Å; F1370-L1374 HydrophobicContact CE1-CG 4.2Å; F1370-L1374 HydrophobicContact CZ-CD1 3.76Å; F1370-L1374 HydrophobicContact CZ-CD2 4.41Å; F1370-L1374 HydrophobicContact CZ-CG 4.2Å; F1370-L1374 WeakPolarHBondContact O-CG 3.36Å; F1370-L1374 PolarHBondContact O-N 3.31Å; H1371-L1374 PolarHBondContact O-N 3.49Å; L1374-L1376 VanDerWaalsContact C-N 3.28Å; L1374-L1376 PolarHBondContact O-N 3.5Å; L1374-V1377 WeakPolarHBondContact O-CB 3.48Å; L1374-V1377 PolarHBondContact O-N 3.42Å; L1374-V1378 PolarHBondContact O-N 2.7Å
1375T77.7Confident74.1Confident8 Ų844.4 Ų44.45%0.04923%0.227CC..Hα-helixtrans-61.7-37.6174.3-45.60000111.4H1371 N1372 V1377 V1378 Y1379H1371-T1375 PolarHBondContact ND1-OG1 3.19Å; H1371-T1375 PolarHBondContact O-N 3.19Å; H1371-T1375 PolarHBondContact O-OG1 3.14Å; N1372-T1375 PolarHBondContact O-N 3.41Å; T1375-V1377 PolarHBondContact O-N 2.9Å; T1375-V1378 WeakPolarHBondContact O-CB 3.39Å; T1375-V1378 PolarHBondContact O-N 2.9Å; T1375-V1378 VanDerWaalsContact O-N 3.16Å; T1375-Y1379 HydrophobicContact CG2-CD2 3.88Å; T1375-Y1379 HydrophobicContact CG2-CE2 3.46Å; T1375-Y1379 VanDerWaalsContact CG2-CE2 3.46Å; T1375-Y1379 WeakPolarHBondContact O-CD2 3.4Å; T1375-Y1379 PolarHBondContact O-N 3.01Å
1376L79Confident71.7Confident62 Ų6251.4 Ų51.433%0.32526%0.258SS..Hα-helixtrans-64.5-37.9175.1-176.463.5000112S1322 Y1323 N1372 A1373 L1374 V1378 Y1379 A1380S1322-L1376 WeakPolarHBondContact O-CD2 3.35Å; Y1323-L1376 HydrophobicContact CD2-CB 4.01Å; Y1323-L1376 HydrophobicContact CD2-CD1 3.87Å; Y1323-L1376 HydrophobicContact CD2-CD2 4Å; Y1323-L1376 HydrophobicContact CD2-CG 4.18Å; Y1323-L1376 HydrophobicContact CE2-CB 3.73Å; Y1323-L1376 HydrophobicContact CE2-CD1 4.05Å; Y1323-L1376 HydrophobicContact CE2-CG 4.32Å; Y1323-L1376 HydrophobicContact CG-CD1 4.24Å; N1372-L1376 WeakPolarHBondContact O-CB 3.47Å; N1372-L1376 PolarHBondContact O-N 2.74Å; A1373-L1376 WeakPolarHBondContact O-CB 3.25Å; A1373-L1376 PolarHBondContact O-N 3.15Å; L1374-L1376 VanDerWaalsContact C-N 3.28Å; L1374-L1376 PolarHBondContact O-N 3.5Å; L1376-V1378 VanDerWaalsContact C-N 3.25Å; L1376-V1378 PolarHBondContact O-N 3.3Å; L1376-Y1379 PolarHBondContact O-N 3.11Å; L1376-A1380 WeakPolarHBondContact O-CB 3.49Å; L1376-A1380 PolarHBondContact O-N 3.49Å
1377V76.6Confident69.2Low37 Ų3751.3 Ų51.322%0.22426%0.26CS..Hα-helixtrans-60.1-41.5173.5174.40000110.1L1230 V1244 I1249 A1373 L1374 T1375 A1380 T1381L1230-V1377 HydrophobicContact CD1-CG1 3.81Å; V1244-V1377 HydrophobicContact CG1-CG1 4.12Å; V1244-V1377 HydrophobicContact CG2-CG1 4.41Å; I1249-V1377 HydrophobicContact CD1-CG1 4.17Å; A1373-V1377 WeakPolarHBondContact O-CG2 3.31Å; A1373-V1377 PolarHBondContact O-N 3.32Å; L1374-V1377 WeakPolarHBondContact O-CB 3.48Å; L1374-V1377 PolarHBondContact O-N 3.42Å; T1375-V1377 PolarHBondContact O-N 2.9Å; V1377-A1380 PolarHBondContact O-N 3.37Å; V1377-T1381 WeakPolarHBondContact O-CG2 3.27Å; V1377-T1381 PolarHBondContact O-N 3.42Å
1378V72.9Confident66.9Low1 Ų149.2 Ų49.21%0.00625%0.251CS..Hα-helixtrans-65.7-46.9175.8175.90000111.8L1223 I1226 I1249 L1253 L1374 T1375 L1376 A1380 T1381 Y1382L1223-V1378 HydrophobicContact CD2-CG1 4.42Å; I1226-V1378 HydrophobicContact CD1-CG1 3.8Å; I1226-V1378 HydrophobicContact CD1-CG2 4.06Å; I1226-V1378 HydrophobicContact CG1-CG1 3.63Å; I1226-V1378 HydrophobicContact CG1-CG2 4.33Å; I1226-V1378 HydrophobicContact CG2-CG1 4.17Å; I1226-V1378 HydrophobicContact CG2-CG2 3.58Å; I1249-V1378 HydrophobicContact CG2-CG2 4.33Å; L1253-V1378 HydrophobicContact CD1-CG2 3.56Å; L1374-V1378 PolarHBondContact O-N 2.7Å; T1375-V1378 WeakPolarHBondContact O-CB 3.39Å; T1375-V1378 PolarHBondContact O-N 2.9Å; T1375-V1378 VanDerWaalsContact O-N 3.16Å; L1376-V1378 VanDerWaalsContact C-N 3.25Å; L1376-V1378 PolarHBondContact O-N 3.3Å; V1378-A1380 VanDerWaalsContact C-N 3.29Å; V1378-A1380 PolarHBondContact O-N 3.19Å; V1378-T1381 WeakPolarHBondContact CA-OG1 3.5Å; V1378-T1381 CarbonylContact O-C 3.56Å; V1378-T1381 WeakPolarHBondContact O-CA 3.47Å; V1378-T1381 PolarHBondContact O-N 3.48Å; V1378-T1381 PolarHBondContact O-OG1 2.89Å; V1378-Y1382 HydrophobicContact CG1-CD2 4.17Å; V1378-Y1382 HydrophobicContact CG1-CE2 4.47Å; V1378-Y1382 PolarHBondContact O-N 3.42Å
1379Y70.5Confident64.6Low72 Ų7258.3 Ų58.328%0.28228%0.281SS..Hα-helixtrans-60.5-42.1174.3-75-45.8000111Y1323 T1375 L1376 T1381 Y1382 F1383Y1323-Y1379 WeakPolarHBondContact OH-CD2 3.38Å; Y1323-Y1379 WeakPolarHBondContact OH-CE2 3.47Å; T1375-Y1379 HydrophobicContact CG2-CD2 3.88Å; T1375-Y1379 HydrophobicContact CG2-CE2 3.46Å; T1375-Y1379 VanDerWaalsContact CG2-CE2 3.46Å; T1375-Y1379 WeakPolarHBondContact O-CD2 3.4Å; T1375-Y1379 PolarHBondContact O-N 3.01Å; L1376-Y1379 PolarHBondContact O-N 3.11Å; Y1379-T1381 PolarHBondContact O-N 2.86Å; Y1379-Y1382 CarbonylContact O-C 3.59Å; Y1379-Y1382 WeakPolarHBondContact O-CB 3.34Å; Y1379-Y1382 PolarHBondContact O-N 3.13Å; Y1379-Y1382 VanDerWaalsContact O-N 3.12Å; Y1379-F1383 VanDerWaalsContact O-CB 3.31Å; Y1379-F1383 WeakPolarHBondContact O-CB 3.34Å; Y1379-F1383 WeakPolarHBondContact O-CD2 3.35Å; Y1379-F1383 WeakPolarHBondContact O-CG 3.38Å; Y1379-F1383 PolarHBondContact O-N 3.33Å
1380A65.2Low61.9Low47 Ų4763.4 Ų63.439%0.38831%0.308SS..Hα-helixtrans-61.5-28.5174.700000111.6L1376 V1377 V1378 F1383 S1384L1376-A1380 WeakPolarHBondContact O-CB 3.49Å; L1376-A1380 PolarHBondContact O-N 3.49Å; V1377-A1380 PolarHBondContact O-N 3.37Å; V1378-A1380 VanDerWaalsContact C-N 3.29Å; V1378-A1380 PolarHBondContact O-N 3.19Å; A1380-F1383 CarbonylContact O-C 3.33Å; A1380-S1384 WeakPolarHBondContact O-CA 3.18Å; A1380-S1384 WeakPolarHBondContact O-CB 3.39Å; A1380-S1384 PolarHBondContact O-N 3.36Å; A1380-S1384 PolarHBondContact O-OG 2.9Å
1381T65.2Low59.6Low0 Ų060.7 Ų60.70%030%0.299CS..Hα-helixtrans-78.7-37.2170.558.50000114.3L1230 S1233 L1241 V1377 V1378 Y1379 F1383 S1384 D1385L1230-T1381 HydrophobicContact CD1-CG2 3.3Å; L1230-T1381 HydrophobicContact CG-CG2 4.45Å; S1233-T1381 VanDerWaalsContact CB-CG2 3.41Å; S1233-T1381 WeakPolarHBondContact OG-CB 3.24Å; L1241-T1381 HydrophobicContact CD1-CG2 4.05Å; V1377-T1381 WeakPolarHBondContact O-CG2 3.27Å; V1377-T1381 PolarHBondContact O-N 3.42Å; V1378-T1381 WeakPolarHBondContact CA-OG1 3.5Å; V1378-T1381 CarbonylContact O-C 3.56Å; V1378-T1381 WeakPolarHBondContact O-CA 3.47Å; V1378-T1381 PolarHBondContact O-N 3.48Å; V1378-T1381 PolarHBondContact O-OG1 2.89Å; Y1379-T1381 PolarHBondContact O-N 2.86Å; T1381-F1383 VanDerWaalsContact C-N 3.3Å; T1381-F1383 PolarHBondContact O-N 2.89Å; T1381-S1384 VanDerWaalsContact CA-OG 3.31Å; T1381-S1384 WeakPolarHBondContact CA-OG 3.5Å; T1381-S1384 PolarHBondContact O-N 3.49Å; T1381-S1384 PolarHBondContact O-OG 3.44Å; T1381-S1384 VanDerWaalsContact O-OG 3.14Å; T1381-D1385 WeakPolarHBondContact O-CB 3.18Å; T1381-D1385 PolarHBondContact O-N 2.94Å
1382Y57.7Low57.2Low87 Ų8760.2 Ų60.234%0.34130%0.301SS..Hα-helixtrans-60.8-44.5170-101.5-87000110.6L1222 Q1229 V1378 Y1379 F1386L1222-Y1382 PolarHBondContact O-OH 3Å; Q1229-Y1382 PolarHBondContact NE2-OH 3.42Å; Q1229-Y1382 PolarHBondContact OE1-OH 2.97Å; V1378-Y1382 HydrophobicContact CG1-CD2 4.17Å; V1378-Y1382 HydrophobicContact CG1-CE2 4.47Å; V1378-Y1382 PolarHBondContact O-N 3.42Å; Y1379-Y1382 CarbonylContact O-C 3.59Å; Y1379-Y1382 WeakPolarHBondContact O-CB 3.34Å; Y1379-Y1382 PolarHBondContact O-N 3.13Å; Y1379-Y1382 VanDerWaalsContact O-N 3.12Å; Y1382-F1386 VanDerWaalsContact O-CB 3.23Å; Y1382-F1386 WeakPolarHBondContact O-CB 3.06Å; Y1382-F1386 PolarHBondContact O-N 3.47Å
1383F52.4Low54.6Low121 Ų12162.9 Ų62.953%0.53132%0.318SS..Hα-helixtrans-72.6-32.7174.6-70.1-61.9000111.2Y1379 A1380 T1381 F1386 L1387Y1379-F1383 VanDerWaalsContact O-CB 3.31Å; Y1379-F1383 WeakPolarHBondContact O-CB 3.34Å; Y1379-F1383 WeakPolarHBondContact O-CD2 3.35Å; Y1379-F1383 WeakPolarHBondContact O-CG 3.38Å; Y1379-F1383 PolarHBondContact O-N 3.33Å; A1380-F1383 CarbonylContact O-C 3.33Å; T1381-F1383 VanDerWaalsContact C-N 3.3Å; T1381-F1383 PolarHBondContact O-N 2.89Å; F1383-F1386 CarbonylContact O-C 3.57Å; F1383-F1386 WeakPolarHBondContact O-CA 3.05Å; F1383-F1386 PolarHBondContact O-N 2.83Å; F1383-L1387 HydrophobicContact CB-CD1 4.37Å; F1383-L1387 WeakPolarHBondContact O-CA 3.45Å; F1383-L1387 WeakPolarHBondContact O-CB 3.48Å; F1383-L1387 WeakPolarHBondContact O-CD1 3.36Å; F1383-L1387 WeakPolarHBondContact O-CG 3.43Å; F1383-L1387 PolarHBondContact O-N 3.08Å
1384S46.6Very low52.2Low18 Ų1866.9 Ų66.913%0.12633%0.332CS..Hα-helixtrans-71.9-35.8175.573.80000110.9S1233 A1380 T1381 F1386 L1387 A1388S1233-S1384 PolarHBondContact OG-OG 2.65Å; A1380-S1384 WeakPolarHBondContact O-CA 3.18Å; A1380-S1384 WeakPolarHBondContact O-CB 3.39Å; A1380-S1384 PolarHBondContact O-N 3.36Å; A1380-S1384 PolarHBondContact O-OG 2.9Å; T1381-S1384 VanDerWaalsContact CA-OG 3.31Å; T1381-S1384 WeakPolarHBondContact CA-OG 3.5Å; T1381-S1384 PolarHBondContact O-N 3.49Å; T1381-S1384 PolarHBondContact O-OG 3.44Å; T1381-S1384 VanDerWaalsContact O-OG 3.14Å; S1384-F1386 VanDerWaalsContact C-N 3.29Å; S1384-L1387 CarbonylContact O-C 3.53Å; S1384-L1387 PolarHBondContact O-N 3.49Å; S1384-A1388 VanDerWaalsContact O-CA 3.27Å; S1384-A1388 WeakPolarHBondContact O-CA 3.14Å; S1384-A1388 WeakPolarHBondContact O-CB 3.38Å; S1384-A1388 PolarHBondContact O-N 3.27Å
1385D44Very low49.7Very low50 Ų5072.9 Ų72.927%0.26736%0.36SS..Hα-helixtrans-72.5-25.8170-82-18.9000111.6T1381 R1389T1381-D1385 WeakPolarHBondContact O-CB 3.18Å; T1381-D1385 PolarHBondContact O-N 2.94Å; D1385-R1389 WeakPolarHBondContact O-CB 3.5Å; D1385-R1389 WeakPolarHBondContact O-CG 3.33Å; D1385-R1389 PolarHBondContact O-N 2.87Å
1386F39.5Very low47.4Very low148 Ų14873.8 Ų73.865%0.64937%0.368SS*.Hα-helixtrans-77.1-28.8170.4-158.8-94.7000112.9Y1382 F1383 S1384Y1382-F1386 VanDerWaalsContact O-CB 3.23Å; Y1382-F1386 WeakPolarHBondContact O-CB 3.06Å; Y1382-F1386 PolarHBondContact O-N 3.47Å; F1383-F1386 CarbonylContact O-C 3.57Å; F1383-F1386 WeakPolarHBondContact O-CA 3.05Å; F1383-F1386 PolarHBondContact O-N 2.83Å; S1384-F1386 VanDerWaalsContact C-N 3.29Å
1387L35.1Very low45.1Very low82 Ų8273 Ų7343%0.42937%0.371SS..Hα-helixtrans-88-33178.5-72.1164.6000111F1383 S1384 M1394F1383-L1387 HydrophobicContact CB-CD1 4.37Å; F1383-L1387 WeakPolarHBondContact O-CA 3.45Å; F1383-L1387 WeakPolarHBondContact O-CB 3.48Å; F1383-L1387 WeakPolarHBondContact O-CD1 3.36Å; F1383-L1387 WeakPolarHBondContact O-CG 3.43Å; F1383-L1387 PolarHBondContact O-N 3.08Å; S1384-L1387 CarbonylContact O-C 3.53Å; S1384-L1387 PolarHBondContact O-N 3.49Å; L1387-M1394 HydrophobicContact CD2-CE 4.33Å
1388A37Very low42.8Very low16 Ų1677 Ų7713%0.13239%0.39CS..THydrogen-bonded Turntrans-100.90.7178.600000112.7K1236 S1384 D1390K1236-A1388 HydrophobicContact CD-CB 4.25Å; K1236-A1388 PolarHBondContact NZ-O 3.47Å; S1384-A1388 VanDerWaalsContact O-CA 3.27Å; S1384-A1388 WeakPolarHBondContact O-CA 3.14Å; S1384-A1388 WeakPolarHBondContact O-CB 3.38Å; S1384-A1388 PolarHBondContact O-N 3.27Å; A1388-D1390 PolarHBondContact O-N 3.48Å; A1388-D1390 VanDerWaalsContact O-N 3.16Å
1389R35.4Very low40.6Very low210 Ų21081.5 Ų81.579%0.79241%0.414SS*.THydrogen-bonded Turntrans-75.567.7137.5-81.7179.8172.5-176.7-1107.2D1385 N1391D1385-R1389 WeakPolarHBondContact O-CB 3.5Å; D1385-R1389 WeakPolarHBondContact O-CG 3.33Å; D1385-R1389 PolarHBondContact O-N 2.87Å; R1389-N1391 PolarHBondContact O-N 3.08Å
1390D32.9Very low38.7Very low119 Ų11984.6 Ų84.664%0.63643%0.425SS*.THydrogen-bonded Turntrans21.258159.9-58-33.1000115.1N999 A1388 P1392N999-D1390 PolarHBondContact ND2-O 3.19Å; A1388-D1390 PolarHBondContact O-N 3.48Å; A1388-D1390 VanDerWaalsContact O-N 3.16Å; D1390-P1392 WeakPolarHBondContact O-CD 2.97Å
1391N33.4Very low36.8Very low70 Ų7093.4 Ų93.437%0.37445%0.448SS..  trans-110.663.9162-155.90.4000109.2R1389 T1393 M1394R1389-N1391 PolarHBondContact O-N 3.08Å; N1391-T1393 PolarHBondContact O-N 3.34Å; N1391-T1393 WeakPolarHBondContact OD1-CB 3.45Å; N1391-T1393 PolarHBondContact OD1-N 3.03Å; N1391-T1393 PolarHBondContact OD1-OG1 3.37Å; N1391-M1394 PolarHBondContact O-N 2.89Å
1392P31.1Very low35Very low52 Ų52101.8 Ų101.834%0.33849%0.488SS..Hα-helixtrans-59.85165.418.7-19.8000111.5D1390 M1394 A1396D1390-P1392 WeakPolarHBondContact O-CD 2.97Å; P1392-M1394 PolarHBondContact O-N 3.12Å; P1392-A1396 WeakPolarHBondContact O-CA 3.25Å; P1392-A1396 WeakPolarHBondContact O-CB 3.3Å; P1392-A1396 PolarHBondContact O-N 3.02Å
1393T30.7Very low33.8Very low63 Ų63101 Ų10139%0.38749%0.492SS..Hα-helixtrans-61.5-28.6166-40.60000113N1391 A1396 A1397N1391-T1393 PolarHBondContact O-N 3.34Å; N1391-T1393 WeakPolarHBondContact OD1-CB 3.45Å; N1391-T1393 PolarHBondContact OD1-N 3.03Å; N1391-T1393 PolarHBondContact OD1-OG1 3.37Å; T1393-A1396 CarbonylContact O-C 3.51Å; T1393-A1397 WeakPolarHBondContact O-CA 3.31Å; T1393-A1397 WeakPolarHBondContact O-CB 3.23Å; T1393-A1397 PolarHBondContact O-N 3.45Å
1394M31.2Very low32.5Very low117 Ų117100.2 Ų100.258%0.57651%0.508SS*.Hα-helixtrans-94.2-40179.8-143.3174.187.600113L1387 N1391 P1392 A1396 A1397 L1398L1387-M1394 HydrophobicContact CD2-CE 4.33Å; N1391-M1394 PolarHBondContact O-N 2.89Å; P1392-M1394 PolarHBondContact O-N 3.12Å; M1394-A1396 VanDerWaalsContact C-N 3.33Å; M1394-A1397 VanDerWaalsContact C-N 3.31Å; M1394-A1397 WeakPolarHBondContact O-CA 3.45Å; M1394-A1397 WeakPolarHBondContact O-CB 3.44Å; M1394-A1397 PolarHBondContact O-N 3.04Å; M1394-L1398 PolarHBondContact O-N 3.09Å
1395Q29.1Very low31.8Very low150 Ų150104 Ų10470%0.70153%0.53SS*.Hα-helixtrans-65.9-39.9168.6-111-176.2-1.900111A1397 L1398 L1399Q1395-A1397 VanDerWaalsContact C-N 3.31Å; Q1395-L1398 PolarHBondContact O-N 2.91Å; Q1395-L1399 WeakPolarHBondContact O-CB 3.26Å; Q1395-L1399 PolarHBondContact O-N 2.97Å
1396A30.9Very low31.1Very low27 Ų27106.8 Ų106.822%0.22355%0.545CS..Hα-helixtrans-76.5-5.4164.700000112.3P1392 T1393 M1394 R1400P1392-A1396 WeakPolarHBondContact O-CA 3.25Å; P1392-A1396 WeakPolarHBondContact O-CB 3.3Å; P1392-A1396 PolarHBondContact O-N 3.02Å; T1393-A1396 CarbonylContact O-C 3.51Å; M1394-A1396 VanDerWaalsContact C-N 3.33Å; A1396-R1400 HydrophobicContact CB-CG 4.09Å; A1396-R1400 WeakPolarHBondContact O-CA 3.33Å; A1396-R1400 WeakPolarHBondContact O-CB 3.44Å; A1396-R1400 WeakPolarHBondContact O-CD 3.44Å; A1396-R1400 WeakPolarHBondContact O-CG 3.36Å; A1396-R1400 PolarHBondContact O-N 3.44Å; A1396-R1400 PolarHBondContact O-NE 3.39Å
1397A28.9Very low30.9Very low47 Ų47104 Ų10439%0.38854%0.541SS..Hα-helixtrans-75.8-41.1165.900000109.6T1393 M1394 Q1395 R1401T1393-A1397 WeakPolarHBondContact O-CA 3.31Å; T1393-A1397 WeakPolarHBondContact O-CB 3.23Å; T1393-A1397 PolarHBondContact O-N 3.45Å; M1394-A1397 VanDerWaalsContact C-N 3.31Å; M1394-A1397 WeakPolarHBondContact O-CA 3.45Å; M1394-A1397 WeakPolarHBondContact O-CB 3.44Å; M1394-A1397 PolarHBondContact O-N 3.04Å; Q1395-A1397 VanDerWaalsContact C-N 3.31Å; A1397-R1401 PolarHBondContact O-N 3.46Å; A1397-R1401 VanDerWaalsContact O-N 3.14Å
1398L28.2Very low31.1Very low119 Ų119104.3 Ų104.362%0.62355%0.546SS*.Hα-helixtrans-69.4-41173-88.9145000111.8M1394 Q1395M1394-L1398 PolarHBondContact O-N 3.09Å; Q1395-L1398 PolarHBondContact O-N 2.91Å
1399L27.6Very low31.6Very low97 Ų97106 Ų10651%0.50855%0.549SS..Hα-helixtrans-74.7-35.6170.3-105.386.3000113Q1395 R1401 Q1402 T1403Q1395-L1399 WeakPolarHBondContact O-CB 3.26Å; Q1395-L1399 PolarHBondContact O-N 2.97Å; L1399-R1401 PolarHBondContact O-N 2.86Å; L1399-Q1402 CarbonylContact O-C 3.58Å; L1399-Q1402 PolarHBondContact O-N 3.13Å; L1399-T1403 HydrophobicContact CD2-CG2 4.38Å; L1399-T1403 PolarHBondContact O-N 3.37Å; L1399-T1403 PolarHBondContact O-OG1 3.47Å
1400R31.6Very low32.3Very low136 Ų13697.3 Ų97.351%0.51352%0.518SS..Hα-helixtrans-63.3-23.6176.6-77.5155.7-151-162.14.7110.9A1396 Q1402A1396-R1400 HydrophobicContact CB-CG 4.09Å; A1396-R1400 WeakPolarHBondContact O-CA 3.33Å; A1396-R1400 WeakPolarHBondContact O-CB 3.44Å; A1396-R1400 WeakPolarHBondContact O-CD 3.44Å; A1396-R1400 WeakPolarHBondContact O-CG 3.36Å; A1396-R1400 PolarHBondContact O-N 3.44Å; A1396-R1400 PolarHBondContact O-NE 3.39Å; R1400-Q1402 VanDerWaalsContact C-N 3.33Å
1401R25Very low33.3Very low232 Ų23293 Ų9388%0.87550%0.495SS*.THydrogen-bonded Turntrans-70.9-26.8170.6-94.1-172.2174.7179.6-0113.2A1397 L1399A1397-R1401 PolarHBondContact O-N 3.46Å; A1397-R1401 VanDerWaalsContact O-N 3.14Å; L1399-R1401 PolarHBondContact O-N 2.86Å
1402Q27.7Very low34.5Very low177 Ų17790.3 Ų90.383%0.82748%0.481SS*.THydrogen-bonded Turntrans-111.5-26.5-175.7-71-169.8-14.900114.7L1399 R1400L1399-Q1402 CarbonylContact O-C 3.58Å; L1399-Q1402 PolarHBondContact O-N 3.13Å; R1400-Q1402 VanDerWaalsContact C-N 3.33Å
1403T31.4Very low35.8Very low70 Ų7088.7 Ų88.743%0.42947%0.469SS..  trans-113.684.3-176.661.90000110.1L1399 T1405L1399-T1403 HydrophobicContact CD2-CG2 4.38Å; L1399-T1403 PolarHBondContact O-N 3.37Å; L1399-T1403 PolarHBondContact O-OG1 3.47Å; T1403-T1405 PolarHBondContact O-N 2.66Å
1404A25.4Very low37.2Very low105 Ų10586.7 Ų86.787%0.86846%0.456SS*.  trans-69.671.3171.500000111.4
1405T31Very low38.5Very low97 Ų9783.1 Ų83.160%0.59544%0.441SS*.  trans-106.6108.7156.244.40000107T1403T1403-T1405 PolarHBondContact O-N 2.66Å
1406L29.2Very low39.9Very low109 Ų10979.2 Ų79.257%0.57142%0.422SS*.  trans-43.3130.1178.1-86.3147.9000111V1408 P1600 R1601L1406-V1408 PolarHBondContact O-N 3.4Å; L1406-P1600 HydrophobicContact CD1-CB 4.43Å; L1406-P1600 HydrophobicContact CD2-CB 3.61Å; L1406-P1600 HydrophobicContact CD2-CG 4.34Å; L1406-R1601 HydrophobicContact CD1-CB 4.5Å
1407P36.8Very low41.4Very low89 Ų8981.6 Ų81.658%0.57843%0.428SS*.  trans-54.3127.8172-19.928.9000109.6R1409P1407-R1409 PolarHBondContact O-N 3.48Å
1408V39.6Very low42.9Very low89 Ų8984.6 Ų84.654%0.53943%0.434SS..  trans-65.596.8176.9-178.90000108.1L1406 I1410 F1576 E1596L1406-V1408 PolarHBondContact O-N 3.4Å; V1408-I1410 HydrophobicContact CG1-CG1 4.49Å; V1408-F1576 HydrophobicContact CG1-CE2 3.76Å; V1408-F1576 HydrophobicContact CG1-CZ 4.34Å; V1408-E1596 HydrophobicContact CG1-CG 4.25Å
1409R47.4Very low44.3Very low51 Ų5180.1 Ų80.119%0.19241%0.41CS..  trans-74.6142.2169-79-179.4178.8-179.7-1.9108.1M1019 P1407 E1596 D1597M1019-R1409 PolarHBondContact O-NE 2.95Å; M1019-R1409 VanDerWaalsContact O-NE 3.13Å; M1019-R1409 PolarHBondContact O-NH1 3.32Å; M1019-R1409 PolarHBondContact O-NH2 3.5Å; P1407-R1409 PolarHBondContact O-N 3.48Å; R1409-E1596 CarbonylContact O-C 3.2Å; R1409-D1597 HydrophobicContact CB-CB 3.46Å; R1409-D1597 VanDerWaalsContact CB-CB 3.46Å; R1409-D1597 VanDerWaalsContact CD-OD2 3.3Å; R1409-D1597 WeakPolarHBondContact CD-OD2 3.4Å; R1409-D1597 PolarHBondContact O-N 3.33Å
1410I49.8Very low45.8Very low27 Ų2775.5 Ų75.514%0.13839%0.386CS..EExtended strand (participates in β ladder)trans-116.5125.2-179.4-57.7177000109.6L987 V1408 V1412 F1576 A1594 I1595L987-I1410 HydrophobicContact CD1-CD1 4.13Å; L987-I1410 HydrophobicContact CD2-CD1 4.04Å; V1408-I1410 HydrophobicContact CG1-CG1 4.49Å; I1410-V1412 HydrophobicContact CG2-CG2 4.38Å; I1410-F1576 HydrophobicContact CD1-CD2 3.94Å; I1410-F1576 HydrophobicContact CD1-CE2 3.76Å; I1410-F1576 HydrophobicContact CD1-CG 4.46Å; I1410-F1576 HydrophobicContact CD1-CZ 4.12Å; I1410-F1576 HydrophobicContact CG1-CD2 4.1Å; I1410-F1576 HydrophobicContact CG1-CE2 3.96Å; I1410-A1594 HydrophobicContact CG2-CB 3.86Å; I1410-I1595 CarbonylContact C-O 3.53Å; I1410-I1595 WeakPolarHBondContact CA-O 3.2Å
1411L54.4Low47.3Very low30 Ų3071.5 Ų71.516%0.15738%0.375CS..EExtended strand (participates in β ladder)trans-84.1124.2165.2-57.5176.3000109.9I1016 L1017 I1018 A1594 I1595 D1597I1016-L1411 HydrophobicContact CG2-CB 4.22Å; I1016-L1411 HydrophobicContact CG2-CD1 4.47Å; I1016-L1411 HydrophobicContact CG2-CD2 3.81Å; I1016-L1411 HydrophobicContact CG2-CG 4.4Å; L1017-L1411 WeakPolarHBondContact O-CA 3.32Å; L1017-L1411 WeakPolarHBondContact O-CD2 3.45Å; I1018-L1411 HydrophobicContact CB-CD2 4.34Å; I1018-L1411 HydrophobicContact CD1-CD2 3.54Å; I1018-L1411 HydrophobicContact CG1-CD2 3.06Å; L1411-A1594 CarbonylContact O-C 3.43Å; L1411-A1594 WeakPolarHBondContact O-CA 3.49Å; L1411-I1595 HydrophobicContact CB-CB 4.26Å; L1411-I1595 PolarHBondContact N-O 3.49Å; L1411-I1595 PolarHBondContact O-N 2.68Å; L1411-D1597 HydrophobicContact CD1-CB 4.36Å; L1411-D1597 HydrophobicContact CD2-CB 3.87Å; L1411-D1597 HydrophobicContact CG-CB 3.74Å
1412V57.6Low49Very low13 Ų1367.3 Ų67.38%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-103.3114.7170.8-177.50000109L978 L983 L1017 I1410 I1414 F1592 L1593L978-V1412 HydrophobicContact CD1-CG1 4.43Å; L983-V1412 HydrophobicContact CD1-CG2 4.31Å; L1017-V1412 HydrophobicContact CB-CB 4.37Å; L1017-V1412 HydrophobicContact CD1-CB 4.2Å; L1017-V1412 PolarHBondContact N-O 3.42Å; I1410-V1412 HydrophobicContact CG2-CG2 4.38Å; V1412-I1414 HydrophobicContact CG1-CG1 4.11Å; V1412-F1592 HydrophobicContact CG1-CB 4.21Å; V1412-F1592 HydrophobicContact CG1-CD2 3.94Å; V1412-F1592 HydrophobicContact CG1-CG 4.37Å; V1412-L1593 WeakPolarHBondContact CA-O 3.47Å
1413K58.5Low50.2Low17 Ų1762.8 Ų62.87%0.07434%0.344CS..EExtended strand (participates in β ladder)trans-95.6117177.8-167.6-174-172.3-173.40109.5S1014 N1015 E1448 L1593 D1733S1014-K1413 WeakPolarHBondContact OG-CE 3.42Å; S1014-K1413 WeakPolarHBondContact OG-CG 3.42Å; N1015-K1413 WeakPolarHBondContact O-CA 3.32Å; K1413-E1448 IonicContact NZ-OE1 3.08Å; K1413-E1448 PolarHBondContact NZ-OE1 3.45Å; K1413-E1448 IonicContact NZ-OE2 3.9Å; K1413-E1448 PolarHBondContact NZ-OE2 3.28Å; K1413-L1593 HydrophobicContact CB-CB 4.26Å; K1413-L1593 HydrophobicContact CD-CD2 4.44Å; K1413-L1593 PolarHBondContact N-O 2.85Å; K1413-L1593 PolarHBondContact O-N 2.87Å; K1413-D1733 IonicContact NZ-OD1 2.65Å; K1413-D1733 PolarHBondContact NZ-OD1 2.87Å
1414I60.5Low51.6Low22 Ų2259.5 Ų59.511%0.11332%0.324CS..EExtended strand (participates in β ladder)trans-114.2114.3178.4-53.7175000109.3T976 L978 S1014 N1015 L1017 V1412 F1592T976-I1414 HydrophobicContact CG2-CD1 4.02Å; L978-I1414 HydrophobicContact CD1-CD1 3.76Å; L978-I1414 HydrophobicContact CD1-CG1 4.32Å; S1014-I1414 WeakPolarHBondContact CA-O 3.49Å; S1014-I1414 WeakPolarHBondContact CB-O 3.48Å; N1015-I1414 PolarHBondContact N-O 3.38Å; N1015-I1414 PolarHBondContact O-N 3.07Å; L1017-I1414 HydrophobicContact CD1-CD1 4.37Å; V1412-I1414 HydrophobicContact CG1-CG1 4.11Å; I1414-F1592 HydrophobicContact CG1-CB 4.3Å
1415P57.6Low53.3Low42 Ų4260.1 Ų60.127%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-66.6135.2178-12.224.9000111.8I1441 A1445 K1591P1415-I1441 VanDerWaalsContact C-CD1 3.48Å; P1415-I1441 HydrophobicContact CB-CD1 3.5Å; P1415-I1441 VanDerWaalsContact CB-CD1 3.5Å; P1415-I1441 HydrophobicContact CB-CG1 3.47Å; P1415-I1441 VanDerWaalsContact CB-CG1 3.47Å; P1415-A1445 HydrophobicContact CB-CB 4.46Å; P1415-A1445 HydrophobicContact CG-CB 3.77Å; P1415-K1591 WeakPolarHBondContact CD-O 3.29Å
1416K58.8Low54.4Low68 Ų6860.4 Ų60.430%0.29632%0.318SS..  trans-126.3128.6174.4-90-156.8172.6-165.60114.4N1015 E1418 H1419 I1441N1015-K1416 VanDerWaalsContact ND2-CD 3.27Å; N1015-K1416 WeakPolarHBondContact ND2-CD 3.43Å; N1015-K1416 WeakPolarHBondContact ND2-CE 3.42Å; N1015-K1416 WeakPolarHBondContact ND2-CG 3.36Å; K1416-E1418 VanDerWaalsContact C-N 3.29Å; K1416-E1418 WeakPolarHBondContact CD-OE2 3.4Å; K1416-E1418 IonicContact NZ-OE2 3.49Å; K1416-E1418 PolarHBondContact NZ-OE2 3.23Å; K1416-E1418 PolarHBondContact O-N 3.11Å; K1416-H1419 PolarHBondContact O-N 3.39Å; K1416-I1441 WeakPolarHBondContact O-CD1 3.44Å
1417Q63Low55.4Low76 Ų7656.4 Ų56.436%0.35530%0.297SS..Hα-helixtrans-61.1-35.4176.7-170.860.242.700112.6H1419 I1420 D1421Q1417-H1419 PolarHBondContact O-N 3.44Å; Q1417-I1420 WeakPolarHBondContact O-CA 3.14Å; Q1417-I1420 WeakPolarHBondContact O-CB 3.39Å; Q1417-I1420 PolarHBondContact O-N 2.94Å; Q1417-D1421 PolarHBondContact NE2-OD1 3.3Å; Q1417-D1421 VanDerWaalsContact O-CG 3.23Å; Q1417-D1421 PolarHBondContact O-N 2.91Å
1418E59.5Low56.2Low110 Ų11054.3 Ų54.351%0.51429%0.292SS..Hα-helixtrans-53.5-31.8179.9-68.3174.4153.900114.2K1416 D1421 K1422K1416-E1418 VanDerWaalsContact C-N 3.29Å; K1416-E1418 WeakPolarHBondContact CD-OE2 3.4Å; K1416-E1418 IonicContact NZ-OE2 3.49Å; K1416-E1418 PolarHBondContact NZ-OE2 3.23Å; K1416-E1418 PolarHBondContact O-N 3.11Å; E1418-D1421 PolarHBondContact O-N 3.3Å; E1418-K1422 WeakPolarHBondContact O-CG 3.14Å; E1418-K1422 PolarHBondContact O-N 3.46Å
1419H57.7Low57Low25 Ų2554.8 Ų54.812%0.11630%0.299CS..Hα-helixtrans-73.6-38.1179.7-71.4-136.5000111F1012 L1013 K1416 Q1417 D1421 K1422 L1423F1012-H1419 PolarHBondContact O-ND1 3.47Å; F1012-H1419 VanDerWaalsContact O-ND1 3.14Å; L1013-H1419 HydrophobicContact CD2-CB 4.27Å; K1416-H1419 PolarHBondContact O-N 3.39Å; Q1417-H1419 PolarHBondContact O-N 3.44Å; H1419-D1421 VanDerWaalsContact C-N 3.32Å; H1419-K1422 PolarHBondContact O-N 2.86Å; H1419-L1423 PolarHBondContact O-N 3.47Å; H1419-L1423 VanDerWaalsContact O-N 3.15Å
1420I59.2Low57.2Low1 Ų159 Ų591%0.00532%0.321CS..Hα-helixtrans-66.4-40.9173.9-56.2-168.4000109.1L1013 Q1417 L1423 A1424 F1435 Y1436 F1439 I1441 L1444L1013-I1420 HydrophobicContact CD2-CG1 4.46Å; Q1417-I1420 WeakPolarHBondContact O-CA 3.14Å; Q1417-I1420 WeakPolarHBondContact O-CB 3.39Å; Q1417-I1420 PolarHBondContact O-N 2.94Å; I1420-L1423 PolarHBondContact O-N 3.18Å; I1420-A1424 WeakPolarHBondContact O-CB 3.45Å; I1420-A1424 PolarHBondContact O-N 3.41Å; I1420-F1435 HydrophobicContact CG2-CD1 4.04Å; I1420-F1435 HydrophobicContact CG2-CE1 3.53Å; I1420-Y1436 HydrophobicContact CG2-CD1 4.06Å; I1420-Y1436 HydrophobicContact CG2-CE1 4.13Å; I1420-F1439 HydrophobicContact CD1-CB 4.42Å; I1420-F1439 WeakPolarHBondContact CD1-O 3.17Å; I1420-F1439 HydrophobicContact CG2-CB 4.16Å; I1420-I1441 HydrophobicContact CD1-CB 3.7Å; I1420-I1441 HydrophobicContact CD1-CD1 4.05Å; I1420-I1441 HydrophobicContact CD1-CG1 4Å; I1420-I1441 HydrophobicContact CG1-CD1 4.47Å; I1420-L1444 HydrophobicContact CD1-CD1 4.39Å
1421D64.3Low57.4Low52 Ų5259.1 Ų59.128%0.27832%0.321SS..Hα-helixtrans-64.7-42.8178-54.7-20.1000111.2Q1417 E1418 H1419 L1423 A1424 V1425 Y1436Q1417-D1421 PolarHBondContact NE2-OD1 3.3Å; Q1417-D1421 VanDerWaalsContact O-CG 3.23Å; Q1417-D1421 PolarHBondContact O-N 2.91Å; E1418-D1421 PolarHBondContact O-N 3.3Å; H1419-D1421 VanDerWaalsContact C-N 3.32Å; D1421-L1423 VanDerWaalsContact C-N 3.32Å; D1421-L1423 PolarHBondContact O-N 2.69Å; D1421-A1424 PolarHBondContact O-N 3.24Å; D1421-A1424 VanDerWaalsContact O-N 3.17Å; D1421-V1425 VanDerWaalsContact O-CG2 3.22Å; D1421-V1425 WeakPolarHBondContact O-CG2 2.71Å; D1421-V1425 PolarHBondContact O-N 3.4Å; D1421-Y1436 WeakPolarHBondContact OD1-CE1 3.11Å; D1421-Y1436 PolarHBondContact OD1-OH 2.8Å
1422K59.1Low57.6Low144 Ų14459 Ų5963%0.62632%0.322SS*.Hα-helixtrans-58.3-41.8173.6-80.2179.2-178.1175.60112.3E1418 H1419E1418-K1422 WeakPolarHBondContact O-CG 3.14Å; E1418-K1422 PolarHBondContact O-N 3.46Å; H1419-K1422 PolarHBondContact O-N 2.86Å
1423L53.4Low58Low82 Ų8265.1 Ų65.143%0.42935%0.348SS..Hα-helixtrans-70.2-39.1175.8-136.488.2000111.4H1419 I1420 D1421 V1425 T1426 L1427 F1435H1419-L1423 PolarHBondContact O-N 3.47Å; H1419-L1423 VanDerWaalsContact O-N 3.15Å; I1420-L1423 PolarHBondContact O-N 3.18Å; D1421-L1423 VanDerWaalsContact C-N 3.32Å; D1421-L1423 PolarHBondContact O-N 2.69Å; L1423-V1425 VanDerWaalsContact C-N 3.3Å; L1423-V1425 PolarHBondContact O-N 2.94Å; L1423-T1426 PolarHBondContact O-N 2.65Å; L1423-T1426 VanDerWaalsContact O-N 3.14Å; L1423-T1426 PolarHBondContact O-OG1 3.3Å; L1423-L1427 WeakPolarHBondContact O-CG 3.29Å; L1423-F1435 HydrophobicContact CB-CE1 4.22Å; L1423-F1435 HydrophobicContact CB-CZ 4.08Å; L1423-F1435 HydrophobicContact CD2-CE2 4.15Å; L1423-F1435 HydrophobicContact CD2-CZ 3.6Å; L1423-F1435 HydrophobicContact CG-CZ 4.42Å
1424A61.5Low57.9Low0 Ų069.5 Ų69.50%037%0.366CS..Hα-helixtrans-67.9-29.6-179.800000113I1420 D1421 T1426 L1427 T1432 F1435 Y1436I1420-A1424 WeakPolarHBondContact O-CB 3.45Å; I1420-A1424 PolarHBondContact O-N 3.41Å; D1421-A1424 PolarHBondContact O-N 3.24Å; D1421-A1424 VanDerWaalsContact O-N 3.17Å; A1424-T1426 VanDerWaalsContact C-N 3.3Å; A1424-L1427 WeakPolarHBondContact O-CB 3.48Å; A1424-L1427 PolarHBondContact O-N 3.12Å; A1424-L1427 VanDerWaalsContact O-N 3.09Å; A1424-L1427 VanDerWaalsContact O-O 3.05Å; A1424-T1432 HydrophobicContact CB-CG2 3.8Å; A1424-T1432 PolarHBondContact O-OG1 3.27Å; A1424-F1435 HydrophobicContact CB-CD1 3.78Å; A1424-F1435 HydrophobicContact CB-CE1 4.13Å; A1424-Y1436 HydrophobicContact CB-CD1 4.44Å; A1424-Y1436 HydrophobicContact CB-CE1 3.62Å; A1424-Y1436 HydrophobicContact CB-CE2 4.39Å; A1424-Y1436 WeakPolarHBondContact CB-OH 3.44Å
1425V60.3Low58Low118 Ų11868.8 Ų68.872%0.71536%0.362SS*.Hα-helixtrans-66.1-31.7172.4168.40000111.7D1421 L1423 L1427D1421-V1425 VanDerWaalsContact O-CG2 3.22Å; D1421-V1425 WeakPolarHBondContact O-CG2 2.71Å; D1421-V1425 PolarHBondContact O-N 3.4Å; L1423-V1425 VanDerWaalsContact C-N 3.3Å; L1423-V1425 PolarHBondContact O-N 2.94Å; V1425-L1427 PolarHBondContact O-N 3.36Å
1426T53.5Low58.3Low103 Ų10370.6 Ų70.663%0.63237%0.365SS*.THydrogen-bonded Turntrans-73.5-10.7171.942.90000113.6L1423 A1424L1423-T1426 PolarHBondContact O-N 2.65Å; L1423-T1426 VanDerWaalsContact O-N 3.14Å; L1423-T1426 PolarHBondContact O-OG1 3.3Å; A1424-T1426 VanDerWaalsContact C-N 3.3Å
1427L51.8Low58.5Low26 Ų2673.4 Ų73.414%0.13638%0.379CS..SBendtrans-99.6144.6177.6-54.6173.2000110.6L1423 A1424 V1425 M1431 T1432 F1435 F1654L1423-L1427 WeakPolarHBondContact O-CG 3.29Å; A1424-L1427 WeakPolarHBondContact O-CB 3.48Å; A1424-L1427 PolarHBondContact O-N 3.12Å; A1424-L1427 VanDerWaalsContact O-N 3.09Å; A1424-L1427 VanDerWaalsContact O-O 3.05Å; V1425-L1427 PolarHBondContact O-N 3.36Å; L1427-M1431 HydrophobicContact CB-CB 4.06Å; L1427-M1431 HydrophobicContact CD2-CE 4.46Å; L1427-M1431 HydrophobicContact CD2-SD 4.29Å; L1427-T1432 PolarHBondContact O-OG1 3.3Å; L1427-F1435 HydrophobicContact CD1-CB 4.02Å; L1427-F1435 HydrophobicContact CD1-CD1 4.15Å; L1427-F1435 HydrophobicContact CD1-CD2 3.37Å; L1427-F1435 HydrophobicContact CD1-CE1 4.48Å; L1427-F1435 HydrophobicContact CD1-CE2 3.81Å; L1427-F1435 HydrophobicContact CD1-CG 3.58Å; L1427-F1435 HydrophobicContact CD1-CZ 4.35Å; L1427-F1654 HydrophobicContact CD1-CE1 4.15Å; L1427-F1654 HydrophobicContact CD1-CE2 4.13Å; L1427-F1654 HydrophobicContact CD1-CZ 3.45Å; L1427-F1654 VanDerWaalsContact CD1-CZ 3.45Å; L1427-F1654 HydrophobicContact CD2-CD1 4.17Å; L1427-F1654 HydrophobicContact CD2-CE1 3.19Å; L1427-F1654 HydrophobicContact CD2-CZ 3.44Å; L1427-F1654 VanDerWaalsContact CD2-CZ 3.44Å; L1427-F1654 HydrophobicContact CG-CE1 4.31Å; L1427-F1654 HydrophobicContact CG-CZ 4.09Å
1428G52.4Low58.2Low45 Ų4572 Ų7246%0.46437%0.373SS..  trans-60.3154.6174.200000112.8E1430 M1431 T1432G1428-E1430 VanDerWaalsContact C-N 3.33Å; G1428-E1430 PolarHBondContact O-N 3.26Å; G1428-E1430 VanDerWaalsContact O-N 3.14Å; G1428-M1431 WeakPolarHBondContact O-CA 3.26Å; G1428-M1431 VanDerWaalsContact O-CB 3.31Å; G1428-M1431 WeakPolarHBondContact O-CB 3.36Å; G1428-M1431 PolarHBondContact O-N 3.17Å; G1428-T1432 PolarHBondContact O-N 3.02Å; G1428-T1432 PolarHBondContact O-OG1 3.4Å; G1428-T1432 VanDerWaalsContact O-OG1 3.11Å
1429S57.7Low58.2Low99 Ų9968.1 Ų68.169%0.69236%0.355SS*.Hα-helixtrans-54.9-36.3-168.655.70000116
1430E51Low58.7Low140 Ų14070.2 Ų70.265%0.65437%0.367SS*.Hα-helixtrans-74.9-29.8178.9-142.1166.2-144.800111.6K92 G1428K92-E1430 IonicContact NZ-OE1 3.17Å; K92-E1430 PolarHBondContact NZ-OE1 3.46Å; G1428-E1430 VanDerWaalsContact C-N 3.33Å; G1428-E1430 PolarHBondContact O-N 3.26Å; G1428-E1430 VanDerWaalsContact O-N 3.14Å
1431M53.1Low58.9Low28 Ų2871.2 Ų71.214%0.13837%0.372CS..Hα-helixtrans-72.7-40.8171.8-94.9-163.1-81.600111.7L1427 G1428 K1433 K1434 F1435 A1653 F1654L1427-M1431 HydrophobicContact CB-CB 4.06Å; L1427-M1431 HydrophobicContact CD2-CE 4.46Å; L1427-M1431 HydrophobicContact CD2-SD 4.29Å; G1428-M1431 WeakPolarHBondContact O-CA 3.26Å; G1428-M1431 VanDerWaalsContact O-CB 3.31Å; G1428-M1431 WeakPolarHBondContact O-CB 3.36Å; G1428-M1431 PolarHBondContact O-N 3.17Å; M1431-K1433 PolarHBondContact O-N 3.4Å; M1431-K1433 VanDerWaalsContact O-N 3.16Å; M1431-K1434 PolarHBondContact O-N 2.92Å; M1431-K1434 VanDerWaalsContact O-N 3.15Å; M1431-F1435 WeakPolarHBondContact O-CB 3.34Å; M1431-F1435 PolarHBondContact O-N 2.93Å; M1431-A1653 HydrophobicContact CG-CB 4.43Å; M1431-F1654 HydrophobicContact SD-CB 4.31Å; M1431-F1654 HydrophobicContact SD-CD1 3.84Å; M1431-F1654 HydrophobicContact SD-CD2 4.04Å; M1431-F1654 HydrophobicContact SD-CE1 4.21Å; M1431-F1654 HydrophobicContact SD-CE2 4.35Å; M1431-F1654 HydrophobicContact SD-CG 3.78Å; M1431-F1654 HydrophobicContact SD-CZ 4.44Å
1432T60.1Low58.8Low27 Ų2778.8 Ų78.817%0.16640%0.397CS..Hα-helixtrans-52.4-40.4-179-50.40000111.9A1424 L1427 G1428 F1435 Y1436A1424-T1432 HydrophobicContact CB-CG2 3.8Å; A1424-T1432 PolarHBondContact O-OG1 3.27Å; L1427-T1432 PolarHBondContact O-OG1 3.3Å; G1428-T1432 PolarHBondContact O-N 3.02Å; G1428-T1432 PolarHBondContact O-OG1 3.4Å; G1428-T1432 VanDerWaalsContact O-OG1 3.11Å; T1432-F1435 PolarHBondContact O-N 3.39Å; T1432-Y1436 HydrophobicContact CG2-CD2 3.73Å; T1432-Y1436 HydrophobicContact CG2-CE2 3.18Å; T1432-Y1436 WeakPolarHBondContact O-CD2 3.48Å; T1432-Y1436 PolarHBondContact O-N 3.16Å
1433K65.2Low59.2Low143 Ų14376.5 Ų76.562%0.62239%0.387SS*.Hα-helixtrans-67.2-49.4178.6-168-179.5178.2-176.90112.8M1431 F1435 Y1436 E1437M1431-K1433 PolarHBondContact O-N 3.4Å; M1431-K1433 VanDerWaalsContact O-N 3.16Å; K1433-F1435 VanDerWaalsContact C-N 3.28Å; K1433-F1435 PolarHBondContact O-N 3.17Å; K1433-Y1436 PolarHBondContact O-N 3.12Å; K1433-E1437 PolarHBondContact O-N 2.87Å
1434K57.4Low59.8Low108 Ų10873.1 Ų73.147%0.4737%0.369SS..Hα-helixtrans-61.5-40.4174.4-81.8-174.7174-175.80110.9M1431 Y1436 E1437 L1438 A1653M1431-K1434 PolarHBondContact O-N 2.92Å; M1431-K1434 VanDerWaalsContact O-N 3.15Å; K1434-Y1436 PolarHBondContact O-N 2.9Å; K1434-E1437 PolarHBondContact O-N 2.96Å; K1434-L1438 HydrophobicContact CB-CD1 4.47Å; K1434-L1438 WeakPolarHBondContact O-CB 3.43Å; K1434-L1438 VanDerWaalsContact O-CD1 3.29Å; K1434-L1438 WeakPolarHBondContact O-CD1 3.31Å; K1434-L1438 WeakPolarHBondContact O-CG 3.18Å; K1434-L1438 PolarHBondContact O-N 3.27Å; K1434-A1653 HydrophobicContact CD-CB 3.8Å
1435F60.7Low60Low7 Ų774.5 Ų74.53%0.03138%0.381CS..Hα-helixtrans-59.1-45.6176.3-170.3-96.9000111I1420 L1423 A1424 L1427 M1431 T1432 K1433 L1438 F1439 F1654I1420-F1435 HydrophobicContact CG2-CD1 4.04Å; I1420-F1435 HydrophobicContact CG2-CE1 3.53Å; L1423-F1435 HydrophobicContact CB-CE1 4.22Å; L1423-F1435 HydrophobicContact CB-CZ 4.08Å; L1423-F1435 HydrophobicContact CD2-CE2 4.15Å; L1423-F1435 HydrophobicContact CD2-CZ 3.6Å; L1423-F1435 HydrophobicContact CG-CZ 4.42Å; A1424-F1435 HydrophobicContact CB-CD1 3.78Å; A1424-F1435 HydrophobicContact CB-CE1 4.13Å; L1427-F1435 HydrophobicContact CD1-CB 4.02Å; L1427-F1435 HydrophobicContact CD1-CD1 4.15Å; L1427-F1435 HydrophobicContact CD1-CD2 3.37Å; L1427-F1435 HydrophobicContact CD1-CE1 4.48Å; L1427-F1435 HydrophobicContact CD1-CE2 3.81Å; L1427-F1435 HydrophobicContact CD1-CG 3.58Å; L1427-F1435 HydrophobicContact CD1-CZ 4.35Å; M1431-F1435 WeakPolarHBondContact O-CB 3.34Å; M1431-F1435 PolarHBondContact O-N 2.93Å; T1432-F1435 PolarHBondContact O-N 3.39Å; K1433-F1435 VanDerWaalsContact C-N 3.28Å; K1433-F1435 PolarHBondContact O-N 3.17Å; F1435-L1438 PolarHBondContact O-N 2.97Å; F1435-F1439 HydrophobicContact CD1-CB 4.41Å; F1435-F1439 HydrophobicContact CD1-CD2 4.31Å; F1435-F1439 AromaticContact CD2-CD2 3.32Å; F1435-F1439 HydrophobicContact CD2-CD2 3.32Å; F1435-F1439 AromaticContact CD2-CE2 3.48Å; F1435-F1439 HydrophobicContact CD2-CE2 3.48Å; F1435-F1439 VanDerWaalsContact CD2-CE2 3.48Å; F1435-F1439 HydrophobicContact CD2-CG 4.18Å; F1435-F1439 HydrophobicContact CD2-CZ 4.42Å; F1435-F1439 HydrophobicContact CE1-CB 4.19Å; F1435-F1439 HydrophobicContact CE1-CD2 4.32Å; F1435-F1439 HydrophobicContact CE1-CG 4.28Å; F1435-F1439 HydrophobicContact CE2-CD1 4.29Å; F1435-F1439 AromaticContact CE2-CD2 3.31Å; F1435-F1439 HydrophobicContact CE2-CD2 3.31Å; F1435-F1439 HydrophobicContact CE2-CE1 4.31Å; F1435-F1439 AromaticContact CE2-CE2 3.35Å; F1435-F1439 HydrophobicContact CE2-CE2 3.35Å; F1435-F1439 AromaticContact CE2-CG 3.82Å; F1435-F1439 HydrophobicContact CE2-CG 3.82Å; F1435-F1439 AromaticContact CE2-CZ 3.88Å; F1435-F1439 HydrophobicContact CE2-CZ 3.88Å; F1435-F1439 AromaticContact CG-CD2 3.84Å; F1435-F1439 HydrophobicContact CG-CD2 3.84Å; F1435-F1439 HydrophobicContact CG-CE2 4.41Å; F1435-F1439 HydrophobicContact CZ-CB 4.24Å; F1435-F1439 HydrophobicContact CZ-CD1 4.26Å; F1435-F1439 AromaticContact CZ-CD2 3.83Å; F1435-F1439 HydrophobicContact CZ-CD2 3.83Å; F1435-F1439 HydrophobicContact CZ-CE2 4.22Å; F1435-F1439 AromaticContact CZ-CG 3.86Å; F1435-F1439 HydrophobicContact CZ-CG 3.86Å; F1435-F1439 WeakPolarHBondContact O-CA 3.4Å; F1435-F1439 VanDerWaalsContact O-CB 3.26Å; F1435-F1439 WeakPolarHBondContact O-CB 3.47Å; F1435-F1439 WeakPolarHBondContact O-CD2 3.3Å; F1435-F1439 PolarHBondContact O-N 2.84Å; F1435-F1654 AromaticContact CD2-CE2 3.99Å; F1435-F1654 HydrophobicContact CD2-CE2 3.99Å; F1435-F1654 HydrophobicContact CD2-CZ 4.13Å; F1435-F1654 HydrophobicContact CE2-CE2 4.41Å; F1435-F1654 HydrophobicContact CE2-CZ 4.27Å
1436Y65.3Low60.3Low81 Ų8176.5 Ų76.532%0.31838%0.375SS..Hα-helixtrans-68.2-36.9175.8-70.9-42.9000114.3I1420 D1421 A1424 T1432 K1433 K1434 L1438I1420-Y1436 HydrophobicContact CG2-CD1 4.06Å; I1420-Y1436 HydrophobicContact CG2-CE1 4.13Å; D1421-Y1436 WeakPolarHBondContact OD1-CE1 3.11Å; D1421-Y1436 PolarHBondContact OD1-OH 2.8Å; A1424-Y1436 HydrophobicContact CB-CD1 4.44Å; A1424-Y1436 HydrophobicContact CB-CE1 3.62Å; A1424-Y1436 HydrophobicContact CB-CE2 4.39Å; A1424-Y1436 WeakPolarHBondContact CB-OH 3.44Å; T1432-Y1436 HydrophobicContact CG2-CD2 3.73Å; T1432-Y1436 HydrophobicContact CG2-CE2 3.18Å; T1432-Y1436 WeakPolarHBondContact O-CD2 3.48Å; T1432-Y1436 PolarHBondContact O-N 3.16Å; K1433-Y1436 PolarHBondContact O-N 3.12Å; K1434-Y1436 PolarHBondContact O-N 2.9Å; Y1436-L1438 VanDerWaalsContact C-N 3.27Å; Y1436-L1438 PolarHBondContact O-N 3.26Å
1437E63.5Low61Low127 Ų12772.3 Ų72.359%0.59335%0.349SS*.Hα-helixtrans-64-35175.8-78.6175.9-174.700111.8K1433 K1434K1433-E1437 PolarHBondContact O-N 2.87Å; K1434-E1437 PolarHBondContact O-N 2.96Å
1438L55Low61.7Low46 Ų4671.5 Ų71.524%0.24134%0.344CS..Hα-helixtrans-90.8-49.9-176.3-75.1151.4000112.9K1434 F1435 Y1436 N1440 V1646 T1650K1434-L1438 HydrophobicContact CB-CD1 4.47Å; K1434-L1438 WeakPolarHBondContact O-CB 3.43Å; K1434-L1438 VanDerWaalsContact O-CD1 3.29Å; K1434-L1438 WeakPolarHBondContact O-CD1 3.31Å; K1434-L1438 WeakPolarHBondContact O-CG 3.18Å; K1434-L1438 PolarHBondContact O-N 3.27Å; F1435-L1438 PolarHBondContact O-N 2.97Å; Y1436-L1438 VanDerWaalsContact C-N 3.27Å; Y1436-L1438 PolarHBondContact O-N 3.26Å; L1438-N1440 PolarHBondContact O-N 3.01Å; L1438-N1440 VanDerWaalsContact O-N 3.13Å; L1438-V1646 HydrophobicContact CD2-CG1 3.52Å; L1438-T1650 HydrophobicContact CD1-CG2 3.77Å; L1438-T1650 WeakPolarHBondContact CD1-OG1 3.42Å
1439F60.8Low62.1Low29 Ų2970.1 Ų70.113%0.12733%0.327CS..SBendtrans-86.650.5174.9-63.2-95.2000110.7I1420 F1435 I1441 L1444 T1650 M1736I1420-F1439 HydrophobicContact CD1-CB 4.42Å; I1420-F1439 WeakPolarHBondContact CD1-O 3.17Å; I1420-F1439 HydrophobicContact CG2-CB 4.16Å; F1435-F1439 HydrophobicContact CD1-CB 4.41Å; F1435-F1439 HydrophobicContact CD1-CD2 4.31Å; F1435-F1439 AromaticContact CD2-CD2 3.32Å; F1435-F1439 HydrophobicContact CD2-CD2 3.32Å; F1435-F1439 AromaticContact CD2-CE2 3.48Å; F1435-F1439 HydrophobicContact CD2-CE2 3.48Å; F1435-F1439 VanDerWaalsContact CD2-CE2 3.48Å; F1435-F1439 HydrophobicContact CD2-CG 4.18Å; F1435-F1439 HydrophobicContact CD2-CZ 4.42Å; F1435-F1439 HydrophobicContact CE1-CB 4.19Å; F1435-F1439 HydrophobicContact CE1-CD2 4.32Å; F1435-F1439 HydrophobicContact CE1-CG 4.28Å; F1435-F1439 HydrophobicContact CE2-CD1 4.29Å; F1435-F1439 AromaticContact CE2-CD2 3.31Å; F1435-F1439 HydrophobicContact CE2-CD2 3.31Å; F1435-F1439 HydrophobicContact CE2-CE1 4.31Å; F1435-F1439 AromaticContact CE2-CE2 3.35Å; F1435-F1439 HydrophobicContact CE2-CE2 3.35Å; F1435-F1439 AromaticContact CE2-CG 3.82Å; F1435-F1439 HydrophobicContact CE2-CG 3.82Å; F1435-F1439 AromaticContact CE2-CZ 3.88Å; F1435-F1439 HydrophobicContact CE2-CZ 3.88Å; F1435-F1439 AromaticContact CG-CD2 3.84Å; F1435-F1439 HydrophobicContact CG-CD2 3.84Å; F1435-F1439 HydrophobicContact CG-CE2 4.41Å; F1435-F1439 HydrophobicContact CZ-CB 4.24Å; F1435-F1439 HydrophobicContact CZ-CD1 4.26Å; F1435-F1439 AromaticContact CZ-CD2 3.83Å; F1435-F1439 HydrophobicContact CZ-CD2 3.83Å; F1435-F1439 HydrophobicContact CZ-CE2 4.22Å; F1435-F1439 AromaticContact CZ-CG 3.86Å; F1435-F1439 HydrophobicContact CZ-CG 3.86Å; F1435-F1439 WeakPolarHBondContact O-CA 3.4Å; F1435-F1439 VanDerWaalsContact O-CB 3.26Å; F1435-F1439 WeakPolarHBondContact O-CB 3.47Å; F1435-F1439 WeakPolarHBondContact O-CD2 3.3Å; F1435-F1439 PolarHBondContact O-N 2.84Å; F1439-I1441 PolarHBondContact O-N 3.47Å; F1439-L1444 HydrophobicContact CB-CD1 4.25Å; F1439-L1444 HydrophobicContact CD1-CD1 4.07Å; F1439-T1650 HydrophobicContact CE2-CG2 4.12Å; F1439-M1736 HydrophobicContact CD1-CE 4.49Å; F1439-M1736 HydrophobicContact CD1-SD 4.4Å; F1439-M1736 HydrophobicContact CE1-CE 3.45Å; F1439-M1736 VanDerWaalsContact CE1-CE 3.45Å; F1439-M1736 HydrophobicContact CE1-SD 3.81Å; F1439-M1736 HydrophobicContact CZ-CE 3.86Å
1440N66.6Low62.6Low69 Ų6966.1 Ų66.137%0.36930%0.299SS..  trans-73.8119.6168.6-176.1-51.5000108.6L1438 R1442 K1443 L1444L1438-N1440 PolarHBondContact O-N 3.01Å; L1438-N1440 VanDerWaalsContact O-N 3.13Å; N1440-R1442 PolarHBondContact O-N 2.94Å; N1440-R1442 VanDerWaalsContact O-N 3.14Å; N1440-R1442 WeakPolarHBondContact OD1-CB 3.37Å; N1440-R1442 PolarHBondContact OD1-N 2.86Å; N1440-K1443 HydrophobicContact CB-CB 4.05Å; N1440-K1443 WeakPolarHBondContact O-CA 3.47Å; N1440-K1443 WeakPolarHBondContact O-CB 3.33Å; N1440-K1443 PolarHBondContact O-N 3.24Å; N1440-L1444 PolarHBondContact O-N 2.95Å
1441I63.7Low63.3Low21 Ų2159.5 Ų59.511%0.10827%0.268CS..Hα-helixtrans-61.1-30.6-173.5-155.2160.1000114.1P1415 K1416 I1420 F1439 K1443 A1445P1415-I1441 VanDerWaalsContact C-CD1 3.48Å; P1415-I1441 HydrophobicContact CB-CD1 3.5Å; P1415-I1441 VanDerWaalsContact CB-CD1 3.5Å; P1415-I1441 HydrophobicContact CB-CG1 3.47Å; P1415-I1441 VanDerWaalsContact CB-CG1 3.47Å; K1416-I1441 WeakPolarHBondContact O-CD1 3.44Å; I1420-I1441 HydrophobicContact CD1-CB 3.7Å; I1420-I1441 HydrophobicContact CD1-CD1 4.05Å; I1420-I1441 HydrophobicContact CD1-CG1 4Å; I1420-I1441 HydrophobicContact CG1-CD1 4.47Å; F1439-I1441 PolarHBondContact O-N 3.47Å; I1441-K1443 VanDerWaalsContact C-N 3.31Å; I1441-A1445 VanDerWaalsContact O-CB 3.31Å; I1441-A1445 WeakPolarHBondContact O-CB 3.38Å; I1441-A1445 PolarHBondContact O-N 3.17Å
1442R63.6Low63.8Low211 Ų21158.7 Ų58.780%0.79626%0.263SS*.Hα-helixtrans-69.3-32.4175.4-63.1-178.9177.5178-1.2111.4N1440 R1446N1440-R1442 PolarHBondContact O-N 2.94Å; N1440-R1442 VanDerWaalsContact O-N 3.14Å; N1440-R1442 WeakPolarHBondContact OD1-CB 3.37Å; N1440-R1442 PolarHBondContact OD1-N 2.86Å; R1442-R1446 VanDerWaalsContact O-CB 3.26Å; R1442-R1446 WeakPolarHBondContact O-CB 3.33Å; R1442-R1446 PolarHBondContact O-N 2.94Å
1443K67.3Low63.8Low96 Ų9660.9 Ų60.942%0.41727%0.269SS..Hα-helixtrans-73.7-45.9177.2-167.1-179.8179.8-175.30110.7N1440 I1441 R1446 I1447N1440-K1443 HydrophobicContact CB-CB 4.05Å; N1440-K1443 WeakPolarHBondContact O-CA 3.47Å; N1440-K1443 WeakPolarHBondContact O-CB 3.33Å; N1440-K1443 PolarHBondContact O-N 3.24Å; I1441-K1443 VanDerWaalsContact C-N 3.31Å; K1443-R1446 WeakPolarHBondContact O-CB 3.38Å; K1443-R1446 PolarHBondContact O-N 3.23Å; K1443-I1447 HydrophobicContact CG-CD1 4.36Å; K1443-I1447 WeakPolarHBondContact O-CG1 3.3Å; K1443-I1447 PolarHBondContact O-N 3.48Å
1444L66.4Low63.7Low12 Ų1254.2 Ų54.26%0.06324%0.24CC..Hα-helixtrans-61.9-48177.7-67.3175.5000112.4I1420 F1439 N1440 R1446 I1447 E1448 Q1735 M1736I1420-L1444 HydrophobicContact CD1-CD1 4.39Å; F1439-L1444 HydrophobicContact CB-CD1 4.25Å; F1439-L1444 HydrophobicContact CD1-CD1 4.07Å; N1440-L1444 PolarHBondContact O-N 2.95Å; L1444-R1446 VanDerWaalsContact C-N 3.27Å; L1444-R1446 PolarHBondContact O-N 3.24Å; L1444-I1447 PolarHBondContact O-N 3.16Å; L1444-E1448 PolarHBondContact O-N 3.11Å; L1444-Q1735 HydrophobicContact CB-CB 4.26Å; L1444-Q1735 VanDerWaalsContact CD2-O 3.26Å; L1444-Q1735 WeakPolarHBondContact CD2-O 3.17Å; L1444-M1736 HydrophobicContact CD2-SD 4.16Å
1445A63.6Low63.8Low29 Ų2950.3 Ų50.324%0.2422%0.224CC..Hα-helixtrans-64-32.4176.500000112.5P1415 I1441 S1449P1415-A1445 HydrophobicContact CB-CB 4.46Å; P1415-A1445 HydrophobicContact CG-CB 3.77Å; I1441-A1445 VanDerWaalsContact O-CB 3.31Å; I1441-A1445 WeakPolarHBondContact O-CB 3.38Å; I1441-A1445 PolarHBondContact O-N 3.17Å; A1445-S1449 VanDerWaalsContact O-CB 3.3Å; A1445-S1449 WeakPolarHBondContact O-CB 3.46Å; A1445-S1449 PolarHBondContact O-N 3.36Å
1446R67Low63.3Low159 Ų15951.6 Ų51.660%0.623%0.233SC*.Hα-helixtrans-68.1-44.3173.9-177.3178.6177.4172.2-0.7111.3R1442 K1443 L1444 S1449 T1450R1442-R1446 VanDerWaalsContact O-CB 3.26Å; R1442-R1446 WeakPolarHBondContact O-CB 3.33Å; R1442-R1446 PolarHBondContact O-N 2.94Å; K1443-R1446 WeakPolarHBondContact O-CB 3.38Å; K1443-R1446 PolarHBondContact O-N 3.23Å; L1444-R1446 VanDerWaalsContact C-N 3.27Å; L1444-R1446 PolarHBondContact O-N 3.24Å; R1446-S1449 PolarHBondContact O-N 3.35Å; R1446-T1450 WeakPolarHBondContact O-CB 3.46Å; R1446-T1450 PolarHBondContact O-N 3.41Å; R1446-T1450 PolarHBondContact O-OG1 2.94Å
1447I68.2Low62.5Low15 Ų1551.9 Ų51.98%0.07724%0.244CC..Hα-helixtrans-57.2-54.4175.9-71.5166.5000109.6K1443 L1444 S1449 T1450 I1451 L1641 P1642K1443-I1447 HydrophobicContact CG-CD1 4.36Å; K1443-I1447 WeakPolarHBondContact O-CG1 3.3Å; K1443-I1447 PolarHBondContact O-N 3.48Å; L1444-I1447 PolarHBondContact O-N 3.16Å; I1447-S1449 PolarHBondContact O-N 2.94Å; I1447-T1450 PolarHBondContact O-N 2.99Å; I1447-I1451 HydrophobicContact CG2-CD1 3.55Å; I1447-I1451 HydrophobicContact CG2-CG1 4.48Å; I1447-I1451 VanDerWaalsContact O-CD1 3.31Å; I1447-I1451 WeakPolarHBondContact O-CD1 3.46Å; I1447-I1451 WeakPolarHBondContact O-CG1 3.26Å; I1447-I1451 PolarHBondContact O-N 3.18Å; I1447-L1641 HydrophobicContact CG2-CD2 3.8Å; I1447-P1642 HydrophobicContact CD1-CG 4.12Å
1448E66.6Low61.6Low10 Ų1047 Ų475%0.04722%0.221CC..Hα-helixtrans-57.8-46.8-179.5-178.1172.1-152.100112.2K1413 L1444 I1451 Y1452 L1593 W1734 Q1735K1413-E1448 IonicContact NZ-OE1 3.08Å; K1413-E1448 PolarHBondContact NZ-OE1 3.45Å; K1413-E1448 IonicContact NZ-OE2 3.9Å; K1413-E1448 PolarHBondContact NZ-OE2 3.28Å; L1444-E1448 PolarHBondContact O-N 3.11Å; E1448-I1451 PolarHBondContact O-N 3.18Å; E1448-Y1452 HydrophobicContact CG-CD2 3.86Å; E1448-Y1452 HydrophobicContact CG-CE2 3.45Å; E1448-Y1452 VanDerWaalsContact CG-CE2 3.45Å; E1448-Y1452 WeakPolarHBondContact O-CD2 3.29Å; E1448-Y1452 PolarHBondContact O-N 3.42Å; E1448-L1593 HydrophobicContact CG-CD2 4.09Å; E1448-W1734 HydrophobicContact CG-CB 4.23Å; E1448-Q1735 HydrophobicContact CB-CB 4.46Å
1449S61.7Low61.1Low15 Ų1549.3 Ų49.311%0.10523%0.231CC..Hα-helixtrans-64-42.7177.4177.70000113A1445 R1446 I1447 I1451 Y1452 R1453A1445-S1449 VanDerWaalsContact O-CB 3.3Å; A1445-S1449 WeakPolarHBondContact O-CB 3.46Å; A1445-S1449 PolarHBondContact O-N 3.36Å; R1446-S1449 PolarHBondContact O-N 3.35Å; I1447-S1449 PolarHBondContact O-N 2.94Å; S1449-I1451 VanDerWaalsContact C-N 3.26Å; S1449-I1451 PolarHBondContact O-N 3.21Å; S1449-Y1452 PolarHBondContact O-N 3.34Å; S1449-R1453 PolarHBondContact O-N 3.12Å; S1449-R1453 VanDerWaalsContact O-N 3.08Å
1450T67.2Low60.1Low15 Ų1551.9 Ų51.99%0.09224%0.244CC..Hα-helixtrans-61.5-37.6176.5-670000110.7R1446 I1447 R1453 M1454 E1640R1446-T1450 WeakPolarHBondContact O-CB 3.46Å; R1446-T1450 PolarHBondContact O-N 3.41Å; R1446-T1450 PolarHBondContact O-OG1 2.94Å; I1447-T1450 PolarHBondContact O-N 2.99Å; T1450-R1453 PolarHBondContact O-N 3.44Å; T1450-M1454 WeakPolarHBondContact O-CB 3.34Å; T1450-M1454 PolarHBondContact O-N 3.47Å; T1450-E1640 HydrophobicContact CG2-CB 3.97Å; T1450-E1640 HydrophobicContact CG2-CG 3.93Å
1451I65.8Low58.9Low1 Ų151 Ų511%0.00524%0.241CC..Hα-helixtrans-68.8-47.6179.7-66.8160000111.4I1447 E1448 S1449 R1453 M1454 L1455 L1641 F1703 W1734 S1737I1447-I1451 HydrophobicContact CG2-CD1 3.55Å; I1447-I1451 HydrophobicContact CG2-CG1 4.48Å; I1447-I1451 VanDerWaalsContact O-CD1 3.31Å; I1447-I1451 WeakPolarHBondContact O-CD1 3.46Å; I1447-I1451 WeakPolarHBondContact O-CG1 3.26Å; I1447-I1451 PolarHBondContact O-N 3.18Å; E1448-I1451 PolarHBondContact O-N 3.18Å; S1449-I1451 VanDerWaalsContact C-N 3.26Å; S1449-I1451 PolarHBondContact O-N 3.21Å; I1451-R1453 PolarHBondContact O-N 3.25Å; I1451-M1454 PolarHBondContact O-N 3.29Å; I1451-M1454 VanDerWaalsContact O-N 3.16Å; I1451-L1455 HydrophobicContact CG2-CD1 3.59Å; I1451-L1455 HydrophobicContact CG2-CG 4.04Å; I1451-L1455 WeakPolarHBondContact O-CB 3.3Å; I1451-L1455 VanDerWaalsContact O-CG 3.31Å; I1451-L1455 WeakPolarHBondContact O-CG 3.36Å; I1451-L1455 PolarHBondContact O-N 3.33Å; I1451-L1641 HydrophobicContact CD1-CD2 4Å; I1451-L1641 HydrophobicContact CG1-CD2 4.17Å; I1451-F1703 HydrophobicContact CB-CZ 4.41Å; I1451-F1703 HydrophobicContact CD1-CZ 3.85Å; I1451-F1703 HydrophobicContact CG1-CE2 4.17Å; I1451-F1703 HydrophobicContact CG1-CZ 3.76Å; I1451-F1703 HydrophobicContact CG2-CZ 3.76Å; I1451-W1734 HydrophobicContact CB-CB 4.46Å; I1451-W1734 HydrophobicContact CD1-CB 3.96Å; I1451-W1734 WeakPolarHBondContact CD1-O 3.17Å; I1451-W1734 HydrophobicContact CG2-CB 4.18Å; I1451-W1734 HydrophobicContact CG2-CD2 4.09Å; I1451-W1734 HydrophobicContact CG2-CE3 4.03Å; I1451-W1734 HydrophobicContact CG2-CG 4.16Å; I1451-S1737 VanDerWaalsContact CD1-OG 3.28Å; I1451-S1737 WeakPolarHBondContact CD1-OG 3.35Å
1452Y63.1Low58Low12 Ų1252.7 Ų52.75%0.04725%0.249CC..Hα-helixtrans-56.6-39.5174.9-77.3-64.9000111.3E1448 S1449 S1456 V1574 A1577 L1593 W1734E1448-Y1452 HydrophobicContact CG-CD2 3.86Å; E1448-Y1452 HydrophobicContact CG-CE2 3.45Å; E1448-Y1452 VanDerWaalsContact CG-CE2 3.45Å; E1448-Y1452 WeakPolarHBondContact O-CD2 3.29Å; E1448-Y1452 PolarHBondContact O-N 3.42Å; S1449-Y1452 PolarHBondContact O-N 3.34Å; Y1452-S1456 WeakPolarHBondContact O-CB 3.4Å; Y1452-S1456 PolarHBondContact O-N 3.49Å; Y1452-S1456 PolarHBondContact O-OG 3.4Å; Y1452-V1574 HydrophobicContact CE1-CG1 4.2Å; Y1452-A1577 HydrophobicContact CD2-CB 4.49Å; Y1452-A1577 HydrophobicContact CG-CB 4.19Å; Y1452-L1593 HydrophobicContact CD2-CD1 4.23Å; Y1452-L1593 HydrophobicContact CD2-CD2 3.93Å; Y1452-L1593 HydrophobicContact CE2-CD2 3.58Å; Y1452-W1734 AromaticContact CE1-CD1 3.9Å; Y1452-W1734 AromaticContact CZ-CD1 3.53Å
1453R61.5Low57.1Low73 Ų7345.3 Ų45.328%0.27522%0.222SC..Hα-helixtrans-69.5-43.9175.3-166.6-172.3-60.4148.24.7112.9S1449 T1450 I1451 S1456 T1457 N1578 Q1579S1449-R1453 PolarHBondContact O-N 3.12Å; S1449-R1453 VanDerWaalsContact O-N 3.08Å; T1450-R1453 PolarHBondContact O-N 3.44Å; I1451-R1453 PolarHBondContact O-N 3.25Å; R1453-S1456 PolarHBondContact O-N 2.84Å; R1453-S1456 PolarHBondContact O-OG 3.47Å; R1453-T1457 PolarHBondContact O-N 2.8Å; R1453-T1457 PolarHBondContact O-OG1 2.85Å; R1453-N1578 PolarHBondContact NE-OD1 3.21Å; R1453-Q1579 VanDerWaalsContact NH2-CD 3.25Å
1454M63.1Low56Low2 Ų247.6 Ų47.61%0.0123%0.228CC..Hα-helixtrans-64.3-46.6-178.8178.5-168.973.300111.2T1450 I1451 S1456 T1457 E1458 W1629 Y1635 W1637 F1703T1450-M1454 WeakPolarHBondContact O-CB 3.34Å; T1450-M1454 PolarHBondContact O-N 3.47Å; I1451-M1454 PolarHBondContact O-N 3.29Å; I1451-M1454 VanDerWaalsContact O-N 3.16Å; M1454-S1456 PolarHBondContact O-N 2.95Å; M1454-T1457 PolarHBondContact O-N 3.21Å; M1454-E1458 PolarHBondContact O-N 3.24Å; M1454-W1629 HydrophobicContact CE-CH2 3.24Å; M1454-W1629 HydrophobicContact CE-CZ2 4.17Å; M1454-W1629 HydrophobicContact CE-CZ3 3.74Å; M1454-W1629 HydrophobicContact CG-CH2 4.04Å; M1454-W1629 HydrophobicContact CG-CZ2 4.21Å; M1454-W1629 HydrophobicContact SD-CH2 3.59Å; M1454-W1629 VanDerWaalsContact SD-CH2 3.59Å; M1454-W1629 HydrophobicContact SD-CZ2 4.32Å; M1454-Y1635 HydrophobicContact CB-CE1 4.27Å; M1454-Y1635 HydrophobicContact CG-CD1 3.66Å; M1454-Y1635 HydrophobicContact CG-CE1 3.42Å; M1454-Y1635 VanDerWaalsContact CG-CE1 3.42Å; M1454-Y1635 HydrophobicContact CG-CE2 4.36Å; M1454-Y1635 HydrophobicContact CG-CG 4.25Å; M1454-Y1635 HydrophobicContact SD-CD1 3.69Å; M1454-Y1635 HydrophobicContact SD-CE1 3.49Å; M1454-Y1635 WeakPolarHBondContact SD-CE1 3.08Å; M1454-W1637 HydrophobicContact SD-CB 3.51Å; M1454-W1637 VanDerWaalsContact SD-CB 3.51Å; M1454-F1703 HydrophobicContact CE-CD2 3.87Å; M1454-F1703 HydrophobicContact CE-CE2 3.29Å; M1454-F1703 HydrophobicContact CE-CZ 4.11Å; M1454-F1703 HydrophobicContact SD-CE2 4.42Å
1455L58.1Low55.2Low27 Ų2753.9 Ų53.914%0.14126%0.262CS..Hα-helixtrans-65.3-21.7176.8-65.2176.7000112.2I1451 L1626 W1629 W1734I1451-L1455 HydrophobicContact CG2-CD1 3.59Å; I1451-L1455 HydrophobicContact CG2-CG 4.04Å; I1451-L1455 WeakPolarHBondContact O-CB 3.3Å; I1451-L1455 VanDerWaalsContact O-CG 3.31Å; I1451-L1455 WeakPolarHBondContact O-CG 3.36Å; I1451-L1455 PolarHBondContact O-N 3.33Å; L1455-L1626 HydrophobicContact CD2-CD1 3.95Å; L1455-W1629 HydrophobicContact CD2-CE3 4.45Å; L1455-W1629 HydrophobicContact CD2-CH2 4.47Å; L1455-W1629 HydrophobicContact CD2-CZ3 4.31Å; L1455-W1734 HydrophobicContact CD1-CH2 4.46Å; L1455-W1734 HydrophobicContact CD1-CZ2 4.48Å
1456S51.2Low54.9Low33 Ų3353.7 Ų53.723%0.23126%0.258CS..Hα-helixtrans-88-40.5173.279.30000114.2Y1452 R1453 M1454 E1458 M1575Y1452-S1456 WeakPolarHBondContact O-CB 3.4Å; Y1452-S1456 PolarHBondContact O-N 3.49Å; Y1452-S1456 PolarHBondContact O-OG 3.4Å; R1453-S1456 PolarHBondContact O-N 2.84Å; R1453-S1456 PolarHBondContact O-OG 3.47Å; M1454-S1456 PolarHBondContact O-N 2.95Å; S1456-E1458 VanDerWaalsContact C-N 3.31Å; S1456-E1458 PolarHBondContact O-N 3.13Å; S1456-M1575 WeakPolarHBondContact OG-CE 3.24Å
1457T48.8Very low54.5Low88 Ų8846.7 Ų46.754%0.5423%0.232SC..Hα-helixtrans-70.4-25.1-175.414.70000113.4R1453 M1454R1453-T1457 PolarHBondContact O-N 2.8Å; R1453-T1457 PolarHBondContact O-OG1 2.85Å; M1454-T1457 PolarHBondContact O-N 3.21Å
1458E44.9Very low54.1Low23 Ų2348.3 Ų48.311%0.10724%0.244CC..THydrogen-bonded Turntrans-94.919.9-176.9-85.3-143132.400115.4M1454 S1456 M1460 T1461 W1629 T1633 Y1635M1454-E1458 PolarHBondContact O-N 3.24Å; S1456-E1458 VanDerWaalsContact C-N 3.31Å; S1456-E1458 PolarHBondContact O-N 3.13Å; E1458-M1460 PolarHBondContact O-N 2.69Å; E1458-T1461 PolarHBondContact OE1-OG1 2.84Å; E1458-W1629 VanDerWaalsContact OE2-CE2 3.31Å; E1458-W1629 WeakPolarHBondContact OE2-CZ2 3.44Å; E1458-W1629 PolarHBondContact OE2-NE1 3.22Å; E1458-T1633 PolarHBondContact OE1-OG1 2.89Å; E1458-T1633 WeakPolarHBondContact OE2-CB 3.47Å; E1458-T1633 PolarHBondContact OE2-OG1 2.85Å; E1458-Y1635 HydrophobicContact CG-CD2 4.28Å; E1458-Y1635 WeakPolarHBondContact OE1-CB 3.24Å
1459E44.3Very low54Low96 Ų9650.5 Ų50.545%0.44925%0.254SS..THydrogen-bonded Turntrans-50.7-9.2160.8-124.8-172.1166.500113.5F1463E1459-F1463 WeakPolarHBondContact O-CD2 3.27Å; E1459-F1463 VanDerWaalsContact O-CE2 3.31Å; E1459-F1463 WeakPolarHBondContact O-CE2 3.3Å
1460M38.6Very low54.6Low83 Ų8351.4 Ų51.441%0.40926%0.259SS..THydrogen-bonded Turntrans-113.1-25.5-166.4-73.7-72.8-110.200117.1E1458E1458-M1460 PolarHBondContact O-N 2.69Å
1461T42.6Very low55.1Low49 Ų4957.1 Ų57.130%0.30128%0.283SS..THydrogen-bonded Turntrans-94.7-40.4-165.413.50000114.9E1458 F1463E1458-T1461 PolarHBondContact OE1-OG1 2.84Å; T1461-F1463 VanDerWaalsContact C-N 3.31Å; T1461-F1463 PolarHBondContact O-N 3.08Å
1462E43.7Very low55.6Low58 Ų5857.1 Ų57.127%0.27128%0.283SS..SBendtrans-75.1-23.1-178.7-138.5-171.216100112.5R1464 N1632E1462-R1464 PolarHBondContact O-N 3.01Å; E1462-N1632 HydrophobicContact CG-CB 4.26Å; E1462-N1632 WeakPolarHBondContact OE1-CB 3.2Å; E1462-N1632 PolarHBondContact OE1-ND2 2.9Å
1463F45.1Very low56.4Low56 Ų5656.7 Ų56.725%0.24628%0.281CS..G310 helixtrans-73.6-25.1-176-65.7-83.6000114.2E1459 T1461 N1465 V1466 I1561E1459-F1463 WeakPolarHBondContact O-CD2 3.27Å; E1459-F1463 VanDerWaalsContact O-CE2 3.31Å; E1459-F1463 WeakPolarHBondContact O-CE2 3.3Å; T1461-F1463 VanDerWaalsContact C-N 3.31Å; T1461-F1463 PolarHBondContact O-N 3.08Å; F1463-N1465 PolarHBondContact O-N 3.01Å; F1463-V1466 PolarHBondContact O-N 3.46Å; F1463-I1561 HydrophobicContact CD1-CG2 3.94Å; F1463-I1561 HydrophobicContact CE1-CG2 3.72Å
1464R43.6Very low56.6Low143 Ų14353.8 Ų53.854%0.5427%0.274SS..G310 helixtrans-58.8-19-175.8-79.5-178.2176.3163.44.1115E1462 E1469E1462-R1464 PolarHBondContact O-N 3.01Å; R1464-E1469 WeakPolarHBondContact CG-OE1 3.44Å; R1464-E1469 IonicContact CZ-OE1 3.05Å; R1464-E1469 IonicContact NE-OE1 3.12Å; R1464-E1469 PolarHBondContact NE-OE1 2.86Å; R1464-E1469 IonicContact NH2-OE1 3.57Å
1465N50.7Low57Low144 Ų14455 Ų5577%0.7728%0.281SS*.G310 helixtrans-101.4-1.7-170.3-69.4-33.4000115.4F1463F1463-N1465 PolarHBondContact O-N 3.01Å
1466V58Low57.8Low25 Ų2555.4 Ų55.415%0.15228%0.281CS..THydrogen-bonded Turntrans-109.5-51.8-174.2-171.30000112.9F1463 T1553 R1557 I1561F1463-V1466 PolarHBondContact O-N 3.46Å; V1466-T1553 HydrophobicContact CG1-CG2 3.54Å; V1466-T1553 VanDerWaalsContact CG1-OG1 3.25Å; V1466-T1553 WeakPolarHBondContact CG1-OG1 3.36Å; V1466-T1553 PolarHBondContact O-OG1 3.04Å; V1466-R1557 HydrophobicContact CG1-CG 4.47Å; V1466-I1561 HydrophobicContact CB-CD1 3.89Å; V1466-I1561 HydrophobicContact CG1-CD1 3.57Å; V1466-I1561 HydrophobicContact CG2-CD1 3.8Å
1467I57.6Low58.9Low12 Ų1258.1 Ų58.16%0.06229%0.286CS..SBendtrans-132.7136.1171.5-68.2168.6000106.6F1510 F1539 V1550 T1553 A1558I1467-F1510 HydrophobicContact CB-CD1 4.08Å; I1467-F1510 HydrophobicContact CB-CE1 4.18Å; I1467-F1510 HydrophobicContact CD1-CD1 4.02Å; I1467-F1510 HydrophobicContact CD1-CD2 4.33Å; I1467-F1510 HydrophobicContact CD1-CE1 3.5Å; I1467-F1510 VanDerWaalsContact CD1-CE1 3.5Å; I1467-F1510 HydrophobicContact CD1-CE2 3.86Å; I1467-F1510 HydrophobicContact CD1-CG 4.45Å; I1467-F1510 HydrophobicContact CD1-CZ 3.43Å; I1467-F1510 VanDerWaalsContact CD1-CZ 3.43Å; I1467-F1510 HydrophobicContact CG1-CE1 4.32Å; I1467-F1510 HydrophobicContact CG2-CD1 4.11Å; I1467-F1510 HydrophobicContact CG2-CG 4.33Å; I1467-F1539 HydrophobicContact CD1-CE2 4.17Å; I1467-V1550 HydrophobicContact CD1-CG1 4.49Å; I1467-T1553 HydrophobicContact CD1-CG2 4.47Å; I1467-A1558 HydrophobicContact CD1-CB 4.16Å
1468P59.3Low60Low50 Ų5055.8 Ų55.833%0.32528%0.276SS..  trans-56.1143177.3-26.737.3000112K1549P1468-K1549 HydrophobicContact CB-CD 4.03Å; P1468-K1549 HydrophobicContact CG-CB 3.83Å; P1468-K1549 HydrophobicContact CG-CD 3.81Å; P1468-K1549 HydrophobicContact CG-CG 3.84Å
1469E64.9Low61.4Low56 Ų5659.5 Ų59.526%0.26230%0.297SS..  trans-52.1139.2178.2-67.6169169.200111R1464 Q1507 G1508R1464-E1469 WeakPolarHBondContact CG-OE1 3.44Å; R1464-E1469 IonicContact CZ-OE1 3.05Å; R1464-E1469 IonicContact NE-OE1 3.12Å; R1464-E1469 PolarHBondContact NE-OE1 2.86Å; R1464-E1469 IonicContact NH2-OE1 3.57Å; E1469-Q1507 HydrophobicContact CB-CG 3.67Å; E1469-Q1507 HydrophobicContact CG-CG 4.33Å; E1469-Q1507 VanDerWaalsContact OE2-CG 3.29Å; E1469-Q1507 WeakPolarHBondContact OE2-CG 3.48Å; E1469-Q1507 PolarHBondContact OE2-NE2 3.17Å; E1469-G1508 CarbonylContact C-O 3.45Å; E1469-G1508 WeakPolarHBondContact CA-O 3.33Å
1470V75.1Confident63.1Low34 Ų3455.4 Ų55.421%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-109.1167.2174.2-55.50000109.9V1472 G1508 F1510 M1542V1470-V1472 HydrophobicContact CG2-CG2 3.97Å; V1470-V1472 PolarHBondContact O-N 2.73Å; V1470-G1508 PolarHBondContact N-O 2.99Å; V1470-G1508 PolarHBondContact O-N 3.39Å; V1470-F1510 HydrophobicContact CG1-CB 3.79Å; V1470-F1510 VanDerWaalsContact CG2-CA 3.44Å; V1470-F1510 HydrophobicContact CG2-CB 3.93Å; V1470-M1542 HydrophobicContact CG1-CE 3.93Å
1471F77Confident65.3Low135 Ų13552.2 Ų52.259%0.59226%0.263SS*.EExtended strand (participates in β ladder)trans-77.1113.4168.6-167.8-117.3000108.8W1502F1471-W1502 HydrophobicContact CD1-CE3 4.46Å; F1471-W1502 AromaticContact CD1-CZ3 3.91Å; F1471-W1502 HydrophobicContact CD1-CZ3 3.91Å; F1471-W1502 AromaticContact CE1-CE3 3.72Å; F1471-W1502 HydrophobicContact CE1-CE3 3.72Å; F1471-W1502 AromaticContact CE1-CZ3 3.62Å; F1471-W1502 HydrophobicContact CE1-CZ3 3.62Å; F1471-W1502 HydrophobicContact CZ-CE3 4.48Å
1472V76.4Confident67.1Low1 Ų154 Ų541%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-98.2132.7-177.2178.70000107.8V1470 G1474 S1505 H1506 S1509 A1512 D1513V1470-V1472 HydrophobicContact CG2-CG2 3.97Å; V1470-V1472 PolarHBondContact O-N 2.73Å; V1472-G1474 VanDerWaalsContact C-N 3.29Å; V1472-S1505 CarbonylContact O-C 3.54Å; V1472-S1505 WeakPolarHBondContact O-CA 3.44Å; V1472-S1505 WeakPolarHBondContact O-CB 3.46Å; V1472-H1506 WeakPolarHBondContact CB-O 3.38Å; V1472-H1506 PolarHBondContact N-O 2.91Å; V1472-H1506 PolarHBondContact O-N 2.91Å; V1472-S1509 WeakPolarHBondContact CG2-O 3.41Å; V1472-A1512 HydrophobicContact CG1-CB 3.73Å; V1472-A1512 HydrophobicContact CG2-CB 4.25Å; V1472-D1513 WeakPolarHBondContact CA-OD2 3.24Å; V1472-D1513 VanDerWaalsContact CG1-OD1 3.23Å; V1472-D1513 WeakPolarHBondContact CG1-OD1 3.46Å
1473H80.9Confident69.2Low2 Ų255.2 Ų55.21%0.00927%0.274CS..  trans-63.9-37.4175.6-178-83.2000111.3D1475 F1476 I1499 I1500 D1501 W1502 M1504 S1505 D1513H1473-D1475 PolarHBondContact CE1-O 3.5Å; H1473-D1475 PolarHBondContact ND1-N 3.43Å; H1473-D1475 PolarHBondContact ND1-O 3.33Å; H1473-D1475 VanDerWaalsContact ND1-O 3.11Å; H1473-D1475 PolarHBondContact O-N 3.48Å; H1473-D1475 VanDerWaalsContact O-N 3.15Å; H1473-F1476 HydrophobicContact CB-CB 4.11Å; H1473-F1476 HydrophobicContact CB-CD2 3.95Å; H1473-F1476 HydrophobicContact CB-CG 4.41Å; H1473-F1476 AromaticContact CG-CD2 3.89Å; H1473-F1476 PolarHBondContact ND1-N 3.22Å; H1473-I1499 VanDerWaalsContact CD2-CG2 3.41Å; H1473-I1499 WeakPolarHBondContact CD2-CG2 3.47Å; H1473-I1500 PolarHBondContact CE1-O 3.16Å; H1473-I1500 PolarHBondContact NE2-O 3.19Å; H1473-D1501 PolarHBondContact CE1-O 3.15Å; H1473-D1501 PolarHBondContact NE2-O 2.93Å; H1473-W1502 HydrophobicContact CB-CE3 4.35Å; H1473-W1502 HydrophobicContact CB-CZ3 4.02Å; H1473-W1502 AromaticContact CD2-CD2 3.52Å; H1473-W1502 AromaticContact CD2-CE2 3.66Å; H1473-W1502 AromaticContact CD2-CE3 3.54Å; H1473-W1502 AromaticContact CD2-CH2 3.87Å; H1473-W1502 AromaticContact CD2-CZ2 3.85Å; H1473-W1502 AromaticContact CD2-CZ3 3.71Å; H1473-W1502 AromaticContact NE2-CD2 3.99Å; H1473-M1504 CarbonylContact O-C 3.49Å; H1473-M1504 VanDerWaalsContact O-C 3.26Å; H1473-S1505 VanDerWaalsContact O-CA 3.29Å; H1473-S1505 WeakPolarHBondContact O-CA 3.5Å; H1473-S1505 PolarHBondContact O-N 3.46Å; H1473-D1513 PolarHBondContact N-OD1 3.22Å; H1473-D1513 PolarHBondContact N-OD2 3.48Å
1474G63.8Low71.1Confident12 Ų1257.1 Ų57.112%0.12428%0.284CS..SBendtrans85.8-27.217200000113.7V1472 D1513V1472-G1474 VanDerWaalsContact C-N 3.29Å; G1474-D1513 PolarHBondContact N-OD1 2.89Å
1475D73.2Confident72.7Confident29 Ų2954.2 Ų54.216%0.15528%0.282CS..SBendtrans-129.655.2169.6-162.943.9000112.8H1473 W1477 N1480 M1504 R1516H1473-D1475 PolarHBondContact CE1-O 3.5Å; H1473-D1475 PolarHBondContact ND1-N 3.43Å; H1473-D1475 PolarHBondContact ND1-O 3.33Å; H1473-D1475 VanDerWaalsContact ND1-O 3.11Å; H1473-D1475 PolarHBondContact O-N 3.48Å; H1473-D1475 VanDerWaalsContact O-N 3.15Å; D1475-W1477 PolarHBondContact O-N 3.33Å; D1475-W1477 PolarHBondContact OD2-NE1 3.41Å; D1475-N1480 PolarHBondContact O-ND2 3.21Å; D1475-N1480 PolarHBondContact OD2-ND2 3.46Å; D1475-M1504 HydrophobicContact CB-CB 4.18Å; D1475-M1504 HydrophobicContact CB-CG 4.18Å; D1475-R1516 IonicContact OD1-CZ 3.3Å; D1475-R1516 IonicContact OD1-NE 3.99Å; D1475-R1516 IonicContact OD1-NH2 2.88Å; D1475-R1516 PolarHBondContact OD1-NH2 3.12Å
1476F74.9Confident73.7Confident35 Ų3550.8 Ų50.815%0.15426%0.263CS..  trans-84.393.8-173.6-159.3-115.8000112.2H1473 I1481 I1499 D1513 R1516 L1517H1473-F1476 HydrophobicContact CB-CB 4.11Å; H1473-F1476 HydrophobicContact CB-CD2 3.95Å; H1473-F1476 HydrophobicContact CB-CG 4.41Å; H1473-F1476 AromaticContact CG-CD2 3.89Å; H1473-F1476 PolarHBondContact ND1-N 3.22Å; F1476-I1481 HydrophobicContact CE1-CD1 4.09Å; F1476-I1481 HydrophobicContact CE2-CD1 4.2Å; F1476-I1481 HydrophobicContact CE2-CG1 4.12Å; F1476-I1481 HydrophobicContact CZ-CD1 3.86Å; F1476-I1481 HydrophobicContact CZ-CG1 4.22Å; F1476-I1499 HydrophobicContact CD2-CG2 4.18Å; F1476-I1499 HydrophobicContact CE2-CD1 3.67Å; F1476-I1499 HydrophobicContact CE2-CG1 3.93Å; F1476-I1499 HydrophobicContact CE2-CG2 3.85Å; F1476-I1499 HydrophobicContact CZ-CD1 4.12Å; F1476-D1513 HydrophobicContact CB-CB 3.64Å; F1476-D1513 WeakPolarHBondContact CB-OD1 3.47Å; F1476-D1513 HydrophobicContact CD1-CB 3.77Å; F1476-D1513 HydrophobicContact CG-CB 3.8Å; F1476-R1516 WeakPolarHBondContact O-CG 3.21Å; F1476-L1517 HydrophobicContact CD1-CB 4.12Å; F1476-L1517 HydrophobicContact CD1-CD1 4.47Å; F1476-L1517 HydrophobicContact CE1-CD1 4.48Å; F1476-L1517 HydrophobicContact CE1-CD2 4.26Å; F1476-L1517 PolarHBondContact O-N 3.14Å
1477W73.8Confident74.3Confident89 Ų8954.8 Ų54.834%0.33729%0.293SS..SBendtrans-141171.3177.874.9-62.8000112.3D1475 N1479 N1480 N1521D1475-W1477 PolarHBondContact O-N 3.33Å; D1475-W1477 PolarHBondContact OD2-NE1 3.41Å; W1477-N1479 VanDerWaalsContact C-N 3.29Å; W1477-N1479 HydrophobicContact CD2-CB 4.1Å; W1477-N1479 HydrophobicContact CE3-CB 4.28Å; W1477-N1479 HydrophobicContact CH2-CB 3.94Å; W1477-N1479 WeakPolarHBondContact CH2-ND2 3.34Å; W1477-N1479 HydrophobicContact CZ2-CB 3.67Å; W1477-N1479 WeakPolarHBondContact CZ2-ND2 3.43Å; W1477-N1479 HydrophobicContact CZ3-CB 4.21Å; W1477-N1479 WeakPolarHBondContact CZ3-ND2 3.46Å; W1477-N1479 PolarHBondContact O-N 2.88Å; W1477-N1479 VanDerWaalsContact O-N 3.15Å; W1477-N1480 VanDerWaalsContact CD1-ND2 3.34Å; W1477-N1480 PolarHBondContact NE1-ND2 3.42Å; W1477-N1480 PolarHBondContact O-N 3Å; W1477-N1521 VanDerWaalsContact CA-ND2 3.27Å; W1477-N1521 WeakPolarHBondContact CA-ND2 3.24Å; W1477-N1521 WeakPolarHBondContact CB-ND2 3.46Å
1478A70.6Confident74.8Confident39 Ų3963.4 Ų63.432%0.32233%0.33SS..G310 helixtrans-56-37.7-166.600000114.2N1480 I1481 N1521A1478-N1480 PolarHBondContact O-N 3.3Å; A1478-I1481 PolarHBondContact O-N 3.03Å; A1478-N1521 HydrophobicContact CB-CB 4.17Å; A1478-N1521 WeakPolarHBondContact CB-OD1 3.43Å; A1478-N1521 VanDerWaalsContact N-CG 3.32Å; A1478-N1521 PolarHBondContact N-ND2 3.26Å; A1478-N1521 VanDerWaalsContact N-ND2 3.18Å; A1478-N1521 PolarHBondContact N-OD1 3.05Å; A1478-N1521 VanDerWaalsContact N-OD1 3.11Å
1479N75Confident75.2Confident101 Ų10165.1 Ų65.154%0.5434%0.339SS..G310 helixtrans-68.1-19.6-180-71.5-3.3000113.4W1477 I1481W1477-N1479 VanDerWaalsContact C-N 3.29Å; W1477-N1479 HydrophobicContact CD2-CB 4.1Å; W1477-N1479 HydrophobicContact CE3-CB 4.28Å; W1477-N1479 HydrophobicContact CH2-CB 3.94Å; W1477-N1479 WeakPolarHBondContact CH2-ND2 3.34Å; W1477-N1479 HydrophobicContact CZ2-CB 3.67Å; W1477-N1479 WeakPolarHBondContact CZ2-ND2 3.43Å; W1477-N1479 HydrophobicContact CZ3-CB 4.21Å; W1477-N1479 WeakPolarHBondContact CZ3-ND2 3.46Å; W1477-N1479 PolarHBondContact O-N 2.88Å; W1477-N1479 VanDerWaalsContact O-N 3.15Å; N1479-I1481 VanDerWaalsContact C-N 3.34Å
1480N79.4Confident75Confident11 Ų1168.9 Ų68.96%0.05936%0.361CS..G310 helixtrans-93.66.2176.5-71.6-10.8000112.3D1475 W1477 A1478 I1499 I1500 D1501D1475-N1480 PolarHBondContact O-ND2 3.21Å; D1475-N1480 PolarHBondContact OD2-ND2 3.46Å; W1477-N1480 VanDerWaalsContact CD1-ND2 3.34Å; W1477-N1480 PolarHBondContact NE1-ND2 3.42Å; W1477-N1480 PolarHBondContact O-N 3Å; A1478-N1480 PolarHBondContact O-N 3.3Å; N1480-I1499 CarbonylContact O-C 3.49Å; N1480-I1499 VanDerWaalsContact O-CA 3.26Å; N1480-I1499 WeakPolarHBondContact O-CA 3.46Å; N1480-I1500 VanDerWaalsContact CB-O 3.27Å; N1480-I1500 WeakPolarHBondContact CB-O 3.47Å; N1480-I1500 PolarHBondContact O-N 3Å; N1480-D1501 WeakPolarHBondContact OD1-CB 3.37Å
1481I84.8Confident74.3Confident16 Ų1670.2 Ų70.28%0.08237%0.372CS..EExtended strand (participates in β ladder)trans-119.4111.3179.2-55.2170.4000108.8F1476 A1478 N1479 F1483 V1496 L1517F1476-I1481 HydrophobicContact CE1-CD1 4.09Å; F1476-I1481 HydrophobicContact CE2-CD1 4.2Å; F1476-I1481 HydrophobicContact CE2-CG1 4.12Å; F1476-I1481 HydrophobicContact CZ-CD1 3.86Å; F1476-I1481 HydrophobicContact CZ-CG1 4.22Å; A1478-I1481 PolarHBondContact O-N 3.03Å; N1479-I1481 VanDerWaalsContact C-N 3.34Å; I1481-F1483 HydrophobicContact CB-CE2 4.02Å; I1481-F1483 HydrophobicContact CB-CZ 4.48Å; I1481-F1483 HydrophobicContact CG2-CD2 4.09Å; I1481-F1483 HydrophobicContact CG2-CE1 4.33Å; I1481-F1483 HydrophobicContact CG2-CE2 3.54Å; I1481-F1483 HydrophobicContact CG2-CZ 3.67Å; I1481-F1483 WeakPolarHBondContact O-CD2 3.42Å; I1481-V1496 HydrophobicContact CG2-CB 4.39Å; I1481-V1496 HydrophobicContact CG2-CG1 3.79Å; I1481-V1496 HydrophobicContact CG2-CG2 3.79Å; I1481-L1517 HydrophobicContact CD1-CD1 3.64Å
1482L81.7Confident73.8Confident86 Ų8668.2 Ų68.245%0.4537%0.371SS..EExtended strand (participates in β ladder)trans-88.4131.3173-59.4177.1000109.1V1496 A1497 G1498 I1500L1482-V1496 CarbonylContact O-C 3.52Å; L1482-V1496 WeakPolarHBondContact O-CA 3.44Å; L1482-A1497 WeakPolarHBondContact O-CA 3.41Å; L1482-A1497 PolarHBondContact O-N 3.45Å; L1482-G1498 PolarHBondContact N-O 2.86Å; L1482-G1498 PolarHBondContact O-N 2.86Å; L1482-G1498 VanDerWaalsContact O-N 3.09Å; L1482-I1500 HydrophobicContact CD1-CD1 4.48Å; L1482-I1500 HydrophobicContact CD1-CG2 3.78Å; L1482-I1500 HydrophobicContact CD2-CD1 4.22Å; L1482-I1500 HydrophobicContact CG-CD1 4.32Å; L1482-I1500 HydrophobicContact CG-CG2 4.28Å
1483F86.4Confident73.8Confident83 Ų8369.4 Ų69.436%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-108.4150177.7-69.5-92.7000110.4I1481 V1485 V1492 R1495 V1496I1481-F1483 HydrophobicContact CB-CE2 4.02Å; I1481-F1483 HydrophobicContact CB-CZ 4.48Å; I1481-F1483 HydrophobicContact CG2-CD2 4.09Å; I1481-F1483 HydrophobicContact CG2-CE1 4.33Å; I1481-F1483 HydrophobicContact CG2-CE2 3.54Å; I1481-F1483 HydrophobicContact CG2-CZ 3.67Å; I1481-F1483 WeakPolarHBondContact O-CD2 3.42Å; F1483-V1485 PolarHBondContact O-N 2.93Å; F1483-V1492 HydrophobicContact CB-CG1 3.18Å; F1483-V1492 HydrophobicContact CD2-CG1 4.39Å; F1483-V1492 HydrophobicContact CG-CG1 3.95Å; F1483-R1495 CarbonylContact C-O 3.58Å; F1483-R1495 VanDerWaalsContact CA-O 3.26Å; F1483-R1495 WeakPolarHBondContact CA-O 3.36Å; F1483-V1496 HydrophobicContact CD1-CG2 4.14Å; F1483-V1496 HydrophobicContact CE1-CG2 3.81Å; F1483-V1496 HydrophobicContact CZ-CG2 4.38Å
1484E85.2Confident73.6Confident97 Ų9777.2 Ų77.245%0.45343%0.425SS..EExtended strand (participates in β ladder)trans-63.4129.7174.7-74.3-175.4159.900109.6G1493 R1495 A1497E1484-G1493 PolarHBondContact O-N 3.5Å; E1484-R1495 HydrophobicContact CB-CB 4.26Å; E1484-R1495 HydrophobicContact CG-CB 4.18Å; E1484-R1495 PolarHBondContact N-O 3.5Å; E1484-R1495 WeakPolarHBondContact OE2-CB 3.47Å; E1484-R1495 WeakPolarHBondContact OE2-CD 3.48Å; E1484-A1497 HydrophobicContact CG-CB 3.87Å
1485V78.3Confident74.4Confident81 Ų8185.3 Ų85.349%0.49145%0.452SS..EExtended strand (participates in β ladder)trans-87.2126.2173.5-1780000108.5F1483 S1487F1483-V1485 PolarHBondContact O-N 2.93Å; V1485-S1487 PolarHBondContact O-N 3.26Å; V1485-S1487 VanDerWaalsContact O-N 3.1Å
1486D72.3Confident74.8Confident72 Ų7287.6 Ų87.639%0.38547%0.467SS..  trans-67.9109.5171.1-178.1-16.3000108.9K1488 T1489 N1490 S1491D1486-K1488 PolarHBondContact O-N 2.93Å; D1486-K1488 WeakPolarHBondContact OD1-CB 3.35Å; D1486-K1488 PolarHBondContact OD1-N 3.28Å; D1486-T1489 WeakPolarHBondContact CB-OG1 3.46Å; D1486-T1489 PolarHBondContact O-N 3.4Å; D1486-N1490 VanDerWaalsContact O-CA 3.24Å; D1486-N1490 WeakPolarHBondContact O-CA 3.28Å; D1486-N1490 PolarHBondContact O-N 3.39Å; D1486-S1491 PolarHBondContact N-O 3.28Å
1487S70.1Confident75.3Confident110 Ų11089 Ų8977%0.76949%0.485SS*.THydrogen-bonded Turntrans-54.2-21.3179.457.70000115.2V1485V1485-S1487 PolarHBondContact O-N 3.26Å; V1485-S1487 VanDerWaalsContact O-N 3.1Å
1488K68.5Low76Confident192 Ų19285.9 Ų85.984%0.83548%0.48SS*.THydrogen-bonded Turntrans-89-40.4-178.9-69-175.2179.2179.70113.3D1486D1486-K1488 PolarHBondContact O-N 2.93Å; D1486-K1488 WeakPolarHBondContact OD1-CB 3.35Å; D1486-K1488 PolarHBondContact OD1-N 3.28Å
1489T66.8Low76.7Confident87 Ų8787 Ų8753%0.53448%0.48SS..THydrogen-bonded Turntrans-97-12.5-178.955.90000112.4D1486 S1491D1486-T1489 WeakPolarHBondContact CB-OG1 3.46Å; D1486-T1489 PolarHBondContact O-N 3.4Å; T1489-S1491 PolarHBondContact O-N 3.27Å; T1489-S1491 VanDerWaalsContact O-N 3.12Å; T1489-S1491 PolarHBondContact OG1-N 3.09Å; T1489-S1491 PolarHBondContact OG1-OG 2.91Å
1490N61Low77.2Confident135 Ų13585.7 Ų85.772%0.72247%0.472SS*.  trans5421.6-168.7-142.334.9000112.8D1486D1486-N1490 VanDerWaalsContact O-CA 3.24Å; D1486-N1490 WeakPolarHBondContact O-CA 3.28Å; D1486-N1490 PolarHBondContact O-N 3.39Å
1491S60.5Low76.6Confident61 Ų6188.2 Ų88.243%0.42749%0.486SS..  trans-97.1148.1176.467.30000110.1D1486 T1489 G1493D1486-S1491 PolarHBondContact N-O 3.28Å; T1489-S1491 PolarHBondContact O-N 3.27Å; T1489-S1491 VanDerWaalsContact O-N 3.12Å; T1489-S1491 PolarHBondContact OG1-N 3.09Å; T1489-S1491 PolarHBondContact OG1-OG 2.91Å; S1491-G1493 PolarHBondContact O-N 3.37Å
1492V67.1Low76.5Confident94 Ų9492.8 Ų92.857%0.5750%0.502SS*.EExtended strand (participates in β ladder)trans-68.1126.6174.4-172.50000109.3F1483F1483-V1492 HydrophobicContact CB-CG1 3.18Å; F1483-V1492 HydrophobicContact CD2-CG1 4.39Å; F1483-V1492 HydrophobicContact CG-CG1 3.95Å
1493G75.4Confident75.7Confident26 Ų2695.7 Ų95.727%0.26851%0.513SS..EExtended strand (participates in β ladder)trans-90.3175.6174.900000112.9E1484 S1491 R1495E1484-G1493 PolarHBondContact O-N 3.5Å; S1491-G1493 PolarHBondContact O-N 3.37Å; G1493-R1495 VanDerWaalsContact C-N 3.26Å; G1493-R1495 PolarHBondContact O-N 2.85Å
1494D76.6Confident74.2Confident165 Ų16597.1 Ų97.188%0.88252%0.522SS*.EExtended strand (participates in β ladder)trans-78.5-6-174.5-56.7-30.4000114.2
1495R80.4Confident73.7Confident182 Ų18294.6 Ų94.669%0.68752%0.516SS*.EExtended strand (participates in β ladder)trans-86.8124.3-177.7-78.1-173172.8-1650.7110.8F1483 E1484 G1493 A1497F1483-R1495 CarbonylContact C-O 3.58Å; F1483-R1495 VanDerWaalsContact CA-O 3.26Å; F1483-R1495 WeakPolarHBondContact CA-O 3.36Å; E1484-R1495 HydrophobicContact CB-CB 4.26Å; E1484-R1495 HydrophobicContact CG-CB 4.18Å; E1484-R1495 PolarHBondContact N-O 3.5Å; E1484-R1495 WeakPolarHBondContact OE2-CB 3.47Å; E1484-R1495 WeakPolarHBondContact OE2-CD 3.48Å; G1493-R1495 VanDerWaalsContact C-N 3.26Å; G1493-R1495 PolarHBondContact O-N 2.85Å; R1495-A1497 PolarHBondContact O-N 2.94Å
1496V82.7Confident73.2Confident78 Ų7894.9 Ų94.947%0.47351%0.512SS..EExtended strand (participates in β ladder)trans-68.8117.2171178.30000109.3I1481 L1482 F1483 I1499I1481-V1496 HydrophobicContact CG2-CB 4.39Å; I1481-V1496 HydrophobicContact CG2-CG1 3.79Å; I1481-V1496 HydrophobicContact CG2-CG2 3.79Å; L1482-V1496 CarbonylContact O-C 3.52Å; L1482-V1496 WeakPolarHBondContact O-CA 3.44Å; F1483-V1496 HydrophobicContact CD1-CG2 4.14Å; F1483-V1496 HydrophobicContact CE1-CG2 3.81Å; F1483-V1496 HydrophobicContact CZ-CG2 4.38Å; V1496-I1499 HydrophobicContact CG1-CG1 4.29Å
1497A85.3Confident72.6Confident64 Ų6497.2 Ų97.253%0.52952%0.52SS..EExtended strand (participates in β ladder)trans-81.5-31.8173.600000112.4L1482 E1484 R1495L1482-A1497 WeakPolarHBondContact O-CA 3.41Å; L1482-A1497 PolarHBondContact O-N 3.45Å; E1484-A1497 HydrophobicContact CG-CB 3.87Å; R1495-A1497 PolarHBondContact O-N 2.94Å
1498G86.9Confident72.4Confident23 Ų2392.1 Ų92.124%0.23749%0.485CS..EExtended strand (participates in β ladder)trans-173.1164.1-179.900000113.9L1482L1482-G1498 PolarHBondContact N-O 2.86Å; L1482-G1498 PolarHBondContact O-N 2.86Å; L1482-G1498 VanDerWaalsContact O-N 3.09Å
1499I87.2Confident72.3Confident62 Ų6284.2 Ų84.232%0.31845%0.454SS..EExtended strand (participates in β ladder)trans-122.5129.2173.8-62.3158.9000107.6H1473 F1476 N1480 V1496 W1502H1473-I1499 VanDerWaalsContact CD2-CG2 3.41Å; H1473-I1499 WeakPolarHBondContact CD2-CG2 3.47Å; F1476-I1499 HydrophobicContact CD2-CG2 4.18Å; F1476-I1499 HydrophobicContact CE2-CD1 3.67Å; F1476-I1499 HydrophobicContact CE2-CG1 3.93Å; F1476-I1499 HydrophobicContact CE2-CG2 3.85Å; F1476-I1499 HydrophobicContact CZ-CD1 4.12Å; N1480-I1499 CarbonylContact O-C 3.49Å; N1480-I1499 VanDerWaalsContact O-CA 3.26Å; N1480-I1499 WeakPolarHBondContact O-CA 3.46Å; V1496-I1499 HydrophobicContact CG1-CG1 4.29Å; I1499-W1502 HydrophobicContact CB-CZ2 4Å; I1499-W1502 HydrophobicContact CG2-CH2 4.44Å; I1499-W1502 HydrophobicContact CG2-CZ2 3.73Å; I1499-W1502 PolarHBondContact O-NE1 3.03Å
1500I85.2Confident72.6Confident75 Ų7580.6 Ų80.639%0.38543%0.431SS..  trans-122.4168-173.962.4173.8000111.5H1473 N1480 L1482H1473-I1500 PolarHBondContact CE1-O 3.16Å; H1473-I1500 PolarHBondContact NE2-O 3.19Å; N1480-I1500 VanDerWaalsContact CB-O 3.27Å; N1480-I1500 WeakPolarHBondContact CB-O 3.47Å; N1480-I1500 PolarHBondContact O-N 3Å; L1482-I1500 HydrophobicContact CD1-CD1 4.48Å; L1482-I1500 HydrophobicContact CD1-CG2 3.78Å; L1482-I1500 HydrophobicContact CD2-CD1 4.22Å; L1482-I1500 HydrophobicContact CG-CD1 4.32Å; L1482-I1500 HydrophobicContact CG-CG2 4.28Å
1501D66.4Low73.1Confident63 Ų6374.1 Ų74.134%0.33740%0.396SS..  trans64.563.9178.7-162.38.4000116H1473 N1480 Q1503H1473-D1501 PolarHBondContact CE1-O 3.15Å; H1473-D1501 PolarHBondContact NE2-O 2.93Å; N1480-D1501 WeakPolarHBondContact OD1-CB 3.37Å; D1501-Q1503 VanDerWaalsContact CG-NE2 3.3Å; D1501-Q1503 PolarHBondContact O-N 2.89Å; D1501-Q1503 VanDerWaalsContact OD1-CD 3.27Å; D1501-Q1503 WeakPolarHBondContact OD1-CG 3.48Å; D1501-Q1503 PolarHBondContact OD1-NE2 3.35Å; D1501-Q1503 PolarHBondContact OD2-NE2 3.12Å
1502W81.8Confident73.4Confident112 Ų11272.3 Ų72.342%0.42439%0.385SS..G310 helixtrans-81.816.4-178.5-66.482.8000114.5F1471 H1473 I1499 M1504 S1505F1471-W1502 HydrophobicContact CD1-CE3 4.46Å; F1471-W1502 AromaticContact CD1-CZ3 3.91Å; F1471-W1502 HydrophobicContact CD1-CZ3 3.91Å; F1471-W1502 AromaticContact CE1-CE3 3.72Å; F1471-W1502 HydrophobicContact CE1-CE3 3.72Å; F1471-W1502 AromaticContact CE1-CZ3 3.62Å; F1471-W1502 HydrophobicContact CE1-CZ3 3.62Å; F1471-W1502 HydrophobicContact CZ-CE3 4.48Å; H1473-W1502 HydrophobicContact CB-CE3 4.35Å; H1473-W1502 HydrophobicContact CB-CZ3 4.02Å; H1473-W1502 AromaticContact CD2-CD2 3.52Å; H1473-W1502 AromaticContact CD2-CE2 3.66Å; H1473-W1502 AromaticContact CD2-CE3 3.54Å; H1473-W1502 AromaticContact CD2-CH2 3.87Å; H1473-W1502 AromaticContact CD2-CZ2 3.85Å; H1473-W1502 AromaticContact CD2-CZ3 3.71Å; H1473-W1502 AromaticContact NE2-CD2 3.99Å; I1499-W1502 HydrophobicContact CB-CZ2 4Å; I1499-W1502 HydrophobicContact CG2-CH2 4.44Å; I1499-W1502 HydrophobicContact CG2-CZ2 3.73Å; I1499-W1502 PolarHBondContact O-NE1 3.03Å; W1502-M1504 PolarHBondContact O-N 2.82Å; W1502-S1505 VanDerWaalsContact O-CB 3.28Å; W1502-S1505 WeakPolarHBondContact O-CB 3.37Å; W1502-S1505 PolarHBondContact O-N 2.88Å; W1502-S1505 VanDerWaalsContact O-N 3.07Å; W1502-S1505 PolarHBondContact O-OG 3.24Å
1503Q65.6Low73.9Confident147 Ų14769.3 Ų69.369%0.68737%0.365SS*.G310 helixtrans-62.8-25.7-172.368.4-177-47.400113.7D1501D1501-Q1503 VanDerWaalsContact CG-NE2 3.3Å; D1501-Q1503 PolarHBondContact O-N 2.89Å; D1501-Q1503 VanDerWaalsContact OD1-CD 3.27Å; D1501-Q1503 WeakPolarHBondContact OD1-CG 3.48Å; D1501-Q1503 PolarHBondContact OD1-NE2 3.35Å; D1501-Q1503 PolarHBondContact OD2-NE2 3.12Å
1504M55Low74Confident113 Ų11369 Ų6956%0.55736%0.358SS*.G310 helixtrans-97.810.2179-65.2-59.8-75.300113.6H1473 D1475 W1502 H1506H1473-M1504 CarbonylContact O-C 3.49Å; H1473-M1504 VanDerWaalsContact O-C 3.26Å; D1475-M1504 HydrophobicContact CB-CB 4.18Å; D1475-M1504 HydrophobicContact CB-CG 4.18Å; W1502-M1504 PolarHBondContact O-N 2.82Å; M1504-H1506 PolarHBondContact O-N 3.41Å; M1504-H1506 PolarHBondContact O-ND1 3.41Å
1505S73.9Confident73.8Confident45 Ų4561.2 Ų61.232%0.31532%0.316SS..  trans-66.4134.3-173.8590000112.4V1472 H1473 W1502V1472-S1505 CarbonylContact O-C 3.54Å; V1472-S1505 WeakPolarHBondContact O-CA 3.44Å; V1472-S1505 WeakPolarHBondContact O-CB 3.46Å; H1473-S1505 VanDerWaalsContact O-CA 3.29Å; H1473-S1505 WeakPolarHBondContact O-CA 3.5Å; H1473-S1505 PolarHBondContact O-N 3.46Å; W1502-S1505 VanDerWaalsContact O-CB 3.28Å; W1502-S1505 WeakPolarHBondContact O-CB 3.37Å; W1502-S1505 PolarHBondContact O-N 2.88Å; W1502-S1505 VanDerWaalsContact O-N 3.07Å; W1502-S1505 PolarHBondContact O-OG 3.24Å
1506H68.2Low73.2Confident87 Ų8757.4 Ų57.440%0.40330%0.301SS..EExtended strand (participates in β ladder)trans-153.4166.3-176.660.7-81.1000111.3V1472 M1504V1472-H1506 WeakPolarHBondContact CB-O 3.38Å; V1472-H1506 PolarHBondContact N-O 2.91Å; V1472-H1506 PolarHBondContact O-N 2.91Å; M1504-H1506 PolarHBondContact O-N 3.41Å; M1504-H1506 PolarHBondContact O-ND1 3.41Å
1507Q59.7Low72.8Confident120 Ų12055.5 Ų55.556%0.56129%0.289SS*.EExtended strand (participates in β ladder)trans-80.1124.7173.2-176.7171.1-4.300109.1E1469E1469-Q1507 HydrophobicContact CB-CG 3.67Å; E1469-Q1507 HydrophobicContact CG-CG 4.33Å; E1469-Q1507 VanDerWaalsContact OE2-CG 3.29Å; E1469-Q1507 WeakPolarHBondContact OE2-CG 3.48Å; E1469-Q1507 PolarHBondContact OE2-NE2 3.17Å
1508G66.3Low72Confident3 Ų352.8 Ų52.83%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-165.5-165.8-172.900000115.1E1469 V1470E1469-G1508 CarbonylContact C-O 3.45Å; E1469-G1508 WeakPolarHBondContact CA-O 3.33Å; V1470-G1508 PolarHBondContact N-O 2.99Å; V1470-G1508 PolarHBondContact O-N 3.39Å
1509S67.4Low70.7Confident26 Ų2653.4 Ų53.418%0.18227%0.265CS..  trans-70.4138-178.7178.20000111.9V1472 A1511 A1512V1472-S1509 WeakPolarHBondContact CG2-O 3.41Å; S1509-A1511 PolarHBondContact O-N 3.19Å; S1509-A1511 PolarHBondContact OG-N 2.93Å; S1509-A1512 WeakPolarHBondContact O-CB 3.34Å; S1509-A1512 PolarHBondContact O-N 2.91Å
1510F72.6Confident69.1Low11 Ų1152.8 Ų52.85%0.04826%0.264CS..THydrogen-bonded Turntrans-58.6-18.4171.880-66.5000113.9I1467 V1470 F1535 Y1538 M1542 A1558I1467-F1510 HydrophobicContact CB-CD1 4.08Å; I1467-F1510 HydrophobicContact CB-CE1 4.18Å; I1467-F1510 HydrophobicContact CD1-CD1 4.02Å; I1467-F1510 HydrophobicContact CD1-CD2 4.33Å; I1467-F1510 HydrophobicContact CD1-CE1 3.5Å; I1467-F1510 VanDerWaalsContact CD1-CE1 3.5Å; I1467-F1510 HydrophobicContact CD1-CE2 3.86Å; I1467-F1510 HydrophobicContact CD1-CG 4.45Å; I1467-F1510 HydrophobicContact CD1-CZ 3.43Å; I1467-F1510 VanDerWaalsContact CD1-CZ 3.43Å; I1467-F1510 HydrophobicContact CG1-CE1 4.32Å; I1467-F1510 HydrophobicContact CG2-CD1 4.11Å; I1467-F1510 HydrophobicContact CG2-CG 4.33Å; V1470-F1510 HydrophobicContact CG1-CB 3.79Å; V1470-F1510 VanDerWaalsContact CG2-CA 3.44Å; V1470-F1510 HydrophobicContact CG2-CB 3.93Å; F1510-F1535 AromaticContact CE2-CE2 3.82Å; F1510-F1535 HydrophobicContact CE2-CE2 3.82Å; F1510-F1535 AromaticContact CE2-CZ 3.53Å; F1510-F1535 HydrophobicContact CE2-CZ 3.53Å; F1510-F1535 HydrophobicContact CZ-CE2 4.24Å; F1510-F1535 AromaticContact CZ-CZ 3.74Å; F1510-F1535 HydrophobicContact CZ-CZ 3.74Å; F1510-Y1538 HydrophobicContact CB-CE1 4.4Å; F1510-Y1538 HydrophobicContact CD2-CD1 4.24Å; F1510-Y1538 AromaticContact CD2-CE1 3.5Å; F1510-Y1538 HydrophobicContact CD2-CE1 3.5Å; F1510-Y1538 HydrophobicContact CE2-CE1 4.18Å; F1510-Y1538 HydrophobicContact CG-CE1 4.38Å; F1510-Y1538 VanDerWaalsContact O-CE1 3.23Å; F1510-Y1538 WeakPolarHBondContact O-CE1 3.48Å; F1510-Y1538 PolarHBondContact O-OH 2.79Å; F1510-M1542 HydrophobicContact CB-CE 4.47Å; F1510-A1558 HydrophobicContact CZ-CB 4.2Å
1511A70.3Confident67.9Low0 Ų052 Ų520%026%0.261CS..THydrogen-bonded Turntrans-81-20.7176.700000113.9S1509 L1514 C1515 F1562 T1565S1509-A1511 PolarHBondContact O-N 3.19Å; S1509-A1511 PolarHBondContact OG-N 2.93Å; A1511-L1514 PolarHBondContact O-N 3.35Å; A1511-C1515 WeakPolarHBondContact O-CB 3.43Å; A1511-C1515 PolarHBondContact O-N 3.36Å; A1511-C1515 PolarHBondContact O-SG 3.39Å; A1511-C1515 VanDerWaalsContact O-SG 3.32Å; A1511-F1562 HydrophobicContact CB-CB 4.48Å; A1511-F1562 HydrophobicContact CB-CD2 3.95Å; A1511-T1565 HydrophobicContact CB-CG2 4.44Å
1512A68.6Low67.8Low23 Ų2350.2 Ų50.219%0.1925%0.252CS..Hα-helixtrans-61.4-55.3-163.700000113.3V1472 S1509 L1514 C1515 R1516V1472-A1512 HydrophobicContact CG1-CB 3.73Å; V1472-A1512 HydrophobicContact CG2-CB 4.25Å; S1509-A1512 WeakPolarHBondContact O-CB 3.34Å; S1509-A1512 PolarHBondContact O-N 2.91Å; A1512-L1514 VanDerWaalsContact C-N 3.33Å; A1512-L1514 PolarHBondContact O-N 2.89Å; A1512-C1515 PolarHBondContact O-N 2.99Å; A1512-R1516 PolarHBondContact O-N 2.97Å
1513D77.4Confident66.8Low30 Ų3049.1 Ų49.116%0.1625%0.254CS..Hα-helixtrans-64.6-37.5-179.6-71.7-29.7000112.2V1472 H1473 G1474 F1476 R1516 L1517V1472-D1513 WeakPolarHBondContact CA-OD2 3.24Å; V1472-D1513 VanDerWaalsContact CG1-OD1 3.23Å; V1472-D1513 WeakPolarHBondContact CG1-OD1 3.46Å; H1473-D1513 PolarHBondContact N-OD1 3.22Å; H1473-D1513 PolarHBondContact N-OD2 3.48Å; G1474-D1513 PolarHBondContact N-OD1 2.89Å; F1476-D1513 HydrophobicContact CB-CB 3.64Å; F1476-D1513 WeakPolarHBondContact CB-OD1 3.47Å; F1476-D1513 HydrophobicContact CD1-CB 3.77Å; F1476-D1513 HydrophobicContact CG-CB 3.8Å; D1513-R1516 WeakPolarHBondContact O-CB 3.48Å; D1513-R1516 PolarHBondContact O-N 3.04Å; D1513-L1517 WeakPolarHBondContact O-CB 3.42Å; D1513-L1517 PolarHBondContact O-N 3.31Å
1514L77.3Confident66.1Low21 Ų2145 Ų4511%0.1124%0.24CC..Hα-helixtrans-66.9-40.5177.8-153.283.9000111.2A1511 A1512 L1517 Y1518 F1535 Y1538 F1562A1511-L1514 PolarHBondContact O-N 3.35Å; A1512-L1514 VanDerWaalsContact C-N 3.33Å; A1512-L1514 PolarHBondContact O-N 2.89Å; L1514-L1517 PolarHBondContact O-N 3.19Å; L1514-Y1518 HydrophobicContact CG-CD2 4.37Å; L1514-Y1518 WeakPolarHBondContact O-CB 3.33Å; L1514-Y1518 WeakPolarHBondContact O-CD2 3.46Å; L1514-Y1518 PolarHBondContact O-N 2.8Å; L1514-F1535 HydrophobicContact CD2-CB 4.48Å; L1514-F1535 HydrophobicContact CD2-CD2 3.77Å; L1514-Y1538 HydrophobicContact CD1-CG 4.44Å; L1514-Y1538 HydrophobicContact CD2-CD1 4.2Å; L1514-Y1538 HydrophobicContact CD2-CG 4.36Å; L1514-F1562 HydrophobicContact CB-CE2 4.03Å; L1514-F1562 HydrophobicContact CD2-CD2 4.44Å; L1514-F1562 HydrophobicContact CD2-CE2 3.73Å; L1514-F1562 HydrophobicContact CD2-CZ 3.91Å; L1514-F1562 HydrophobicContact CG-CE2 4.22Å
1515C71Confident66.5Low0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-62-44.9172.9-75.10000111.3A1511 A1512 L1517 Y1518 C1519 F1562 T1565 M1566A1511-C1515 WeakPolarHBondContact O-CB 3.43Å; A1511-C1515 PolarHBondContact O-N 3.36Å; A1511-C1515 PolarHBondContact O-SG 3.39Å; A1511-C1515 VanDerWaalsContact O-SG 3.32Å; A1512-C1515 PolarHBondContact O-N 2.99Å; C1515-L1517 PolarHBondContact O-N 3.06Å; C1515-Y1518 PolarHBondContact O-N 3.23Å; C1515-C1519 VanDerWaalsContact O-CB 3.28Å; C1515-C1519 WeakPolarHBondContact O-CB 3.3Å; C1515-C1519 PolarHBondContact O-N 3.29Å; C1515-C1519 PolarHBondContact O-SG 2.84Å; C1515-F1562 VanDerWaalsContact SG-CD2 3.55Å; C1515-F1562 WeakPolarHBondContact SG-CE2 3.35Å; C1515-T1565 HydrophobicContact CB-CG2 4.21Å; C1515-T1565 VanDerWaalsContact SG-CG2 3.54Å; C1515-M1566 HydrophobicContact CB-SD 3.9Å
1516R68.7Low66.1Low102 Ų10246.8 Ų46.839%0.38525%0.247SC..Hα-helixtrans-57.1-50.5176.5-16590.6170.8-169.6-3.8110.7D1475 F1476 A1512 D1513 Y1518 C1519 T1520D1475-R1516 IonicContact OD1-CZ 3.3Å; D1475-R1516 IonicContact OD1-NE 3.99Å; D1475-R1516 IonicContact OD1-NH2 2.88Å; D1475-R1516 PolarHBondContact OD1-NH2 3.12Å; F1476-R1516 WeakPolarHBondContact O-CG 3.21Å; A1512-R1516 PolarHBondContact O-N 2.97Å; D1513-R1516 WeakPolarHBondContact O-CB 3.48Å; D1513-R1516 PolarHBondContact O-N 3.04Å; R1516-Y1518 PolarHBondContact O-N 2.84Å; R1516-C1519 PolarHBondContact O-N 3.35Å; R1516-T1520 WeakPolarHBondContact O-CB 3.46Å; R1516-T1520 WeakPolarHBondContact O-CG2 3.5Å; R1516-T1520 PolarHBondContact O-N 3.03Å; R1516-T1520 PolarHBondContact O-OG1 2.77Å
1517L73.6Confident65.9Low39 Ų3945.4 Ų45.420%0.20424%0.238CC..Hα-helixtrans-58.3-47.9178.7-173.973.9000112F1476 I1481 D1513 L1514 C1515 T1520 N1521F1476-L1517 HydrophobicContact CD1-CB 4.12Å; F1476-L1517 HydrophobicContact CD1-CD1 4.47Å; F1476-L1517 HydrophobicContact CE1-CD1 4.48Å; F1476-L1517 HydrophobicContact CE1-CD2 4.26Å; F1476-L1517 PolarHBondContact O-N 3.14Å; I1481-L1517 HydrophobicContact CD1-CD1 3.64Å; D1513-L1517 WeakPolarHBondContact O-CB 3.42Å; D1513-L1517 PolarHBondContact O-N 3.31Å; L1514-L1517 PolarHBondContact O-N 3.19Å; C1515-L1517 PolarHBondContact O-N 3.06Å; L1517-T1520 PolarHBondContact O-N 2.97Å; L1517-N1521 HydrophobicContact CD1-CB 4.43Å; L1517-N1521 PolarHBondContact O-N 3.49Å
1518Y69.1Low65.9Low7 Ų745 Ų453%0.02723%0.231CC..Hα-helixtrans-62.6-45.8177.8-98.8-96.8000112.2L1514 C1515 R1516 T1520 V1522 R1527 T1530 M1531 V1534L1514-Y1518 HydrophobicContact CG-CD2 4.37Å; L1514-Y1518 WeakPolarHBondContact O-CB 3.33Å; L1514-Y1518 WeakPolarHBondContact O-CD2 3.46Å; L1514-Y1518 PolarHBondContact O-N 2.8Å; C1515-Y1518 PolarHBondContact O-N 3.23Å; R1516-Y1518 PolarHBondContact O-N 2.84Å; Y1518-T1520 VanDerWaalsContact C-N 3.29Å; Y1518-T1520 PolarHBondContact O-N 3.19Å; Y1518-V1522 HydrophobicContact CD1-CB 4.49Å; Y1518-V1522 HydrophobicContact CD1-CG2 4.48Å; Y1518-V1522 HydrophobicContact CE1-CG1 4.4Å; Y1518-V1522 HydrophobicContact CG-CG2 4.44Å; Y1518-R1527 HydrophobicContact CD1-CB 4.05Å; Y1518-R1527 HydrophobicContact CD1-CG 3.74Å; Y1518-R1527 HydrophobicContact CE1-CB 4.31Å; Y1518-R1527 HydrophobicContact CE1-CG 4.31Å; Y1518-R1527 WeakPolarHBondContact O-CD 3.1Å; Y1518-R1527 PolarHBondContact O-NE 2.89Å; Y1518-R1527 PolarHBondContact O-NH1 3.31Å; Y1518-T1530 PolarHBondContact OH-OG1 3.14Å; Y1518-M1531 HydrophobicContact CD1-CB 4.25Å; Y1518-M1531 HydrophobicContact CD1-CG 4.27Å; Y1518-M1531 HydrophobicContact CE1-CB 3.64Å; Y1518-M1531 HydrophobicContact CE1-CG 4.03Å; Y1518-M1531 WeakPolarHBondContact OH-CA 3.33Å; Y1518-V1534 HydrophobicContact CE2-CB 4.17Å; Y1518-V1534 HydrophobicContact CE2-CG1 3.87Å; Y1518-V1534 WeakPolarHBondContact OH-CB 3.17Å; Y1518-V1534 WeakPolarHBondContact OH-CG2 3.27Å
1519C59.6Low66.2Low36 Ų3648.8 Ų48.824%0.24326%0.257CS..Hα-helixtrans-64.9-34.5-178.1-76.50000112.6C1515 R1516 R1527 M1566C1515-C1519 VanDerWaalsContact O-CB 3.28Å; C1515-C1519 WeakPolarHBondContact O-CB 3.3Å; C1515-C1519 PolarHBondContact O-N 3.29Å; C1515-C1519 PolarHBondContact O-SG 2.84Å; R1516-C1519 PolarHBondContact O-N 3.35Å; C1519-R1527 PolarHBondContact O-NH1 3.4Å; C1519-M1566 WeakPolarHBondContact SG-CE 3.11Å; C1519-M1566 VanDerWaalsContact SG-SD 3.65Å
1520T54.6Low66.7Low49 Ų4949.2 Ų49.230%0.30126%0.259SS..Hα-helixtrans-101.5-33.5-169.7550000114.9R1516 L1517 Y1518R1516-T1520 WeakPolarHBondContact O-CB 3.46Å; R1516-T1520 WeakPolarHBondContact O-CG2 3.5Å; R1516-T1520 PolarHBondContact O-N 3.03Å; R1516-T1520 PolarHBondContact O-OG1 2.77Å; L1517-T1520 PolarHBondContact O-N 2.97Å; Y1518-T1520 VanDerWaalsContact C-N 3.29Å; Y1518-T1520 PolarHBondContact O-N 3.19Å
1521N59.7Low67.1Low58 Ų5849.9 Ų49.931%0.3126%0.262SS..Hα-helixtrans-124.1-6.2-167-52.4-74.5000115.7W1477 A1478 L1517W1477-N1521 VanDerWaalsContact CA-ND2 3.27Å; W1477-N1521 WeakPolarHBondContact CA-ND2 3.24Å; W1477-N1521 WeakPolarHBondContact CB-ND2 3.46Å; A1478-N1521 HydrophobicContact CB-CB 4.17Å; A1478-N1521 WeakPolarHBondContact CB-OD1 3.43Å; A1478-N1521 VanDerWaalsContact N-CG 3.32Å; A1478-N1521 PolarHBondContact N-ND2 3.26Å; A1478-N1521 VanDerWaalsContact N-ND2 3.18Å; A1478-N1521 PolarHBondContact N-OD1 3.05Å; A1478-N1521 VanDerWaalsContact N-OD1 3.11Å; L1517-N1521 HydrophobicContact CD1-CB 4.43Å; L1517-N1521 PolarHBondContact O-N 3.49Å
1522V63.8Low67.7Low25 Ų2555.6 Ų55.615%0.15229%0.287CS..SBendtrans-102.7130.7-177.7-175.20000109.2Y1518 M1526 R1527Y1518-V1522 HydrophobicContact CD1-CB 4.49Å; Y1518-V1522 HydrophobicContact CD1-CG2 4.48Å; Y1518-V1522 HydrophobicContact CE1-CG1 4.4Å; Y1518-V1522 HydrophobicContact CG-CG2 4.44Å; V1522-M1526 HydrophobicContact CG1-CB 3.89Å; V1522-M1526 HydrophobicContact CG1-CG 4.2Å; V1522-M1526 HydrophobicContact CG1-SD 4.04Å; V1522-R1527 HydrophobicContact CB-CG 3.55Å; V1522-R1527 HydrophobicContact CG1-CB 4.26Å; V1522-R1527 HydrophobicContact CG1-CG 3.49Å; V1522-R1527 VanDerWaalsContact CG1-CG 3.49Å; V1522-R1527 PolarHBondContact O-NE 3.48Å; V1522-R1527 PolarHBondContact O-NH2 2.91Å
1523D60Low68.4Low89 Ų8961.3 Ų61.348%0.47631%0.31SS..  trans-54.9138175178.6-83.8000110.6D1525 M1526 R1527D1523-D1525 PolarHBondContact O-N 2.92Å; D1523-D1525 VanDerWaalsContact O-N 3.16Å; D1523-D1525 WeakPolarHBondContact OD1-CB 3.37Å; D1523-D1525 PolarHBondContact OD1-N 3.37Å; D1523-M1526 HydrophobicContact CB-CB 4.05Å; D1523-M1526 CarbonylContact O-C 3.17Å; D1523-M1526 WeakPolarHBondContact O-CA 3.27Å; D1523-M1526 WeakPolarHBondContact O-CB 3.22Å; D1523-M1526 PolarHBondContact O-N 2.77Å; D1523-M1526 PolarHBondContact OD1-N 3.34Å; D1523-R1527 WeakPolarHBondContact O-CG 3.48Å; D1523-R1527 PolarHBondContact O-N 3.32Å
1524P51.1Low68.7Low60 Ų6062.6 Ų62.639%0.3932%0.319SS..Hα-helixtrans-51.5-38.4-178-27.535.3000114.6R1528P1524-R1528 WeakPolarHBondContact O-CB 3.45Å; P1524-R1528 WeakPolarHBondContact O-CG 3.44Å; P1524-R1528 PolarHBondContact O-N 3.04Å; P1524-R1528 PolarHBondContact O-NE 3.3Å
1525D63.1Low69Low92 Ų9261.6 Ų61.649%0.49231%0.313SS..Hα-helixtrans-75.3-34.5179.3-65.9-20.4000111.5D1523 R1528 S1529D1523-D1525 PolarHBondContact O-N 2.92Å; D1523-D1525 VanDerWaalsContact O-N 3.16Å; D1523-D1525 WeakPolarHBondContact OD1-CB 3.37Å; D1523-D1525 PolarHBondContact OD1-N 3.37Å; D1525-R1528 WeakPolarHBondContact O-CB 3.41Å; D1525-R1528 PolarHBondContact O-N 3.46Å; D1525-R1528 IonicContact OD1-CZ 2.77Å; D1525-R1528 VanDerWaalsContact OD1-CZ 3.26Å; D1525-R1528 IonicContact OD1-NE 3.18Å; D1525-R1528 PolarHBondContact OD1-NE 2.73Å; D1525-R1528 IonicContact OD1-NH2 3.09Å; D1525-R1528 PolarHBondContact OD1-NH2 2.86Å; D1525-S1529 PolarHBondContact O-N 3.23Å; D1525-S1529 VanDerWaalsContact O-N 3.13Å; D1525-S1529 PolarHBondContact O-OG 2.72Å
1526M66.5Low69.7Low105 Ų10564.2 Ų64.252%0.51733%0.327SS..Hα-helixtrans-67.3-44.4171-158.1-162.5-62.100111V1522 D1523 R1528 S1529 T1530V1522-M1526 HydrophobicContact CG1-CB 3.89Å; V1522-M1526 HydrophobicContact CG1-CG 4.2Å; V1522-M1526 HydrophobicContact CG1-SD 4.04Å; D1523-M1526 HydrophobicContact CB-CB 4.05Å; D1523-M1526 CarbonylContact O-C 3.17Å; D1523-M1526 WeakPolarHBondContact O-CA 3.27Å; D1523-M1526 WeakPolarHBondContact O-CB 3.22Å; D1523-M1526 PolarHBondContact O-N 2.77Å; D1523-M1526 PolarHBondContact OD1-N 3.34Å; M1526-R1528 VanDerWaalsContact C-N 3.26Å; M1526-R1528 PolarHBondContact O-N 2.88Å; M1526-S1529 PolarHBondContact O-N 2.91Å; M1526-S1529 VanDerWaalsContact O-N 3.12Å; M1526-S1529 PolarHBondContact O-OG 2.94Å; M1526-S1529 VanDerWaalsContact O-OG 3.1Å; M1526-T1530 HydrophobicContact CG-CG2 4.04Å; M1526-T1530 PolarHBondContact O-N 3.14Å; M1526-T1530 PolarHBondContact O-OG1 3.03Å
1527R64.2Low70.5Confident58 Ų5863.6 Ų63.622%0.21934%0.337CS..Hα-helixtrans-53.8-46.3172.4-68.4-177.8-119.7-159.1-7.4110.7Y1518 C1519 V1522 D1523 S1529 M1531Y1518-R1527 HydrophobicContact CD1-CB 4.05Å; Y1518-R1527 HydrophobicContact CD1-CG 3.74Å; Y1518-R1527 HydrophobicContact CE1-CB 4.31Å; Y1518-R1527 HydrophobicContact CE1-CG 4.31Å; Y1518-R1527 WeakPolarHBondContact O-CD 3.1Å; Y1518-R1527 PolarHBondContact O-NE 2.89Å; Y1518-R1527 PolarHBondContact O-NH1 3.31Å; C1519-R1527 PolarHBondContact O-NH1 3.4Å; V1522-R1527 HydrophobicContact CB-CG 3.55Å; V1522-R1527 HydrophobicContact CG1-CB 4.26Å; V1522-R1527 HydrophobicContact CG1-CG 3.49Å; V1522-R1527 VanDerWaalsContact CG1-CG 3.49Å; V1522-R1527 PolarHBondContact O-NE 3.48Å; V1522-R1527 PolarHBondContact O-NH2 2.91Å; D1523-R1527 WeakPolarHBondContact O-CG 3.48Å; D1523-R1527 PolarHBondContact O-N 3.32Å; R1527-S1529 VanDerWaalsContact C-N 3.3Å; R1527-S1529 PolarHBondContact O-N 2.63Å; R1527-M1531 WeakPolarHBondContact O-CB 3.49Å; R1527-M1531 PolarHBondContact O-N 3.24Å
1528R60Low71Confident111 Ų11164.9 Ų64.942%0.41934%0.34SS..Hα-helixtrans-59.3-38.6-179.7-81.2-177.5-104-124.612.2112.6P1524 D1525 M1526P1524-R1528 WeakPolarHBondContact O-CB 3.45Å; P1524-R1528 WeakPolarHBondContact O-CG 3.44Å; P1524-R1528 PolarHBondContact O-N 3.04Å; P1524-R1528 PolarHBondContact O-NE 3.3Å; D1525-R1528 WeakPolarHBondContact O-CB 3.41Å; D1525-R1528 PolarHBondContact O-N 3.46Å; D1525-R1528 IonicContact OD1-CZ 2.77Å; D1525-R1528 VanDerWaalsContact OD1-CZ 3.26Å; D1525-R1528 IonicContact OD1-NE 3.18Å; D1525-R1528 PolarHBondContact OD1-NE 2.73Å; D1525-R1528 IonicContact OD1-NH2 3.09Å; D1525-R1528 PolarHBondContact OD1-NH2 2.86Å; M1526-R1528 VanDerWaalsContact C-N 3.26Å; M1526-R1528 PolarHBondContact O-N 2.88Å
1529S72.6Confident71.7Confident83 Ų8364.7 Ų64.758%0.5834%0.339SS*.Hα-helixtrans-89.5-33.4-175.149.60000114D1525 M1526 R1527D1525-S1529 PolarHBondContact O-N 3.23Å; D1525-S1529 VanDerWaalsContact O-N 3.13Å; D1525-S1529 PolarHBondContact O-OG 2.72Å; M1526-S1529 PolarHBondContact O-N 2.91Å; M1526-S1529 VanDerWaalsContact O-N 3.12Å; M1526-S1529 PolarHBondContact O-OG 2.94Å; M1526-S1529 VanDerWaalsContact O-OG 3.1Å; R1527-S1529 VanDerWaalsContact C-N 3.3Å; R1527-S1529 PolarHBondContact O-N 2.63Å
1530T77.8Confident72.9Confident34 Ų3468.4 Ų68.421%0.20935%0.351CS..Hα-helixtrans-106.6-16.6-168.264.90000115Y1518 M1526 K1532 E1533 V1534Y1518-T1530 PolarHBondContact OH-OG1 3.14Å; M1526-T1530 HydrophobicContact CG-CG2 4.04Å; M1526-T1530 PolarHBondContact O-N 3.14Å; M1526-T1530 PolarHBondContact O-OG1 3.03Å; T1530-K1532 PolarHBondContact O-N 3.41Å; T1530-E1533 PolarHBondContact O-N 3.31Å; T1530-V1534 WeakPolarHBondContact O-CG2 3.31Å; T1530-V1534 PolarHBondContact O-N 2.54Å
1531M80.2Confident74.5Confident25 Ų2573.5 Ų73.512%0.12337%0.365CS..Hα-helixtrans-52.3-47.4-170.2-179.4174.570.700114.6Y1518 R1527 F1535 Y1559 F1562 E1563 M1566Y1518-M1531 HydrophobicContact CD1-CB 4.25Å; Y1518-M1531 HydrophobicContact CD1-CG 4.27Å; Y1518-M1531 HydrophobicContact CE1-CB 3.64Å; Y1518-M1531 HydrophobicContact CE1-CG 4.03Å; Y1518-M1531 WeakPolarHBondContact OH-CA 3.33Å; R1527-M1531 WeakPolarHBondContact O-CB 3.49Å; R1527-M1531 PolarHBondContact O-N 3.24Å; M1531-F1535 WeakPolarHBondContact O-CB 3.39Å; M1531-F1535 PolarHBondContact O-N 2.91Å; M1531-Y1559 WeakPolarHBondContact CE-OH 3.03Å; M1531-F1562 HydrophobicContact CG-CE1 3.54Å; M1531-F1562 HydrophobicContact CG-CZ 4.19Å; M1531-F1562 HydrophobicContact SD-CE1 3.97Å; M1531-E1563 HydrophobicContact CE-CG 4.36Å; M1531-M1566 HydrophobicContact SD-CG 4.3Å
1532K82.9Confident75.5Confident121 Ų12172.2 Ų72.253%0.52636%0.358SS..Hα-helixtrans-67.4-38.1179.4-168.5173.9-179.1-178.30112.4T1530 L1536 F1555 Y1559T1530-K1532 PolarHBondContact O-N 3.41Å; K1532-L1536 VanDerWaalsContact O-CB 3.22Å; K1532-L1536 WeakPolarHBondContact O-CB 3.36Å; K1532-L1536 PolarHBondContact O-N 3Å; K1532-F1555 HydrophobicContact CG-CZ 4.12Å; K1532-Y1559 HydrophobicContact CB-CE1 4.44Å; K1532-Y1559 HydrophobicContact CB-CE2 3.9Å; K1532-Y1559 HydrophobicContact CD-CE1 4.09Å; K1532-Y1559 HydrophobicContact CG-CD1 4.47Å; K1532-Y1559 HydrophobicContact CG-CD2 4.39Å; K1532-Y1559 HydrophobicContact CG-CE1 3.99Å; K1532-Y1559 HydrophobicContact CG-CE2 3.89Å
1533E82.6Confident76.5Confident142 Ų14274 Ų7466%0.66436%0.364SS*.Hα-helixtrans-70.3-43.2179.2-72.7-174.3156.800111.9T1530 L1536 C1537T1530-E1533 PolarHBondContact O-N 3.31Å; E1533-L1536 WeakPolarHBondContact O-CB 3.4Å; E1533-L1536 PolarHBondContact O-N 3.08Å; E1533-C1537 PolarHBondContact O-N 3.47Å
1534V83.7Confident77.6Confident57 Ų5774.5 Ų74.535%0.34537%0.371SS..Hα-helixtrans-67-42.4176.8175.50000110.8Y1518 T1530 L1536 C1537 Y1538Y1518-V1534 HydrophobicContact CE2-CB 4.17Å; Y1518-V1534 HydrophobicContact CE2-CG1 3.87Å; Y1518-V1534 WeakPolarHBondContact OH-CB 3.17Å; Y1518-V1534 WeakPolarHBondContact OH-CG2 3.27Å; T1530-V1534 WeakPolarHBondContact O-CG2 3.31Å; T1530-V1534 PolarHBondContact O-N 2.54Å; V1534-L1536 VanDerWaalsContact C-N 3.32Å; V1534-L1536 PolarHBondContact O-N 3.46Å; V1534-C1537 WeakPolarHBondContact O-CB 3.12Å; V1534-C1537 PolarHBondContact O-N 2.72Å; V1534-Y1538 WeakPolarHBondContact O-CB 3.45Å; V1534-Y1538 PolarHBondContact O-N 2.71Å
1535F83.9Confident79Confident0 Ų077.2 Ų77.20%038%0.381CS..Hα-helixtrans-64.8-37.3174.4-170.8-93.9000111.9F1510 L1514 M1531 C1537 Y1538 F1539 F1555 A1558 Y1559 F1562F1510-F1535 AromaticContact CE2-CE2 3.82Å; F1510-F1535 HydrophobicContact CE2-CE2 3.82Å; F1510-F1535 AromaticContact CE2-CZ 3.53Å; F1510-F1535 HydrophobicContact CE2-CZ 3.53Å; F1510-F1535 HydrophobicContact CZ-CE2 4.24Å; F1510-F1535 AromaticContact CZ-CZ 3.74Å; F1510-F1535 HydrophobicContact CZ-CZ 3.74Å; L1514-F1535 HydrophobicContact CD2-CB 4.48Å; L1514-F1535 HydrophobicContact CD2-CD2 3.77Å; M1531-F1535 WeakPolarHBondContact O-CB 3.39Å; M1531-F1535 PolarHBondContact O-N 2.91Å; F1535-C1537 VanDerWaalsContact C-N 3.32Å; F1535-C1537 PolarHBondContact O-N 2.82Å; F1535-Y1538 HydrophobicContact CD2-CD1 4.4Å; F1535-Y1538 HydrophobicContact CE2-CD1 4.29Å; F1535-Y1538 PolarHBondContact O-N 2.72Å; F1535-F1539 HydrophobicContact CD1-CB 4.44Å; F1535-F1539 HydrophobicContact CE1-CB 4.28Å; F1535-F1539 HydrophobicContact CE1-CD2 4.39Å; F1535-F1539 VanDerWaalsContact O-CB 3.22Å; F1535-F1539 WeakPolarHBondContact O-CB 3.25Å; F1535-F1539 PolarHBondContact O-N 3.13Å; F1535-F1555 HydrophobicContact CD1-CD2 4.44Å; F1535-F1555 AromaticContact CD1-CE2 3.8Å; F1535-F1555 HydrophobicContact CD1-CE2 3.8Å; F1535-F1555 HydrophobicContact CE1-CE2 4.36Å; F1535-A1558 HydrophobicContact CE1-CB 4.12Å; F1535-A1558 HydrophobicContact CZ-CB 4.25Å; F1535-Y1559 HydrophobicContact CB-CD2 3.88Å; F1535-Y1559 HydrophobicContact CB-CE2 4.12Å; F1535-Y1559 AromaticContact CD1-CD2 3.46Å; F1535-Y1559 HydrophobicContact CD1-CD2 3.46Å; F1535-Y1559 VanDerWaalsContact CD1-CD2 3.46Å; F1535-Y1559 HydrophobicContact CD1-CE2 4.49Å; F1535-Y1559 HydrophobicContact CD1-CG 4.14Å; F1535-Y1559 VanDerWaalsContact CE1-CA 3.45Å; F1535-Y1559 HydrophobicContact CE1-CD2 4.2Å; F1535-Y1559 AromaticContact CG-CD2 3.8Å; F1535-Y1559 HydrophobicContact CG-CD2 3.8Å; F1535-Y1559 HydrophobicContact CG-CE2 4.46Å; F1535-F1562 HydrophobicContact CB-CD1 4.08Å; F1535-F1562 HydrophobicContact CB-CE1 4.08Å; F1535-F1562 HydrophobicContact CD2-CB 3.71Å; F1535-F1562 AromaticContact CD2-CD1 3.51Å; F1535-F1562 HydrophobicContact CD2-CD1 3.51Å; F1535-F1562 AromaticContact CD2-CD2 3.52Å; F1535-F1562 HydrophobicContact CD2-CD2 3.52Å; F1535-F1562 AromaticContact CD2-CE1 3.95Å; F1535-F1562 HydrophobicContact CD2-CE1 3.95Å; F1535-F1562 AromaticContact CD2-CE2 3.99Å; F1535-F1562 HydrophobicContact CD2-CE2 3.99Å; F1535-F1562 AromaticContact CD2-CG 3.27Å; F1535-F1562 HydrophobicContact CD2-CG 3.27Å; F1535-F1562 HydrophobicContact CD2-CZ 4.19Å; F1535-F1562 HydrophobicContact CE1-CB 4.21Å; F1535-F1562 HydrophobicContact CE2-CB 3.28Å; F1535-F1562 HydrophobicContact CE2-CD1 4.04Å; F1535-F1562 AromaticContact CE2-CD2 3.58Å; F1535-F1562 HydrophobicContact CE2-CD2 3.58Å; F1535-F1562 HydrophobicContact CE2-CE2 4.42Å; F1535-F1562 AromaticContact CE2-CG 3.35Å; F1535-F1562 HydrophobicContact CE2-CG 3.35Å; F1535-F1562 HydrophobicContact CG-CB 4.32Å; F1535-F1562 AromaticContact CG-CD1 3.78Å; F1535-F1562 HydrophobicContact CG-CD1 3.78Å; F1535-F1562 HydrophobicContact CG-CE1 4.22Å; F1535-F1562 AromaticContact CG-CG 3.98Å; F1535-F1562 HydrophobicContact CG-CG 3.98Å; F1535-F1562 HydrophobicContact CZ-CB 3.54Å; F1535-F1562 HydrophobicContact CZ-CG 4.09Å
1536L86Confident79.8Confident56 Ų5674.2 Ų74.229%0.29337%0.369SS..Hα-helixtrans-61.8-40.5172.6-179.264.9000111.8K1532 E1533 V1534 K1540 F1555K1532-L1536 VanDerWaalsContact O-CB 3.22Å; K1532-L1536 WeakPolarHBondContact O-CB 3.36Å; K1532-L1536 PolarHBondContact O-N 3Å; E1533-L1536 WeakPolarHBondContact O-CB 3.4Å; E1533-L1536 PolarHBondContact O-N 3.08Å; V1534-L1536 VanDerWaalsContact C-N 3.32Å; V1534-L1536 PolarHBondContact O-N 3.46Å; L1536-K1540 HydrophobicContact CD1-CD 4.35Å; L1536-K1540 HydrophobicContact CD1-CG 4.29Å; L1536-K1540 HydrophobicContact CG-CD 4.24Å; L1536-K1540 WeakPolarHBondContact O-CB 3.42Å; L1536-K1540 VanDerWaalsContact O-CG 3.28Å; L1536-K1540 WeakPolarHBondContact O-CG 3.25Å; L1536-K1540 PolarHBondContact O-N 2.96Å; L1536-F1555 HydrophobicContact CB-CE2 3.67Å; L1536-F1555 HydrophobicContact CB-CZ 3.91Å; L1536-F1555 HydrophobicContact CD1-CD1 4.33Å; L1536-F1555 HydrophobicContact CD1-CD2 3.56Å; L1536-F1555 HydrophobicContact CD1-CE1 4.28Å; L1536-F1555 HydrophobicContact CD1-CE2 3.49Å; L1536-F1555 VanDerWaalsContact CD1-CE2 3.49Å; L1536-F1555 HydrophobicContact CD1-CG 3.99Å; L1536-F1555 HydrophobicContact CD1-CZ 3.88Å; L1536-F1555 HydrophobicContact CG-CE2 4.19Å; L1536-F1555 HydrophobicContact CG-CZ 4.43Å
1537C85.3Confident80.3Confident88 Ų8871.9 Ų71.960%0.59536%0.362SS*.Hα-helixtrans-63-47.4175.1-164.20000111.1E1533 V1534 F1535 K1540 R1541E1533-C1537 PolarHBondContact O-N 3.47Å; V1534-C1537 WeakPolarHBondContact O-CB 3.12Å; V1534-C1537 PolarHBondContact O-N 2.72Å; F1535-C1537 VanDerWaalsContact C-N 3.32Å; F1535-C1537 PolarHBondContact O-N 2.82Å; C1537-K1540 PolarHBondContact O-N 2.84Å; C1537-R1541 WeakPolarHBondContact O-CB 3.19Å; C1537-R1541 PolarHBondContact O-N 3.25Å
1538Y83.8Confident80.7Confident67 Ų6778 Ų7826%0.26339%0.393SS..Hα-helixtrans-60.2-46.7175.9-177.8-115.4000112F1510 L1514 V1534 F1535 R1541 M1542F1510-Y1538 HydrophobicContact CB-CE1 4.4Å; F1510-Y1538 HydrophobicContact CD2-CD1 4.24Å; F1510-Y1538 AromaticContact CD2-CE1 3.5Å; F1510-Y1538 HydrophobicContact CD2-CE1 3.5Å; F1510-Y1538 HydrophobicContact CE2-CE1 4.18Å; F1510-Y1538 HydrophobicContact CG-CE1 4.38Å; F1510-Y1538 VanDerWaalsContact O-CE1 3.23Å; F1510-Y1538 WeakPolarHBondContact O-CE1 3.48Å; F1510-Y1538 PolarHBondContact O-OH 2.79Å; L1514-Y1538 HydrophobicContact CD1-CG 4.44Å; L1514-Y1538 HydrophobicContact CD2-CD1 4.2Å; L1514-Y1538 HydrophobicContact CD2-CG 4.36Å; V1534-Y1538 WeakPolarHBondContact O-CB 3.45Å; V1534-Y1538 PolarHBondContact O-N 2.71Å; F1535-Y1538 HydrophobicContact CD2-CD1 4.4Å; F1535-Y1538 HydrophobicContact CE2-CD1 4.29Å; F1535-Y1538 PolarHBondContact O-N 2.72Å; Y1538-R1541 PolarHBondContact O-N 3.41Å; Y1538-M1542 HydrophobicContact CE1-CG 4.35Å; Y1538-M1542 HydrophobicContact CE2-CG 4.29Å; Y1538-M1542 WeakPolarHBondContact O-CB 3Å; Y1538-M1542 WeakPolarHBondContact O-CG 3.48Å; Y1538-M1542 PolarHBondContact O-N 3Å
1539F83.6Confident81.3Confident2 Ų278.4 Ų78.41%0.00940%0.398CS..Hα-helixtrans-63.1-46.3178.2-172.2-99.3000112I1467 F1535 R1541 M1542 Q1543 V1550 F1555 A1558I1467-F1539 HydrophobicContact CD1-CE2 4.17Å; F1535-F1539 HydrophobicContact CD1-CB 4.44Å; F1535-F1539 HydrophobicContact CE1-CB 4.28Å; F1535-F1539 HydrophobicContact CE1-CD2 4.39Å; F1535-F1539 VanDerWaalsContact O-CB 3.22Å; F1535-F1539 WeakPolarHBondContact O-CB 3.25Å; F1535-F1539 PolarHBondContact O-N 3.13Å; F1539-R1541 VanDerWaalsContact C-N 3.31Å; F1539-R1541 PolarHBondContact O-N 2.77Å; F1539-M1542 WeakPolarHBondContact O-CB 3.36Å; F1539-M1542 PolarHBondContact O-N 3.21Å; F1539-Q1543 HydrophobicContact CD1-CG 4.15Å; F1539-Q1543 VanDerWaalsContact CE1-CD 3.41Å; F1539-Q1543 HydrophobicContact CE1-CG 3.87Å; F1539-Q1543 HydrophobicContact CZ-CG 4.31Å; F1539-Q1543 WeakPolarHBondContact O-CG 3.11Å; F1539-Q1543 PolarHBondContact O-N 2.91Å; F1539-V1550 HydrophobicContact CD2-CG1 4.15Å; F1539-V1550 HydrophobicContact CE1-CG1 4.46Å; F1539-V1550 HydrophobicContact CE2-CG1 3.52Å; F1539-V1550 HydrophobicContact CZ-CG1 3.71Å; F1539-F1555 HydrophobicContact CB-CD2 4.1Å; F1539-F1555 HydrophobicContact CD1-CB 3.95Å; F1539-F1555 AromaticContact CD1-CD2 3.8Å; F1539-F1555 HydrophobicContact CD1-CD2 3.8Å; F1539-F1555 HydrophobicContact CD1-CG 4.37Å; F1539-F1555 HydrophobicContact CE1-CB 3.78Å; F1539-F1555 HydrophobicContact CE1-CD2 4.47Å; F1539-F1555 AromaticContact CG-CD2 3.98Å; F1539-F1555 HydrophobicContact CG-CD2 3.98Å; F1539-F1555 HydrophobicContact CZ-CB 4.46Å; F1539-A1558 HydrophobicContact CD2-CB 3.65Å; F1539-A1558 HydrophobicContact CE2-CB 3.32Å; F1539-A1558 HydrophobicContact CZ-CB 4.17Å
1540K86.2Confident81.4Confident115 Ų11574.5 Ų74.550%0.537%0.37SS..Hα-helixtrans-61.6-38.5174.7-77178.5176.7178.30112.1L1536 C1537 Q1543 T1544L1536-K1540 HydrophobicContact CD1-CD 4.35Å; L1536-K1540 HydrophobicContact CD1-CG 4.29Å; L1536-K1540 HydrophobicContact CG-CD 4.24Å; L1536-K1540 WeakPolarHBondContact O-CB 3.42Å; L1536-K1540 VanDerWaalsContact O-CG 3.28Å; L1536-K1540 WeakPolarHBondContact O-CG 3.25Å; L1536-K1540 PolarHBondContact O-N 2.96Å; C1537-K1540 PolarHBondContact O-N 2.84Å; K1540-Q1543 PolarHBondContact O-N 3.34Å; K1540-T1544 PolarHBondContact O-N 3.29Å; K1540-T1544 PolarHBondContact O-OG1 3.45Å
1541R86.5Confident81.3Confident156 Ų15677.4 Ų77.459%0.58938%0.384SS*.Hα-helixtrans-65.3-41.8176-170.261.1172.4174.60.4111.1C1537 Y1538 F1539 T1544 L1545C1537-R1541 WeakPolarHBondContact O-CB 3.19Å; C1537-R1541 PolarHBondContact O-N 3.25Å; Y1538-R1541 PolarHBondContact O-N 3.41Å; F1539-R1541 VanDerWaalsContact C-N 3.31Å; F1539-R1541 PolarHBondContact O-N 2.77Å; R1541-T1544 WeakPolarHBondContact O-CB 3.22Å; R1541-T1544 PolarHBondContact O-N 3.2Å; R1541-T1544 VanDerWaalsContact O-N 3.15Å; R1541-L1545 HydrophobicContact CG-CD1 3.96Å; R1541-L1545 WeakPolarHBondContact O-CG 3.33Å; R1541-L1545 PolarHBondContact O-N 3.39Å
1542M81.8Confident81Confident31 Ų3180.5 Ų80.515%0.15341%0.409CS..Hα-helixtrans-63.8-41.2173.4-75.3-66.6-72.200112.4V1470 F1510 Y1538 F1539 T1544 L1545 A1546 V1550V1470-M1542 HydrophobicContact CG1-CE 3.93Å; F1510-M1542 HydrophobicContact CB-CE 4.47Å; Y1538-M1542 HydrophobicContact CE1-CG 4.35Å; Y1538-M1542 HydrophobicContact CE2-CG 4.29Å; Y1538-M1542 WeakPolarHBondContact O-CB 3Å; Y1538-M1542 WeakPolarHBondContact O-CG 3.48Å; Y1538-M1542 PolarHBondContact O-N 3Å; F1539-M1542 WeakPolarHBondContact O-CB 3.36Å; F1539-M1542 PolarHBondContact O-N 3.21Å; M1542-T1544 PolarHBondContact O-N 3.49Å; M1542-L1545 PolarHBondContact O-N 2.78Å; M1542-A1546 CarbonylContact O-C 3.59Å; M1542-A1546 WeakPolarHBondContact O-CA 3.47Å; M1542-A1546 PolarHBondContact O-N 3.42Å; M1542-V1550 HydrophobicContact CB-CG2 4.08Å; M1542-V1550 HydrophobicContact CE-CG2 4.41Å
1543Q83.8Confident80.5Confident62 Ų6275 Ų7529%0.2939%0.386SS..Hα-helixtrans-61.1-32.7172-71.8-176.7-65.700112.5F1539 K1540 P1547 V1550 N1551F1539-Q1543 HydrophobicContact CD1-CG 4.15Å; F1539-Q1543 VanDerWaalsContact CE1-CD 3.41Å; F1539-Q1543 HydrophobicContact CE1-CG 3.87Å; F1539-Q1543 HydrophobicContact CZ-CG 4.31Å; F1539-Q1543 WeakPolarHBondContact O-CG 3.11Å; F1539-Q1543 PolarHBondContact O-N 2.91Å; K1540-Q1543 PolarHBondContact O-N 3.34Å; Q1543-P1547 WeakPolarHBondContact O-CA 3.42Å; Q1543-P1547 VanDerWaalsContact O-CB 3.24Å; Q1543-P1547 WeakPolarHBondContact O-CB 3.4Å; Q1543-P1547 WeakPolarHBondContact O-CD 3.4Å; Q1543-V1550 HydrophobicContact CG-CB 4.23Å; Q1543-V1550 HydrophobicContact CG-CG1 3.62Å; Q1543-N1551 PolarHBondContact NE2-OD1 3.07Å; Q1543-N1551 VanDerWaalsContact NE2-OD1 3.09Å
1544T83.5Confident80.3Confident99 Ų9971.3 Ų71.361%0.60738%0.375SS*.Hα-helixtrans-75.6-42.1177.9-52.10000111.9K1540 R1541 M1542K1540-T1544 PolarHBondContact O-N 3.29Å; K1540-T1544 PolarHBondContact O-OG1 3.45Å; R1541-T1544 WeakPolarHBondContact O-CB 3.22Å; R1541-T1544 PolarHBondContact O-N 3.2Å; R1541-T1544 VanDerWaalsContact O-N 3.15Å; M1542-T1544 PolarHBondContact O-N 3.49Å
1545L82Confident80.1Confident118 Ų11870 Ų7062%0.61837%0.365SS*.Hα-helixtrans-83.6-28.9-175.8-66.3173.3000113.3R1541 M1542R1541-L1545 HydrophobicContact CG-CD1 3.96Å; R1541-L1545 WeakPolarHBondContact O-CG 3.33Å; R1541-L1545 PolarHBondContact O-N 3.39Å; M1542-L1545 PolarHBondContact O-N 2.78Å
1546A79.7Confident79.8Confident28 Ų2876.1 Ų76.123%0.23139%0.393CS..SBendtrans-14157.6-17700000112.5M1542 E1548 K1549 V1550M1542-A1546 CarbonylContact O-C 3.59Å; M1542-A1546 WeakPolarHBondContact O-CA 3.47Å; M1542-A1546 PolarHBondContact O-N 3.42Å; A1546-E1548 PolarHBondContact O-N 2.79Å; A1546-K1549 HydrophobicContact CB-CB 4.41Å; A1546-K1549 PolarHBondContact O-N 2.8Å; A1546-K1549 VanDerWaalsContact O-N 3.14Å; A1546-V1550 HydrophobicContact CB-CG2 4.37Å; A1546-V1550 WeakPolarHBondContact O-CG2 3.33Å; A1546-V1550 PolarHBondContact O-N 2.89Å; A1546-V1550 VanDerWaalsContact O-N 3.17Å
1547P76.9Confident78.9Confident56 Ų5679.5 Ų79.536%0.36440%0.402SS..Hα-helixtrans-57.4-44-172.219.6-31.1000113.6Q1543 K1549 V1550 N1551Q1543-P1547 WeakPolarHBondContact O-CA 3.42Å; Q1543-P1547 VanDerWaalsContact O-CB 3.24Å; Q1543-P1547 WeakPolarHBondContact O-CB 3.4Å; Q1543-P1547 WeakPolarHBondContact O-CD 3.4Å; P1547-K1549 PolarHBondContact O-N 3.09Å; P1547-V1550 PolarHBondContact O-N 3.14Å; P1547-N1551 WeakPolarHBondContact O-CB 3.28Å; P1547-N1551 PolarHBondContact O-N 3.12Å; P1547-N1551 PolarHBondContact O-ND2 3.13Å
1548E72.8Confident78.4Confident187 Ų18775.3 Ų75.387%0.87437%0.374SS*.Hα-helixtrans-60.1-32.2-178.6-65.8-173165.900112.8A1546A1546-E1548 PolarHBondContact O-N 2.79Å
1549K71Confident78.2Confident119 Ų11973.2 Ų73.252%0.51737%0.366SS..Hα-helixtrans-86.4-33.9-176.5-71-173.8169.3-173.40113.1P1468 A1546 P1547 S1552P1468-K1549 HydrophobicContact CB-CD 4.03Å; P1468-K1549 HydrophobicContact CG-CB 3.83Å; P1468-K1549 HydrophobicContact CG-CD 3.81Å; P1468-K1549 HydrophobicContact CG-CG 3.84Å; A1546-K1549 HydrophobicContact CB-CB 4.41Å; A1546-K1549 PolarHBondContact O-N 2.8Å; A1546-K1549 VanDerWaalsContact O-N 3.14Å; P1547-K1549 PolarHBondContact O-N 3.09Å; K1549-S1552 PolarHBondContact O-OG 3.42Å
1550V74.6Confident77.4Confident1 Ų173.5 Ų73.51%0.00637%0.368CS..Hα-helixtrans-97.6-32-170.3-176.40000112.1I1467 F1539 M1542 Q1543 A1546 P1547 S1552 T1553I1467-V1550 HydrophobicContact CD1-CG1 4.49Å; F1539-V1550 HydrophobicContact CD2-CG1 4.15Å; F1539-V1550 HydrophobicContact CE1-CG1 4.46Å; F1539-V1550 HydrophobicContact CE2-CG1 3.52Å; F1539-V1550 HydrophobicContact CZ-CG1 3.71Å; M1542-V1550 HydrophobicContact CB-CG2 4.08Å; M1542-V1550 HydrophobicContact CE-CG2 4.41Å; Q1543-V1550 HydrophobicContact CG-CB 4.23Å; Q1543-V1550 HydrophobicContact CG-CG1 3.62Å; A1546-V1550 HydrophobicContact CB-CG2 4.37Å; A1546-V1550 WeakPolarHBondContact O-CG2 3.33Å; A1546-V1550 PolarHBondContact O-N 2.89Å; A1546-V1550 VanDerWaalsContact O-N 3.17Å; P1547-V1550 PolarHBondContact O-N 3.14Å; V1550-S1552 PolarHBondContact O-N 3.39Å; V1550-S1552 VanDerWaalsContact O-N 3.13Å; V1550-T1553 PolarHBondContact O-N 2.74Å
1551N76.9Confident76.5Confident95 Ų9569.1 Ų69.151%0.50835%0.35SS..THydrogen-bonded Turntrans-69.3-10.3-175.8-70.8-20.2000114.5Q1543 P1547 T1553Q1543-N1551 PolarHBondContact NE2-OD1 3.07Å; Q1543-N1551 VanDerWaalsContact NE2-OD1 3.09Å; P1547-N1551 WeakPolarHBondContact O-CB 3.28Å; P1547-N1551 PolarHBondContact O-N 3.12Å; P1547-N1551 PolarHBondContact O-ND2 3.13Å; N1551-T1553 PolarHBondContact O-N 3.29Å
1552S72.7Confident75.8Confident90 Ų9061.7 Ų61.763%0.62932%0.322SS*.THydrogen-bonded Turntrans-70.7-12.9170.259.10000113.1K1549 V1550K1549-S1552 PolarHBondContact O-OG 3.42Å; V1550-S1552 PolarHBondContact O-N 3.39Å; V1550-S1552 VanDerWaalsContact O-N 3.13Å
1553T72.4Confident75.1Confident7 Ų763.5 Ų63.54%0.04333%0.33CS..SBendtrans-121.7133.9-177.1-71.80000110.3V1466 I1467 V1550 N1551 R1557 A1558V1466-T1553 HydrophobicContact CG1-CG2 3.54Å; V1466-T1553 VanDerWaalsContact CG1-OG1 3.25Å; V1466-T1553 WeakPolarHBondContact CG1-OG1 3.36Å; V1466-T1553 PolarHBondContact O-OG1 3.04Å; I1467-T1553 HydrophobicContact CD1-CG2 4.47Å; V1550-T1553 PolarHBondContact O-N 2.74Å; N1551-T1553 PolarHBondContact O-N 3.29Å; T1553-R1557 HydrophobicContact CG2-CB 4.03Å; T1553-R1557 HydrophobicContact CG2-CG 4.24Å; T1553-A1558 HydrophobicContact CG2-CB 3.98Å
1554S78.2Confident73.8Confident63 Ų6361.7 Ų61.744%0.44132%0.321SS..  trans-73.8151173.262.30000111.6E1556 R1557 A1558S1554-E1556 PolarHBondContact O-N 3.42Å; S1554-R1557 PolarHBondContact O-N 3.08Å; S1554-R1557 WeakPolarHBondContact OG-CB 3.43Å; S1554-R1557 PolarHBondContact OG-N 2.93Å; S1554-A1558 PolarHBondContact O-N 3.32Å
1555F80.8Confident72.5Confident30 Ų3057.2 Ų57.213%0.13229%0.293CS..Hα-helixtrans-52.6-42.7174.6167.3-102.7000111.6K1532 F1535 L1536 F1539 R1557 A1558 Y1559K1532-F1555 HydrophobicContact CG-CZ 4.12Å; F1535-F1555 HydrophobicContact CD1-CD2 4.44Å; F1535-F1555 AromaticContact CD1-CE2 3.8Å; F1535-F1555 HydrophobicContact CD1-CE2 3.8Å; F1535-F1555 HydrophobicContact CE1-CE2 4.36Å; L1536-F1555 HydrophobicContact CB-CE2 3.67Å; L1536-F1555 HydrophobicContact CB-CZ 3.91Å; L1536-F1555 HydrophobicContact CD1-CD1 4.33Å; L1536-F1555 HydrophobicContact CD1-CD2 3.56Å; L1536-F1555 HydrophobicContact CD1-CE1 4.28Å; L1536-F1555 HydrophobicContact CD1-CE2 3.49Å; L1536-F1555 VanDerWaalsContact CD1-CE2 3.49Å; L1536-F1555 HydrophobicContact CD1-CG 3.99Å; L1536-F1555 HydrophobicContact CD1-CZ 3.88Å; L1536-F1555 HydrophobicContact CG-CE2 4.19Å; L1536-F1555 HydrophobicContact CG-CZ 4.43Å; F1539-F1555 HydrophobicContact CB-CD2 4.1Å; F1539-F1555 HydrophobicContact CD1-CB 3.95Å; F1539-F1555 AromaticContact CD1-CD2 3.8Å; F1539-F1555 HydrophobicContact CD1-CD2 3.8Å; F1539-F1555 HydrophobicContact CD1-CG 4.37Å; F1539-F1555 HydrophobicContact CE1-CB 3.78Å; F1539-F1555 HydrophobicContact CE1-CD2 4.47Å; F1539-F1555 AromaticContact CG-CD2 3.98Å; F1539-F1555 HydrophobicContact CG-CD2 3.98Å; F1539-F1555 HydrophobicContact CZ-CB 4.46Å; F1555-R1557 VanDerWaalsContact C-N 3.29Å; F1555-R1557 PolarHBondContact O-N 3.12Å; F1555-A1558 PolarHBondContact O-N 2.85Å; F1555-Y1559 HydrophobicContact CZ-CD2 4.28Å; F1555-Y1559 HydrophobicContact CZ-CG 4.07Å; F1555-Y1559 WeakPolarHBondContact O-CB 3.46Å; F1555-Y1559 PolarHBondContact O-N 2.9Å
1556E76.7Confident71.5Confident128 Ų12853 Ų5360%0.59827%0.271SS*.Hα-helixtrans-61.1-39.6179.7-70.966.3-154.800111.3S1554 C1560S1554-E1556 PolarHBondContact O-N 3.42Å; E1556-C1560 WeakPolarHBondContact O-CB 3.3Å; E1556-C1560 PolarHBondContact O-N 3.24Å
1557R68.4Low70.3Confident128 Ų12854.6 Ų54.648%0.48328%0.28SS..Hα-helixtrans-71.3-43.8177.3-172173.7-174.4-176.1-0.3111.1V1466 T1553 S1554 F1555 I1561V1466-R1557 HydrophobicContact CG1-CG 4.47Å; T1553-R1557 HydrophobicContact CG2-CB 4.03Å; T1553-R1557 HydrophobicContact CG2-CG 4.24Å; S1554-R1557 PolarHBondContact O-N 3.08Å; S1554-R1557 WeakPolarHBondContact OG-CB 3.43Å; S1554-R1557 PolarHBondContact OG-N 2.93Å; F1555-R1557 VanDerWaalsContact C-N 3.29Å; F1555-R1557 PolarHBondContact O-N 3.12Å; R1557-I1561 HydrophobicContact CG-CD1 4.47Å; R1557-I1561 WeakPolarHBondContact O-CD1 3.22Å; R1557-I1561 VanDerWaalsContact O-CG1 3.28Å; R1557-I1561 WeakPolarHBondContact O-CG1 3.31Å; R1557-I1561 PolarHBondContact O-N 3.42Å; R1557-I1561 VanDerWaalsContact O-N 3.15Å
1558A74.4Confident68.9Low0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-65.9-43.2177.100000112.7I1467 F1510 F1535 F1539 T1553 S1554 F1555 I1561 F1562I1467-A1558 HydrophobicContact CD1-CB 4.16Å; F1510-A1558 HydrophobicContact CZ-CB 4.2Å; F1535-A1558 HydrophobicContact CE1-CB 4.12Å; F1535-A1558 HydrophobicContact CZ-CB 4.25Å; F1539-A1558 HydrophobicContact CD2-CB 3.65Å; F1539-A1558 HydrophobicContact CE2-CB 3.32Å; F1539-A1558 HydrophobicContact CZ-CB 4.17Å; T1553-A1558 HydrophobicContact CG2-CB 3.98Å; S1554-A1558 PolarHBondContact O-N 3.32Å; F1555-A1558 PolarHBondContact O-N 2.85Å; A1558-I1561 WeakPolarHBondContact O-CB 3.34Å; A1558-I1561 PolarHBondContact O-N 2.88Å; A1558-F1562 PolarHBondContact O-N 2.73Å
1559Y79Confident67.5Low22 Ų2246.3 Ų46.39%0.08624%0.236CC..Hα-helixtrans-68.9-38.3178.1-178.2-105.7000111.5M1531 K1532 F1535 F1555 I1561 F1562 E1563M1531-Y1559 WeakPolarHBondContact CE-OH 3.03Å; K1532-Y1559 HydrophobicContact CB-CE1 4.44Å; K1532-Y1559 HydrophobicContact CB-CE2 3.9Å; K1532-Y1559 HydrophobicContact CD-CE1 4.09Å; K1532-Y1559 HydrophobicContact CG-CD1 4.47Å; K1532-Y1559 HydrophobicContact CG-CD2 4.39Å; K1532-Y1559 HydrophobicContact CG-CE1 3.99Å; K1532-Y1559 HydrophobicContact CG-CE2 3.89Å; F1535-Y1559 HydrophobicContact CB-CD2 3.88Å; F1535-Y1559 HydrophobicContact CB-CE2 4.12Å; F1535-Y1559 AromaticContact CD1-CD2 3.46Å; F1535-Y1559 HydrophobicContact CD1-CD2 3.46Å; F1535-Y1559 VanDerWaalsContact CD1-CD2 3.46Å; F1535-Y1559 HydrophobicContact CD1-CE2 4.49Å; F1535-Y1559 HydrophobicContact CD1-CG 4.14Å; F1535-Y1559 VanDerWaalsContact CE1-CA 3.45Å; F1535-Y1559 HydrophobicContact CE1-CD2 4.2Å; F1535-Y1559 AromaticContact CG-CD2 3.8Å; F1535-Y1559 HydrophobicContact CG-CD2 3.8Å; F1535-Y1559 HydrophobicContact CG-CE2 4.46Å; F1555-Y1559 HydrophobicContact CZ-CD2 4.28Å; F1555-Y1559 HydrophobicContact CZ-CG 4.07Å; F1555-Y1559 WeakPolarHBondContact O-CB 3.46Å; F1555-Y1559 PolarHBondContact O-N 2.9Å; Y1559-I1561 PolarHBondContact O-N 3.18Å; Y1559-F1562 HydrophobicContact CD2-CD1 4.04Å; Y1559-F1562 HydrophobicContact CE2-CD1 4.01Å; Y1559-F1562 HydrophobicContact CE2-CE1 4.4Å; Y1559-F1562 PolarHBondContact O-N 3.17Å; Y1559-E1563 HydrophobicContact CD1-CG 4.25Å; Y1559-E1563 HydrophobicContact CE1-CG 3.71Å; Y1559-E1563 VanDerWaalsContact CE1-OE1 3.26Å; Y1559-E1563 WeakPolarHBondContact CE1-OE1 3.36Å; Y1559-E1563 HydrophobicContact CE2-CG 4.26Å; Y1559-E1563 PolarHBondContact O-N 3.5Å; Y1559-E1563 PolarHBondContact OH-OE1 3.24Å; Y1559-E1563 VanDerWaalsContact OH-OE1 3.06Å
1560C67.3Low66.3Low9 Ų941.8 Ų41.86%0.06122%0.221CC..Hα-helixtrans-59.8-36.7171.6-175.10000111.5E1556 K1564 K1773E1556-C1560 WeakPolarHBondContact O-CB 3.3Å; E1556-C1560 PolarHBondContact O-N 3.24Å; C1560-K1564 WeakPolarHBondContact O-CG 3.34Å; C1560-K1564 PolarHBondContact O-N 3.26Å; C1560-K1773 PolarHBondContact SG-NZ 2.87Å
1561I66.6Low64.7Low22 Ų2243.8 Ų43.811%0.11323%0.232CC..Hα-helixtrans-70.9-41.4174.4-67.4164.5000111.3F1463 V1466 R1557 A1558 Y1559 K1564 T1565F1463-I1561 HydrophobicContact CD1-CG2 3.94Å; F1463-I1561 HydrophobicContact CE1-CG2 3.72Å; V1466-I1561 HydrophobicContact CB-CD1 3.89Å; V1466-I1561 HydrophobicContact CG1-CD1 3.57Å; V1466-I1561 HydrophobicContact CG2-CD1 3.8Å; R1557-I1561 HydrophobicContact CG-CD1 4.47Å; R1557-I1561 WeakPolarHBondContact O-CD1 3.22Å; R1557-I1561 VanDerWaalsContact O-CG1 3.28Å; R1557-I1561 WeakPolarHBondContact O-CG1 3.31Å; R1557-I1561 PolarHBondContact O-N 3.42Å; R1557-I1561 VanDerWaalsContact O-N 3.15Å; A1558-I1561 WeakPolarHBondContact O-CB 3.34Å; A1558-I1561 PolarHBondContact O-N 2.88Å; Y1559-I1561 PolarHBondContact O-N 3.18Å; I1561-K1564 CarbonylContact O-C 3.54Å; I1561-K1564 WeakPolarHBondContact O-CA 3.42Å; I1561-K1564 VanDerWaalsContact O-CB 3.26Å; I1561-K1564 WeakPolarHBondContact O-CB 3.28Å; I1561-K1564 PolarHBondContact O-N 3.26Å; I1561-K1564 VanDerWaalsContact O-N 3.17Å; I1561-T1565 PolarHBondContact O-N 3.01Å; I1561-T1565 PolarHBondContact O-OG1 3.2Å; I1561-T1565 VanDerWaalsContact O-OG1 3.11Å
1562F71.7Confident63Low0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-63.2-42.6174.4170.7-103.2000112.6A1511 L1514 C1515 M1531 F1535 A1558 Y1559 K1564 T1565 M1566A1511-F1562 HydrophobicContact CB-CB 4.48Å; A1511-F1562 HydrophobicContact CB-CD2 3.95Å; L1514-F1562 HydrophobicContact CB-CE2 4.03Å; L1514-F1562 HydrophobicContact CD2-CD2 4.44Å; L1514-F1562 HydrophobicContact CD2-CE2 3.73Å; L1514-F1562 HydrophobicContact CD2-CZ 3.91Å; L1514-F1562 HydrophobicContact CG-CE2 4.22Å; C1515-F1562 VanDerWaalsContact SG-CD2 3.55Å; C1515-F1562 WeakPolarHBondContact SG-CE2 3.35Å; M1531-F1562 HydrophobicContact CG-CE1 3.54Å; M1531-F1562 HydrophobicContact CG-CZ 4.19Å; M1531-F1562 HydrophobicContact SD-CE1 3.97Å; F1535-F1562 HydrophobicContact CB-CD1 4.08Å; F1535-F1562 HydrophobicContact CB-CE1 4.08Å; F1535-F1562 HydrophobicContact CD2-CB 3.71Å; F1535-F1562 AromaticContact CD2-CD1 3.51Å; F1535-F1562 HydrophobicContact CD2-CD1 3.51Å; F1535-F1562 AromaticContact CD2-CD2 3.52Å; F1535-F1562 HydrophobicContact CD2-CD2 3.52Å; F1535-F1562 AromaticContact CD2-CE1 3.95Å; F1535-F1562 HydrophobicContact CD2-CE1 3.95Å; F1535-F1562 AromaticContact CD2-CE2 3.99Å; F1535-F1562 HydrophobicContact CD2-CE2 3.99Å; F1535-F1562 AromaticContact CD2-CG 3.27Å; F1535-F1562 HydrophobicContact CD2-CG 3.27Å; F1535-F1562 HydrophobicContact CD2-CZ 4.19Å; F1535-F1562 HydrophobicContact CE1-CB 4.21Å; F1535-F1562 HydrophobicContact CE2-CB 3.28Å; F1535-F1562 HydrophobicContact CE2-CD1 4.04Å; F1535-F1562 AromaticContact CE2-CD2 3.58Å; F1535-F1562 HydrophobicContact CE2-CD2 3.58Å; F1535-F1562 HydrophobicContact CE2-CE2 4.42Å; F1535-F1562 AromaticContact CE2-CG 3.35Å; F1535-F1562 HydrophobicContact CE2-CG 3.35Å; F1535-F1562 HydrophobicContact CG-CB 4.32Å; F1535-F1562 AromaticContact CG-CD1 3.78Å; F1535-F1562 HydrophobicContact CG-CD1 3.78Å; F1535-F1562 HydrophobicContact CG-CE1 4.22Å; F1535-F1562 AromaticContact CG-CG 3.98Å; F1535-F1562 HydrophobicContact CG-CG 3.98Å; F1535-F1562 HydrophobicContact CZ-CB 3.54Å; F1535-F1562 HydrophobicContact CZ-CG 4.09Å; A1558-F1562 PolarHBondContact O-N 2.73Å; Y1559-F1562 HydrophobicContact CD2-CD1 4.04Å; Y1559-F1562 HydrophobicContact CE2-CD1 4.01Å; Y1559-F1562 HydrophobicContact CE2-CE1 4.4Å; Y1559-F1562 PolarHBondContact O-N 3.17Å; F1562-K1564 VanDerWaalsContact C-N 3.29Å; F1562-K1564 PolarHBondContact O-N 3.38Å; F1562-T1565 PolarHBondContact O-N 2.99Å; F1562-T1565 VanDerWaalsContact O-N 3.15Å; F1562-M1566 HydrophobicContact CE1-CG 4.35Å; F1562-M1566 HydrophobicContact CE2-CG 4.42Å; F1562-M1566 HydrophobicContact CZ-CG 4.16Å; F1562-M1566 PolarHBondContact O-N 3.36Å
1563E68.4Low61.4Low69 Ų6940.3 Ų40.332%0.32220%0.204SC..Hα-helixtrans-61.7-36.9171.3-78.8-172.3142.600111.7M1531 Y1559 M1566 S1567M1531-E1563 HydrophobicContact CE-CG 4.36Å; Y1559-E1563 HydrophobicContact CD1-CG 4.25Å; Y1559-E1563 HydrophobicContact CE1-CG 3.71Å; Y1559-E1563 VanDerWaalsContact CE1-OE1 3.26Å; Y1559-E1563 WeakPolarHBondContact CE1-OE1 3.36Å; Y1559-E1563 HydrophobicContact CE2-CG 4.26Å; Y1559-E1563 PolarHBondContact O-N 3.5Å; Y1559-E1563 PolarHBondContact OH-OE1 3.24Å; Y1559-E1563 VanDerWaalsContact OH-OE1 3.06Å; E1563-M1566 PolarHBondContact O-N 2.9Å; E1563-S1567 WeakPolarHBondContact O-CB 3.43Å; E1563-S1567 PolarHBondContact O-N 3.4Å; E1563-S1567 PolarHBondContact O-OG 2.98Å
1564K56.2Low59.8Low24 Ų2440.1 Ų40.110%0.10420%0.203CC..Hα-helixtrans-61.8-47.6170.2-80.5-178.4172.9-163.90111.2C1560 I1561 F1562 M1566 S1567 Y1568 V1625 L1777C1560-K1564 WeakPolarHBondContact O-CG 3.34Å; C1560-K1564 PolarHBondContact O-N 3.26Å; I1561-K1564 CarbonylContact O-C 3.54Å; I1561-K1564 WeakPolarHBondContact O-CA 3.42Å; I1561-K1564 VanDerWaalsContact O-CB 3.26Å; I1561-K1564 WeakPolarHBondContact O-CB 3.28Å; I1561-K1564 PolarHBondContact O-N 3.26Å; I1561-K1564 VanDerWaalsContact O-N 3.17Å; F1562-K1564 VanDerWaalsContact C-N 3.29Å; F1562-K1564 PolarHBondContact O-N 3.38Å; K1564-M1566 VanDerWaalsContact C-N 3.28Å; K1564-M1566 PolarHBondContact O-N 3.49Å; K1564-S1567 CarbonylContact O-C 3.6Å; K1564-S1567 PolarHBondContact O-N 2.9Å; K1564-S1567 VanDerWaalsContact O-N 3.08Å; K1564-Y1568 HydrophobicContact CB-CD2 4.47Å; K1564-Y1568 WeakPolarHBondContact O-CB 3.3Å; K1564-Y1568 WeakPolarHBondContact O-CD2 3.4Å; K1564-Y1568 PolarHBondContact O-N 3.46Å; K1564-V1625 HydrophobicContact CD-CG1 4.19Å; K1564-V1625 HydrophobicContact CG-CG1 4.06Å; K1564-V1625 HydrophobicContact CG-CG2 4.17Å; K1564-L1777 VanDerWaalsContact NZ-CD2 3.34Å
1565T56.5Low58.2Low5 Ų539.4 Ų39.43%0.03119%0.193CC..Hα-helixtrans-63.3-35.8179.4-55.90000111A1511 C1515 I1561 F1562 N1569A1511-T1565 HydrophobicContact CB-CG2 4.44Å; C1515-T1565 HydrophobicContact CB-CG2 4.21Å; C1515-T1565 VanDerWaalsContact SG-CG2 3.54Å; I1561-T1565 PolarHBondContact O-N 3.01Å; I1561-T1565 PolarHBondContact O-OG1 3.2Å; I1561-T1565 VanDerWaalsContact O-OG1 3.11Å; F1562-T1565 PolarHBondContact O-N 2.99Å; F1562-T1565 VanDerWaalsContact O-N 3.15Å; T1565-N1569 WeakPolarHBondContact O-CB 3.3Å; T1565-N1569 PolarHBondContact O-N 3.36Å; T1565-N1569 PolarHBondContact O-ND2 3.36Å; T1565-N1569 VanDerWaalsContact O-ND2 3.15Å
1566M60.4Low56.2Low29 Ų2939.1 Ų39.114%0.14319%0.192CC..Hα-helixtrans-64.6-42.6170.1-76.9-64.4-62.800112.3C1515 C1519 M1531 F1562 E1563 K1564 A1570C1515-M1566 HydrophobicContact CB-SD 3.9Å; C1519-M1566 WeakPolarHBondContact SG-CE 3.11Å; C1519-M1566 VanDerWaalsContact SG-SD 3.65Å; M1531-M1566 HydrophobicContact SD-CG 4.3Å; F1562-M1566 HydrophobicContact CE1-CG 4.35Å; F1562-M1566 HydrophobicContact CE2-CG 4.42Å; F1562-M1566 HydrophobicContact CZ-CG 4.16Å; F1562-M1566 PolarHBondContact O-N 3.36Å; E1563-M1566 PolarHBondContact O-N 2.9Å; K1564-M1566 VanDerWaalsContact C-N 3.28Å; K1564-M1566 PolarHBondContact O-N 3.49Å; M1566-A1570 WeakPolarHBondContact O-CB 3.23Å; M1566-A1570 PolarHBondContact O-N 3.03Å
1567S53.6Low54.3Low62 Ų6233.5 Ų33.543%0.43417%0.167SC..Hα-helixtrans-73.5-37.2-179.5-52.50000112.4E1563 K1564 A1570 L1571E1563-S1567 WeakPolarHBondContact O-CB 3.43Å; E1563-S1567 PolarHBondContact O-N 3.4Å; E1563-S1567 PolarHBondContact O-OG 2.98Å; K1564-S1567 CarbonylContact O-C 3.6Å; K1564-S1567 PolarHBondContact O-N 2.9Å; K1564-S1567 VanDerWaalsContact O-N 3.08Å; S1567-A1570 WeakPolarHBondContact O-CB 3.48Å; S1567-A1570 PolarHBondContact O-N 3.36Å; S1567-L1571 WeakPolarHBondContact O-CB 3.48Å; S1567-L1571 WeakPolarHBondContact O-CG 3.28Å; S1567-L1571 PolarHBondContact O-N 3.14Å
1568Y48.2Very low52.6Low42 Ų4231.6 Ų31.617%0.16517%0.167CC..Hα-helixtrans-67.5-44.4171.6-97.3-83.1000110K1564 A1570 L1571 I1572 V1625K1564-Y1568 HydrophobicContact CB-CD2 4.47Å; K1564-Y1568 WeakPolarHBondContact O-CB 3.3Å; K1564-Y1568 WeakPolarHBondContact O-CD2 3.4Å; K1564-Y1568 PolarHBondContact O-N 3.46Å; Y1568-A1570 VanDerWaalsContact C-N 3.28Å; Y1568-A1570 PolarHBondContact O-N 3.08Å; Y1568-L1571 CarbonylContact O-C 3.59Å; Y1568-L1571 WeakPolarHBondContact O-CA 3.24Å; Y1568-L1571 WeakPolarHBondContact O-CB 3.15Å; Y1568-L1571 PolarHBondContact O-N 3.31Å; Y1568-L1571 VanDerWaalsContact O-N 3.12Å; Y1568-I1572 WeakPolarHBondContact O-CB 3.31Å; Y1568-I1572 VanDerWaalsContact O-CG1 3.26Å; Y1568-I1572 WeakPolarHBondContact O-CG1 3.39Å; Y1568-I1572 PolarHBondContact O-N 2.93Å; Y1568-V1625 HydrophobicContact CD2-CG1 4.34Å; Y1568-V1625 HydrophobicContact CE2-CG1 3.56Å
1569N44.3Very low51Low27 Ų2735 Ų3514%0.14418%0.183CC..Hα-helixtrans-63.6-33.4171.7-85.3-47.8000111.8T1565 I1572 M1573T1565-N1569 WeakPolarHBondContact O-CB 3.3Å; T1565-N1569 PolarHBondContact O-N 3.36Å; T1565-N1569 PolarHBondContact O-ND2 3.36Å; T1565-N1569 VanDerWaalsContact O-ND2 3.15Å; N1569-I1572 CarbonylContact O-C 3.58Å; N1569-I1572 PolarHBondContact O-N 2.99Å; N1569-M1573 WeakPolarHBondContact O-CB 3.45Å; N1569-M1573 WeakPolarHBondContact O-CG 3.43Å; N1569-M1573 PolarHBondContact O-N 3.39Å
1570A44Very low49.1Very low25 Ų2536.7 Ų36.721%0.20719%0.193CC..Hα-helixtrans-66-42.1170.400000111.9M1566 S1567 Y1568 I1572 A1729M1566-A1570 WeakPolarHBondContact O-CB 3.23Å; M1566-A1570 PolarHBondContact O-N 3.03Å; S1567-A1570 WeakPolarHBondContact O-CB 3.48Å; S1567-A1570 PolarHBondContact O-N 3.36Å; Y1568-A1570 VanDerWaalsContact C-N 3.28Å; Y1568-A1570 PolarHBondContact O-N 3.08Å; A1570-I1572 VanDerWaalsContact C-N 3.25Å; A1570-I1572 PolarHBondContact O-N 2.96Å; A1570-A1729 CarbonylContact C-O 3.53Å
1571L42Very low47.5Very low42 Ų4240.2 Ų40.222%0.2222%0.218CC..Hα-helixtrans-63.4-28.7171.5-80159.7000112.9S1567 Y1568 V1574 I1731S1567-L1571 WeakPolarHBondContact O-CB 3.48Å; S1567-L1571 WeakPolarHBondContact O-CG 3.28Å; S1567-L1571 PolarHBondContact O-N 3.14Å; Y1568-L1571 CarbonylContact O-C 3.59Å; Y1568-L1571 WeakPolarHBondContact O-CA 3.24Å; Y1568-L1571 WeakPolarHBondContact O-CB 3.15Å; Y1568-L1571 PolarHBondContact O-N 3.31Å; Y1568-L1571 VanDerWaalsContact O-N 3.12Å; L1571-V1574 WeakPolarHBondContact O-CB 3.31Å; L1571-I1731 HydrophobicContact CD2-CB 3.93Å; L1571-I1731 HydrophobicContact CD2-CD1 4.17Å; L1571-I1731 HydrophobicContact CD2-CG1 4.12Å
1572I42.3Very low45.7Very low28 Ų2845.7 Ų45.714%0.14425%0.247CC..Hα-helixtrans-94.8-22.2-176.2-76.8172.2000112.8Y1568 N1569 A1570 V1574 M1575Y1568-I1572 WeakPolarHBondContact O-CB 3.31Å; Y1568-I1572 VanDerWaalsContact O-CG1 3.26Å; Y1568-I1572 WeakPolarHBondContact O-CG1 3.39Å; Y1568-I1572 PolarHBondContact O-N 2.93Å; N1569-I1572 CarbonylContact O-C 3.58Å; N1569-I1572 PolarHBondContact O-N 2.99Å; A1570-I1572 VanDerWaalsContact C-N 3.25Å; A1570-I1572 PolarHBondContact O-N 2.96Å; I1572-V1574 PolarHBondContact O-N 3.2Å; I1572-M1575 HydrophobicContact CB-CG 4.47Å; I1572-M1575 HydrophobicContact CB-SD 3.95Å; I1572-M1575 HydrophobicContact CG1-SD 3.78Å; I1572-M1575 HydrophobicContact CG2-CG 4.22Å; I1572-M1575 HydrophobicContact CG2-SD 3.55Å; I1572-M1575 VanDerWaalsContact CG2-SD 3.55Å; I1572-M1575 WeakPolarHBondContact O-CB 3.34Å; I1572-M1575 WeakPolarHBondContact O-CG 3.37Å; I1572-M1575 PolarHBondContact O-N 3.19Å
1573M37.9Very low43.6Very low84 Ų8452.9 Ų52.941%0.41428%0.283SS..Hα-helixtrans-59.1-20.4174.7-77.5-80.498.700111.6N1569 M1575 E1596N1569-M1573 WeakPolarHBondContact O-CB 3.45Å; N1569-M1573 WeakPolarHBondContact O-CG 3.43Å; N1569-M1573 PolarHBondContact O-N 3.39Å; M1573-M1575 PolarHBondContact O-N 3.08Å; M1573-E1596 WeakPolarHBondContact CB-OE2 3.42Å; M1573-E1596 VanDerWaalsContact O-CB 3.3Å; M1573-E1596 WeakPolarHBondContact O-CB 3.44Å
1574V39.9Very low41.8Very low3 Ų353.9 Ų53.92%0.01830%0.303CS..THydrogen-bonded Turntrans-54.3-11.8165.1177.70000114.9Y1452 L1571 I1572 I1595 E1596 L1598Y1452-V1574 HydrophobicContact CE1-CG1 4.2Å; L1571-V1574 WeakPolarHBondContact O-CB 3.31Å; I1572-V1574 PolarHBondContact O-N 3.2Å; V1574-I1595 HydrophobicContact CB-CG2 4.31Å; V1574-I1595 HydrophobicContact CG1-CG2 3.15Å; V1574-I1595 CarbonylContact O-C 3.56Å; V1574-I1595 VanDerWaalsContact O-CA 3.29Å; V1574-I1595 WeakPolarHBondContact O-CA 3.41Å; V1574-I1595 WeakPolarHBondContact O-CG2 3.13Å; V1574-E1596 PolarHBondContact O-N 2.95Å; V1574-L1598 HydrophobicContact CG2-CD1 3.52Å; V1574-L1598 HydrophobicContact CG2-CG 4.18Å
1575M43.8Very low40.4Very low49 Ų4960.5 Ų60.524%0.24134%0.339CS..BIsolated β-bridgetrans-91.2116.5-161.5-72.4-175.469.400117.3S1456 I1572 M1573S1456-M1575 WeakPolarHBondContact OG-CE 3.24Å; I1572-M1575 HydrophobicContact CB-CG 4.47Å; I1572-M1575 HydrophobicContact CB-SD 3.95Å; I1572-M1575 HydrophobicContact CG1-SD 3.78Å; I1572-M1575 HydrophobicContact CG2-CG 4.22Å; I1572-M1575 HydrophobicContact CG2-SD 3.55Å; I1572-M1575 VanDerWaalsContact CG2-SD 3.55Å; I1572-M1575 WeakPolarHBondContact O-CB 3.34Å; I1572-M1575 WeakPolarHBondContact O-CG 3.37Å; I1572-M1575 PolarHBondContact O-N 3.19Å; M1573-M1575 PolarHBondContact O-N 3.08Å
1576F38.1Very low39.1Very low23 Ų2364.5 Ų64.510%0.10138%0.381CS..  trans-126.529.1144-76.2-84.4000111.4L987 V990 F991 A994 V1408 I1410 N1578 A1594L987-F1576 HydrophobicContact CD2-CB 4.39Å; L987-F1576 HydrophobicContact CD2-CD1 3.46Å; L987-F1576 VanDerWaalsContact CD2-CD1 3.46Å; L987-F1576 HydrophobicContact CD2-CE1 3.83Å; L987-F1576 HydrophobicContact CD2-CG 3.99Å; V990-F1576 HydrophobicContact CG1-CD1 4.49Å; F991-F1576 HydrophobicContact CB-CD1 4.29Å; F991-F1576 HydrophobicContact CB-CE1 3.56Å; F991-F1576 HydrophobicContact CD2-CE1 4.16Å; F991-F1576 AromaticContact CG-CE1 3.9Å; F991-F1576 HydrophobicContact CG-CE1 3.9Å; A994-F1576 HydrophobicContact CB-CE1 4.05Å; A994-F1576 HydrophobicContact CB-CZ 4.11Å; V1408-F1576 HydrophobicContact CG1-CE2 3.76Å; V1408-F1576 HydrophobicContact CG1-CZ 4.34Å; I1410-F1576 HydrophobicContact CD1-CD2 3.94Å; I1410-F1576 HydrophobicContact CD1-CE2 3.76Å; I1410-F1576 HydrophobicContact CD1-CG 4.46Å; I1410-F1576 HydrophobicContact CD1-CZ 4.12Å; I1410-F1576 HydrophobicContact CG1-CD2 4.1Å; I1410-F1576 HydrophobicContact CG1-CE2 3.96Å; F1576-N1578 PolarHBondContact O-N 2.87Å; F1576-A1594 CarbonylContact C-O 3.54Å; F1576-A1594 VanDerWaalsContact C-O 3.29Å; F1576-A1594 HydrophobicContact CB-CB 3.78Å; F1576-A1594 PolarHBondContact N-O 3.47Å
1577A37.1Very low37.9Very low10 Ų1073.9 Ų73.98%0.08342%0.415CS..  trans-9377.6-168.400000112.6Y1452 L1593Y1452-A1577 HydrophobicContact CD2-CB 4.49Å; Y1452-A1577 HydrophobicContact CG-CB 4.19Å; A1577-L1593 HydrophobicContact CB-CD1 3.4Å; A1577-L1593 VanDerWaalsContact CB-CD1 3.4Å
1578N33.8Very low37Very low89 Ų8978.1 Ų78.148%0.47643%0.433SS..  trans-115.9145.7158.3-136.8-3.4000111.1V990 R1453 F1576 L1580V990-N1578 HydrophobicContact CG2-CB 4.29Å; R1453-N1578 PolarHBondContact NE-OD1 3.21Å; F1576-N1578 PolarHBondContact O-N 2.87Å; N1578-L1580 PolarHBondContact O-N 2.94Å
1579Q39.2Very low36.5Very low70 Ų7080.5 Ų80.533%0.32746%0.455SS..  trans-66.9110.9170.6-87179.7-34.800107.2R1453 S1581R1453-Q1579 VanDerWaalsContact NH2-CD 3.25Å; Q1579-S1581 PolarHBondContact O-N 3.2Å
1580L40.2Very low36.5Very low59 Ų5981.9 Ų81.931%0.30947%0.465SS..  trans-78.876165.7-62156.5000106.7A986 E989 V990 N1578 F1592A986-L1580 VanDerWaalsContact CA-CD1 3.41Å; A986-L1580 HydrophobicContact CB-CD1 3.11Å; A986-L1580 HydrophobicContact CB-CG 4.39Å; A986-L1580 VanDerWaalsContact O-CD2 3.28Å; A986-L1580 WeakPolarHBondContact O-CD2 3.46Å; E989-L1580 HydrophobicContact CB-CD2 3.82Å; E989-L1580 WeakPolarHBondContact OE2-CD2 3.5Å; V990-L1580 HydrophobicContact CG2-CD2 4.18Å; N1578-L1580 PolarHBondContact O-N 2.94Å; L1580-F1592 HydrophobicContact CD1-CZ 4.1Å
1581S33.2Very low37Very low82 Ų8287.5 Ų87.557%0.57349%0.485SS*.  trans-942.2-172.863.40000114.8Q1579Q1579-S1581 PolarHBondContact O-N 3.2Å
1582N29.4Very low37.7Very low138 Ų13887.9 Ų87.974%0.73849%0.485SS*.  trans-120.413.9-166.4-74.90.6000117
1583M27.5Very low38.4Very low151 Ų15187.4 Ų87.474%0.74448%0.482SS*.SBendtrans-109.3119.2166.6-71.7-161.4-172.300112.5
1584A29.5Very low39.2Very low90 Ų9083.7 Ų83.774%0.74447%0.465SS*.SBendtrans72.292.7167.900000117.9G1586A1584-G1586 PolarHBondContact O-N 3.38Å
1585D27.7Very low40Very low163 Ų16384.2 Ų84.287%0.87247%0.467SS*.  trans31.187.3141.5-70.9-26.3000118R1587D1585-R1587 VanDerWaalsContact C-N 3.29Å; D1585-R1587 PolarHBondContact O-N 2.82Å
1586G29.8Very low40.7Very low88 Ų8883 Ų8391%0.90746%0.461SS*.SBendtrans65.3-9.4130.900000121.3A1584A1584-G1586 PolarHBondContact O-N 3.38Å
1587R34.3Very low41.8Very low226 Ų22682.2 Ų82.285%0.85346%0.458SS*.SBendtrans-132.1-11.3-170.4-69.3-171-173.1173.85119.4D1585D1585-R1587 VanDerWaalsContact C-N 3.29Å; D1585-R1587 PolarHBondContact O-N 2.82Å
1588N36Very low42.9Very low152 Ų15281.8 Ų81.881%0.81345%0.454SS*.  trans-160.838.5175.5-96.1-24.4000116.1V1590N1588-V1590 PolarHBondContact O-N 3.19Å
1589S37.5Very low44.3Very low91 Ų9178.9 Ų78.964%0.63644%0.441SS*.  trans-66.6112.1179.557.50000112.2K1591S1589-K1591 PolarHBondContact O-N 2.78Å
1590V42.9Very low45.2Very low57 Ų5778 Ų7835%0.34544%0.441SS..  trans-72.7109173.1-179.40000107.6L977 N1588 F1592L977-V1590 HydrophobicContact CB-CG2 3.64Å; L977-V1590 HydrophobicContact CD1-CG2 3.6Å; L977-V1590 HydrophobicContact CG-CG2 4.29Å; N1588-V1590 PolarHBondContact O-N 3.19Å; V1590-F1592 PolarHBondContact O-N 2.85Å
1591K55.6Low46.2Very low142 Ų14279.4 Ų79.462%0.61744%0.442SS*.  trans-85.4112.4177.4-61.9-173.1179.4-172.80109.3P1415 S1589P1415-K1591 WeakPolarHBondContact CD-O 3.29Å; S1589-K1591 PolarHBondContact O-N 2.78Å
1592F56.6Low47.9Very low51 Ų5175.6 Ų75.622%0.22442%0.416CS..  trans-121.2164.8174.165.5-86.2000110.5L978 L983 A986 V1412 I1414 L1580 V1590L978-F1592 HydrophobicContact CD1-CB 4.26Å; L978-F1592 HydrophobicContact CD1-CD1 4.05Å; L978-F1592 HydrophobicContact CD1-CG 4.11Å; L978-F1592 HydrophobicContact CD2-CD1 3.89Å; L978-F1592 HydrophobicContact CD2-CE1 3.66Å; L978-F1592 HydrophobicContact CD2-CG 4.46Å; L978-F1592 HydrophobicContact CD2-CZ 4.02Å; L978-F1592 HydrophobicContact CG-CD1 4.36Å; L983-F1592 HydrophobicContact CD1-CE2 3.93Å; L983-F1592 HydrophobicContact CD1-CZ 4.26Å; A986-F1592 HydrophobicContact CB-CZ 3.87Å; V1412-F1592 HydrophobicContact CG1-CB 4.21Å; V1412-F1592 HydrophobicContact CG1-CD2 3.94Å; V1412-F1592 HydrophobicContact CG1-CG 4.37Å; I1414-F1592 HydrophobicContact CG1-CB 4.3Å; L1580-F1592 HydrophobicContact CD1-CZ 4.1Å; V1590-F1592 PolarHBondContact O-N 2.85Å
1593L56.2Low49.8Very low17 Ų1773.6 Ų73.69%0.08940%0.398CS..EExtended strand (participates in β ladder)trans-124124.3176.1-176.973.3000109V1412 K1413 E1448 Y1452 A1577 I1595V1412-L1593 WeakPolarHBondContact CA-O 3.47Å; K1413-L1593 HydrophobicContact CB-CB 4.26Å; K1413-L1593 HydrophobicContact CD-CD2 4.44Å; K1413-L1593 PolarHBondContact N-O 2.85Å; K1413-L1593 PolarHBondContact O-N 2.87Å; E1448-L1593 HydrophobicContact CG-CD2 4.09Å; Y1452-L1593 HydrophobicContact CD2-CD1 4.23Å; Y1452-L1593 HydrophobicContact CD2-CD2 3.93Å; Y1452-L1593 HydrophobicContact CE2-CD2 3.58Å; A1577-L1593 HydrophobicContact CB-CD1 3.4Å; A1577-L1593 VanDerWaalsContact CB-CD1 3.4Å; L1593-I1595 HydrophobicContact CD2-CD1 3.55Å; L1593-I1595 HydrophobicContact CD2-CG1 3.93Å; L1593-I1595 HydrophobicContact CG-CD1 3.99Å; L1593-I1595 HydrophobicContact CG-CG1 3.79Å
1594A55Low52.2Low6 Ų668.9 Ų68.95%0.0538%0.378CS..EExtended strand (participates in β ladder)trans-100.4131.3174.900000109.9I1410 L1411 F1576I1410-A1594 HydrophobicContact CG2-CB 3.86Å; L1411-A1594 CarbonylContact O-C 3.43Å; L1411-A1594 WeakPolarHBondContact O-CA 3.49Å; F1576-A1594 CarbonylContact C-O 3.54Å; F1576-A1594 VanDerWaalsContact C-O 3.29Å; F1576-A1594 HydrophobicContact CB-CB 3.78Å; F1576-A1594 PolarHBondContact N-O 3.47Å
1595I57.1Low54.3Low14 Ų1465.3 Ų65.37%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-138.9143.2-168.8-50.5-176.9000109.4I1410 L1411 V1574 L1593 D1597I1410-I1595 CarbonylContact C-O 3.53Å; I1410-I1595 WeakPolarHBondContact CA-O 3.2Å; L1411-I1595 HydrophobicContact CB-CB 4.26Å; L1411-I1595 PolarHBondContact N-O 3.49Å; L1411-I1595 PolarHBondContact O-N 2.68Å; V1574-I1595 HydrophobicContact CB-CG2 4.31Å; V1574-I1595 HydrophobicContact CG1-CG2 3.15Å; V1574-I1595 CarbonylContact O-C 3.56Å; V1574-I1595 VanDerWaalsContact O-CA 3.29Å; V1574-I1595 WeakPolarHBondContact O-CA 3.41Å; V1574-I1595 WeakPolarHBondContact O-CG2 3.13Å; L1593-I1595 HydrophobicContact CD2-CD1 3.55Å; L1593-I1595 HydrophobicContact CD2-CG1 3.93Å; L1593-I1595 HydrophobicContact CG-CD1 3.99Å; L1593-I1595 HydrophobicContact CG-CG1 3.79Å; I1595-D1597 PolarHBondContact O-N 3.13Å
1596E58.2Low56.2Low23 Ų2358.7 Ų58.711%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-59133.3170.6-168.8-166.9170.500110.9V1408 R1409 M1573 V1574 L1598 R1601V1408-E1596 HydrophobicContact CG1-CG 4.25Å; R1409-E1596 CarbonylContact O-C 3.2Å; M1573-E1596 WeakPolarHBondContact CB-OE2 3.42Å; M1573-E1596 VanDerWaalsContact O-CB 3.3Å; M1573-E1596 WeakPolarHBondContact O-CB 3.44Å; V1574-E1596 PolarHBondContact O-N 2.95Å; E1596-L1598 VanDerWaalsContact CD-CD2 3.47Å; E1596-L1598 HydrophobicContact CG-CD2 4.27Å; E1596-L1598 PolarHBondContact O-N 3.41Å; E1596-L1598 VanDerWaalsContact OE2-CD2 3.22Å; E1596-L1598 WeakPolarHBondContact OE2-CD2 3.44Å; E1596-R1601 IonicContact OE1-CZ 3.68Å; E1596-R1601 IonicContact OE1-NE 3.6Å; E1596-R1601 IonicContact OE1-NH2 2.62Å; E1596-R1601 PolarHBondContact OE1-NH2 3.48Å; E1596-R1601 IonicContact OE2-NH2 3.55Å; E1596-R1601 PolarHBondContact OE2-NH2 3.29Å
1597D61.2Low58.2Low7 Ų755.9 Ų55.94%0.03728%0.281CS..  trans-8094.1166.8176.622.7000109.4R1409 L1411 I1595 S1599 P1600R1409-D1597 HydrophobicContact CB-CB 3.46Å; R1409-D1597 VanDerWaalsContact CB-CB 3.46Å; R1409-D1597 VanDerWaalsContact CD-OD2 3.3Å; R1409-D1597 WeakPolarHBondContact CD-OD2 3.4Å; R1409-D1597 PolarHBondContact O-N 3.33Å; L1411-D1597 HydrophobicContact CD1-CB 4.36Å; L1411-D1597 HydrophobicContact CD2-CB 3.87Å; L1411-D1597 HydrophobicContact CG-CB 3.74Å; I1595-D1597 PolarHBondContact O-N 3.13Å; D1597-S1599 PolarHBondContact O-N 3.49Å; D1597-S1599 WeakPolarHBondContact OD1-CA 3.38Å; D1597-S1599 WeakPolarHBondContact OD1-CB 3.45Å; D1597-S1599 PolarHBondContact OD1-N 3.15Å; D1597-S1599 PolarHBondContact OD1-OG 3.04Å; D1597-S1599 PolarHBondContact OD2-OG 2.64Å; D1597-P1600 WeakPolarHBondContact O-CD 3.28Å
1598L60.9Low60Low2 Ų248.6 Ų48.61%0.0126%0.257CS..  trans-72-2.5173.5-67.8178.8000113.4V1574 E1596 P1600 R1601 A1602 L1714V1574-L1598 HydrophobicContact CG2-CD1 3.52Å; V1574-L1598 HydrophobicContact CG2-CG 4.18Å; E1596-L1598 VanDerWaalsContact CD-CD2 3.47Å; E1596-L1598 HydrophobicContact CG-CD2 4.27Å; E1596-L1598 PolarHBondContact O-N 3.41Å; E1596-L1598 VanDerWaalsContact OE2-CD2 3.22Å; E1596-L1598 WeakPolarHBondContact OE2-CD2 3.44Å; L1598-P1600 VanDerWaalsContact C-N 3.28Å; L1598-P1600 VanDerWaalsContact O-N 3.14Å; L1598-R1601 PolarHBondContact O-N 3.15Å; L1598-A1602 HydrophobicContact CB-CB 4.16Å; L1598-A1602 PolarHBondContact O-N 3.12Å; L1598-L1714 HydrophobicContact CB-CD1 4.02Å; L1598-L1714 HydrophobicContact CD1-CD1 3.86Å; L1598-L1714 HydrophobicContact CG-CD1 4.5Å
1599S62.9Low62Low28 Ų2847.4 Ų47.420%0.19625%0.247CC..THydrogen-bonded Turntrans-54.3-33.2-176.677.70000114D1597 R1601 R1603D1597-S1599 PolarHBondContact O-N 3.49Å; D1597-S1599 WeakPolarHBondContact OD1-CA 3.38Å; D1597-S1599 WeakPolarHBondContact OD1-CB 3.45Å; D1597-S1599 PolarHBondContact OD1-N 3.15Å; D1597-S1599 PolarHBondContact OD1-OG 3.04Å; D1597-S1599 PolarHBondContact OD2-OG 2.64Å; S1599-R1601 PolarHBondContact O-N 3.2Å; S1599-R1603 VanDerWaalsContact C-NH1 3.33Å; S1599-R1603 PolarHBondContact O-NH1 3.09Å; S1599-R1603 PolarHBondContact O-NH2 3.42Å; S1599-R1603 VanDerWaalsContact O-NH2 3.11Å
1600P57.2Low64.3Low50 Ų5044.2 Ų44.233%0.32522%0.224SC..THydrogen-bonded Turntrans-62.1-29.1177.9-24.736.4000114.1L1406 D1597 L1598L1406-P1600 HydrophobicContact CD1-CB 4.43Å; L1406-P1600 HydrophobicContact CD2-CB 3.61Å; L1406-P1600 HydrophobicContact CD2-CG 4.34Å; D1597-P1600 WeakPolarHBondContact O-CD 3.28Å; L1598-P1600 VanDerWaalsContact C-N 3.28Å; L1598-P1600 VanDerWaalsContact O-N 3.14Å
1601R61.5Low66.5Low90 Ų9041.6 Ų41.634%0.3421%0.208SC..THydrogen-bonded Turntrans-119.5-9.3-17460.3178.8172.5148.8-5.3114.8L1406 E1596 L1598 S1599 E1716 A1717L1406-R1601 HydrophobicContact CD1-CB 4.5Å; E1596-R1601 IonicContact OE1-CZ 3.68Å; E1596-R1601 IonicContact OE1-NE 3.6Å; E1596-R1601 IonicContact OE1-NH2 2.62Å; E1596-R1601 PolarHBondContact OE1-NH2 3.48Å; E1596-R1601 IonicContact OE2-NH2 3.55Å; E1596-R1601 PolarHBondContact OE2-NH2 3.29Å; L1598-R1601 PolarHBondContact O-N 3.15Å; S1599-R1601 PolarHBondContact O-N 3.2Å; R1601-E1716 WeakPolarHBondContact O-CA 3.46Å; R1601-A1717 PolarHBondContact O-N 3.4Å
1602A68.3Low68.1Low1 Ų138 Ų381%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-139.9150.3-177.100000113.2L1598 L1714 F1715 A1729L1598-A1602 HydrophobicContact CB-CB 4.16Å; L1598-A1602 PolarHBondContact O-N 3.12Å; A1602-L1714 HydrophobicContact CB-CB 3.9Å; A1602-F1715 CarbonylContact C-O 3.6Å; A1602-F1715 WeakPolarHBondContact CA-O 3.39Å; A1602-F1715 WeakPolarHBondContact CB-O 3.38Å; A1602-A1729 HydrophobicContact CB-CB 3.43Å; A1602-A1729 VanDerWaalsContact CB-CB 3.43Å
1603R69.9Low69.6Low97 Ų9739.7 Ų39.737%0.36621%0.206SC..EExtended strand (participates in β ladder)trans-141.5149.6-177.7-64.2-75.1-179.2-112.9-14.3110.1S1599 F1715 A1717 T1724S1599-R1603 VanDerWaalsContact C-NH1 3.33Å; S1599-R1603 PolarHBondContact O-NH1 3.09Å; S1599-R1603 PolarHBondContact O-NH2 3.42Å; S1599-R1603 VanDerWaalsContact O-NH2 3.11Å; R1603-F1715 PolarHBondContact N-O 3.13Å; R1603-F1715 PolarHBondContact O-N 2.87Å; R1603-A1717 HydrophobicContact CB-CB 4.49Å; R1603-A1717 HydrophobicContact CG-CB 3.9Å; R1603-T1724 HydrophobicContact CB-CG2 3.9Å
1604T78.7Confident71.1Confident52 Ų5239.8 Ų39.832%0.31921%0.211SC..  trans-77.9153.5162.766.60000108.8G1606 A1710 S1711 L1714T1604-G1606 PolarHBondContact O-N 3.45Å; T1604-A1710 WeakPolarHBondContact CB-O 3.45Å; T1604-S1711 VanDerWaalsContact CG2-O 3.31Å; T1604-S1711 WeakPolarHBondContact CG2-O 3.24Å; T1604-L1714 HydrophobicContact CG2-CD2 3.8Å
1605T71.8Confident72.7Confident14 Ų1439.7 Ų39.79%0.08621%0.209CC..  trans-72.9-10.1176.958.30000113.3L1611 F1715 T1724T1605-L1611 HydrophobicContact CG2-CD2 3.65Å; T1605-L1611 WeakPolarHBondContact OG1-CD2 3.11Å; T1605-F1715 HydrophobicContact CG2-CD2 3.77Å; T1605-F1715 HydrophobicContact CG2-CE2 3.9Å; T1605-T1724 HydrophobicContact CG2-CG2 4.29Å
1606G68.1Low74.4Confident25 Ų2539 Ų3926%0.25821%0.206SC..  trans71.9169.9-173.300000113.5T1604T1604-G1606 PolarHBondContact O-N 3.45Å
1607L71.4Confident76Confident29 Ų2939 Ų3915%0.15221%0.206CC..SBendtrans-74.3-25.6-179-80.3165.6000113.6H1609 W1709 F1752 L1816 T1823 L1827 R1830L1607-H1609 VanDerWaalsContact C-N 3.34Å; L1607-H1609 PolarHBondContact O-N 3.24Å; L1607-W1709 HydrophobicContact CD2-CE3 4.34Å; L1607-W1709 HydrophobicContact CD2-CZ3 3.74Å; L1607-W1709 HydrophobicContact CG-CZ3 4.18Å; L1607-F1752 HydrophobicContact CD2-CE1 4.44Å; L1607-L1816 HydrophobicContact CD1-CB 3.94Å; L1607-L1816 HydrophobicContact CD1-CD1 4.38Å; L1607-L1816 HydrophobicContact CD1-CD2 4.22Å; L1607-L1816 HydrophobicContact CD1-CG 4.42Å; L1607-L1816 HydrophobicContact CD2-CD1 4.45Å; L1607-T1823 HydrophobicContact CB-CG2 4.42Å; L1607-L1827 HydrophobicContact CD2-CD2 4.27Å; L1607-R1830 PolarHBondContact O-NH1 3.02Å; L1607-R1830 PolarHBondContact O-NH2 2.81Å
1608M72.1Confident77.2Confident72 Ų7242.5 Ų42.536%0.35522%0.221SC..SBendtrans-73.2-23.9-174.3-70.4-59.9-66.800113.9T1823 V1826M1608-T1823 WeakPolarHBondContact SD-CA 3Å; M1608-T1823 HydrophobicContact SD-CG2 4.12Å; M1608-T1823 PolarHBondContact SD-OG1 2.81Å; M1608-T1823 VanDerWaalsContact SD-OG1 3.39Å; M1608-V1826 HydrophobicContact CE-CG2 3.86Å; M1608-V1826 HydrophobicContact SD-CG2 4.29Å
1609H79.5Confident78.5Confident128 Ų12842.4 Ų42.459%0.59322%0.221SC*.SBendtrans-110.2136.7-175.1-59.5-61000110.2L1607 R1830L1607-H1609 VanDerWaalsContact C-N 3.34Å; L1607-H1609 PolarHBondContact O-N 3.24Å; H1609-R1830 VanDerWaalsContact C-NH2 3.31Å; H1609-R1830 PolarHBondContact O-NH2 2.89Å
1610S85.8Confident79.9Confident23 Ų2341.1 Ų41.116%0.16121%0.211CC..PPolyproline II helixtrans-70.7144167.6178.80000109.5N1753 D1755S1610-N1753 WeakPolarHBondContact CA-O 3.35Å; S1610-D1755 VanDerWaalsContact CB-CG 3.46Å; S1610-D1755 WeakPolarHBondContact CB-OD2 3.4Å; S1610-D1755 PolarHBondContact OG-N 2.88Å
1611L89Confident81.2Confident2 Ų240.3 Ų40.31%0.0120%0.203CC..PPolyproline II helixtrans-60.2141.3168.6-67.6177.6000110.5T1605 Q1615 L1616 A1710 F1715 L1749 N1753T1605-L1611 HydrophobicContact CG2-CD2 3.65Å; T1605-L1611 WeakPolarHBondContact OG1-CD2 3.11Å; L1611-Q1615 HydrophobicContact CB-CB 4.36Å; L1611-Q1615 HydrophobicContact CD2-CB 4.28Å; L1611-L1616 HydrophobicContact CB-CD2 4.11Å; L1611-L1616 HydrophobicContact CB-CG 4.01Å; L1611-L1616 HydrophobicContact CD1-CD2 4.04Å; L1611-A1710 HydrophobicContact CD1-CB 4.38Å; L1611-A1710 HydrophobicContact CD2-CB 4.14Å; L1611-A1710 HydrophobicContact CG-CB 4.36Å; L1611-F1715 HydrophobicContact CD2-CE2 3.75Å; L1611-F1715 HydrophobicContact CD2-CZ 3.87Å; L1611-L1749 HydrophobicContact CD1-CD1 3.65Å; L1611-L1749 HydrophobicContact CD1-CD2 3.96Å; L1611-L1749 HydrophobicContact CD1-CG 3.92Å; L1611-N1753 HydrophobicContact CD1-CB 4.48Å; L1611-N1753 PolarHBondContact N-O 3.27Å
1612T88.5Confident82.2Confident66 Ų6637.3 Ų37.341%0.40520%0.195SC..PPolyproline II helixtrans-73162.7174.673.30000110.5G1614 Q1615 L1616 D1726T1612-G1614 PolarHBondContact O-N 2.76Å; T1612-G1614 PolarHBondContact OG1-N 3.34Å; T1612-Q1615 PolarHBondContact O-N 3.11Å; T1612-Q1615 WeakPolarHBondContact OG1-CG 3.33Å; T1612-Q1615 PolarHBondContact OG1-N 3.39Å; T1612-Q1615 VanDerWaalsContact OG1-N 3.1Å; T1612-L1616 WeakPolarHBondContact O-CG 3.35Å; T1612-L1616 PolarHBondContact O-N 2.89Å; T1612-D1726 PolarHBondContact OG1-OD1 2.89Å
1613K88.9Confident83.1Confident87 Ų8737.4 Ų37.438%0.37820%0.195SC..Hα-helixtrans-55.5-41.2171.8177.4177.7167.8173.60112L1616 I1617 T1762 E1765K1613-L1616 PolarHBondContact O-N 3.16Å; K1613-I1617 HydrophobicContact CG-CD1 4.06Å; K1613-I1617 VanDerWaalsContact O-CG1 3.31Å; K1613-I1617 WeakPolarHBondContact O-CG1 3.31Å; K1613-I1617 PolarHBondContact O-N 3.3Å; K1613-T1762 HydrophobicContact CB-CG2 3.96Å; K1613-T1762 HydrophobicContact CD-CG2 4.23Å; K1613-T1762 HydrophobicContact CG-CG2 3.95Å; K1613-E1765 VanDerWaalsContact CE-CD 3.45Å; K1613-E1765 WeakPolarHBondContact CE-OE1 3.31Å; K1613-E1765 VanDerWaalsContact CE-OE2 3.24Å; K1613-E1765 WeakPolarHBondContact CE-OE2 3.38Å; K1613-E1765 IonicContact NZ-OE1 3.38Å; K1613-E1765 PolarHBondContact NZ-OE1 2.88Å; K1613-E1765 IonicContact NZ-OE2 3.93Å; K1613-E1765 PolarHBondContact NZ-OE2 3.27Å
1614G87.5Confident83.8Confident19 Ų1932.8 Ų32.820%0.19618%0.178CC..Hα-helixtrans-65.1-46.3-179.800000112.4T1612 L1616 I1617 K1618 D1726T1612-G1614 PolarHBondContact O-N 2.76Å; T1612-G1614 PolarHBondContact OG1-N 3.34Å; G1614-L1616 PolarHBondContact O-N 2.65Å; G1614-I1617 PolarHBondContact O-N 3.24Å; G1614-K1618 PolarHBondContact O-N 3.3Å; G1614-D1726 WeakPolarHBondContact CA-OD2 3.49Å
1615Q89.3Confident83.7Confident4 Ų431.2 Ų31.22%0.01917%0.168CC..Hα-helixtrans-57.9-45.6172.7-72.1171.3-23.500111.7L1611 T1612 I1617 K1618 C1619 F1715 T1724 S1725 D1726L1611-Q1615 HydrophobicContact CB-CB 4.36Å; L1611-Q1615 HydrophobicContact CD2-CB 4.28Å; T1612-Q1615 PolarHBondContact O-N 3.11Å; T1612-Q1615 WeakPolarHBondContact OG1-CG 3.33Å; T1612-Q1615 PolarHBondContact OG1-N 3.39Å; T1612-Q1615 VanDerWaalsContact OG1-N 3.1Å; Q1615-I1617 PolarHBondContact O-N 3.23Å; Q1615-K1618 PolarHBondContact O-N 3.28Å; Q1615-K1618 VanDerWaalsContact O-N 3.14Å; Q1615-C1619 PolarHBondContact O-N 3.39Å; Q1615-C1619 PolarHBondContact O-SG 2.7Å; Q1615-F1715 HydrophobicContact CB-CE1 3.72Å; Q1615-F1715 HydrophobicContact CB-CZ 3.92Å; Q1615-F1715 HydrophobicContact CG-CD1 3.92Å; Q1615-F1715 HydrophobicContact CG-CE1 3.63Å; Q1615-F1715 HydrophobicContact CG-CZ 4.06Å; Q1615-T1724 PolarHBondContact NE2-OG1 3.34Å; Q1615-T1724 VanDerWaalsContact NE2-OG1 3.17Å; Q1615-S1725 PolarHBondContact NE2-O 3.07Å; Q1615-S1725 VanDerWaalsContact NE2-O 3.08Å; Q1615-D1726 HydrophobicContact CG-CB 4.5Å; Q1615-D1726 PolarHBondContact N-OD1 3.37Å
1616L92.2Very high84.2Confident0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-61.8-40.9177.6-72.8169.6000112.8L1611 T1612 K1613 G1614 K1618 C1619 A1620 L1749 Y1750 V1754 V1758 V1766L1611-L1616 HydrophobicContact CB-CD2 4.11Å; L1611-L1616 HydrophobicContact CB-CG 4.01Å; L1611-L1616 HydrophobicContact CD1-CD2 4.04Å; T1612-L1616 WeakPolarHBondContact O-CG 3.35Å; T1612-L1616 PolarHBondContact O-N 2.89Å; K1613-L1616 PolarHBondContact O-N 3.16Å; G1614-L1616 PolarHBondContact O-N 2.65Å; L1616-K1618 VanDerWaalsContact C-N 3.31Å; L1616-K1618 PolarHBondContact O-N 3.18Å; L1616-C1619 PolarHBondContact O-N 3.36Å; L1616-A1620 WeakPolarHBondContact O-CB 3.41Å; L1616-A1620 PolarHBondContact O-N 3.14Å; L1616-L1749 HydrophobicContact CD2-CD2 3.83Å; L1616-L1749 HydrophobicContact CD2-CG 4.38Å; L1616-Y1750 HydrophobicContact CD1-CE1 4.11Å; L1616-V1754 HydrophobicContact CD1-CG1 4.17Å; L1616-V1754 HydrophobicContact CD1-CG2 4.11Å; L1616-V1754 HydrophobicContact CD2-CG2 3.64Å; L1616-V1754 HydrophobicContact CG-CG2 4.42Å; L1616-V1758 HydrophobicContact CD1-CG1 4.11Å; L1616-V1766 HydrophobicContact CB-CG1 4.28Å; L1616-V1766 HydrophobicContact CB-CG2 3.93Å; L1616-V1766 WeakPolarHBondContact O-CG1 3.15Å
1617I91.2Very high85.3Confident23 Ų2330 Ų3012%0.11816%0.155CC..Hα-helixtrans-61.2-43.1174.4-71.6169.8000110.1K1613 G1614 Q1615 A1620 E1621 V1766 R1769K1613-I1617 HydrophobicContact CG-CD1 4.06Å; K1613-I1617 VanDerWaalsContact O-CG1 3.31Å; K1613-I1617 WeakPolarHBondContact O-CG1 3.31Å; K1613-I1617 PolarHBondContact O-N 3.3Å; G1614-I1617 PolarHBondContact O-N 3.24Å; Q1615-I1617 PolarHBondContact O-N 3.23Å; I1617-A1620 WeakPolarHBondContact O-CB 3.35Å; I1617-A1620 PolarHBondContact O-N 3.43Å; I1617-E1621 HydrophobicContact CG2-CG 4.38Å; I1617-E1621 WeakPolarHBondContact O-CG 3.35Å; I1617-E1621 PolarHBondContact O-N 2.99Å; I1617-V1766 HydrophobicContact CG1-CG2 4Å; I1617-R1769 HydrophobicContact CG2-CG 4.3Å
1618K86.9Confident85.7Confident81 Ų8128.6 Ų28.635%0.35215%0.148SC..Hα-helixtrans-69.5-38.4179.2-70.7-64.9176.1-162.70113.2G1614 Q1615 L1616 A1620 E1621 T1622 D1726 I1728G1614-K1618 PolarHBondContact O-N 3.3Å; Q1615-K1618 PolarHBondContact O-N 3.28Å; Q1615-K1618 VanDerWaalsContact O-N 3.14Å; L1616-K1618 VanDerWaalsContact C-N 3.31Å; L1616-K1618 PolarHBondContact O-N 3.18Å; K1618-A1620 VanDerWaalsContact C-N 3.34Å; K1618-A1620 PolarHBondContact O-N 2.89Å; K1618-E1621 WeakPolarHBondContact CD-OE2 3.35Å; K1618-E1621 IonicContact NZ-OE2 2.67Å; K1618-E1621 PolarHBondContact NZ-OE2 2.87Å; K1618-E1621 PolarHBondContact O-N 3.38Å; K1618-T1622 WeakPolarHBondContact O-CB 3.44Å; K1618-T1622 PolarHBondContact O-N 3.17Å; K1618-T1622 PolarHBondContact O-OG1 3.22Å; K1618-T1622 VanDerWaalsContact O-OG1 3.06Å; K1618-D1726 VanDerWaalsContact CB-O 3.23Å; K1618-D1726 WeakPolarHBondContact CB-O 3.48Å; K1618-D1726 HydrophobicContact CG-CB 4.44Å; K1618-D1726 WeakPolarHBondContact CG-O 3.39Å; K1618-I1728 HydrophobicContact CB-CD1 4.44Å
1619C89Confident86.1Confident0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-58.2-46.6170.2-66.90000111.6Q1615 L1616 T1622 L1623 F1708 I1728 L1749Q1615-C1619 PolarHBondContact O-N 3.39Å; Q1615-C1619 PolarHBondContact O-SG 2.7Å; L1616-C1619 PolarHBondContact O-N 3.36Å; C1619-T1622 PolarHBondContact O-N 3.29Å; C1619-L1623 WeakPolarHBondContact O-CB 3.48Å; C1619-L1623 WeakPolarHBondContact O-CG 3.2Å; C1619-L1623 PolarHBondContact O-N 2.91Å; C1619-F1708 HydrophobicContact CB-CE1 4.08Å; C1619-F1708 HydrophobicContact CB-CZ 4.26Å; C1619-I1728 HydrophobicContact CB-CD1 4.45Å; C1619-L1749 HydrophobicContact CB-CD2 3.75Å
1620A90.5Very high86.3Confident0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-62-44.5177.200000112.7L1616 I1617 K1618 A1624 L1746 V1766 Y1770L1616-A1620 WeakPolarHBondContact O-CB 3.41Å; L1616-A1620 PolarHBondContact O-N 3.14Å; I1617-A1620 WeakPolarHBondContact O-CB 3.35Å; I1617-A1620 PolarHBondContact O-N 3.43Å; K1618-A1620 VanDerWaalsContact C-N 3.34Å; K1618-A1620 PolarHBondContact O-N 2.89Å; A1620-A1624 WeakPolarHBondContact O-CB 3.24Å; A1620-A1624 PolarHBondContact O-N 3.33Å; A1620-L1746 HydrophobicContact CB-CD1 4.38Å; A1620-L1746 HydrophobicContact CB-CD2 4.5Å; A1620-V1766 HydrophobicContact CB-CG1 3.55Å; A1620-Y1770 WeakPolarHBondContact O-CD2 3.47Å
1621E85.9Confident86.2Confident33 Ų3320.5 Ų20.515%0.15411%0.108CC..Hα-helixtrans-63.7-42176.9-74177171.100111.9I1617 K1618 A1624 V1625I1617-E1621 HydrophobicContact CG2-CG 4.38Å; I1617-E1621 WeakPolarHBondContact O-CG 3.35Å; I1617-E1621 PolarHBondContact O-N 2.99Å; K1618-E1621 WeakPolarHBondContact CD-OE2 3.35Å; K1618-E1621 IonicContact NZ-OE2 2.67Å; K1618-E1621 PolarHBondContact NZ-OE2 2.87Å; K1618-E1621 PolarHBondContact O-N 3.38Å; E1621-A1624 PolarHBondContact O-N 2.83Å; E1621-V1625 WeakPolarHBondContact O-CG2 3.39Å; E1621-V1625 PolarHBondContact O-N 3.08Å; E1621-V1625 VanDerWaalsContact O-N 3.1Å
1622T81.4Confident85.6Confident28 Ų2822.7 Ų22.717%0.17212%0.12CC..Hα-helixtrans-67.5-42.2178-60.50000112.1K1618 C1619 A1624 V1625 L1626 I1731K1618-T1622 WeakPolarHBondContact O-CB 3.44Å; K1618-T1622 PolarHBondContact O-N 3.17Å; K1618-T1622 PolarHBondContact O-OG1 3.22Å; K1618-T1622 VanDerWaalsContact O-OG1 3.06Å; C1619-T1622 PolarHBondContact O-N 3.29Å; T1622-A1624 VanDerWaalsContact C-N 3.34Å; T1622-A1624 PolarHBondContact O-N 3.27Å; T1622-V1625 WeakPolarHBondContact O-CB 3.45Å; T1622-V1625 PolarHBondContact O-N 3.28Å; T1622-L1626 PolarHBondContact O-N 3.29Å; T1622-L1626 VanDerWaalsContact O-N 3.09Å; T1622-I1731 HydrophobicContact CG2-CD1 3.63Å
1623L87.7Confident84.8Confident2 Ų220.6 Ų20.61%0.0111%0.107CC..Hα-helixtrans-62.3-41.5174.1-75.6175.1000111.9C1619 V1625 L1626 Q1627 F1708 D1745 L1746 Y1770C1619-L1623 WeakPolarHBondContact O-CB 3.48Å; C1619-L1623 WeakPolarHBondContact O-CG 3.2Å; C1619-L1623 PolarHBondContact O-N 2.91Å; L1623-V1625 PolarHBondContact O-N 2.87Å; L1623-L1626 PolarHBondContact O-N 3.19Å; L1623-Q1627 WeakPolarHBondContact O-CB 3.32Å; L1623-Q1627 WeakPolarHBondContact O-CG 3.19Å; L1623-Q1627 PolarHBondContact O-N 2.86Å; L1623-F1708 HydrophobicContact CD1-CD1 3.83Å; L1623-F1708 HydrophobicContact CD1-CE1 3.54Å; L1623-F1708 HydrophobicContact CD1-CZ 4.13Å; L1623-F1708 HydrophobicContact CD2-CD1 4.26Å; L1623-F1708 HydrophobicContact CD2-CD2 4.18Å; L1623-F1708 HydrophobicContact CD2-CE1 4.11Å; L1623-F1708 HydrophobicContact CD2-CE2 4.05Å; L1623-F1708 HydrophobicContact CD2-CG 4.29Å; L1623-F1708 HydrophobicContact CD2-CZ 4Å; L1623-F1708 HydrophobicContact CG-CD1 4.36Å; L1623-F1708 HydrophobicContact CG-CE1 3.85Å; L1623-F1708 HydrophobicContact CG-CE2 4.45Å; L1623-F1708 HydrophobicContact CG-CZ 3.9Å; L1623-D1745 HydrophobicContact CD1-CB 3.8Å; L1623-D1745 HydrophobicContact CD2-CB 3.73Å; L1623-D1745 HydrophobicContact CG-CB 4.44Å; L1623-L1746 HydrophobicContact CD1-CB 4.1Å; L1623-L1746 HydrophobicContact CD1-CD1 4.38Å; L1623-Y1770 HydrophobicContact CB-CD2 4.44Å; L1623-Y1770 HydrophobicContact CB-CE2 4.31Å
1624A84.7Confident83.8Confident0 Ų024.6 Ų24.60%013%0.127CC..Hα-helixtrans-60.7-35.9175.400000111.9A1620 E1621 T1622 A1628 Y1770 K1773 M1774A1620-A1624 WeakPolarHBondContact O-CB 3.24Å; A1620-A1624 PolarHBondContact O-N 3.33Å; E1621-A1624 PolarHBondContact O-N 2.83Å; T1622-A1624 VanDerWaalsContact C-N 3.34Å; T1622-A1624 PolarHBondContact O-N 3.27Å; A1624-A1628 WeakPolarHBondContact O-CB 3.41Å; A1624-A1628 PolarHBondContact O-N 3.32Å; A1624-Y1770 HydrophobicContact CB-CD2 3.69Å; A1624-Y1770 HydrophobicContact CB-CE2 3.9Å; A1624-Y1770 HydrophobicContact CB-CG 4.35Å; A1624-K1773 HydrophobicContact CB-CB 3.74Å; A1624-K1773 HydrophobicContact CB-CG 3.92Å; A1624-M1774 HydrophobicContact CB-CG 3.84Å; A1624-M1774 HydrophobicContact CB-SD 4.31Å
1625V77.5Confident82.9Confident19 Ų1927.3 Ų27.312%0.11513%0.132CC..Hα-helixtrans-65.1-51.3175.4170.50000111.1K1564 Y1568 E1621 T1622 L1623 Q1627 A1628 W1629 L1777K1564-V1625 HydrophobicContact CD-CG1 4.19Å; K1564-V1625 HydrophobicContact CG-CG1 4.06Å; K1564-V1625 HydrophobicContact CG-CG2 4.17Å; Y1568-V1625 HydrophobicContact CD2-CG1 4.34Å; Y1568-V1625 HydrophobicContact CE2-CG1 3.56Å; E1621-V1625 WeakPolarHBondContact O-CG2 3.39Å; E1621-V1625 PolarHBondContact O-N 3.08Å; E1621-V1625 VanDerWaalsContact O-N 3.1Å; T1622-V1625 WeakPolarHBondContact O-CB 3.45Å; T1622-V1625 PolarHBondContact O-N 3.28Å; L1623-V1625 PolarHBondContact O-N 2.87Å; V1625-Q1627 PolarHBondContact O-N 3.19Å; V1625-A1628 PolarHBondContact O-N 3.34Å; V1625-W1629 PolarHBondContact O-N 2.99Å; V1625-L1777 HydrophobicContact CB-CD1 4.39Å; V1625-L1777 HydrophobicContact CG2-CD1 3.8Å
1626L82Confident82.3Confident14 Ų1432.7 Ų32.77%0.07316%0.157CC..Hα-helixtrans-60.7-45.7-179.9178.368.7000111.9L1455 T1622 L1623 W1629 S1630 F1703 W1734L1455-L1626 HydrophobicContact CD2-CD1 3.95Å; T1622-L1626 PolarHBondContact O-N 3.29Å; T1622-L1626 VanDerWaalsContact O-N 3.09Å; L1623-L1626 PolarHBondContact O-N 3.19Å; L1626-W1629 HydrophobicContact CD1-CE3 4.32Å; L1626-W1629 WeakPolarHBondContact O-CB 3.27Å; L1626-W1629 PolarHBondContact O-N 3.36Å; L1626-S1630 PolarHBondContact O-N 3.48Å; L1626-S1630 VanDerWaalsContact O-N 3.09Å; L1626-F1703 HydrophobicContact CD1-CD1 4.29Å; L1626-F1703 HydrophobicContact CD2-CD1 3.94Å; L1626-F1703 HydrophobicContact CD2-CE1 4.39Å; L1626-F1703 HydrophobicContact CG-CD1 4.21Å; L1626-W1734 HydrophobicContact CD2-CH2 3.86Å; L1626-W1734 HydrophobicContact CD2-CZ3 3.74Å
1627Q89.6Confident81.8Confident0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-74.7-33.5-176.3-69174.6-6.800111.7L1623 V1625 S1630 L1631 V1702 F1703 F1742 Y1770 M1774L1623-Q1627 WeakPolarHBondContact O-CB 3.32Å; L1623-Q1627 WeakPolarHBondContact O-CG 3.19Å; L1623-Q1627 PolarHBondContact O-N 2.86Å; V1625-Q1627 PolarHBondContact O-N 3.19Å; Q1627-S1630 PolarHBondContact O-N 3.17Å; Q1627-S1630 PolarHBondContact O-OG 3.44Å; Q1627-L1631 WeakPolarHBondContact O-CG 3.36Å; Q1627-L1631 PolarHBondContact O-N 3.22Å; Q1627-V1702 HydrophobicContact CB-CB 4.04Å; Q1627-V1702 HydrophobicContact CB-CG1 4.3Å; Q1627-V1702 HydrophobicContact CB-CG2 4.19Å; Q1627-V1702 HydrophobicContact CG-CB 4.07Å; Q1627-V1702 HydrophobicContact CG-CG2 3.79Å; Q1627-F1703 WeakPolarHBondContact CG-O 3.06Å; Q1627-F1742 PolarHBondContact OE1-O 3.03Å; Q1627-Y1770 VanDerWaalsContact OE1-CE2 3.25Å; Q1627-Y1770 VanDerWaalsContact OE1-CZ 3.23Å; Q1627-Y1770 PolarHBondContact OE1-OH 3.04Å; Q1627-M1774 HydrophobicContact CB-CE 4.27Å; Q1627-M1774 HydrophobicContact CB-SD 4.07Å
1628A81.5Confident81.4Confident0 Ų035.9 Ų35.90%017%0.17CC..Hα-helixtrans-63.5-42.217000000111.9A1624 V1625 S1630 L1631 N1632 M1774 L1777 A1778A1624-A1628 WeakPolarHBondContact O-CB 3.41Å; A1624-A1628 PolarHBondContact O-N 3.32Å; V1625-A1628 PolarHBondContact O-N 3.34Å; A1628-S1630 VanDerWaalsContact C-N 3.28Å; A1628-S1630 PolarHBondContact O-N 2.76Å; A1628-L1631 PolarHBondContact O-N 3.01Å; A1628-L1631 VanDerWaalsContact O-N 3.12Å; A1628-N1632 PolarHBondContact O-N 3.36Å; A1628-N1632 VanDerWaalsContact O-N 3.13Å; A1628-N1632 PolarHBondContact O-ND2 3.14Å; A1628-M1774 HydrophobicContact CB-SD 3.86Å; A1628-M1774 PolarHBondContact N-SD 3.33Å; A1628-L1777 HydrophobicContact CB-CB 3.48Å; A1628-L1777 VanDerWaalsContact CB-CB 3.48Å; A1628-L1777 HydrophobicContact CB-CD1 4.19Å; A1628-A1778 HydrophobicContact CB-CB 4.09Å
1629W79.7Confident81.1Confident12 Ų1239 Ų395%0.04518%0.184CC..Hα-helixtrans-55-46.2172.6164.581.8000110.5M1454 L1455 E1458 V1625 L1626 L1631 N1632 T1633 W1637 F1703M1454-W1629 HydrophobicContact CE-CH2 3.24Å; M1454-W1629 HydrophobicContact CE-CZ2 4.17Å; M1454-W1629 HydrophobicContact CE-CZ3 3.74Å; M1454-W1629 HydrophobicContact CG-CH2 4.04Å; M1454-W1629 HydrophobicContact CG-CZ2 4.21Å; M1454-W1629 HydrophobicContact SD-CH2 3.59Å; M1454-W1629 VanDerWaalsContact SD-CH2 3.59Å; M1454-W1629 HydrophobicContact SD-CZ2 4.32Å; L1455-W1629 HydrophobicContact CD2-CE3 4.45Å; L1455-W1629 HydrophobicContact CD2-CH2 4.47Å; L1455-W1629 HydrophobicContact CD2-CZ3 4.31Å; E1458-W1629 VanDerWaalsContact OE2-CE2 3.31Å; E1458-W1629 WeakPolarHBondContact OE2-CZ2 3.44Å; E1458-W1629 PolarHBondContact OE2-NE1 3.22Å; V1625-W1629 PolarHBondContact O-N 2.99Å; L1626-W1629 HydrophobicContact CD1-CE3 4.32Å; L1626-W1629 WeakPolarHBondContact O-CB 3.27Å; L1626-W1629 PolarHBondContact O-N 3.36Å; W1629-L1631 PolarHBondContact O-N 3.09Å; W1629-L1631 VanDerWaalsContact O-N 3.15Å; W1629-N1632 PolarHBondContact O-N 3.38Å; W1629-T1633 HydrophobicContact CD2-CG2 4.42Å; W1629-T1633 HydrophobicContact CH2-CG2 4.32Å; W1629-T1633 HydrophobicContact CZ2-CG2 4.04Å; W1629-T1633 VanDerWaalsContact O-CB 3.29Å; W1629-T1633 WeakPolarHBondContact O-CB 3.49Å; W1629-T1633 VanDerWaalsContact O-CG2 3.26Å; W1629-T1633 WeakPolarHBondContact O-CG2 3.26Å; W1629-T1633 PolarHBondContact O-N 3.28Å; W1629-W1637 HydrophobicContact CH2-CB 4.24Å; W1629-W1637 HydrophobicContact CH2-CG 4.36Å; W1629-F1703 HydrophobicContact CZ3-CB 4.36Å; W1629-F1703 AromaticContact CZ3-CD2 3.89Å; W1629-F1703 HydrophobicContact CZ3-CD2 3.89Å; W1629-F1703 HydrophobicContact CZ3-CG 4.28Å
1630S84.7Confident80.5Confident6 Ų642.8 Ų42.84%0.04220%0.201CC..Hα-helixtrans-62.6-24.8179.880.70000114.8L1626 Q1627 A1628 W1637 V1702 F1703L1626-S1630 PolarHBondContact O-N 3.48Å; L1626-S1630 VanDerWaalsContact O-N 3.09Å; Q1627-S1630 PolarHBondContact O-N 3.17Å; Q1627-S1630 PolarHBondContact O-OG 3.44Å; A1628-S1630 VanDerWaalsContact C-N 3.28Å; A1628-S1630 PolarHBondContact O-N 2.76Å; S1630-W1637 PolarHBondContact O-NE1 3.43Å; S1630-V1702 WeakPolarHBondContact OG-CA 3.41Å; S1630-V1702 WeakPolarHBondContact OG-CB 3.21Å; S1630-F1703 VanDerWaalsContact CB-CB 3.46Å; S1630-F1703 PolarHBondContact OG-N 3.12Å
1631L83.3Confident80Confident34 Ų3443.2 Ų43.218%0.17820%0.204CC..Hα-helixtrans-85-25.4176.7-69.8175.6000113.1Q1627 A1628 W1629 I1699 P1700 V1702 M1774 A1778 T1781Q1627-L1631 WeakPolarHBondContact O-CG 3.36Å; Q1627-L1631 PolarHBondContact O-N 3.22Å; A1628-L1631 PolarHBondContact O-N 3.01Å; A1628-L1631 VanDerWaalsContact O-N 3.12Å; W1629-L1631 PolarHBondContact O-N 3.09Å; W1629-L1631 VanDerWaalsContact O-N 3.15Å; L1631-I1699 HydrophobicContact CD1-CG2 4.19Å; L1631-I1699 HydrophobicContact CD2-CG2 4.46Å; L1631-P1700 HydrophobicContact CD2-CB 4.33Å; L1631-V1702 HydrophobicContact CD1-CG1 4.19Å; L1631-V1702 HydrophobicContact CD2-CG1 3.83Å; L1631-V1702 HydrophobicContact CG-CG1 3.9Å; L1631-M1774 HydrophobicContact CD1-CE 3.57Å; L1631-A1778 HydrophobicContact CB-CB 4.33Å; L1631-A1778 HydrophobicContact CD1-CB 4.11Å; L1631-T1781 HydrophobicContact CD1-CG2 4.2Å; L1631-T1781 HydrophobicContact CD2-CG2 4.46Å
1632N76.3Confident79.7Confident48 Ų4843.2 Ų43.226%0.25721%0.206SC..Hα-helixtrans-105.2-23.9-173.3-69.5-23.9000113.4E1462 A1628 W1629 L1777E1462-N1632 HydrophobicContact CG-CB 4.26Å; E1462-N1632 WeakPolarHBondContact OE1-CB 3.2Å; E1462-N1632 PolarHBondContact OE1-ND2 2.9Å; A1628-N1632 PolarHBondContact O-N 3.36Å; A1628-N1632 VanDerWaalsContact O-N 3.13Å; A1628-N1632 PolarHBondContact O-ND2 3.14Å; W1629-N1632 PolarHBondContact O-N 3.38Å; N1632-L1777 PolarHBondContact ND2-O 3.18Å
1633T70.5Confident79.5Confident23 Ų2344.9 Ų44.914%0.14121%0.214CC..  trans-62.3146.3-177.8179.10000112E1458 W1629 Y1635 W1637E1458-T1633 PolarHBondContact OE1-OG1 2.89Å; E1458-T1633 WeakPolarHBondContact OE2-CB 3.47Å; E1458-T1633 PolarHBondContact OE2-OG1 2.85Å; W1629-T1633 HydrophobicContact CD2-CG2 4.42Å; W1629-T1633 HydrophobicContact CH2-CG2 4.32Å; W1629-T1633 HydrophobicContact CZ2-CG2 4.04Å; W1629-T1633 VanDerWaalsContact O-CB 3.29Å; W1629-T1633 WeakPolarHBondContact O-CB 3.49Å; W1629-T1633 VanDerWaalsContact O-CG2 3.26Å; W1629-T1633 WeakPolarHBondContact O-CG2 3.26Å; W1629-T1633 PolarHBondContact O-N 3.28Å; T1633-Y1635 WeakPolarHBondContact OG1-CB 3.43Å; T1633-Y1635 PolarHBondContact OG1-N 2.95Å; T1633-W1637 VanDerWaalsContact CG2-CD1 3.43Å
1634Q69.4Low78.7Confident171 Ų17145 Ų4580%0.79922%0.216SC*.  trans-87.2-11.3168.9-65-171.9-3.200112.3E1636Q1634-E1636 PolarHBondContact O-N 3.12Å
1635Y67.9Low78Confident75 Ų7550.6 Ų50.629%0.29424%0.24SC..SBendtrans-65.4131.9176.7-169.3-88.8000110.5M1454 E1458 T1633 W1637 E1640M1454-Y1635 HydrophobicContact CB-CE1 4.27Å; M1454-Y1635 HydrophobicContact CG-CD1 3.66Å; M1454-Y1635 HydrophobicContact CG-CE1 3.42Å; M1454-Y1635 VanDerWaalsContact CG-CE1 3.42Å; M1454-Y1635 HydrophobicContact CG-CE2 4.36Å; M1454-Y1635 HydrophobicContact CG-CG 4.25Å; M1454-Y1635 HydrophobicContact SD-CD1 3.69Å; M1454-Y1635 HydrophobicContact SD-CE1 3.49Å; M1454-Y1635 WeakPolarHBondContact SD-CE1 3.08Å; E1458-Y1635 HydrophobicContact CG-CD2 4.28Å; E1458-Y1635 WeakPolarHBondContact OE1-CB 3.24Å; T1633-Y1635 WeakPolarHBondContact OG1-CB 3.43Å; T1633-Y1635 PolarHBondContact OG1-N 2.95Å; Y1635-W1637 HydrophobicContact CD1-CB 3.79Å; Y1635-W1637 VanDerWaalsContact CD1-N 3.3Å; Y1635-W1637 HydrophobicContact CE1-CB 4.24Å; Y1635-W1637 VanDerWaalsContact O-CD1 3.29Å; Y1635-W1637 PolarHBondContact O-N 3.34Å; Y1635-E1640 HydrophobicContact CE1-CG 4.25Å
1636E77.6Confident77.5Confident118 Ų11852.5 Ų52.555%0.55125%0.252SS*.  trans-77.651.4-179.8-63-172122.800111.8Q1634 K1638 K1639Q1634-E1636 PolarHBondContact O-N 3.12Å; E1636-K1638 PolarHBondContact O-N 3.4Å; E1636-K1639 HydrophobicContact CB-CD 4.07Å; E1636-K1639 HydrophobicContact CB-CG 4.23Å; E1636-K1639 VanDerWaalsContact CD-CE 3.41Å; E1636-K1639 WeakPolarHBondContact O-CB 3.13Å; E1636-K1639 PolarHBondContact O-N 3.22Å; E1636-K1639 WeakPolarHBondContact OE1-CE 3.14Å; E1636-K1639 IonicContact OE1-NZ 3.26Å; E1636-K1639 PolarHBondContact OE1-NZ 3.29Å; E1636-K1639 WeakPolarHBondContact OE2-CD 3Å; E1636-K1639 VanDerWaalsContact OE2-CE 3.26Å; E1636-K1639 WeakPolarHBondContact OE2-CE 3.49Å; E1636-K1639 IonicContact OE2-NZ 3.26Å; E1636-K1639 PolarHBondContact OE2-NZ 3.3Å
1637W80.8Confident76.6Confident6 Ų653.2 Ų53.22%0.02325%0.254CS..Hα-helixtrans-56.3-27.7-177.461.4-92.4000112.3M1454 W1629 S1630 T1633 Y1635 K1639 E1640 L1641 V1702 F1703 Q1739M1454-W1637 HydrophobicContact SD-CB 3.51Å; M1454-W1637 VanDerWaalsContact SD-CB 3.51Å; W1629-W1637 HydrophobicContact CH2-CB 4.24Å; W1629-W1637 HydrophobicContact CH2-CG 4.36Å; S1630-W1637 PolarHBondContact O-NE1 3.43Å; T1633-W1637 VanDerWaalsContact CG2-CD1 3.43Å; Y1635-W1637 HydrophobicContact CD1-CB 3.79Å; Y1635-W1637 VanDerWaalsContact CD1-N 3.3Å; Y1635-W1637 HydrophobicContact CE1-CB 4.24Å; Y1635-W1637 VanDerWaalsContact O-CD1 3.29Å; Y1635-W1637 PolarHBondContact O-N 3.34Å; W1637-K1639 PolarHBondContact O-N 2.8Å; W1637-E1640 PolarHBondContact O-N 3.28Å; W1637-L1641 HydrophobicContact CE3-CD1 3.77Å; W1637-L1641 HydrophobicContact CZ3-CD1 4.19Å; W1637-L1641 PolarHBondContact O-N 2.99Å; W1637-V1702 WeakPolarHBondContact CH2-O 3.05Å; W1637-F1703 HydrophobicContact CD2-CD2 4.3Å; W1637-F1703 HydrophobicContact CE3-CB 4.26Å; W1637-F1703 AromaticContact CE3-CD2 3.89Å; W1637-F1703 HydrophobicContact CE3-CD2 3.89Å; W1637-F1703 HydrophobicContact CE3-CG 4.5Å; W1637-F1703 HydrophobicContact CH2-CB 4.34Å; W1637-F1703 VanDerWaalsContact CH2-N 3.3Å; W1637-F1703 HydrophobicContact CZ3-CB 4.12Å; W1637-F1703 HydrophobicContact CZ3-CD2 4.43Å; W1637-Q1739 HydrophobicContact CE3-CG 4.35Å; W1637-Q1739 HydrophobicContact CH2-CB 4.5Å; W1637-Q1739 HydrophobicContact CH2-CG 4.26Å; W1637-Q1739 HydrophobicContact CZ3-CB 4.17Å; W1637-Q1739 HydrophobicContact CZ3-CG 3.64Å
1638K83.2Confident75.4Confident84 Ų8454.4 Ų54.437%0.36526%0.261SS..Hα-helixtrans-61.7-22.3174.2-64-171.2177.9-1710113.5E1636 D1701 Q1739E1636-K1638 PolarHBondContact O-N 3.4Å; K1638-D1701 PolarHBondContact NZ-O 2.71Å; K1638-Q1739 HydrophobicContact CB-CG 4.39Å; K1638-Q1739 HydrophobicContact CG-CG 4.26Å; K1638-Q1739 PolarHBondContact O-NE2 2.94Å
1639K80.9Confident74.6Confident146 Ų14657.6 Ų57.664%0.63528%0.278SS*.Hα-helixtrans-81.1-27173.9-66.4-176.1-176.9170.30112.4E1636 W1637E1636-K1639 HydrophobicContact CB-CD 4.07Å; E1636-K1639 HydrophobicContact CB-CG 4.23Å; E1636-K1639 VanDerWaalsContact CD-CE 3.41Å; E1636-K1639 WeakPolarHBondContact O-CB 3.13Å; E1636-K1639 PolarHBondContact O-N 3.22Å; E1636-K1639 WeakPolarHBondContact OE1-CE 3.14Å; E1636-K1639 IonicContact OE1-NZ 3.26Å; E1636-K1639 PolarHBondContact OE1-NZ 3.29Å; E1636-K1639 WeakPolarHBondContact OE2-CD 3Å; E1636-K1639 VanDerWaalsContact OE2-CE 3.26Å; E1636-K1639 WeakPolarHBondContact OE2-CE 3.49Å; E1636-K1639 IonicContact OE2-NZ 3.26Å; E1636-K1639 PolarHBondContact OE2-NZ 3.3Å; W1637-K1639 PolarHBondContact O-N 2.8Å
1640E76Confident73.7Confident79 Ų7957.6 Ų57.637%0.36928%0.279SS..Hα-helixtrans-84.8-20.3-178.7-63.1-58.5143.700112.9T1450 Y1635 W1637T1450-E1640 HydrophobicContact CG2-CB 3.97Å; T1450-E1640 HydrophobicContact CG2-CG 3.93Å; Y1635-E1640 HydrophobicContact CE1-CG 4.25Å; W1637-E1640 PolarHBondContact O-N 3.28Å
1641L80Confident72.5Confident10 Ų1059.6 Ų59.65%0.05229%0.287CS..SBendtrans-114.6145.4-174.7-65.5-176.3000113.5I1447 I1451 W1637 F1703 Q1739I1447-L1641 HydrophobicContact CG2-CD2 3.8Å; I1451-L1641 HydrophobicContact CD1-CD2 4Å; I1451-L1641 HydrophobicContact CG1-CD2 4.17Å; W1637-L1641 HydrophobicContact CE3-CD1 3.77Å; W1637-L1641 HydrophobicContact CZ3-CD1 4.19Å; W1637-L1641 PolarHBondContact O-N 2.99Å; L1641-F1703 HydrophobicContact CD1-CD2 3.39Å; L1641-F1703 HydrophobicContact CD1-CE2 3.16Å; L1641-F1703 HydrophobicContact CD1-CG 4.19Å; L1641-F1703 HydrophobicContact CD1-CZ 3.81Å; L1641-F1703 HydrophobicContact CG-CE2 4.25Å; L1641-Q1739 HydrophobicContact CB-CG 4.29Å; L1641-Q1739 PolarHBondContact O-NE2 3.15Å
1642P78.9Confident71.2Confident32 Ų3262.2 Ų62.221%0.20830%0.298CS..  trans-59146.2174.9-18.830000113.1I1447 H1738 Q1739I1447-P1642 HydrophobicContact CD1-CG 4.12Å; P1642-H1738 HydrophobicContact CB-CB 4.33Å; P1642-H1738 WeakPolarHBondContact O-CB 3.45Å; P1642-Q1739 WeakPolarHBondContact O-CG 3.43Å; P1642-Q1739 PolarHBondContact O-N 2.57Å
1643D77.8Confident70.5Confident63 Ų6360.7 Ų60.734%0.33729%0.292SS..  trans-66.8145.4169.8-171.1-44.2000110.3K1645 V1646 R1696D1643-K1645 PolarHBondContact O-N 3.27Å; D1643-K1645 PolarHBondContact OD1-N 3.4Å; D1643-V1646 WeakPolarHBondContact O-CB 3.45Å; D1643-V1646 PolarHBondContact O-N 3.38Å; D1643-R1696 IonicContact OD1-NH2 2.71Å; D1643-R1696 PolarHBondContact OD1-NH2 3.35Å
1644A69.6Low69.9Low6 Ų661.4 Ų61.45%0.0529%0.293CS..Hα-helixtrans-43.7-37.9171.800000112.6V1646 F1647 L1648 Q1739A1644-V1646 PolarHBondContact O-N 2.86Å; A1644-F1647 PolarHBondContact O-N 2.97Å; A1644-L1648 WeakPolarHBondContact O-CG 3.49Å; A1644-L1648 PolarHBondContact O-N 3.5Å; A1644-Q1739 WeakPolarHBondContact CA-O 3.35Å; A1644-Q1739 WeakPolarHBondContact CB-O 3.45Å; A1644-Q1739 PolarHBondContact N-O 3.2Å
1645K70.2Confident69.3Low116 Ų11654.6 Ų54.650%0.50426%0.262SS..Hα-helixtrans-61.6-40.6-179.2-165.2175-178.6-177.20112.9D1643 F1647 L1648 D1649 M1693D1643-K1645 PolarHBondContact O-N 3.27Å; D1643-K1645 PolarHBondContact OD1-N 3.4Å; K1645-F1647 PolarHBondContact O-N 3.18Å; K1645-L1648 PolarHBondContact O-N 2.94Å; K1645-D1649 WeakPolarHBondContact O-CB 3.41Å; K1645-D1649 PolarHBondContact O-N 2.74Å; K1645-M1693 HydrophobicContact CB-CE 4.09Å; K1645-M1693 HydrophobicContact CG-CE 4.18Å
1646V68.7Low69Low59 Ų5955.9 Ų55.936%0.35828%0.282SS..Hα-helixtrans-61.8-38.2179.3179.50000110.6L1438 D1643 A1644 T1650L1438-V1646 HydrophobicContact CD2-CG1 3.52Å; D1643-V1646 WeakPolarHBondContact O-CB 3.45Å; D1643-V1646 PolarHBondContact O-N 3.38Å; A1644-V1646 PolarHBondContact O-N 2.86Å; V1646-T1650 PolarHBondContact O-N 3.48Å; V1646-T1650 PolarHBondContact O-OG1 3.28Å
1647F62.9Low68.3Low30 Ų3051.4 Ų51.413%0.13226%0.264CS..Hα-helixtrans-72.3-43.6178.5-149-118.5000111.6A1644 K1645 D1649 T1650 F1651 M1736 H1738A1644-F1647 PolarHBondContact O-N 2.97Å; K1645-F1647 PolarHBondContact O-N 3.18Å; F1647-D1649 PolarHBondContact O-N 3.22Å; F1647-T1650 VanDerWaalsContact O-CB 3.3Å; F1647-T1650 WeakPolarHBondContact O-CB 3.34Å; F1647-T1650 PolarHBondContact O-N 2.81Å; F1647-F1651 HydrophobicContact CD1-CD2 4.01Å; F1647-F1651 AromaticContact CD1-CE2 3.55Å; F1647-F1651 HydrophobicContact CD1-CE2 3.55Å; F1647-F1651 HydrophobicContact CE1-CD2 4.25Å; F1647-F1651 AromaticContact CE1-CE2 3.36Å; F1647-F1651 HydrophobicContact CE1-CE2 3.36Å; F1647-F1651 HydrophobicContact CE1-CZ 4.14Å; F1647-F1651 HydrophobicContact CG-CE2 4.43Å; F1647-F1651 HydrophobicContact CZ-CE2 4.07Å; F1647-F1651 VanDerWaalsContact O-CD2 3.32Å; F1647-F1651 WeakPolarHBondContact O-CD2 3.21Å; F1647-F1651 PolarHBondContact O-N 3.47Å; F1647-M1736 HydrophobicContact CE2-CE 3.38Å; F1647-M1736 HydrophobicContact CZ-CE 3.47Å; F1647-M1736 VanDerWaalsContact CZ-CE 3.47Å; F1647-H1738 AromaticContact CD1-CE1 3.64Å; F1647-H1738 AromaticContact CD1-NE2 3.64Å; F1647-H1738 AromaticContact CE1-CE1 3.67Å
1648L63.7Low67.5Low25 Ų2551.5 Ų51.513%0.13127%0.265CS..Hα-helixtrans-62.9-37.4175-71.6165.4000113A1644 K1645 T1650 F1651 E1652 L1692 M1693A1644-L1648 WeakPolarHBondContact O-CG 3.49Å; A1644-L1648 PolarHBondContact O-N 3.5Å; K1645-L1648 PolarHBondContact O-N 2.94Å; L1648-T1650 VanDerWaalsContact C-N 3.31Å; L1648-F1651 PolarHBondContact O-N 2.97Å; L1648-E1652 PolarHBondContact O-N 2.73Å; L1648-L1692 HydrophobicContact CD2-CB 4.09Å; L1648-L1692 HydrophobicContact CD2-CD1 3.51Å; L1648-L1692 HydrophobicContact CD2-CG 4.42Å; L1648-M1693 HydrophobicContact CD1-CE 3.51Å; L1648-M1693 HydrophobicContact CD1-CG 4.16Å
1649D65.2Low66.7Low67 Ų6748.8 Ų48.836%0.35826%0.261SS..Hα-helixtrans-66.8-34.3175.5-67.8-11.5000111.2K1645 F1647 E1652 A1653K1645-D1649 WeakPolarHBondContact O-CB 3.41Å; K1645-D1649 PolarHBondContact O-N 2.74Å; F1647-D1649 PolarHBondContact O-N 3.22Å; D1649-E1652 VanDerWaalsContact O-CB 3.31Å; D1649-E1652 WeakPolarHBondContact O-CB 3.47Å; D1649-E1652 PolarHBondContact O-N 3.2Å; D1649-A1653 PolarHBondContact O-N 2.94Å
1650T59.6Low66.3Low12 Ų1246.1 Ų46.17%0.07426%0.257CS..Hα-helixtrans-65.6-46.1173.1-51.70000110.5L1438 F1439 V1646 F1647 L1648 E1652 A1653 F1654L1438-T1650 HydrophobicContact CD1-CG2 3.77Å; L1438-T1650 WeakPolarHBondContact CD1-OG1 3.42Å; F1439-T1650 HydrophobicContact CE2-CG2 4.12Å; V1646-T1650 PolarHBondContact O-N 3.48Å; V1646-T1650 PolarHBondContact O-OG1 3.28Å; F1647-T1650 VanDerWaalsContact O-CB 3.3Å; F1647-T1650 WeakPolarHBondContact O-CB 3.34Å; F1647-T1650 PolarHBondContact O-N 2.81Å; L1648-T1650 VanDerWaalsContact C-N 3.31Å; T1650-E1652 VanDerWaalsContact C-N 3.27Å; T1650-E1652 PolarHBondContact O-N 3.01Å; T1650-A1653 WeakPolarHBondContact O-CB 3.17Å; T1650-A1653 PolarHBondContact O-N 2.87Å; T1650-F1654 PolarHBondContact O-N 2.78Å
1651F59.7Low66.2Low47 Ų4744 Ų4421%0.20625%0.248CC..Hα-helixtrans-62.8-32.8174.9-85.1-66.9000112.5F1647 L1648 A1653 F1654 L1655 M1804F1647-F1651 HydrophobicContact CD1-CD2 4.01Å; F1647-F1651 AromaticContact CD1-CE2 3.55Å; F1647-F1651 HydrophobicContact CD1-CE2 3.55Å; F1647-F1651 HydrophobicContact CE1-CD2 4.25Å; F1647-F1651 AromaticContact CE1-CE2 3.36Å; F1647-F1651 HydrophobicContact CE1-CE2 3.36Å; F1647-F1651 HydrophobicContact CE1-CZ 4.14Å; F1647-F1651 HydrophobicContact CG-CE2 4.43Å; F1647-F1651 HydrophobicContact CZ-CE2 4.07Å; F1647-F1651 VanDerWaalsContact O-CD2 3.32Å; F1647-F1651 WeakPolarHBondContact O-CD2 3.21Å; F1647-F1651 PolarHBondContact O-N 3.47Å; L1648-F1651 PolarHBondContact O-N 2.97Å; F1651-A1653 VanDerWaalsContact C-N 3.33Å; F1651-A1653 PolarHBondContact O-N 2.8Å; F1651-F1654 CarbonylContact O-C 3.55Å; F1651-F1654 WeakPolarHBondContact O-CB 3.42Å; F1651-F1654 PolarHBondContact O-N 3.12Å; F1651-F1654 VanDerWaalsContact O-N 3.17Å; F1651-L1655 WeakPolarHBondContact O-CB 3.38Å; F1651-L1655 VanDerWaalsContact O-CG 3.31Å; F1651-L1655 WeakPolarHBondContact O-CG 3.26Å; F1651-L1655 PolarHBondContact O-N 3.18Å; F1651-M1804 HydrophobicContact CD1-CE 3.3Å; F1651-M1804 HydrophobicContact CE1-CE 3.29Å; F1651-M1804 HydrophobicContact CE2-CE 4.49Å; F1651-M1804 HydrophobicContact CG-CE 3.98Å; F1651-M1804 HydrophobicContact CZ-CE 3.94Å
1652E56.7Low66.1Low90 Ų9043.5 Ų43.542%0.42125%0.246SC..Hα-helixtrans-58.5-44.2172.9-163.8171.2175.800112.8L1648 D1649 T1650 F1654 L1655 S1656 K1688L1648-E1652 PolarHBondContact O-N 2.73Å; D1649-E1652 VanDerWaalsContact O-CB 3.31Å; D1649-E1652 WeakPolarHBondContact O-CB 3.47Å; D1649-E1652 PolarHBondContact O-N 3.2Å; T1650-E1652 VanDerWaalsContact C-N 3.27Å; T1650-E1652 PolarHBondContact O-N 3.01Å; E1652-F1654 PolarHBondContact O-N 3.42Å; E1652-L1655 PolarHBondContact O-N 3.46Å; E1652-S1656 PolarHBondContact O-N 3.49Å; E1652-S1656 VanDerWaalsContact O-N 3.07Å; E1652-S1656 PolarHBondContact O-OG 3.39Å; E1652-K1688 IonicContact OE1-NZ 3.91Å; E1652-K1688 IonicContact OE2-NZ 3.42Å; E1652-K1688 PolarHBondContact OE2-NZ 2.99Å
1653A60.9Low66.3Low15 Ų1546.1 Ų46.112%0.12426%0.255CS..Hα-helixtrans-61.6-36.8177.700000111.1M1431 K1434 D1649 T1650 F1651M1431-A1653 HydrophobicContact CG-CB 4.43Å; K1434-A1653 HydrophobicContact CD-CB 3.8Å; D1649-A1653 PolarHBondContact O-N 2.94Å; T1650-A1653 WeakPolarHBondContact O-CB 3.17Å; T1650-A1653 PolarHBondContact O-N 2.87Å; F1651-A1653 VanDerWaalsContact C-N 3.33Å; F1651-A1653 PolarHBondContact O-N 2.8Å
1654F58.6Low66.4Low38 Ų3846.3 Ų46.317%0.16726%0.256CS..Hα-helixtrans-71.2-41.5172.4-93.9-89.6000113.4L1427 M1431 F1435 T1650 F1651 E1652 S1656 S1657 F1808L1427-F1654 HydrophobicContact CD1-CE1 4.15Å; L1427-F1654 HydrophobicContact CD1-CE2 4.13Å; L1427-F1654 HydrophobicContact CD1-CZ 3.45Å; L1427-F1654 VanDerWaalsContact CD1-CZ 3.45Å; L1427-F1654 HydrophobicContact CD2-CD1 4.17Å; L1427-F1654 HydrophobicContact CD2-CE1 3.19Å; L1427-F1654 HydrophobicContact CD2-CZ 3.44Å; L1427-F1654 VanDerWaalsContact CD2-CZ 3.44Å; L1427-F1654 HydrophobicContact CG-CE1 4.31Å; L1427-F1654 HydrophobicContact CG-CZ 4.09Å; M1431-F1654 HydrophobicContact SD-CB 4.31Å; M1431-F1654 HydrophobicContact SD-CD1 3.84Å; M1431-F1654 HydrophobicContact SD-CD2 4.04Å; M1431-F1654 HydrophobicContact SD-CE1 4.21Å; M1431-F1654 HydrophobicContact SD-CE2 4.35Å; M1431-F1654 HydrophobicContact SD-CG 3.78Å; M1431-F1654 HydrophobicContact SD-CZ 4.44Å; F1435-F1654 AromaticContact CD2-CE2 3.99Å; F1435-F1654 HydrophobicContact CD2-CE2 3.99Å; F1435-F1654 HydrophobicContact CD2-CZ 4.13Å; F1435-F1654 HydrophobicContact CE2-CE2 4.41Å; F1435-F1654 HydrophobicContact CE2-CZ 4.27Å; T1650-F1654 PolarHBondContact O-N 2.78Å; F1651-F1654 CarbonylContact O-C 3.55Å; F1651-F1654 WeakPolarHBondContact O-CB 3.42Å; F1651-F1654 PolarHBondContact O-N 3.12Å; F1651-F1654 VanDerWaalsContact O-N 3.17Å; E1652-F1654 PolarHBondContact O-N 3.42Å; F1654-S1656 PolarHBondContact O-N 3.29Å; F1654-S1657 PolarHBondContact O-N 3.22Å; F1654-S1657 VanDerWaalsContact O-N 3.16Å; F1654-S1657 PolarHBondContact O-OG 3.18Å; F1654-F1808 HydrophobicContact CB-CZ 3.99Å; F1654-F1808 AromaticContact CD1-CE1 3.8Å; F1654-F1808 HydrophobicContact CD1-CE1 3.8Å; F1654-F1808 AromaticContact CD1-CZ 3.94Å; F1654-F1808 HydrophobicContact CD1-CZ 3.94Å; F1654-F1808 HydrophobicContact CG-CZ 4.43Å
1655L56.1Low67Low28 Ų2846 Ų4615%0.14725%0.254CS..Hα-helixtrans-68.5-21.9-177.6-71.9174.8000112.4F1651 E1652 S1657 V1658 L1685F1651-L1655 WeakPolarHBondContact O-CB 3.38Å; F1651-L1655 VanDerWaalsContact O-CG 3.31Å; F1651-L1655 WeakPolarHBondContact O-CG 3.26Å; F1651-L1655 PolarHBondContact O-N 3.18Å; E1652-L1655 PolarHBondContact O-N 3.46Å; L1655-S1657 PolarHBondContact O-N 3.47Å; L1655-V1658 HydrophobicContact CB-CG2 3.74Å; L1655-V1658 HydrophobicContact CD2-CG2 3.21Å; L1655-V1658 HydrophobicContact CG-CG2 4.04Å; L1655-V1658 VanDerWaalsContact O-CB 3.26Å; L1655-V1658 WeakPolarHBondContact O-CB 3.28Å; L1655-V1658 WeakPolarHBondContact O-CG2 3.31Å; L1655-V1658 PolarHBondContact O-N 2.85Å; L1655-L1685 HydrophobicContact CD2-CD1 4.17Å
1656S61.2Low67.6Low103 Ų10341.8 Ų41.872%0.7224%0.238SC*.THydrogen-bonded Turntrans-56.8-23.1173.3-54.20000112.9E1652 F1654E1652-S1656 PolarHBondContact O-N 3.49Å; E1652-S1656 VanDerWaalsContact O-N 3.07Å; E1652-S1656 PolarHBondContact O-OG 3.39Å; F1654-S1656 PolarHBondContact O-N 3.29Å
1657S62.8Low68.3Low23 Ų2345.5 Ų45.516%0.16125%0.249CC..THydrogen-bonded Turntrans-98.50.6175.672.70000114.8F1654 L1655 G1659 T1660 D1661F1654-S1657 PolarHBondContact O-N 3.22Å; F1654-S1657 VanDerWaalsContact O-N 3.16Å; F1654-S1657 PolarHBondContact O-OG 3.18Å; L1655-S1657 PolarHBondContact O-N 3.47Å; S1657-G1659 VanDerWaalsContact C-N 3.34Å; S1657-G1659 PolarHBondContact O-N 3.44Å; S1657-T1660 PolarHBondContact O-N 3.24Å; S1657-D1661 VanDerWaalsContact CB-OD2 3.31Å; S1657-D1661 WeakPolarHBondContact CB-OD2 3.31Å; S1657-D1661 PolarHBondContact O-N 3.26Å; S1657-D1661 VanDerWaalsContact O-N 3.11Å; S1657-D1661 PolarHBondContact OG-OD2 2.81Å
1658V64.1Low69.2Low8 Ų849 Ų495%0.04826%0.264CS..Hα-helixtrans-49-50.2-170.8167.60000112.9L1655 T1660 D1661 L1662 C1682 L1685 T1807L1655-V1658 HydrophobicContact CB-CG2 3.74Å; L1655-V1658 HydrophobicContact CD2-CG2 3.21Å; L1655-V1658 HydrophobicContact CG-CG2 4.04Å; L1655-V1658 VanDerWaalsContact O-CB 3.26Å; L1655-V1658 WeakPolarHBondContact O-CB 3.28Å; L1655-V1658 WeakPolarHBondContact O-CG2 3.31Å; L1655-V1658 PolarHBondContact O-N 2.85Å; V1658-T1660 PolarHBondContact O-N 3.25Å; V1658-D1661 PolarHBondContact O-N 3.3Å; V1658-L1662 WeakPolarHBondContact O-CB 3.38Å; V1658-L1662 PolarHBondContact O-N 3.18Å; V1658-C1682 VanDerWaalsContact CG1-SG 3.58Å; V1658-L1685 HydrophobicContact CG1-CD1 4.23Å; V1658-T1807 HydrophobicContact CB-CG2 3.82Å; V1658-T1807 HydrophobicContact CG1-CG2 3.65Å; V1658-T1807 HydrophobicContact CG2-CG2 3.59Å
1659G67.6Low70.2Confident27 Ų2748.2 Ų48.228%0.27826%0.259SS..Hα-helixtrans-59.6-48.7-173.600000111.7S1657 E1663S1657-G1659 VanDerWaalsContact C-N 3.34Å; S1657-G1659 PolarHBondContact O-N 3.44Å; G1659-E1663 WeakPolarHBondContact O-CB 3.49Å; G1659-E1663 WeakPolarHBondContact O-CG 3.43Å; G1659-E1663 PolarHBondContact O-N 3.2Å
1660T72.2Confident70.9Confident91 Ų9148.3 Ų48.356%0.55827%0.265SS*.Hα-helixtrans-68.7-43.6-177.3-38.50000112.1S1657 V1658 N1664S1657-T1660 PolarHBondContact O-N 3.24Å; V1658-T1660 PolarHBondContact O-N 3.25Å; T1660-N1664 WeakPolarHBondContact O-CB 3.32Å; T1660-N1664 PolarHBondContact O-N 3.17Å; T1660-N1664 PolarHBondContact O-ND2 3.02Å
1661D73.4Confident71.9Confident34 Ų3453.5 Ų53.518%0.18230%0.297CS..Hα-helixtrans-70.8-37.7-178.7-72.1-36.5000112.2S1657 V1658 N1664 S1665 Q1811S1657-D1661 VanDerWaalsContact CB-OD2 3.31Å; S1657-D1661 WeakPolarHBondContact CB-OD2 3.31Å; S1657-D1661 PolarHBondContact O-N 3.26Å; S1657-D1661 VanDerWaalsContact O-N 3.11Å; S1657-D1661 PolarHBondContact OG-OD2 2.81Å; V1658-D1661 PolarHBondContact O-N 3.3Å; D1661-N1664 PolarHBondContact O-N 3.42Å; D1661-S1665 PolarHBondContact O-N 3.13Å; D1661-S1665 PolarHBondContact O-OG 3Å; D1661-Q1811 PolarHBondContact OD1-NE2 2.81Å
1662L79.3Confident72.9Confident0 Ų054.9 Ų54.90%030%0.304CS..Hα-helixtrans-66.2-45.9174.4179.853.9000111.1V1658 N1664 S1665 V1666 V1676 V1678 V1681 V1806V1658-L1662 WeakPolarHBondContact O-CB 3.38Å; V1658-L1662 PolarHBondContact O-N 3.18Å; L1662-N1664 VanDerWaalsContact C-N 3.28Å; L1662-N1664 PolarHBondContact O-N 2.94Å; L1662-S1665 PolarHBondContact O-N 3.26Å; L1662-S1665 VanDerWaalsContact O-N 3.13Å; L1662-V1666 HydrophobicContact CD1-CG2 4.12Å; L1662-V1666 WeakPolarHBondContact O-CG2 3.43Å; L1662-V1666 PolarHBondContact O-N 3.11Å; L1662-V1676 HydrophobicContact CD1-CG1 4.11Å; L1662-V1676 HydrophobicContact CD2-CG1 4.35Å; L1662-V1678 HydrophobicContact CB-CG1 4.49Å; L1662-V1678 HydrophobicContact CD2-CB 4.3Å; L1662-V1678 HydrophobicContact CD2-CG1 3.99Å; L1662-V1678 HydrophobicContact CD2-CG2 4.35Å; L1662-V1678 HydrophobicContact CG-CG1 4.19Å; L1662-V1678 HydrophobicContact CG-CG2 4.16Å; L1662-V1681 HydrophobicContact CD2-CB 3.83Å; L1662-V1681 HydrophobicContact CD2-CG1 3.68Å; L1662-V1681 HydrophobicContact CD2-CG2 4.36Å; L1662-V1806 HydrophobicContact CD1-CG1 3.73Å; L1662-V1806 WeakPolarHBondContact CD1-O 3.37Å
1663E81.7Confident74.2Confident87 Ų8750.6 Ų50.641%0.40728%0.284SS..Hα-helixtrans-57.1-42.8174.3-83.4-172.1-156.100112.2G1659 S1665 V1666 K1667 V1678G1659-E1663 WeakPolarHBondContact O-CB 3.49Å; G1659-E1663 WeakPolarHBondContact O-CG 3.43Å; G1659-E1663 PolarHBondContact O-N 3.2Å; E1663-S1665 VanDerWaalsContact C-N 3.31Å; E1663-S1665 PolarHBondContact O-N 3.16Å; E1663-V1666 PolarHBondContact O-N 3.02Å; E1663-K1667 WeakPolarHBondContact O-CB 3.15Å; E1663-K1667 VanDerWaalsContact O-CG 3.26Å; E1663-K1667 WeakPolarHBondContact O-CG 3.18Å; E1663-K1667 PolarHBondContact O-N 3.22Å; E1663-K1667 IonicContact OE2-NZ 3.96Å; E1663-K1667 PolarHBondContact OE2-NZ 3.2Å; E1663-K1667 VanDerWaalsContact OE2-NZ 3.08Å; E1663-V1678 HydrophobicContact CG-CG1 4.08Å; E1663-V1678 HydrophobicContact CG-CG2 4.44Å
1664N79.8Confident75.3Confident66 Ų6658.6 Ų58.635%0.35332%0.316SS..Hα-helixtrans-63.8-39.3177.8-72.9-30.5000111.6T1660 D1661 L1662 K1668T1660-N1664 WeakPolarHBondContact O-CB 3.32Å; T1660-N1664 PolarHBondContact O-N 3.17Å; T1660-N1664 PolarHBondContact O-ND2 3.02Å; D1661-N1664 PolarHBondContact O-N 3.42Å; L1662-N1664 VanDerWaalsContact C-N 3.28Å; L1662-N1664 PolarHBondContact O-N 2.94Å; N1664-K1668 WeakPolarHBondContact O-CB 3.49Å; N1664-K1668 PolarHBondContact O-N 2.68Å
1665S81.9Confident76.4Confident0 Ų059.3 Ų59.30%033%0.325CS..Hα-helixtrans-67.2-44.4177.1-56.70000111.8D1661 L1662 E1663 K1668 Y1669 S1809 K1810D1661-S1665 PolarHBondContact O-N 3.13Å; D1661-S1665 PolarHBondContact O-OG 3Å; L1662-S1665 PolarHBondContact O-N 3.26Å; L1662-S1665 VanDerWaalsContact O-N 3.13Å; E1663-S1665 VanDerWaalsContact C-N 3.31Å; E1663-S1665 PolarHBondContact O-N 3.16Å; S1665-K1668 PolarHBondContact O-N 2.77Å; S1665-Y1669 WeakPolarHBondContact O-CD2 3.26Å; S1665-Y1669 PolarHBondContact O-N 2.88Å; S1665-S1809 WeakPolarHBondContact CB-OG 3.39Å; S1665-S1809 PolarHBondContact OG-OG 2.91Å; S1665-K1810 WeakPolarHBondContact OG-CB 3.3Å; S1665-K1810 PolarHBondContact OG-N 3.41Å; S1665-K1810 VanDerWaalsContact OG-N 3.08Å
1666V83.5Confident77.8Confident28 Ų2858.5 Ų58.517%0.1732%0.322CS..Hα-helixtrans-63.5-41175.6174.40000111.2L1662 E1663 Y1669 S1670 L1673 V1676 V1678L1662-V1666 HydrophobicContact CD1-CG2 4.12Å; L1662-V1666 WeakPolarHBondContact O-CG2 3.43Å; L1662-V1666 PolarHBondContact O-N 3.11Å; E1663-V1666 PolarHBondContact O-N 3.02Å; V1666-Y1669 CarbonylContact O-C 3.47Å; V1666-S1670 WeakPolarHBondContact O-CA 3.33Å; V1666-S1670 PolarHBondContact O-N 3.11Å; V1666-S1670 VanDerWaalsContact O-N 3.11Å; V1666-L1673 HydrophobicContact CG2-CB 4.19Å; V1666-V1676 HydrophobicContact CG2-CB 4.1Å; V1666-V1676 HydrophobicContact CG2-CG1 4.33Å; V1666-V1678 HydrophobicContact CG2-CG2 4.28Å
1667K83.5Confident79.1Confident137 Ų13756.4 Ų56.460%0.59630%0.302SS*.Hα-helixtrans-63.5-45.5175.5-77167.8-176.9155.70111.7E1663E1663-K1667 WeakPolarHBondContact O-CB 3.15Å; E1663-K1667 VanDerWaalsContact O-CG 3.26Å; E1663-K1667 WeakPolarHBondContact O-CG 3.18Å; E1663-K1667 PolarHBondContact O-N 3.22Å; E1663-K1667 IonicContact OE2-NZ 3.96Å; E1663-K1667 PolarHBondContact OE2-NZ 3.2Å; E1663-K1667 VanDerWaalsContact OE2-NZ 3.08Å
1668K81.9Confident80.1Confident102 Ų10256.8 Ų56.844%0.44330%0.304SS..Hα-helixtrans-67.8-44.8-178.7-171.8178-179.1-162.10112.2N1664 S1665 K1810 E1814N1664-K1668 WeakPolarHBondContact O-CB 3.49Å; N1664-K1668 PolarHBondContact O-N 2.68Å; S1665-K1668 PolarHBondContact O-N 2.77Å; K1668-K1810 HydrophobicContact CD-CD 4.48Å; K1668-K1810 HydrophobicContact CD-CG 4.26Å; K1668-E1814 IonicContact NZ-OE1 2.85Å; K1668-E1814 PolarHBondContact NZ-OE1 3.16Å
1669Y83.8Confident81Confident9 Ų964.1 Ų64.14%0.03534%0.337CS..THydrogen-bonded Turntrans-111.346.4-176.5-49.5-66.7000112.2S1665 V1666 T1671 H1672 L1673 K1810 I1813 E1824 L1828S1665-Y1669 WeakPolarHBondContact O-CD2 3.26Å; S1665-Y1669 PolarHBondContact O-N 2.88Å; V1666-Y1669 CarbonylContact O-C 3.47Å; Y1669-T1671 PolarHBondContact O-N 3.08Å; Y1669-T1671 VanDerWaalsContact O-N 3.08Å; Y1669-H1672 PolarHBondContact O-N 3.47Å; Y1669-L1673 HydrophobicContact CD2-CD1 4.38Å; Y1669-L1673 PolarHBondContact O-N 2.75Å; Y1669-K1810 HydrophobicContact CE2-CB 4.42Å; Y1669-I1813 HydrophobicContact CD2-CD1 3.98Å; Y1669-I1813 HydrophobicContact CE1-CD1 4.48Å; Y1669-I1813 HydrophobicContact CE1-CG2 4.4Å; Y1669-I1813 HydrophobicContact CE2-CB 4.42Å; Y1669-I1813 HydrophobicContact CE2-CD1 3.58Å; Y1669-I1813 VanDerWaalsContact OH-CG2 3.27Å; Y1669-I1813 WeakPolarHBondContact OH-CG2 3.49Å; Y1669-E1824 WeakPolarHBondContact CE1-OE1 3.38Å; Y1669-L1828 HydrophobicContact CD1-CD1 3.87Å; Y1669-L1828 HydrophobicContact CD1-CD2 4.21Å; Y1669-L1828 HydrophobicContact CD2-CD2 3.89Å; Y1669-L1828 HydrophobicContact CE1-CD1 4.5Å; Y1669-L1828 HydrophobicContact CG-CD1 4.13Å; Y1669-L1828 HydrophobicContact CG-CD2 3.66Å
1670S81.4Confident81.8Confident69 Ų6966.6 Ų66.648%0.48334%0.34SS..Hα-helixtrans-56.6-27.8-173.3600000114.2V1666 K1674V1666-S1670 WeakPolarHBondContact O-CA 3.33Å; V1666-S1670 PolarHBondContact O-N 3.11Å; V1666-S1670 VanDerWaalsContact O-N 3.11Å; S1670-K1674 VanDerWaalsContact O-CB 3.31Å; S1670-K1674 WeakPolarHBondContact O-CB 3.39Å; S1670-K1674 PolarHBondContact O-N 3.35Å
1671T80.5Confident82.4Confident122 Ų12262.2 Ų62.275%0.74831%0.314SS*.Hα-helixtrans-65.2-40.8175.433.50000113.3Y1669Y1669-T1671 PolarHBondContact O-N 3.08Å; Y1669-T1671 VanDerWaalsContact O-N 3.08Å
1672H79.8Confident82.8Confident76 Ų7662.6 Ų62.635%0.35232%0.318SS..Hα-helixtrans-95.5-37.5-174-65.279.7000112.2Y1669 L1828Y1669-H1672 PolarHBondContact O-N 3.47Å; H1672-L1828 HydrophobicContact CB-CB 3.98Å; H1672-L1828 HydrophobicContact CB-CD1 4.41Å; H1672-L1828 HydrophobicContact CB-CD2 4.21Å; H1672-L1828 HydrophobicContact CB-CG 4.44Å
1673L85Confident82.9Confident0 Ų066.9 Ų66.90%035%0.348CS..Hα-helixtrans-96.59.9-174.5-58.1-178.2000113.8V1666 Y1669 C1675 V1676 L1828 I1831V1666-L1673 HydrophobicContact CG2-CB 4.19Å; Y1669-L1673 HydrophobicContact CD2-CD1 4.38Å; Y1669-L1673 PolarHBondContact O-N 2.75Å; L1673-C1675 PolarHBondContact O-N 2.82Å; L1673-V1676 HydrophobicContact CB-CG2 4.11Å; L1673-V1676 HydrophobicContact CD2-CG2 4.23Å; L1673-V1676 WeakPolarHBondContact O-CB 3.4Å; L1673-V1676 WeakPolarHBondContact O-CG2 3.48Å; L1673-V1676 PolarHBondContact O-N 2.96Å; L1673-L1828 HydrophobicContact CD1-CD2 4.46Å; L1673-L1828 HydrophobicContact CG-CD2 4.33Å; L1673-I1831 HydrophobicContact CD2-CB 4.5Å; L1673-I1831 HydrophobicContact CD2-CG2 3.71Å
1674K82.6Confident82.9Confident182 Ų18264 Ų6479%0.79134%0.337SS*.THydrogen-bonded Turntrans-54.2-28.8176.9-165.2173.1175.9-1790114S1670 V1676S1670-K1674 VanDerWaalsContact O-CB 3.31Å; S1670-K1674 WeakPolarHBondContact O-CB 3.39Å; S1670-K1674 PolarHBondContact O-N 3.35Å; K1674-V1676 PolarHBondContact O-N 3.32Å
1675C82.1Confident82.8Confident53 Ų5361.1 Ų61.136%0.35832%0.321SS..THydrogen-bonded Turntrans-73.4-15.3-179.960.10000113.5L1673 D1677 Y1835L1673-C1675 PolarHBondContact O-N 2.82Å; C1675-D1677 PolarHBondContact O-N 2.8Å; C1675-Y1835 HydrophobicContact CB-CD1 4.41Å; C1675-Y1835 HydrophobicContact CB-CE1 4.34Å; C1675-Y1835 WeakPolarHBondContact O-CE1 3.45Å; C1675-Y1835 PolarHBondContact O-OH 3.04Å
1676V86.7Confident82.3Confident12 Ų1264 Ų647%0.07335%0.351CS..  trans-77.8114.4-172.4-177.20000111.8L1662 V1666 L1673 K1674 V1678 V1681 V1806 Y1835L1662-V1676 HydrophobicContact CD1-CG1 4.11Å; L1662-V1676 HydrophobicContact CD2-CG1 4.35Å; V1666-V1676 HydrophobicContact CG2-CB 4.1Å; V1666-V1676 HydrophobicContact CG2-CG1 4.33Å; L1673-V1676 HydrophobicContact CB-CG2 4.11Å; L1673-V1676 HydrophobicContact CD2-CG2 4.23Å; L1673-V1676 WeakPolarHBondContact O-CB 3.4Å; L1673-V1676 WeakPolarHBondContact O-CG2 3.48Å; L1673-V1676 PolarHBondContact O-N 2.96Å; K1674-V1676 PolarHBondContact O-N 3.32Å; V1676-V1678 PolarHBondContact O-N 2.71Å; V1676-V1681 HydrophobicContact CG1-CG2 4.1Å; V1676-V1806 HydrophobicContact CB-CG1 4.49Å; V1676-V1806 HydrophobicContact CG1-CG1 3.77Å; V1676-V1806 HydrophobicContact CG2-CG1 3.86Å; V1676-Y1835 HydrophobicContact CB-CD2 4.27Å; V1676-Y1835 HydrophobicContact CB-CE2 4.27Å; V1676-Y1835 HydrophobicContact CB-CG 4.42Å; V1676-Y1835 HydrophobicContact CG1-CD2 3.91Å; V1676-Y1835 HydrophobicContact CG1-CE2 3.87Å; V1676-Y1835 HydrophobicContact CG2-CD1 4.03Å; V1676-Y1835 HydrophobicContact CG2-CD2 3.99Å; V1676-Y1835 HydrophobicContact CG2-CE2 4.45Å; V1676-Y1835 HydrophobicContact CG2-CG 3.76Å
1677D87.6Confident81.5Confident58 Ų5867.3 Ų67.331%0.3137%0.368SS..  trans-81.3100.6167.6-171.4-36.7000110.4C1675 E1679 K1680 V1681 Y1835C1675-D1677 PolarHBondContact O-N 2.8Å; D1677-E1679 VanDerWaalsContact C-N 3.34Å; D1677-E1679 PolarHBondContact O-N 2.74Å; D1677-E1679 PolarHBondContact OD1-N 3.12Å; D1677-K1680 HydrophobicContact CB-CB 4.19Å; D1677-K1680 HydrophobicContact CB-CD 4.05Å; D1677-K1680 HydrophobicContact CB-CG 4.32Å; D1677-K1680 PolarHBondContact O-N 3.45Å; D1677-K1680 PolarHBondContact OD1-N 3.44Å; D1677-K1680 VanDerWaalsContact OD1-N 3.14Å; D1677-K1680 WeakPolarHBondContact OD2-CD 3.24Å; D1677-K1680 WeakPolarHBondContact OD2-CE 2.92Å; D1677-K1680 WeakPolarHBondContact OD2-CG 3.31Å; D1677-V1681 VanDerWaalsContact O-CG2 3.23Å; D1677-V1681 WeakPolarHBondContact O-CG2 3.3Å; D1677-V1681 PolarHBondContact O-N 3.11Å; D1677-V1681 VanDerWaalsContact O-N 3.13Å; D1677-Y1835 WeakPolarHBondContact CB-OH 3.49Å; D1677-Y1835 PolarHBondContact N-OH 2.57Å
1678V83.8Confident80.4Confident32 Ų3261.7 Ų61.719%0.19434%0.343CS..Hα-helixtrans-58.5-43.5-176.5-179.50000111.9L1662 E1663 V1666 V1676 K1680 V1681 C1682L1662-V1678 HydrophobicContact CB-CG1 4.49Å; L1662-V1678 HydrophobicContact CD2-CB 4.3Å; L1662-V1678 HydrophobicContact CD2-CG1 3.99Å; L1662-V1678 HydrophobicContact CD2-CG2 4.35Å; L1662-V1678 HydrophobicContact CG-CG1 4.19Å; L1662-V1678 HydrophobicContact CG-CG2 4.16Å; E1663-V1678 HydrophobicContact CG-CG1 4.08Å; E1663-V1678 HydrophobicContact CG-CG2 4.44Å; V1666-V1678 HydrophobicContact CG2-CG2 4.28Å; V1676-V1678 PolarHBondContact O-N 2.71Å; V1678-K1680 PolarHBondContact O-N 2.99Å; V1678-V1681 PolarHBondContact O-N 2.95Å; V1678-C1682 WeakPolarHBondContact O-CB 3.04Å; V1678-C1682 PolarHBondContact O-N 3.21Å; V1678-C1682 PolarHBondContact O-SG 3.34Å
1679E83.7Confident79.3Confident161 Ų16161.8 Ų61.875%0.75235%0.349SS*.Hα-helixtrans-65.5-44.3-174.4-171.8177.6179.300110.9D1677 C1682 S1683D1677-E1679 VanDerWaalsContact C-N 3.34Å; D1677-E1679 PolarHBondContact O-N 2.74Å; D1677-E1679 PolarHBondContact OD1-N 3.12Å; E1679-C1682 PolarHBondContact O-N 3.13Å; E1679-S1683 WeakPolarHBondContact O-CB 3.29Å; E1679-S1683 PolarHBondContact O-N 3.3Å
1680K84.6Confident78.1Confident79 Ų7969.2 Ų69.234%0.34338%0.381SS..Hα-helixtrans-67.8-38.1177.8-67179.1173-161.90112.9D1677 V1678 S1683 T1684 F1844D1677-K1680 HydrophobicContact CB-CB 4.19Å; D1677-K1680 HydrophobicContact CB-CD 4.05Å; D1677-K1680 HydrophobicContact CB-CG 4.32Å; D1677-K1680 PolarHBondContact O-N 3.45Å; D1677-K1680 PolarHBondContact OD1-N 3.44Å; D1677-K1680 VanDerWaalsContact OD1-N 3.14Å; D1677-K1680 WeakPolarHBondContact OD2-CD 3.24Å; D1677-K1680 WeakPolarHBondContact OD2-CE 2.92Å; D1677-K1680 WeakPolarHBondContact OD2-CG 3.31Å; V1678-K1680 PolarHBondContact O-N 2.99Å; K1680-S1683 PolarHBondContact O-N 3.42Å; K1680-T1684 WeakPolarHBondContact O-CB 3.15Å; K1680-T1684 PolarHBondContact O-N 3.17Å; K1680-T1684 PolarHBondContact O-OG1 3.37Å; K1680-F1844 HydrophobicContact CB-CD1 4.41Å; K1680-F1844 HydrophobicContact CB-CD2 3.53Å; K1680-F1844 HydrophobicContact CB-CE2 3.64Å; K1680-F1844 HydrophobicContact CB-CG 3.94Å; K1680-F1844 HydrophobicContact CB-CZ 4.16Å; K1680-F1844 HydrophobicContact CD-CB 3.7Å; K1680-F1844 HydrophobicContact CD-CD2 3.47Å; K1680-F1844 VanDerWaalsContact CD-CD2 3.47Å; K1680-F1844 HydrophobicContact CD-CE2 4.35Å; K1680-F1844 HydrophobicContact CD-CG 3.78Å; K1680-F1844 HydrophobicContact CG-CD2 4.14Å; K1680-F1844 HydrophobicContact CG-CG 4.38Å; K1680-F1844 PolarHBondContact NZ-OXT 2.8Å
1681V84.8Confident77.1Confident0 Ų068.3 Ų68.30%037%0.369CS..Hα-helixtrans-62.4-48.5174.7174.70000110.3L1662 V1676 D1677 V1678 S1683 T1684 L1685 L1803 Y1835 F1844L1662-V1681 HydrophobicContact CD2-CB 3.83Å; L1662-V1681 HydrophobicContact CD2-CG1 3.68Å; L1662-V1681 HydrophobicContact CD2-CG2 4.36Å; V1676-V1681 HydrophobicContact CG1-CG2 4.1Å; D1677-V1681 VanDerWaalsContact O-CG2 3.23Å; D1677-V1681 WeakPolarHBondContact O-CG2 3.3Å; D1677-V1681 PolarHBondContact O-N 3.11Å; D1677-V1681 VanDerWaalsContact O-N 3.13Å; V1678-V1681 PolarHBondContact O-N 2.95Å; V1681-S1683 PolarHBondContact O-N 3.4Å; V1681-T1684 PolarHBondContact O-N 3.47Å; V1681-L1685 HydrophobicContact CG1-CD1 3.83Å; V1681-L1685 HydrophobicContact CG1-CG 4.43Å; V1681-L1685 WeakPolarHBondContact O-CB 3.33Å; V1681-L1685 WeakPolarHBondContact O-CG 3.47Å; V1681-L1685 PolarHBondContact O-N 2.94Å; V1681-L1803 HydrophobicContact CG1-CB 4.47Å; V1681-L1803 HydrophobicContact CG2-CD2 4.14Å; V1681-Y1835 HydrophobicContact CG2-CD2 3.99Å; V1681-Y1835 HydrophobicContact CG2-CE2 3.58Å; V1681-F1844 HydrophobicContact CG2-CE2 4.5Å; V1681-F1844 HydrophobicContact CG2-CZ 4.4Å
1682C80.5Confident76.4Confident41 Ų4163.9 Ų63.928%0.27734%0.341SS..Hα-helixtrans-59.5-45.4176.7-70.50000112.2V1658 V1678 E1679 T1684 G1686V1658-C1682 VanDerWaalsContact CG1-SG 3.58Å; V1678-C1682 WeakPolarHBondContact O-CB 3.04Å; V1678-C1682 PolarHBondContact O-N 3.21Å; V1678-C1682 PolarHBondContact O-SG 3.34Å; E1679-C1682 PolarHBondContact O-N 3.13Å; C1682-T1684 PolarHBondContact O-N 2.86Å; C1682-G1686 PolarHBondContact O-N 3.14Å
1683S81.2Confident76.1Confident90 Ų9062.4 Ų62.463%0.62933%0.334SS*.Hα-helixtrans-61.2-43.6178.5-177.10000112.1E1679 K1680 V1681 G1686E1679-S1683 WeakPolarHBondContact O-CB 3.29Å; E1679-S1683 PolarHBondContact O-N 3.3Å; K1680-S1683 PolarHBondContact O-N 3.42Å; V1681-S1683 PolarHBondContact O-N 3.4Å; S1683-G1686 PolarHBondContact O-N 3.13Å
1684T81.4Confident75.6Confident27 Ų2765.7 Ų65.717%0.16635%0.35CS..Hα-helixtrans-68.8-45.3-178.7-54.30000112K1680 V1681 C1682 G1686 N1687 L1803 F1842 F1844K1680-T1684 WeakPolarHBondContact O-CB 3.15Å; K1680-T1684 PolarHBondContact O-N 3.17Å; K1680-T1684 PolarHBondContact O-OG1 3.37Å; V1681-T1684 PolarHBondContact O-N 3.47Å; C1682-T1684 PolarHBondContact O-N 2.86Å; T1684-G1686 PolarHBondContact O-N 3.43Å; T1684-N1687 PolarHBondContact O-N 3.25Å; T1684-L1803 HydrophobicContact CG2-CD1 3.78Å; T1684-F1842 HydrophobicContact CG2-CB 4.4Å; T1684-F1842 HydrophobicContact CG2-CD1 3.82Å; T1684-F1842 HydrophobicContact CG2-CD2 3.81Å; T1684-F1842 HydrophobicContact CG2-CE1 3.96Å; T1684-F1842 HydrophobicContact CG2-CE2 3.94Å; T1684-F1842 HydrophobicContact CG2-CG 3.75Å; T1684-F1842 HydrophobicContact CG2-CZ 4.03Å; T1684-F1844 HydrophobicContact CG2-CE1 4.31Å; T1684-F1844 WeakPolarHBondContact OG1-CE1 3.37Å
1685L78Confident75.5Confident5 Ų557.4 Ų57.43%0.02631%0.314CS..Hα-helixtrans-67.4-18.4176-68.8175.3000112.8L1655 V1658 V1681 N1687 Y1800 L1803 M1804 T1807L1655-L1685 HydrophobicContact CD2-CD1 4.17Å; V1658-L1685 HydrophobicContact CG1-CD1 4.23Å; V1681-L1685 HydrophobicContact CG1-CD1 3.83Å; V1681-L1685 HydrophobicContact CG1-CG 4.43Å; V1681-L1685 WeakPolarHBondContact O-CB 3.33Å; V1681-L1685 WeakPolarHBondContact O-CG 3.47Å; V1681-L1685 PolarHBondContact O-N 2.94Å; L1685-N1687 VanDerWaalsContact C-N 3.31Å; L1685-N1687 PolarHBondContact O-N 2.85Å; L1685-Y1800 HydrophobicContact CD2-CD1 4.09Å; L1685-Y1800 HydrophobicContact CD2-CD2 4.23Å; L1685-Y1800 HydrophobicContact CD2-CE1 3.63Å; L1685-Y1800 HydrophobicContact CD2-CE2 3.81Å; L1685-Y1800 HydrophobicContact CD2-CG 4.37Å; L1685-Y1800 VanDerWaalsContact CD2-CZ 3.49Å; L1685-Y1800 PolarHBondContact O-OH 2.95Å; L1685-L1803 HydrophobicContact CD1-CB 4.37Å; L1685-L1803 HydrophobicContact CD2-CB 3.91Å; L1685-L1803 HydrophobicContact CG-CB 4.22Å; L1685-M1804 HydrophobicContact CD2-CG 3.89Å; L1685-T1807 WeakPolarHBondContact CD1-OG1 3.41Å
1686G71.5Confident75.5Confident60 Ų6059.1 Ų59.162%0.61931%0.313SS*.THydrogen-bonded Turntrans-69.9-21.7175.300000114.5C1682 S1683 T1684 K1688C1682-G1686 PolarHBondContact O-N 3.14Å; S1683-G1686 PolarHBondContact O-N 3.13Å; T1684-G1686 PolarHBondContact O-N 3.43Å; G1686-K1688 VanDerWaalsContact C-N 3.3Å; G1686-K1688 PolarHBondContact O-N 2.96Å
1687N67.7Low75.2Confident98 Ų9865.2 Ų65.252%0.52434%0.338SS..THydrogen-bonded Turntrans-92.630.3-172.8-143-5.8000113.9T1684 L1685 E1691T1684-N1687 PolarHBondContact O-N 3.25Å; L1685-N1687 VanDerWaalsContact C-N 3.31Å; L1685-N1687 PolarHBondContact O-N 2.85Å; N1687-E1691 WeakPolarHBondContact O-CG 3.41Å
1688K59.5Low75.1Confident20 Ų2063.3 Ų63.39%0.08733%0.329CS..Hα-helixtrans-64-43.1-161.472.5-174.6-178.2140.10116.9E1652 G1686 K1690 E1691 L1692 Y1800E1652-K1688 IonicContact OE1-NZ 3.91Å; E1652-K1688 IonicContact OE2-NZ 3.42Å; E1652-K1688 PolarHBondContact OE2-NZ 2.99Å; G1686-K1688 VanDerWaalsContact C-N 3.3Å; G1686-K1688 PolarHBondContact O-N 2.96Å; K1688-K1690 VanDerWaalsContact C-N 3.25Å; K1688-K1690 PolarHBondContact O-N 3.09Å; K1688-E1691 PolarHBondContact O-N 3.27Å; K1688-L1692 PolarHBondContact O-N 3.3Å; K1688-Y1800 VanDerWaalsContact CB-OH 3.25Å; K1688-Y1800 WeakPolarHBondContact CB-OH 3.22Å
1689D58.4Low75.2Confident103 Ų10361.8 Ų61.855%0.55132%0.319SS*.Hα-helixtrans-68.5-30.5-166.1-75.9-15.9000111.4
1690K59.2Low75.2Confident166 Ų16657.1 Ų57.172%0.72230%0.303SS*.Hα-helixtrans-75.5-37.7172.9-89.9-177.4174176.80112.4K1688K1688-K1690 VanDerWaalsContact C-N 3.25Å; K1688-K1690 PolarHBondContact O-N 3.09Å
1691E61.7Low75.4Confident50 Ų5054.2 Ų54.223%0.23429%0.291CS..Hα-helixtrans-82.7-51.4-168.3-66.1-75155.400111.9N1687 K1688 R1796N1687-E1691 WeakPolarHBondContact O-CG 3.41Å; K1688-E1691 PolarHBondContact O-N 3.27Å; E1691-R1796 IonicContact OE1-NH1 2.85Å; E1691-R1796 PolarHBondContact OE1-NH1 2.62Å; E1691-R1796 WeakPolarHBondContact OE2-CD 3.26Å; E1691-R1796 IonicContact OE2-CZ 3.68Å; E1691-R1796 IonicContact OE2-NE 3.1Å; E1691-R1796 IonicContact OE2-NH1 2.6Å; E1691-R1796 PolarHBondContact OE2-NH1 2.7Å
1692L65.5Low75.7Confident28 Ų2854.2 Ų54.215%0.14729%0.291CS..THydrogen-bonded Turntrans-79.1-18.2-174.9-80170.5000114.1L1648 K1688 Y1695 Y1800L1648-L1692 HydrophobicContact CD2-CB 4.09Å; L1648-L1692 HydrophobicContact CD2-CD1 3.51Å; L1648-L1692 HydrophobicContact CD2-CG 4.42Å; K1688-L1692 PolarHBondContact O-N 3.3Å; L1692-Y1695 WeakPolarHBondContact O-CD1 3.27Å; L1692-Y1695 WeakPolarHBondContact O-CE1 3.35Å; L1692-Y1800 HydrophobicContact CD1-CD1 3.87Å; L1692-Y1800 HydrophobicContact CD1-CE1 3.5Å; L1692-Y1800 HydrophobicContact CD2-CD1 4.06Å; L1692-Y1800 HydrophobicContact CD2-CG 4.33Å; L1692-Y1800 HydrophobicContact CG-CD1 4.13Å; L1692-Y1800 HydrophobicContact CG-CE1 4.15Å; L1692-Y1800 HydrophobicContact CG-CG 4.42Å
1693M72.5Confident76Confident45 Ų4552.2 Ų52.222%0.22228%0.278CS..THydrogen-bonded Turntrans-96.3-1.7175.6-68.7-147.7-179.800113.8K1645 L1648 Y1695 R1696K1645-M1693 HydrophobicContact CB-CE 4.09Å; K1645-M1693 HydrophobicContact CG-CE 4.18Å; L1648-M1693 HydrophobicContact CD1-CE 3.51Å; L1648-M1693 HydrophobicContact CD1-CG 4.16Å; M1693-Y1695 PolarHBondContact O-N 3.16Å; M1693-R1696 WeakPolarHBondContact O-CB 3.24Å; M1693-R1696 PolarHBondContact O-N 2.83Å; M1693-R1696 VanDerWaalsContact O-N 3.15Å; M1693-R1696 PolarHBondContact SD-NH1 2.81Å
1694E74.6Confident76.4Confident70 Ų7048 Ų4833%0.32725%0.248SC..G310 helixtrans-63-27.1-176.9-162.1172.1-158.500112.8R1696 K1697E1694-R1696 PolarHBondContact O-N 2.86Å; E1694-R1696 VanDerWaalsContact O-N 3.15Å; E1694-K1697 HydrophobicContact CG-CD 4.17Å; E1694-K1697 WeakPolarHBondContact O-CB 3.42Å; E1694-K1697 PolarHBondContact O-N 3.39Å; E1694-K1697 IonicContact OE1-NZ 3.21Å
1695Y80.3Confident76.7Confident7 Ų746.7 Ų46.73%0.02724%0.24CC..G310 helixtrans-55.7-31.8176.777.4-90000112.9L1692 M1693 K1697 V1698 I1699 D1701 S1741L1692-Y1695 WeakPolarHBondContact O-CD1 3.27Å; L1692-Y1695 WeakPolarHBondContact O-CE1 3.35Å; M1693-Y1695 PolarHBondContact O-N 3.16Å; Y1695-K1697 PolarHBondContact O-N 3.31Å; Y1695-K1697 VanDerWaalsContact O-N 3.09Å; Y1695-V1698 WeakPolarHBondContact O-CA 3.46Å; Y1695-V1698 WeakPolarHBondContact O-CB 3.38Å; Y1695-V1698 PolarHBondContact O-N 2.82Å; Y1695-I1699 PolarHBondContact O-N 3.43Å; Y1695-I1699 VanDerWaalsContact O-O 3.06Å; Y1695-D1701 WeakPolarHBondContact CE2-OD1 3.23Å; Y1695-D1701 VanDerWaalsContact CZ-OD1 3.25Å; Y1695-D1701 PolarHBondContact OH-OD1 3.04Å; Y1695-S1741 WeakPolarHBondContact CB-OG 3.48Å; Y1695-S1741 VanDerWaalsContact CE2-CA 3.49Å; Y1695-S1741 VanDerWaalsContact CG-OG 3.3Å
1696R82.1Confident76.8Confident90 Ų9046.6 Ų46.634%0.3424%0.24SC..G310 helixtrans-60.9-20.8179.6-70.6-177.1164.3172.2-5.3112.4D1643 M1693 E1694 V1698 D1701D1643-R1696 IonicContact OD1-NH2 2.71Å; D1643-R1696 PolarHBondContact OD1-NH2 3.35Å; M1693-R1696 WeakPolarHBondContact O-CB 3.24Å; M1693-R1696 PolarHBondContact O-N 2.83Å; M1693-R1696 VanDerWaalsContact O-N 3.15Å; M1693-R1696 PolarHBondContact SD-NH1 2.81Å; E1694-R1696 PolarHBondContact O-N 2.86Å; E1694-R1696 VanDerWaalsContact O-N 3.15Å; R1696-V1698 VanDerWaalsContact C-N 3.28Å; R1696-D1701 IonicContact CZ-OD1 3.23Å; R1696-D1701 IonicContact CZ-OD2 2.72Å; R1696-D1701 IonicContact NE-OD1 2.86Å; R1696-D1701 PolarHBondContact NE-OD1 3.39Å; R1696-D1701 IonicContact NE-OD2 2.94Å; R1696-D1701 PolarHBondContact NE-OD2 2.94Å; R1696-D1701 IonicContact NH2-OD1 3.62Å; R1696-D1701 IonicContact NH2-OD2 3.26Å; R1696-D1701 PolarHBondContact NH2-OD2 2.86Å
1697K80.3Confident77.3Confident139 Ų13945.9 Ų45.960%0.60422%0.222SC*.G310 helixtrans-80.2-7.7173.7-57177.1-172.6164.30113.6E1694 Y1695 R1789E1694-K1697 HydrophobicContact CG-CD 4.17Å; E1694-K1697 WeakPolarHBondContact O-CB 3.42Å; E1694-K1697 PolarHBondContact O-N 3.39Å; E1694-K1697 IonicContact OE1-NZ 3.21Å; Y1695-K1697 PolarHBondContact O-N 3.31Å; Y1695-K1697 VanDerWaalsContact O-N 3.09Å; K1697-R1789 PolarHBondContact O-NH2 2.91Å
1698V85.3Confident78.2Confident18 Ų1841.3 Ų41.311%0.10920%0.198CC..THydrogen-bonded Turntrans-115.5-56.6-174.3-170.80000110Y1695 R1696 V1785 R1789 A1790 V1793Y1695-V1698 WeakPolarHBondContact O-CA 3.46Å; Y1695-V1698 WeakPolarHBondContact O-CB 3.38Å; Y1695-V1698 PolarHBondContact O-N 2.82Å; R1696-V1698 VanDerWaalsContact C-N 3.28Å; V1698-V1785 HydrophobicContact CG1-CG1 3.56Å; V1698-V1785 WeakPolarHBondContact O-CG2 3.38Å; V1698-R1789 HydrophobicContact CG1-CG 4.26Å; V1698-R1789 HydrophobicContact CG2-CG 4.01Å; V1698-A1790 HydrophobicContact CG1-CB 4.43Å; V1698-V1793 HydrophobicContact CG2-CG2 3.88Å
1699I85.8Confident79.4Confident0 Ų041.4 Ų41.40%020%0.197CC..SBendtrans-132.8137.7177.3-58.7175.3000108.1L1631 Y1695 V1702 F1742 T1781 M1782 V1785L1631-I1699 HydrophobicContact CD1-CG2 4.19Å; L1631-I1699 HydrophobicContact CD2-CG2 4.46Å; Y1695-I1699 PolarHBondContact O-N 3.43Å; Y1695-I1699 VanDerWaalsContact O-O 3.06Å; I1699-V1702 HydrophobicContact CG2-CG1 4.29Å; I1699-F1742 HydrophobicContact CB-CD1 3.75Å; I1699-F1742 HydrophobicContact CB-CE1 4.13Å; I1699-F1742 HydrophobicContact CD1-CD1 3.68Å; I1699-F1742 HydrophobicContact CD1-CD2 4.23Å; I1699-F1742 HydrophobicContact CD1-CE1 3.83Å; I1699-F1742 HydrophobicContact CD1-CE2 4.42Å; I1699-F1742 HydrophobicContact CD1-CG 3.87Å; I1699-F1742 HydrophobicContact CD1-CZ 4.21Å; I1699-F1742 HydrophobicContact CG1-CD1 4.05Å; I1699-F1742 HydrophobicContact CG1-CE1 4.09Å; I1699-F1742 HydrophobicContact CG2-CD1 4.42Å; I1699-T1781 HydrophobicContact CG2-CG2 4.49Å; I1699-M1782 HydrophobicContact CD1-CE 3.9Å; I1699-M1782 HydrophobicContact CD1-SD 3.49Å; I1699-M1782 WeakPolarHBondContact CD1-SD 3.48Å; I1699-M1782 HydrophobicContact CG1-SD 4.08Å; I1699-V1785 HydrophobicContact CG1-CG1 4.4Å; I1699-V1785 HydrophobicContact CG1-CG2 4.15Å
1700P85.3Confident80.5Confident63 Ų6336.5 Ų36.541%0.40917%0.171SC..  trans-57.6163.7172.1-2333.9000113L1631 V1702 T1781L1631-P1700 HydrophobicContact CD2-CB 4.33Å; P1700-V1702 PolarHBondContact O-N 2.89Å; P1700-T1781 HydrophobicContact CG-CG2 4.21Å
1701D88.4Confident81.4Confident18 Ų1829.5 Ų29.510%0.09614%0.144CC..  trans-54.8130.3175.3-69.1-11.1000111.5K1638 Y1695 R1696 Q1739 G1740K1638-D1701 PolarHBondContact NZ-O 2.71Å; Y1695-D1701 WeakPolarHBondContact CE2-OD1 3.23Å; Y1695-D1701 VanDerWaalsContact CZ-OD1 3.25Å; Y1695-D1701 PolarHBondContact OH-OD1 3.04Å; R1696-D1701 IonicContact CZ-OD1 3.23Å; R1696-D1701 IonicContact CZ-OD2 2.72Å; R1696-D1701 IonicContact NE-OD1 2.86Å; R1696-D1701 PolarHBondContact NE-OD1 3.39Å; R1696-D1701 IonicContact NE-OD2 2.94Å; R1696-D1701 PolarHBondContact NE-OD2 2.94Å; R1696-D1701 IonicContact NH2-OD1 3.62Å; R1696-D1701 IonicContact NH2-OD2 3.26Å; R1696-D1701 PolarHBondContact NH2-OD2 2.86Å; D1701-Q1739 HydrophobicContact CB-CB 4.42Å; D1701-G1740 WeakPolarHBondContact CA-O 3.5Å
1702V90.7Very high82.2Confident0 Ų027.2 Ų27.20%013%0.133CC..EExtended strand (participates in β ladder)trans-111.3167.1177.5-59.80000110.8Q1627 S1630 L1631 W1637 I1699 P1700 V1704 G1740 F1742Q1627-V1702 HydrophobicContact CB-CB 4.04Å; Q1627-V1702 HydrophobicContact CB-CG1 4.3Å; Q1627-V1702 HydrophobicContact CB-CG2 4.19Å; Q1627-V1702 HydrophobicContact CG-CB 4.07Å; Q1627-V1702 HydrophobicContact CG-CG2 3.79Å; S1630-V1702 WeakPolarHBondContact OG-CA 3.41Å; S1630-V1702 WeakPolarHBondContact OG-CB 3.21Å; L1631-V1702 HydrophobicContact CD1-CG1 4.19Å; L1631-V1702 HydrophobicContact CD2-CG1 3.83Å; L1631-V1702 HydrophobicContact CG-CG1 3.9Å; W1637-V1702 WeakPolarHBondContact CH2-O 3.05Å; I1699-V1702 HydrophobicContact CG2-CG1 4.29Å; P1700-V1702 PolarHBondContact O-N 2.89Å; V1702-V1704 HydrophobicContact CG2-CG2 4.21Å; V1702-V1704 PolarHBondContact O-N 2.88Å; V1702-G1740 PolarHBondContact N-O 2.79Å; V1702-G1740 PolarHBondContact O-N 3.37Å; V1702-F1742 HydrophobicContact CG1-CB 4.45Å; V1702-F1742 HydrophobicContact CG2-CB 3.99Å
1703F87.6Confident82.9Confident0 Ų025.9 Ų25.90%013%0.126CC..EExtended strand (participates in β ladder)trans-70.4118.2173-171.5-68.8000109.5I1451 M1454 L1626 Q1627 W1629 S1630 W1637 L1641 W1734I1451-F1703 HydrophobicContact CB-CZ 4.41Å; I1451-F1703 HydrophobicContact CD1-CZ 3.85Å; I1451-F1703 HydrophobicContact CG1-CE2 4.17Å; I1451-F1703 HydrophobicContact CG1-CZ 3.76Å; I1451-F1703 HydrophobicContact CG2-CZ 3.76Å; M1454-F1703 HydrophobicContact CE-CD2 3.87Å; M1454-F1703 HydrophobicContact CE-CE2 3.29Å; M1454-F1703 HydrophobicContact CE-CZ 4.11Å; M1454-F1703 HydrophobicContact SD-CE2 4.42Å; L1626-F1703 HydrophobicContact CD1-CD1 4.29Å; L1626-F1703 HydrophobicContact CD2-CD1 3.94Å; L1626-F1703 HydrophobicContact CD2-CE1 4.39Å; L1626-F1703 HydrophobicContact CG-CD1 4.21Å; Q1627-F1703 WeakPolarHBondContact CG-O 3.06Å; W1629-F1703 HydrophobicContact CZ3-CB 4.36Å; W1629-F1703 AromaticContact CZ3-CD2 3.89Å; W1629-F1703 HydrophobicContact CZ3-CD2 3.89Å; W1629-F1703 HydrophobicContact CZ3-CG 4.28Å; S1630-F1703 VanDerWaalsContact CB-CB 3.46Å; S1630-F1703 PolarHBondContact OG-N 3.12Å; W1637-F1703 HydrophobicContact CD2-CD2 4.3Å; W1637-F1703 HydrophobicContact CE3-CB 4.26Å; W1637-F1703 AromaticContact CE3-CD2 3.89Å; W1637-F1703 HydrophobicContact CE3-CD2 3.89Å; W1637-F1703 HydrophobicContact CE3-CG 4.5Å; W1637-F1703 HydrophobicContact CH2-CB 4.34Å; W1637-F1703 VanDerWaalsContact CH2-N 3.3Å; W1637-F1703 HydrophobicContact CZ3-CB 4.12Å; W1637-F1703 HydrophobicContact CZ3-CD2 4.43Å; L1641-F1703 HydrophobicContact CD1-CD2 3.39Å; L1641-F1703 HydrophobicContact CD1-CE2 3.16Å; L1641-F1703 HydrophobicContact CD1-CG 4.19Å; L1641-F1703 HydrophobicContact CD1-CZ 3.81Å; L1641-F1703 HydrophobicContact CG-CE2 4.25Å; F1703-W1734 AromaticContact CE1-CE3 3.95Å; F1703-W1734 HydrophobicContact CE1-CE3 3.95Å; F1703-W1734 AromaticContact CE1-CZ3 3.81Å; F1703-W1734 HydrophobicContact CE1-CZ3 3.81Å; F1703-W1734 HydrophobicContact CZ-CE3 4.43Å
1704V88.2Confident83.2Confident0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-109.2131.5-179.8172.60000109.1V1702 G1706 S1737 H1738 S1741 E1744 D1745V1702-V1704 HydrophobicContact CG2-CG2 4.21Å; V1702-V1704 PolarHBondContact O-N 2.88Å; V1704-G1706 VanDerWaalsContact C-N 3.33Å; V1704-S1737 WeakPolarHBondContact O-CA 3.38Å; V1704-S1737 WeakPolarHBondContact O-CB 3.48Å; V1704-H1738 WeakPolarHBondContact CB-O 3.33Å; V1704-H1738 PolarHBondContact N-O 2.93Å; V1704-H1738 PolarHBondContact O-N 3.27Å; V1704-H1738 VanDerWaalsContact O-N 3.08Å; V1704-S1741 WeakPolarHBondContact CG2-O 3.28Å; V1704-E1744 HydrophobicContact CG1-CB 4.14Å; V1704-E1744 HydrophobicContact CG1-CG 3.81Å; V1704-D1745 WeakPolarHBondContact CA-OD2 3.15Å; V1704-D1745 WeakPolarHBondContact CG1-OD1 3.26Å
1705H87.3Confident83.5Confident1 Ų121.7 Ų21.71%0.00511%0.106CC..  trans-65.6-38.4175.2178-74.9000110.9D1707 F1708 I1732 D1733 W1734 M1736 S1737 D1745H1705-D1707 PolarHBondContact CE1-O 2.55Å; H1705-D1707 PolarHBondContact ND1-N 3.45Å; H1705-D1707 PolarHBondContact ND1-O 2.81Å; H1705-D1707 PolarHBondContact O-N 3.34Å; H1705-D1707 VanDerWaalsContact O-N 3.1Å; H1705-F1708 HydrophobicContact CB-CB 4.25Å; H1705-F1708 HydrophobicContact CB-CD2 4.27Å; H1705-F1708 PolarHBondContact ND1-N 3.38Å; H1705-I1732 PolarHBondContact NE2-O 3.21Å; H1705-D1733 PolarHBondContact CE1-O 2.95Å; H1705-D1733 VanDerWaalsContact CE1-O 3.29Å; H1705-W1734 HydrophobicContact CB-CE3 4.34Å; H1705-W1734 HydrophobicContact CB-CZ3 4.09Å; H1705-W1734 AromaticContact CD2-CD2 3.57Å; H1705-W1734 AromaticContact CD2-CE2 3.88Å; H1705-W1734 AromaticContact CD2-CE3 3.32Å; H1705-W1734 AromaticContact CD2-CH2 3.8Å; H1705-W1734 AromaticContact CD2-CZ3 3.45Å; H1705-W1734 VanDerWaalsContact CD2-CZ3 3.45Å; H1705-W1734 WeakPolarHBondContact CD2-CZ3 3.43Å; H1705-W1734 AromaticContact NE2-CD2 3.92Å; H1705-M1736 CarbonylContact O-C 3.56Å; H1705-S1737 WeakPolarHBondContact O-CA 3.24Å; H1705-S1737 PolarHBondContact O-N 2.79Å; H1705-S1737 PolarHBondContact O-OG 3.27Å; H1705-D1745 PolarHBondContact N-OD1 3.47Å; H1705-D1745 PolarHBondContact N-OD2 3.37Å
1706G81.3Confident83.2Confident2 Ų224.1 Ų24.12%0.02112%0.118CC..SBendtrans84.1-2316900000114.7V1704 D1745 R1748V1704-G1706 VanDerWaalsContact C-N 3.33Å; G1706-D1745 PolarHBondContact N-OD1 3.49Å; G1706-R1748 PolarHBondContact O-NE 3.25Å; G1706-R1748 PolarHBondContact O-NH1 3.14Å
1707D82.1Confident82.7Confident46 Ų4621 Ų2125%0.24611%0.112CC..SBendtrans-12953.2166.7-165.534.1000112.3H1705 W1709 N1712 M1736H1705-D1707 PolarHBondContact CE1-O 2.55Å; H1705-D1707 PolarHBondContact ND1-N 3.45Å; H1705-D1707 PolarHBondContact ND1-O 2.81Å; H1705-D1707 PolarHBondContact O-N 3.34Å; H1705-D1707 VanDerWaalsContact O-N 3.1Å; D1707-W1709 VanDerWaalsContact O-CD1 3.28Å; D1707-W1709 PolarHBondContact O-N 2.82Å; D1707-W1709 PolarHBondContact OD2-NE1 2.85Å; D1707-N1712 PolarHBondContact O-ND2 3.25Å; D1707-N1712 PolarHBondContact OD2-ND2 3.48Å; D1707-M1736 HydrophobicContact CB-CB 4.05Å; D1707-M1736 HydrophobicContact CB-CG 3.96Å
1708F85.9Confident82Confident1 Ų117.3 Ų17.30%0.00410%0.099CC..  trans-85.899.5-176.3-162.3-106.4000111.9C1619 L1623 H1705 I1713 I1731 D1745 L1749C1619-F1708 HydrophobicContact CB-CE1 4.08Å; C1619-F1708 HydrophobicContact CB-CZ 4.26Å; L1623-F1708 HydrophobicContact CD1-CD1 3.83Å; L1623-F1708 HydrophobicContact CD1-CE1 3.54Å; L1623-F1708 HydrophobicContact CD1-CZ 4.13Å; L1623-F1708 HydrophobicContact CD2-CD1 4.26Å; L1623-F1708 HydrophobicContact CD2-CD2 4.18Å; L1623-F1708 HydrophobicContact CD2-CE1 4.11Å; L1623-F1708 HydrophobicContact CD2-CE2 4.05Å; L1623-F1708 HydrophobicContact CD2-CG 4.29Å; L1623-F1708 HydrophobicContact CD2-CZ 4Å; L1623-F1708 HydrophobicContact CG-CD1 4.36Å; L1623-F1708 HydrophobicContact CG-CE1 3.85Å; L1623-F1708 HydrophobicContact CG-CE2 4.45Å; L1623-F1708 HydrophobicContact CG-CZ 3.9Å; H1705-F1708 HydrophobicContact CB-CB 4.25Å; H1705-F1708 HydrophobicContact CB-CD2 4.27Å; H1705-F1708 PolarHBondContact ND1-N 3.38Å; F1708-I1713 HydrophobicContact CD1-CD1 4.3Å; F1708-I1713 HydrophobicContact CD2-CD1 4.47Å; F1708-I1713 HydrophobicContact CE1-CD1 3.77Å; F1708-I1713 HydrophobicContact CE2-CD1 3.94Å; F1708-I1713 HydrophobicContact CE2-CG1 4Å; F1708-I1713 HydrophobicContact CZ-CD1 3.58Å; F1708-I1713 HydrophobicContact CZ-CG1 4.09Å; F1708-I1731 HydrophobicContact CD2-CG2 4.34Å; F1708-I1731 HydrophobicContact CE2-CD1 3.79Å; F1708-I1731 HydrophobicContact CE2-CG1 4.17Å; F1708-I1731 HydrophobicContact CE2-CG2 4.11Å; F1708-I1731 HydrophobicContact CZ-CD1 4.41Å; F1708-D1745 HydrophobicContact CB-CB 3.7Å; F1708-D1745 HydrophobicContact CD1-CB 4.11Å; F1708-D1745 HydrophobicContact CG-CB 4.02Å; F1708-L1749 HydrophobicContact CD1-CB 4.26Å; F1708-L1749 HydrophobicContact CD1-CD1 4.4Å; F1708-L1749 HydrophobicContact CD1-CD2 4.42Å; F1708-L1749 HydrophobicContact CE1-CD2 4.02Å
1709W85.4Confident80.5Confident22 Ų2222.2 Ų22.28%0.08313%0.133CC..SBendtrans-148.6167.2179.871.6-71.6000111L1607 D1707 S1711 N1712 I1713 F1752 N1753 L1816L1607-W1709 HydrophobicContact CD2-CE3 4.34Å; L1607-W1709 HydrophobicContact CD2-CZ3 3.74Å; L1607-W1709 HydrophobicContact CG-CZ3 4.18Å; D1707-W1709 VanDerWaalsContact O-CD1 3.28Å; D1707-W1709 PolarHBondContact O-N 2.82Å; D1707-W1709 PolarHBondContact OD2-NE1 2.85Å; W1709-S1711 WeakPolarHBondContact CH2-OG 3.32Å; W1709-S1711 VanDerWaalsContact CZ2-CB 3.45Å; W1709-S1711 VanDerWaalsContact CZ3-CB 3.49Å; W1709-S1711 WeakPolarHBondContact CZ3-OG 3.46Å; W1709-S1711 PolarHBondContact O-N 3.27Å; W1709-N1712 VanDerWaalsContact CD1-ND2 3.35Å; W1709-N1712 PolarHBondContact NE1-ND2 2.69Å; W1709-N1712 PolarHBondContact O-N 2.8Å; W1709-I1713 WeakPolarHBondContact O-CG1 3.27Å; W1709-F1752 HydrophobicContact CD2-CD1 4.48Å; W1709-F1752 AromaticContact CE3-CD1 3.86Å; W1709-F1752 HydrophobicContact CE3-CD1 3.86Å; W1709-F1752 AromaticContact CE3-CE1 3.93Å; W1709-F1752 HydrophobicContact CE3-CE1 3.93Å; W1709-F1752 HydrophobicContact CZ3-CD1 4.43Å; W1709-F1752 HydrophobicContact CZ3-CE1 4.12Å; W1709-N1753 WeakPolarHBondContact CB-OD1 3.15Å; W1709-L1816 HydrophobicContact CH2-CD2 4.33Å
1710A81.4Confident79Confident0 Ų031.1 Ų31.10%017%0.172CC..G310 helixtrans-63-22.7-165.600000115.1T1604 L1611 N1712 I1713 N1753T1604-A1710 WeakPolarHBondContact CB-O 3.45Å; L1611-A1710 HydrophobicContact CD1-CB 4.38Å; L1611-A1710 HydrophobicContact CD2-CB 4.14Å; L1611-A1710 HydrophobicContact CG-CB 4.36Å; A1710-N1712 VanDerWaalsContact C-N 3.3Å; A1710-I1713 PolarHBondContact O-N 3.15Å; A1710-I1713 VanDerWaalsContact O-O 3.13Å; A1710-N1753 HydrophobicContact CB-CB 3.85Å; A1710-N1753 VanDerWaalsContact CB-ND2 3.33Å; A1710-N1753 WeakPolarHBondContact CB-ND2 3.39Å; A1710-N1753 PolarHBondContact N-OD1 3.41Å
1711S77.3Confident77.6Confident20 Ų2032 Ų3214%0.1418%0.177CC..G310 helixtrans-78.7-15.2176.2-550000113.6T1604 W1709T1604-S1711 VanDerWaalsContact CG2-O 3.31Å; T1604-S1711 WeakPolarHBondContact CG2-O 3.24Å; W1709-S1711 WeakPolarHBondContact CH2-OG 3.32Å; W1709-S1711 VanDerWaalsContact CZ2-CB 3.45Å; W1709-S1711 VanDerWaalsContact CZ3-CB 3.49Å; W1709-S1711 WeakPolarHBondContact CZ3-OG 3.46Å; W1709-S1711 PolarHBondContact O-N 3.27Å
1712N78.3Confident76Confident2 Ų233.6 Ų33.61%0.01119%0.185CC..G310 helixtrans-96.84.9173.9-72.2-7.3000112D1707 W1709 A1710 I1731 I1732D1707-N1712 PolarHBondContact O-ND2 3.25Å; D1707-N1712 PolarHBondContact OD2-ND2 3.48Å; W1709-N1712 VanDerWaalsContact CD1-ND2 3.35Å; W1709-N1712 PolarHBondContact NE1-ND2 2.69Å; W1709-N1712 PolarHBondContact O-N 2.8Å; A1710-N1712 VanDerWaalsContact C-N 3.3Å; N1712-I1731 WeakPolarHBondContact O-CA 3.4Å; N1712-I1732 HydrophobicContact CB-CG1 4.48Å; N1712-I1732 WeakPolarHBondContact CB-O 3.35Å; N1712-I1732 PolarHBondContact O-N 3.01Å
1713I81.8Confident74.9Confident0 Ų036.6 Ų36.60%021%0.206CC..EExtended strand (participates in β ladder)trans-119.5117.4-179.1-54.7165.8000108.7F1708 W1709 A1710 F1715 I1728 L1749F1708-I1713 HydrophobicContact CD1-CD1 4.3Å; F1708-I1713 HydrophobicContact CD2-CD1 4.47Å; F1708-I1713 HydrophobicContact CE1-CD1 3.77Å; F1708-I1713 HydrophobicContact CE2-CD1 3.94Å; F1708-I1713 HydrophobicContact CE2-CG1 4Å; F1708-I1713 HydrophobicContact CZ-CD1 3.58Å; F1708-I1713 HydrophobicContact CZ-CG1 4.09Å; W1709-I1713 WeakPolarHBondContact O-CG1 3.27Å; A1710-I1713 PolarHBondContact O-N 3.15Å; A1710-I1713 VanDerWaalsContact O-O 3.13Å; I1713-F1715 HydrophobicContact CB-CE2 4.04Å; I1713-F1715 HydrophobicContact CB-CZ 4.38Å; I1713-F1715 HydrophobicContact CG2-CD2 4.11Å; I1713-F1715 HydrophobicContact CG2-CE1 4.1Å; I1713-F1715 HydrophobicContact CG2-CE2 3.56Å; I1713-F1715 HydrophobicContact CG2-CZ 3.55Å; I1713-I1728 HydrophobicContact CG2-CD1 4.15Å; I1713-I1728 HydrophobicContact CG2-CG1 4Å; I1713-I1728 HydrophobicContact CG2-CG2 4.11Å; I1713-L1749 HydrophobicContact CD1-CD1 3.87Å
1714L77.4Confident74.3Confident26 Ų2638.6 Ų38.614%0.13622%0.218CC..EExtended strand (participates in β ladder)trans-95.3114.5176.3-65.5168.9000108.6L1598 A1602 T1604 I1728 A1729 G1730 I1732L1598-L1714 HydrophobicContact CB-CD1 4.02Å; L1598-L1714 HydrophobicContact CD1-CD1 3.86Å; L1598-L1714 HydrophobicContact CG-CD1 4.5Å; A1602-L1714 HydrophobicContact CB-CB 3.9Å; T1604-L1714 HydrophobicContact CG2-CD2 3.8Å; L1714-I1728 CarbonylContact O-C 3.46Å; L1714-A1729 PolarHBondContact O-N 3.03Å; L1714-G1730 PolarHBondContact N-O 2.9Å; L1714-G1730 PolarHBondContact O-N 3.19Å; L1714-I1732 HydrophobicContact CD1-CG2 4.07Å
1715F80.8Confident73.9Confident0 Ų040.1 Ų40.10%023%0.229CC..EExtended strand (participates in β ladder)trans-92.5141.9173.2-64.7-85.4000110.2A1602 R1603 T1605 L1611 Q1615 I1713 A1717 T1724 R1727 I1728A1602-F1715 CarbonylContact C-O 3.6Å; A1602-F1715 WeakPolarHBondContact CA-O 3.39Å; A1602-F1715 WeakPolarHBondContact CB-O 3.38Å; R1603-F1715 PolarHBondContact N-O 3.13Å; R1603-F1715 PolarHBondContact O-N 2.87Å; T1605-F1715 HydrophobicContact CG2-CD2 3.77Å; T1605-F1715 HydrophobicContact CG2-CE2 3.9Å; L1611-F1715 HydrophobicContact CD2-CE2 3.75Å; L1611-F1715 HydrophobicContact CD2-CZ 3.87Å; Q1615-F1715 HydrophobicContact CB-CE1 3.72Å; Q1615-F1715 HydrophobicContact CB-CZ 3.92Å; Q1615-F1715 HydrophobicContact CG-CD1 3.92Å; Q1615-F1715 HydrophobicContact CG-CE1 3.63Å; Q1615-F1715 HydrophobicContact CG-CZ 4.06Å; I1713-F1715 HydrophobicContact CB-CE2 4.04Å; I1713-F1715 HydrophobicContact CB-CZ 4.38Å; I1713-F1715 HydrophobicContact CG2-CD2 4.11Å; I1713-F1715 HydrophobicContact CG2-CE1 4.1Å; I1713-F1715 HydrophobicContact CG2-CE2 3.56Å; I1713-F1715 HydrophobicContact CG2-CZ 3.55Å; F1715-A1717 PolarHBondContact O-N 2.54Å; F1715-T1724 HydrophobicContact CB-CG2 4.05Å; F1715-R1727 CarbonylContact C-O 3.56Å; F1715-R1727 WeakPolarHBondContact CA-O 3.34Å; F1715-I1728 HydrophobicContact CD1-CG1 4.02Å; F1715-I1728 HydrophobicContact CE1-CD1 4.47Å; F1715-I1728 HydrophobicContact CE1-CG1 3.73Å
1716E74.6Confident73.7Confident59 Ų5943.6 Ų43.628%0.27625%0.247SC..EExtended strand (participates in β ladder)trans-57128.8172.3-71.1-178173.900109.3R1601 S1725 R1727 A1729R1601-E1716 WeakPolarHBondContact O-CA 3.46Å; E1716-S1725 WeakPolarHBondContact O-CB 3.17Å; E1716-S1725 PolarHBondContact O-N 2.99Å; E1716-S1725 PolarHBondContact O-OG 3.32Å; E1716-R1727 HydrophobicContact CB-CB 4.32Å; E1716-R1727 HydrophobicContact CG-CB 4.17Å; E1716-R1727 PolarHBondContact N-O 3.36Å; E1716-R1727 WeakPolarHBondContact OE2-CD 3.18Å; E1716-A1729 HydrophobicContact CG-CB 3.96Å
1717A71.7Confident73.2Confident25 Ų2548.2 Ų48.221%0.20726%0.264CS..EExtended strand (participates in β ladder)trans-95.7137.4177.300000110.1R1601 R1603 F1715 S1719R1601-A1717 PolarHBondContact O-N 3.4Å; R1603-A1717 HydrophobicContact CB-CB 4.49Å; R1603-A1717 HydrophobicContact CG-CB 3.9Å; F1715-A1717 PolarHBondContact O-N 2.54Å; A1717-S1719 PolarHBondContact O-N 3.26Å
1718D64.7Low72.9Confident61 Ų6147.3 Ų47.333%0.32626%0.259SS..PPolyproline II helixtrans-73122.5168.3-176.6-35.3000108.8K1720 T1721 N1722 S1723D1718-K1720 PolarHBondContact O-N 3.28Å; D1718-K1720 WeakPolarHBondContact OD1-CB 3.43Å; D1718-K1720 PolarHBondContact OD1-N 3.38Å; D1718-T1721 WeakPolarHBondContact CB-OG1 3.42Å; D1718-T1721 PolarHBondContact OD1-N 2.97Å; D1718-N1722 VanDerWaalsContact O-CA 3.22Å; D1718-N1722 WeakPolarHBondContact O-CA 3.47Å; D1718-N1722 PolarHBondContact O-N 2.85Å; D1718-S1723 PolarHBondContact N-O 3.42Å
1719S54.9Low71.8Confident120 Ų12047.6 Ų47.684%0.83926%0.262SS*.THydrogen-bonded Turntrans-63.8-23.9-17754.80000113.5A1717A1717-S1719 PolarHBondContact O-N 3.26Å
1720K53.3Low71Confident187 Ų18746.5 Ų46.581%0.81326%0.258SS*.THydrogen-bonded Turntrans-90.1-46-178.6-66.1-179.4-179.8173.10112.5D1718D1718-K1720 PolarHBondContact O-N 3.28Å; D1718-K1720 WeakPolarHBondContact OD1-CB 3.43Å; D1718-K1720 PolarHBondContact OD1-N 3.38Å
1721T56.9Low70.6Confident83 Ų8346.9 Ų46.951%0.50926%0.259SS..THydrogen-bonded Turntrans-94-14.9-175.163.40000113.1D1718 S1723D1718-T1721 WeakPolarHBondContact CB-OG1 3.42Å; D1718-T1721 PolarHBondContact OD1-N 2.97Å; T1721-S1723 PolarHBondContact O-N 3.41Å; T1721-S1723 VanDerWaalsContact O-N 3.08Å; T1721-S1723 PolarHBondContact OG1-N 3.46Å; T1721-S1723 PolarHBondContact OG1-OG 3.13Å
1722N53.4Low70.4Confident51 Ų5147.5 Ų47.527%0.27326%0.261SS..  trans57.213.7-172.4-149.137.7000113.8T1100 D1718T1100-N1722 WeakPolarHBondContact CB-ND2 3.26Å; T1100-N1722 HydrophobicContact CG2-CB 3.58Å; T1100-N1722 WeakPolarHBondContact CG2-ND2 3.33Å; T1100-N1722 PolarHBondContact O-ND2 3.11Å; D1718-N1722 VanDerWaalsContact O-CA 3.22Å; D1718-N1722 WeakPolarHBondContact O-CA 3.47Å; D1718-N1722 PolarHBondContact O-N 2.85Å
1723S68.5Low70.1Confident63 Ų6347.7 Ų47.744%0.44126%0.262SS..  trans-80.4143.417360.90000110D1718 T1721D1718-S1723 PolarHBondContact N-O 3.42Å; T1721-S1723 PolarHBondContact O-N 3.41Å; T1721-S1723 VanDerWaalsContact O-N 3.08Å; T1721-S1723 PolarHBondContact OG1-N 3.46Å; T1721-S1723 PolarHBondContact OG1-OG 3.13Å
1724T74Confident69.8Low41 Ų4148.1 Ų48.125%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-70.1134.5169.5450000109.7R1603 T1605 Q1615 F1715R1603-T1724 HydrophobicContact CB-CG2 3.9Å; T1605-T1724 HydrophobicContact CG2-CG2 4.29Å; Q1615-T1724 PolarHBondContact NE2-OG1 3.34Å; Q1615-T1724 VanDerWaalsContact NE2-OG1 3.17Å; F1715-T1724 HydrophobicContact CB-CG2 4.05Å
1725S81.8Confident69.6Low32 Ų3247.6 Ų47.622%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-78.9-179169.676.50000110.7Q1615 E1716 R1727Q1615-S1725 PolarHBondContact NE2-O 3.07Å; Q1615-S1725 VanDerWaalsContact NE2-O 3.08Å; E1716-S1725 WeakPolarHBondContact O-CB 3.17Å; E1716-S1725 PolarHBondContact O-N 2.99Å; E1716-S1725 PolarHBondContact O-OG 3.32Å; S1725-R1727 VanDerWaalsContact C-N 3.3Å; S1725-R1727 PolarHBondContact OG-N 3.37Å; S1725-R1727 VanDerWaalsContact OG-N 3.11Å
1726D81.3Confident69.4Low74 Ų7449 Ų4940%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-79.2-11.9171.4-64-30.1000112.9T1612 G1614 Q1615 K1618T1612-D1726 PolarHBondContact OG1-OD1 2.89Å; G1614-D1726 WeakPolarHBondContact CA-OD2 3.49Å; Q1615-D1726 HydrophobicContact CG-CB 4.5Å; Q1615-D1726 PolarHBondContact N-OD1 3.37Å; K1618-D1726 VanDerWaalsContact CB-O 3.23Å; K1618-D1726 WeakPolarHBondContact CB-O 3.48Å; K1618-D1726 HydrophobicContact CG-CB 4.44Å; K1618-D1726 WeakPolarHBondContact CG-O 3.39Å
1727R71.8Confident69.9Low99 Ų9946.2 Ų46.237%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-83133.6-175-68.6-175.5176.5-166.9-2.1111.7F1715 E1716 S1725F1715-R1727 CarbonylContact C-O 3.56Å; F1715-R1727 WeakPolarHBondContact CA-O 3.34Å; E1716-R1727 HydrophobicContact CB-CB 4.32Å; E1716-R1727 HydrophobicContact CG-CB 4.17Å; E1716-R1727 PolarHBondContact N-O 3.36Å; E1716-R1727 WeakPolarHBondContact OE2-CD 3.18Å; S1725-R1727 VanDerWaalsContact C-N 3.3Å; S1725-R1727 PolarHBondContact OG-N 3.37Å; S1725-R1727 VanDerWaalsContact OG-N 3.11Å
1728I75.3Confident70.6Confident27 Ų2745.1 Ų45.114%0.13825%0.245CC..EExtended strand (participates in β ladder)trans-86.5118.5175.4-62.2173.4000108.5K1618 C1619 I1713 L1714 F1715 I1731K1618-I1728 HydrophobicContact CB-CD1 4.44Å; C1619-I1728 HydrophobicContact CB-CD1 4.45Å; I1713-I1728 HydrophobicContact CG2-CD1 4.15Å; I1713-I1728 HydrophobicContact CG2-CG1 4Å; I1713-I1728 HydrophobicContact CG2-CG2 4.11Å; L1714-I1728 CarbonylContact O-C 3.46Å; F1715-I1728 HydrophobicContact CD1-CG1 4.02Å; F1715-I1728 HydrophobicContact CE1-CD1 4.47Å; F1715-I1728 HydrophobicContact CE1-CG1 3.73Å; I1728-I1731 HydrophobicContact CG2-CG1 4.09Å
1729A64.1Low71.8Confident7 Ų743.2 Ų43.26%0.05823%0.234CC..EExtended strand (participates in β ladder)trans-82-31.9172.800000112.2A1570 A1602 L1714 E1716A1570-A1729 CarbonylContact C-O 3.53Å; A1602-A1729 HydrophobicContact CB-CB 3.43Å; A1602-A1729 VanDerWaalsContact CB-CB 3.43Å; L1714-A1729 PolarHBondContact O-N 3.03Å; E1716-A1729 HydrophobicContact CG-CB 3.96Å
1730G67.8Low73.4Confident0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-171.9157.6178.700000113.6L1714L1714-G1730 PolarHBondContact N-O 2.9Å; L1714-G1730 PolarHBondContact O-N 3.19Å
1731I73.7Confident75.1Confident7 Ų729.2 Ų29.24%0.03616%0.16CC..EExtended strand (participates in β ladder)trans-120.4130172.3-61.8162.7000107.3L1571 T1622 F1708 N1712 I1728 W1734L1571-I1731 HydrophobicContact CD2-CB 3.93Å; L1571-I1731 HydrophobicContact CD2-CD1 4.17Å; L1571-I1731 HydrophobicContact CD2-CG1 4.12Å; T1622-I1731 HydrophobicContact CG2-CD1 3.63Å; F1708-I1731 HydrophobicContact CD2-CG2 4.34Å; F1708-I1731 HydrophobicContact CE2-CD1 3.79Å; F1708-I1731 HydrophobicContact CE2-CG1 4.17Å; F1708-I1731 HydrophobicContact CE2-CG2 4.11Å; F1708-I1731 HydrophobicContact CZ-CD1 4.41Å; N1712-I1731 WeakPolarHBondContact O-CA 3.4Å; I1728-I1731 HydrophobicContact CG2-CG1 4.09Å; I1731-W1734 HydrophobicContact CB-CZ2 3.85Å; I1731-W1734 HydrophobicContact CG2-CH2 4.19Å; I1731-W1734 HydrophobicContact CG2-CZ2 3.67Å; I1731-W1734 PolarHBondContact O-NE1 3.41Å
1732I72.8Confident76.7Confident34 Ų3425.4 Ų25.417%0.17414%0.136CC..  trans-124.6166.5-172.961.3171.4000111.3H1705 N1712 L1714H1705-I1732 PolarHBondContact NE2-O 3.21Å; N1712-I1732 HydrophobicContact CB-CG1 4.48Å; N1712-I1732 WeakPolarHBondContact CB-O 3.35Å; N1712-I1732 PolarHBondContact O-N 3.01Å; L1714-I1732 HydrophobicContact CD1-CG2 4.07Å
1733D71.7Confident78.5Confident6 Ų623 Ų233%0.03212%0.123CC..  trans6861.6175.6-153.813.3000115.7K1413 H1705 Q1735K1413-D1733 IonicContact NZ-OD1 2.65Å; K1413-D1733 PolarHBondContact NZ-OD1 2.87Å; H1705-D1733 PolarHBondContact CE1-O 2.95Å; H1705-D1733 VanDerWaalsContact CE1-O 3.29Å; D1733-Q1735 PolarHBondContact O-N 3.01Å; D1733-Q1735 VanDerWaalsContact OD1-CD 3.28Å; D1733-Q1735 VanDerWaalsContact OD1-CG 3.31Å; D1733-Q1735 WeakPolarHBondContact OD1-CG 3.46Å; D1733-Q1735 PolarHBondContact OD1-NE2 3.42Å; D1733-Q1735 PolarHBondContact OD2-NE2 3.35Å
1734W76Confident79.4Confident8 Ų820.6 Ų20.63%0.0311%0.105CC..G310 helixtrans-80.410.4-176.2-61.885.1000114.6E1448 I1451 Y1452 L1455 L1626 F1703 H1705 I1731 M1736 S1737E1448-W1734 HydrophobicContact CG-CB 4.23Å; I1451-W1734 HydrophobicContact CB-CB 4.46Å; I1451-W1734 HydrophobicContact CD1-CB 3.96Å; I1451-W1734 WeakPolarHBondContact CD1-O 3.17Å; I1451-W1734 HydrophobicContact CG2-CB 4.18Å; I1451-W1734 HydrophobicContact CG2-CD2 4.09Å; I1451-W1734 HydrophobicContact CG2-CE3 4.03Å; I1451-W1734 HydrophobicContact CG2-CG 4.16Å; Y1452-W1734 AromaticContact CE1-CD1 3.9Å; Y1452-W1734 AromaticContact CZ-CD1 3.53Å; L1455-W1734 HydrophobicContact CD1-CH2 4.46Å; L1455-W1734 HydrophobicContact CD1-CZ2 4.48Å; L1626-W1734 HydrophobicContact CD2-CH2 3.86Å; L1626-W1734 HydrophobicContact CD2-CZ3 3.74Å; F1703-W1734 AromaticContact CE1-CE3 3.95Å; F1703-W1734 HydrophobicContact CE1-CE3 3.95Å; F1703-W1734 AromaticContact CE1-CZ3 3.81Å; F1703-W1734 HydrophobicContact CE1-CZ3 3.81Å; F1703-W1734 HydrophobicContact CZ-CE3 4.43Å; H1705-W1734 HydrophobicContact CB-CE3 4.34Å; H1705-W1734 HydrophobicContact CB-CZ3 4.09Å; H1705-W1734 AromaticContact CD2-CD2 3.57Å; H1705-W1734 AromaticContact CD2-CE2 3.88Å; H1705-W1734 AromaticContact CD2-CE3 3.32Å; H1705-W1734 AromaticContact CD2-CH2 3.8Å; H1705-W1734 AromaticContact CD2-CZ3 3.45Å; H1705-W1734 VanDerWaalsContact CD2-CZ3 3.45Å; H1705-W1734 WeakPolarHBondContact CD2-CZ3 3.43Å; H1705-W1734 AromaticContact NE2-CD2 3.92Å; I1731-W1734 HydrophobicContact CB-CZ2 3.85Å; I1731-W1734 HydrophobicContact CG2-CH2 4.19Å; I1731-W1734 HydrophobicContact CG2-CZ2 3.67Å; I1731-W1734 PolarHBondContact O-NE1 3.41Å; W1734-M1736 PolarHBondContact O-N 3.34Å; W1734-M1736 VanDerWaalsContact O-N 3.14Å; W1734-S1737 WeakPolarHBondContact O-CB 3.42Å; W1734-S1737 PolarHBondContact O-N 3.06Å; W1734-S1737 VanDerWaalsContact O-N 3.13Å; W1734-S1737 PolarHBondContact O-OG 3.03Å
1735Q72.3Confident80.3Confident15 Ų1518.6 Ų18.67%0.079%0.093CC..G310 helixtrans-61.7-25-171.965.9179.7-45.300114.3L1444 E1448 D1733L1444-Q1735 HydrophobicContact CB-CB 4.26Å; L1444-Q1735 VanDerWaalsContact CD2-O 3.26Å; L1444-Q1735 WeakPolarHBondContact CD2-O 3.17Å; E1448-Q1735 HydrophobicContact CB-CB 4.46Å; D1733-Q1735 PolarHBondContact O-N 3.01Å; D1733-Q1735 VanDerWaalsContact OD1-CD 3.28Å; D1733-Q1735 VanDerWaalsContact OD1-CG 3.31Å; D1733-Q1735 WeakPolarHBondContact OD1-CG 3.46Å; D1733-Q1735 PolarHBondContact OD1-NE2 3.42Å; D1733-Q1735 PolarHBondContact OD2-NE2 3.35Å
1736M77Confident80.8Confident29 Ų2917.3 Ų17.314%0.1438%0.083CC..G310 helixtrans-958.5-178.3-61.1-53.4-71.900113.5F1439 L1444 F1647 H1705 D1707 W1734 H1738F1439-M1736 HydrophobicContact CD1-CE 4.49Å; F1439-M1736 HydrophobicContact CD1-SD 4.4Å; F1439-M1736 HydrophobicContact CE1-CE 3.45Å; F1439-M1736 VanDerWaalsContact CE1-CE 3.45Å; F1439-M1736 HydrophobicContact CE1-SD 3.81Å; F1439-M1736 HydrophobicContact CZ-CE 3.86Å; L1444-M1736 HydrophobicContact CD2-SD 4.16Å; F1647-M1736 HydrophobicContact CE2-CE 3.38Å; F1647-M1736 HydrophobicContact CZ-CE 3.47Å; F1647-M1736 VanDerWaalsContact CZ-CE 3.47Å; H1705-M1736 CarbonylContact O-C 3.56Å; D1707-M1736 HydrophobicContact CB-CB 4.05Å; D1707-M1736 HydrophobicContact CB-CG 3.96Å; W1734-M1736 PolarHBondContact O-N 3.34Å; W1734-M1736 VanDerWaalsContact O-N 3.14Å; M1736-H1738 PolarHBondContact O-ND1 2.86Å
1737S83.9Confident81.2Confident1 Ų113.8 Ų13.81%0.0076%0.064CC..  trans-67.3140.7-174.3-53.50000111.9I1451 V1704 H1705 W1734I1451-S1737 VanDerWaalsContact CD1-OG 3.28Å; I1451-S1737 WeakPolarHBondContact CD1-OG 3.35Å; V1704-S1737 WeakPolarHBondContact O-CA 3.38Å; V1704-S1737 WeakPolarHBondContact O-CB 3.48Å; H1705-S1737 WeakPolarHBondContact O-CA 3.24Å; H1705-S1737 PolarHBondContact O-N 2.79Å; H1705-S1737 PolarHBondContact O-OG 3.27Å; W1734-S1737 WeakPolarHBondContact O-CB 3.42Å; W1734-S1737 PolarHBondContact O-N 3.06Å; W1734-S1737 VanDerWaalsContact O-N 3.13Å; W1734-S1737 PolarHBondContact O-OG 3.03Å
1738H87.6Confident81.9Confident2 Ų210.5 Ų10.51%0.0095%0.052CC..EExtended strand (participates in β ladder)trans-156.2173.4-175.759.2-79.5000111.2P1642 F1647 V1704 M1736 E1744P1642-H1738 HydrophobicContact CB-CB 4.33Å; P1642-H1738 WeakPolarHBondContact O-CB 3.45Å; F1647-H1738 AromaticContact CD1-CE1 3.64Å; F1647-H1738 AromaticContact CD1-NE2 3.64Å; F1647-H1738 AromaticContact CE1-CE1 3.67Å; V1704-H1738 WeakPolarHBondContact CB-O 3.33Å; V1704-H1738 PolarHBondContact N-O 2.93Å; V1704-H1738 PolarHBondContact O-N 3.27Å; V1704-H1738 VanDerWaalsContact O-N 3.08Å; M1736-H1738 PolarHBondContact O-ND1 2.86Å; H1738-E1744 IonicContact CE1-OE1 3.68Å; H1738-E1744 IonicContact CE1-OE2 2.9Å; H1738-E1744 IonicContact NE2-OE1 3.49Å; H1738-E1744 IonicContact NE2-OE2 3.08Å; H1738-E1744 PolarHBondContact NE2-OE2 2.98Å
1739Q89Confident82.6Confident22 Ų229.2 Ų9.210%0.1035%0.046CC..EExtended strand (participates in β ladder)trans-78.7126.5170.6-55.2174.760.600108.4W1637 K1638 L1641 P1642 A1644 D1701W1637-Q1739 HydrophobicContact CE3-CG 4.35Å; W1637-Q1739 HydrophobicContact CH2-CB 4.5Å; W1637-Q1739 HydrophobicContact CH2-CG 4.26Å; W1637-Q1739 HydrophobicContact CZ3-CB 4.17Å; W1637-Q1739 HydrophobicContact CZ3-CG 3.64Å; K1638-Q1739 HydrophobicContact CB-CG 4.39Å; K1638-Q1739 HydrophobicContact CG-CG 4.26Å; K1638-Q1739 PolarHBondContact O-NE2 2.94Å; L1641-Q1739 HydrophobicContact CB-CG 4.29Å; L1641-Q1739 PolarHBondContact O-NE2 3.15Å; P1642-Q1739 WeakPolarHBondContact O-CG 3.43Å; P1642-Q1739 PolarHBondContact O-N 2.57Å; A1644-Q1739 WeakPolarHBondContact CA-O 3.35Å; A1644-Q1739 WeakPolarHBondContact CB-O 3.45Å; A1644-Q1739 PolarHBondContact N-O 3.2Å; D1701-Q1739 HydrophobicContact CB-CB 4.42Å
1740G88.7Confident83.9Confident0 Ų08.9 Ų8.90%04%0.043CC..EExtended strand (participates in β ladder)trans-164.4-163.3-175.400000115.4D1701 V1702D1701-G1740 WeakPolarHBondContact CA-O 3.5Å; V1702-G1740 PolarHBondContact N-O 2.79Å; V1702-G1740 PolarHBondContact O-N 3.37Å
1741S89.1Confident84.6Confident12 Ų129 Ų98%0.0844%0.044CC..  trans-76.9138-177.6-177.90000111.8Y1695 V1704 A1743 E1744Y1695-S1741 WeakPolarHBondContact CB-OG 3.48Å; Y1695-S1741 VanDerWaalsContact CE2-CA 3.49Å; Y1695-S1741 VanDerWaalsContact CG-OG 3.3Å; V1704-S1741 WeakPolarHBondContact CG2-O 3.28Å; S1741-A1743 PolarHBondContact O-N 2.84Å; S1741-A1743 PolarHBondContact OG-N 3.45Å; S1741-E1744 WeakPolarHBondContact O-CB 3.35Å; S1741-E1744 PolarHBondContact O-N 2.88Å
1742F91.1Very high84.9Confident3 Ų310 Ų101%0.0135%0.048CC..THydrogen-bonded Turntrans-57-2317075.7-93.8000113.1Q1627 I1699 V1702 F1767 Y1770 A1790 V1793Q1627-F1742 PolarHBondContact OE1-O 3.03Å; I1699-F1742 HydrophobicContact CB-CD1 3.75Å; I1699-F1742 HydrophobicContact CB-CE1 4.13Å; I1699-F1742 HydrophobicContact CD1-CD1 3.68Å; I1699-F1742 HydrophobicContact CD1-CD2 4.23Å; I1699-F1742 HydrophobicContact CD1-CE1 3.83Å; I1699-F1742 HydrophobicContact CD1-CE2 4.42Å; I1699-F1742 HydrophobicContact CD1-CG 3.87Å; I1699-F1742 HydrophobicContact CD1-CZ 4.21Å; I1699-F1742 HydrophobicContact CG1-CD1 4.05Å; I1699-F1742 HydrophobicContact CG1-CE1 4.09Å; I1699-F1742 HydrophobicContact CG2-CD1 4.42Å; V1702-F1742 HydrophobicContact CG1-CB 4.45Å; V1702-F1742 HydrophobicContact CG2-CB 3.99Å; F1742-F1767 HydrophobicContact CD2-CE2 4.29Å; F1742-F1767 HydrophobicContact CD2-CZ 4.38Å; F1742-F1767 AromaticContact CE2-CE2 3.87Å; F1742-F1767 HydrophobicContact CE2-CE2 3.87Å; F1742-F1767 AromaticContact CE2-CZ 3.66Å; F1742-F1767 HydrophobicContact CE2-CZ 3.66Å; F1742-Y1770 WeakPolarHBondContact CB-OH 3.29Å; F1742-Y1770 AromaticContact CD2-CE1 3.99Å; F1742-Y1770 HydrophobicContact CD2-CE1 3.99Å; F1742-A1790 HydrophobicContact CE2-CB 4.42Å; F1742-A1790 HydrophobicContact CZ-CB 4.17Å; F1742-V1793 HydrophobicContact CE1-CG1 4.07Å; F1742-V1793 HydrophobicContact CZ-CB 4.06Å; F1742-V1793 HydrophobicContact CZ-CG1 3.89Å
1743A90Very high85.4Confident0 Ų08.3 Ų8.30%04%0.039CC..THydrogen-bonded Turntrans-84.2-15.5179.900000113.8S1741 S1747 V1793 F1794 A1797S1741-A1743 PolarHBondContact O-N 2.84Å; S1741-A1743 PolarHBondContact OG-N 3.45Å; A1743-S1747 WeakPolarHBondContact O-CB 3.47Å; A1743-S1747 PolarHBondContact O-N 3.44Å; A1743-S1747 PolarHBondContact O-OG 2.87Å; A1743-V1793 HydrophobicContact CB-CG1 4.48Å; A1743-F1794 HydrophobicContact CB-CB 4.24Å; A1743-F1794 HydrophobicContact CB-CD2 4.14Å; A1743-A1797 HydrophobicContact CB-CB 3.87Å
1744E89.4Confident86.1Confident13 Ų138 Ų86%0.0614%0.038CC..Hα-helixtrans-65.9-57.9-166.1170.9156.7-171.400113.7V1704 H1738 S1741 L1746 S1747 R1748 Y1801V1704-E1744 HydrophobicContact CG1-CB 4.14Å; V1704-E1744 HydrophobicContact CG1-CG 3.81Å; H1738-E1744 IonicContact CE1-OE1 3.68Å; H1738-E1744 IonicContact CE1-OE2 2.9Å; H1738-E1744 IonicContact NE2-OE1 3.49Å; H1738-E1744 IonicContact NE2-OE2 3.08Å; H1738-E1744 PolarHBondContact NE2-OE2 2.98Å; S1741-E1744 WeakPolarHBondContact O-CB 3.35Å; S1741-E1744 PolarHBondContact O-N 2.88Å; E1744-L1746 VanDerWaalsContact C-N 3.34Å; E1744-L1746 PolarHBondContact O-N 3Å; E1744-S1747 WeakPolarHBondContact O-CB 3.26Å; E1744-S1747 PolarHBondContact O-N 2.9Å; E1744-S1747 VanDerWaalsContact O-N 3.15Å; E1744-R1748 PolarHBondContact O-N 2.87Å; E1744-R1748 IonicContact OE1-CZ 3.04Å; E1744-R1748 IonicContact OE1-NH1 3.65Å; E1744-R1748 PolarHBondContact OE1-NH1 2.91Å; E1744-R1748 IonicContact OE1-NH2 2.85Å; E1744-Y1801 HydrophobicContact CG-CE2 4.35Å; E1744-Y1801 WeakPolarHBondContact CG-OH 3.36Å; E1744-Y1801 PolarHBondContact OE1-OH 3.17Å; E1744-Y1801 VanDerWaalsContact OE1-OH 3.05Å; E1744-Y1801 PolarHBondContact OE2-OH 3.06Å
1745D91Very high86.7Confident0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-60.2-43.5-174.7-73.5-36.5000112.1L1623 V1704 H1705 G1706 F1708 R1748 L1749L1623-D1745 HydrophobicContact CD1-CB 3.8Å; L1623-D1745 HydrophobicContact CD2-CB 3.73Å; L1623-D1745 HydrophobicContact CG-CB 4.44Å; V1704-D1745 WeakPolarHBondContact CA-OD2 3.15Å; V1704-D1745 WeakPolarHBondContact CG1-OD1 3.26Å; H1705-D1745 PolarHBondContact N-OD1 3.47Å; H1705-D1745 PolarHBondContact N-OD2 3.37Å; G1706-D1745 PolarHBondContact N-OD1 3.49Å; F1708-D1745 HydrophobicContact CB-CB 3.7Å; F1708-D1745 HydrophobicContact CD1-CB 4.11Å; F1708-D1745 HydrophobicContact CG-CB 4.02Å; D1745-R1748 PolarHBondContact O-N 2.81Å; D1745-L1749 PolarHBondContact O-N 2.89Å
1746L92.3Very high87.4Confident4 Ų49.8 Ų9.82%0.0215%0.049CC..Hα-helixtrans-69.9-35.6178.9-167.662.7000111.7A1620 L1623 E1744 L1749 Y1750 V1766 F1767 F1794A1620-L1746 HydrophobicContact CB-CD1 4.38Å; A1620-L1746 HydrophobicContact CB-CD2 4.5Å; L1623-L1746 HydrophobicContact CD1-CB 4.1Å; L1623-L1746 HydrophobicContact CD1-CD1 4.38Å; E1744-L1746 VanDerWaalsContact C-N 3.34Å; E1744-L1746 PolarHBondContact O-N 3Å; L1746-L1749 HydrophobicContact CD1-CD2 4.3Å; L1746-L1749 PolarHBondContact O-N 3.41Å; L1746-Y1750 HydrophobicContact CD1-CD2 4.27Å; L1746-Y1750 HydrophobicContact CD1-CE2 4.11Å; L1746-Y1750 HydrophobicContact CG-CD2 4.09Å; L1746-Y1750 HydrophobicContact CG-CE2 4.12Å; L1746-Y1750 WeakPolarHBondContact O-CD2 3.45Å; L1746-Y1750 PolarHBondContact O-N 3.5Å; L1746-V1766 HydrophobicContact CD1-CG1 4.41Å; L1746-V1766 HydrophobicContact CD2-CG1 4.47Å; L1746-F1767 HydrophobicContact CD2-CD2 4.2Å; L1746-F1794 HydrophobicContact CB-CE2 3.84Å; L1746-F1794 HydrophobicContact CB-CZ 4.49Å; L1746-F1794 HydrophobicContact CD2-CE1 4.49Å; L1746-F1794 HydrophobicContact CD2-CE2 3.75Å; L1746-F1794 HydrophobicContact CD2-CZ 3.73Å; L1746-F1794 HydrophobicContact CG-CE2 3.72Å; L1746-F1794 HydrophobicContact CG-CZ 3.86Å
1747S91.1Very high87.9Confident0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-65.6-40.8175.4-64.30000111.8A1743 E1744 Y1750 S1751 T1798A1743-S1747 WeakPolarHBondContact O-CB 3.47Å; A1743-S1747 PolarHBondContact O-N 3.44Å; A1743-S1747 PolarHBondContact O-OG 2.87Å; E1744-S1747 WeakPolarHBondContact O-CB 3.26Å; E1744-S1747 PolarHBondContact O-N 2.9Å; E1744-S1747 VanDerWaalsContact O-N 3.15Å; S1747-Y1750 PolarHBondContact O-N 3.31Å; S1747-S1751 WeakPolarHBondContact O-CB 3.44Å; S1747-S1751 PolarHBondContact O-N 3.41Å; S1747-S1751 PolarHBondContact O-OG 3.24Å; S1747-T1798 PolarHBondContact OG-N 3.29Å; S1747-T1798 PolarHBondContact OG-OG1 2.98Å; S1747-T1798 VanDerWaalsContact OG-OG1 3.12Å
1748R86.9Confident88.1Confident31 Ų3117.6 Ų17.612%0.1179%0.087CC..Hα-helixtrans-63-45.5175.5-172.3175.1-94.5114.3-6.1110.4G1706 E1744 D1745 Y1750 S1751 F1752G1706-R1748 PolarHBondContact O-NE 3.25Å; G1706-R1748 PolarHBondContact O-NH1 3.14Å; E1744-R1748 PolarHBondContact O-N 2.87Å; E1744-R1748 IonicContact OE1-CZ 3.04Å; E1744-R1748 IonicContact OE1-NH1 3.65Å; E1744-R1748 PolarHBondContact OE1-NH1 2.91Å; E1744-R1748 IonicContact OE1-NH2 2.85Å; D1745-R1748 PolarHBondContact O-N 2.81Å; R1748-Y1750 PolarHBondContact O-N 3.16Å; R1748-S1751 PolarHBondContact O-N 2.95Å; R1748-F1752 WeakPolarHBondContact O-CB 3.49Å; R1748-F1752 PolarHBondContact O-N 3.43Å
1749L89.7Confident88.2Confident0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-56.7-48.7175.5-168.569.3000112.6L1611 L1616 C1619 F1708 I1713 D1745 L1746 S1751 F1752 N1753L1611-L1749 HydrophobicContact CD1-CD1 3.65Å; L1611-L1749 HydrophobicContact CD1-CD2 3.96Å; L1611-L1749 HydrophobicContact CD1-CG 3.92Å; L1616-L1749 HydrophobicContact CD2-CD2 3.83Å; L1616-L1749 HydrophobicContact CD2-CG 4.38Å; C1619-L1749 HydrophobicContact CB-CD2 3.75Å; F1708-L1749 HydrophobicContact CD1-CB 4.26Å; F1708-L1749 HydrophobicContact CD1-CD1 4.4Å; F1708-L1749 HydrophobicContact CD1-CD2 4.42Å; F1708-L1749 HydrophobicContact CE1-CD2 4.02Å; I1713-L1749 HydrophobicContact CD1-CD1 3.87Å; D1745-L1749 PolarHBondContact O-N 2.89Å; L1746-L1749 HydrophobicContact CD1-CD2 4.3Å; L1746-L1749 PolarHBondContact O-N 3.41Å; L1749-S1751 VanDerWaalsContact C-N 3.29Å; L1749-S1751 PolarHBondContact O-N 3.37Å; L1749-F1752 PolarHBondContact O-N 2.93Å; L1749-N1753 PolarHBondContact O-N 2.88Å
1750Y89.7Confident88.2Confident0 Ų023.6 Ų23.60%011%0.109CC..Hα-helixtrans-66.7-27.7178.8-93.9-72.4000114.1L1616 L1746 S1747 R1748 V1754 R1759 T1762 M1763 V1766 F1794L1616-Y1750 HydrophobicContact CD1-CE1 4.11Å; L1746-Y1750 HydrophobicContact CD1-CD2 4.27Å; L1746-Y1750 HydrophobicContact CD1-CE2 4.11Å; L1746-Y1750 HydrophobicContact CG-CD2 4.09Å; L1746-Y1750 HydrophobicContact CG-CE2 4.12Å; L1746-Y1750 WeakPolarHBondContact O-CD2 3.45Å; L1746-Y1750 PolarHBondContact O-N 3.5Å; S1747-Y1750 PolarHBondContact O-N 3.31Å; R1748-Y1750 PolarHBondContact O-N 3.16Å; Y1750-V1754 HydrophobicContact CD1-CB 3.98Å; Y1750-V1754 HydrophobicContact CD1-CG1 3.92Å; Y1750-V1754 HydrophobicContact CD1-CG2 3.93Å; Y1750-V1754 HydrophobicContact CE1-CG1 4.03Å; Y1750-V1754 HydrophobicContact CE1-CG2 4.34Å; Y1750-V1754 HydrophobicContact CG-CG2 4.44Å; Y1750-R1759 HydrophobicContact CD1-CB 3.89Å; Y1750-R1759 HydrophobicContact CD1-CG 3.65Å; Y1750-R1759 HydrophobicContact CE1-CB 4.21Å; Y1750-R1759 HydrophobicContact CE1-CG 4.14Å; Y1750-R1759 PolarHBondContact O-NH1 2.57Å; Y1750-T1762 PolarHBondContact OH-OG1 3.05Å; Y1750-M1763 HydrophobicContact CE1-CB 4.35Å; Y1750-M1763 WeakPolarHBondContact OH-CA 3.32Å; Y1750-V1766 HydrophobicContact CE2-CG1 4.24Å; Y1750-V1766 VanDerWaalsContact OH-CB 3.29Å; Y1750-V1766 WeakPolarHBondContact OH-CB 3.33Å; Y1750-V1766 VanDerWaalsContact OH-CG2 3.29Å; Y1750-V1766 WeakPolarHBondContact OH-CG2 3.27Å; Y1750-F1794 AromaticContact CD2-CZ 3.88Å; Y1750-F1794 HydrophobicContact CD2-CZ 3.88Å; Y1750-F1794 HydrophobicContact CE2-CZ 4.06Å
1751S83.8Confident88.3Confident3 Ų327.8 Ų27.82%0.02114%0.138CC..Hα-helixtrans-81.2-29.8179.3-58.70000111.9S1747 R1748 L1749 Y1801 A1802 N1834S1747-S1751 WeakPolarHBondContact O-CB 3.44Å; S1747-S1751 PolarHBondContact O-N 3.41Å; S1747-S1751 PolarHBondContact O-OG 3.24Å; R1748-S1751 PolarHBondContact O-N 2.95Å; L1749-S1751 VanDerWaalsContact C-N 3.29Å; L1749-S1751 PolarHBondContact O-N 3.37Å; S1751-Y1801 WeakPolarHBondContact OG-CB 3.39Å; S1751-A1802 PolarHBondContact OG-N 3.35Å; S1751-N1834 PolarHBondContact O-ND2 3.33Å
1752F79.4Confident88.5Confident26 Ų2627.4 Ų27.411%0.11414%0.136CC..Hα-helixtrans-100.8-44-170.6-137.5-97.4000114.2L1607 W1709 R1748 L1749 M1805 F1812 L1816L1607-F1752 HydrophobicContact CD2-CE1 4.44Å; W1709-F1752 HydrophobicContact CD2-CD1 4.48Å; W1709-F1752 AromaticContact CE3-CD1 3.86Å; W1709-F1752 HydrophobicContact CE3-CD1 3.86Å; W1709-F1752 AromaticContact CE3-CE1 3.93Å; W1709-F1752 HydrophobicContact CE3-CE1 3.93Å; W1709-F1752 HydrophobicContact CZ3-CD1 4.43Å; W1709-F1752 HydrophobicContact CZ3-CE1 4.12Å; R1748-F1752 WeakPolarHBondContact O-CB 3.49Å; R1748-F1752 PolarHBondContact O-N 3.43Å; L1749-F1752 PolarHBondContact O-N 2.93Å; F1752-M1805 HydrophobicContact CD2-CE 3.38Å; F1752-M1805 HydrophobicContact CD2-CG 4.4Å; F1752-M1805 HydrophobicContact CD2-SD 3.36Å; F1752-M1805 WeakPolarHBondContact CD2-SD 3.4Å; F1752-M1805 HydrophobicContact CE2-CE 3.15Å; F1752-M1805 HydrophobicContact CE2-SD 3.35Å; F1752-M1805 WeakPolarHBondContact CE2-SD 3.47Å; F1752-M1805 HydrophobicContact CG-CE 4.44Å; F1752-M1805 HydrophobicContact CZ-CE 4.08Å; F1752-F1812 HydrophobicContact CE2-CD1 4.04Å; F1752-F1812 AromaticContact CE2-CE1 3.87Å; F1752-F1812 HydrophobicContact CE2-CE1 3.87Å; F1752-F1812 HydrophobicContact CE2-CZ 4.16Å; F1752-F1812 AromaticContact CZ-CD1 3.88Å; F1752-F1812 HydrophobicContact CZ-CD1 3.88Å; F1752-F1812 HydrophobicContact CZ-CE1 4.01Å; F1752-L1816 HydrophobicContact CE1-CD1 3.57Å; F1752-L1816 HydrophobicContact CZ-CD1 3.64Å
1753N83.2Confident88.5Confident0 Ų028.6 Ų28.60%014%0.141CC..SBendtrans-119.24.7-165.5-76.4105.7000115.2S1610 L1611 W1709 A1710 L1749S1610-N1753 WeakPolarHBondContact CA-O 3.35Å; L1611-N1753 HydrophobicContact CD1-CB 4.48Å; L1611-N1753 PolarHBondContact N-O 3.27Å; W1709-N1753 WeakPolarHBondContact CB-OD1 3.15Å; A1710-N1753 HydrophobicContact CB-CB 3.85Å; A1710-N1753 VanDerWaalsContact CB-ND2 3.33Å; A1710-N1753 WeakPolarHBondContact CB-ND2 3.39Å; A1710-N1753 PolarHBondContact N-OD1 3.41Å; L1749-N1753 PolarHBondContact O-N 2.88Å
1754V87.5Confident88.7Confident0 Ų034.1 Ų34.10%017%0.165CC..SBendtrans-114.9126.9-177.8-174.10000109.9L1616 Y1750 V1758 R1759L1616-V1754 HydrophobicContact CD1-CG1 4.17Å; L1616-V1754 HydrophobicContact CD1-CG2 4.11Å; L1616-V1754 HydrophobicContact CD2-CG2 3.64Å; L1616-V1754 HydrophobicContact CG-CG2 4.42Å; Y1750-V1754 HydrophobicContact CD1-CB 3.98Å; Y1750-V1754 HydrophobicContact CD1-CG1 3.92Å; Y1750-V1754 HydrophobicContact CD1-CG2 3.93Å; Y1750-V1754 HydrophobicContact CE1-CG1 4.03Å; Y1750-V1754 HydrophobicContact CE1-CG2 4.34Å; Y1750-V1754 HydrophobicContact CG-CG2 4.44Å; V1754-V1758 HydrophobicContact CG1-CB 3.78Å; V1754-V1758 HydrophobicContact CG1-CG1 3.79Å; V1754-R1759 HydrophobicContact CG1-CB 3.98Å
1755D88.3Confident89Confident50 Ų5037.1 Ų37.127%0.26718%0.18SC..  trans-65.5147.4176.5-71-17.6000110.7S1610 E1757 V1758 R1759 R1830S1610-D1755 VanDerWaalsContact CB-CG 3.46Å; S1610-D1755 WeakPolarHBondContact CB-OD2 3.4Å; S1610-D1755 PolarHBondContact OG-N 2.88Å; D1755-E1757 PolarHBondContact O-N 3.27Å; D1755-E1757 VanDerWaalsContact O-N 3.12Å; D1755-V1758 HydrophobicContact CB-CG2 4.38Å; D1755-V1758 PolarHBondContact O-N 2.9Å; D1755-R1759 PolarHBondContact O-N 2.9Å; D1755-R1830 IonicContact OD1-CZ 3.9Å; D1755-R1830 IonicContact OD1-NE 3.87Å; D1755-R1830 PolarHBondContact OD1-NE 3.07Å; D1755-R1830 IonicContact OD1-NH2 3.15Å; D1755-R1830 PolarHBondContact OD1-NH2 3.21Å
1756P86.5Confident89.2Confident10 Ų1037.1 Ų37.17%0.06518%0.18CC..Hα-helixtrans-56.7-35.6-172.7-26.134.7000113.8R1760P1756-R1760 WeakPolarHBondContact O-CD 3.24Å; P1756-R1760 VanDerWaalsContact O-CG 3.23Å; P1756-R1760 WeakPolarHBondContact O-CG 3.31Å; P1756-R1760 PolarHBondContact O-N 3.42Å; P1756-R1760 VanDerWaalsContact O-N 3.1Å
1757E86.7Confident89.3Confident155 Ų15537 Ų3772%0.72418%0.179SC*.Hα-helixtrans-67-45.8177.5-65.8178.2-178.900112D1755 R1760 S1761D1755-E1757 PolarHBondContact O-N 3.27Å; D1755-E1757 VanDerWaalsContact O-N 3.12Å; E1757-R1760 PolarHBondContact O-N 2.82Å; E1757-S1761 PolarHBondContact O-N 3.35Å; E1757-S1761 PolarHBondContact O-OG 2.76Å
1758V89.1Confident89.5Confident39 Ų3940.6 Ų40.624%0.23619%0.192CC..Hα-helixtrans-61.6-48.6176.5-178.60000109.2L1616 V1754 D1755 R1760 S1761 T1762L1616-V1758 HydrophobicContact CD1-CG1 4.11Å; V1754-V1758 HydrophobicContact CG1-CB 3.78Å; V1754-V1758 HydrophobicContact CG1-CG1 3.79Å; D1755-V1758 HydrophobicContact CB-CG2 4.38Å; D1755-V1758 PolarHBondContact O-N 2.9Å; V1758-R1760 PolarHBondContact O-N 2.97Å; V1758-S1761 PolarHBondContact O-N 2.51Å; V1758-S1761 PolarHBondContact O-OG 2.97Å; V1758-T1762 HydrophobicContact CG1-CG2 4.02Å; V1758-T1762 WeakPolarHBondContact O-CG2 3.34Å; V1758-T1762 PolarHBondContact O-N 2.85Å; V1758-T1762 PolarHBondContact O-OG1 3.22Å
1759R90Very high89.8Confident9 Ų944.6 Ų44.63%0.03421%0.208CC..Hα-helixtrans-52.4-53.1177.5175.4174.556.8-127.95.6112.4Y1750 V1754 D1755 S1761 T1762 M1763 G1833 N1834 D1837Y1750-R1759 HydrophobicContact CD1-CB 3.89Å; Y1750-R1759 HydrophobicContact CD1-CG 3.65Å; Y1750-R1759 HydrophobicContact CE1-CB 4.21Å; Y1750-R1759 HydrophobicContact CE1-CG 4.14Å; Y1750-R1759 PolarHBondContact O-NH1 2.57Å; V1754-R1759 HydrophobicContact CG1-CB 3.98Å; D1755-R1759 PolarHBondContact O-N 2.9Å; R1759-S1761 PolarHBondContact O-N 2.78Å; R1759-T1762 PolarHBondContact O-N 3.46Å; R1759-M1763 HydrophobicContact CG-SD 4.27Å; R1759-M1763 VanDerWaalsContact O-CB 3.26Å; R1759-M1763 WeakPolarHBondContact O-CB 3.21Å; R1759-M1763 PolarHBondContact O-N 3.26Å; R1759-G1833 VanDerWaalsContact NH2-C 3.35Å; R1759-G1833 PolarHBondContact NH2-O 2.89Å; R1759-N1834 PolarHBondContact NH1-OD1 3.45Å; R1759-N1834 PolarHBondContact NH2-OD1 3.38Å; R1759-D1837 IonicContact CZ-OD2 3.19Å; R1759-D1837 VanDerWaalsContact CZ-OD2 3.27Å; R1759-D1837 IonicContact NE-OD2 3.46Å; R1759-D1837 PolarHBondContact NE-OD2 3.26Å; R1759-D1837 IonicContact NH2-OD2 3.41Å; R1759-D1837 PolarHBondContact NH2-OD2 3.03Å
1760R88.9Confident90Very high140 Ų14044.8 Ų44.853%0.52821%0.208SC..Hα-helixtrans-58.6-32.8-179.2-70.6167.6-168.2144.15.8112.6P1756 E1757 V1758 D1837P1756-R1760 WeakPolarHBondContact O-CD 3.24Å; P1756-R1760 VanDerWaalsContact O-CG 3.23Å; P1756-R1760 WeakPolarHBondContact O-CG 3.31Å; P1756-R1760 PolarHBondContact O-N 3.42Å; P1756-R1760 VanDerWaalsContact O-N 3.1Å; E1757-R1760 PolarHBondContact O-N 2.82Å; V1758-R1760 PolarHBondContact O-N 2.97Å; R1760-D1837 IonicContact CZ-OD1 3.91Å; R1760-D1837 VanDerWaalsContact CZ-OD1 3.24Å; R1760-D1837 IonicContact NE-OD1 3.01Å; R1760-D1837 PolarHBondContact NE-OD1 2.76Å; R1760-D1837 IonicContact NE-OD2 2.97Å; R1760-D1837 IonicContact NH2-OD1 2.75Å; R1760-D1837 PolarHBondContact NH2-OD1 2.84Å; R1760-D1837 IonicContact NH2-OD2 3.45Å
1761S90.6Very high90.2Very high88 Ų8844.9 Ų44.962%0.61521%0.209SC*.Hα-helixtrans-85.7-26.9-178.672.20000114.6E1757 V1758 R1759E1757-S1761 PolarHBondContact O-N 3.35Å; E1757-S1761 PolarHBondContact O-OG 2.76Å; V1758-S1761 PolarHBondContact O-N 2.51Å; V1758-S1761 PolarHBondContact O-OG 2.97Å; R1759-S1761 PolarHBondContact O-N 2.78Å
1762T92.7Very high90.5Very high5 Ų547.7 Ų47.73%0.03122%0.223CC..Hα-helixtrans-111.2-23.1-170.263.60000115.4K1613 Y1750 V1758 R1759 K1764 E1765 V1766K1613-T1762 HydrophobicContact CB-CG2 3.96Å; K1613-T1762 HydrophobicContact CD-CG2 4.23Å; K1613-T1762 HydrophobicContact CG-CG2 3.95Å; Y1750-T1762 PolarHBondContact OH-OG1 3.05Å; V1758-T1762 HydrophobicContact CG1-CG2 4.02Å; V1758-T1762 WeakPolarHBondContact O-CG2 3.34Å; V1758-T1762 PolarHBondContact O-N 2.85Å; V1758-T1762 PolarHBondContact O-OG1 3.22Å; R1759-T1762 PolarHBondContact O-N 3.46Å; T1762-K1764 PolarHBondContact O-N 3.37Å; T1762-E1765 PolarHBondContact O-N 3.49Å; T1762-E1765 VanDerWaalsContact O-N 3.14Å; T1762-V1766 WeakPolarHBondContact O-CG2 3.23Å; T1762-V1766 PolarHBondContact O-N 3.15Å
1763M92.7Very high90.8Very high27 Ų2748.2 Ų48.213%0.13323%0.226CC..Hα-helixtrans-52.5-50.8-165.4-172.8171.977.800114.3Y1750 R1759 F1767 Y1791 F1794 E1795 T1798Y1750-M1763 HydrophobicContact CE1-CB 4.35Å; Y1750-M1763 WeakPolarHBondContact OH-CA 3.32Å; R1759-M1763 HydrophobicContact CG-SD 4.27Å; R1759-M1763 VanDerWaalsContact O-CB 3.26Å; R1759-M1763 WeakPolarHBondContact O-CB 3.21Å; R1759-M1763 PolarHBondContact O-N 3.26Å; M1763-F1767 WeakPolarHBondContact O-CB 3.39Å; M1763-F1767 PolarHBondContact O-N 2.94Å; M1763-Y1791 WeakPolarHBondContact CE-OH 3.35Å; M1763-F1794 HydrophobicContact CG-CD1 4.45Å; M1763-F1794 HydrophobicContact CG-CE1 3.51Å; M1763-F1794 HydrophobicContact CG-CZ 4.09Å; M1763-F1794 HydrophobicContact SD-CE1 4.35Å; M1763-E1795 HydrophobicContact CE-CB 4.41Å; M1763-E1795 HydrophobicContact CE-CG 3.8Å; M1763-E1795 WeakPolarHBondContact CE-OE1 3.45Å; M1763-T1798 HydrophobicContact SD-CG2 4.16Å
1764K93.3Very high91Very high116 Ų11648.2 Ų48.250%0.50423%0.226SC..Hα-helixtrans-66-38.8-179-168.5172.1-175.5174.20113.3T1762 R1768 F1787 Y1791T1762-K1764 PolarHBondContact O-N 3.37Å; K1764-R1768 WeakPolarHBondContact O-CB 3.45Å; K1764-R1768 PolarHBondContact O-N 2.95Å; K1764-F1787 HydrophobicContact CG-CZ 4.26Å; K1764-Y1791 HydrophobicContact CB-CE2 3.82Å; K1764-Y1791 HydrophobicContact CD-CE1 4.44Å; K1764-Y1791 HydrophobicContact CG-CD2 4.31Å; K1764-Y1791 HydrophobicContact CG-CE1 4.38Å; K1764-Y1791 HydrophobicContact CG-CE2 3.88Å
1765E94.7Very high90.9Very high77 Ų7751.2 Ų51.236%0.3624%0.24SC..Hα-helixtrans-72.2-44.1-179.6-173.5-175.3166.500111.7K1613 T1762 F1767 R1768 R1769K1613-E1765 VanDerWaalsContact CE-CD 3.45Å; K1613-E1765 WeakPolarHBondContact CE-OE1 3.31Å; K1613-E1765 VanDerWaalsContact CE-OE2 3.24Å; K1613-E1765 WeakPolarHBondContact CE-OE2 3.38Å; K1613-E1765 IonicContact NZ-OE1 3.38Å; K1613-E1765 PolarHBondContact NZ-OE1 2.88Å; K1613-E1765 IonicContact NZ-OE2 3.93Å; K1613-E1765 PolarHBondContact NZ-OE2 3.27Å; T1762-E1765 PolarHBondContact O-N 3.49Å; T1762-E1765 VanDerWaalsContact O-N 3.14Å; E1765-F1767 VanDerWaalsContact C-N 3.32Å; E1765-F1767 PolarHBondContact O-N 3.06Å; E1765-R1768 WeakPolarHBondContact O-CB 3.37Å; E1765-R1768 PolarHBondContact O-N 3.5Å; E1765-R1768 VanDerWaalsContact O-N 3.17Å; E1765-R1769 PolarHBondContact O-N 3.33Å
1766V95.1Very high90.5Very high0 Ų054 Ų540%025%0.252CS..Hα-helixtrans-62.3-42.4176.6171.20000110.4L1616 I1617 A1620 L1746 Y1750 T1762 R1768 R1769 Y1770L1616-V1766 HydrophobicContact CB-CG1 4.28Å; L1616-V1766 HydrophobicContact CB-CG2 3.93Å; L1616-V1766 WeakPolarHBondContact O-CG1 3.15Å; I1617-V1766 HydrophobicContact CG1-CG2 4Å; A1620-V1766 HydrophobicContact CB-CG1 3.55Å; L1746-V1766 HydrophobicContact CD1-CG1 4.41Å; L1746-V1766 HydrophobicContact CD2-CG1 4.47Å; Y1750-V1766 HydrophobicContact CE2-CG1 4.24Å; Y1750-V1766 VanDerWaalsContact OH-CB 3.29Å; Y1750-V1766 WeakPolarHBondContact OH-CB 3.33Å; Y1750-V1766 VanDerWaalsContact OH-CG2 3.29Å; Y1750-V1766 WeakPolarHBondContact OH-CG2 3.27Å; T1762-V1766 WeakPolarHBondContact O-CG2 3.23Å; T1762-V1766 PolarHBondContact O-N 3.15Å; V1766-R1768 VanDerWaalsContact C-N 3.35Å; V1766-R1768 PolarHBondContact O-N 2.75Å; V1766-R1769 WeakPolarHBondContact O-CB 3.44Å; V1766-R1769 PolarHBondContact O-N 2.94Å; V1766-Y1770 PolarHBondContact O-N 2.92Å
1767F96Very high90Very high1 Ų154.6 Ų54.60%0.00426%0.255CS..Hα-helixtrans-67.3-33.7175-170.8-97.6000112.8F1742 L1746 M1763 E1765 R1769 Y1770 F1771 F1787 A1790 Y1791 F1794F1742-F1767 HydrophobicContact CD2-CE2 4.29Å; F1742-F1767 HydrophobicContact CD2-CZ 4.38Å; F1742-F1767 AromaticContact CE2-CE2 3.87Å; F1742-F1767 HydrophobicContact CE2-CE2 3.87Å; F1742-F1767 AromaticContact CE2-CZ 3.66Å; F1742-F1767 HydrophobicContact CE2-CZ 3.66Å; L1746-F1767 HydrophobicContact CD2-CD2 4.2Å; M1763-F1767 WeakPolarHBondContact O-CB 3.39Å; M1763-F1767 PolarHBondContact O-N 2.94Å; E1765-F1767 VanDerWaalsContact C-N 3.32Å; E1765-F1767 PolarHBondContact O-N 3.06Å; F1767-R1769 VanDerWaalsContact C-N 3.32Å; F1767-R1769 PolarHBondContact O-N 2.97Å; F1767-Y1770 HydrophobicContact CD2-CD1 4.06Å; F1767-Y1770 AromaticContact CE2-CD1 3.68Å; F1767-Y1770 HydrophobicContact CE2-CD1 3.68Å; F1767-Y1770 HydrophobicContact CE2-CE1 4.07Å; F1767-Y1770 HydrophobicContact CZ-CD1 4.17Å; F1767-Y1770 HydrophobicContact CZ-CE1 4.45Å; F1767-Y1770 WeakPolarHBondContact O-CB 3.07Å; F1767-Y1770 PolarHBondContact O-N 3.07Å; F1767-F1771 HydrophobicContact CE1-CB 4.36Å; F1767-F1771 HydrophobicContact CE1-CD2 4.33Å; F1767-F1771 VanDerWaalsContact O-CB 3.32Å; F1767-F1771 WeakPolarHBondContact O-CB 3.39Å; F1767-F1771 PolarHBondContact O-N 2.74Å; F1767-F1787 HydrophobicContact CD1-CD2 4.38Å; F1767-F1787 AromaticContact CD1-CE2 3.68Å; F1767-F1787 HydrophobicContact CD1-CE2 3.68Å; F1767-F1787 HydrophobicContact CD1-CZ 4.33Å; F1767-F1787 HydrophobicContact CE1-CD2 4.43Å; F1767-F1787 HydrophobicContact CE1-CE2 4.16Å; F1767-A1790 HydrophobicContact CE1-CB 4.05Å; F1767-A1790 HydrophobicContact CZ-CB 4.01Å; F1767-Y1791 HydrophobicContact CB-CD2 4.06Å; F1767-Y1791 HydrophobicContact CB-CE2 4.41Å; F1767-Y1791 AromaticContact CD1-CD2 3.62Å; F1767-Y1791 HydrophobicContact CD1-CD2 3.62Å; F1767-Y1791 HydrophobicContact CD1-CG 4.25Å; F1767-Y1791 HydrophobicContact CE1-CD2 4.41Å; F1767-Y1791 HydrophobicContact CG-CD2 4.02Å; F1767-F1794 HydrophobicContact CB-CD1 3.76Å; F1767-F1794 HydrophobicContact CB-CE1 3.74Å; F1767-F1794 HydrophobicContact CD1-CD1 4.34Å; F1767-F1794 HydrophobicContact CD2-CB 3.79Å; F1767-F1794 AromaticContact CD2-CD1 3.38Å; F1767-F1794 HydrophobicContact CD2-CD1 3.38Å; F1767-F1794 AromaticContact CD2-CD2 3.93Å; F1767-F1794 HydrophobicContact CD2-CD2 3.93Å; F1767-F1794 AromaticContact CD2-CE1 3.88Å; F1767-F1794 HydrophobicContact CD2-CE1 3.88Å; F1767-F1794 HydrophobicContact CD2-CE2 4.39Å; F1767-F1794 AromaticContact CD2-CG 3.4Å; F1767-F1794 HydrophobicContact CD2-CG 3.4Å; F1767-F1794 HydrophobicContact CD2-CZ 4.37Å; F1767-F1794 HydrophobicContact CE1-CB 4.47Å; F1767-F1794 HydrophobicContact CE2-CB 3.55Å; F1767-F1794 HydrophobicContact CE2-CD1 4.08Å; F1767-F1794 HydrophobicContact CE2-CD2 4.16Å; F1767-F1794 AromaticContact CE2-CG 3.66Å; F1767-F1794 HydrophobicContact CE2-CG 3.66Å; F1767-F1794 HydrophobicContact CG-CB 4.36Å; F1767-F1794 AromaticContact CG-CD1 3.54Å; F1767-F1794 HydrophobicContact CG-CD1 3.54Å; F1767-F1794 HydrophobicContact CG-CE1 4.01Å; F1767-F1794 HydrophobicContact CG-CG 4.01Å; F1767-F1794 HydrophobicContact CZ-CB 3.94Å; F1767-F1794 HydrophobicContact CZ-CG 4.46Å
1768R95.1Very high89.8Confident76 Ų7647.2 Ų47.229%0.28722%0.22SC..Hα-helixtrans-58.4-44.9170.9-17668.7-117.2-178.2-3111.3K1764 E1765 V1766 F1771 D1772 F1787K1764-R1768 WeakPolarHBondContact O-CB 3.45Å; K1764-R1768 PolarHBondContact O-N 2.95Å; E1765-R1768 WeakPolarHBondContact O-CB 3.37Å; E1765-R1768 PolarHBondContact O-N 3.5Å; E1765-R1768 VanDerWaalsContact O-N 3.17Å; V1766-R1768 VanDerWaalsContact C-N 3.35Å; V1766-R1768 PolarHBondContact O-N 2.75Å; R1768-F1771 VanDerWaalsContact NH2-CD1 3.28Å; R1768-F1771 PolarHBondContact O-N 3.34Å; R1768-D1772 WeakPolarHBondContact CG-OD2 3.4Å; R1768-D1772 IonicContact CZ-OD1 3.45Å; R1768-D1772 VanDerWaalsContact NE-CG 3.28Å; R1768-D1772 IonicContact NE-OD1 2.75Å; R1768-D1772 PolarHBondContact NE-OD1 2.87Å; R1768-D1772 IonicContact NE-OD2 2.72Å; R1768-D1772 PolarHBondContact NE-OD2 3.42Å; R1768-D1772 VanDerWaalsContact NE-OD2 3.08Å; R1768-D1772 IonicContact NH2-OD1 3.7Å; R1768-D1772 PolarHBondContact NH2-OD1 3.15Å; R1768-D1772 WeakPolarHBondContact O-CB 3.44Å; R1768-D1772 VanDerWaalsContact O-CG 3.28Å; R1768-D1772 PolarHBondContact O-N 2.81Å; R1768-D1772 VanDerWaalsContact O-OD2 3.1Å; R1768-F1787 HydrophobicContact CB-CE2 3.93Å; R1768-F1787 HydrophobicContact CB-CZ 4.11Å; R1768-F1787 HydrophobicContact CG-CE2 4.41Å
1769R93.3Very high89.3Confident115 Ų11547.6 Ų47.643%0.43422%0.224SC..Hα-helixtrans-61.8-45175.8-66.3-60.8-171.8124.9-3.9112.6I1617 E1765 V1766 F1767 K1773I1617-R1769 HydrophobicContact CG2-CG 4.3Å; E1765-R1769 PolarHBondContact O-N 3.33Å; V1766-R1769 WeakPolarHBondContact O-CB 3.44Å; V1766-R1769 PolarHBondContact O-N 2.94Å; F1767-R1769 VanDerWaalsContact C-N 3.32Å; F1767-R1769 PolarHBondContact O-N 2.97Å; R1769-K1773 WeakPolarHBondContact O-CB 3.37Å; R1769-K1773 PolarHBondContact O-N 3.05Å; R1769-K1773 VanDerWaalsContact O-N 3.08Å
1770Y94.1Very high88.7Confident3 Ų358.2 Ų58.21%0.01226%0.264CS..Hα-helixtrans-55.5-50.8172.1169.8-88.8000111.3A1620 L1623 A1624 Q1627 F1742 V1766 F1767 K1773 M1774A1620-Y1770 WeakPolarHBondContact O-CD2 3.47Å; L1623-Y1770 HydrophobicContact CB-CD2 4.44Å; L1623-Y1770 HydrophobicContact CB-CE2 4.31Å; A1624-Y1770 HydrophobicContact CB-CD2 3.69Å; A1624-Y1770 HydrophobicContact CB-CE2 3.9Å; A1624-Y1770 HydrophobicContact CB-CG 4.35Å; Q1627-Y1770 VanDerWaalsContact OE1-CE2 3.25Å; Q1627-Y1770 VanDerWaalsContact OE1-CZ 3.23Å; Q1627-Y1770 PolarHBondContact OE1-OH 3.04Å; F1742-Y1770 WeakPolarHBondContact CB-OH 3.29Å; F1742-Y1770 AromaticContact CD2-CE1 3.99Å; F1742-Y1770 HydrophobicContact CD2-CE1 3.99Å; V1766-Y1770 PolarHBondContact O-N 2.92Å; F1767-Y1770 HydrophobicContact CD2-CD1 4.06Å; F1767-Y1770 AromaticContact CE2-CD1 3.68Å; F1767-Y1770 HydrophobicContact CE2-CD1 3.68Å; F1767-Y1770 HydrophobicContact CE2-CE1 4.07Å; F1767-Y1770 HydrophobicContact CZ-CD1 4.17Å; F1767-Y1770 HydrophobicContact CZ-CE1 4.45Å; F1767-Y1770 WeakPolarHBondContact O-CB 3.07Å; F1767-Y1770 PolarHBondContact O-N 3.07Å; Y1770-K1773 PolarHBondContact O-N 3.35Å; Y1770-M1774 HydrophobicContact CD1-CG 4.26Å; Y1770-M1774 HydrophobicContact CE1-CG 3.65Å; Y1770-M1774 HydrophobicContact CE2-CG 4.01Å; Y1770-M1774 VanDerWaalsContact CZ-CG 3.48Å; Y1770-M1774 WeakPolarHBondContact O-CG 3.43Å; Y1770-M1774 PolarHBondContact O-N 3.43Å
1771F93Very high88.4Confident3 Ų353.2 Ų53.21%0.01325%0.249CC..Hα-helixtrans-64.8-45.3-176.2-174.7-82000112.3F1767 R1768 K1773 M1774 Q1775 M1782 V1785 F1787 A1790F1767-F1771 HydrophobicContact CE1-CB 4.36Å; F1767-F1771 HydrophobicContact CE1-CD2 4.33Å; F1767-F1771 VanDerWaalsContact O-CB 3.32Å; F1767-F1771 WeakPolarHBondContact O-CB 3.39Å; F1767-F1771 PolarHBondContact O-N 2.74Å; R1768-F1771 VanDerWaalsContact NH2-CD1 3.28Å; R1768-F1771 PolarHBondContact O-N 3.34Å; F1771-K1773 VanDerWaalsContact C-N 3.29Å; F1771-K1773 PolarHBondContact O-N 2.98Å; F1771-M1774 PolarHBondContact O-N 2.83Å; F1771-Q1775 WeakPolarHBondContact O-CB 3.43Å; F1771-Q1775 PolarHBondContact O-N 2.79Å; F1771-M1782 HydrophobicContact CD2-CE 3.74Å; F1771-M1782 HydrophobicContact CE2-CE 3.48Å; F1771-M1782 VanDerWaalsContact CE2-CE 3.48Å; F1771-M1782 HydrophobicContact CG-CE 4.39Å; F1771-M1782 HydrophobicContact CZ-CE 3.94Å; F1771-V1785 HydrophobicContact CE2-CG1 3.98Å; F1771-V1785 HydrophobicContact CZ-CG1 4.43Å; F1771-V1785 WeakPolarHBondContact CZ-O 3.12Å; F1771-F1787 HydrophobicContact CB-CD2 3.94Å; F1771-F1787 HydrophobicContact CB-CE2 4.31Å; F1771-F1787 HydrophobicContact CD1-CB 4.31Å; F1771-F1787 HydrophobicContact CD1-CD2 4.04Å; F1771-F1787 HydrophobicContact CD2-CD2 4.19Å; F1771-F1787 HydrophobicContact CE1-CB 4.11Å; F1771-F1787 HydrophobicContact CE2-CB 4.48Å; F1771-F1787 AromaticContact CG-CD2 3.78Å; F1771-F1787 HydrophobicContact CG-CD2 3.78Å; F1771-F1787 HydrophobicContact CZ-CB 4.2Å; F1771-A1790 HydrophobicContact CD2-CB 3.81Å; F1771-A1790 HydrophobicContact CE2-CB 3.68Å
1772D91.1Very high88.3Confident61 Ų6149 Ų4933%0.32622%0.22SC..Hα-helixtrans-58.1-43.7175.5-75.3-36.1000111.4R1768 Q1775 M1776R1768-D1772 WeakPolarHBondContact CG-OD2 3.4Å; R1768-D1772 IonicContact CZ-OD1 3.45Å; R1768-D1772 VanDerWaalsContact NE-CG 3.28Å; R1768-D1772 IonicContact NE-OD1 2.75Å; R1768-D1772 PolarHBondContact NE-OD1 2.87Å; R1768-D1772 IonicContact NE-OD2 2.72Å; R1768-D1772 PolarHBondContact NE-OD2 3.42Å; R1768-D1772 VanDerWaalsContact NE-OD2 3.08Å; R1768-D1772 IonicContact NH2-OD1 3.7Å; R1768-D1772 PolarHBondContact NH2-OD1 3.15Å; R1768-D1772 WeakPolarHBondContact O-CB 3.44Å; R1768-D1772 VanDerWaalsContact O-CG 3.28Å; R1768-D1772 PolarHBondContact O-N 2.81Å; R1768-D1772 VanDerWaalsContact O-OD2 3.1Å; D1772-Q1775 PolarHBondContact O-N 3.2Å; D1772-M1776 WeakPolarHBondContact O-CB 3.45Å; D1772-M1776 PolarHBondContact O-N 2.92Å
1773K85.2Confident87.8Confident37 Ų3753.9 Ų53.916%0.16125%0.246CC..Hα-helixtrans-67.2-44.3178.4-16277.2172.3-172.20110.8C1560 A1624 R1769 Y1770 F1771 Q1775 M1776 L1777C1560-K1773 PolarHBondContact SG-NZ 2.87Å; A1624-K1773 HydrophobicContact CB-CB 3.74Å; A1624-K1773 HydrophobicContact CB-CG 3.92Å; R1769-K1773 WeakPolarHBondContact O-CB 3.37Å; R1769-K1773 PolarHBondContact O-N 3.05Å; R1769-K1773 VanDerWaalsContact O-N 3.08Å; Y1770-K1773 PolarHBondContact O-N 3.35Å; F1771-K1773 VanDerWaalsContact C-N 3.29Å; F1771-K1773 PolarHBondContact O-N 2.98Å; K1773-Q1775 VanDerWaalsContact C-N 3.35Å; K1773-Q1775 PolarHBondContact O-N 2.85Å; K1773-M1776 PolarHBondContact O-N 3.31Å; K1773-L1777 HydrophobicContact CG-CD1 3.94Å; K1773-L1777 WeakPolarHBondContact O-CB 3.43Å; K1773-L1777 WeakPolarHBondContact O-CG 3.33Å; K1773-L1777 PolarHBondContact O-N 3.24Å
1774M86.8Confident87.3Confident0 Ų057.6 Ų57.60%027%0.274CS..Hα-helixtrans-58.8-44.1173-80-68.9-77.500112.1A1624 Q1627 A1628 L1631 Y1770 F1771 M1776 L1777 A1778 M1782A1624-M1774 HydrophobicContact CB-CG 3.84Å; A1624-M1774 HydrophobicContact CB-SD 4.31Å; Q1627-M1774 HydrophobicContact CB-CE 4.27Å; Q1627-M1774 HydrophobicContact CB-SD 4.07Å; A1628-M1774 HydrophobicContact CB-SD 3.86Å; A1628-M1774 PolarHBondContact N-SD 3.33Å; L1631-M1774 HydrophobicContact CD1-CE 3.57Å; Y1770-M1774 HydrophobicContact CD1-CG 4.26Å; Y1770-M1774 HydrophobicContact CE1-CG 3.65Å; Y1770-M1774 HydrophobicContact CE2-CG 4.01Å; Y1770-M1774 VanDerWaalsContact CZ-CG 3.48Å; Y1770-M1774 WeakPolarHBondContact O-CG 3.43Å; Y1770-M1774 PolarHBondContact O-N 3.43Å; F1771-M1774 PolarHBondContact O-N 2.83Å; M1774-M1776 VanDerWaalsContact C-N 3.33Å; M1774-M1776 PolarHBondContact O-N 2.99Å; M1774-L1777 PolarHBondContact O-N 3.21Å; M1774-A1778 PolarHBondContact O-N 2.84Å; M1774-M1782 HydrophobicContact CB-CE 3.87Å; M1774-M1782 HydrophobicContact CB-CG 4.14Å; M1774-M1782 HydrophobicContact CB-SD 4.2Å; M1774-M1782 HydrophobicContact CE-SD 4.2Å
1775Q86Confident87.1Confident63 Ų6352.8 Ų52.829%0.29425%0.254SS..Hα-helixtrans-64.2-38.7179.3-169.7172.522.800112.1F1771 D1772 K1773 P1779 M1782F1771-Q1775 WeakPolarHBondContact O-CB 3.43Å; F1771-Q1775 PolarHBondContact O-N 2.79Å; D1772-Q1775 PolarHBondContact O-N 3.2Å; K1773-Q1775 VanDerWaalsContact C-N 3.35Å; K1773-Q1775 PolarHBondContact O-N 2.85Å; Q1775-P1779 WeakPolarHBondContact O-CA 3.29Å; Q1775-P1779 WeakPolarHBondContact O-CB 3.4Å; Q1775-M1782 HydrophobicContact CB-CB 4.18Å; Q1775-M1782 HydrophobicContact CG-CB 4.27Å
1776M80.5Confident86.9Confident109 Ų10952 Ų5254%0.53726%0.258SS..Hα-helixtrans-65.7-39.9174.5-176.7-169.8-61.400112.5D1772 K1773 M1774D1772-M1776 WeakPolarHBondContact O-CB 3.45Å; D1772-M1776 PolarHBondContact O-N 2.92Å; K1773-M1776 PolarHBondContact O-N 3.31Å; M1774-M1776 VanDerWaalsContact C-N 3.33Å; M1774-M1776 PolarHBondContact O-N 2.99Å
1777L76.1Confident86.8Confident22 Ų2253.3 Ų53.312%0.11526%0.263CS..Hα-helixtrans-91.4-33.7-170.7-63-179.8000113.8K1564 V1625 A1628 N1632 K1773 M1774 P1779K1564-L1777 VanDerWaalsContact NZ-CD2 3.34Å; V1625-L1777 HydrophobicContact CB-CD1 4.39Å; V1625-L1777 HydrophobicContact CG2-CD1 3.8Å; A1628-L1777 HydrophobicContact CB-CB 3.48Å; A1628-L1777 VanDerWaalsContact CB-CB 3.48Å; A1628-L1777 HydrophobicContact CB-CD1 4.19Å; N1632-L1777 PolarHBondContact ND2-O 3.18Å; K1773-L1777 HydrophobicContact CG-CD1 3.94Å; K1773-L1777 WeakPolarHBondContact O-CB 3.43Å; K1773-L1777 WeakPolarHBondContact O-CG 3.33Å; K1773-L1777 PolarHBondContact O-N 3.24Å; M1774-L1777 PolarHBondContact O-N 3.21Å; L1777-P1779 WeakPolarHBondContact O-CD 3.45Å
1778A81.8Confident86.5Confident0 Ų058.7 Ų58.70%029%0.292CS..  trans-124.657.2178.300000111.5A1628 L1631 M1774 R1780 T1781 M1782A1628-A1778 HydrophobicContact CB-CB 4.09Å; L1631-A1778 HydrophobicContact CB-CB 4.33Å; L1631-A1778 HydrophobicContact CD1-CB 4.11Å; M1774-A1778 PolarHBondContact O-N 2.84Å; A1778-R1780 PolarHBondContact O-N 3.07Å; A1778-T1781 PolarHBondContact O-N 3.1Å; A1778-M1782 HydrophobicContact CB-CG 4.38Å; A1778-M1782 WeakPolarHBondContact O-CB 3.08Å; A1778-M1782 WeakPolarHBondContact O-CG 3.19Å; A1778-M1782 PolarHBondContact O-N 3.33Å
1779P78.2Confident86.3Confident48 Ų4861.3 Ų61.331%0.31230%0.302SS..Hα-helixtrans-61.7-30.8-172.624.4-34.5000113.2Q1775 L1777 T1781 M1782 N1783Q1775-P1779 WeakPolarHBondContact O-CA 3.29Å; Q1775-P1779 WeakPolarHBondContact O-CB 3.4Å; L1777-P1779 WeakPolarHBondContact O-CD 3.45Å; P1779-T1781 VanDerWaalsContact C-N 3.28Å; P1779-T1781 PolarHBondContact O-N 3.47Å; P1779-M1782 PolarHBondContact O-N 3.32Å; P1779-N1783 WeakPolarHBondContact O-CB 3.43Å; P1779-N1783 PolarHBondContact O-N 3.16Å; P1779-N1783 PolarHBondContact O-ND2 2.67Å
1780R78.2Confident86.1Confident231 Ų23155.9 Ų55.987%0.87228%0.281SS*.Hα-helixtrans-57.9-41.8179-69.9-176.8179.5176.10.6112.2A1778A1778-R1780 PolarHBondContact O-N 3.07Å
1781T82.9Confident86.1Confident35 Ų3556.9 Ų56.922%0.21529%0.285CS..Hα-helixtrans-86.7-39.7180-52.10000111L1631 I1699 P1700 A1778 P1779 S1784L1631-T1781 HydrophobicContact CD1-CG2 4.2Å; L1631-T1781 HydrophobicContact CD2-CG2 4.46Å; I1699-T1781 HydrophobicContact CG2-CG2 4.49Å; P1700-T1781 HydrophobicContact CG-CG2 4.21Å; A1778-T1781 PolarHBondContact O-N 3.1Å; P1779-T1781 VanDerWaalsContact C-N 3.28Å; P1779-T1781 PolarHBondContact O-N 3.47Å; T1781-S1784 PolarHBondContact O-OG 3.17Å
1782M87.1Confident86Confident0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-84.8-22.4-168.8-68.2-61.3-63.200114.9I1699 F1771 M1774 Q1775 A1778 P1779 S1784 V1785I1699-M1782 HydrophobicContact CD1-CE 3.9Å; I1699-M1782 HydrophobicContact CD1-SD 3.49Å; I1699-M1782 WeakPolarHBondContact CD1-SD 3.48Å; I1699-M1782 HydrophobicContact CG1-SD 4.08Å; F1771-M1782 HydrophobicContact CD2-CE 3.74Å; F1771-M1782 HydrophobicContact CE2-CE 3.48Å; F1771-M1782 VanDerWaalsContact CE2-CE 3.48Å; F1771-M1782 HydrophobicContact CG-CE 4.39Å; F1771-M1782 HydrophobicContact CZ-CE 3.94Å; M1774-M1782 HydrophobicContact CB-CE 3.87Å; M1774-M1782 HydrophobicContact CB-CG 4.14Å; M1774-M1782 HydrophobicContact CB-SD 4.2Å; M1774-M1782 HydrophobicContact CE-SD 4.2Å; Q1775-M1782 HydrophobicContact CB-CB 4.18Å; Q1775-M1782 HydrophobicContact CG-CB 4.27Å; A1778-M1782 HydrophobicContact CB-CG 4.38Å; A1778-M1782 WeakPolarHBondContact O-CB 3.08Å; A1778-M1782 WeakPolarHBondContact O-CG 3.19Å; A1778-M1782 PolarHBondContact O-N 3.33Å; P1779-M1782 PolarHBondContact O-N 3.32Å; M1782-S1784 PolarHBondContact O-N 2.88Å; M1782-V1785 WeakPolarHBondContact O-CB 3.27Å; M1782-V1785 PolarHBondContact O-N 3.48Å
1783N82.4Confident85.9Confident108 Ų10856.1 Ų56.158%0.57829%0.289SS*.THydrogen-bonded Turntrans-64.7-24.6-176.3-78.4-13.4000114.1P1779 V1785P1779-N1783 WeakPolarHBondContact O-CB 3.43Å; P1779-N1783 PolarHBondContact O-N 3.16Å; P1779-N1783 PolarHBondContact O-ND2 2.67Å; N1783-V1785 VanDerWaalsContact C-N 3.34Å
1784S82.4Confident86.2Confident105 Ų10554.3 Ų54.373%0.73428%0.281SS*.THydrogen-bonded Turntrans-86.8-6175.258.80000113.2T1781 M1782T1781-S1784 PolarHBondContact O-OG 3.17Å; M1782-S1784 PolarHBondContact O-N 2.88Å
1785V88.9Confident86.4Confident14 Ų1457.1 Ų57.19%0.08529%0.294CS..  trans-96.6125.9-175.9-176.40000109.1V1698 I1699 F1771 M1782 N1783 A1790V1698-V1785 HydrophobicContact CG1-CG1 3.56Å; V1698-V1785 WeakPolarHBondContact O-CG2 3.38Å; I1699-V1785 HydrophobicContact CG1-CG1 4.4Å; I1699-V1785 HydrophobicContact CG1-CG2 4.15Å; F1771-V1785 HydrophobicContact CE2-CG1 3.98Å; F1771-V1785 HydrophobicContact CZ-CG1 4.43Å; F1771-V1785 WeakPolarHBondContact CZ-O 3.12Å; M1782-V1785 WeakPolarHBondContact O-CB 3.27Å; M1782-V1785 PolarHBondContact O-N 3.48Å; N1783-V1785 VanDerWaalsContact C-N 3.34Å; V1785-A1790 HydrophobicContact CG1-CB 4.04Å
1786S90Very high86.5Confident62 Ų6257.8 Ų57.843%0.43429%0.294SS..  trans-83.1143.2171.468.80000110.9D1788 R1789 A1790S1786-D1788 VanDerWaalsContact C-N 3.33Å; S1786-D1788 PolarHBondContact O-N 3.18Å; S1786-R1789 PolarHBondContact O-N 2.91Å; S1786-R1789 WeakPolarHBondContact OG-CB 3.42Å; S1786-R1789 PolarHBondContact OG-N 3.48Å; S1786-A1790 PolarHBondContact O-N 3.43Å; S1786-A1790 VanDerWaalsContact O-N 3.09Å
1787F93Very high86.9Confident26 Ų2653.1 Ų53.111%0.11427%0.273CS..Hα-helixtrans-56.6-45.9177.2170.8-101.3000112.4K1764 F1767 R1768 F1771 R1789 A1790 Y1791K1764-F1787 HydrophobicContact CG-CZ 4.26Å; F1767-F1787 HydrophobicContact CD1-CD2 4.38Å; F1767-F1787 AromaticContact CD1-CE2 3.68Å; F1767-F1787 HydrophobicContact CD1-CE2 3.68Å; F1767-F1787 HydrophobicContact CD1-CZ 4.33Å; F1767-F1787 HydrophobicContact CE1-CD2 4.43Å; F1767-F1787 HydrophobicContact CE1-CE2 4.16Å; R1768-F1787 HydrophobicContact CB-CE2 3.93Å; R1768-F1787 HydrophobicContact CB-CZ 4.11Å; R1768-F1787 HydrophobicContact CG-CE2 4.41Å; F1771-F1787 HydrophobicContact CB-CD2 3.94Å; F1771-F1787 HydrophobicContact CB-CE2 4.31Å; F1771-F1787 HydrophobicContact CD1-CB 4.31Å; F1771-F1787 HydrophobicContact CD1-CD2 4.04Å; F1771-F1787 HydrophobicContact CD2-CD2 4.19Å; F1771-F1787 HydrophobicContact CE1-CB 4.11Å; F1771-F1787 HydrophobicContact CE2-CB 4.48Å; F1771-F1787 AromaticContact CG-CD2 3.78Å; F1771-F1787 HydrophobicContact CG-CD2 3.78Å; F1771-F1787 HydrophobicContact CZ-CB 4.2Å; F1787-R1789 VanDerWaalsContact C-N 3.25Å; F1787-R1789 PolarHBondContact O-N 3.39Å; F1787-A1790 PolarHBondContact O-N 3.32Å; F1787-Y1791 HydrophobicContact CZ-CD2 4.33Å; F1787-Y1791 HydrophobicContact CZ-CG 4.31Å; F1787-Y1791 VanDerWaalsContact O-CB 3.28Å; F1787-Y1791 WeakPolarHBondContact O-CB 3.34Å; F1787-Y1791 PolarHBondContact O-N 2.86Å
1788D91.2Very high87.5Confident114 Ų11452.3 Ų52.361%0.6127%0.269SS*.Hα-helixtrans-62.4-35.9-177.4-61.9-47.5000111.9S1786 G1792S1786-D1788 VanDerWaalsContact C-N 3.33Å; S1786-D1788 PolarHBondContact O-N 3.18Å; D1788-G1792 PolarHBondContact O-N 2.77Å
1789R89.5Confident87.9Confident132 Ų13252.9 Ų52.950%0.49827%0.273SS..Hα-helixtrans-70.2-43176.9-170.2174.8-177.1-155.8-9.2111.7K1697 V1698 S1786 F1787 V1793K1697-R1789 PolarHBondContact O-NH2 2.91Å; V1698-R1789 HydrophobicContact CG1-CG 4.26Å; V1698-R1789 HydrophobicContact CG2-CG 4.01Å; S1786-R1789 PolarHBondContact O-N 2.91Å; S1786-R1789 WeakPolarHBondContact OG-CB 3.42Å; S1786-R1789 PolarHBondContact OG-N 3.48Å; F1787-R1789 VanDerWaalsContact C-N 3.25Å; F1787-R1789 PolarHBondContact O-N 3.39Å; R1789-V1793 PolarHBondContact O-N 3.47Å
1790A90.4Very high88.3Confident0 Ų050.9 Ų50.90%026%0.259CS..Hα-helixtrans-67.8-40.6176.700000112.1V1698 F1742 F1767 F1771 V1785 S1786 F1787 V1793 F1794V1698-A1790 HydrophobicContact CG1-CB 4.43Å; F1742-A1790 HydrophobicContact CE2-CB 4.42Å; F1742-A1790 HydrophobicContact CZ-CB 4.17Å; F1767-A1790 HydrophobicContact CE1-CB 4.05Å; F1767-A1790 HydrophobicContact CZ-CB 4.01Å; F1771-A1790 HydrophobicContact CD2-CB 3.81Å; F1771-A1790 HydrophobicContact CE2-CB 3.68Å; V1785-A1790 HydrophobicContact CG1-CB 4.04Å; S1786-A1790 PolarHBondContact O-N 3.43Å; S1786-A1790 VanDerWaalsContact O-N 3.09Å; F1787-A1790 PolarHBondContact O-N 3.32Å; A1790-V1793 PolarHBondContact O-N 2.98Å; A1790-F1794 PolarHBondContact O-N 3.41Å
1791Y93.7Very high88.6Confident25 Ų2540.9 Ų40.910%0.09822%0.222CC..Hα-helixtrans-64.9-40.2176.5-180-101000111.5M1763 K1764 F1767 F1787 V1793 F1794 E1795M1763-Y1791 WeakPolarHBondContact CE-OH 3.35Å; K1764-Y1791 HydrophobicContact CB-CE2 3.82Å; K1764-Y1791 HydrophobicContact CD-CE1 4.44Å; K1764-Y1791 HydrophobicContact CG-CD2 4.31Å; K1764-Y1791 HydrophobicContact CG-CE1 4.38Å; K1764-Y1791 HydrophobicContact CG-CE2 3.88Å; F1767-Y1791 HydrophobicContact CB-CD2 4.06Å; F1767-Y1791 HydrophobicContact CB-CE2 4.41Å; F1767-Y1791 AromaticContact CD1-CD2 3.62Å; F1767-Y1791 HydrophobicContact CD1-CD2 3.62Å; F1767-Y1791 HydrophobicContact CD1-CG 4.25Å; F1767-Y1791 HydrophobicContact CE1-CD2 4.41Å; F1767-Y1791 HydrophobicContact CG-CD2 4.02Å; F1787-Y1791 HydrophobicContact CZ-CD2 4.33Å; F1787-Y1791 HydrophobicContact CZ-CG 4.31Å; F1787-Y1791 VanDerWaalsContact O-CB 3.28Å; F1787-Y1791 WeakPolarHBondContact O-CB 3.34Å; F1787-Y1791 PolarHBondContact O-N 2.86Å; Y1791-V1793 VanDerWaalsContact C-N 3.29Å; Y1791-V1793 PolarHBondContact O-N 3.5Å; Y1791-F1794 HydrophobicContact CD2-CD1 4.11Å; Y1791-F1794 HydrophobicContact CE2-CD1 4.15Å; Y1791-F1794 PolarHBondContact O-N 3.2Å; Y1791-F1794 VanDerWaalsContact O-N 3.13Å; Y1791-E1795 HydrophobicContact CE1-CB 4.31Å; Y1791-E1795 WeakPolarHBondContact CE1-OE1 3.33Å; Y1791-E1795 WeakPolarHBondContact O-CB 3.41Å; Y1791-E1795 PolarHBondContact O-N 3.36Å; Y1791-E1795 PolarHBondContact OH-OE1 3.01Å
1792G90Very high88.8Confident29 Ų2939.4 Ų39.430%0.29921%0.213SC..Hα-helixtrans-60.3-36.5174.800000113.4D1788 R1796D1788-G1792 PolarHBondContact O-N 2.77Å; G1792-R1796 VanDerWaalsContact O-CB 3.27Å; G1792-R1796 WeakPolarHBondContact O-CB 3.37Å; G1792-R1796 PolarHBondContact O-N 3.11Å
1793V89.5Confident88.8Confident18 Ų1839.4 Ų39.411%0.10921%0.213CC..Hα-helixtrans-67.8-43.6172.4171.70000111.1V1698 F1742 A1743 R1789 A1790 Y1791 R1796 A1797V1698-V1793 HydrophobicContact CG2-CG2 3.88Å; F1742-V1793 HydrophobicContact CE1-CG1 4.07Å; F1742-V1793 HydrophobicContact CZ-CB 4.06Å; F1742-V1793 HydrophobicContact CZ-CG1 3.89Å; A1743-V1793 HydrophobicContact CB-CG1 4.48Å; R1789-V1793 PolarHBondContact O-N 3.47Å; A1790-V1793 PolarHBondContact O-N 2.98Å; Y1791-V1793 VanDerWaalsContact C-N 3.29Å; Y1791-V1793 PolarHBondContact O-N 3.5Å; V1793-R1796 PolarHBondContact O-N 3.03Å; V1793-A1797 WeakPolarHBondContact O-CB 3.43Å; V1793-A1797 PolarHBondContact O-N 3.42Å
1794F92.2Very high88.6Confident0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-64.8-44.2179.2169.7-113.7000113.3A1743 L1746 Y1750 M1763 F1767 A1790 Y1791 R1796 A1797 T1798A1743-F1794 HydrophobicContact CB-CB 4.24Å; A1743-F1794 HydrophobicContact CB-CD2 4.14Å; L1746-F1794 HydrophobicContact CB-CE2 3.84Å; L1746-F1794 HydrophobicContact CB-CZ 4.49Å; L1746-F1794 HydrophobicContact CD2-CE1 4.49Å; L1746-F1794 HydrophobicContact CD2-CE2 3.75Å; L1746-F1794 HydrophobicContact CD2-CZ 3.73Å; L1746-F1794 HydrophobicContact CG-CE2 3.72Å; L1746-F1794 HydrophobicContact CG-CZ 3.86Å; Y1750-F1794 AromaticContact CD2-CZ 3.88Å; Y1750-F1794 HydrophobicContact CD2-CZ 3.88Å; Y1750-F1794 HydrophobicContact CE2-CZ 4.06Å; M1763-F1794 HydrophobicContact CG-CD1 4.45Å; M1763-F1794 HydrophobicContact CG-CE1 3.51Å; M1763-F1794 HydrophobicContact CG-CZ 4.09Å; M1763-F1794 HydrophobicContact SD-CE1 4.35Å; F1767-F1794 HydrophobicContact CB-CD1 3.76Å; F1767-F1794 HydrophobicContact CB-CE1 3.74Å; F1767-F1794 HydrophobicContact CD1-CD1 4.34Å; F1767-F1794 HydrophobicContact CD2-CB 3.79Å; F1767-F1794 AromaticContact CD2-CD1 3.38Å; F1767-F1794 HydrophobicContact CD2-CD1 3.38Å; F1767-F1794 AromaticContact CD2-CD2 3.93Å; F1767-F1794 HydrophobicContact CD2-CD2 3.93Å; F1767-F1794 AromaticContact CD2-CE1 3.88Å; F1767-F1794 HydrophobicContact CD2-CE1 3.88Å; F1767-F1794 HydrophobicContact CD2-CE2 4.39Å; F1767-F1794 AromaticContact CD2-CG 3.4Å; F1767-F1794 HydrophobicContact CD2-CG 3.4Å; F1767-F1794 HydrophobicContact CD2-CZ 4.37Å; F1767-F1794 HydrophobicContact CE1-CB 4.47Å; F1767-F1794 HydrophobicContact CE2-CB 3.55Å; F1767-F1794 HydrophobicContact CE2-CD1 4.08Å; F1767-F1794 HydrophobicContact CE2-CD2 4.16Å; F1767-F1794 AromaticContact CE2-CG 3.66Å; F1767-F1794 HydrophobicContact CE2-CG 3.66Å; F1767-F1794 HydrophobicContact CG-CB 4.36Å; F1767-F1794 AromaticContact CG-CD1 3.54Å; F1767-F1794 HydrophobicContact CG-CD1 3.54Å; F1767-F1794 HydrophobicContact CG-CE1 4.01Å; F1767-F1794 HydrophobicContact CG-CG 4.01Å; F1767-F1794 HydrophobicContact CZ-CB 3.94Å; F1767-F1794 HydrophobicContact CZ-CG 4.46Å; A1790-F1794 PolarHBondContact O-N 3.41Å; Y1791-F1794 HydrophobicContact CD2-CD1 4.11Å; Y1791-F1794 HydrophobicContact CE2-CD1 4.15Å; Y1791-F1794 PolarHBondContact O-N 3.2Å; Y1791-F1794 VanDerWaalsContact O-N 3.13Å; F1794-R1796 VanDerWaalsContact C-N 3.33Å; F1794-R1796 PolarHBondContact O-N 3.04Å; F1794-A1797 PolarHBondContact O-N 3.15Å; F1794-T1798 WeakPolarHBondContact CE2-OG1 3.5Å; F1794-T1798 WeakPolarHBondContact O-CB 3.36Å; F1794-T1798 PolarHBondContact O-N 3.17Å; F1794-T1798 PolarHBondContact O-OG1 3.49Å
1795E90.9Very high88.5Confident58 Ų5831 Ų3127%0.27116%0.159SC..Hα-helixtrans-64-39.3178.3-172.1168.9-113.900111.5M1763 Y1791 S1799 F1841M1763-E1795 HydrophobicContact CE-CB 4.41Å; M1763-E1795 HydrophobicContact CE-CG 3.8Å; M1763-E1795 WeakPolarHBondContact CE-OE1 3.45Å; Y1791-E1795 HydrophobicContact CE1-CB 4.31Å; Y1791-E1795 WeakPolarHBondContact CE1-OE1 3.33Å; Y1791-E1795 WeakPolarHBondContact O-CB 3.41Å; Y1791-E1795 PolarHBondContact O-N 3.36Å; Y1791-E1795 PolarHBondContact OH-OE1 3.01Å; E1795-S1799 WeakPolarHBondContact O-CB 3.44Å; E1795-S1799 PolarHBondContact O-N 2.89Å; E1795-S1799 PolarHBondContact O-OG 3.08Å; E1795-F1841 HydrophobicContact CB-CE2 4.29Å; E1795-F1841 HydrophobicContact CG-CD2 3.88Å; E1795-F1841 HydrophobicContact CG-CE2 3.7Å
1796R88.7Confident88.2Confident77 Ų7730.3 Ų30.329%0.29116%0.155SC..Hα-helixtrans-65.9-48.1173.7-175.7178.1-68.6-93.7-0.5112.2E1691 G1792 V1793 F1794 T1798 S1799 Y1800 F1841E1691-R1796 IonicContact OE1-NH1 2.85Å; E1691-R1796 PolarHBondContact OE1-NH1 2.62Å; E1691-R1796 WeakPolarHBondContact OE2-CD 3.26Å; E1691-R1796 IonicContact OE2-CZ 3.68Å; E1691-R1796 IonicContact OE2-NE 3.1Å; E1691-R1796 IonicContact OE2-NH1 2.6Å; E1691-R1796 PolarHBondContact OE2-NH1 2.7Å; G1792-R1796 VanDerWaalsContact O-CB 3.27Å; G1792-R1796 WeakPolarHBondContact O-CB 3.37Å; G1792-R1796 PolarHBondContact O-N 3.11Å; V1793-R1796 PolarHBondContact O-N 3.03Å; F1794-R1796 VanDerWaalsContact C-N 3.33Å; F1794-R1796 PolarHBondContact O-N 3.04Å; R1796-T1798 PolarHBondContact O-N 3.26Å; R1796-S1799 PolarHBondContact O-N 3.4Å; R1796-Y1800 PolarHBondContact O-N 2.78Å; R1796-F1841 HydrophobicContact CB-CE1 3.97Å; R1796-F1841 HydrophobicContact CB-CZ 3.77Å; R1796-F1841 HydrophobicContact CG-CE1 4.06Å; R1796-F1841 HydrophobicContact CG-CZ 4.28Å
1797A87.3Confident87.5Confident12 Ų1227.4 Ų27.410%0.09913%0.134CC..Hα-helixtrans-59.5-46.6176.600000111.1A1743 V1793 F1794 S1799 Y1800 Y1801A1743-A1797 HydrophobicContact CB-CB 3.87Å; V1793-A1797 WeakPolarHBondContact O-CB 3.43Å; V1793-A1797 PolarHBondContact O-N 3.42Å; F1794-A1797 PolarHBondContact O-N 3.15Å; A1797-S1799 VanDerWaalsContact C-N 3.32Å; A1797-S1799 PolarHBondContact O-N 2.88Å; A1797-Y1800 WeakPolarHBondContact O-CB 3.48Å; A1797-Y1800 PolarHBondContact O-N 2.81Å; A1797-Y1800 VanDerWaalsContact O-N 3.07Å; A1797-Y1801 WeakPolarHBondContact O-CD2 3.37Å; A1797-Y1801 PolarHBondContact O-N 2.84Å
1798T89.8Confident86.7Confident5 Ų527 Ų273%0.03113%0.133CC..Hα-helixtrans-57.9-44.7176.4-58.70000111.5S1747 M1763 F1794 R1796 Y1800 Y1801 A1802S1747-T1798 PolarHBondContact OG-N 3.29Å; S1747-T1798 PolarHBondContact OG-OG1 2.98Å; S1747-T1798 VanDerWaalsContact OG-OG1 3.12Å; M1763-T1798 HydrophobicContact SD-CG2 4.16Å; F1794-T1798 WeakPolarHBondContact CE2-OG1 3.5Å; F1794-T1798 WeakPolarHBondContact O-CB 3.36Å; F1794-T1798 PolarHBondContact O-N 3.17Å; F1794-T1798 PolarHBondContact O-OG1 3.49Å; R1796-T1798 PolarHBondContact O-N 3.26Å; T1798-Y1800 VanDerWaalsContact C-N 3.29Å; T1798-Y1800 PolarHBondContact O-N 2.65Å; T1798-Y1801 PolarHBondContact O-N 3.27Å; T1798-A1802 WeakPolarHBondContact O-CB 3.48Å; T1798-A1802 PolarHBondContact O-N 3.42Å
1799S89.6Confident86.2Confident12 Ų1221.6 Ų21.68%0.08410%0.104CC..Hα-helixtrans-64.1-34.8176.6-58.80000112.3E1795 R1796 A1797 A1802 L1803 A1838 F1841E1795-S1799 WeakPolarHBondContact O-CB 3.44Å; E1795-S1799 PolarHBondContact O-N 2.89Å; E1795-S1799 PolarHBondContact O-OG 3.08Å; R1796-S1799 PolarHBondContact O-N 3.4Å; A1797-S1799 VanDerWaalsContact C-N 3.32Å; A1797-S1799 PolarHBondContact O-N 2.88Å; S1799-A1802 WeakPolarHBondContact O-CB 3.48Å; S1799-L1803 WeakPolarHBondContact O-CG 3.42Å; S1799-L1803 PolarHBondContact O-N 3.08Å; S1799-L1803 VanDerWaalsContact O-N 3.17Å; S1799-A1838 WeakPolarHBondContact O-CB 3.17Å; S1799-F1841 WeakPolarHBondContact OG-CG 3.31Å
1800Y86.2Confident85.6Confident5 Ų518.6 Ų18.62%0.029%0.094CC..Hα-helixtrans-70.1-48.9176.7-161.9-82.8000112.4L1685 K1688 L1692 R1796 A1797 T1798 A1802 L1803 M1804L1685-Y1800 HydrophobicContact CD2-CD1 4.09Å; L1685-Y1800 HydrophobicContact CD2-CD2 4.23Å; L1685-Y1800 HydrophobicContact CD2-CE1 3.63Å; L1685-Y1800 HydrophobicContact CD2-CE2 3.81Å; L1685-Y1800 HydrophobicContact CD2-CG 4.37Å; L1685-Y1800 VanDerWaalsContact CD2-CZ 3.49Å; L1685-Y1800 PolarHBondContact O-OH 2.95Å; K1688-Y1800 VanDerWaalsContact CB-OH 3.25Å; K1688-Y1800 WeakPolarHBondContact CB-OH 3.22Å; L1692-Y1800 HydrophobicContact CD1-CD1 3.87Å; L1692-Y1800 HydrophobicContact CD1-CE1 3.5Å; L1692-Y1800 HydrophobicContact CD2-CD1 4.06Å; L1692-Y1800 HydrophobicContact CD2-CG 4.33Å; L1692-Y1800 HydrophobicContact CG-CD1 4.13Å; L1692-Y1800 HydrophobicContact CG-CE1 4.15Å; L1692-Y1800 HydrophobicContact CG-CG 4.42Å; R1796-Y1800 PolarHBondContact O-N 2.78Å; A1797-Y1800 WeakPolarHBondContact O-CB 3.48Å; A1797-Y1800 PolarHBondContact O-N 2.81Å; A1797-Y1800 VanDerWaalsContact O-N 3.07Å; T1798-Y1800 VanDerWaalsContact C-N 3.29Å; T1798-Y1800 PolarHBondContact O-N 2.65Å; Y1800-A1802 PolarHBondContact O-N 2.62Å; Y1800-L1803 PolarHBondContact O-N 3.37Å; Y1800-L1803 VanDerWaalsContact O-N 3.12Å; Y1800-M1804 HydrophobicContact CD1-CG 4.05Å; Y1800-M1804 HydrophobicContact CD1-SD 3.71Å; Y1800-M1804 HydrophobicContact CE1-CG 3.94Å; Y1800-M1804 HydrophobicContact CE1-SD 3.63Å; Y1800-M1804 PolarHBondContact O-N 3.23Å
1801Y85.4Confident84.7Confident22 Ų2221.4 Ų21.49%0.08611%0.107CC..Hα-helixtrans-61.4-34.5174.6-77.7-76.2000111.9E1744 S1751 A1797 T1798 M1804 M1805E1744-Y1801 HydrophobicContact CG-CE2 4.35Å; E1744-Y1801 WeakPolarHBondContact CG-OH 3.36Å; E1744-Y1801 PolarHBondContact OE1-OH 3.17Å; E1744-Y1801 VanDerWaalsContact OE1-OH 3.05Å; E1744-Y1801 PolarHBondContact OE2-OH 3.06Å; S1751-Y1801 WeakPolarHBondContact OG-CB 3.39Å; A1797-Y1801 WeakPolarHBondContact O-CD2 3.37Å; A1797-Y1801 PolarHBondContact O-N 2.84Å; T1798-Y1801 PolarHBondContact O-N 3.27Å; Y1801-M1804 HydrophobicContact CD1-SD 4.21Å; Y1801-M1804 HydrophobicContact CE1-SD 4.47Å; Y1801-M1804 PolarHBondContact O-N 2.52Å; Y1801-M1805 WeakPolarHBondContact O-CG 3.15Å; Y1801-M1805 PolarHBondContact O-N 3.15Å
1802A87.3Confident83.7Confident4 Ų423.3 Ų23.33%0.03312%0.116CC..Hα-helixtrans-59.7-44172.500000112.3S1751 T1798 S1799 Y1800 M1805 V1806 N1834 A1838S1751-A1802 PolarHBondContact OG-N 3.35Å; T1798-A1802 WeakPolarHBondContact O-CB 3.48Å; T1798-A1802 PolarHBondContact O-N 3.42Å; S1799-A1802 WeakPolarHBondContact O-CB 3.48Å; Y1800-A1802 PolarHBondContact O-N 2.62Å; A1802-M1805 PolarHBondContact O-N 3.09Å; A1802-V1806 WeakPolarHBondContact O-CG2 3.43Å; A1802-V1806 PolarHBondContact O-N 2.91Å; A1802-N1834 HydrophobicContact CB-CB 3.75Å; A1802-A1838 HydrophobicContact CB-CB 4.18Å
1803L86Confident83Confident0 Ų022 Ų220%010%0.103CC..Hα-helixtrans-67.1-40.5174.5-68.2-176000112.3V1681 T1684 L1685 S1799 Y1800 M1805 V1806 T1807 Y1835 A1838 F1842 F1844V1681-L1803 HydrophobicContact CG1-CB 4.47Å; V1681-L1803 HydrophobicContact CG2-CD2 4.14Å; T1684-L1803 HydrophobicContact CG2-CD1 3.78Å; L1685-L1803 HydrophobicContact CD1-CB 4.37Å; L1685-L1803 HydrophobicContact CD2-CB 3.91Å; L1685-L1803 HydrophobicContact CG-CB 4.22Å; S1799-L1803 WeakPolarHBondContact O-CG 3.42Å; S1799-L1803 PolarHBondContact O-N 3.08Å; S1799-L1803 VanDerWaalsContact O-N 3.17Å; Y1800-L1803 PolarHBondContact O-N 3.37Å; Y1800-L1803 VanDerWaalsContact O-N 3.12Å; L1803-M1805 VanDerWaalsContact C-N 3.27Å; L1803-M1805 PolarHBondContact O-N 2.77Å; L1803-V1806 WeakPolarHBondContact O-CB 3.45Å; L1803-V1806 PolarHBondContact O-N 2.95Å; L1803-V1806 VanDerWaalsContact O-N 3.1Å; L1803-T1807 PolarHBondContact O-N 3.36Å; L1803-T1807 VanDerWaalsContact O-N 3.17Å; L1803-T1807 PolarHBondContact O-OG1 2.86Å; L1803-Y1835 HydrophobicContact CD2-CD2 4.23Å; L1803-A1838 HydrophobicContact CD2-CB 3.63Å; L1803-A1838 HydrophobicContact CG-CB 3.75Å; L1803-F1842 HydrophobicContact CD1-CD2 3.8Å; L1803-F1842 HydrophobicContact CD1-CE2 3.7Å; L1803-F1842 HydrophobicContact CG-CE2 4.41Å; L1803-F1844 HydrophobicContact CD1-CZ 4.32Å; L1803-F1844 HydrophobicContact CD2-CZ 4.34Å
1804M78.9Confident82.2Confident15 Ų1525.4 Ų25.47%0.07412%0.117CC..Hα-helixtrans-59.4-39.2175.6-70.3177.663.900112.1F1651 L1685 Y1800 Y1801 V1806 T1807 F1808F1651-M1804 HydrophobicContact CD1-CE 3.3Å; F1651-M1804 HydrophobicContact CE1-CE 3.29Å; F1651-M1804 HydrophobicContact CE2-CE 4.49Å; F1651-M1804 HydrophobicContact CG-CE 3.98Å; F1651-M1804 HydrophobicContact CZ-CE 3.94Å; L1685-M1804 HydrophobicContact CD2-CG 3.89Å; Y1800-M1804 HydrophobicContact CD1-CG 4.05Å; Y1800-M1804 HydrophobicContact CD1-SD 3.71Å; Y1800-M1804 HydrophobicContact CE1-CG 3.94Å; Y1800-M1804 HydrophobicContact CE1-SD 3.63Å; Y1800-M1804 PolarHBondContact O-N 3.23Å; Y1801-M1804 HydrophobicContact CD1-SD 4.21Å; Y1801-M1804 HydrophobicContact CE1-SD 4.47Å; Y1801-M1804 PolarHBondContact O-N 2.52Å; M1804-V1806 VanDerWaalsContact C-N 3.29Å; M1804-V1806 PolarHBondContact O-N 2.8Å; M1804-T1807 WeakPolarHBondContact O-CB 3.4Å; M1804-T1807 PolarHBondContact O-N 2.96Å; M1804-F1808 VanDerWaalsContact O-CD2 3.32Å; M1804-F1808 WeakPolarHBondContact O-CD2 3.34Å; M1804-F1808 PolarHBondContact O-N 3.5Å
1805M79.5Confident80.9Confident21 Ų2127.6 Ų27.610%0.10314%0.135CC..Hα-helixtrans-62.4-36.4175.6-78.2-54.6-56.400113.1F1752 Y1801 A1802 L1803 T1807 S1809 F1812F1752-M1805 HydrophobicContact CD2-CE 3.38Å; F1752-M1805 HydrophobicContact CD2-CG 4.4Å; F1752-M1805 HydrophobicContact CD2-SD 3.36Å; F1752-M1805 WeakPolarHBondContact CD2-SD 3.4Å; F1752-M1805 HydrophobicContact CE2-CE 3.15Å; F1752-M1805 HydrophobicContact CE2-SD 3.35Å; F1752-M1805 WeakPolarHBondContact CE2-SD 3.47Å; F1752-M1805 HydrophobicContact CG-CE 4.44Å; F1752-M1805 HydrophobicContact CZ-CE 4.08Å; Y1801-M1805 WeakPolarHBondContact O-CG 3.15Å; Y1801-M1805 PolarHBondContact O-N 3.15Å; A1802-M1805 PolarHBondContact O-N 3.09Å; L1803-M1805 VanDerWaalsContact C-N 3.27Å; L1803-M1805 PolarHBondContact O-N 2.77Å; M1805-T1807 VanDerWaalsContact C-N 3.33Å; M1805-S1809 PolarHBondContact O-N 2.8Å; M1805-F1812 HydrophobicContact CE-CD2 3.51Å; M1805-F1812 HydrophobicContact CE-CE2 3.68Å; M1805-F1812 HydrophobicContact CE-CG 3.99Å; M1805-F1812 HydrophobicContact CE-CZ 4.31Å; M1805-F1812 HydrophobicContact SD-CD2 3.99Å; M1805-F1812 HydrophobicContact SD-CE2 3.48Å; M1805-F1812 WeakPolarHBondContact SD-CE2 3.42Å; M1805-F1812 HydrophobicContact SD-CZ 3.9Å
1806V82.6Confident79.9Confident0 Ų026.1 Ų26.10%013%0.129CC..Hα-helixtrans-66.1-39.2177.1176.40000110.3L1662 V1676 A1802 L1803 M1804 F1808 S1809 I1831L1662-V1806 HydrophobicContact CD1-CG1 3.73Å; L1662-V1806 WeakPolarHBondContact CD1-O 3.37Å; V1676-V1806 HydrophobicContact CB-CG1 4.49Å; V1676-V1806 HydrophobicContact CG1-CG1 3.77Å; V1676-V1806 HydrophobicContact CG2-CG1 3.86Å; A1802-V1806 WeakPolarHBondContact O-CG2 3.43Å; A1802-V1806 PolarHBondContact O-N 2.91Å; L1803-V1806 WeakPolarHBondContact O-CB 3.45Å; L1803-V1806 PolarHBondContact O-N 2.95Å; L1803-V1806 VanDerWaalsContact O-N 3.1Å; M1804-V1806 VanDerWaalsContact C-N 3.29Å; M1804-V1806 PolarHBondContact O-N 2.8Å; V1806-F1808 PolarHBondContact O-N 3.02Å; V1806-S1809 WeakPolarHBondContact O-CB 3.45Å; V1806-S1809 PolarHBondContact O-N 3.18Å; V1806-S1809 PolarHBondContact O-OG 2.94Å; V1806-I1831 HydrophobicContact CB-CG2 4.26Å; V1806-I1831 HydrophobicContact CG2-CG2 3.81Å
1807T76.7Confident78.9Confident0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-58.1-46.1177.9-56.90000113.7V1658 L1685 L1803 M1804 M1805V1658-T1807 HydrophobicContact CB-CG2 3.82Å; V1658-T1807 HydrophobicContact CG1-CG2 3.65Å; V1658-T1807 HydrophobicContact CG2-CG2 3.59Å; L1685-T1807 WeakPolarHBondContact CD1-OG1 3.41Å; L1803-T1807 PolarHBondContact O-N 3.36Å; L1803-T1807 VanDerWaalsContact O-N 3.17Å; L1803-T1807 PolarHBondContact O-OG1 2.86Å; M1804-T1807 WeakPolarHBondContact O-CB 3.4Å; M1804-T1807 PolarHBondContact O-N 2.96Å; M1805-T1807 VanDerWaalsContact C-N 3.33Å
1808F75.2Confident77.8Confident18 Ų1828.8 Ų28.88%0.07914%0.138CC..THydrogen-bonded Turntrans-99.121.8-174.9-59.2-69.9000113.2F1654 M1804 V1806 K1810 Q1811 F1812F1654-F1808 HydrophobicContact CB-CZ 3.99Å; F1654-F1808 AromaticContact CD1-CE1 3.8Å; F1654-F1808 HydrophobicContact CD1-CE1 3.8Å; F1654-F1808 AromaticContact CD1-CZ 3.94Å; F1654-F1808 HydrophobicContact CD1-CZ 3.94Å; F1654-F1808 HydrophobicContact CG-CZ 4.43Å; M1804-F1808 VanDerWaalsContact O-CD2 3.32Å; M1804-F1808 WeakPolarHBondContact O-CD2 3.34Å; M1804-F1808 PolarHBondContact O-N 3.5Å; V1806-F1808 PolarHBondContact O-N 3.02Å; F1808-K1810 VanDerWaalsContact C-N 3.27Å; F1808-K1810 PolarHBondContact O-N 3.42Å; F1808-Q1811 PolarHBondContact O-N 2.79Å; F1808-Q1811 VanDerWaalsContact O-N 3.14Å; F1808-Q1811 PolarHBondContact O-OE1 2.81Å; F1808-F1812 HydrophobicContact CB-CD2 3.56Å; F1808-F1812 HydrophobicContact CB-CE2 3.46Å; F1808-F1812 VanDerWaalsContact CB-CE2 3.46Å; F1808-F1812 HydrophobicContact CB-CZ 4.4Å; F1808-F1812 HydrophobicContact CD2-CE2 4.39Å; F1808-F1812 HydrophobicContact CG-CE2 4.33Å; F1808-F1812 WeakPolarHBondContact O-CD2 3.25Å; F1808-F1812 PolarHBondContact O-N 3.4Å
1809S80Confident76.6Confident0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-58.9-37.1-171.742.10000112.7S1665 M1805 V1806 I1813S1665-S1809 WeakPolarHBondContact CB-OG 3.39Å; S1665-S1809 PolarHBondContact OG-OG 2.91Å; M1805-S1809 PolarHBondContact O-N 2.8Å; V1806-S1809 WeakPolarHBondContact O-CB 3.45Å; V1806-S1809 PolarHBondContact O-N 3.18Å; V1806-S1809 PolarHBondContact O-OG 2.94Å; S1809-I1813 WeakPolarHBondContact O-CB 3.38Å; S1809-I1813 VanDerWaalsContact O-CD1 3.31Å; S1809-I1813 WeakPolarHBondContact O-CD1 3.48Å; S1809-I1813 WeakPolarHBondContact O-CG1 3Å; S1809-I1813 PolarHBondContact O-N 3.06Å
1810K77.3Confident75.8Confident69 Ų6934.6 Ų34.630%0.318%0.183SC..Hα-helixtrans-60.4-54.7172.1-179.3-174.2171.1-166.10112.8S1665 K1668 Y1669 F1808 F1812 I1813 E1814S1665-K1810 WeakPolarHBondContact OG-CB 3.3Å; S1665-K1810 PolarHBondContact OG-N 3.41Å; S1665-K1810 VanDerWaalsContact OG-N 3.08Å; K1668-K1810 HydrophobicContact CD-CD 4.48Å; K1668-K1810 HydrophobicContact CD-CG 4.26Å; Y1669-K1810 HydrophobicContact CE2-CB 4.42Å; F1808-K1810 VanDerWaalsContact C-N 3.27Å; F1808-K1810 PolarHBondContact O-N 3.42Å; K1810-F1812 VanDerWaalsContact C-N 3.3Å; K1810-F1812 PolarHBondContact O-N 3.02Å; K1810-I1813 PolarHBondContact O-N 2.92Å; K1810-E1814 WeakPolarHBondContact CE-OE1 3.48Å; K1810-E1814 WeakPolarHBondContact CE-OE2 3.29Å; K1810-E1814 HydrophobicContact CG-CG 4.43Å; K1810-E1814 WeakPolarHBondContact CG-OE1 3.4Å; K1810-E1814 WeakPolarHBondContact O-CB 3.23Å; K1810-E1814 WeakPolarHBondContact O-CG 3.28Å; K1810-E1814 PolarHBondContact O-N 2.97Å
1811Q72.5Confident75.3Confident60 Ų6038.9 Ų38.928%0.2821%0.212SC..Hα-helixtrans-60.7-42.9-177.2-64.384.5-12.500110.6D1661 F1808 A1815D1661-Q1811 PolarHBondContact OD1-NE2 2.81Å; F1808-Q1811 PolarHBondContact O-N 2.79Å; F1808-Q1811 VanDerWaalsContact O-N 3.14Å; F1808-Q1811 PolarHBondContact O-OE1 2.81Å; Q1811-A1815 WeakPolarHBondContact O-CB 3.3Å; Q1811-A1815 PolarHBondContact O-N 3.47Å
1812F72.6Confident74.9Confident65 Ų6541.3 Ų41.329%0.28523%0.232SC..Hα-helixtrans-65.3-45178.5-76.9-56.1000113.1F1752 M1805 F1808 K1810 A1815 L1816F1752-F1812 HydrophobicContact CE2-CD1 4.04Å; F1752-F1812 AromaticContact CE2-CE1 3.87Å; F1752-F1812 HydrophobicContact CE2-CE1 3.87Å; F1752-F1812 HydrophobicContact CE2-CZ 4.16Å; F1752-F1812 AromaticContact CZ-CD1 3.88Å; F1752-F1812 HydrophobicContact CZ-CD1 3.88Å; F1752-F1812 HydrophobicContact CZ-CE1 4.01Å; M1805-F1812 HydrophobicContact CE-CD2 3.51Å; M1805-F1812 HydrophobicContact CE-CE2 3.68Å; M1805-F1812 HydrophobicContact CE-CG 3.99Å; M1805-F1812 HydrophobicContact CE-CZ 4.31Å; M1805-F1812 HydrophobicContact SD-CD2 3.99Å; M1805-F1812 HydrophobicContact SD-CE2 3.48Å; M1805-F1812 WeakPolarHBondContact SD-CE2 3.42Å; M1805-F1812 HydrophobicContact SD-CZ 3.9Å; F1808-F1812 HydrophobicContact CB-CD2 3.56Å; F1808-F1812 HydrophobicContact CB-CE2 3.46Å; F1808-F1812 VanDerWaalsContact CB-CE2 3.46Å; F1808-F1812 HydrophobicContact CB-CZ 4.4Å; F1808-F1812 HydrophobicContact CD2-CE2 4.39Å; F1808-F1812 HydrophobicContact CG-CE2 4.33Å; F1808-F1812 WeakPolarHBondContact O-CD2 3.25Å; F1808-F1812 PolarHBondContact O-N 3.4Å; K1810-F1812 VanDerWaalsContact C-N 3.3Å; K1810-F1812 PolarHBondContact O-N 3.02Å; F1812-A1815 PolarHBondContact O-N 3.18Å; F1812-L1816 VanDerWaalsContact O-CB 3.29Å; F1812-L1816 WeakPolarHBondContact O-CB 3.33Å; F1812-L1816 WeakPolarHBondContact O-CG 3.27Å; F1812-L1816 PolarHBondContact O-N 3.3Å
1813I75.9Confident74.4Confident2 Ų241.9 Ų41.91%0.0124%0.235CC..Hα-helixtrans-65.9-44179.2-70164.7000110.5Y1669 S1809 K1810 A1815 L1816 A1817 E1824 L1827 L1828 I1831Y1669-I1813 HydrophobicContact CD2-CD1 3.98Å; Y1669-I1813 HydrophobicContact CE1-CD1 4.48Å; Y1669-I1813 HydrophobicContact CE1-CG2 4.4Å; Y1669-I1813 HydrophobicContact CE2-CB 4.42Å; Y1669-I1813 HydrophobicContact CE2-CD1 3.58Å; Y1669-I1813 VanDerWaalsContact OH-CG2 3.27Å; Y1669-I1813 WeakPolarHBondContact OH-CG2 3.49Å; S1809-I1813 WeakPolarHBondContact O-CB 3.38Å; S1809-I1813 VanDerWaalsContact O-CD1 3.31Å; S1809-I1813 WeakPolarHBondContact O-CD1 3.48Å; S1809-I1813 WeakPolarHBondContact O-CG1 3Å; S1809-I1813 PolarHBondContact O-N 3.06Å; K1810-I1813 PolarHBondContact O-N 2.92Å; I1813-A1815 VanDerWaalsContact C-N 3.3Å; I1813-A1815 PolarHBondContact O-N 2.79Å; I1813-L1816 PolarHBondContact O-N 2.89Å; I1813-A1817 HydrophobicContact CG2-CB 4.08Å; I1813-A1817 WeakPolarHBondContact O-CA 3.36Å; I1813-A1817 WeakPolarHBondContact O-CB 3.04Å; I1813-A1817 PolarHBondContact O-N 2.73Å; I1813-E1824 HydrophobicContact CG2-CB 4.22Å; I1813-E1824 HydrophobicContact CG2-CG 3.7Å; I1813-L1827 HydrophobicContact CG1-CB 4.32Å; I1813-L1828 HydrophobicContact CD1-CD1 4.39Å; I1813-L1828 HydrophobicContact CD1-CD2 3.31Å; I1813-L1828 HydrophobicContact CD1-CG 3.57Å; I1813-I1831 HydrophobicContact CD1-CD1 4.16Å; I1813-I1831 HydrophobicContact CG1-CD1 4.35Å
1814E71.6Confident74.2Confident89 Ų8944.5 Ų44.542%0.41625%0.247SC..Hα-helixtrans-63.5-38.9178.3-72.4173.9174.500111.5K1668 K1810K1668-E1814 IonicContact NZ-OE1 2.85Å; K1668-E1814 PolarHBondContact NZ-OE1 3.16Å; K1810-E1814 WeakPolarHBondContact CE-OE1 3.48Å; K1810-E1814 WeakPolarHBondContact CE-OE2 3.29Å; K1810-E1814 HydrophobicContact CG-CG 4.43Å; K1810-E1814 WeakPolarHBondContact CG-OE1 3.4Å; K1810-E1814 WeakPolarHBondContact O-CB 3.23Å; K1810-E1814 WeakPolarHBondContact O-CG 3.28Å; K1810-E1814 PolarHBondContact O-N 2.97Å
1815A65.7Low74.4Confident45 Ų4545.8 Ų45.837%0.37226%0.261SS..Hα-helixtrans-75.4-26.3179.300000114.3Q1811 F1812 I1813 Y1818Q1811-A1815 WeakPolarHBondContact O-CB 3.3Å; Q1811-A1815 PolarHBondContact O-N 3.47Å; F1812-A1815 PolarHBondContact O-N 3.18Å; I1813-A1815 VanDerWaalsContact C-N 3.3Å; I1813-A1815 PolarHBondContact O-N 2.79Å; A1815-Y1818 WeakPolarHBondContact O-CE2 3.36Å; A1815-Y1818 PolarHBondContact O-OH 3.44Å
1816L68.3Low74.5Confident28 Ų2846.5 Ų46.515%0.14727%0.266CS..Hα-helixtrans-114.5-31-171.8-64176.6000114.4L1607 W1709 F1752 F1812 I1813 L1827L1607-L1816 HydrophobicContact CD1-CB 3.94Å; L1607-L1816 HydrophobicContact CD1-CD1 4.38Å; L1607-L1816 HydrophobicContact CD1-CD2 4.22Å; L1607-L1816 HydrophobicContact CD1-CG 4.42Å; L1607-L1816 HydrophobicContact CD2-CD1 4.45Å; W1709-L1816 HydrophobicContact CH2-CD2 4.33Å; F1752-L1816 HydrophobicContact CE1-CD1 3.57Å; F1752-L1816 HydrophobicContact CZ-CD1 3.64Å; F1812-L1816 VanDerWaalsContact O-CB 3.29Å; F1812-L1816 WeakPolarHBondContact O-CB 3.33Å; F1812-L1816 WeakPolarHBondContact O-CG 3.27Å; F1812-L1816 PolarHBondContact O-N 3.3Å; I1813-L1816 PolarHBondContact O-N 2.89Å; L1816-L1827 HydrophobicContact CB-CD1 4.1Å
1817A67.8Low74.7Confident5 Ų547.1 Ų47.14%0.04127%0.269CS..Hα-helixtrans-81.5-26.4-178.300000112.3I1813 G1819 N1820 T1823 E1824I1813-A1817 HydrophobicContact CG2-CB 4.08Å; I1813-A1817 WeakPolarHBondContact O-CA 3.36Å; I1813-A1817 WeakPolarHBondContact O-CB 3.04Å; I1813-A1817 PolarHBondContact O-N 2.73Å; A1817-G1819 PolarHBondContact O-N 2.97Å; A1817-G1819 VanDerWaalsContact O-N 3.09Å; A1817-N1820 WeakPolarHBondContact O-CB 3.41Å; A1817-N1820 PolarHBondContact O-N 3.22Å; A1817-T1823 HydrophobicContact CB-CG2 4.4Å; A1817-E1824 HydrophobicContact CB-CB 4.01Å
1818Y64.1Low75.1Confident139 Ų13947.2 Ų47.255%0.54527%0.27SS..THydrogen-bonded Turntrans47.737.4-178.3-66.5-79.4000113.7G1009 A1815 N1820G1009-Y1818 VanDerWaalsContact C-OH 3.22Å; G1009-Y1818 WeakPolarHBondContact CA-OH 3.36Å; G1009-Y1818 WeakPolarHBondContact O-CE2 3.45Å; G1009-Y1818 PolarHBondContact O-OH 3.38Å; G1009-Y1818 VanDerWaalsContact O-OH 3.08Å; A1815-Y1818 WeakPolarHBondContact O-CE2 3.36Å; A1815-Y1818 PolarHBondContact O-OH 3.44Å; Y1818-N1820 VanDerWaalsContact C-N 3.27Å; Y1818-N1820 PolarHBondContact O-N 2.76Å
1819G66.2Low75.7Confident64 Ų6450.9 Ų50.966%0.6629%0.29SS*.THydrogen-bonded Turntrans74.87.7-177.700000115.1A1817 P1821A1817-G1819 PolarHBondContact O-N 2.97Å; A1817-G1819 VanDerWaalsContact O-N 3.09Å; G1819-P1821 WeakPolarHBondContact O-CD 3.44Å
1820N71.4Confident76.1Confident75 Ų7551 Ų5140%0.40129%0.291SS..  trans-75.9110.1169.5-173.8-37.1000109.8A1817 Y1818 S1822 T1823 E1824A1817-N1820 WeakPolarHBondContact O-CB 3.41Å; A1817-N1820 PolarHBondContact O-N 3.22Å; Y1818-N1820 VanDerWaalsContact C-N 3.27Å; Y1818-N1820 PolarHBondContact O-N 2.76Å; N1820-S1822 PolarHBondContact O-N 3.49Å; N1820-S1822 WeakPolarHBondContact OD1-CB 3.01Å; N1820-S1822 PolarHBondContact OD1-N 2.78Å; N1820-T1823 PolarHBondContact O-N 3.4Å; N1820-T1823 PolarHBondContact OD1-N 2.64Å; N1820-E1824 PolarHBondContact O-N 2.8Å
1821P76.9Confident76.6Confident96 Ų9648 Ų4862%0.62328%0.278SS*.Hα-helixtrans-65.3-26.4-174.7-20.634.3000113.3G1819 A1825G1819-P1821 WeakPolarHBondContact O-CD 3.44Å; P1821-A1825 WeakPolarHBondContact O-CB 3.39Å; P1821-A1825 PolarHBondContact O-N 2.99Å
1822S76.6Confident77.4Confident72 Ų7245.6 Ų45.650%0.50327%0.268SS..Hα-helixtrans-73-44.1-179.8-51.90000111N1820 A1825 V1826N1820-S1822 PolarHBondContact O-N 3.49Å; N1820-S1822 WeakPolarHBondContact OD1-CB 3.01Å; N1820-S1822 PolarHBondContact OD1-N 2.78Å; S1822-A1825 PolarHBondContact O-N 2.89Å; S1822-V1826 WeakPolarHBondContact O-CG2 3.32Å; S1822-V1826 PolarHBondContact O-N 2.93Å; S1822-V1826 VanDerWaalsContact O-N 3.14Å
1823T75.5Confident78.1Confident17 Ų1742.7 Ų42.710%0.10426%0.256CS..Hα-helixtrans-64.4-42.7174.5-47.60000111L1607 M1608 A1817 N1820 A1825 V1826 L1827L1607-T1823 HydrophobicContact CB-CG2 4.42Å; M1608-T1823 WeakPolarHBondContact SD-CA 3Å; M1608-T1823 HydrophobicContact SD-CG2 4.12Å; M1608-T1823 PolarHBondContact SD-OG1 2.81Å; M1608-T1823 VanDerWaalsContact SD-OG1 3.39Å; A1817-T1823 HydrophobicContact CB-CG2 4.4Å; N1820-T1823 PolarHBondContact O-N 3.4Å; N1820-T1823 PolarHBondContact OD1-N 2.64Å; T1823-A1825 PolarHBondContact O-N 3.46Å; T1823-V1826 PolarHBondContact O-N 3.36Å; T1823-L1827 HydrophobicContact CG2-CD1 4.13Å; T1823-L1827 HydrophobicContact CG2-CG 4.44Å; T1823-L1827 WeakPolarHBondContact O-CB 3.34Å; T1823-L1827 VanDerWaalsContact O-CG 3.29Å; T1823-L1827 WeakPolarHBondContact O-CG 2.82Å; T1823-L1827 PolarHBondContact O-N 3.05Å
1824E82.1Confident78.7Confident54 Ų5442.6 Ų42.625%0.25226%0.256SS..Hα-helixtrans-57.3-47.3175.2176.7172.1157.700111.9Y1669 I1813 A1817 N1820 V1826 L1827 L1828Y1669-E1824 WeakPolarHBondContact CE1-OE1 3.38Å; I1813-E1824 HydrophobicContact CG2-CB 4.22Å; I1813-E1824 HydrophobicContact CG2-CG 3.7Å; A1817-E1824 HydrophobicContact CB-CB 4.01Å; N1820-E1824 PolarHBondContact O-N 2.8Å; E1824-V1826 PolarHBondContact O-N 3.49Å; E1824-L1827 PolarHBondContact O-N 2.91Å; E1824-L1828 HydrophobicContact CG-CD1 3.78Å; E1824-L1828 HydrophobicContact CG-CG 4.43Å; E1824-L1828 WeakPolarHBondContact O-CB 3.37Å; E1824-L1828 VanDerWaalsContact O-CG 3.3Å; E1824-L1828 WeakPolarHBondContact O-CG 3.47Å; E1824-L1828 PolarHBondContact O-N 3.26Å
1825A83.3Confident79.6Confident43 Ų4339 Ų3936%0.35524%0.239SC..Hα-helixtrans-62.5-42.5178.500000112.9P1821 S1822 T1823 L1828 N1829P1821-A1825 WeakPolarHBondContact O-CB 3.39Å; P1821-A1825 PolarHBondContact O-N 2.99Å; S1822-A1825 PolarHBondContact O-N 2.89Å; T1823-A1825 PolarHBondContact O-N 3.46Å; A1825-L1828 PolarHBondContact O-N 3.5Å; A1825-N1829 WeakPolarHBondContact O-CB 3.45Å; A1825-N1829 PolarHBondContact O-N 3.42Å
1826V82.8Confident80.8Confident36 Ų3642.5 Ų42.522%0.21825%0.245CC..Hα-helixtrans-62.8-46.7176.9171.40000111M1608 S1822 T1823 E1824 N1829 R1830M1608-V1826 HydrophobicContact CE-CG2 3.86Å; M1608-V1826 HydrophobicContact SD-CG2 4.29Å; S1822-V1826 WeakPolarHBondContact O-CG2 3.32Å; S1822-V1826 PolarHBondContact O-N 2.93Å; S1822-V1826 VanDerWaalsContact O-N 3.14Å; T1823-V1826 PolarHBondContact O-N 3.36Å; E1824-V1826 PolarHBondContact O-N 3.49Å; V1826-N1829 PolarHBondContact O-N 3.23Å; V1826-R1830 PolarHBondContact O-N 3.14Å; V1826-R1830 VanDerWaalsContact O-N 3.08Å
1827L85Confident81.8Confident12 Ų1242.9 Ų42.96%0.06325%0.248CC..Hα-helixtrans-62.6-45.2177.7-69.6175.5000111.6L1607 I1813 L1816 T1823 E1824 N1829 R1830 I1831L1607-L1827 HydrophobicContact CD2-CD2 4.27Å; I1813-L1827 HydrophobicContact CG1-CB 4.32Å; L1816-L1827 HydrophobicContact CB-CD1 4.1Å; T1823-L1827 HydrophobicContact CG2-CD1 4.13Å; T1823-L1827 HydrophobicContact CG2-CG 4.44Å; T1823-L1827 WeakPolarHBondContact O-CB 3.34Å; T1823-L1827 VanDerWaalsContact O-CG 3.29Å; T1823-L1827 WeakPolarHBondContact O-CG 2.82Å; T1823-L1827 PolarHBondContact O-N 3.05Å; E1824-L1827 PolarHBondContact O-N 2.91Å; L1827-N1829 VanDerWaalsContact C-N 3.32Å; L1827-N1829 PolarHBondContact O-N 2.93Å; L1827-R1830 PolarHBondContact O-N 3.13Å; L1827-I1831 WeakPolarHBondContact O-CD1 3.45Å; L1827-I1831 WeakPolarHBondContact O-CG1 3.44Å; L1827-I1831 PolarHBondContact O-N 3.16Å
1828L87Confident82.8Confident2 Ų242.7 Ų42.71%0.0125%0.246CC..Hα-helixtrans-61.1-39.6176.9-78169.6000112.4Y1669 H1672 L1673 I1813 E1824 A1825 I1831 A1832Y1669-L1828 HydrophobicContact CD1-CD1 3.87Å; Y1669-L1828 HydrophobicContact CD1-CD2 4.21Å; Y1669-L1828 HydrophobicContact CD2-CD2 3.89Å; Y1669-L1828 HydrophobicContact CE1-CD1 4.5Å; Y1669-L1828 HydrophobicContact CG-CD1 4.13Å; Y1669-L1828 HydrophobicContact CG-CD2 3.66Å; H1672-L1828 HydrophobicContact CB-CB 3.98Å; H1672-L1828 HydrophobicContact CB-CD1 4.41Å; H1672-L1828 HydrophobicContact CB-CD2 4.21Å; H1672-L1828 HydrophobicContact CB-CG 4.44Å; L1673-L1828 HydrophobicContact CD1-CD2 4.46Å; L1673-L1828 HydrophobicContact CG-CD2 4.33Å; I1813-L1828 HydrophobicContact CD1-CD1 4.39Å; I1813-L1828 HydrophobicContact CD1-CD2 3.31Å; I1813-L1828 HydrophobicContact CD1-CG 3.57Å; E1824-L1828 HydrophobicContact CG-CD1 3.78Å; E1824-L1828 HydrophobicContact CG-CG 4.43Å; E1824-L1828 WeakPolarHBondContact O-CB 3.37Å; E1824-L1828 VanDerWaalsContact O-CG 3.3Å; E1824-L1828 WeakPolarHBondContact O-CG 3.47Å; E1824-L1828 PolarHBondContact O-N 3.26Å; A1825-L1828 PolarHBondContact O-N 3.5Å; L1828-I1831 PolarHBondContact O-N 2.72Å; L1828-A1832 WeakPolarHBondContact O-CB 3.23Å; L1828-A1832 PolarHBondContact O-N 2.84Å
1829N86.5Confident84Confident95 Ų9536.4 Ų36.451%0.50822%0.223SC..Hα-helixtrans-64.4-43.1176.4-170.827000111.8A1825 V1826 L1827 A1832 G1833A1825-N1829 WeakPolarHBondContact O-CB 3.45Å; A1825-N1829 PolarHBondContact O-N 3.42Å; V1826-N1829 PolarHBondContact O-N 3.23Å; L1827-N1829 VanDerWaalsContact C-N 3.32Å; L1827-N1829 PolarHBondContact O-N 2.93Å; N1829-A1832 PolarHBondContact O-N 3.45Å; N1829-G1833 PolarHBondContact O-N 2.93Å
1830R88.6Confident85Confident4 Ų441.7 Ų41.72%0.01523%0.228CC..Hα-helixtrans-60.8-47.3173.7-71.9-179.8-174.2152.88.3111.6L1607 H1609 D1755 V1826 L1827 A1832 G1833 N1834L1607-R1830 PolarHBondContact O-NH1 3.02Å; L1607-R1830 PolarHBondContact O-NH2 2.81Å; H1609-R1830 VanDerWaalsContact C-NH2 3.31Å; H1609-R1830 PolarHBondContact O-NH2 2.89Å; D1755-R1830 IonicContact OD1-CZ 3.9Å; D1755-R1830 IonicContact OD1-NE 3.87Å; D1755-R1830 PolarHBondContact OD1-NE 3.07Å; D1755-R1830 IonicContact OD1-NH2 3.15Å; D1755-R1830 PolarHBondContact OD1-NH2 3.21Å; V1826-R1830 PolarHBondContact O-N 3.14Å; V1826-R1830 VanDerWaalsContact O-N 3.08Å; L1827-R1830 PolarHBondContact O-N 3.13Å; R1830-A1832 PolarHBondContact O-N 3.36Å; R1830-G1833 PolarHBondContact O-N 3.24Å; R1830-N1834 WeakPolarHBondContact O-CB 3.17Å; R1830-N1834 PolarHBondContact O-N 2.97Å; R1830-N1834 PolarHBondContact O-OD1 3.35Å; R1830-N1834 VanDerWaalsContact O-OD1 3.08Å
1831I89Confident85.9Confident6 Ų641.1 Ų41.13%0.03122%0.222CC..Hα-helixtrans-61.1-45.1179.1-67.6161.8000111.3L1673 V1806 I1813 L1827 L1828 G1833 N1834 Y1835L1673-I1831 HydrophobicContact CD2-CB 4.5Å; L1673-I1831 HydrophobicContact CD2-CG2 3.71Å; V1806-I1831 HydrophobicContact CB-CG2 4.26Å; V1806-I1831 HydrophobicContact CG2-CG2 3.81Å; I1813-I1831 HydrophobicContact CD1-CD1 4.16Å; I1813-I1831 HydrophobicContact CG1-CD1 4.35Å; L1827-I1831 WeakPolarHBondContact O-CD1 3.45Å; L1827-I1831 WeakPolarHBondContact O-CG1 3.44Å; L1827-I1831 PolarHBondContact O-N 3.16Å; L1828-I1831 PolarHBondContact O-N 2.72Å; I1831-G1833 VanDerWaalsContact C-N 3.32Å; I1831-G1833 PolarHBondContact O-N 3.36Å; I1831-N1834 WeakPolarHBondContact O-CB 3.33Å; I1831-N1834 PolarHBondContact O-N 2.98Å; I1831-Y1835 PolarHBondContact O-N 3.21Å
1832A88.1Confident86.3Confident8 Ų838.6 Ų38.67%0.06620%0.201CC..Hα-helixtrans-64.8-36.9177.200000112.2L1828 N1829 R1830 K1836L1828-A1832 WeakPolarHBondContact O-CB 3.23Å; L1828-A1832 PolarHBondContact O-N 2.84Å; N1829-A1832 PolarHBondContact O-N 3.45Å; R1830-A1832 PolarHBondContact O-N 3.36Å; A1832-K1836 WeakPolarHBondContact O-CG 3.4Å; A1832-K1836 PolarHBondContact O-N 3.13Å; A1832-K1836 VanDerWaalsContact O-N 3.17Å
1833G88Confident86.7Confident4 Ų442.1 Ų42.14%0.04122%0.215CC..Hα-helixtrans-68.9-39.4173.900000113.5R1759 N1829 R1830 I1831 Y1835 K1836 D1837R1759-G1833 VanDerWaalsContact NH2-C 3.35Å; R1759-G1833 PolarHBondContact NH2-O 2.89Å; N1829-G1833 PolarHBondContact O-N 2.93Å; R1830-G1833 PolarHBondContact O-N 3.24Å; I1831-G1833 VanDerWaalsContact C-N 3.32Å; I1831-G1833 PolarHBondContact O-N 3.36Å; G1833-Y1835 VanDerWaalsContact C-N 3.33Å; G1833-Y1835 PolarHBondContact O-N 2.91Å; G1833-K1836 PolarHBondContact O-N 2.92Å; G1833-D1837 VanDerWaalsContact O-CG 3.29Å; G1833-D1837 PolarHBondContact O-N 2.87Å
1834N89Confident86.7Confident1 Ų144.4 Ų44.41%0.00522%0.223CC..Hα-helixtrans-55.1-49.6172.1-72.60.9000111S1751 R1759 A1802 R1830 I1831 K1836 D1837 A1838S1751-N1834 PolarHBondContact O-ND2 3.33Å; R1759-N1834 PolarHBondContact NH1-OD1 3.45Å; R1759-N1834 PolarHBondContact NH2-OD1 3.38Å; A1802-N1834 HydrophobicContact CB-CB 3.75Å; R1830-N1834 WeakPolarHBondContact O-CB 3.17Å; R1830-N1834 PolarHBondContact O-N 2.97Å; R1830-N1834 PolarHBondContact O-OD1 3.35Å; R1830-N1834 VanDerWaalsContact O-OD1 3.08Å; I1831-N1834 WeakPolarHBondContact O-CB 3.33Å; I1831-N1834 PolarHBondContact O-N 2.98Å; N1834-K1836 PolarHBondContact O-N 2.91Å; N1834-D1837 PolarHBondContact O-N 3.28Å; N1834-A1838 VanDerWaalsContact O-CB 3.32Å; N1834-A1838 WeakPolarHBondContact O-CB 3.32Å; N1834-A1838 PolarHBondContact O-N 3.27Å
1835Y90.6Very high86.9Confident13 Ų1343.9 Ų43.95%0.05122%0.221CC..Hα-helixtrans-57.1-51.5176.9174.3-100.7000111.7C1675 V1676 D1677 V1681 L1803 I1831 G1833 D1837 A1838 A1839 F1844C1675-Y1835 HydrophobicContact CB-CD1 4.41Å; C1675-Y1835 HydrophobicContact CB-CE1 4.34Å; C1675-Y1835 WeakPolarHBondContact O-CE1 3.45Å; C1675-Y1835 PolarHBondContact O-OH 3.04Å; V1676-Y1835 HydrophobicContact CB-CD2 4.27Å; V1676-Y1835 HydrophobicContact CB-CE2 4.27Å; V1676-Y1835 HydrophobicContact CB-CG 4.42Å; V1676-Y1835 HydrophobicContact CG1-CD2 3.91Å; V1676-Y1835 HydrophobicContact CG1-CE2 3.87Å; V1676-Y1835 HydrophobicContact CG2-CD1 4.03Å; V1676-Y1835 HydrophobicContact CG2-CD2 3.99Å; V1676-Y1835 HydrophobicContact CG2-CE2 4.45Å; V1676-Y1835 HydrophobicContact CG2-CG 3.76Å; D1677-Y1835 WeakPolarHBondContact CB-OH 3.49Å; D1677-Y1835 PolarHBondContact N-OH 2.57Å; V1681-Y1835 HydrophobicContact CG2-CD2 3.99Å; V1681-Y1835 HydrophobicContact CG2-CE2 3.58Å; L1803-Y1835 HydrophobicContact CD2-CD2 4.23Å; I1831-Y1835 PolarHBondContact O-N 3.21Å; G1833-Y1835 VanDerWaalsContact C-N 3.33Å; G1833-Y1835 PolarHBondContact O-N 2.91Å; Y1835-D1837 VanDerWaalsContact C-N 3.34Å; Y1835-D1837 PolarHBondContact O-N 2.87Å; Y1835-A1838 PolarHBondContact O-N 2.79Å; Y1835-A1839 HydrophobicContact CE1-CB 4.2Å; Y1835-A1839 HydrophobicContact CE2-CB 4.37Å; Y1835-A1839 WeakPolarHBondContact O-CB 3.39Å; Y1835-A1839 PolarHBondContact O-N 2.7Å; Y1835-F1844 AromaticContact CE2-CE2 4Å; Y1835-F1844 HydrophobicContact CE2-CE2 4Å
1836K89.6Confident87.1Confident118 Ų11843.9 Ų43.951%0.51321%0.214SC..Hα-helixtrans-60.6-41.6-177.5-72.5172.7-177.4176.10112.9A1832 G1833 N1834 K1840A1832-K1836 WeakPolarHBondContact O-CG 3.4Å; A1832-K1836 PolarHBondContact O-N 3.13Å; A1832-K1836 VanDerWaalsContact O-N 3.17Å; G1833-K1836 PolarHBondContact O-N 2.92Å; N1834-K1836 PolarHBondContact O-N 2.91Å; K1836-K1840 WeakPolarHBondContact O-CB 3.28Å; K1836-K1840 PolarHBondContact O-N 3.17Å
1837D89Confident87.4Confident36 Ų3644.4 Ų44.419%0.19321%0.214CC..Hα-helixtrans-69.5-43.3-179.7-65.9-15.2000110.9R1759 R1760 G1833 N1834 Y1835 K1840 F1841R1759-D1837 IonicContact CZ-OD2 3.19Å; R1759-D1837 VanDerWaalsContact CZ-OD2 3.27Å; R1759-D1837 IonicContact NE-OD2 3.46Å; R1759-D1837 PolarHBondContact NE-OD2 3.26Å; R1759-D1837 IonicContact NH2-OD2 3.41Å; R1759-D1837 PolarHBondContact NH2-OD2 3.03Å; R1760-D1837 IonicContact CZ-OD1 3.91Å; R1760-D1837 VanDerWaalsContact CZ-OD1 3.24Å; R1760-D1837 IonicContact NE-OD1 3.01Å; R1760-D1837 PolarHBondContact NE-OD1 2.76Å; R1760-D1837 IonicContact NE-OD2 2.97Å; R1760-D1837 IonicContact NH2-OD1 2.75Å; R1760-D1837 PolarHBondContact NH2-OD1 2.84Å; R1760-D1837 IonicContact NH2-OD2 3.45Å; G1833-D1837 VanDerWaalsContact O-CG 3.29Å; G1833-D1837 PolarHBondContact O-N 2.87Å; N1834-D1837 PolarHBondContact O-N 3.28Å; Y1835-D1837 VanDerWaalsContact C-N 3.34Å; Y1835-D1837 PolarHBondContact O-N 2.87Å; D1837-K1840 PolarHBondContact O-N 2.86Å; D1837-F1841 PolarHBondContact O-N 2.73Å
1838A89.8Confident87.5Confident1 Ų146.3 Ų46.31%0.00822%0.223CC..Hα-helixtrans-67.3-42177.100000112.4S1799 A1802 L1803 N1834 Y1835 K1840 F1841 F1842S1799-A1838 WeakPolarHBondContact O-CB 3.17Å; A1802-A1838 HydrophobicContact CB-CB 4.18Å; L1803-A1838 HydrophobicContact CD2-CB 3.63Å; L1803-A1838 HydrophobicContact CG-CB 3.75Å; N1834-A1838 VanDerWaalsContact O-CB 3.32Å; N1834-A1838 WeakPolarHBondContact O-CB 3.32Å; N1834-A1838 PolarHBondContact O-N 3.27Å; Y1835-A1838 PolarHBondContact O-N 2.79Å; A1838-K1840 VanDerWaalsContact C-N 3.31Å; A1838-K1840 PolarHBondContact O-N 3.35Å; A1838-F1841 WeakPolarHBondContact O-CB 3.37Å; A1838-F1841 PolarHBondContact O-N 2.95Å; A1838-F1841 VanDerWaalsContact O-N 3.11Å; A1838-F1842 HydrophobicContact CB-CD2 4.44Å; A1838-F1842 WeakPolarHBondContact O-CD2 3.33Å; A1838-F1842 PolarHBondContact O-N 2.85Å
1839A88.5Confident87.5Confident7 Ų749.1 Ų49.16%0.05824%0.236CC..Hα-helixtrans-59.6-42.5175.600000111.1Y1835 F1841 N1843 F1844Y1835-A1839 HydrophobicContact CE1-CB 4.2Å; Y1835-A1839 HydrophobicContact CE2-CB 4.37Å; Y1835-A1839 WeakPolarHBondContact O-CB 3.39Å; Y1835-A1839 PolarHBondContact O-N 2.7Å; A1839-F1841 PolarHBondContact O-N 2.8Å; A1839-N1843 WeakPolarHBondContact O-CA 3.18Å; A1839-N1843 PolarHBondContact O-N 3.15Å; A1839-F1844 HydrophobicContact CB-CD2 4.06Å; A1839-F1844 HydrophobicContact CB-CE2 3.88Å; A1839-F1844 HydrophobicContact CB-CZ 4.4Å; A1839-F1844 WeakPolarHBondContact CB-O 3.3Å; A1839-F1844 PolarHBondContact O-N 2.76Å
1840K88.6Confident87.6Confident175 Ų17546 Ų4676%0.76122%0.218SC*.Hα-helixtrans-62.5-40.7172.7-175179.6177.9-176.90112.6K1836 D1837 A1838 N1843K1836-K1840 WeakPolarHBondContact O-CB 3.28Å; K1836-K1840 PolarHBondContact O-N 3.17Å; D1837-K1840 PolarHBondContact O-N 2.86Å; A1838-K1840 VanDerWaalsContact C-N 3.31Å; A1838-K1840 PolarHBondContact O-N 3.35Å; K1840-N1843 PolarHBondContact O-N 3.09Å
1841F88.7Confident87.5Confident64 Ų6449 Ų4928%0.28123%0.233SC..Hα-helixtrans-67.1-46.9178.8178.5-94000112.4E1795 R1796 S1799 D1837 A1838 A1839 N1843E1795-F1841 HydrophobicContact CB-CE2 4.29Å; E1795-F1841 HydrophobicContact CG-CD2 3.88Å; E1795-F1841 HydrophobicContact CG-CE2 3.7Å; R1796-F1841 HydrophobicContact CB-CE1 3.97Å; R1796-F1841 HydrophobicContact CB-CZ 3.77Å; R1796-F1841 HydrophobicContact CG-CE1 4.06Å; R1796-F1841 HydrophobicContact CG-CZ 4.28Å; S1799-F1841 WeakPolarHBondContact OG-CG 3.31Å; D1837-F1841 PolarHBondContact O-N 2.73Å; A1838-F1841 WeakPolarHBondContact O-CB 3.37Å; A1838-F1841 PolarHBondContact O-N 2.95Å; A1838-F1841 VanDerWaalsContact O-N 3.11Å; A1839-F1841 PolarHBondContact O-N 2.8Å; F1841-N1843 PolarHBondContact O-N 2.87Å
1842F86.9Confident87.4Confident42 Ų4252.3 Ų52.318%0.18425%0.248CC..Hα-helixtrans-80.11.4176.5-66.4-65.7000113.4T1684 L1803 A1838 F1844T1684-F1842 HydrophobicContact CG2-CB 4.4Å; T1684-F1842 HydrophobicContact CG2-CD1 3.82Å; T1684-F1842 HydrophobicContact CG2-CD2 3.81Å; T1684-F1842 HydrophobicContact CG2-CE1 3.96Å; T1684-F1842 HydrophobicContact CG2-CE2 3.94Å; T1684-F1842 HydrophobicContact CG2-CG 3.75Å; T1684-F1842 HydrophobicContact CG2-CZ 4.03Å; L1803-F1842 HydrophobicContact CD1-CD2 3.8Å; L1803-F1842 HydrophobicContact CD1-CE2 3.7Å; L1803-F1842 HydrophobicContact CG-CE2 4.41Å; A1838-F1842 HydrophobicContact CB-CD2 4.44Å; A1838-F1842 WeakPolarHBondContact O-CD2 3.33Å; A1838-F1842 PolarHBondContact O-N 2.85Å; F1842-F1844 HydrophobicContact CB-CD1 3.5Å; F1842-F1844 HydrophobicContact CB-CE1 3.5Å; F1842-F1844 HydrophobicContact CD2-CE1 4.28Å; F1842-F1844 HydrophobicContact CG-CE1 4.23Å
1843N83.9Confident87.4Confident147 Ų14756 Ų5679%0.78626%0.263SS*.THydrogen-bonded Turntrans58.553.4175.3-167.743.7000114A1839 K1840 F1841A1839-N1843 WeakPolarHBondContact O-CA 3.18Å; A1839-N1843 PolarHBondContact O-N 3.15Å; K1840-N1843 PolarHBondContact O-N 3.09Å; F1841-N1843 PolarHBondContact O-N 2.87Å
1844F75.8Confident87.3Confident64 Ų6460.7 Ų60.728%0.28128%0.284SS..  trans-142.90-17879.3-119.8000115K1680 V1681 T1684 L1803 Y1835 A1839 F1842K1680-F1844 HydrophobicContact CB-CD1 4.41Å; K1680-F1844 HydrophobicContact CB-CD2 3.53Å; K1680-F1844 HydrophobicContact CB-CE2 3.64Å; K1680-F1844 HydrophobicContact CB-CG 3.94Å; K1680-F1844 HydrophobicContact CB-CZ 4.16Å; K1680-F1844 HydrophobicContact CD-CB 3.7Å; K1680-F1844 HydrophobicContact CD-CD2 3.47Å; K1680-F1844 VanDerWaalsContact CD-CD2 3.47Å; K1680-F1844 HydrophobicContact CD-CE2 4.35Å; K1680-F1844 HydrophobicContact CD-CG 3.78Å; K1680-F1844 HydrophobicContact CG-CD2 4.14Å; K1680-F1844 HydrophobicContact CG-CG 4.38Å; K1680-F1844 PolarHBondContact NZ-OXT 2.8Å; V1681-F1844 HydrophobicContact CG2-CE2 4.5Å; V1681-F1844 HydrophobicContact CG2-CZ 4.4Å; T1684-F1844 HydrophobicContact CG2-CE1 4.31Å; T1684-F1844 WeakPolarHBondContact OG1-CE1 3.37Å; L1803-F1844 HydrophobicContact CD1-CZ 4.32Å; L1803-F1844 HydrophobicContact CD2-CZ 4.34Å; Y1835-F1844 AromaticContact CE2-CE2 4Å; Y1835-F1844 HydrophobicContact CE2-CE2 4Å; A1839-F1844 HydrophobicContact CB-CD2 4.06Å; A1839-F1844 HydrophobicContact CB-CE2 3.88Å; A1839-F1844 HydrophobicContact CB-CZ 4.4Å; A1839-F1844 WeakPolarHBondContact CB-O 3.3Å; A1839-F1844 PolarHBondContact O-N 2.76Å; F1842-F1844 HydrophobicContact CB-CD1 3.5Å; F1842-F1844 HydrophobicContact CB-CE1 3.5Å; F1842-F1844 HydrophobicContact CD2-CE1 4.28Å; F1842-F1844 HydrophobicContact CG-CE1 4.23Å

Retrieved 1,844 of 1,844 residues in 758.6 ms (Link to these results)

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