A0A2K5NIB0_CERAT Loading...

Tripartite motif-containing protein 72

Muscle-specific E3 ubiquitin-protein ligase that plays a central role in cell membrane repair by nucleating the assembly of the repair machinery at injury sites. Its ubiquitination activity is mediated by E2 ubiquitin-conjugating enzymes UBE2D1, UBE2D2 and UBE2D3. Acts as a sensor of oxidation: upon membrane damage, entry of extracellular oxidative environment results in disulfide bond formation and homooligomerization at the injury site. This oligomerization acts as a nucleation site for recruitment of TRIM72-containing vesicles to the injury site, leading to membrane patch formation. Probably acts upstream of the Ca(2+)-dependent membrane resealing process. Required for transport of DYSF to sites of cell injury during repair patch formation. Regulates membrane budding and exocytosis. May be involved in the regulation of the mobility of KCNB1-containing endocytic vesicles.

AlphaFold DB , UniProt , Accession A0A2K5NIB0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TRIM72, Length 477 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.1Very low54.7Low247 Ų247106.3 Ų106.3100%1.21761%0.609SS**  0860-73.1178152.600107.4
2S38.4Very low57Low113 Ų11399.3 Ų99.379%0.7957%0.568SS**PPolyproline II helixtrans-84.5116.6173159.60000105.9A4S2-A4 PolarHBondContact O-N 3.31Å
3A38.1Very low59.3Low57 Ų5793.3 Ų93.347%0.47154%0.536SS..PPolyproline II helixtrans-61129.3169.400000107.3L8A3-L8 HydrophobicContact CB-CD1 4.15Å; A3-L8 HydrophobicContact CB-CG 4.29Å
4A46.3Very low61.4Low50 Ų5086.6 Ų86.641%0.41350%0.498SS..PPolyproline II helixtrans-54132.518000000109.2S2 G6 L7S2-A4 PolarHBondContact O-N 3.31Å; A4-G6 PolarHBondContact O-N 3.06Å; A4-L7 HydrophobicContact CB-CD1 4.15Å; A4-L7 PolarHBondContact O-N 3.4Å
5P54.2Low63Low92 Ų9285.3 Ų85.360%0.59749%0.494SS*.Hα-helixtrans-51.6-31.9-178.4-27.533.6000113.3L7 L8 H9P5-L7 PolarHBondContact O-N 3.22Å; P5-L8 PolarHBondContact O-N 2.77Å; P5-H9 PolarHBondContact O-N 2.97Å
6G54.4Low64.5Low47 Ų4783.9 Ų83.949%0.48548%0.483SS..Hα-helixtrans-66.5-30.9176.300000115.3A4 Q10A4-G6 PolarHBondContact O-N 3.06Å; G6-Q10 PolarHBondContact O-N 2.94Å
7L57.3Low65.9Low104 Ų10481.6 Ų81.655%0.54547%0.473SS..Hα-helixtrans-72.2-40.7176.1-85.1153.3000110.8A4 P5 Q10 E11A4-L7 HydrophobicContact CB-CD1 4.15Å; A4-L7 PolarHBondContact O-N 3.4Å; P5-L7 PolarHBondContact O-N 3.22Å; L7-Q10 PolarHBondContact O-N 3.16Å; L7-E11 WeakPolarHBondContact O-CG 3.42Å; L7-E11 PolarHBondContact O-N 2.98Å
8L65.3Low67Low79 Ų7984.1 Ų84.141%0.41448%0.483SS..Hα-helixtrans-68.8-33.8176.6-73.6165.4000112.5A3 P5 E11 L12A3-L8 HydrophobicContact CB-CD1 4.15Å; A3-L8 HydrophobicContact CB-CG 4.29Å; P5-L8 PolarHBondContact O-N 2.77Å; L8-E11 PolarHBondContact O-N 2.82Å; L8-L12 PolarHBondContact O-N 3.04Å
9H70.1Confident67.9Low85 Ų8586.3 Ų86.339%0.39449%0.489SS..Hα-helixtrans-64-40.5175.1-166.590.7000112P5 L12 S13 L20P5-H9 PolarHBondContact O-N 2.97Å; H9-L12 PolarHBondContact O-N 3.19Å; H9-S13 WeakPolarHBondContact O-CB 2.96Å; H9-S13 PolarHBondContact O-N 3.14Å; H9-S13 PolarHBondContact O-OG 3.19Å; H9-L20 VanDerWaalsContact CE1-CG 3.43Å; H9-L20 WeakPolarHBondContact CE1-CG 3.15Å
10Q70.1Confident68.7Low143 Ų14384.1 Ų84.167%0.66848%0.475SS*.Hα-helixtrans-66.4-42.3177.1-74.8179.4-5.800112.3G6 L7 L12 S13G6-Q10 PolarHBondContact O-N 2.94Å; L7-Q10 PolarHBondContact O-N 3.16Å; Q10-L12 PolarHBondContact O-N 3.4Å; Q10-S13 PolarHBondContact O-N 3.02Å
11E77.1Confident69.6Low152 Ų15280.8 Ų80.871%0.7146%0.456SS*.Hα-helixtrans-67.4-22.2178.4-66.5-68157.300113.3L7 L8L7-E11 WeakPolarHBondContact O-CG 3.42Å; L7-E11 PolarHBondContact O-N 2.98Å; L8-E11 PolarHBondContact O-N 2.82Å
12L83.3Confident72.3Confident22 Ų2274.8 Ų74.812%0.11543%0.429CS..THydrogen-bonded Turntrans-107.716.9179.2-66.3168.9000113.1L8 H9 Q10 L20 F21 L71 L74 V75 L78L8-L12 PolarHBondContact O-N 3.04Å; H9-L12 PolarHBondContact O-N 3.19Å; Q10-L12 PolarHBondContact O-N 3.4Å; L12-L20 HydrophobicContact CB-CD2 4.12Å; L12-L20 WeakPolarHBondContact O-CA 3.44Å; L12-F21 VanDerWaalsContact C-CD2 3.49Å; L12-F21 WeakPolarHBondContact O-CD2 3.46Å; L12-F21 PolarHBondContact O-N 2.87Å; L12-F21 VanDerWaalsContact O-N 3.09Å; L12-L71 HydrophobicContact CD2-CD2 3.74Å; L12-L74 HydrophobicContact CD1-CB 4.28Å; L12-L74 HydrophobicContact CD2-CB 4.31Å; L12-L74 HydrophobicContact CD2-CD1 4.49Å; L12-V75 HydrophobicContact CB-CG2 4.32Å; L12-L78 HydrophobicContact CD1-CD1 3.14Å; L12-L78 HydrophobicContact CG-CD1 4.42Å
13S86.8Confident74.6Confident22 Ų2271.1 Ų71.115%0.15441%0.405CS..BIsolated β-bridgetrans-97.2140.5174.3-69.10000111.6H9 Q10 Q19 F21H9-S13 WeakPolarHBondContact O-CB 2.96Å; H9-S13 PolarHBondContact O-N 3.14Å; H9-S13 PolarHBondContact O-OG 3.19Å; Q10-S13 PolarHBondContact O-N 3.02Å; S13-Q19 CarbonylContact C-O 3.53Å; S13-Q19 VanDerWaalsContact CA-O 3.31Å; S13-Q19 WeakPolarHBondContact CA-O 3.33Å; S13-F21 WeakPolarHBondContact O-CZ 3.42Å
14C88.3Confident77.1Confident0 Ų068.4 Ų68.40%038%0.383CS..  trans-70.1128.51741750000110.5L16 C17 L18 Q19 F21 C34C14-L16 PolarHBondContact O-N 3.44Å; C14-C17 VanDerWaalsContact CB-SG 3.55Å; C14-C17 PolarHBondContact O-N 2.91Å; C14-L18 VanDerWaalsContact O-CA 3.27Å; C14-L18 WeakPolarHBondContact O-CA 3.49Å; C14-L18 PolarHBondContact O-N 2.96Å; C14-Q19 PolarHBondContact N-O 2.87Å; C14-F21 HydrophobicContact CB-CD1 3.64Å; C14-F21 HydrophobicContact CB-CE1 3.61Å; C14-F21 HydrophobicContact CB-CG 4.5Å; C14-F21 HydrophobicContact CB-CZ 4.44Å; C14-C34 WeakPolarHBondContact CB-SG 3.38Å; C14-C34 PolarHBondContact SG-N 3.29Å; C14-C34 VanDerWaalsContact SG-N 3.4Å
15P85.9Confident79.2Confident67 Ų6766.1 Ų66.144%0.43536%0.363SS..THydrogen-bonded Turntrans-67.3-12.6-176.727.7-36000113.6F33P15-F33 HydrophobicContact CG-CD1 3.78Å; P15-F33 HydrophobicContact CG-CE1 3.65Å
16L87Confident81Confident62 Ų6263.7 Ų63.733%0.32535%0.347SS..THydrogen-bonded Turntrans-93.4-39.8-178.4-61.4175.4000113.4C14 F33 C37 V41 P54C14-L16 PolarHBondContact O-N 3.44Å; L16-F33 HydrophobicContact CD1-CB 4.41Å; L16-F33 HydrophobicContact CD1-CD1 3.53Å; L16-F33 HydrophobicContact CD1-CE1 4.13Å; L16-F33 HydrophobicContact CD1-CG 4.21Å; L16-F33 HydrophobicContact CG-CD1 3.77Å; L16-F33 HydrophobicContact CG-CE1 4.15Å; L16-C37 HydrophobicContact CB-CB 3.96Å; L16-C37 HydrophobicContact CD1-CB 3.79Å; L16-V41 HydrophobicContact CD1-CG2 3.98Å; L16-V41 HydrophobicContact CD2-CG2 4.31Å; L16-P54 HydrophobicContact CD1-CG 4.33Å; L16-P54 HydrophobicContact CD2-CB 4Å; L16-P54 HydrophobicContact CD2-CG 4.49Å
17C88.1Confident82.5Confident45 Ų4561.7 Ų61.730%0.30433%0.326SS..THydrogen-bonded Turntrans-106.9-9.3179.563.50000113.7C14 Q19C14-C17 VanDerWaalsContact CB-SG 3.55Å; C14-C17 PolarHBondContact O-N 2.91Å; C17-Q19 PolarHBondContact O-N 2.63Å; C17-Q19 VanDerWaalsContact O-N 3.13Å
18L84.8Confident83.8Confident127 Ų12762.9 Ų62.967%0.66533%0.329SS*.  trans57.223.2-178.6-49.4177.8000113.7C14C14-L18 VanDerWaalsContact O-CA 3.27Å; C14-L18 WeakPolarHBondContact O-CA 3.49Å; C14-L18 PolarHBondContact O-N 2.96Å
19Q84.5Confident84.9Confident125 Ų12561.4 Ų61.458%0.58432%0.324SS*.SBendtrans-110.1161.5172.1-60.5-60.7-51.500109.3S13 C14 C17S13-Q19 CarbonylContact C-O 3.53Å; S13-Q19 VanDerWaalsContact CA-O 3.31Å; S13-Q19 WeakPolarHBondContact CA-O 3.33Å; C14-Q19 PolarHBondContact N-O 2.87Å; C17-Q19 PolarHBondContact O-N 2.63Å; C17-Q19 VanDerWaalsContact O-N 3.13Å
20L84.9Confident85.6Confident42 Ų4259.7 Ų59.722%0.2233%0.33CS..BIsolated β-bridgetrans-50.4143.6170.4-70.2175.6000111.2H9 L12 D22 V75H9-L20 VanDerWaalsContact CE1-CG 3.43Å; H9-L20 WeakPolarHBondContact CE1-CG 3.15Å; L12-L20 HydrophobicContact CB-CD2 4.12Å; L12-L20 WeakPolarHBondContact O-CA 3.44Å; L20-D22 PolarHBondContact O-N 2.91Å; L20-D22 VanDerWaalsContact O-N 3.14Å; L20-V75 HydrophobicContact CB-CG1 3.85Å; L20-V75 HydrophobicContact CD1-CG1 4.33Å
21F86.8Confident86.5Confident15 Ų1556.5 Ų56.57%0.06632%0.315CS..PPolyproline II helixtrans-59.7119.9-176.8-71.8-73.1000112.7L12 S13 C14 P24 S32 L71 V75L12-F21 VanDerWaalsContact C-CD2 3.49Å; L12-F21 WeakPolarHBondContact O-CD2 3.46Å; L12-F21 PolarHBondContact O-N 2.87Å; L12-F21 VanDerWaalsContact O-N 3.09Å; S13-F21 WeakPolarHBondContact O-CZ 3.42Å; C14-F21 HydrophobicContact CB-CD1 3.64Å; C14-F21 HydrophobicContact CB-CE1 3.61Å; C14-F21 HydrophobicContact CB-CG 4.5Å; C14-F21 HydrophobicContact CB-CZ 4.44Å; F21-P24 HydrophobicContact CB-CB 3.71Å; F21-P24 HydrophobicContact CB-CG 3.85Å; F21-P24 HydrophobicContact CD1-CB 4.04Å; F21-P24 HydrophobicContact CG-CB 3.92Å; F21-S32 VanDerWaalsContact CE1-C 3.5Å; F21-S32 VanDerWaalsContact CE1-O 3.27Å; F21-S32 WeakPolarHBondContact CE1-O 3.3Å; F21-L71 HydrophobicContact CD2-CD2 3.36Å; F21-L71 HydrophobicContact CE2-CD2 3.6Å; F21-L71 HydrophobicContact CG-CD2 4.2Å; F21-V75 HydrophobicContact CB-CG2 4.04Å
22D85.8Confident87.2Confident122 Ų12250.3 Ų50.365%0.65229%0.288SS*.SBendtrans-102.3122.7166.9178.231.5000109.4L20 C34L20-D22 PolarHBondContact O-N 2.91Å; L20-D22 VanDerWaalsContact O-N 3.14Å; D22-C34 PolarHBondContact N-SG 3.42Å; D22-C34 VanDerWaalsContact O-CA 3.32Å; D22-C34 WeakPolarHBondContact O-CA 3.48Å; D22-C34 WeakPolarHBondContact O-CB 3.42Å
23A87.7Confident87.5Confident35 Ų3549.2 Ų49.229%0.28928%0.283SS..SBendtrans41.263.3-168.900000112.6V25 R35 T67A23-V25 PolarHBondContact O-N 3.17Å; A23-R35 HydrophobicContact CB-CB 4.21Å; A23-R35 WeakPolarHBondContact O-CB 3.46Å; A23-R35 PolarHBondContact O-N 3.27Å; A23-T67 HydrophobicContact CB-CG2 4.26Å
24P91.1Very high87.7Confident0 Ų048.5 Ų48.50%028%0.277CS..EExtended strand (participates in β ladder)trans-58.2132.4-177.815.8-24.7000111.2F21 F33 T67 N68 L71 A72F21-P24 HydrophobicContact CB-CB 3.71Å; F21-P24 HydrophobicContact CB-CG 3.85Å; F21-P24 HydrophobicContact CD1-CB 4.04Å; F21-P24 HydrophobicContact CG-CB 3.92Å; P24-F33 CarbonylContact C-O 3.56Å; P24-F33 WeakPolarHBondContact CA-O 3.35Å; P24-T67 CarbonylContact O-C 3.5Å; P24-T67 VanDerWaalsContact O-CA 3.29Å; P24-T67 WeakPolarHBondContact O-CA 3.42Å; P24-T67 WeakPolarHBondContact O-CG2 3.48Å; P24-N68 HydrophobicContact CB-CB 4.48Å; P24-N68 PolarHBondContact O-N 2.82Å; P24-L71 HydrophobicContact CB-CB 3.97Å; P24-L71 HydrophobicContact CG-CB 3.66Å; P24-A72 HydrophobicContact CG-CB 4.07Å
25V90.7Very high87.7Confident2 Ų253.6 Ų53.61%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-116.4136.9168.3-68.30000108.4A23 S32 F33 R35 L38 L65A23-V25 PolarHBondContact O-N 3.17Å; V25-S32 WeakPolarHBondContact O-CA 3.23Å; V25-F33 WeakPolarHBondContact CG2-O 3.29Å; V25-F33 PolarHBondContact N-O 2.74Å; V25-F33 PolarHBondContact O-N 3.02Å; V25-R35 HydrophobicContact CG1-CB 3.93Å; V25-R35 HydrophobicContact CG1-CG 4.01Å; V25-R35 HydrophobicContact CG2-CB 4.47Å; V25-L38 HydrophobicContact CG2-CB 4.37Å; V25-L38 HydrophobicContact CG2-CD2 3.87Å; V25-L65 HydrophobicContact CB-CB 4.07Å; V25-L65 HydrophobicContact CB-CD1 4.11Å; V25-L65 HydrophobicContact CG1-CB 4.25Å; V25-L65 HydrophobicContact CG2-CD1 4.21Å
26T90.8Very high87.8Confident41 Ų4153 Ų5325%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-103.7118.1179-54.90000108.7G30 S32 L65 N68T26-G30 WeakPolarHBondContact CG2-O 3.44Å; T26-S32 PolarHBondContact OG1-OG 3.48Å; T26-L65 WeakPolarHBondContact O-CD2 3.48Å; T26-N68 PolarHBondContact OG1-ND2 2.89Å
27A86.4Confident87.9Confident5 Ų550.4 Ų50.44%0.04129%0.285CS..  trans-63.5160.7175.900000111C29 G30 H31 F33 T60A27-C29 PolarHBondContact O-N 2.76Å; A27-C29 VanDerWaalsContact O-N 3.1Å; A27-G30 PolarHBondContact O-N 3.05Å; A27-H31 WeakPolarHBondContact CB-O 3.4Å; A27-H31 PolarHBondContact N-O 3.38Å; A27-F33 HydrophobicContact CB-CE2 4.41Å; A27-T60 HydrophobicContact CB-CG2 3.75Å
28E85.1Confident87.7Confident130 Ų13048.5 Ų48.561%0.60727%0.271SS*.THydrogen-bonded Turntrans-60.9-24.2-179.7-65.3171175.500112.5G30E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.09Å
29C87.9Confident87.5Confident47 Ų4744.7 Ų44.732%0.31826%0.262SS..THydrogen-bonded Turntrans-78.7-3.1172.762.30000115A27 A58A27-C29 PolarHBondContact O-N 2.76Å; A27-C29 VanDerWaalsContact O-N 3.1Å; C29-A58 HydrophobicContact CB-CB 3.77Å
30G85.1Confident87.4Confident49 Ų4947.5 Ų47.551%0.50527%0.268SS..SBendtrans91.9-10.9179.600000115.8T26 A27 E28T26-G30 WeakPolarHBondContact CG2-O 3.44Å; A27-G30 PolarHBondContact O-N 3.05Å; E28-G30 VanDerWaalsContact C-N 3.29Å; E28-G30 PolarHBondContact O-N 3.09Å
31H89.2Confident86.9Confident76 Ų7649.5 Ų49.535%0.35228%0.281SS..  trans-73136.8175.1-68.3104.6000111.7A27 F33A27-H31 WeakPolarHBondContact CB-O 3.4Å; A27-H31 PolarHBondContact N-O 3.38Å; H31-F33 HydrophobicContact CB-CE2 3.73Å; H31-F33 HydrophobicContact CB-CZ 3.8Å
32S91.1Very high85.9Confident22 Ų2249.7 Ų49.715%0.15429%0.286CS..EExtended strand (participates in β ladder)trans-108.3142.4-178.9-610000112.2F21 V25 T26F21-S32 VanDerWaalsContact CE1-C 3.5Å; F21-S32 VanDerWaalsContact CE1-O 3.27Å; F21-S32 WeakPolarHBondContact CE1-O 3.3Å; V25-S32 WeakPolarHBondContact O-CA 3.23Å; T26-S32 PolarHBondContact OG1-OG 3.48Å
33F90.1Very high84.8Confident0 Ų046.5 Ų46.50%028%0.282CS..EExtended strand (participates in β ladder)trans-141.9157-178.2-54.5-79.6000109.7P15 L16 P24 V25 A27 H31 R35 L38 P54 C55P15-F33 HydrophobicContact CG-CD1 3.78Å; P15-F33 HydrophobicContact CG-CE1 3.65Å; L16-F33 HydrophobicContact CD1-CB 4.41Å; L16-F33 HydrophobicContact CD1-CD1 3.53Å; L16-F33 HydrophobicContact CD1-CE1 4.13Å; L16-F33 HydrophobicContact CD1-CG 4.21Å; L16-F33 HydrophobicContact CG-CD1 3.77Å; L16-F33 HydrophobicContact CG-CE1 4.15Å; P24-F33 CarbonylContact C-O 3.56Å; P24-F33 WeakPolarHBondContact CA-O 3.35Å; V25-F33 WeakPolarHBondContact CG2-O 3.29Å; V25-F33 PolarHBondContact N-O 2.74Å; V25-F33 PolarHBondContact O-N 3.02Å; A27-F33 HydrophobicContact CB-CE2 4.41Å; H31-F33 HydrophobicContact CB-CE2 3.73Å; H31-F33 HydrophobicContact CB-CZ 3.8Å; F33-R35 PolarHBondContact O-N 3.41Å; F33-L38 HydrophobicContact CB-CB 4.01Å; F33-L38 HydrophobicContact CD2-CD1 4Å; F33-L38 HydrophobicContact CD2-CD2 4.4Å; F33-L38 HydrophobicContact CE2-CD1 4.38Å; F33-L38 HydrophobicContact CG-CB 4.49Å; F33-L38 HydrophobicContact CG-CD1 4.42Å; F33-P54 HydrophobicContact CE1-CB 4.31Å; F33-P54 HydrophobicContact CE1-CG 4.37Å; F33-P54 HydrophobicContact CZ-CB 4.41Å; F33-P54 HydrophobicContact CZ-CG 4.35Å; F33-C55 WeakPolarHBondContact CE1-SG 3.35Å; F33-C55 HydrophobicContact CZ-CB 4.3Å; F33-C55 VanDerWaalsContact CZ-SG 3.51Å
34C90.8Very high83.5Confident6 Ų654.3 Ų54.34%0.04131%0.312CS..EExtended strand (participates in β ladder)trans-63138.9164.3-55.20000109.3C14 D22 A36 C37 L38C14-C34 WeakPolarHBondContact CB-SG 3.38Å; C14-C34 PolarHBondContact SG-N 3.29Å; C14-C34 VanDerWaalsContact SG-N 3.4Å; D22-C34 PolarHBondContact N-SG 3.42Å; D22-C34 VanDerWaalsContact O-CA 3.32Å; D22-C34 WeakPolarHBondContact O-CA 3.48Å; D22-C34 WeakPolarHBondContact O-CB 3.42Å; C34-A36 PolarHBondContact O-N 2.92Å; C34-C37 HydrophobicContact CB-CB 3.97Å; C34-C37 WeakPolarHBondContact O-CA 3.32Å; C34-C37 WeakPolarHBondContact O-CB 3.46Å; C34-C37 PolarHBondContact O-N 2.87Å; C34-L38 PolarHBondContact O-N 3.09Å
35R88.2Confident82.2Confident107 Ų10757.5 Ų57.540%0.40433%0.333SS..Hα-helixtrans-50.6-44.8179.5-169.8177.2-17196.76.4112.3A23 V25 F33 G39 L65A23-R35 HydrophobicContact CB-CB 4.21Å; A23-R35 WeakPolarHBondContact O-CB 3.46Å; A23-R35 PolarHBondContact O-N 3.27Å; V25-R35 HydrophobicContact CG1-CB 3.93Å; V25-R35 HydrophobicContact CG1-CG 4.01Å; V25-R35 HydrophobicContact CG2-CB 4.47Å; F33-R35 PolarHBondContact O-N 3.41Å; R35-G39 PolarHBondContact O-N 3.19Å; R35-G39 VanDerWaalsContact O-N 3.07Å; R35-L65 PolarHBondContact NH1-O 2.86Å
36A87.5Confident80.9Confident56 Ų5659.9 Ų59.946%0.46335%0.353SS..Hα-helixtrans-67.7-33.917700000113.1C34 R40C34-A36 PolarHBondContact O-N 2.92Å; A36-R40 WeakPolarHBondContact O-CB 3.45Å; A36-R40 VanDerWaalsContact O-CG 3.31Å; A36-R40 WeakPolarHBondContact O-CG 3.44Å; A36-R40 PolarHBondContact O-N 3.27Å; A36-R40 VanDerWaalsContact O-N 3.1Å; A36-R40 PolarHBondContact O-NE 3.5Å
37C88.4Confident79.6Confident7 Ų763.8 Ų63.85%0.04739%0.389CS..Hα-helixtrans-71.6-44.1179.4-69.10000111.6L16 C34 G39 R40 V41L16-C37 HydrophobicContact CB-CB 3.96Å; L16-C37 HydrophobicContact CD1-CB 3.79Å; C34-C37 HydrophobicContact CB-CB 3.97Å; C34-C37 WeakPolarHBondContact O-CA 3.32Å; C34-C37 WeakPolarHBondContact O-CB 3.46Å; C34-C37 PolarHBondContact O-N 2.87Å; C37-G39 VanDerWaalsContact C-N 3.34Å; C37-G39 PolarHBondContact O-N 3.34Å; C37-R40 PolarHBondContact O-N 3.01Å; C37-R40 PolarHBondContact SG-NH2 2.7Å; C37-R40 VanDerWaalsContact SG-NH2 3.36Å; C37-V41 WeakPolarHBondContact O-CG2 3.31Å; C37-V41 PolarHBondContact O-N 2.89Å
38L85.5Confident78.7Confident4 Ų467.8 Ų67.82%0.02141%0.41CS..Hα-helixtrans-63.1-42.4174.7-174.262.2000111.2V25 F33 C34 R40 V41 A42 P54 P62 L65V25-L38 HydrophobicContact CG2-CB 4.37Å; V25-L38 HydrophobicContact CG2-CD2 3.87Å; F33-L38 HydrophobicContact CB-CB 4.01Å; F33-L38 HydrophobicContact CD2-CD1 4Å; F33-L38 HydrophobicContact CD2-CD2 4.4Å; F33-L38 HydrophobicContact CE2-CD1 4.38Å; F33-L38 HydrophobicContact CG-CB 4.49Å; F33-L38 HydrophobicContact CG-CD1 4.42Å; C34-L38 PolarHBondContact O-N 3.09Å; L38-R40 VanDerWaalsContact C-N 3.27Å; L38-R40 PolarHBondContact O-N 3.5Å; L38-V41 PolarHBondContact O-N 3.14Å; L38-A42 WeakPolarHBondContact O-CB 3.07Å; L38-A42 PolarHBondContact O-N 2.73Å; L38-P54 HydrophobicContact CD1-CG 4.14Å; L38-P62 HydrophobicContact CD2-CB 4.22Å; L38-P62 HydrophobicContact CD2-CG 4.38Å; L38-P62 HydrophobicContact CG-CB 4.42Å; L38-P62 HydrophobicContact CG-CG 4.39Å; L38-L65 HydrophobicContact CD2-CD1 3.78Å
39G80.4Confident78Confident47 Ų4762.6 Ų62.649%0.48539%0.392SS..Hα-helixtrans-64.7-25.5177.300000114.8R35 C37R35-G39 PolarHBondContact O-N 3.19Å; R35-G39 VanDerWaalsContact O-N 3.07Å; C37-G39 VanDerWaalsContact C-N 3.34Å; C37-G39 PolarHBondContact O-N 3.34Å
40R81.4Confident77.5Confident185 Ų18561.7 Ų61.770%0.69839%0.385SS*.Hα-helixtrans-82.5-34.1176.3-78.1-175.5-66.1-145.22.6113.6A36 C37 L38A36-R40 WeakPolarHBondContact O-CB 3.45Å; A36-R40 VanDerWaalsContact O-CG 3.31Å; A36-R40 WeakPolarHBondContact O-CG 3.44Å; A36-R40 PolarHBondContact O-N 3.27Å; A36-R40 VanDerWaalsContact O-N 3.1Å; A36-R40 PolarHBondContact O-NE 3.5Å; C37-R40 PolarHBondContact O-N 3.01Å; C37-R40 PolarHBondContact SG-NH2 2.7Å; C37-R40 VanDerWaalsContact SG-NH2 3.36Å; L38-R40 VanDerWaalsContact C-N 3.27Å; L38-R40 PolarHBondContact O-N 3.5Å
41V74.3Confident77.3Confident83 Ų8360.3 Ų60.350%0.50337%0.366SS..Hα-helixtrans-85.6-25.3179.9-179.50000111.2L16 C37 L38 G43 P54L16-V41 HydrophobicContact CD1-CG2 3.98Å; L16-V41 HydrophobicContact CD2-CG2 4.31Å; C37-V41 WeakPolarHBondContact O-CG2 3.31Å; C37-V41 PolarHBondContact O-N 2.89Å; L38-V41 PolarHBondContact O-N 3.14Å; V41-G43 PolarHBondContact O-N 3.21Å; V41-P54 HydrophobicContact CB-CG 4.26Å; V41-P54 HydrophobicContact CG1-CB 4.2Å; V41-P54 HydrophobicContact CG1-CG 3.75Å
42A66Low77Confident19 Ų1961.8 Ų61.816%0.15738%0.376CS..  trans-61.1101.9163.800000110.3L38 V51 P62L38-A42 WeakPolarHBondContact O-CB 3.07Å; L38-A42 PolarHBondContact O-N 2.73Å; A42-V51 VanDerWaalsContact CA-CG1 3.47Å; A42-V51 HydrophobicContact CB-CB 4.17Å; A42-V51 HydrophobicContact CB-CG1 3.52Å; A42-V51 HydrophobicContact CB-CG2 3.8Å; A42-P62 HydrophobicContact CB-CG 4.35Å
43G62.5Low76.7Confident55 Ų5560.9 Ų60.957%0.56737%0.37SS*.  trans-64.3-162.4167.800000112.4V41 P45V41-G43 PolarHBondContact O-N 3.21Å; G43-P45 WeakPolarHBondContact O-CD 3.37Å; G43-P45 VanDerWaalsContact O-N 3.07Å
44E60.5Low76.5Confident200 Ų20063.2 Ų63.294%0.93539%0.385SS*.SBendtrans-54.7118.3175.2-71.1-166159.100110.1
45P63.6Low76.2Confident67 Ų6766 Ų6644%0.43540%0.404SS..PPolyproline II helixtrans-64.6146.1-177.224.5-31.8000110.1G43 V51G43-P45 WeakPolarHBondContact O-CD 3.37Å; G43-P45 VanDerWaalsContact O-N 3.07Å; P45-V51 HydrophobicContact CB-CG2 4.19Å
46A64.9Low76.2Confident52 Ų5263.7 Ų63.743%0.4340%0.403SS..PPolyproline II helixtrans-57.6163.6171.900000110.8D48 G49 T50A46-D48 WeakPolarHBondContact CB-OD1 3.18Å; A46-D48 PolarHBondContact O-N 3.29Å; A46-G49 PolarHBondContact O-N 3.49Å; A46-T50 PolarHBondContact N-O 3.5Å; A46-T50 VanDerWaalsContact N-O 3.12Å
47A63.1Low76.1Confident123 Ų12367.9 Ų67.9100%1.01741%0.414SS*.THydrogen-bonded Turntrans-55.6-17.4-176.600000114.5
48D66.9Low75.8Confident88 Ų8869 Ų6947%0.47142%0.423SS..THydrogen-bonded Turntrans-100.28.9176.573.4-18.5000114.2A46 T50A46-D48 WeakPolarHBondContact CB-OD1 3.18Å; A46-D48 PolarHBondContact O-N 3.29Å; D48-T50 VanDerWaalsContact C-N 3.33Å; D48-T50 PolarHBondContact O-N 3.08Å; D48-T50 WeakPolarHBondContact OD1-CB 3.32Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.46Å; D48-T50 PolarHBondContact OD1-N 3.12Å; D48-T50 VanDerWaalsContact OD1-N 3.12Å; D48-T50 PolarHBondContact OD1-OG1 3.16Å; D48-T50 VanDerWaalsContact OD2-CG2 3.25Å; D48-T50 WeakPolarHBondContact OD2-CG2 3.32Å; D48-T50 PolarHBondContact OD2-OG1 3.4Å
49G70.1Confident75.6Confident22 Ų2272.5 Ų72.523%0.22745%0.446CS..SBendtrans78.18.6179.500000115A46 Q63A46-G49 PolarHBondContact O-N 3.49Å; G49-Q63 PolarHBondContact O-OE1 3.31Å
50T77.1Confident75.6Confident28 Ų2870.4 Ų70.417%0.17242%0.424CS..  trans-87.5149.3-177.863.10000113.1A46 D48 T60 R61A46-T50 PolarHBondContact N-O 3.5Å; A46-T50 VanDerWaalsContact N-O 3.12Å; D48-T50 VanDerWaalsContact C-N 3.33Å; D48-T50 PolarHBondContact O-N 3.08Å; D48-T50 WeakPolarHBondContact OD1-CB 3.32Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.46Å; D48-T50 PolarHBondContact OD1-N 3.12Å; D48-T50 VanDerWaalsContact OD1-N 3.12Å; D48-T50 PolarHBondContact OD1-OG1 3.16Å; D48-T50 VanDerWaalsContact OD2-CG2 3.25Å; D48-T50 WeakPolarHBondContact OD2-CG2 3.32Å; D48-T50 PolarHBondContact OD2-OG1 3.4Å; T50-T60 WeakPolarHBondContact CA-O 3.27Å; T50-R61 HydrophobicContact CG2-CG 3.59Å
51V81.6Confident75.7Confident19 Ų1967.1 Ų67.112%0.11541%0.411CS..EExtended strand (participates in β ladder)trans-137145.2178.4-178.20000108.4A42 P45 P59 T60 P62A42-V51 VanDerWaalsContact CA-CG1 3.47Å; A42-V51 HydrophobicContact CB-CB 4.17Å; A42-V51 HydrophobicContact CB-CG1 3.52Å; A42-V51 HydrophobicContact CB-CG2 3.8Å; P45-V51 HydrophobicContact CB-CG2 4.19Å; V51-P59 CarbonylContact O-C 3.53Å; V51-T60 PolarHBondContact N-O 2.89Å; V51-T60 PolarHBondContact O-N 3.45Å; V51-P62 HydrophobicContact CB-CG 4.02Å; V51-P62 HydrophobicContact CG2-CG 3.81Å
52L83Confident75.9Confident108 Ų10864 Ų6457%0.56539%0.393SS*.EExtended strand (participates in β ladder)trans-74.3134.4176.9-54.4176.6000111.4P54 Q57L52-P54 WeakPolarHBondContact O-CD 3.5Å; L52-Q57 VanDerWaalsContact CD2-O 3.32Å; L52-Q57 WeakPolarHBondContact CD2-O 3.43Å
53C85Confident76.4Confident3 Ų369.1 Ų69.12%0.0241%0.414CS..  trans-59.9126.8174.3175.90000110.4C55 C56 Q57 A58C53-C55 PolarHBondContact O-N 2.84Å; C53-C55 VanDerWaalsContact O-N 3.09Å; C53-C56 PolarHBondContact O-N 3.31Å; C53-C56 VanDerWaalsContact SG-SG 3.64Å; C53-Q57 WeakPolarHBondContact O-CA 3.15Å; C53-Q57 PolarHBondContact O-N 3.49Å; C53-A58 VanDerWaalsContact CB-O 3.28Å; C53-A58 WeakPolarHBondContact CB-O 3.29Å; C53-A58 PolarHBondContact N-O 2.99Å
54P84.8Confident77.2Confident49 Ų4970 Ų7032%0.31842%0.416SS..THydrogen-bonded Turntrans-59.5-24.7-179.2-2836.4000115L16 F33 L38 V41 L52L16-P54 HydrophobicContact CD1-CG 4.33Å; L16-P54 HydrophobicContact CD2-CB 4Å; L16-P54 HydrophobicContact CD2-CG 4.49Å; F33-P54 HydrophobicContact CE1-CB 4.31Å; F33-P54 HydrophobicContact CE1-CG 4.37Å; F33-P54 HydrophobicContact CZ-CB 4.41Å; F33-P54 HydrophobicContact CZ-CG 4.35Å; L38-P54 HydrophobicContact CD1-CG 4.14Å; V41-P54 HydrophobicContact CB-CG 4.26Å; V41-P54 HydrophobicContact CG1-CB 4.2Å; V41-P54 HydrophobicContact CG1-CG 3.75Å; L52-P54 WeakPolarHBondContact O-CD 3.5Å
55C86.1Confident78.4Confident64 Ų6461.4 Ų61.443%0.43238%0.376SS..THydrogen-bonded Turntrans-90.5-36.3-177.2-64.10000113.9F33 C53F33-C55 WeakPolarHBondContact CE1-SG 3.35Å; F33-C55 HydrophobicContact CZ-CB 4.3Å; F33-C55 VanDerWaalsContact CZ-SG 3.51Å; C53-C55 PolarHBondContact O-N 2.84Å; C53-C55 VanDerWaalsContact O-N 3.09Å
56C87.9Confident79.4Confident58 Ų5863 Ų6339%0.39239%0.389SS..THydrogen-bonded Turntrans-134.41.9-170.367.20000114.3C53 A58C53-C56 PolarHBondContact O-N 3.31Å; C53-C56 VanDerWaalsContact SG-SG 3.64Å; C56-A58 PolarHBondContact O-N 3.46Å
57Q84.2Confident80.5Confident145 Ų14562.6 Ų62.668%0.67838%0.381SS*.  trans60.18.8-178.5-53.9-172.11.500115.9L52 C53L52-Q57 VanDerWaalsContact CD2-O 3.32Å; L52-Q57 WeakPolarHBondContact CD2-O 3.43Å; C53-Q57 WeakPolarHBondContact O-CA 3.15Å; C53-Q57 PolarHBondContact O-N 3.49Å
58A83.8Confident81.8Confident30 Ų3059 Ų5925%0.24835%0.345CS..  trans-63140.6171.700000111.2C29 C53 C56C29-A58 HydrophobicContact CB-CB 3.77Å; C53-A58 VanDerWaalsContact CB-O 3.28Å; C53-A58 WeakPolarHBondContact CB-O 3.29Å; C53-A58 PolarHBondContact N-O 2.99Å; C56-A58 PolarHBondContact O-N 3.46Å
59P80.5Confident82.7Confident78 Ų7860.1 Ų60.151%0.50635%0.35SS..EExtended strand (participates in β ladder)trans-63.3143.1177.726.5-32.9000110.8V51V51-P59 CarbonylContact O-C 3.53Å
60T81.5Confident83.5Confident3 Ų365 Ų652%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-151.7147-179.1-76.40000108.9A27 T50 V51 P62 L65A27-T60 HydrophobicContact CB-CG2 3.75Å; T50-T60 WeakPolarHBondContact CA-O 3.27Å; V51-T60 PolarHBondContact N-O 2.89Å; V51-T60 PolarHBondContact O-N 3.45Å; T60-P62 WeakPolarHBondContact O-CD 3.5Å; T60-L65 HydrophobicContact CG2-CD1 3.8Å; T60-L65 HydrophobicContact CG2-CG 4.45Å
61R83.6Confident83.8Confident115 Ų11565 Ų6543%0.43437%0.366SS..  trans-107.493.8179.5-67.1-179.9176.8147.52.2111.2T50 Q63 A64 L65T50-R61 HydrophobicContact CG2-CG 3.59Å; R61-Q63 VanDerWaalsContact C-N 3.25Å; R61-Q63 PolarHBondContact O-N 3.33Å; R61-Q63 VanDerWaalsContact O-N 3.15Å; R61-A64 HydrophobicContact CB-CB 4.07Å; R61-A64 PolarHBondContact O-N 3.4Å; R61-L65 WeakPolarHBondContact O-CG 3.37Å; R61-L65 PolarHBondContact O-N 3.39Å
62P77.6Confident83.9Confident19 Ų1964.9 Ų64.912%0.12337%0.367CS..G310 helixtrans-59.2-32.9-171.2-24.134.8000114.1L38 A42 V51 T60 A64 L65L38-P62 HydrophobicContact CD2-CB 4.22Å; L38-P62 HydrophobicContact CD2-CG 4.38Å; L38-P62 HydrophobicContact CG-CB 4.42Å; L38-P62 HydrophobicContact CG-CG 4.39Å; A42-P62 HydrophobicContact CB-CG 4.35Å; V51-P62 HydrophobicContact CB-CG 4.02Å; V51-P62 HydrophobicContact CG2-CG 3.81Å; T60-P62 WeakPolarHBondContact O-CD 3.5Å; P62-A64 VanDerWaalsContact C-N 3.31Å; P62-A64 PolarHBondContact O-N 2.98Å; P62-L65 PolarHBondContact O-N 3.46Å
63Q76.1Confident83.9Confident125 Ų12567.1 Ų67.158%0.58437%0.368SS*.G310 helixtrans-71.7-25.9-178.9-57.280.47.100112.6G49 R61G49-Q63 PolarHBondContact O-OE1 3.31Å; R61-Q63 VanDerWaalsContact C-N 3.25Å; R61-Q63 PolarHBondContact O-N 3.33Å; R61-Q63 VanDerWaalsContact O-N 3.15Å
64A79.8Confident83.7Confident75 Ų7571.8 Ų71.862%0.6239%0.392SS*.G310 helixtrans-87.2-10.6179.300000113.2R61 P62R61-A64 HydrophobicContact CB-CB 4.07Å; R61-A64 PolarHBondContact O-N 3.4Å; P62-A64 VanDerWaalsContact C-N 3.31Å; P62-A64 PolarHBondContact O-N 2.98Å
65L84.6Confident83.5Confident19 Ų1970.2 Ų70.210%0.09938%0.382CS..PPolyproline II helixtrans-76.2128.3-179.7-58.5-178.2000111.3V25 T26 R35 L38 T60 R61 P62V25-L65 HydrophobicContact CB-CB 4.07Å; V25-L65 HydrophobicContact CB-CD1 4.11Å; V25-L65 HydrophobicContact CG1-CB 4.25Å; V25-L65 HydrophobicContact CG2-CD1 4.21Å; T26-L65 WeakPolarHBondContact O-CD2 3.48Å; R35-L65 PolarHBondContact NH1-O 2.86Å; L38-L65 HydrophobicContact CD2-CD1 3.78Å; T60-L65 HydrophobicContact CG2-CD1 3.8Å; T60-L65 HydrophobicContact CG2-CG 4.45Å; R61-L65 WeakPolarHBondContact O-CG 3.37Å; R61-L65 PolarHBondContact O-N 3.39Å; P62-L65 PolarHBondContact O-N 3.46Å
66S86.1Confident83Confident99 Ų9973 Ų7369%0.69239%0.388SS*.PPolyproline II helixtrans-84.2153.3165.956.50000110.5N68S66-N68 PolarHBondContact O-N 2.85Å
67T87.8Confident82.2Confident45 Ų4572.7 Ų72.728%0.27640%0.396SS..BIsolated β-bridgetrans-63.3129.8173.9-530000109.4A23 P24 L69A23-T67 HydrophobicContact CB-CG2 4.26Å; P24-T67 CarbonylContact O-C 3.5Å; P24-T67 VanDerWaalsContact O-CA 3.29Å; P24-T67 WeakPolarHBondContact O-CA 3.42Å; P24-T67 WeakPolarHBondContact O-CG2 3.48Å; T67-L69 VanDerWaalsContact C-N 3.32Å; T67-L69 PolarHBondContact O-N 3.21Å
68N89.1Confident81.4Confident46 Ų4668.4 Ų68.425%0.24638%0.377CS..  trans-70.889.8171.3-170.2-34.5000109.1P24 T26 S66 Q70 L71 A72P24-N68 HydrophobicContact CB-CB 4.48Å; P24-N68 PolarHBondContact O-N 2.82Å; T26-N68 PolarHBondContact OG1-ND2 2.89Å; S66-N68 PolarHBondContact O-N 2.85Å; N68-Q70 PolarHBondContact O-N 2.8Å; N68-Q70 PolarHBondContact OD1-N 3.38Å; N68-L71 HydrophobicContact CB-CB 4.13Å; N68-L71 HydrophobicContact CB-CD1 4.41Å; N68-L71 WeakPolarHBondContact ND2-CD1 3.3Å; N68-L71 PolarHBondContact O-N 2.98Å; N68-L71 PolarHBondContact OD1-N 2.83Å; N68-L71 VanDerWaalsContact OD1-N 3.1Å; N68-A72 PolarHBondContact O-N 3.07Å
69L86.9Confident80.5Confident112 Ų11270.3 Ų70.359%0.58639%0.392SS*.Hα-helixtrans-60.8-25.7-177.8-64.4175.2000113.1T67 R73T67-L69 VanDerWaalsContact C-N 3.32Å; T67-L69 PolarHBondContact O-N 3.21Å; L69-R73 WeakPolarHBondContact O-CB 3.36Å; L69-R73 WeakPolarHBondContact O-CG 3.41Å; L69-R73 PolarHBondContact O-N 3.44Å
70Q85.5Confident79.8Confident125 Ų12573.6 Ų73.658%0.58440%0.401SS*.Hα-helixtrans-72.5-46.3177.4-63.1-64.9-9.200110.9N68 A72 R73 L74N68-Q70 PolarHBondContact O-N 2.8Å; N68-Q70 PolarHBondContact OD1-N 3.38Å; Q70-A72 VanDerWaalsContact C-N 3.32Å; Q70-A72 PolarHBondContact O-N 3.27Å; Q70-R73 PolarHBondContact O-N 2.82Å; Q70-L74 VanDerWaalsContact O-CG 3.31Å; Q70-L74 WeakPolarHBondContact O-CG 3.22Å; Q70-L74 PolarHBondContact O-N 3.4Å
71L84.3Confident78.8Confident28 Ų2876.3 Ų76.315%0.14742%0.417CS..Hα-helixtrans-62.4-40173.6-108.4139.9000111.6L12 F21 P24 N68 L74 V75L12-L71 HydrophobicContact CD2-CD2 3.74Å; F21-L71 HydrophobicContact CD2-CD2 3.36Å; F21-L71 HydrophobicContact CE2-CD2 3.6Å; F21-L71 HydrophobicContact CG-CD2 4.2Å; P24-L71 HydrophobicContact CB-CB 3.97Å; P24-L71 HydrophobicContact CG-CB 3.66Å; N68-L71 HydrophobicContact CB-CB 4.13Å; N68-L71 HydrophobicContact CB-CD1 4.41Å; N68-L71 WeakPolarHBondContact ND2-CD1 3.3Å; N68-L71 PolarHBondContact O-N 2.98Å; N68-L71 PolarHBondContact OD1-N 2.83Å; N68-L71 VanDerWaalsContact OD1-N 3.1Å; L71-L74 PolarHBondContact O-N 3.23Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 3.41Å
72A83.8Confident78.1Confident17 Ų1774.2 Ų74.214%0.1442%0.419CS..Hα-helixtrans-60.8-46.1174.200000111.9P24 N68 Q70 L74 V75 E76P24-A72 HydrophobicContact CG-CB 4.07Å; N68-A72 PolarHBondContact O-N 3.07Å; Q70-A72 VanDerWaalsContact C-N 3.32Å; Q70-A72 PolarHBondContact O-N 3.27Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-L74 PolarHBondContact O-N 2.66Å; A72-V75 PolarHBondContact O-N 3.2Å; A72-E76 WeakPolarHBondContact O-CG 3.38Å; A72-E76 PolarHBondContact O-N 3.49Å
73R82.4Confident77.9Confident154 Ų15482.7 Ų82.758%0.58146%0.457SS*.Hα-helixtrans-63.2-35.9176.2-76.6172.2-178.1-176.90.6113.2L69 Q70 G77L69-R73 WeakPolarHBondContact O-CB 3.36Å; L69-R73 WeakPolarHBondContact O-CG 3.41Å; L69-R73 PolarHBondContact O-N 3.44Å; Q70-R73 PolarHBondContact O-N 2.82Å; R73-G77 PolarHBondContact O-N 3.23Å
74L82.1Confident78.1Confident101 Ų10179 Ų7953%0.52945%0.452SS..Hα-helixtrans-67.3-40.1175.9-71.5170.6000111.5L12 Q70 L71 A72 G77 L78L12-L74 HydrophobicContact CD1-CB 4.28Å; L12-L74 HydrophobicContact CD2-CB 4.31Å; L12-L74 HydrophobicContact CD2-CD1 4.49Å; Q70-L74 VanDerWaalsContact O-CG 3.31Å; Q70-L74 WeakPolarHBondContact O-CG 3.22Å; Q70-L74 PolarHBondContact O-N 3.4Å; L71-L74 PolarHBondContact O-N 3.23Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-L74 PolarHBondContact O-N 2.66Å; L74-G77 PolarHBondContact O-N 3.28Å; L74-L78 PolarHBondContact O-N 3.42Å; L74-L78 VanDerWaalsContact O-N 3.16Å
75V79.9Confident78.3Confident17 Ų1778.1 Ų78.110%0.10344%0.435CS..Hα-helixtrans-66.4-44.9173.7170.30000111.5L12 L20 F21 L71 A72 G77 L78 A79L12-V75 HydrophobicContact CB-CG2 4.32Å; L20-V75 HydrophobicContact CB-CG1 3.85Å; L20-V75 HydrophobicContact CD1-CG1 4.33Å; F21-V75 HydrophobicContact CB-CG2 4.04Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 3.41Å; A72-V75 PolarHBondContact O-N 3.2Å; V75-G77 VanDerWaalsContact C-N 3.29Å; V75-G77 PolarHBondContact O-N 2.81Å; V75-L78 PolarHBondContact O-N 3.06Å; V75-L78 VanDerWaalsContact O-N 3.13Å; V75-A79 PolarHBondContact O-N 3.43Å
76E75.2Confident78.2Confident121 Ų12177.8 Ų77.857%0.56544%0.435SS*.Hα-helixtrans-59.2-40.5174.7-75.8173-175.900111.9A72 L78 A79 Q80A72-E76 WeakPolarHBondContact O-CG 3.38Å; A72-E76 PolarHBondContact O-N 3.49Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 2.85Å; E76-A79 PolarHBondContact O-N 3.47Å; E76-Q80 PolarHBondContact O-N 2.89Å
77G70.8Confident77.8Confident53 Ų5381.3 Ų81.355%0.54644%0.44SS..Hα-helixtrans-66.2-27.5176.200000114R73 L74 V75R73-G77 PolarHBondContact O-N 3.23Å; L74-G77 PolarHBondContact O-N 3.28Å; V75-G77 VanDerWaalsContact C-N 3.29Å; V75-G77 PolarHBondContact O-N 2.81Å
78L68.8Low77.3Confident55 Ų5586.6 Ų86.629%0.28846%0.462SS..Hα-helixtrans-82.7-27.2173.9-86.1157000113.6L12 L74 V75 E76 Q80L12-L78 HydrophobicContact CD1-CD1 3.14Å; L12-L78 HydrophobicContact CG-CD1 4.42Å; L74-L78 PolarHBondContact O-N 3.42Å; L74-L78 VanDerWaalsContact O-N 3.16Å; V75-L78 PolarHBondContact O-N 3.06Å; V75-L78 VanDerWaalsContact O-N 3.13Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 2.85Å; L78-Q80 VanDerWaalsContact C-N 3.33Å
79A63.9Low76.8Confident69 Ų6987.7 Ų87.757%0.5747%0.465SS*.Hα-helixtrans-77.8-15.9-179.900000113.6V75 E76 V81V75-A79 PolarHBondContact O-N 3.43Å; E76-A79 PolarHBondContact O-N 3.47Å; A79-V81 PolarHBondContact O-N 3.1Å
80Q65.2Low76.3Confident147 Ų14786 Ų8669%0.68746%0.456SS*.  trans-82.3108.5176.7-69.9-178.119.300110.8E76 L78 P82E76-Q80 PolarHBondContact O-N 2.89Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; Q80-P82 VanDerWaalsContact O-CD 3.29Å; Q80-P82 WeakPolarHBondContact O-CD 3.44Å
81V62.4Low76Confident60 Ų6083.1 Ų83.136%0.36445%0.445SS..PPolyproline II helixtrans-67.6119.2169.8-169.50000108.6A79 H85 L90A79-V81 PolarHBondContact O-N 3.1Å; V81-H85 HydrophobicContact CG1-CB 3.89Å; V81-L90 HydrophobicContact CB-CD2 3.99Å; V81-L90 HydrophobicContact CG1-CD2 3.76Å; V81-L90 HydrophobicContact CG2-CD2 3.39Å
82P68.4Low76Confident72 Ų7285 Ų8547%0.46846%0.459SS..PPolyproline II helixtrans-65.3145.9177.7-1528.2000110.4Q80 G84 H85Q80-P82 VanDerWaalsContact O-CD 3.29Å; Q80-P82 WeakPolarHBondContact O-CD 3.44Å; P82-G84 PolarHBondContact O-N 3.2Å; P82-H85 WeakPolarHBondContact O-CB 3.25Å; P82-H85 PolarHBondContact O-N 3.24Å; P82-H85 VanDerWaalsContact O-N 3.11Å; P82-H85 PolarHBondContact O-ND1 2.76Å; P82-H85 VanDerWaalsContact O-ND1 3.15Å
83Q73.6Confident76.3Confident196 Ų19686.8 Ų86.892%0.91647%0.466SS*.THydrogen-bonded Turntrans-53137176.6-76.1-177.9-7.400110.9H85Q83-H85 PolarHBondContact O-ND1 3.42Å; Q83-H85 VanDerWaalsContact O-ND1 3.16Å
84G79.7Confident76.7Confident47 Ų4782.1 Ų82.149%0.48546%0.457SS..THydrogen-bonded Turntrans77.519.2-176.900000114.6P82 L93P82-G84 PolarHBondContact O-N 3.2Å; G84-L93 WeakPolarHBondContact O-CB 3.27Å; G84-L93 WeakPolarHBondContact O-CG 3.41Å; G84-L93 PolarHBondContact O-N 3Å
85H83.2Confident77.2Confident57 Ų5779.1 Ų79.126%0.26444%0.441SS..BIsolated β-bridgetrans-115.1153.3172.7-61.761000110.6V81 P82 Q83 L90 D91V81-H85 HydrophobicContact CG1-CB 3.89Å; P82-H85 WeakPolarHBondContact O-CB 3.25Å; P82-H85 PolarHBondContact O-N 3.24Å; P82-H85 VanDerWaalsContact O-N 3.11Å; P82-H85 PolarHBondContact O-ND1 2.76Å; P82-H85 VanDerWaalsContact O-ND1 3.15Å; Q83-H85 PolarHBondContact O-ND1 3.42Å; Q83-H85 VanDerWaalsContact O-ND1 3.16Å; H85-L90 PolarHBondContact CD2-O 3.39Å; H85-D91 CarbonylContact C-O 3.54Å; H85-D91 VanDerWaalsContact CA-O 3.29Å; H85-D91 WeakPolarHBondContact CA-O 3.2Å
86C82.9Confident77.9Confident13 Ų1380.1 Ų80.19%0.08844%0.443CS..  trans-69.5133.8177.61750000110.3E88 H89 L90 D91 L93 C105 C108C86-E88 VanDerWaalsContact C-N 3.29Å; C86-E88 PolarHBondContact O-N 3.32Å; C86-H89 HydrophobicContact CB-CB 4.4Å; C86-H89 PolarHBondContact SG-ND1 3.03Å; C86-L90 WeakPolarHBondContact O-CA 3.41Å; C86-L90 PolarHBondContact O-N 3.08Å; C86-D91 PolarHBondContact N-O 3.35Å; C86-L93 HydrophobicContact CB-CD2 3.9Å; C86-C105 HydrophobicContact CB-CB 3.62Å; C86-C105 VanDerWaalsContact CB-SG 3.57Å; C86-C108 VanDerWaalsContact SG-SG 3.63Å
87E79.1Confident78.8Confident173 Ų17374.4 Ų74.481%0.80842%0.416SS*.THydrogen-bonded Turntrans-65-32.7-179.3-61.7-177.916700112.7
88E76.6Confident79.7Confident156 Ų15673.8 Ų73.873%0.72940%0.399SS*.THydrogen-bonded Turntrans-84-39.2-177.9-63.3-175158.400113.2C86C86-E88 VanDerWaalsContact C-N 3.29Å; C86-E88 PolarHBondContact O-N 3.32Å
89H78.3Confident80.9Confident69 Ų6975.9 Ų75.932%0.31941%0.408SS..THydrogen-bonded Turntrans-109-10-170.2-58.596.6000113.1C86 D91 V107 C108C86-H89 HydrophobicContact CB-CB 4.4Å; C86-H89 PolarHBondContact SG-ND1 3.03Å; H89-D91 HydrophobicContact CB-CB 4.42Å; H89-D91 PolarHBondContact O-N 3Å; H89-V107 HydrophobicContact CB-CB 4.38Å; H89-V107 VanDerWaalsContact CD2-CG1 3.42Å; H89-V107 WeakPolarHBondContact CD2-CG1 3.43Å; H89-V107 WeakPolarHBondContact NE2-CG1 3.31Å; H89-C108 VanDerWaalsContact CE1-SG 3.54Å; H89-C108 PolarHBondContact ND1-SG 3.11Å
90L75.8Confident82.1Confident77 Ų7776.2 Ų76.240%0.40340%0.399SS..  trans55.515.3-175.2-52.7179.7000114.3V81 H85 C86V81-L90 HydrophobicContact CB-CD2 3.99Å; V81-L90 HydrophobicContact CG1-CD2 3.76Å; V81-L90 HydrophobicContact CG2-CD2 3.39Å; H85-L90 PolarHBondContact CD2-O 3.39Å; C86-L90 WeakPolarHBondContact O-CA 3.41Å; C86-L90 PolarHBondContact O-N 3.08Å
91D79.1Confident83.3Confident63 Ų6378.8 Ų78.834%0.33740%0.403SS..  trans-88147.7178.1-86.5-20.1000111.4H85 C86 H89 L93 C105 V107H85-D91 CarbonylContact C-O 3.54Å; H85-D91 VanDerWaalsContact CA-O 3.29Å; H85-D91 WeakPolarHBondContact CA-O 3.2Å; C86-D91 PolarHBondContact N-O 3.35Å; H89-D91 HydrophobicContact CB-CB 4.42Å; H89-D91 PolarHBondContact O-N 3Å; D91-L93 PolarHBondContact O-N 2.86Å; D91-C105 HydrophobicContact CB-CB 3.62Å; D91-V107 VanDerWaalsContact OD2-CG2 3.29Å; D91-V107 WeakPolarHBondContact OD2-CG2 3.06Å
92P84.7Confident84.7Confident69 Ų6977.7 Ų77.745%0.44840%0.4SS..BIsolated β-bridgetrans-56.1132.4176.5-21.930000112.7S94P92-S94 VanDerWaalsContact C-N 3.32Å; P92-S94 PolarHBondContact O-N 3.14Å; P92-S94 PolarHBondContact O-OG 3.25Å; P92-S94 VanDerWaalsContact O-OG 3.09Å
93L90.1Very high85.8Confident53 Ų5378.5 Ų78.528%0.27740%0.4SS..  trans-69.388.9172.3-62-179.7000109.6G84 C86 D91 L103G84-L93 WeakPolarHBondContact O-CB 3.27Å; G84-L93 WeakPolarHBondContact O-CG 3.41Å; G84-L93 PolarHBondContact O-N 3Å; C86-L93 HydrophobicContact CB-CD2 3.9Å; D91-L93 PolarHBondContact O-N 2.86Å; L93-L103 HydrophobicContact CB-CB 4.13Å; L93-L103 HydrophobicContact CD1-CB 4.32Å
94S90.4Very high86.7Confident57 Ų5769.6 Ų69.640%0.39936%0.359SS..  trans-112.7-5.9-169.647.50000113.2P92 V104 A122P92-S94 VanDerWaalsContact C-N 3.32Å; P92-S94 PolarHBondContact O-N 3.14Å; P92-S94 PolarHBondContact O-OG 3.25Å; P92-S94 VanDerWaalsContact O-OG 3.09Å; S94-V104 PolarHBondContact N-O 3.36Å; S94-A122 WeakPolarHBondContact O-CB 3.34Å; S94-A122 PolarHBondContact O-N 3.22Å
95I92.4Very high87.2Confident37 Ų3767.3 Ų67.319%0.1934%0.336CS..EExtended strand (participates in β ladder)trans-123.6134-176-53.8-62.7000109.2L103 V104 A109 L119 L120I95-L103 CarbonylContact O-C 3.53Å; I95-L103 WeakPolarHBondContact O-CA 3.38Å; I95-V104 HydrophobicContact CB-CG2 3.98Å; I95-V104 HydrophobicContact CG2-CG2 4.13Å; I95-V104 PolarHBondContact N-O 2.96Å; I95-V104 PolarHBondContact O-N 3.47Å; I95-A109 HydrophobicContact CB-CB 4.4Å; I95-A109 HydrophobicContact CG1-CB 4.29Å; I95-A109 HydrophobicContact CG2-CB 4.13Å; I95-L119 HydrophobicContact CG2-CB 3.73Å; I95-L119 HydrophobicContact CG2-CD1 4.36Å; I95-L119 HydrophobicContact CG2-CD2 4.17Å; I95-L119 HydrophobicContact CG2-CG 4.31Å; I95-L120 CarbonylContact C-O 3.34Å; I95-L120 WeakPolarHBondContact CA-O 3.29Å
96Y95.2Very high87.3Confident39 Ų3966 Ų6615%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-100.5125.4172.4-178.8-104.1000109.9E98 R101 L103 L119 L120 A125 L129Y96-E98 HydrophobicContact CD1-CG 4.12Å; Y96-E98 HydrophobicContact CE1-CG 4.08Å; Y96-R101 WeakPolarHBondContact OH-CA 3.33Å; Y96-L103 HydrophobicContact CD2-CD2 4.43Å; Y96-L103 HydrophobicContact CD2-CG 4.45Å; Y96-L119 WeakPolarHBondContact O-CA 3.21Å; Y96-L120 PolarHBondContact N-O 3.32Å; Y96-L120 PolarHBondContact O-N 2.87Å; Y96-A125 HydrophobicContact CD1-CB 3.7Å; Y96-A125 HydrophobicContact CG-CB 3.74Å; Y96-L129 HydrophobicContact CE1-CD1 4.44Å
97C93.5Very high87.5Confident0 Ų067.5 Ų67.50%035%0.347CS..EExtended strand (participates in β ladder)trans-89.7118.7171.8-176.90000110D100 R101 A102 H117 L119C97-D100 HydrophobicContact CB-CB 4.38Å; C97-D100 PolarHBondContact SG-OD2 3.29Å; C97-R101 VanDerWaalsContact O-CA 3.23Å; C97-R101 WeakPolarHBondContact O-CA 3.29Å; C97-R101 PolarHBondContact O-N 2.88Å; C97-A102 PolarHBondContact N-O 3.4Å; C97-A102 PolarHBondContact O-N 2.97Å; C97-H117 PolarHBondContact SG-ND1 3.36Å; C97-L119 HydrophobicContact CB-CD2 3.71Å
98E91.3Very high88Confident40 Ų4059.7 Ų59.719%0.18731%0.311CS..THydrogen-bonded Turntrans-72.6-33.2-178.4-69.9-171.890.200113.4Y96 R118 L120 R128Y96-E98 HydrophobicContact CD1-CG 4.12Å; Y96-E98 HydrophobicContact CE1-CG 4.08Å; E98-R118 HydrophobicContact CB-CB 4.47Å; E98-R118 PolarHBondContact N-O 3.04Å; E98-R118 IonicContact OE1-CZ 3.93Å; E98-R118 IonicContact OE1-NH1 2.97Å; E98-R118 PolarHBondContact OE1-NH1 2.77Å; E98-R118 WeakPolarHBondContact OE2-CD 3.48Å; E98-R118 WeakPolarHBondContact OE2-CG 3.48Å; E98-R118 IonicContact OE2-CZ 3.07Å; E98-R118 IonicContact OE2-NE 3.06Å; E98-R118 PolarHBondContact OE2-NE 3.36Å; E98-R118 IonicContact OE2-NH1 2.77Å; E98-R118 PolarHBondContact OE2-NH1 3.24Å; E98-L120 HydrophobicContact CG-CD1 3.85Å; E98-R128 VanDerWaalsContact CD-NH2 3.31Å; E98-R128 IonicContact OE1-CZ 3.18Å; E98-R128 IonicContact OE1-NH1 2.87Å; E98-R128 PolarHBondContact OE1-NH1 3.3Å; E98-R128 IonicContact OE1-NH2 2.63Å; E98-R128 PolarHBondContact OE1-NH2 2.85Å; E98-R128 IonicContact OE2-NH1 3.67Å
99Q92.8Very high88.5Confident100 Ų10052.7 Ų52.747%0.46728%0.28SS..THydrogen-bonded Turntrans-67-50.6178.6-75.479.5-5.500110.8R118Q99-R118 VanDerWaalsContact OE1-CB 3.31Å; Q99-R118 PolarHBondContact OE1-O 3.47Å
100D90.6Very high88.8Confident75 Ų7553.1 Ų53.140%0.40129%0.29SS..THydrogen-bonded Turntrans-90-7.8-174.1-50.7-49.2000112.6C97 A102 H114 H117C97-D100 HydrophobicContact CB-CB 4.38Å; C97-D100 PolarHBondContact SG-OD2 3.29Å; D100-A102 PolarHBondContact O-N 3.36Å; D100-H114 IonicContact OD2-CE1 2.81Å; D100-H114 PolarHBondContact OD2-CE1 3.22Å; D100-H114 IonicContact OD2-CG 2.67Å; D100-H114 IonicContact OD2-ND1 3.59Å; D100-H114 PolarHBondContact OD2-ND1 2.61Å; D100-H117 IonicContact OD1-CE1 3.6Å; D100-H117 IonicContact OD1-ND1 3.81Å; D100-H117 IonicContact OD2-CE1 3.14Å; D100-H117 PolarHBondContact OD2-CE1 3Å; D100-H117 IonicContact OD2-ND1 2.73Å; D100-H117 PolarHBondContact OD2-ND1 3.16Å
101R90.1Very high89.2Confident201 Ų20156 Ų5676%0.75831%0.305SS*.THydrogen-bonded Turntrans53.537.3-177.4-58.1-178.5179.6177.7-0.6113.5Y96 C97Y96-R101 WeakPolarHBondContact OH-CA 3.33Å; C97-R101 VanDerWaalsContact O-CA 3.23Å; C97-R101 WeakPolarHBondContact O-CA 3.29Å; C97-R101 PolarHBondContact O-N 2.88Å
102A91.1Very high89.5Confident37 Ų3754.4 Ų54.431%0.30630%0.304SS..EExtended strand (participates in β ladder)trans-124.3151.9-175.600000111.7C97 D100C97-A102 PolarHBondContact N-O 3.4Å; C97-A102 PolarHBondContact O-N 2.97Å; D100-A102 PolarHBondContact O-N 3.36Å
103L91.9Very high89.6Confident90 Ų9055.5 Ų55.547%0.47131%0.313SS..EExtended strand (participates in β ladder)trans-86.1131.4167.1-81.3168.6000109.1L93 I95 Y96 A122L93-L103 HydrophobicContact CB-CB 4.13Å; L93-L103 HydrophobicContact CD1-CB 4.32Å; I95-L103 CarbonylContact O-C 3.53Å; I95-L103 WeakPolarHBondContact O-CA 3.38Å; Y96-L103 HydrophobicContact CD2-CD2 4.43Å; Y96-L103 HydrophobicContact CD2-CG 4.45Å; L103-A122 HydrophobicContact CD2-CB 3.61Å
104V92.1Very high89.5Confident8 Ų854.5 Ų54.55%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-133.1158.1-175.5-56.20000110.2S94 I95 C108 A109S94-V104 PolarHBondContact N-O 3.36Å; I95-V104 HydrophobicContact CB-CG2 3.98Å; I95-V104 HydrophobicContact CG2-CG2 4.13Å; I95-V104 PolarHBondContact N-O 2.96Å; I95-V104 PolarHBondContact O-N 3.47Å; V104-C108 HydrophobicContact CB-CB 4.09Å; V104-A109 HydrophobicContact CG2-CB 4.32Å
105C89.8Confident89.5Confident0 Ų060.5 Ų60.50%032%0.321CS..  trans-82167.9173.272.60000111.9C86 D91 V107 C108 A109C86-C105 HydrophobicContact CB-CB 3.62Å; C86-C105 VanDerWaalsContact CB-SG 3.57Å; D91-C105 HydrophobicContact CB-CB 3.62Å; C105-V107 PolarHBondContact O-N 3.34Å; C105-C108 PolarHBondContact O-N 3.16Å; C105-C108 PolarHBondContact SG-N 3.15Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.38Å; C105-A109 VanDerWaalsContact O-N 3.09Å
106G86.6Confident89.1Confident30 Ų3062.4 Ų62.431%0.30935%0.349SS..Hα-helixtrans-61.2-29.6-179.300000114.4S110G106-S110 WeakPolarHBondContact O-CB 3.27Å; G106-S110 PolarHBondContact O-N 2.81Å; G106-S110 PolarHBondContact O-OG 3.13Å
107V86.8Confident89Confident44 Ų4463.8 Ų63.827%0.26736%0.357SS..Hα-helixtrans-73.2-48.3178-175.60000110.9H89 D91 C105 A109 S110 L111 G112H89-V107 HydrophobicContact CB-CB 4.38Å; H89-V107 VanDerWaalsContact CD2-CG1 3.42Å; H89-V107 WeakPolarHBondContact CD2-CG1 3.43Å; H89-V107 WeakPolarHBondContact NE2-CG1 3.31Å; D91-V107 VanDerWaalsContact OD2-CG2 3.29Å; D91-V107 WeakPolarHBondContact OD2-CG2 3.06Å; C105-V107 PolarHBondContact O-N 3.34Å; V107-A109 PolarHBondContact O-N 3.32Å; V107-S110 PolarHBondContact O-N 3.09Å; V107-L111 PolarHBondContact O-N 3.45Å; V107-G112 PolarHBondContact O-N 3.05Å
108C88Confident88.9Confident9 Ų970.5 Ų70.56%0.06138%0.382CS..Hα-helixtrans-56.3-38173.6-69.50000112.3C86 H89 V104 C105 G112 H114C86-C108 VanDerWaalsContact SG-SG 3.63Å; H89-C108 VanDerWaalsContact CE1-SG 3.54Å; H89-C108 PolarHBondContact ND1-SG 3.11Å; V104-C108 HydrophobicContact CB-CB 4.09Å; C105-C108 PolarHBondContact O-N 3.16Å; C105-C108 PolarHBondContact SG-N 3.15Å; C108-G112 CarbonylContact O-C 3.56Å; C108-G112 WeakPolarHBondContact O-CA 3.47Å; C108-G112 PolarHBondContact O-N 3.4Å; C108-H114 PolarHBondContact O-N 2.81Å
109A88.1Confident89Confident9 Ų971.1 Ų71.17%0.07439%0.387CS..Hα-helixtrans-67.5-42.4177.200000113.8I95 V104 C105 V107 L119I95-A109 HydrophobicContact CB-CB 4.4Å; I95-A109 HydrophobicContact CG1-CB 4.29Å; I95-A109 HydrophobicContact CG2-CB 4.13Å; V104-A109 HydrophobicContact CG2-CB 4.32Å; C105-A109 WeakPolarHBondContact O-CB 3.4Å; C105-A109 PolarHBondContact O-N 3.38Å; C105-A109 VanDerWaalsContact O-N 3.09Å; V107-A109 PolarHBondContact O-N 3.32Å; A109-L119 HydrophobicContact CB-CD1 3.52Å; A109-L119 WeakPolarHBondContact O-CD1 3.32Å
110S85.2Confident88.9Confident77 Ų7767.4 Ų67.454%0.53837%0.37SS..Hα-helixtrans-96.6-37.2-168.5-520000113.3G106 V107G106-S110 WeakPolarHBondContact O-CB 3.27Å; G106-S110 PolarHBondContact O-N 2.81Å; G106-S110 PolarHBondContact O-OG 3.13Å; V107-S110 PolarHBondContact O-N 3.09Å
111L83.9Confident89.1Confident138 Ų13866.9 Ų66.972%0.72337%0.37SS*.THydrogen-bonded Turntrans-125.7-17.6-170.7-61.6175.4000112.9V107V107-L111 PolarHBondContact O-N 3.45Å
112G84.6Confident89.1Confident29 Ų2958.5 Ų58.530%0.29935%0.345SS..SBendtrans-94.7-157-177.500000114.8V107 C108 H114 R115V107-G112 PolarHBondContact O-N 3.05Å; C108-G112 CarbonylContact O-C 3.56Å; C108-G112 WeakPolarHBondContact O-CA 3.47Å; C108-G112 PolarHBondContact O-N 3.4Å; G112-H114 PolarHBondContact O-N 3.09Å; G112-H114 VanDerWaalsContact O-N 3.16Å; G112-R115 VanDerWaalsContact O-CB 3.3Å; G112-R115 WeakPolarHBondContact O-CB 3.42Å; G112-R115 PolarHBondContact O-N 2.81Å
113S86.9Confident89Confident92 Ų9260.4 Ų60.464%0.64336%0.36SS*.THydrogen-bonded Turntrans-63.2-18.3-173510000115.3
114H88.9Confident89Confident32 Ų3261.1 Ų61.115%0.14836%0.361CS..THydrogen-bonded Turntrans-98.711.4-178.9-58.1-88.1000112.6D100 C108 G112 G116 H117 L119D100-H114 IonicContact OD2-CE1 2.81Å; D100-H114 PolarHBondContact OD2-CE1 3.22Å; D100-H114 IonicContact OD2-CG 2.67Å; D100-H114 IonicContact OD2-ND1 3.59Å; D100-H114 PolarHBondContact OD2-ND1 2.61Å; C108-H114 PolarHBondContact O-N 2.81Å; G112-H114 PolarHBondContact O-N 3.09Å; G112-H114 VanDerWaalsContact O-N 3.16Å; H114-G116 PolarHBondContact O-N 3.34Å; H114-H117 AromaticContact ND1-ND1 3.95Å; H114-H117 WeakPolarHBondContact O-CB 3.28Å; H114-H117 PolarHBondContact O-N 2.87Å; H114-H117 VanDerWaalsContact O-N 3.14Å; H114-L119 HydrophobicContact CB-CD2 4.36Å
115R88.8Confident89Confident184 Ų18460.9 Ų60.969%0.69436%0.36SS*.THydrogen-bonded Turntrans-63.4123.9177.9-176.8179.4176.9-171.6-0.3110.8G112 H117G112-R115 VanDerWaalsContact O-CB 3.3Å; G112-R115 WeakPolarHBondContact O-CB 3.42Å; G112-R115 PolarHBondContact O-N 2.81Å; R115-H117 VanDerWaalsContact C-N 3.33Å
116G85.4Confident89.1Confident76 Ų7666.3 Ų66.378%0.78439%0.385SS*.THydrogen-bonded Turntrans86.6-0.3-178.900000114.4H114H114-G116 PolarHBondContact O-N 3.34Å
117H93.3Very high89.4Confident68 Ų6867.4 Ų67.432%0.31539%0.392SS..SBendtrans-74.1169.5167-68.5-168.9000110.6C97 D100 H114 R115 L119C97-H117 PolarHBondContact SG-ND1 3.36Å; D100-H117 IonicContact OD1-CE1 3.6Å; D100-H117 IonicContact OD1-ND1 3.81Å; D100-H117 IonicContact OD2-CE1 3.14Å; D100-H117 PolarHBondContact OD2-CE1 3Å; D100-H117 IonicContact OD2-ND1 2.73Å; D100-H117 PolarHBondContact OD2-ND1 3.16Å; H114-H117 AromaticContact ND1-ND1 3.95Å; H114-H117 WeakPolarHBondContact O-CB 3.28Å; H114-H117 PolarHBondContact O-N 2.87Å; H114-H117 VanDerWaalsContact O-N 3.14Å; R115-H117 VanDerWaalsContact C-N 3.33Å; H117-L119 HydrophobicContact CB-CD2 4.12Å; H117-L119 PolarHBondContact O-N 3.38Å
118R90.9Very high89.5Confident141 Ų14168.7 Ų68.753%0.53239%0.391SS..  trans-86.8106175.3-167.4178-178.7-136.48.7107.7E98 Q99E98-R118 HydrophobicContact CB-CB 4.47Å; E98-R118 PolarHBondContact N-O 3.04Å; E98-R118 IonicContact OE1-CZ 3.93Å; E98-R118 IonicContact OE1-NH1 2.97Å; E98-R118 PolarHBondContact OE1-NH1 2.77Å; E98-R118 WeakPolarHBondContact OE2-CD 3.48Å; E98-R118 WeakPolarHBondContact OE2-CG 3.48Å; E98-R118 IonicContact OE2-CZ 3.07Å; E98-R118 IonicContact OE2-NE 3.06Å; E98-R118 PolarHBondContact OE2-NE 3.36Å; E98-R118 IonicContact OE2-NH1 2.77Å; E98-R118 PolarHBondContact OE2-NH1 3.24Å; Q99-R118 VanDerWaalsContact OE1-CB 3.31Å; Q99-R118 PolarHBondContact OE1-O 3.47Å
119L92.5Very high89.6Confident54 Ų5471.5 Ų71.528%0.28341%0.405SS..EExtended strand (participates in β ladder)trans-111.7139.1-171.4-58.2178.5000109.8I95 Y96 C97 A109 H114 H117I95-L119 HydrophobicContact CG2-CB 3.73Å; I95-L119 HydrophobicContact CG2-CD1 4.36Å; I95-L119 HydrophobicContact CG2-CD2 4.17Å; I95-L119 HydrophobicContact CG2-CG 4.31Å; Y96-L119 WeakPolarHBondContact O-CA 3.21Å; C97-L119 HydrophobicContact CB-CD2 3.71Å; A109-L119 HydrophobicContact CB-CD1 3.52Å; A109-L119 WeakPolarHBondContact O-CD1 3.32Å; H114-L119 HydrophobicContact CB-CD2 4.36Å; H117-L119 HydrophobicContact CB-CD2 4.12Å; H117-L119 PolarHBondContact O-N 3.38Å
120L91.4Very high89.8Confident21 Ų2177 Ų7711%0.1143%0.428CS..EExtended strand (participates in β ladder)trans-129.5147.6176.3-66.9166.9000109.5I95 Y96 E98 A122 A125 R128I95-L120 CarbonylContact C-O 3.34Å; I95-L120 WeakPolarHBondContact CA-O 3.29Å; Y96-L120 PolarHBondContact N-O 3.32Å; Y96-L120 PolarHBondContact O-N 2.87Å; E98-L120 HydrophobicContact CG-CD1 3.85Å; L120-A122 PolarHBondContact O-N 3.34Å; L120-A125 HydrophobicContact CB-CB 4.21Å; L120-R128 VanDerWaalsContact CD1-CZ 3.4Å; L120-R128 VanDerWaalsContact CD1-NH1 3.3Å
121P93.8Very high90.1Very high64 Ų6478.3 Ų78.342%0.41643%0.432SS..EExtended strand (participates in β ladder)trans-54.5138.1166.2-22.733.3000110.5A123 E124 A125P121-A123 PolarHBondContact O-N 2.81Å; P121-A123 VanDerWaalsContact O-N 3.17Å; P121-E124 HydrophobicContact CB-CB 4.24Å; P121-E124 WeakPolarHBondContact CD-OE2 3.24Å; P121-E124 HydrophobicContact CG-CB 4.45Å; P121-E124 WeakPolarHBondContact O-CB 3.45Å; P121-E124 PolarHBondContact O-N 3.37Å; P121-A125 PolarHBondContact O-N 2.9Å
122A91.3Very high90.4Very high26 Ų2675.4 Ų75.422%0.21542%0.415CS..Hα-helixtrans-56.1-36.5-178.100000112.3S94 L103 L120 H126S94-A122 WeakPolarHBondContact O-CB 3.34Å; S94-A122 PolarHBondContact O-N 3.22Å; L103-A122 HydrophobicContact CD2-CB 3.61Å; L120-A122 PolarHBondContact O-N 3.34Å; A122-H126 WeakPolarHBondContact O-CB 3.38Å; A122-H126 PolarHBondContact O-N 3.3Å
123A89.1Confident90.8Very high77 Ų7778.8 Ų78.864%0.63643%0.426SS*.Hα-helixtrans-63.9-40.9175.500000112.6P121 A127P121-A123 PolarHBondContact O-N 2.81Å; P121-A123 VanDerWaalsContact O-N 3.17Å; A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 3.09Å
124E92.4Very high91.1Very high104 Ų10478.5 Ų78.549%0.48642%0.422SS..Hα-helixtrans-70.7-45.6178.1-171.9-176.8161.200111.1P121 H126 A127 R128P121-E124 HydrophobicContact CB-CB 4.24Å; P121-E124 WeakPolarHBondContact CD-OE2 3.24Å; P121-E124 HydrophobicContact CG-CB 4.45Å; P121-E124 WeakPolarHBondContact O-CB 3.45Å; P121-E124 PolarHBondContact O-N 3.37Å; E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 2.91Å; E124-A127 PolarHBondContact O-N 2.87Å; E124-R128 WeakPolarHBondContact O-CB 3.42Å; E124-R128 PolarHBondContact O-N 3.22Å
125A91.7Very high91.4Very high3 Ų382.8 Ų82.83%0.02544%0.442CS..Hα-helixtrans-60.5-42.5175.100000111.6Y96 L120 P121 R128 L129Y96-A125 HydrophobicContact CD1-CB 3.7Å; Y96-A125 HydrophobicContact CG-CB 3.74Å; L120-A125 HydrophobicContact CB-CB 4.21Å; P121-A125 PolarHBondContact O-N 2.9Å; A125-R128 PolarHBondContact O-N 3.25Å; A125-L129 WeakPolarHBondContact O-CB 3.25Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.27Å; A125-L129 PolarHBondContact O-N 3.46Å
126H91.4Very high91.6Very high114 Ų11479.1 Ų79.153%0.52843%0.433SS..Hα-helixtrans-59.7-51.1174.4178.779.5000111.4A122 E124 R128 L129 K130A122-H126 WeakPolarHBondContact O-CB 3.38Å; A122-H126 PolarHBondContact O-N 3.3Å; E124-H126 VanDerWaalsContact C-N 3.32Å; E124-H126 PolarHBondContact O-N 2.91Å; H126-R128 VanDerWaalsContact C-N 3.31Å; H126-R128 PolarHBondContact O-N 3.37Å; H126-L129 PolarHBondContact O-N 2.84Å; H126-K130 WeakPolarHBondContact O-CB 3.41Å; H126-K130 PolarHBondContact O-N 3.22Å
127A92.1Very high92Very high54 Ų5481.7 Ų81.745%0.44642%0.422SS..Hα-helixtrans-57.3-46.1178.400000111.2A123 E124 K130 T131A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 3.09Å; E124-A127 PolarHBondContact O-N 2.87Å; A127-K130 PolarHBondContact O-N 3.47Å; A127-T131 WeakPolarHBondContact O-CG2 3.36Å; A127-T131 PolarHBondContact O-N 2.88Å; A127-T131 PolarHBondContact O-OG1 3.32Å
128R90.2Very high92.2Very high70 Ų7082.9 Ų82.926%0.26443%0.431SS..Hα-helixtrans-69.2-41.7-178.2-167.3-174.566.51677.1113.6E98 L120 E124 A125 H126 K130 T131 Q132E98-R128 VanDerWaalsContact CD-NH2 3.31Å; E98-R128 IonicContact OE1-CZ 3.18Å; E98-R128 IonicContact OE1-NH1 2.87Å; E98-R128 PolarHBondContact OE1-NH1 3.3Å; E98-R128 IonicContact OE1-NH2 2.63Å; E98-R128 PolarHBondContact OE1-NH2 2.85Å; E98-R128 IonicContact OE2-NH1 3.67Å; L120-R128 VanDerWaalsContact CD1-CZ 3.4Å; L120-R128 VanDerWaalsContact CD1-NH1 3.3Å; E124-R128 WeakPolarHBondContact O-CB 3.42Å; E124-R128 PolarHBondContact O-N 3.22Å; A125-R128 PolarHBondContact O-N 3.25Å; H126-R128 VanDerWaalsContact C-N 3.31Å; H126-R128 PolarHBondContact O-N 3.37Å; R128-K130 VanDerWaalsContact C-N 3.34Å; R128-T131 PolarHBondContact O-N 2.91Å; R128-T131 PolarHBondContact O-OG1 3.36Å; R128-Q132 WeakPolarHBondContact O-CG 3.46Å; R128-Q132 PolarHBondContact O-N 2.82Å
129L89.9Confident92.4Very high68 Ų6881.5 Ų81.536%0.35643%0.43SS..Hα-helixtrans-70.2-36.4176.4-69.9173.1000110.9Y96 A125 H126 T131 Q132 L133Y96-L129 HydrophobicContact CE1-CD1 4.44Å; A125-L129 WeakPolarHBondContact O-CB 3.25Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.27Å; A125-L129 PolarHBondContact O-N 3.46Å; H126-L129 PolarHBondContact O-N 2.84Å; L129-T131 VanDerWaalsContact C-N 3.33Å; L129-T131 PolarHBondContact O-N 3.33Å; L129-Q132 PolarHBondContact O-N 3.29Å; L129-Q132 VanDerWaalsContact O-N 3.16Å; L129-L133 PolarHBondContact O-N 3.16Å
130K92.3Very high92.6Very high126 Ų12684.3 Ų84.355%0.54845%0.445SS..Hα-helixtrans-66.5-33.3176.4-168.7172.7-173.8176.20112.5H126 A127 R128 Q132 L133 P134H126-K130 WeakPolarHBondContact O-CB 3.41Å; H126-K130 PolarHBondContact O-N 3.22Å; A127-K130 PolarHBondContact O-N 3.47Å; R128-K130 VanDerWaalsContact C-N 3.34Å; K130-Q132 VanDerWaalsContact C-N 3.29Å; K130-Q132 PolarHBondContact O-N 3.07Å; K130-L133 PolarHBondContact O-N 3.39Å; K130-P134 VanDerWaalsContact O-CD 3.25Å; K130-P134 WeakPolarHBondContact O-CD 3.42Å
131T92.1Very high92.8Very high103 Ų10387.9 Ų87.963%0.63246%0.461SS*.Hα-helixtrans-72.3-20.8173.654.10000113.4A127 R128 L129 P134A127-T131 WeakPolarHBondContact O-CG2 3.36Å; A127-T131 PolarHBondContact O-N 2.88Å; A127-T131 PolarHBondContact O-OG1 3.32Å; R128-T131 PolarHBondContact O-N 2.91Å; R128-T131 PolarHBondContact O-OG1 3.36Å; L129-T131 VanDerWaalsContact C-N 3.33Å; L129-T131 PolarHBondContact O-N 3.33Å; T131-P134 WeakPolarHBondContact O-CD 3.46Å
132Q90.5Very high92.9Very high78 Ų7889.3 Ų89.336%0.36446%0.462SS..Hα-helixtrans-79.6-26.9174.3-69.1176.62.100113.3R128 L129 K130 Q135 Q136R128-Q132 WeakPolarHBondContact O-CG 3.46Å; R128-Q132 PolarHBondContact O-N 2.82Å; L129-Q132 PolarHBondContact O-N 3.29Å; L129-Q132 VanDerWaalsContact O-N 3.16Å; K130-Q132 VanDerWaalsContact C-N 3.29Å; K130-Q132 PolarHBondContact O-N 3.07Å; Q132-Q135 WeakPolarHBondContact O-CB 3.27Å; Q132-Q135 PolarHBondContact O-N 3.4Å; Q132-Q135 VanDerWaalsContact O-N 3.12Å; Q132-Q136 PolarHBondContact O-N 2.73Å; Q132-Q136 VanDerWaalsContact O-N 3.08Å
133L92.4Very high93.2Very high100 Ų10089.9 Ų89.952%0.52447%0.467SS..Hα-helixtrans-56.7-43.9-178.3-77.2172.3000114.2L129 K130 Q135 Q136 K137L129-L133 PolarHBondContact O-N 3.16Å; K130-L133 PolarHBondContact O-N 3.39Å; L133-Q135 VanDerWaalsContact C-N 3.29Å; L133-Q135 PolarHBondContact O-N 3.44Å; L133-Q136 PolarHBondContact O-N 3.42Å; L133-K137 WeakPolarHBondContact O-CB 3.27Å; L133-K137 PolarHBondContact O-N 3.16Å
134P93.8Very high93.6Very high85 Ų8589 Ų8955%0.55246%0.455SS*.Hα-helixtrans-57.8-39.8175-26.834.7000113.3K130 T131 K137 L138K130-P134 VanDerWaalsContact O-CD 3.25Å; K130-P134 WeakPolarHBondContact O-CD 3.42Å; T131-P134 WeakPolarHBondContact O-CD 3.46Å; P134-K137 PolarHBondContact O-N 3.4Å; P134-L138 PolarHBondContact O-N 3.45Å
135Q93.2Very high93.8Very high123 Ų12389.3 Ų89.358%0.57546%0.458SS*.Hα-helixtrans-66.8-44178-174.1-177.36.900111.3Q132 L133 K137 L138 Q139Q132-Q135 WeakPolarHBondContact O-CB 3.27Å; Q132-Q135 PolarHBondContact O-N 3.4Å; Q132-Q135 VanDerWaalsContact O-N 3.12Å; L133-Q135 VanDerWaalsContact C-N 3.29Å; L133-Q135 PolarHBondContact O-N 3.44Å; Q135-K137 VanDerWaalsContact C-N 3.32Å; Q135-K137 PolarHBondContact O-N 2.9Å; Q135-L138 PolarHBondContact O-N 3.42Å; Q135-Q139 WeakPolarHBondContact O-CG 3.31Å; Q135-Q139 PolarHBondContact O-N 3.01Å
136Q93.9Very high94.1Very high106 Ų10696.7 Ų96.750%0.49549%0.485SS..Hα-helixtrans-63.6-38.7175.6-69.4179.6-1600111.9Q132 L133 Q139 L140Q132-Q136 PolarHBondContact O-N 2.73Å; Q132-Q136 VanDerWaalsContact O-N 3.08Å; L133-Q136 PolarHBondContact O-N 3.42Å; Q136-Q139 PolarHBondContact O-N 2.87Å; Q136-L140 PolarHBondContact O-N 3.13Å
137K94.8Very high94.3Very high131 Ų13198.3 Ų98.357%0.5749%0.491SS*.Hα-helixtrans-62-43.2174.2-177179.4177.6-1790111.4L133 P134 Q135 L140 Q141L133-K137 WeakPolarHBondContact O-CB 3.27Å; L133-K137 PolarHBondContact O-N 3.16Å; P134-K137 PolarHBondContact O-N 3.4Å; Q135-K137 VanDerWaalsContact C-N 3.32Å; Q135-K137 PolarHBondContact O-N 2.9Å; K137-L140 PolarHBondContact O-N 3.25Å; K137-Q141 VanDerWaalsContact O-CG 3.3Å; K137-Q141 WeakPolarHBondContact O-CG 3.3Å; K137-Q141 PolarHBondContact O-N 3.14Å
138L96.2Very high94.6Very high93 Ų93101.8 Ų101.849%0.48750%0.498SS..Hα-helixtrans-62.1-45.6176.3-173.668.2000111.2P134 Q135 L140 Q141 E142P134-L138 PolarHBondContact O-N 3.45Å; Q135-L138 PolarHBondContact O-N 3.42Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 3.31Å; L138-Q141 PolarHBondContact O-N 2.95Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; L138-E142 WeakPolarHBondContact O-CG 3.46Å; L138-E142 PolarHBondContact O-N 3.3Å
139Q95.6Very high94.9Very high112 Ų112105.4 Ų105.452%0.52352%0.515SS..Hα-helixtrans-58.8-41.1176-72.9178.3-19.700112.5Q135 Q136 A143Q135-Q139 WeakPolarHBondContact O-CG 3.31Å; Q135-Q139 PolarHBondContact O-N 3.01Å; Q136-Q139 PolarHBondContact O-N 2.87Å; Q139-A143 WeakPolarHBondContact O-CB 3.44Å; Q139-A143 PolarHBondContact O-N 3.02Å
140L95.6Very high95.3Very high113 Ų113105.1 Ų105.159%0.59252%0.519SS*.Hα-helixtrans-64-46174.5178.964.1000111.2Q136 K137 L138 E142 A143 C144Q136-L140 PolarHBondContact O-N 3.13Å; K137-L140 PolarHBondContact O-N 3.25Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 3.31Å; L140-E142 PolarHBondContact O-N 2.95Å; L140-A143 WeakPolarHBondContact O-CB 3.44Å; L140-A143 PolarHBondContact O-N 2.83Å; L140-A143 VanDerWaalsContact O-N 3.16Å; L140-C144 PolarHBondContact O-N 3.1Å; L140-C144 PolarHBondContact O-SG 2.91Å; L140-C144 VanDerWaalsContact O-SG 3.33Å
141Q96.4Very high95.5Very high95 Ų95102.8 Ų102.844%0.44452%0.515SS..Hα-helixtrans-61.3-43.1178.1-73.9175.7-38.800111.9K137 L138 A143 C144 M145K137-Q141 VanDerWaalsContact O-CG 3.3Å; K137-Q141 WeakPolarHBondContact O-CG 3.3Å; K137-Q141 PolarHBondContact O-N 3.14Å; L138-Q141 PolarHBondContact O-N 2.95Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 2.84Å; Q141-C144 PolarHBondContact O-N 3.18Å; Q141-M145 WeakPolarHBondContact O-CG 3.36Å; Q141-M145 PolarHBondContact O-N 3.32Å
142E96.6Very high95.8Very high95 Ų95100.3 Ų100.344%0.44451%0.505SS..Hα-helixtrans-63.8-36.5174.3-71.5174.3174.200112.4L138 L140 R146L138-E142 WeakPolarHBondContact O-CG 3.46Å; L138-E142 PolarHBondContact O-N 3.3Å; L140-E142 PolarHBondContact O-N 2.95Å; E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 VanDerWaalsContact O-CG 3.31Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 2.87Å; E142-R146 VanDerWaalsContact O-N 3.09Å; E142-R146 PolarHBondContact O-NE 2.82Å
143A96.8Very high96.1Very high38 Ų38100.6 Ų100.631%0.31451%0.512SS..Hα-helixtrans-67.3-43.6173.900000111.7Q139 L140 Q141 R146 K147Q139-A143 WeakPolarHBondContact O-CB 3.44Å; Q139-A143 PolarHBondContact O-N 3.02Å; L140-A143 WeakPolarHBondContact O-CB 3.44Å; L140-A143 PolarHBondContact O-N 2.83Å; L140-A143 VanDerWaalsContact O-N 3.16Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 2.84Å; A143-R146 PolarHBondContact O-N 3.5Å; A143-K147 WeakPolarHBondContact O-CG 3.49Å; A143-K147 PolarHBondContact O-N 3.48Å; A143-K147 VanDerWaalsContact O-N 3.07Å
144C97.1Very high96.4Very high58 Ų58101 Ų10139%0.39252%0.515SS..Hα-helixtrans-59-52.7174.3-71.30000111.1L140 Q141 R146 K147 E148L140-C144 PolarHBondContact O-N 3.1Å; L140-C144 PolarHBondContact O-SG 2.91Å; L140-C144 VanDerWaalsContact O-SG 3.33Å; Q141-C144 PolarHBondContact O-N 3.18Å; C144-R146 VanDerWaalsContact C-N 3.27Å; C144-R146 PolarHBondContact O-N 2.8Å; C144-K147 PolarHBondContact O-N 2.98Å; C144-E148 WeakPolarHBondContact O-CG 3.31Å; C144-E148 PolarHBondContact O-N 3.28Å
145M97.3Very high96.6Very high110 Ų110102.9 Ų102.954%0.54252%0.516SS..Hα-helixtrans-58.2-38.2178.8-73.2-177.674.100112.6Q141 K149Q141-M145 WeakPolarHBondContact O-CG 3.36Å; Q141-M145 PolarHBondContact O-N 3.32Å; M145-K149 WeakPolarHBondContact O-CG 3.44Å; M145-K149 PolarHBondContact O-N 3.49Å; M145-K149 VanDerWaalsContact O-N 3.1Å
146R97.3Very high96.8Very high158 Ų158102.4 Ų102.460%0.59651%0.513SS*.Hα-helixtrans-63-43.1174.7-80.9-177.5-73.1178.1-4.3111.7E142 A143 C144 K149 S150E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 VanDerWaalsContact O-CG 3.31Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 2.87Å; E142-R146 VanDerWaalsContact O-N 3.09Å; E142-R146 PolarHBondContact O-NE 2.82Å; A143-R146 PolarHBondContact O-N 3.5Å; C144-R146 VanDerWaalsContact C-N 3.27Å; C144-R146 PolarHBondContact O-N 2.8Å; R146-K149 PolarHBondContact O-N 3.4Å; R146-S150 PolarHBondContact O-N 3.38Å; R146-S150 VanDerWaalsContact O-N 3.14Å; R146-S150 PolarHBondContact O-OG 2.79Å
147K97Very high96.9Very high149 Ų149101.9 Ų101.965%0.64851%0.511SS*.Hα-helixtrans-71.1-38.8179.2-68.8-62.4-178.9-176.70112.5A143 C144 K149 S150 V151A143-K147 WeakPolarHBondContact O-CG 3.49Å; A143-K147 PolarHBondContact O-N 3.48Å; A143-K147 VanDerWaalsContact O-N 3.07Å; C144-K147 PolarHBondContact O-N 2.98Å; K147-K149 VanDerWaalsContact C-N 3.32Å; K147-K149 PolarHBondContact O-N 3.1Å; K147-S150 WeakPolarHBondContact O-CB 3.48Å; K147-S150 PolarHBondContact O-N 3.33Å; K147-S150 VanDerWaalsContact O-N 3.11Å; K147-V151 WeakPolarHBondContact O-CG2 3.47Å; K147-V151 PolarHBondContact O-N 3.36Å
148E97.8Very high97Very high126 Ų126100.9 Ų100.959%0.58951%0.511SS*.Hα-helixtrans-58.3-43.5173.1-72.6168177.100111.4C144 S150 V151 A152C144-E148 WeakPolarHBondContact O-CG 3.31Å; C144-E148 PolarHBondContact O-N 3.28Å; E148-S150 PolarHBondContact O-N 3.04Å; E148-V151 PolarHBondContact O-N 3.18Å; E148-A152 PolarHBondContact O-N 3.32Å
149K96.9Very high97.1Very high147 Ų147100.9 Ų100.964%0.63952%0.515SS*.Hα-helixtrans-60.6-43.3172.9-74.2179.5-179.9-176.60112.5M145 R146 K147 V151 A152 V153M145-K149 WeakPolarHBondContact O-CG 3.44Å; M145-K149 PolarHBondContact O-N 3.49Å; M145-K149 VanDerWaalsContact O-N 3.1Å; R146-K149 PolarHBondContact O-N 3.4Å; K147-K149 VanDerWaalsContact C-N 3.32Å; K147-K149 PolarHBondContact O-N 3.1Å; K149-V151 VanDerWaalsContact C-N 3.34Å; K149-A152 PolarHBondContact O-N 3.07Å; K149-V153 WeakPolarHBondContact O-CG2 3.33Å; K149-V153 PolarHBondContact O-N 2.9Å
150S97Very high97.1Very high62 Ų62100.2 Ų100.243%0.43451%0.512SS..Hα-helixtrans-63.4-39.5176.3-60.40000112.4R146 K147 E148 V153 L154R146-S150 PolarHBondContact O-N 3.38Å; R146-S150 VanDerWaalsContact O-N 3.14Å; R146-S150 PolarHBondContact O-OG 2.79Å; K147-S150 WeakPolarHBondContact O-CB 3.48Å; K147-S150 PolarHBondContact O-N 3.33Å; K147-S150 VanDerWaalsContact O-N 3.11Å; E148-S150 PolarHBondContact O-N 3.04Å; S150-V153 PolarHBondContact O-N 2.65Å; S150-L154 WeakPolarHBondContact O-CG 3.4Å; S150-L154 PolarHBondContact O-N 2.87Å; S150-L154 VanDerWaalsContact O-N 3.07Å
151V97.9Very high97.2Very high76 Ų7699 Ų9946%0.46151%0.509SS..Hα-helixtrans-62.2-48.6175.3169.70000110.3K147 E148 K149 V153 L154 E155K147-V151 WeakPolarHBondContact O-CG2 3.47Å; K147-V151 PolarHBondContact O-N 3.36Å; E148-V151 PolarHBondContact O-N 3.18Å; K149-V151 VanDerWaalsContact C-N 3.34Å; V151-V153 VanDerWaalsContact C-N 3.29Å; V151-V153 PolarHBondContact O-N 3.09Å; V151-L154 PolarHBondContact O-N 3.17Å; V151-E155 HydrophobicContact CG1-CG 4.25Å; V151-E155 WeakPolarHBondContact O-CG 3.46Å; V151-E155 PolarHBondContact O-N 2.83Å
152A97.6Very high97.2Very high52 Ų52100.5 Ų100.543%0.4352%0.516SS..Hα-helixtrans-59.3-38178.300000112.8E148 K149 H156E148-A152 PolarHBondContact O-N 3.32Å; K149-A152 PolarHBondContact O-N 3.07Å; A152-H156 WeakPolarHBondContact O-CB 3.18Å; A152-H156 PolarHBondContact O-N 3.49Å
153V97.7Very high97.2Very high84 Ų8499.4 Ų99.451%0.50951%0.511SS..Hα-helixtrans-63.6-44.3174170.80000111.2K149 S150 V151 H156 Q157K149-V153 WeakPolarHBondContact O-CG2 3.33Å; K149-V153 PolarHBondContact O-N 2.9Å; S150-V153 PolarHBondContact O-N 2.65Å; V151-V153 VanDerWaalsContact C-N 3.29Å; V151-V153 PolarHBondContact O-N 3.09Å; V153-H156 PolarHBondContact O-N 3.2Å; V153-Q157 WeakPolarHBondContact O-CG 3.34Å; V153-Q157 PolarHBondContact O-N 3.05Å
154L97.8Very high97.1Very high109 Ų109101.6 Ų101.657%0.57152%0.52SS*.Hα-helixtrans-67.2-38.9178.8-71172.8000112.3S150 V151 H156 Q157 L158S150-L154 WeakPolarHBondContact O-CG 3.4Å; S150-L154 PolarHBondContact O-N 2.87Å; S150-L154 VanDerWaalsContact O-N 3.07Å; V151-L154 PolarHBondContact O-N 3.17Å; L154-H156 VanDerWaalsContact C-N 3.35Å; L154-Q157 PolarHBondContact O-N 3.39Å; L154-L158 PolarHBondContact O-N 2.77Å
155E97.8Very high97.1Very high124 Ų124102.1 Ų102.158%0.57952%0.521SS*.Hα-helixtrans-61.6-43.3174.1-72.4175.3157.900111.1V151 L158 V159V151-E155 HydrophobicContact CG1-CG 4.25Å; V151-E155 WeakPolarHBondContact O-CG 3.46Å; V151-E155 PolarHBondContact O-N 2.83Å; E155-L158 WeakPolarHBondContact O-CB 3.48Å; E155-L158 PolarHBondContact O-N 2.96Å; E155-V159 PolarHBondContact O-N 2.99Å
156H97.2Very high97.1Very high112 Ų112103.1 Ų103.152%0.51952%0.519SS..Hα-helixtrans-61.9-45.6174.3-174.7-86.4000112.2A152 V153 L154 L158 V159 E160A152-H156 WeakPolarHBondContact O-CB 3.18Å; A152-H156 PolarHBondContact O-N 3.49Å; V153-H156 PolarHBondContact O-N 3.2Å; L154-H156 VanDerWaalsContact C-N 3.35Å; H156-L158 VanDerWaalsContact C-N 3.26Å; H156-L158 PolarHBondContact O-N 3.16Å; H156-V159 PolarHBondContact O-N 3.13Å; H156-V159 VanDerWaalsContact O-N 3.16Å; H156-E160 IonicContact CE1-OE1 3.9Å; H156-E160 PolarHBondContact CE1-OE1 3.19Å; H156-E160 IonicContact CE1-OE2 3.96Å; H156-E160 IonicContact ND1-OE1 3.44Å; H156-E160 IonicContact ND1-OE2 3.21Å; H156-E160 PolarHBondContact O-N 2.8Å
157Q96.6Very high96.9Very high95 Ų95100.9 Ų100.944%0.44452%0.515SS..Hα-helixtrans-61.3-35177.4-75.2-179.4-30.600112.3V153 L154 V159 E160 V161V153-Q157 WeakPolarHBondContact O-CG 3.34Å; V153-Q157 PolarHBondContact O-N 3.05Å; L154-Q157 PolarHBondContact O-N 3.39Å; Q157-V159 VanDerWaalsContact C-N 3.35Å; Q157-E160 PolarHBondContact O-N 2.97Å; Q157-V161 VanDerWaalsContact O-CG2 3.28Å; Q157-V161 WeakPolarHBondContact O-CG2 3.31Å; Q157-V161 PolarHBondContact O-N 3.4Å
158L97.5Very high96.6Very high111 Ų111100.5 Ų100.558%0.58151%0.514SS*.Hα-helixtrans-62.5-43.9175.6-170.666.4000111.2L154 E155 H156 V161 E162L154-L158 PolarHBondContact O-N 2.77Å; E155-L158 WeakPolarHBondContact O-CB 3.48Å; E155-L158 PolarHBondContact O-N 2.96Å; H156-L158 VanDerWaalsContact C-N 3.26Å; H156-L158 PolarHBondContact O-N 3.16Å; L158-V161 PolarHBondContact O-N 3.44Å; L158-E162 WeakPolarHBondContact O-CG 3.32Å; L158-E162 PolarHBondContact O-N 3.17Å; L158-E162 VanDerWaalsContact O-N 3.08Å
159V97.3Very high96.3Very high92 Ų92103.3 Ų103.356%0.55852%0.519SS*.Hα-helixtrans-64.4-42.7175.2177.80000111.4E155 H156 Q157 V161 E162 E163E155-V159 PolarHBondContact O-N 2.99Å; H156-V159 PolarHBondContact O-N 3.13Å; H156-V159 VanDerWaalsContact O-N 3.16Å; Q157-V159 VanDerWaalsContact C-N 3.35Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 3.12Å; V159-E162 PolarHBondContact O-N 3.47Å; V159-E163 WeakPolarHBondContact O-CB 3.5Å; V159-E163 PolarHBondContact O-N 2.8Å
160E96.8Very high96.1Very high99 Ų9998.4 Ų98.446%0.46351%0.51SS..Hα-helixtrans-60.6-38176-74.9-178.2141.700112.4H156 Q157 E163 T164H156-E160 IonicContact CE1-OE1 3.9Å; H156-E160 PolarHBondContact CE1-OE1 3.19Å; H156-E160 IonicContact CE1-OE2 3.96Å; H156-E160 IonicContact ND1-OE1 3.44Å; H156-E160 IonicContact ND1-OE2 3.21Å; H156-E160 PolarHBondContact O-N 2.8Å; Q157-E160 PolarHBondContact O-N 2.97Å; E160-E163 PolarHBondContact O-N 3.47Å; E160-T164 VanDerWaalsContact O-CB 3.32Å; E160-T164 WeakPolarHBondContact O-CB 3.13Å; E160-T164 PolarHBondContact O-N 3.45Å; E160-T164 PolarHBondContact O-OG1 2.94Å
161V97.1Very high95.6Very high87 Ų8798 Ų9853%0.52751%0.511SS..Hα-helixtrans-64.9-46.4175.4169.20000110.8Q157 L158 V159 E163 T164 V165Q157-V161 VanDerWaalsContact O-CG2 3.28Å; Q157-V161 WeakPolarHBondContact O-CG2 3.31Å; Q157-V161 PolarHBondContact O-N 3.4Å; L158-V161 PolarHBondContact O-N 3.44Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 3.12Å; V161-E163 VanDerWaalsContact C-N 3.34Å; V161-E163 PolarHBondContact O-N 2.96Å; V161-T164 PolarHBondContact O-N 2.74Å; V161-V165 HydrophobicContact CG1-CG2 4.48Å; V161-V165 VanDerWaalsContact O-CG2 3.32Å; V161-V165 WeakPolarHBondContact O-CG2 3.48Å; V161-V165 PolarHBondContact O-N 3.18Å
162E96.7Very high95.1Very high127 Ų12797.3 Ų97.359%0.59351%0.506SS*.Hα-helixtrans-60.4-44.3176.6-71.6-177.3166.200111.9L158 V159 V165 R166L158-E162 WeakPolarHBondContact O-CG 3.32Å; L158-E162 PolarHBondContact O-N 3.17Å; L158-E162 VanDerWaalsContact O-N 3.08Å; V159-E162 PolarHBondContact O-N 3.47Å; E162-V165 PolarHBondContact O-N 3.07Å; E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 PolarHBondContact O-N 3.4Å
163E96.4Very high94.7Very high72 Ų7296.5 Ų96.534%0.33650%0.503SS..Hα-helixtrans-59.3-48.8176.3-178.361.3-146.500110.7V159 E160 V161 V165 R166 Q167V159-E163 WeakPolarHBondContact O-CB 3.5Å; V159-E163 PolarHBondContact O-N 2.8Å; E160-E163 PolarHBondContact O-N 3.47Å; V161-E163 VanDerWaalsContact C-N 3.34Å; V161-E163 PolarHBondContact O-N 2.96Å; E163-V165 PolarHBondContact O-N 2.91Å; E163-R166 PolarHBondContact O-N 3.33Å; E163-R166 PolarHBondContact O-NH2 3.4Å; E163-R166 IonicContact OE1-CZ 3.5Å; E163-R166 IonicContact OE1-NH1 2.84Å; E163-R166 PolarHBondContact OE1-NH1 2.84Å; E163-R166 IonicContact OE1-NH2 2.94Å; E163-R166 PolarHBondContact OE1-NH2 3.14Å; E163-R166 IonicContact OE2-CZ 3.31Å; E163-R166 IonicContact OE2-NE 3.78Å; E163-R166 PolarHBondContact OE2-NE 2.87Å; E163-R166 IonicContact OE2-NH1 2.64Å; E163-R166 PolarHBondContact OE2-NH1 2.81Å; E163-R166 IonicContact OE2-NH2 3.52Å; E163-R166 PolarHBondContact OE2-NH2 3.47Å; E163-Q167 WeakPolarHBondContact O-CG 3.32Å; E163-Q167 PolarHBondContact O-N 3.11Å; E163-Q167 PolarHBondContact OE1-NE2 3.24Å
164T95.1Very high94.2Very high84 Ų8497.8 Ų97.852%0.51550%0.503SS..Hα-helixtrans-60-45.8178.4-58.40000111.7E160 V161 R166 Q167 F168E160-T164 VanDerWaalsContact O-CB 3.32Å; E160-T164 WeakPolarHBondContact O-CB 3.13Å; E160-T164 PolarHBondContact O-N 3.45Å; E160-T164 PolarHBondContact O-OG1 2.94Å; V161-T164 PolarHBondContact O-N 2.74Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 3.06Å; T164-Q167 PolarHBondContact O-N 3.5Å; T164-F168 WeakPolarHBondContact O-CB 3.34Å; T164-F168 PolarHBondContact O-N 2.99Å
165V96.1Very high93.6Very high68 Ų6896.3 Ų96.341%0.41249%0.494SS..Hα-helixtrans-63.1-41.4178169.20000110.9V161 E162 E163 F168 R169V161-V165 HydrophobicContact CG1-CG2 4.48Å; V161-V165 VanDerWaalsContact O-CG2 3.32Å; V161-V165 WeakPolarHBondContact O-CG2 3.48Å; V161-V165 PolarHBondContact O-N 3.18Å; E162-V165 PolarHBondContact O-N 3.07Å; E163-V165 PolarHBondContact O-N 2.91Å; V165-F168 PolarHBondContact O-N 2.91Å; V165-R169 WeakPolarHBondContact O-CG 3.38Å; V165-R169 PolarHBondContact O-N 2.72Å
166R96.7Very high93.1Very high131 Ų13194.4 Ų94.449%0.49449%0.487SS..Hα-helixtrans-66-41.7177.517217971.929120.3111.7E162 E163 T164 R169 G170E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 PolarHBondContact O-N 3.4Å; E163-R166 PolarHBondContact O-N 3.33Å; E163-R166 PolarHBondContact O-NH2 3.4Å; E163-R166 IonicContact OE1-CZ 3.5Å; E163-R166 IonicContact OE1-NH1 2.84Å; E163-R166 PolarHBondContact OE1-NH1 2.84Å; E163-R166 IonicContact OE1-NH2 2.94Å; E163-R166 PolarHBondContact OE1-NH2 3.14Å; E163-R166 IonicContact OE2-CZ 3.31Å; E163-R166 IonicContact OE2-NE 3.78Å; E163-R166 PolarHBondContact OE2-NE 2.87Å; E163-R166 IonicContact OE2-NH1 2.64Å; E163-R166 PolarHBondContact OE2-NH1 2.81Å; E163-R166 IonicContact OE2-NH2 3.52Å; E163-R166 PolarHBondContact OE2-NH2 3.47Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 3.06Å; R166-R169 PolarHBondContact O-N 2.83Å; R166-G170 PolarHBondContact O-N 2.87Å
167Q93.2Very high92.8Very high112 Ų11289.7 Ų89.752%0.52347%0.469SS..Hα-helixtrans-60.9-45.9173.7-71.9174.66.600111.5E163 T164 R169 G170 A171E163-Q167 WeakPolarHBondContact O-CG 3.32Å; E163-Q167 PolarHBondContact O-N 3.11Å; E163-Q167 PolarHBondContact OE1-NE2 3.24Å; T164-Q167 PolarHBondContact O-N 3.5Å; Q167-R169 PolarHBondContact O-N 3.1Å; Q167-G170 PolarHBondContact O-N 3.43Å; Q167-A171 PolarHBondContact O-N 2.84Å
168F90.6Very high92.3Very high140 Ų14089.3 Ų89.361%0.61447%0.466SS*.Hα-helixtrans-58.8-46.8175.9175.7-102.2000112.2T164 V165 G170 A171 V172T164-F168 WeakPolarHBondContact O-CB 3.34Å; T164-F168 PolarHBondContact O-N 2.99Å; V165-F168 PolarHBondContact O-N 2.91Å; F168-G170 VanDerWaalsContact C-N 3.3Å; F168-G170 PolarHBondContact O-N 3.46Å; F168-A171 PolarHBondContact O-N 3.36Å; F168-V172 HydrophobicContact CD1-CG2 4.45Å; F168-V172 HydrophobicContact CD2-CG2 4.41Å; F168-V172 HydrophobicContact CE1-CG2 4.02Å; F168-V172 HydrophobicContact CE2-CG2 3.97Å; F168-V172 HydrophobicContact CZ-CG2 3.76Å; F168-V172 WeakPolarHBondContact O-CG2 3.33Å; F168-V172 PolarHBondContact O-N 3.39Å
169R93.3Very high91.9Very high186 Ų18686.4 Ų86.470%0.70245%0.45SS*.Hα-helixtrans-61.2-39.6175.8-74.9-179.2178.7-164.61.2112.2V165 R166 Q167 G173V165-R169 WeakPolarHBondContact O-CG 3.38Å; V165-R169 PolarHBondContact O-N 2.72Å; R166-R169 PolarHBondContact O-N 2.83Å; Q167-R169 PolarHBondContact O-N 3.1Å; R169-G173 PolarHBondContact O-N 3.28Å
170G92.2Very high91.6Very high43 Ų4389.5 Ų89.544%0.44345%0.451SS..Hα-helixtrans-60.1-51.7174.800000111.9R166 Q167 F168 V172 G173 E174R166-G170 PolarHBondContact O-N 2.87Å; Q167-G170 PolarHBondContact O-N 3.43Å; F168-G170 VanDerWaalsContact C-N 3.3Å; F168-G170 PolarHBondContact O-N 3.46Å; G170-V172 PolarHBondContact O-N 2.83Å; G170-G173 PolarHBondContact O-N 2.97Å; G170-G173 VanDerWaalsContact O-N 3.13Å; G170-E174 PolarHBondContact O-N 2.94Å
171A86.3Confident91.3Very high54 Ų5489.8 Ų89.845%0.44646%0.46SS..Hα-helixtrans-59.7-45.2179.100000112.4Q167 F168 G173 E174 Q175Q167-A171 PolarHBondContact O-N 2.84Å; F168-A171 PolarHBondContact O-N 3.36Å; A171-G173 VanDerWaalsContact C-N 3.33Å; A171-G173 PolarHBondContact O-N 2.98Å; A171-E174 PolarHBondContact O-N 2.85Å; A171-Q175 WeakPolarHBondContact O-CG 3.48Å; A171-Q175 PolarHBondContact O-N 3.23Å; A171-Q175 VanDerWaalsContact O-N 3.09Å
172V87.1Confident91Very high61 Ų6187.6 Ų87.637%0.3744%0.443SS..Hα-helixtrans-61.9-42.9175171.60000111.1F168 G170 E174 L176F168-V172 HydrophobicContact CD1-CG2 4.45Å; F168-V172 HydrophobicContact CD2-CG2 4.41Å; F168-V172 HydrophobicContact CE1-CG2 4.02Å; F168-V172 HydrophobicContact CE2-CG2 3.97Å; F168-V172 HydrophobicContact CZ-CG2 3.76Å; F168-V172 WeakPolarHBondContact O-CG2 3.33Å; F168-V172 PolarHBondContact O-N 3.39Å; G170-V172 PolarHBondContact O-N 2.83Å; V172-E174 VanDerWaalsContact C-N 3.34Å; V172-E174 PolarHBondContact O-N 3.03Å; V172-L176 HydrophobicContact CG1-CD1 3.73Å; V172-L176 HydrophobicContact CG1-CG 4.25Å; V172-L176 WeakPolarHBondContact O-CB 3.48Å; V172-L176 WeakPolarHBondContact O-CG 3.29Å; V172-L176 PolarHBondContact O-N 3.48Å
173G89.5Confident90.7Very high35 Ų3585 Ų8536%0.36143%0.433SS..Hα-helixtrans-61.3-40.4178.400000113.1R169 G170 A171 G177R169-G173 PolarHBondContact O-N 3.28Å; G170-G173 PolarHBondContact O-N 2.97Å; G170-G173 VanDerWaalsContact O-N 3.13Å; A171-G173 VanDerWaalsContact C-N 3.33Å; A171-G173 PolarHBondContact O-N 2.98Å; G173-G177 WeakPolarHBondContact O-CA 3.31Å; G173-G177 PolarHBondContact O-N 3.2Å
174E87.6Confident90.4Very high111 Ų11184.4 Ų84.452%0.51944%0.44SS..Hα-helixtrans-67.5-52.2178.1-169.4-169.8151.600111.7G170 A171 V172 G177 K178G170-E174 PolarHBondContact O-N 2.94Å; A171-E174 PolarHBondContact O-N 2.85Å; V172-E174 VanDerWaalsContact C-N 3.34Å; V172-E174 PolarHBondContact O-N 3.03Å; E174-G177 WeakPolarHBondContact O-CA 3.25Å; E174-G177 PolarHBondContact O-N 3.23Å; E174-G177 VanDerWaalsContact O-N 3.09Å; E174-K178 PolarHBondContact O-N 3.37Å; E174-K178 WeakPolarHBondContact OE1-CE 3.16Å; E174-K178 IonicContact OE1-NZ 3.85Å; E174-K178 PolarHBondContact OE1-NZ 2.97Å
175Q83.7Confident90.2Very high78 Ų7883.3 Ų83.336%0.36444%0.44SS..Hα-helixtrans-63.5-49-176.9-68.2-61.9-22.300111.8A171 G177 K178 M179A171-Q175 WeakPolarHBondContact O-CG 3.48Å; A171-Q175 PolarHBondContact O-N 3.23Å; A171-Q175 VanDerWaalsContact O-N 3.09Å; Q175-G177 PolarHBondContact O-N 2.93Å; Q175-K178 PolarHBondContact O-N 2.78Å; Q175-M179 PolarHBondContact O-N 3.42Å
176L88.1Confident89.8Confident85 Ų8582 Ų8245%0.44543%0.43SS..Hα-helixtrans-67-27.7174.4-63.1-176.9000111.8V172 M179 R180V172-L176 HydrophobicContact CG1-CD1 3.73Å; V172-L176 HydrophobicContact CG1-CG 4.25Å; V172-L176 WeakPolarHBondContact O-CB 3.48Å; V172-L176 WeakPolarHBondContact O-CG 3.29Å; V172-L176 PolarHBondContact O-N 3.48Å; L176-M179 HydrophobicContact CD2-SD 3.8Å; L176-M179 PolarHBondContact O-N 3.47Å; L176-R180 WeakPolarHBondContact O-CG 3.49Å; L176-R180 PolarHBondContact O-N 3.1Å
177G90.9Very high89.5Confident13 Ų1381.7 Ų81.713%0.13444%0.435CS..Hα-helixtrans-60.2-49.1173.800000112.5G173 E174 Q175 M179 R180 V181G173-G177 WeakPolarHBondContact O-CA 3.31Å; G173-G177 PolarHBondContact O-N 3.2Å; E174-G177 WeakPolarHBondContact O-CA 3.25Å; E174-G177 PolarHBondContact O-N 3.23Å; E174-G177 VanDerWaalsContact O-N 3.09Å; Q175-G177 PolarHBondContact O-N 2.93Å; G177-M179 VanDerWaalsContact C-N 3.32Å; G177-M179 PolarHBondContact O-N 3.49Å; G177-R180 PolarHBondContact O-N 3.06Å; G177-V181 WeakPolarHBondContact O-CG2 3.44Å; G177-V181 PolarHBondContact O-N 2.64Å
178K86.6Confident89.4Confident86 Ų8677.7 Ų77.737%0.37442%0.423SS..Hα-helixtrans-57.2-45.4176-67.4171.8-174.2165.10111.3E174 Q175 R180 V181 F182 L284E174-K178 PolarHBondContact O-N 3.37Å; E174-K178 WeakPolarHBondContact OE1-CE 3.16Å; E174-K178 IonicContact OE1-NZ 3.85Å; E174-K178 PolarHBondContact OE1-NZ 2.97Å; Q175-K178 PolarHBondContact O-N 2.78Å; K178-R180 PolarHBondContact O-N 2.7Å; K178-V181 PolarHBondContact O-N 3.39Å; K178-F182 PolarHBondContact O-N 3.12Å; K178-L284 HydrophobicContact CB-CD2 3.69Å
179M89.1Confident89.4Confident50 Ų5073.8 Ų73.825%0.24641%0.413CS..Hα-helixtrans-60.1-46.1176.4-61.5173.777.100112.4Q175 L176 G177 V181 F182 L183 M280 L284Q175-M179 PolarHBondContact O-N 3.42Å; L176-M179 HydrophobicContact CD2-SD 3.8Å; L176-M179 PolarHBondContact O-N 3.47Å; G177-M179 VanDerWaalsContact C-N 3.32Å; G177-M179 PolarHBondContact O-N 3.49Å; M179-V181 PolarHBondContact O-N 3.41Å; M179-F182 PolarHBondContact O-N 3.43Å; M179-L183 WeakPolarHBondContact O-CG 3.43Å; M179-L183 PolarHBondContact O-N 3.06Å; M179-M280 HydrophobicContact CB-SD 4.14Å; M179-M280 HydrophobicContact CE-CE 3.58Å; M179-M280 HydrophobicContact CE-SD 3.73Å; M179-M280 HydrophobicContact CG-SD 4.11Å; M179-L284 HydrophobicContact CG-CD1 4.01Å; M179-L284 HydrophobicContact CG-CD2 3.82Å; M179-L284 HydrophobicContact CG-CG 4.42Å
180R89.9Confident89.1Confident157 Ų15767.5 Ų67.559%0.59239%0.393SS*.Hα-helixtrans-62.2-43.1178.7-72.2-173.2-47-99.40.7112.3L176 G177 K178 F182 L183 A184L176-R180 WeakPolarHBondContact O-CG 3.49Å; L176-R180 PolarHBondContact O-N 3.1Å; G177-R180 PolarHBondContact O-N 3.06Å; K178-R180 PolarHBondContact O-N 2.7Å; R180-F182 VanDerWaalsContact C-N 3.34Å; R180-L183 PolarHBondContact O-N 3.15Å; R180-A184 WeakPolarHBondContact O-CB 3.19Å; R180-A184 PolarHBondContact O-N 2.78Å
181V90.8Very high89Confident106 Ų10670.6 Ų70.664%0.64240%0.4SS*.Hα-helixtrans-62.4-44.3178.5171.80000110.6G177 K178 M179 A184 A185G177-V181 WeakPolarHBondContact O-CG2 3.44Å; G177-V181 PolarHBondContact O-N 2.64Å; K178-V181 PolarHBondContact O-N 3.39Å; M179-V181 PolarHBondContact O-N 3.41Å; V181-A184 PolarHBondContact O-N 3.49Å; V181-A185 WeakPolarHBondContact O-CB 3.35Å; V181-A185 PolarHBondContact O-N 2.85Å
182F90.6Very high89.2Confident41 Ų4176.5 Ų76.518%0.1841%0.411CS..Hα-helixtrans-59.9-49.4175.5172.7-93.4000112.1K178 M179 R180 A184 A185 L186 V276 K279 M280 A283K178-F182 PolarHBondContact O-N 3.12Å; M179-F182 PolarHBondContact O-N 3.43Å; R180-F182 VanDerWaalsContact C-N 3.34Å; F182-A184 PolarHBondContact O-N 3.12Å; F182-A185 PolarHBondContact O-N 2.79Å; F182-L186 HydrophobicContact CE1-CD2 4.37Å; F182-L186 PolarHBondContact O-N 2.88Å; F182-V276 HydrophobicContact CE1-CG1 4.17Å; F182-K279 HydrophobicContact CE2-CB 4.1Å; F182-K279 HydrophobicContact CZ-CB 3.69Å; F182-M280 HydrophobicContact CD1-CB 3.65Å; F182-M280 HydrophobicContact CD1-CG 3.67Å; F182-M280 HydrophobicContact CD1-SD 4.37Å; F182-M280 HydrophobicContact CE1-CB 3.51Å; F182-M280 HydrophobicContact CE1-CG 4.08Å; F182-M280 HydrophobicContact CG-CB 4.38Å; F182-M280 HydrophobicContact CG-CG 4.26Å; F182-M280 HydrophobicContact CZ-CB 4.12Å; F182-A283 HydrophobicContact CD2-CB 3.91Å; F182-A283 HydrophobicContact CE2-CB 4.5Å; F182-A283 HydrophobicContact CG-CB 4.49Å
183L90.3Very high89.3Confident71 Ų7176.7 Ų76.737%0.37241%0.407SS..Hα-helixtrans-62.1-43.4-179.4-70.4173.1000111.9M179 R180 A185 L186 E187 V276M179-L183 WeakPolarHBondContact O-CG 3.43Å; M179-L183 PolarHBondContact O-N 3.06Å; R180-L183 PolarHBondContact O-N 3.15Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.01Å; L183-L186 PolarHBondContact O-N 2.85Å; L183-E187 WeakPolarHBondContact O-CG 3.42Å; L183-E187 PolarHBondContact O-N 3.08Å; L183-V276 HydrophobicContact CD2-CG1 4.29Å
184A91.3Very high89.2Confident60 Ų6076.9 Ų76.950%0.49641%0.406SS..Hα-helixtrans-62.9-39.5176.300000112.3R180 V181 F182 G188R180-A184 WeakPolarHBondContact O-CB 3.19Å; R180-A184 PolarHBondContact O-N 2.78Å; V181-A184 PolarHBondContact O-N 3.49Å; F182-A184 PolarHBondContact O-N 3.12Å; A184-G188 PolarHBondContact O-N 2.88Å
185A89.6Confident89.4Confident61 Ų6176 Ų7650%0.50440%0.401SS..Hα-helixtrans-66.1-39.3176.100000112V181 F182 L183 S189V181-A185 WeakPolarHBondContact O-CB 3.35Å; V181-A185 PolarHBondContact O-N 2.85Å; F182-A185 PolarHBondContact O-N 2.79Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.01Å; A185-S189 PolarHBondContact O-N 3.48Å
186L89.3Confident89.7Confident40 Ų4077.5 Ų77.521%0.20940%0.403CS..Hα-helixtrans-65.1-48.8175.8176.265.7000111.5F182 L183 G188 S189 L190 V276F182-L186 HydrophobicContact CE1-CD2 4.37Å; F182-L186 PolarHBondContact O-N 2.88Å; L183-L186 PolarHBondContact O-N 2.85Å; L186-G188 VanDerWaalsContact C-N 3.32Å; L186-G188 PolarHBondContact O-N 3.44Å; L186-S189 WeakPolarHBondContact O-CA 3.48Å; L186-S189 WeakPolarHBondContact O-CB 3.31Å; L186-S189 PolarHBondContact O-N 2.95Å; L186-L190 HydrophobicContact CD1-CD1 4.31Å; L186-L190 HydrophobicContact CD1-CG 4.38Å; L186-L190 HydrophobicContact CG-CD1 4.15Å; L186-L190 WeakPolarHBondContact O-CG 3.27Å; L186-L190 PolarHBondContact O-N 2.99Å; L186-V276 HydrophobicContact CD2-CB 4.16Å; L186-V276 HydrophobicContact CD2-CG1 3.57Å; L186-V276 HydrophobicContact CD2-CG2 3.49Å; L186-V276 VanDerWaalsContact CD2-CG2 3.49Å
187E89.7Confident89.8Confident126 Ų12674.2 Ų74.259%0.58939%0.387SS*.Hα-helixtrans-53.6-50.9174.7-75.3175174.400110.5L183 S189 L190 D191L183-E187 WeakPolarHBondContact O-CG 3.42Å; L183-E187 PolarHBondContact O-N 3.08Å; E187-S189 PolarHBondContact O-N 2.97Å; E187-L190 PolarHBondContact O-N 3.36Å; E187-L190 VanDerWaalsContact O-N 3.11Å; E187-D191 PolarHBondContact O-N 2.97Å
188G91.4Very high89.7Confident27 Ų2781.1 Ų81.128%0.27841%0.409SS..Hα-helixtrans-63.7-24.7176.900000114.3A184 L186 R192A184-G188 PolarHBondContact O-N 2.88Å; L186-G188 VanDerWaalsContact C-N 3.32Å; L186-G188 PolarHBondContact O-N 3.44Å; G188-R192 VanDerWaalsContact O-CG 3.28Å; G188-R192 WeakPolarHBondContact O-CG 3.32Å; G188-R192 PolarHBondContact O-N 3.13Å; G188-R192 PolarHBondContact O-NE 3.31Å
189S89Confident89.9Confident59 Ų5978.8 Ų78.841%0.41341%0.409SS..Hα-helixtrans-74-42.4172.3-1670000112A185 L186 E187 R192 E193A185-S189 PolarHBondContact O-N 3.48Å; L186-S189 WeakPolarHBondContact O-CA 3.48Å; L186-S189 WeakPolarHBondContact O-CB 3.31Å; L186-S189 PolarHBondContact O-N 2.95Å; E187-S189 PolarHBondContact O-N 2.97Å; S189-R192 PolarHBondContact O-N 2.85Å; S189-E193 PolarHBondContact O-N 2.99Å; S189-E193 VanDerWaalsContact O-N 3.12Å
190L88.8Confident89.9Confident53 Ų5381.5 Ų81.528%0.27742%0.421SS..Hα-helixtrans-68-39.4179.2-65.5167.9000111.4L186 E187 E193 A194 P266 F272L186-L190 HydrophobicContact CD1-CD1 4.31Å; L186-L190 HydrophobicContact CD1-CG 4.38Å; L186-L190 HydrophobicContact CG-CD1 4.15Å; L186-L190 WeakPolarHBondContact O-CG 3.27Å; L186-L190 PolarHBondContact O-N 2.99Å; E187-L190 PolarHBondContact O-N 3.36Å; E187-L190 VanDerWaalsContact O-N 3.11Å; L190-E193 PolarHBondContact O-N 3.14Å; L190-A194 PolarHBondContact O-N 3.35Å; L190-P266 HydrophobicContact CD2-CG 4.4Å; L190-F272 HydrophobicContact CD1-CE2 4.35Å; L190-F272 HydrophobicContact CD1-CZ 3.76Å; L190-F272 HydrophobicContact CD2-CE2 4.28Å; L190-F272 HydrophobicContact CD2-CZ 4.49Å
191D89.6Confident89.9Confident109 Ų10974.5 Ų74.558%0.58340%0.397SS*.Hα-helixtrans-61.7-45.5174.9-77.2-19.5000111.4E187 E193 A194 E195E187-D191 PolarHBondContact O-N 2.97Å; D191-E193 VanDerWaalsContact C-N 3.26Å; D191-E193 PolarHBondContact O-N 2.87Å; D191-A194 PolarHBondContact O-N 2.8Å; D191-E195 WeakPolarHBondContact O-CB 3.28Å; D191-E195 VanDerWaalsContact O-CG 3.29Å; D191-E195 WeakPolarHBondContact O-CG 3.21Å; D191-E195 PolarHBondContact O-N 2.83Å
192R90.9Very high89.8Confident178 Ų17870.2 Ų70.267%0.67238%0.375SS*.Hα-helixtrans-59.3-39.4176.1-79.2-177.4-70.3-177.82.2112.2G188 S189 E195 R196G188-R192 VanDerWaalsContact O-CG 3.28Å; G188-R192 WeakPolarHBondContact O-CG 3.32Å; G188-R192 PolarHBondContact O-N 3.13Å; G188-R192 PolarHBondContact O-NE 3.31Å; S189-R192 PolarHBondContact O-N 2.85Å; R192-E195 PolarHBondContact O-N 3.08Å; R192-R196 WeakPolarHBondContact O-CB 3.25Å; R192-R196 PolarHBondContact O-N 3.08Å
193E88.3Confident89.8Confident65 Ų6571.6 Ų71.630%0.30439%0.386SS..Hα-helixtrans-67.6-43.5177.3-179.259.6-169.500111.8S189 L190 D191 E195 R196 V197 P266S189-E193 PolarHBondContact O-N 2.99Å; S189-E193 VanDerWaalsContact O-N 3.12Å; L190-E193 PolarHBondContact O-N 3.14Å; D191-E193 VanDerWaalsContact C-N 3.26Å; D191-E193 PolarHBondContact O-N 2.87Å; E193-E195 VanDerWaalsContact C-N 3.33Å; E193-E195 PolarHBondContact O-N 3.12Å; E193-R196 VanDerWaalsContact CD-NH2 3.34Å; E193-R196 WeakPolarHBondContact O-CB 3.36Å; E193-R196 PolarHBondContact O-N 3.39Å; E193-R196 IonicContact OE1-CZ 3.89Å; E193-R196 IonicContact OE1-NE 3.45Å; E193-R196 IonicContact OE1-NH2 3.58Å; E193-R196 PolarHBondContact OE1-NH2 3.02Å; E193-R196 IonicContact OE2-CZ 2.97Å; E193-R196 IonicContact OE2-NE 2.56Å; E193-R196 PolarHBondContact OE2-NE 2.76Å; E193-R196 IonicContact OE2-NH2 2.93Å; E193-R196 PolarHBondContact OE2-NH2 2.98Å; E193-V197 WeakPolarHBondContact O-CG2 3.41Å; E193-V197 PolarHBondContact O-N 2.87Å; E193-P266 HydrophobicContact CG-CG 4.32Å
194A88.3Confident89.7Confident39 Ų3969.7 Ų69.732%0.32238%0.38SS..Hα-helixtrans-61.5-41.6175.100000112.2L190 D191 V197 R198 L265L190-A194 PolarHBondContact O-N 3.35Å; D191-A194 PolarHBondContact O-N 2.8Å; A194-V197 PolarHBondContact O-N 2.82Å; A194-R198 WeakPolarHBondContact O-CB 3.25Å; A194-R198 PolarHBondContact O-N 3.08Å; A194-L265 HydrophobicContact CB-CD2 4.21Å
195E91.6Very high89.6Confident91 Ų9171 Ų7143%0.42538%0.379SS..Hα-helixtrans-62.6-41.7174.9-75.6-62.2146.200112.4D191 R192 E193 R198 G199D191-E195 WeakPolarHBondContact O-CB 3.28Å; D191-E195 VanDerWaalsContact O-CG 3.29Å; D191-E195 WeakPolarHBondContact O-CG 3.21Å; D191-E195 PolarHBondContact O-N 2.83Å; R192-E195 PolarHBondContact O-N 3.08Å; E193-E195 VanDerWaalsContact C-N 3.33Å; E193-E195 PolarHBondContact O-N 3.12Å; E195-R198 PolarHBondContact O-N 2.81Å; E195-R198 IonicContact OE1-CZ 2.65Å; E195-R198 IonicContact OE1-NE 2.75Å; E195-R198 IonicContact OE1-NH1 2.65Å; E195-R198 PolarHBondContact OE1-NH1 2.97Å; E195-R198 IonicContact OE1-NH2 3.55Å; E195-R198 PolarHBondContact OE1-NH2 3.06Å; E195-R198 IonicContact OE2-CZ 3.31Å; E195-R198 IonicContact OE2-NE 3.55Å; E195-R198 IonicContact OE2-NH1 2.66Å; E195-R198 IonicContact OE2-NH2 3.35Å; E195-R198 PolarHBondContact OE2-NH2 3Å; E195-G199 PolarHBondContact O-N 3.16Å
196R90.2Very high89.7Confident110 Ų11075.7 Ų75.742%0.41538%0.383SS..Hα-helixtrans-61.4-51.3175.3-172.4-174.770.278.2-0.7111.1R192 E193 R198 G199 E200R192-R196 WeakPolarHBondContact O-CB 3.25Å; R192-R196 PolarHBondContact O-N 3.08Å; E193-R196 VanDerWaalsContact CD-NH2 3.34Å; E193-R196 WeakPolarHBondContact O-CB 3.36Å; E193-R196 PolarHBondContact O-N 3.39Å; E193-R196 IonicContact OE1-CZ 3.89Å; E193-R196 IonicContact OE1-NE 3.45Å; E193-R196 IonicContact OE1-NH2 3.58Å; E193-R196 PolarHBondContact OE1-NH2 3.02Å; E193-R196 IonicContact OE2-CZ 2.97Å; E193-R196 IonicContact OE2-NE 2.56Å; E193-R196 PolarHBondContact OE2-NE 2.76Å; E193-R196 IonicContact OE2-NH2 2.93Å; E193-R196 PolarHBondContact OE2-NH2 2.98Å; R196-R198 VanDerWaalsContact C-N 3.31Å; R196-R198 PolarHBondContact O-N 2.99Å; R196-G199 PolarHBondContact O-N 2.97Å; R196-G199 VanDerWaalsContact O-N 3.12Å; R196-E200 IonicContact CZ-OE1 3.94Å; R196-E200 IonicContact CZ-OE2 3.51Å; R196-E200 IonicContact NH1-OE1 3.16Å; R196-E200 PolarHBondContact NH1-OE1 3.35Å; R196-E200 IonicContact NH1-OE2 3.61Å; R196-E200 PolarHBondContact NH1-OE2 3.2Å; R196-E200 WeakPolarHBondContact O-CG 3.44Å; R196-E200 PolarHBondContact O-N 3.37Å
197V89.9Confident89.6Confident16 Ų1682 Ų8210%0.09740%0.404CS..Hα-helixtrans-58.5-43.5177.71710000110.9E193 A194 G199 E200 A201 I263 L265E193-V197 WeakPolarHBondContact O-CG2 3.41Å; E193-V197 PolarHBondContact O-N 2.87Å; A194-V197 PolarHBondContact O-N 2.82Å; V197-G199 PolarHBondContact O-N 3.33Å; V197-E200 PolarHBondContact O-N 3.29Å; V197-A201 VanDerWaalsContact O-CB 3.31Å; V197-A201 WeakPolarHBondContact O-CB 3.4Å; V197-A201 PolarHBondContact O-N 2.94Å; V197-I263 HydrophobicContact CG1-CG2 3.49Å; V197-I263 VanDerWaalsContact CG1-CG2 3.49Å; V197-L265 HydrophobicContact CB-CD2 4.12Å; V197-L265 HydrophobicContact CG1-CD2 4.01Å; V197-L265 HydrophobicContact CG2-CD2 4.37Å
198R89.3Confident89.6Confident159 Ų15979.1 Ų79.160%0.639%0.391SS*.Hα-helixtrans-61.3-43.6175.5-174177.676.8-16111.4112.1A194 E195 R196 G202A194-R198 WeakPolarHBondContact O-CB 3.25Å; A194-R198 PolarHBondContact O-N 3.08Å; E195-R198 PolarHBondContact O-N 2.81Å; E195-R198 IonicContact OE1-CZ 2.65Å; E195-R198 IonicContact OE1-NE 2.75Å; E195-R198 IonicContact OE1-NH1 2.65Å; E195-R198 PolarHBondContact OE1-NH1 2.97Å; E195-R198 IonicContact OE1-NH2 3.55Å; E195-R198 PolarHBondContact OE1-NH2 3.06Å; E195-R198 IonicContact OE2-CZ 3.31Å; E195-R198 IonicContact OE2-NE 3.55Å; E195-R198 IonicContact OE2-NH1 2.66Å; E195-R198 IonicContact OE2-NH2 3.35Å; E195-R198 PolarHBondContact OE2-NH2 3Å; R196-R198 VanDerWaalsContact C-N 3.31Å; R196-R198 PolarHBondContact O-N 2.99Å; R198-G202 PolarHBondContact O-N 3.26Å
199G89.7Confident89.5Confident37 Ų3782.7 Ų82.738%0.38140%0.403SS..Hα-helixtrans-60.8-50.3177.900000112.3E195 R196 V197 G202 V203E195-G199 PolarHBondContact O-N 3.16Å; R196-G199 PolarHBondContact O-N 2.97Å; R196-G199 VanDerWaalsContact O-N 3.12Å; V197-G199 PolarHBondContact O-N 3.33Å; G199-G202 PolarHBondContact O-N 3.09Å; G199-V203 WeakPolarHBondContact O-CG2 3.44Å; G199-V203 PolarHBondContact O-N 3.1Å
200E89.8Confident89.6Confident106 Ų10681.8 Ų81.850%0.49540%0.403SS..Hα-helixtrans-62.1-48.8179.5-73.1172.3-173.300111.9R196 V197 G202 V203 A204R196-E200 IonicContact CZ-OE1 3.94Å; R196-E200 IonicContact CZ-OE2 3.51Å; R196-E200 IonicContact NH1-OE1 3.16Å; R196-E200 PolarHBondContact NH1-OE1 3.35Å; R196-E200 IonicContact NH1-OE2 3.61Å; R196-E200 PolarHBondContact NH1-OE2 3.2Å; R196-E200 WeakPolarHBondContact O-CG 3.44Å; R196-E200 PolarHBondContact O-N 3.37Å; V197-E200 PolarHBondContact O-N 3.29Å; E200-G202 VanDerWaalsContact C-N 3.3Å; E200-G202 PolarHBondContact O-N 3.4Å; E200-V203 PolarHBondContact O-N 3.02Å; E200-A204 PolarHBondContact O-N 2.83Å
201A89Confident89.7Confident11 Ų1181.9 Ų81.99%0.09141%0.408CS..Hα-helixtrans-59.9-41.9175.700000111.6V197 V203 A204 L205 L261 I263V197-A201 VanDerWaalsContact O-CB 3.31Å; V197-A201 WeakPolarHBondContact O-CB 3.4Å; V197-A201 PolarHBondContact O-N 2.94Å; A201-V203 PolarHBondContact O-N 3.38Å; A201-A204 PolarHBondContact O-N 2.82Å; A201-L205 WeakPolarHBondContact O-CB 3.48Å; A201-L205 WeakPolarHBondContact O-CG 3.29Å; A201-L205 PolarHBondContact O-N 2.86Å; A201-L261 HydrophobicContact CB-CD2 3.87Å; A201-I263 HydrophobicContact CB-CD1 3.99Å; A201-I263 HydrophobicContact CB-CG1 4.22Å
202G89.8Confident89.8Confident16 Ų1680.4 Ų80.417%0.16540%0.4CS..Hα-helixtrans-62.8-40.7177.200000113.2R198 G199 E200 R206R198-G202 PolarHBondContact O-N 3.26Å; G199-G202 PolarHBondContact O-N 3.09Å; E200-G202 VanDerWaalsContact C-N 3.3Å; E200-G202 PolarHBondContact O-N 3.4Å; G202-R206 WeakPolarHBondContact O-CB 3.19Å; G202-R206 WeakPolarHBondContact O-CG 3.38Å; G202-R206 VanDerWaalsContact O-CZ 3.26Å; G202-R206 PolarHBondContact O-N 2.81Å; G202-R206 VanDerWaalsContact O-N 3.07Å; G202-R206 PolarHBondContact O-NE 3.03Å; G202-R206 PolarHBondContact O-NH1 3.15Å
203V90.3Very high89.9Confident70 Ų7076.5 Ų76.542%0.42439%0.392SS..Hα-helixtrans-65.8-44.8175.8170.60000111G199 E200 A201 R206 R207G199-V203 WeakPolarHBondContact O-CG2 3.44Å; G199-V203 PolarHBondContact O-N 3.1Å; E200-V203 PolarHBondContact O-N 3.02Å; A201-V203 PolarHBondContact O-N 3.38Å; V203-R206 PolarHBondContact O-N 2.83Å; V203-R207 PolarHBondContact O-N 2.79Å; V203-R207 VanDerWaalsContact O-N 3.07Å
204A88.6Confident90.1Very high30 Ų3076.3 Ų76.325%0.24840%0.398CS..Hα-helixtrans-61.8-49.4179.100000111.6E200 A201 R206 R207 E208 L261E200-A204 PolarHBondContact O-N 2.83Å; A201-A204 PolarHBondContact O-N 2.82Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 3.04Å; A204-R207 WeakPolarHBondContact O-CB 3.38Å; A204-R207 PolarHBondContact O-N 3.44Å; A204-R207 VanDerWaalsContact O-N 3.12Å; A204-E208 PolarHBondContact O-N 2.81Å; A204-L261 HydrophobicContact CB-CD1 3.87Å; A204-L261 HydrophobicContact CB-CD2 4Å; A204-L261 HydrophobicContact CB-CG 4.48Å
205L88.4Confident90.4Very high88 Ų8875.7 Ų75.746%0.46139%0.388SS..Hα-helixtrans-61.7-38.7178.2-71172.9000112.8A201 R207 E208 L209 L261A201-L205 WeakPolarHBondContact O-CB 3.48Å; A201-L205 WeakPolarHBondContact O-CG 3.29Å; A201-L205 PolarHBondContact O-N 2.86Å; L205-R207 VanDerWaalsContact C-N 3.33Å; L205-R207 PolarHBondContact O-N 3.29Å; L205-E208 PolarHBondContact O-N 3.25Å; L205-L209 WeakPolarHBondContact O-CB 3.46Å; L205-L209 WeakPolarHBondContact O-CG 3.4Å; L205-L209 PolarHBondContact O-N 3.05Å; L205-L261 HydrophobicContact CD2-CD1 4.27Å
206R90.9Very high90.5Very high159 Ų15975 Ų7560%0.639%0.387SS*.Hα-helixtrans-64-38175.1-79.8-172.9-68.4-88.21.6112.4G202 V203 A204 G210G202-R206 WeakPolarHBondContact O-CB 3.19Å; G202-R206 WeakPolarHBondContact O-CG 3.38Å; G202-R206 VanDerWaalsContact O-CZ 3.26Å; G202-R206 PolarHBondContact O-N 2.81Å; G202-R206 VanDerWaalsContact O-N 3.07Å; G202-R206 PolarHBondContact O-NE 3.03Å; G202-R206 PolarHBondContact O-NH1 3.15Å; V203-R206 PolarHBondContact O-N 2.83Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 3.04Å; R206-G210 PolarHBondContact O-N 3.07Å
207R88.9Confident90.7Very high173 Ų17376.3 Ų76.365%0.65340%0.397SS*.Hα-helixtrans-64.7-44.8176-178.2179-81.6118.1-6.2111.1V203 A204 L205 G210 S211V203-R207 PolarHBondContact O-N 2.79Å; V203-R207 VanDerWaalsContact O-N 3.07Å; A204-R207 WeakPolarHBondContact O-CB 3.38Å; A204-R207 PolarHBondContact O-N 3.44Å; A204-R207 VanDerWaalsContact O-N 3.12Å; L205-R207 VanDerWaalsContact C-N 3.33Å; L205-R207 PolarHBondContact O-N 3.29Å; R207-G210 PolarHBondContact O-N 2.86Å; R207-S211 PolarHBondContact O-N 3.36Å
208E88.5Confident90.9Very high66 Ų6679.5 Ų79.531%0.30841%0.411SS..Hα-helixtrans-63-46176.8-67-54.8140.100112.2A204 L205 G210 S211 L212 A259A204-E208 PolarHBondContact O-N 2.81Å; L205-E208 PolarHBondContact O-N 3.25Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 2.94Å; E208-S211 WeakPolarHBondContact O-CB 3.29Å; E208-S211 PolarHBondContact O-N 3.31Å; E208-L212 PolarHBondContact O-N 3.44Å; E208-A259 HydrophobicContact CG-CB 3.8Å
209L90.3Very high91.2Very high102 Ų10274.3 Ų74.353%0.53440%0.395SS..Hα-helixtrans-58.6-41.1174.1-77.5170.9000111.9L205 N213L205-L209 WeakPolarHBondContact O-CB 3.46Å; L205-L209 WeakPolarHBondContact O-CG 3.4Å; L205-L209 PolarHBondContact O-N 3.05Å; L209-N213 VanDerWaalsContact O-CB 3.28Å; L209-N213 WeakPolarHBondContact O-CB 3.36Å; L209-N213 VanDerWaalsContact O-CG 3.25Å; L209-N213 PolarHBondContact O-N 3.45Å; L209-N213 PolarHBondContact O-ND2 2.75Å; L209-N213 VanDerWaalsContact O-ND2 3.14Å
210G91.1Very high91.5Very high40 Ų4080.2 Ų80.241%0.41241%0.406SS..Hα-helixtrans-61.7-45.2175.900000112.7R206 R207 E208 N213 S214R206-G210 PolarHBondContact O-N 3.07Å; R207-G210 PolarHBondContact O-N 2.86Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 2.94Å; G210-N213 PolarHBondContact O-N 3.13Å; G210-S214 PolarHBondContact O-N 2.79Å
211S90.4Very high91.8Very high55 Ų5579.9 Ų79.939%0.38540%0.404SS..Hα-helixtrans-59.6-50.4175.9-178.60000111.7R207 E208 N213 S214 Y215R207-S211 PolarHBondContact O-N 3.36Å; E208-S211 WeakPolarHBondContact O-CB 3.29Å; E208-S211 PolarHBondContact O-N 3.31Å; S211-N213 PolarHBondContact O-N 2.82Å; S211-S214 PolarHBondContact O-N 3.4Å; S211-Y215 PolarHBondContact O-N 3.21Å
212L91.1Very high92Very high77 Ų7779.7 Ų79.740%0.40340%0.402SS..Hα-helixtrans-64.7-40.2179.5-72.5172000112.6E208 Y215 L216 P256E208-L212 PolarHBondContact O-N 3.44Å; L212-Y215 PolarHBondContact O-N 2.65Å; L212-L216 WeakPolarHBondContact O-CB 3.44Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.84Å; L212-P256 HydrophobicContact CD2-CB 4.05Å; L212-P256 HydrophobicContact CD2-CG 4.1Å
213N93.3Very high92.3Very high96 Ų9684.4 Ų84.451%0.51342%0.419SS..Hα-helixtrans-63.8-41.6176-79.2-32.7000111.8L209 G210 S211 Y215 L216 E217L209-N213 VanDerWaalsContact O-CB 3.28Å; L209-N213 WeakPolarHBondContact O-CB 3.36Å; L209-N213 VanDerWaalsContact O-CG 3.25Å; L209-N213 PolarHBondContact O-N 3.45Å; L209-N213 PolarHBondContact O-ND2 2.75Å; L209-N213 VanDerWaalsContact O-ND2 3.14Å; G210-N213 PolarHBondContact O-N 3.13Å; S211-N213 PolarHBondContact O-N 2.82Å; N213-Y215 VanDerWaalsContact C-N 3.34Å; N213-L216 PolarHBondContact O-N 3.46Å; N213-E217 WeakPolarHBondContact O-CB 3.48Å; N213-E217 PolarHBondContact O-N 3.17Å
214S92.8Very high92.5Very high61 Ų6186.4 Ų86.443%0.42742%0.422SS..Hα-helixtrans-62.6-42.5175.3-1740000111.6G210 S211 E217 Q218G210-S214 PolarHBondContact O-N 2.79Å; S211-S214 PolarHBondContact O-N 3.4Å; S214-E217 PolarHBondContact O-N 3.24Å; S214-Q218 WeakPolarHBondContact O-CG 3.38Å; S214-Q218 PolarHBondContact O-N 2.96Å
215Y93.6Very high92.7Very high27 Ų2786.5 Ų86.511%0.10642%0.42CS..Hα-helixtrans-63.9-43.1175.6-176.9-114.6000112.4S211 L212 N213 E217 Q218 L219 I251 P256S211-Y215 PolarHBondContact O-N 3.21Å; L212-Y215 PolarHBondContact O-N 2.65Å; N213-Y215 VanDerWaalsContact C-N 3.34Å; Y215-E217 VanDerWaalsContact C-N 3.28Å; Y215-E217 PolarHBondContact O-N 2.83Å; Y215-Q218 WeakPolarHBondContact O-CB 3.43Å; Y215-Q218 PolarHBondContact O-N 2.89Å; Y215-L219 HydrophobicContact CD1-CD1 4.01Å; Y215-L219 HydrophobicContact CE1-CD1 3.62Å; Y215-L219 HydrophobicContact CE1-CG 4.22Å; Y215-L219 WeakPolarHBondContact O-CG 3.33Å; Y215-L219 PolarHBondContact O-N 2.97Å; Y215-I251 HydrophobicContact CD2-CG2 4.48Å; Y215-I251 HydrophobicContact CE2-CG2 3.76Å; Y215-I251 VanDerWaalsContact CE2-O 3.3Å; Y215-I251 WeakPolarHBondContact CE2-O 3.31Å; Y215-I251 PolarHBondContact OH-O 2.54Å; Y215-P256 HydrophobicContact CD1-CG 4.34Å; Y215-P256 HydrophobicContact CG-CG 4.14Å
216L94.2Very high93Very high76 Ų7685.8 Ų85.840%0.39842%0.416SS..Hα-helixtrans-59.6-38.7173.7-79.3171000112.2L212 N213 L219 R220L212-L216 WeakPolarHBondContact O-CB 3.44Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.84Å; N213-L216 PolarHBondContact O-N 3.46Å; L216-L219 PolarHBondContact O-N 2.6Å; L216-R220 WeakPolarHBondContact O-CG 3.44Å; L216-R220 PolarHBondContact O-N 3.08Å
217E95.3Very high93.1Very high137 Ų13783.9 Ų83.964%0.6441%0.414SS*.Hα-helixtrans-67.8-38.7176.8-168.7157.6-152.500112.1N213 S214 Y215 L219 R220 Q221N213-E217 WeakPolarHBondContact O-CB 3.48Å; N213-E217 PolarHBondContact O-N 3.17Å; S214-E217 PolarHBondContact O-N 3.24Å; Y215-E217 VanDerWaalsContact C-N 3.28Å; Y215-E217 PolarHBondContact O-N 2.83Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.95Å; E217-R220 PolarHBondContact O-N 2.81Å; E217-Q221 WeakPolarHBondContact O-CB 3.48Å; E217-Q221 PolarHBondContact O-N 2.83Å
218Q94.3Very high93.3Very high84 Ų8481.2 Ų81.239%0.39341%0.409SS..Hα-helixtrans-61-42.3171.4-68.6176.34.500112.2S214 Y215 Q221 M222 I251S214-Q218 WeakPolarHBondContact O-CG 3.38Å; S214-Q218 PolarHBondContact O-N 2.96Å; Y215-Q218 WeakPolarHBondContact O-CB 3.43Å; Y215-Q218 PolarHBondContact O-N 2.89Å; Q218-Q221 PolarHBondContact O-N 2.77Å; Q218-M222 WeakPolarHBondContact O-CB 3.25Å; Q218-M222 PolarHBondContact O-N 3.35Å; Q218-I251 HydrophobicContact CB-CG2 4.49Å
219L94.9Very high93.4Very high50 Ų5078.7 Ų78.726%0.26240%0.398SS..Hα-helixtrans-63-48176.7-70.6174.5000111.7Y215 L216 E217 Q221 M222 E223 I251 L252Y215-L219 HydrophobicContact CD1-CD1 4.01Å; Y215-L219 HydrophobicContact CE1-CD1 3.62Å; Y215-L219 HydrophobicContact CE1-CG 4.22Å; Y215-L219 WeakPolarHBondContact O-CG 3.33Å; Y215-L219 PolarHBondContact O-N 2.97Å; L216-L219 PolarHBondContact O-N 2.6Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.95Å; L219-Q221 VanDerWaalsContact C-N 3.3Å; L219-Q221 PolarHBondContact O-N 2.82Å; L219-M222 WeakPolarHBondContact O-CB 3.31Å; L219-M222 PolarHBondContact O-N 2.87Å; L219-M222 VanDerWaalsContact O-N 3.16Å; L219-E223 PolarHBondContact O-N 3.35Å; L219-I251 HydrophobicContact CD2-CG2 3.71Å; L219-I251 HydrophobicContact CG-CG2 4.38Å; L219-L252 HydrophobicContact CD2-CD2 4.02Å
220R96.1Very high93.5Very high160 Ų16077.1 Ų77.160%0.60440%0.399SS*.Hα-helixtrans-61.5-37.5176.8-73.2172.3177.4163.30.8112.5L216 E217 E223 K224L216-R220 WeakPolarHBondContact O-CG 3.44Å; L216-R220 PolarHBondContact O-N 3.08Å; E217-R220 PolarHBondContact O-N 2.81Å; R220-E223 WeakPolarHBondContact O-CB 3.35Å; R220-E223 PolarHBondContact O-N 2.95Å; R220-K224 PolarHBondContact O-N 2.83Å
221Q95.3Very high93.5Very high100 Ų10082.2 Ų82.247%0.46742%0.417SS..Hα-helixtrans-69.2-37.5176.3-174.15838.200111.5E217 Q218 L219 K224 V225E217-Q221 WeakPolarHBondContact O-CB 3.48Å; E217-Q221 PolarHBondContact O-N 2.83Å; Q218-Q221 PolarHBondContact O-N 2.77Å; L219-Q221 VanDerWaalsContact C-N 3.3Å; L219-Q221 PolarHBondContact O-N 2.82Å; Q221-K224 PolarHBondContact O-N 2.86Å; Q221-V225 WeakPolarHBondContact O-CG2 3.24Å; Q221-V225 PolarHBondContact O-N 2.83Å; Q221-V225 VanDerWaalsContact O-N 3.17Å
222M94.3Very high93.6Very high7 Ų783.6 Ų83.63%0.03442%0.417CS..Hα-helixtrans-66.3-38.9175-175.954.968.200111.8Q218 L219 K224 V225 L226 V244 R247 L248 I251Q218-M222 WeakPolarHBondContact O-CB 3.25Å; Q218-M222 PolarHBondContact O-N 3.35Å; L219-M222 WeakPolarHBondContact O-CB 3.31Å; L219-M222 PolarHBondContact O-N 2.87Å; L219-M222 VanDerWaalsContact O-N 3.16Å; M222-K224 PolarHBondContact O-N 2.8Å; M222-V225 PolarHBondContact O-N 3.09Å; M222-V225 VanDerWaalsContact O-N 3.15Å; M222-V225 HydrophobicContact SD-CB 4.4Å; M222-L226 HydrophobicContact CG-CD1 4.35Å; M222-L226 WeakPolarHBondContact O-CG 3.26Å; M222-L226 PolarHBondContact O-N 2.86Å; M222-V244 HydrophobicContact SD-CG1 4.23Å; M222-R247 HydrophobicContact CE-CB 3.87Å; M222-R247 HydrophobicContact CE-CG 3.5Å; M222-L248 HydrophobicContact CG-CB 4.27Å; M222-L248 HydrophobicContact CG-CD1 3.71Å; M222-L248 HydrophobicContact SD-CB 4.36Å; M222-I251 HydrophobicContact CB-CD1 4.09Å; M222-I251 HydrophobicContact CE-CD1 3.45Å; M222-I251 VanDerWaalsContact CE-CD1 3.45Å; M222-I251 HydrophobicContact CG-CD1 4.32Å
223E95.1Very high93.6Very high114 Ų11483.8 Ų83.853%0.53342%0.422SS..Hα-helixtrans-54.4-49.3173.4-175.1175.9-153.700111.5L219 R220 V225 L226 E227L219-E223 PolarHBondContact O-N 3.35Å; R220-E223 WeakPolarHBondContact O-CB 3.35Å; R220-E223 PolarHBondContact O-N 2.95Å; E223-V225 VanDerWaalsContact C-N 3.35Å; E223-V225 PolarHBondContact O-N 3.3Å; E223-L226 WeakPolarHBondContact O-CB 3.39Å; E223-L226 PolarHBondContact O-N 2.84Å; E223-L226 VanDerWaalsContact O-N 3.13Å; E223-E227 PolarHBondContact O-N 3.16Å
224K94.9Very high93.5Very high113 Ų11386.6 Ų86.649%0.49143%0.432SS..Hα-helixtrans-59.6-41.7174.7-67.2178.1-177.3177.20113.3R220 Q221 M222 L226 E227 E228R220-K224 PolarHBondContact O-N 2.83Å; Q221-K224 PolarHBondContact O-N 2.86Å; M222-K224 PolarHBondContact O-N 2.8Å; K224-L226 VanDerWaalsContact C-N 3.28Å; K224-L226 PolarHBondContact O-N 2.78Å; K224-E227 PolarHBondContact O-N 3.25Å; K224-E228 WeakPolarHBondContact O-CG 3.38Å; K224-E228 PolarHBondContact O-N 3.34Å
225V94.1Very high93.4Very high31 Ų3188.7 Ų88.719%0.18844%0.443CS..Hα-helixtrans-64-36.6177.6171.60000111Q221 M222 E223 V229 V244Q221-V225 WeakPolarHBondContact O-CG2 3.24Å; Q221-V225 PolarHBondContact O-N 2.83Å; Q221-V225 VanDerWaalsContact O-N 3.17Å; M222-V225 PolarHBondContact O-N 3.09Å; M222-V225 VanDerWaalsContact O-N 3.15Å; M222-V225 HydrophobicContact SD-CB 4.4Å; E223-V225 VanDerWaalsContact C-N 3.35Å; E223-V225 PolarHBondContact O-N 3.3Å; V225-V229 HydrophobicContact CG1-CG2 4.36Å; V225-V229 WeakPolarHBondContact O-CB 3.31Å; V225-V229 WeakPolarHBondContact O-CG2 3.42Å; V225-V229 PolarHBondContact O-N 3.35Å; V225-V244 HydrophobicContact CG1-CG1 4.23Å; V225-V244 HydrophobicContact CG1-CG2 4.22Å
226L93.2Very high93.1Very high73 Ų7390.5 Ų90.538%0.38245%0.452SS..Hα-helixtrans-65-43.9175.1-70.1166.7000111.2M222 E223 K224 V229 A230 V244 L248M222-L226 HydrophobicContact CG-CD1 4.35Å; M222-L226 WeakPolarHBondContact O-CG 3.26Å; M222-L226 PolarHBondContact O-N 2.86Å; E223-L226 WeakPolarHBondContact O-CB 3.39Å; E223-L226 PolarHBondContact O-N 2.84Å; E223-L226 VanDerWaalsContact O-N 3.13Å; K224-L226 VanDerWaalsContact C-N 3.28Å; K224-L226 PolarHBondContact O-N 2.78Å; L226-V229 PolarHBondContact O-N 2.71Å; L226-A230 WeakPolarHBondContact O-CB 3.36Å; L226-A230 PolarHBondContact O-N 2.8Å; L226-V244 HydrophobicContact CD2-CG1 3.57Å; L226-V244 HydrophobicContact CG-CG1 4.36Å; L226-L248 HydrophobicContact CD1-CD2 4.22Å
227E93.6Very high93.1Very high119 Ų11990.1 Ų90.156%0.55645%0.447SS*.Hα-helixtrans-59.9-49173.8-67.6177.1161.800111.5E223 K224 V229 A230 D231E223-E227 PolarHBondContact O-N 3.16Å; K224-E227 PolarHBondContact O-N 3.25Å; E227-V229 VanDerWaalsContact C-N 3.28Å; E227-V229 PolarHBondContact O-N 3.33Å; E227-A230 WeakPolarHBondContact O-CB 3.24Å; E227-A230 PolarHBondContact O-N 2.9Å; E227-A230 VanDerWaalsContact O-N 3.17Å; E227-D231 PolarHBondContact O-N 2.95Å
228E92.3Very high92.8Very high117 Ų11788.6 Ų88.655%0.54744%0.443SS..Hα-helixtrans-60.3-35.9179.5-76.4177.2-167.400113.3K224 K232K224-E228 WeakPolarHBondContact O-CG 3.38Å; K224-E228 PolarHBondContact O-N 3.34Å; E228-K232 WeakPolarHBondContact O-CE 3.48Å; E228-K232 WeakPolarHBondContact O-CG 3.4Å
229V92.3Very high92.5Very high14 Ų1492.2 Ų92.29%0.08546%0.462CS..Hα-helixtrans-76.6-34.6179.21720000110.8V225 L226 E227 D231 K232 F237 K240 V244V225-V229 HydrophobicContact CG1-CG2 4.36Å; V225-V229 WeakPolarHBondContact O-CB 3.31Å; V225-V229 WeakPolarHBondContact O-CG2 3.42Å; V225-V229 PolarHBondContact O-N 3.35Å; L226-V229 PolarHBondContact O-N 2.71Å; E227-V229 VanDerWaalsContact C-N 3.28Å; E227-V229 PolarHBondContact O-N 3.33Å; V229-D231 PolarHBondContact O-N 3.37Å; V229-K232 WeakPolarHBondContact O-CB 3.4Å; V229-K232 PolarHBondContact O-N 2.96Å; V229-K232 VanDerWaalsContact O-N 3.16Å; V229-F237 HydrophobicContact CG1-CD2 3.93Å; V229-F237 HydrophobicContact CG1-CE2 4.28Å; V229-F237 WeakPolarHBondContact O-CD2 3.42Å; V229-K240 HydrophobicContact CG1-CB 4.48Å; V229-V244 HydrophobicContact CG2-CG2 3.97Å
230A91.4Very high92.3Very high68 Ų6893.9 Ų93.956%0.56247%0.467SS*.Hα-helixtrans-61-33.5176.900000112.6L226 E227 K232L226-A230 WeakPolarHBondContact O-CB 3.36Å; L226-A230 PolarHBondContact O-N 2.8Å; E227-A230 WeakPolarHBondContact O-CB 3.24Å; E227-A230 PolarHBondContact O-N 2.9Å; E227-A230 VanDerWaalsContact O-N 3.17Å; A230-K232 VanDerWaalsContact C-N 3.3Å; A230-K232 PolarHBondContact O-N 3.08Å
231D92Very high91.9Very high148 Ų14891.9 Ų91.979%0.79146%0.461SS*.THydrogen-bonded Turntrans-81.61.6178.3-76.1-19.2000114.4E227 V229E227-D231 PolarHBondContact O-N 2.95Å; V229-D231 PolarHBondContact O-N 3.37Å
232K91.8Very high91.6Very high84 Ų8491.6 Ų91.637%0.36547%0.468SS..SBendtrans-83150.3-178.1-63-58.8178.7179.90113.3E228 V229 A230 E236 F237E228-K232 WeakPolarHBondContact O-CE 3.48Å; E228-K232 WeakPolarHBondContact O-CG 3.4Å; V229-K232 WeakPolarHBondContact O-CB 3.4Å; V229-K232 PolarHBondContact O-N 2.96Å; V229-K232 VanDerWaalsContact O-N 3.16Å; A230-K232 VanDerWaalsContact C-N 3.3Å; A230-K232 PolarHBondContact O-N 3.08Å; K232-E236 HydrophobicContact CB-CB 4.36Å; K232-F237 HydrophobicContact CB-CB 4.49Å
233P91.5Very high91.3Very high81 Ų8197.5 Ų97.553%0.52650%0.499SS..  trans-64.6155.7173.827.4-34.4000112.3T235 E236 F237P233-T235 VanDerWaalsContact C-N 3.35Å; P233-T235 PolarHBondContact O-N 2.83Å; P233-T235 VanDerWaalsContact O-N 3.09Å; P233-E236 HydrophobicContact CG-CB 4.33Å; P233-E236 PolarHBondContact O-N 3.05Å; P233-F237 PolarHBondContact O-N 3.01Å
234Q91.5Very high91.2Very high154 Ų15492.9 Ų92.972%0.7248%0.479SS*.Hα-helixtrans-44.9-48.5-167.3-176.1-177.30.200115.2L238Q234-L238 HydrophobicContact CG-CD1 4.17Å; Q234-L238 VanDerWaalsContact O-CG 3.27Å; Q234-L238 WeakPolarHBondContact O-CG 3.32Å; Q234-L238 PolarHBondContact O-N 2.8Å; Q234-L238 VanDerWaalsContact O-N 3.11Å
235T90.1Very high91Very high106 Ų10689.3 Ų89.365%0.6547%0.466SS*.Hα-helixtrans-69.6-41.8-176.643.30000112.4P233 M239P233-T235 VanDerWaalsContact C-N 3.35Å; P233-T235 PolarHBondContact O-N 2.83Å; P233-T235 VanDerWaalsContact O-N 3.09Å; T235-M239 VanDerWaalsContact O-CG 3.31Å; T235-M239 WeakPolarHBondContact O-CG 3.45Å; T235-M239 PolarHBondContact O-N 3.02Å; T235-M239 VanDerWaalsContact O-N 3.14Å
236E87.6Confident90.8Very high64 Ų6491.2 Ų91.230%0.29948%0.481SS..Hα-helixtrans-71-37.6179-167.7-178.2168.200111.6K232 P233 M239 K240K232-E236 HydrophobicContact CB-CB 4.36Å; P233-E236 HydrophobicContact CG-CB 4.33Å; P233-E236 PolarHBondContact O-N 3.05Å; E236-M239 PolarHBondContact O-N 2.87Å; E236-K240 HydrophobicContact CG-CD 4.11Å; E236-K240 WeakPolarHBondContact O-CB 2.86Å; E236-K240 WeakPolarHBondContact O-CG 3.45Å; E236-K240 PolarHBondContact O-N 2.78Å; E236-K240 VanDerWaalsContact O-N 3.1Å; E236-K240 WeakPolarHBondContact OE1-CE 3.31Å; E236-K240 IonicContact OE1-NZ 3.92Å; E236-K240 PolarHBondContact OE1-NZ 3.43Å
237F92.9Very high90.8Very high68 Ų6895.5 Ų95.530%0.29849%0.492SS..Hα-helixtrans-56.8-54.1171.6172.6-93.4000111.2V229 K232 P233 M239 K240 Y241V229-F237 HydrophobicContact CG1-CD2 3.93Å; V229-F237 HydrophobicContact CG1-CE2 4.28Å; V229-F237 WeakPolarHBondContact O-CD2 3.42Å; K232-F237 HydrophobicContact CB-CB 4.49Å; P233-F237 PolarHBondContact O-N 3.01Å; F237-M239 VanDerWaalsContact C-N 3.28Å; F237-M239 PolarHBondContact O-N 3.01Å; F237-K240 PolarHBondContact O-N 3.32Å; F237-K240 VanDerWaalsContact O-N 3.12Å; F237-Y241 HydrophobicContact CE1-CD2 4.11Å; F237-Y241 HydrophobicContact CE1-CG 4.36Å; F237-Y241 AromaticContact CE2-CD2 3.89Å; F237-Y241 HydrophobicContact CE2-CD2 3.89Å; F237-Y241 AromaticContact CZ-CD2 3.44Å; F237-Y241 HydrophobicContact CZ-CD2 3.44Å; F237-Y241 VanDerWaalsContact CZ-CD2 3.44Å; F237-Y241 AromaticContact CZ-CE2 3.98Å; F237-Y241 HydrophobicContact CZ-CE2 3.98Å; F237-Y241 HydrophobicContact CZ-CG 4.14Å; F237-Y241 VanDerWaalsContact O-CB 3.32Å; F237-Y241 WeakPolarHBondContact O-CB 3.35Å; F237-Y241 PolarHBondContact O-N 2.92Å
238L89.6Confident90.7Very high106 Ų10691.9 Ų91.956%0.55548%0.477SS*.Hα-helixtrans-61.7-35.4-178-71.3171.4000112.5Q234Q234-L238 HydrophobicContact CG-CD1 4.17Å; Q234-L238 VanDerWaalsContact O-CG 3.27Å; Q234-L238 WeakPolarHBondContact O-CG 3.32Å; Q234-L238 PolarHBondContact O-N 2.8Å; Q234-L238 VanDerWaalsContact O-N 3.11Å
239M88Confident90.8Very high160 Ų16092.4 Ų92.479%0.78848%0.479SS*.Hα-helixtrans-67.8-37.3176-73.5179.571.500112.8T235 E236 F237T235-M239 VanDerWaalsContact O-CG 3.31Å; T235-M239 WeakPolarHBondContact O-CG 3.45Å; T235-M239 PolarHBondContact O-N 3.02Å; T235-M239 VanDerWaalsContact O-N 3.14Å; E236-M239 PolarHBondContact O-N 2.87Å; F237-M239 VanDerWaalsContact C-N 3.28Å; F237-M239 PolarHBondContact O-N 3.01Å
240K90.6Very high90.8Very high85 Ų8597.9 Ų97.937%0.3750%0.502SS..Hα-helixtrans-91.5-26.9-174.4-70.1179.8175.9178.20113.8V229 E236 F237 C242 L243 V244V229-K240 HydrophobicContact CG1-CB 4.48Å; E236-K240 HydrophobicContact CG-CD 4.11Å; E236-K240 WeakPolarHBondContact O-CB 2.86Å; E236-K240 WeakPolarHBondContact O-CG 3.45Å; E236-K240 PolarHBondContact O-N 2.78Å; E236-K240 VanDerWaalsContact O-N 3.1Å; E236-K240 WeakPolarHBondContact OE1-CE 3.31Å; E236-K240 IonicContact OE1-NZ 3.92Å; E236-K240 PolarHBondContact OE1-NZ 3.43Å; F237-K240 PolarHBondContact O-N 3.32Å; F237-K240 VanDerWaalsContact O-N 3.12Å; K240-C242 PolarHBondContact O-N 3.36Å; K240-L243 PolarHBondContact O-N 2.77Å; K240-L243 VanDerWaalsContact O-N 3.16Å; K240-V244 WeakPolarHBondContact O-CG2 3.4Å; K240-V244 PolarHBondContact O-N 2.89Å
241Y88.9Confident90.8Very high118 Ų11895.4 Ų95.446%0.46348%0.479SS..Hα-helixtrans-52.5-55.2-173-177.2-98000112.3F237 L243 V244 T245F237-Y241 HydrophobicContact CE1-CD2 4.11Å; F237-Y241 HydrophobicContact CE1-CG 4.36Å; F237-Y241 AromaticContact CE2-CD2 3.89Å; F237-Y241 HydrophobicContact CE2-CD2 3.89Å; F237-Y241 AromaticContact CZ-CD2 3.44Å; F237-Y241 HydrophobicContact CZ-CD2 3.44Å; F237-Y241 VanDerWaalsContact CZ-CD2 3.44Å; F237-Y241 AromaticContact CZ-CE2 3.98Å; F237-Y241 HydrophobicContact CZ-CE2 3.98Å; F237-Y241 HydrophobicContact CZ-CG 4.14Å; F237-Y241 VanDerWaalsContact O-CB 3.32Å; F237-Y241 WeakPolarHBondContact O-CB 3.35Å; F237-Y241 PolarHBondContact O-N 2.92Å; Y241-L243 VanDerWaalsContact C-N 3.26Å; Y241-L243 PolarHBondContact O-N 3.44Å; Y241-V244 PolarHBondContact O-N 2.89Å; Y241-V244 VanDerWaalsContact O-N 3.08Å; Y241-T245 PolarHBondContact O-N 2.58Å; Y241-T245 PolarHBondContact O-OG1 2.82Å
242C87Confident90.9Very high93 Ų9393 Ų9363%0.62847%0.466SS*.Hα-helixtrans-57.5-37.8-177.8-61.60000113.2K240 S246K240-C242 PolarHBondContact O-N 3.36Å; C242-S246 WeakPolarHBondContact O-CB 3.48Å; C242-S246 PolarHBondContact O-N 2.95Å; C242-S246 VanDerWaalsContact O-N 3.11Å
243L89.3Confident90.8Very high131 Ų13193.1 Ų93.169%0.68648%0.482SS*.Hα-helixtrans-69.9-42.6178.5-178.165.1000111.5K240 Y241 R247K240-L243 PolarHBondContact O-N 2.77Å; K240-L243 VanDerWaalsContact O-N 3.16Å; Y241-L243 VanDerWaalsContact C-N 3.26Å; Y241-L243 PolarHBondContact O-N 3.44Å; L243-R247 WeakPolarHBondContact O-CB 3.22Å; L243-R247 PolarHBondContact O-N 2.92Å
244V92.7Very high90.7Very high17 Ų1794.4 Ų94.410%0.10348%0.481CS..Hα-helixtrans-68.1-43.9179.8175.10000110.7M222 V225 L226 V229 K240 Y241 S246 R247 L248M222-V244 HydrophobicContact SD-CG1 4.23Å; V225-V244 HydrophobicContact CG1-CG1 4.23Å; V225-V244 HydrophobicContact CG1-CG2 4.22Å; L226-V244 HydrophobicContact CD2-CG1 3.57Å; L226-V244 HydrophobicContact CG-CG1 4.36Å; V229-V244 HydrophobicContact CG2-CG2 3.97Å; K240-V244 WeakPolarHBondContact O-CG2 3.4Å; K240-V244 PolarHBondContact O-N 2.89Å; Y241-V244 PolarHBondContact O-N 2.89Å; Y241-V244 VanDerWaalsContact O-N 3.08Å; V244-S246 PolarHBondContact O-N 2.89Å; V244-R247 PolarHBondContact O-N 2.95Å; V244-L248 WeakPolarHBondContact O-CB 3.07Å; V244-L248 PolarHBondContact O-N 2.88Å
245T90.3Very high90.5Very high38 Ų3890.4 Ų90.423%0.23347%0.47CS..Hα-helixtrans-63-41.5177-40.60000111.6Y241 R247 L248 Q249Y241-T245 PolarHBondContact O-N 2.58Å; Y241-T245 PolarHBondContact O-OG1 2.82Å; T245-R247 PolarHBondContact O-N 2.73Å; T245-L248 PolarHBondContact O-N 3.46Å; T245-Q249 WeakPolarHBondContact O-CG 3.38Å; T245-Q249 PolarHBondContact O-N 2.9Å
246S90.6Very high90.2Very high72 Ų7286.7 Ų86.750%0.50345%0.448SS..Hα-helixtrans-61.9-42.7174.7-179.90000111.8C242 V244 Q249 K250C242-S246 WeakPolarHBondContact O-CB 3.48Å; C242-S246 PolarHBondContact O-N 2.95Å; C242-S246 VanDerWaalsContact O-N 3.11Å; V244-S246 PolarHBondContact O-N 2.89Å; S246-Q249 PolarHBondContact O-N 3.33Å; S246-K250 PolarHBondContact O-N 2.67Å
247R92.1Very high89.8Confident162 Ų16288.6 Ų88.661%0.61147%0.466SS*.Hα-helixtrans-66.9-39.2177.6-166.4176.3172.8-177.91.4112.3M222 L243 V244 T245 K250 I251M222-R247 HydrophobicContact CE-CB 3.87Å; M222-R247 HydrophobicContact CE-CG 3.5Å; L243-R247 WeakPolarHBondContact O-CB 3.22Å; L243-R247 PolarHBondContact O-N 2.92Å; V244-R247 PolarHBondContact O-N 2.95Å; T245-R247 PolarHBondContact O-N 2.73Å; R247-K250 PolarHBondContact O-N 3.23Å; R247-I251 WeakPolarHBondContact O-CG1 3.25Å; R247-I251 PolarHBondContact O-N 3.47Å; R247-I251 VanDerWaalsContact O-N 3.09Å
248L93.2Very high88.6Confident43 Ų4391.5 Ų91.523%0.22549%0.492CS..Hα-helixtrans-62.4-48.7174.1174.364.9000111.3M222 L226 V244 T245 K250 I251 L252M222-L248 HydrophobicContact CG-CB 4.27Å; M222-L248 HydrophobicContact CG-CD1 3.71Å; M222-L248 HydrophobicContact SD-CB 4.36Å; L226-L248 HydrophobicContact CD1-CD2 4.22Å; V244-L248 WeakPolarHBondContact O-CB 3.07Å; V244-L248 PolarHBondContact O-N 2.88Å; T245-L248 PolarHBondContact O-N 3.46Å; L248-K250 PolarHBondContact O-N 3.47Å; L248-I251 PolarHBondContact O-N 3.44Å; L248-L252 HydrophobicContact CD1-CD1 3.99Å; L248-L252 HydrophobicContact CD1-CG 4.07Å; L248-L252 HydrophobicContact CG-CD1 3.96Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CG 3.3Å; L248-L252 PolarHBondContact O-N 2.94Å
249Q93.3Very high87.7Confident128 Ų12889.1 Ų89.160%0.59849%0.487SS*.Hα-helixtrans-58.1-38.5177.4-76.3179.5-15.200111.8T245 S246 A253T245-Q249 WeakPolarHBondContact O-CG 3.38Å; T245-Q249 PolarHBondContact O-N 2.9Å; S246-Q249 PolarHBondContact O-N 3.33Å; Q249-A253 VanDerWaalsContact O-CB 3.32Å; Q249-A253 WeakPolarHBondContact O-CB 3.39Å; Q249-A253 PolarHBondContact O-N 2.85Å
250K92.8Very high86.7Confident129 Ų12993.1 Ų93.156%0.56149%0.493SS*.Hα-helixtrans-63.1-47.9175.3-173176.8176.7179.90112.4S246 R247 L248 L252 A253 E254S246-K250 PolarHBondContact O-N 2.67Å; R247-K250 PolarHBondContact O-N 3.23Å; L248-K250 PolarHBondContact O-N 3.47Å; K250-L252 PolarHBondContact O-N 3.5Å; K250-A253 PolarHBondContact O-N 3.24Å; K250-E254 WeakPolarHBondContact CE-OE1 3.41Å; K250-E254 WeakPolarHBondContact O-CG 3.17Å; K250-E254 PolarHBondContact O-N 3.38Å
251I92.1Very high86Confident17 Ų1792.5 Ų92.59%0.08749%0.493CS..Hα-helixtrans-60.4-48.4178-65.6171.7000110.2Y215 Q218 L219 M222 R247 L248 A253 E254Y215-I251 HydrophobicContact CD2-CG2 4.48Å; Y215-I251 HydrophobicContact CE2-CG2 3.76Å; Y215-I251 VanDerWaalsContact CE2-O 3.3Å; Y215-I251 WeakPolarHBondContact CE2-O 3.31Å; Y215-I251 PolarHBondContact OH-O 2.54Å; Q218-I251 HydrophobicContact CB-CG2 4.49Å; L219-I251 HydrophobicContact CD2-CG2 3.71Å; L219-I251 HydrophobicContact CG-CG2 4.38Å; M222-I251 HydrophobicContact CB-CD1 4.09Å; M222-I251 HydrophobicContact CE-CD1 3.45Å; M222-I251 VanDerWaalsContact CE-CD1 3.45Å; M222-I251 HydrophobicContact CG-CD1 4.32Å; R247-I251 WeakPolarHBondContact O-CG1 3.25Å; R247-I251 PolarHBondContact O-N 3.47Å; R247-I251 VanDerWaalsContact O-N 3.09Å; L248-I251 PolarHBondContact O-N 3.44Å; I251-A253 VanDerWaalsContact C-N 3.25Å; I251-A253 PolarHBondContact O-N 3.4Å; I251-E254 PolarHBondContact O-N 2.93Å
252L92.4Very high85.2Confident97 Ų9793.1 Ų93.151%0.50851%0.505SS..Hα-helixtrans-62-33-179.5-66.3175.5000113L219 L248 K250 E254L219-L252 HydrophobicContact CD2-CD2 4.02Å; L248-L252 HydrophobicContact CD1-CD1 3.99Å; L248-L252 HydrophobicContact CD1-CG 4.07Å; L248-L252 HydrophobicContact CG-CD1 3.96Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CG 3.3Å; L248-L252 PolarHBondContact O-N 2.94Å; K250-L252 PolarHBondContact O-N 3.5Å; L252-E254 VanDerWaalsContact C-N 3.3Å
253A90.4Very high84.7Confident86 Ų8693.1 Ų93.171%0.71150%0.498SS*.Hα-helixtrans-72.1-21.9175.700000113.5Q249 K250 I251 S255Q249-A253 VanDerWaalsContact O-CB 3.32Å; Q249-A253 WeakPolarHBondContact O-CB 3.39Å; Q249-A253 PolarHBondContact O-N 2.85Å; K250-A253 PolarHBondContact O-N 3.24Å; I251-A253 VanDerWaalsContact C-N 3.25Å; I251-A253 PolarHBondContact O-N 3.4Å; A253-S255 VanDerWaalsContact C-N 3.34Å
254E88.9Confident84Confident109 Ų10993.8 Ų93.851%0.50950%0.497SS..THydrogen-bonded Turntrans-93.115-178.5-70.9173.1-177.800112.9K250 I251 L252K250-E254 WeakPolarHBondContact CE-OE1 3.41Å; K250-E254 WeakPolarHBondContact O-CG 3.17Å; K250-E254 PolarHBondContact O-N 3.38Å; I251-E254 PolarHBondContact O-N 2.93Å; L252-E254 VanDerWaalsContact C-N 3.3Å
255S87Confident83.2Confident69 Ų6997.7 Ų97.748%0.48352%0.517SS..PPolyproline II helixtrans-54126.8178.6-175.60000111.9A253A253-S255 VanDerWaalsContact C-N 3.34Å
256P83.8Confident82.3Confident28 Ų2898.9 Ų98.918%0.18253%0.526CS..PPolyproline II helixtrans-60.8138.4175.6-2131.4000111.3L212 Y215L212-P256 HydrophobicContact CD2-CB 4.05Å; L212-P256 HydrophobicContact CD2-CG 4.1Å; Y215-P256 HydrophobicContact CD1-CG 4.34Å; Y215-P256 HydrophobicContact CG-CG 4.14Å
257P79.2Confident81.5Confident105 Ų105102.1 Ų102.168%0.68254%0.536SS*.PPolyproline II helixtrans-70.5153.1174.129.6-33.8000111.1A259P257-A259 PolarHBondContact O-N 2.83Å
258P69.1Low80.8Confident129 Ų129100.8 Ų100.884%0.83854%0.539SS*.PPolyproline II helixtrans-67.4118.4176.526-32000110.8
259A70.1Confident80.2Confident55 Ų55100.8 Ų100.846%0.45554%0.543SS..PPolyproline II helixtrans-73135.917400000111.1E208 P257E208-A259 HydrophobicContact CG-CB 3.8Å; P257-A259 PolarHBondContact O-N 2.83Å
260R67.7Low79.6Confident244 Ų24499.6 Ų99.692%0.92154%0.541SS*.  trans-114.4116163.6-73.5-171.3177.1-170.3-0.3108.2
261L74.6Confident79.1Confident72 Ų7298 Ų9838%0.37754%0.538SS..  trans-89.5128.6167-110.292.4000109A201 A204 L205A201-L261 HydrophobicContact CB-CD2 3.87Å; A204-L261 HydrophobicContact CB-CD1 3.87Å; A204-L261 HydrophobicContact CB-CD2 4Å; A204-L261 HydrophobicContact CB-CG 4.48Å; L205-L261 HydrophobicContact CD2-CD1 4.27Å
262D73.1Confident78.7Confident132 Ų13299.2 Ų99.271%0.70654%0.543SS*.  trans-99.3116.6166.1-165.523.3000108Q264D262-Q264 PolarHBondContact OD2-NE2 3.42Å
263I76.4Confident78.3Confident93 Ų93100.3 Ų100.348%0.47754%0.544SS..  trans-99.9113.3-179-59.9177.4000107.1V197 A201V197-I263 HydrophobicContact CG1-CG2 3.49Å; V197-I263 VanDerWaalsContact CG1-CG2 3.49Å; A201-I263 HydrophobicContact CB-CD1 3.99Å; A201-I263 HydrophobicContact CB-CG1 4.22Å
264Q74.4Confident78Confident145 Ų145102.7 Ų102.768%0.67854%0.538SS*.  trans-102.2117.2178.7-63.1-174.45.400109.6D262D262-Q264 PolarHBondContact OD2-NE2 3.42Å
265L75.3Confident77.7Confident99 Ų99101.5 Ų101.552%0.51853%0.533SS..  trans-108.2155.4169.2-73.9171.6000109.5A194 V197 I267A194-L265 HydrophobicContact CB-CD2 4.21Å; V197-L265 HydrophobicContact CB-CD2 4.12Å; V197-L265 HydrophobicContact CG1-CD2 4.01Å; V197-L265 HydrophobicContact CG2-CD2 4.37Å; L265-I267 PolarHBondContact O-N 2.91Å
266P71.9Confident77.7Confident63 Ų6399.3 Ų99.341%0.40952%0.516SS..  trans-55126.1173-22.332.2000110.9L190 E193 I268L190-P266 HydrophobicContact CD2-CG 4.4Å; E193-P266 HydrophobicContact CG-CG 4.32Å; P266-I268 PolarHBondContact O-N 2.92Å
267I73.4Confident77.8Confident140 Ų140105.1 Ų105.172%0.71854%0.535SS*.  trans-79.1117.1176.4-58.4174.5000108L265 S269L265-I267 PolarHBondContact O-N 2.91Å; I267-S269 VanDerWaalsContact C-N 3.28Å; I267-S269 PolarHBondContact O-N 3.18Å
268I77.4Confident78.2Confident133 Ų133103.8 Ų103.868%0.68252%0.516SS*.  trans-76.685.7170.9-54.3177.7000107.9P266 F272P266-I268 PolarHBondContact O-N 2.92Å; I268-F272 HydrophobicContact CG2-CD1 4.01Å; I268-F272 HydrophobicContact CG2-CE1 4.41Å
269S81.4Confident79.1Confident43 Ų43100.8 Ų100.830%0.30149%0.49SS..  trans-100.4174.3176.665.70000111.4I267 D271 F272 K273I267-S269 VanDerWaalsContact C-N 3.28Å; I267-S269 PolarHBondContact O-N 3.18Å; S269-D271 PolarHBondContact O-N 3.45Å; S269-D271 PolarHBondContact OG-N 2.95Å; S269-F272 WeakPolarHBondContact O-CB 3.35Å; S269-F272 PolarHBondContact O-N 2.92Å; S269-F272 PolarHBondContact OG-N 3.32Å; S269-F272 VanDerWaalsContact OG-N 3.11Å; S269-K273 PolarHBondContact O-N 2.63Å
270D79.8Confident79.9Confident103 Ų10398.7 Ų98.755%0.55147%0.471SS*.Hα-helixtrans-64.2-34.1169.3-70.3-30.9000111.7F272 K273 F274D270-F272 VanDerWaalsContact C-N 3.31Å; D270-F272 PolarHBondContact O-N 3.18Å; D270-K273 WeakPolarHBondContact O-CB 3.49Å; D270-K273 PolarHBondContact O-N 3.37Å; D270-K273 VanDerWaalsContact O-N 3.12Å; D270-K273 IonicContact OD1-NZ 2.99Å; D270-K273 PolarHBondContact OD1-NZ 3.46Å; D270-F274 HydrophobicContact CB-CE2 4.43Å; D270-F274 WeakPolarHBondContact O-CD2 3.5Å; D270-F274 PolarHBondContact O-N 2.93Å; D270-F274 VanDerWaalsContact O-N 3.07Å
271D82.4Confident80.7Confident95 Ų9590 Ų9051%0.50844%0.44SS..Hα-helixtrans-59-43.1172.9-174.966.6000111.5S269 K273 F274 Q275S269-D271 PolarHBondContact O-N 3.45Å; S269-D271 PolarHBondContact OG-N 2.95Å; D271-K273 VanDerWaalsContact C-N 3.33Å; D271-K273 PolarHBondContact O-N 3.39Å; D271-F274 PolarHBondContact O-N 2.75Å; D271-Q275 WeakPolarHBondContact O-CG 3.46Å; D271-Q275 PolarHBondContact O-N 3.28Å; D271-Q275 PolarHBondContact OD2-NE2 2.87Å
272F83.1Confident81.4Confident43 Ų4389.3 Ų89.319%0.18943%0.432CS..Hα-helixtrans-56.9-44.7173.3172.4-94.1000111.8L190 I268 S269 D270 F274 Q275 V276L190-F272 HydrophobicContact CD1-CE2 4.35Å; L190-F272 HydrophobicContact CD1-CZ 3.76Å; L190-F272 HydrophobicContact CD2-CE2 4.28Å; L190-F272 HydrophobicContact CD2-CZ 4.49Å; I268-F272 HydrophobicContact CG2-CD1 4.01Å; I268-F272 HydrophobicContact CG2-CE1 4.41Å; S269-F272 WeakPolarHBondContact O-CB 3.35Å; S269-F272 PolarHBondContact O-N 2.92Å; S269-F272 PolarHBondContact OG-N 3.32Å; S269-F272 VanDerWaalsContact OG-N 3.11Å; D270-F272 VanDerWaalsContact C-N 3.31Å; D270-F272 PolarHBondContact O-N 3.18Å; F272-F274 VanDerWaalsContact C-N 3.34Å; F272-F274 PolarHBondContact O-N 3.43Å; F272-Q275 PolarHBondContact O-N 3.21Å; F272-V276 HydrophobicContact CD1-CG2 4.22Å; F272-V276 HydrophobicContact CD2-CG2 4.47Å; F272-V276 HydrophobicContact CE1-CG2 3.73Å; F272-V276 HydrophobicContact CE2-CG2 4.01Å; F272-V276 HydrophobicContact CZ-CG2 3.61Å; F272-V276 WeakPolarHBondContact O-CG2 3.49Å; F272-V276 PolarHBondContact O-N 2.67Å
273K83.9Confident82Confident120 Ų12085.8 Ų85.852%0.52242%0.421SS..Hα-helixtrans-60.7-42.7177.8-61.3171.9-168.3159.70111.8S269 D270 D271 V276 W277S269-K273 PolarHBondContact O-N 2.63Å; D270-K273 WeakPolarHBondContact O-CB 3.49Å; D270-K273 PolarHBondContact O-N 3.37Å; D270-K273 VanDerWaalsContact O-N 3.12Å; D270-K273 IonicContact OD1-NZ 2.99Å; D270-K273 PolarHBondContact OD1-NZ 3.46Å; D271-K273 VanDerWaalsContact C-N 3.33Å; D271-K273 PolarHBondContact O-N 3.39Å; K273-V276 PolarHBondContact O-N 3.11Å; K273-W277 PolarHBondContact O-N 3.46Å
274F83.9Confident82.5Confident136 Ų13683.5 Ų83.560%0.59641%0.41SS*.Hα-helixtrans-65.9-39.4176.7-72-65.4000112.2D270 D271 F272 W277 R278D270-F274 HydrophobicContact CB-CE2 4.43Å; D270-F274 WeakPolarHBondContact O-CD2 3.5Å; D270-F274 PolarHBondContact O-N 2.93Å; D270-F274 VanDerWaalsContact O-N 3.07Å; D271-F274 PolarHBondContact O-N 2.75Å; F272-F274 VanDerWaalsContact C-N 3.34Å; F272-F274 PolarHBondContact O-N 3.43Å; F274-W277 PolarHBondContact O-N 3.22Å; F274-R278 VanDerWaalsContact O-CG 3.3Å; F274-R278 WeakPolarHBondContact O-CG 3.4Å; F274-R278 PolarHBondContact O-N 2.81Å
275Q83.7Confident83.2Confident85 Ų8577.8 Ų77.840%0.39738%0.383SS..Hα-helixtrans-61.2-47174.3-70.1-177.317.200111.3D271 F272 W277 R278 K279D271-Q275 WeakPolarHBondContact O-CG 3.46Å; D271-Q275 PolarHBondContact O-N 3.28Å; D271-Q275 PolarHBondContact OD2-NE2 2.87Å; F272-Q275 PolarHBondContact O-N 3.21Å; Q275-W277 VanDerWaalsContact C-N 3.3Å; Q275-W277 PolarHBondContact O-N 3.44Å; Q275-R278 PolarHBondContact O-N 3.03Å; Q275-K279 WeakPolarHBondContact O-CG 3.49Å; Q275-K279 PolarHBondContact O-N 3.38Å
276V86.9Confident83.9Confident23 Ų2374.7 Ų74.714%0.13937%0.369CS..Hα-helixtrans-56.9-45.3175.9172.20000111.2F182 L183 L186 F272 K273 R278 K279 M280F182-V276 HydrophobicContact CE1-CG1 4.17Å; L183-V276 HydrophobicContact CD2-CG1 4.29Å; L186-V276 HydrophobicContact CD2-CB 4.16Å; L186-V276 HydrophobicContact CD2-CG1 3.57Å; L186-V276 HydrophobicContact CD2-CG2 3.49Å; L186-V276 VanDerWaalsContact CD2-CG2 3.49Å; F272-V276 HydrophobicContact CD1-CG2 4.22Å; F272-V276 HydrophobicContact CD2-CG2 4.47Å; F272-V276 HydrophobicContact CE1-CG2 3.73Å; F272-V276 HydrophobicContact CE2-CG2 4.01Å; F272-V276 HydrophobicContact CZ-CG2 3.61Å; F272-V276 WeakPolarHBondContact O-CG2 3.49Å; F272-V276 PolarHBondContact O-N 2.67Å; K273-V276 PolarHBondContact O-N 3.11Å; V276-R278 PolarHBondContact O-N 3.39Å; V276-K279 PolarHBondContact O-N 3.26Å; V276-M280 VanDerWaalsContact O-CB 3.32Å; V276-M280 WeakPolarHBondContact O-CB 3.36Å; V276-M280 PolarHBondContact O-N 3.1Å
277W86Confident84.7Confident149 Ų14975.9 Ų75.956%0.56438%0.384SS*.Hα-helixtrans-59.7-46.6176.8-179.6-97.9000112.4K273 F274 Q275 K279 M280 F281K273-W277 PolarHBondContact O-N 3.46Å; F274-W277 PolarHBondContact O-N 3.22Å; Q275-W277 VanDerWaalsContact C-N 3.3Å; Q275-W277 PolarHBondContact O-N 3.44Å; W277-K279 PolarHBondContact O-N 3.24Å; W277-M280 HydrophobicContact CD2-CE 4.2Å; W277-M280 HydrophobicContact CE3-CE 3.33Å; W277-M280 HydrophobicContact CH2-CE 4.15Å; W277-M280 HydrophobicContact CZ3-CE 3.31Å; W277-M280 PolarHBondContact O-N 3.09Å; W277-F281 WeakPolarHBondContact O-CB 3.3Å; W277-F281 PolarHBondContact O-N 3.47Å
278R87.1Confident85.7Confident78 Ų7871.5 Ų71.529%0.29436%0.362SS..Hα-helixtrans-64.3-38.6179.3-69.5170.657.9-170.5-7.8112.7F274 Q275 V276 R282 A434 L435F274-R278 VanDerWaalsContact O-CG 3.3Å; F274-R278 WeakPolarHBondContact O-CG 3.4Å; F274-R278 PolarHBondContact O-N 2.81Å; Q275-R278 PolarHBondContact O-N 3.03Å; V276-R278 PolarHBondContact O-N 3.39Å; R278-R282 PolarHBondContact O-N 2.93Å; R278-A434 HydrophobicContact CB-CB 3.93Å; R278-L435 WeakPolarHBondContact CG-O 3.3Å; R278-L435 PolarHBondContact O-N 3.02Å
279K87.8Confident86.5Confident66 Ų6667.9 Ų67.929%0.28734%0.342SS..Hα-helixtrans-68.9-43.5175.8-66.7-162.6179.6-153.10111.9F182 Q275 V276 W277 F281 R282 A283 D433 A434F182-K279 HydrophobicContact CE2-CB 4.1Å; F182-K279 HydrophobicContact CZ-CB 3.69Å; Q275-K279 WeakPolarHBondContact O-CG 3.49Å; Q275-K279 PolarHBondContact O-N 3.38Å; V276-K279 PolarHBondContact O-N 3.26Å; W277-K279 PolarHBondContact O-N 3.24Å; K279-F281 VanDerWaalsContact C-N 3.3Å; K279-F281 PolarHBondContact O-N 3.27Å; K279-R282 WeakPolarHBondContact O-CB 3.44Å; K279-R282 PolarHBondContact O-N 3.47Å; K279-A283 PolarHBondContact O-N 2.98Å; K279-A283 VanDerWaalsContact O-N 3.1Å; K279-D433 VanDerWaalsContact CA-O 3.29Å; K279-D433 WeakPolarHBondContact CA-O 3.45Å; K279-D433 HydrophobicContact CD-CB 3.94Å; K279-D433 HydrophobicContact CG-CB 4.15Å; K279-D433 WeakPolarHBondContact CG-O 3.32Å; K279-D433 IonicContact NZ-OD2 3.94Å; K279-D433 PolarHBondContact NZ-OD2 2.97Å; K279-A434 HydrophobicContact CG-CB 4.21Å
280M87.6Confident87Confident11 Ų1171 Ų715%0.05435%0.352CS..Hα-helixtrans-60.2-43.3175.2-172.417864.800111M179 F182 V276 W277 R282 A283 L284M179-M280 HydrophobicContact CB-SD 4.14Å; M179-M280 HydrophobicContact CE-CE 3.58Å; M179-M280 HydrophobicContact CE-SD 3.73Å; M179-M280 HydrophobicContact CG-SD 4.11Å; F182-M280 HydrophobicContact CD1-CB 3.65Å; F182-M280 HydrophobicContact CD1-CG 3.67Å; F182-M280 HydrophobicContact CD1-SD 4.37Å; F182-M280 HydrophobicContact CE1-CB 3.51Å; F182-M280 HydrophobicContact CE1-CG 4.08Å; F182-M280 HydrophobicContact CG-CB 4.38Å; F182-M280 HydrophobicContact CG-CG 4.26Å; F182-M280 HydrophobicContact CZ-CB 4.12Å; V276-M280 VanDerWaalsContact O-CB 3.32Å; V276-M280 WeakPolarHBondContact O-CB 3.36Å; V276-M280 PolarHBondContact O-N 3.1Å; W277-M280 HydrophobicContact CD2-CE 4.2Å; W277-M280 HydrophobicContact CE3-CE 3.33Å; W277-M280 HydrophobicContact CH2-CE 4.15Å; W277-M280 HydrophobicContact CZ3-CE 3.31Å; W277-M280 PolarHBondContact O-N 3.09Å; M280-R282 VanDerWaalsContact C-N 3.3Å; M280-R282 PolarHBondContact O-N 3.04Å; M280-A283 WeakPolarHBondContact O-CB 3.48Å; M280-A283 PolarHBondContact O-N 3.36Å; M280-A283 VanDerWaalsContact O-N 3.09Å; M280-L284 HydrophobicContact CG-CD1 4.4Å; M280-L284 WeakPolarHBondContact O-CG 3.49Å; M280-L284 PolarHBondContact O-N 3.33Å; M280-L284 VanDerWaalsContact O-N 3.1Å
281F84.9Confident87.8Confident62 Ų6266.3 Ų66.327%0.27233%0.327SS..Hα-helixtrans-61.5-38.6179.7-163.3-100.9000112.2W277 K279 L284 M285 Y427 L435W277-F281 WeakPolarHBondContact O-CB 3.3Å; W277-F281 PolarHBondContact O-N 3.47Å; K279-F281 VanDerWaalsContact C-N 3.3Å; K279-F281 PolarHBondContact O-N 3.27Å; F281-L284 PolarHBondContact O-N 3.13Å; F281-M285 HydrophobicContact CD1-CE 3.94Å; F281-M285 HydrophobicContact CE1-CE 3.4Å; F281-M285 HydrophobicContact CZ-CE 4.24Å; F281-M285 PolarHBondContact O-N 2.92Å; F281-Y427 HydrophobicContact CD1-CE1 4.1Å; F281-Y427 HydrophobicContact CE1-CD1 4.25Å; F281-Y427 AromaticContact CE1-CE1 3.35Å; F281-Y427 HydrophobicContact CE1-CE1 3.35Å; F281-Y427 AromaticContact CE1-CZ 3.58Å; F281-Y427 WeakPolarHBondContact CE1-OH 2.96Å; F281-Y427 HydrophobicContact CZ-CE1 4.2Å; F281-L435 HydrophobicContact CD1-CB 4.46Å
282R88.1Confident88.5Confident57 Ų5763.6 Ų63.622%0.21531%0.314CS..Hα-helixtrans-62.1-43.7171.5-171177.2-179.375.63.2112.2R278 K279 M280 L284 M285 E348 A432 D433 L435R278-R282 PolarHBondContact O-N 2.93Å; K279-R282 WeakPolarHBondContact O-CB 3.44Å; K279-R282 PolarHBondContact O-N 3.47Å; M280-R282 VanDerWaalsContact C-N 3.3Å; M280-R282 PolarHBondContact O-N 3.04Å; R282-L284 PolarHBondContact O-N 3.44Å; R282-M285 WeakPolarHBondContact O-CB 3.37Å; R282-M285 PolarHBondContact O-N 3.42Å; R282-M285 VanDerWaalsContact O-N 3.11Å; R282-E348 IonicContact CZ-OE1 2.96Å; R282-E348 IonicContact NH1-OE1 3.51Å; R282-E348 PolarHBondContact NH1-OE1 3.42Å; R282-E348 IonicContact NH2-OE1 3.67Å; R282-E348 PolarHBondContact NH2-OE1 3.24Å; R282-E348 IonicContact NH2-OE2 2.69Å; R282-E348 PolarHBondContact NH2-OE2 2.95Å; R282-A432 WeakPolarHBondContact CD-O 3.39Å; R282-A432 PolarHBondContact NE-O 3.3Å; R282-D433 WeakPolarHBondContact CD-O 3.41Å; R282-L435 HydrophobicContact CB-CD1 4.11Å; R282-L435 HydrophobicContact CB-CG 3.94Å; R282-L435 HydrophobicContact CG-CD1 4.15Å; R282-L435 HydrophobicContact CG-CG 4.03Å; R282-L435 VanDerWaalsContact NH1-CD2 3.32Å
283A86.3Confident89.2Confident57 Ų5761.6 Ų61.647%0.47131%0.305SS..Hα-helixtrans-65.9-17.7178.500000113.8F182 K279 M280F182-A283 HydrophobicContact CD2-CB 3.91Å; F182-A283 HydrophobicContact CE2-CB 4.5Å; F182-A283 HydrophobicContact CG-CB 4.49Å; K279-A283 PolarHBondContact O-N 2.98Å; K279-A283 VanDerWaalsContact O-N 3.1Å; M280-A283 WeakPolarHBondContact O-CB 3.48Å; M280-A283 PolarHBondContact O-N 3.36Å; M280-A283 VanDerWaalsContact O-N 3.09Å
284L86.8Confident89.8Confident45 Ų4556.9 Ų56.924%0.23629%0.286CS..THydrogen-bonded Turntrans-88.2-13.6175.5-68.1173.2000113.3K178 M179 M280 F281 R282K178-L284 HydrophobicContact CB-CD2 3.69Å; M179-L284 HydrophobicContact CG-CD1 4.01Å; M179-L284 HydrophobicContact CG-CD2 3.82Å; M179-L284 HydrophobicContact CG-CG 4.42Å; M280-L284 HydrophobicContact CG-CD1 4.4Å; M280-L284 WeakPolarHBondContact O-CG 3.49Å; M280-L284 PolarHBondContact O-N 3.33Å; M280-L284 VanDerWaalsContact O-N 3.1Å; F281-L284 PolarHBondContact O-N 3.13Å; R282-L284 PolarHBondContact O-N 3.44Å
285M88.6Confident90.4Very high26 Ų2654 Ų5413%0.12828%0.28CS..SBendtrans-64.5151.2177.7-69.2-59.8-16700111.3F281 R282 Y346 Y416 Y427 L435F281-M285 HydrophobicContact CD1-CE 3.94Å; F281-M285 HydrophobicContact CE1-CE 3.4Å; F281-M285 HydrophobicContact CZ-CE 4.24Å; F281-M285 PolarHBondContact O-N 2.92Å; R282-M285 WeakPolarHBondContact O-CB 3.37Å; R282-M285 PolarHBondContact O-N 3.42Å; R282-M285 VanDerWaalsContact O-N 3.11Å; M285-Y346 HydrophobicContact CB-CD1 4.26Å; M285-Y346 HydrophobicContact CB-CD2 4.44Å; M285-Y346 HydrophobicContact CB-CG 4.16Å; M285-Y346 HydrophobicContact CE-CD2 4.41Å; M285-Y346 HydrophobicContact CE-CE2 4.27Å; M285-Y346 HydrophobicContact CG-CD2 4.2Å; M285-Y346 HydrophobicContact CG-CE2 4.28Å; M285-Y346 HydrophobicContact CG-CG 4.41Å; M285-Y346 HydrophobicContact SD-CD2 4.12Å; M285-Y346 HydrophobicContact SD-CE2 4.45Å; M285-Y416 HydrophobicContact CE-CG 4.43Å; M285-Y416 HydrophobicContact SD-CD2 3.74Å; M285-Y416 HydrophobicContact SD-CE2 4.32Å; M285-Y416 HydrophobicContact SD-CG 4.05Å; M285-Y427 HydrophobicContact CE-CD2 3.92Å; M285-Y427 HydrophobicContact CE-CE1 4.11Å; M285-Y427 HydrophobicContact CE-CE2 3.44Å; M285-Y427 VanDerWaalsContact CE-CE2 3.44Å; M285-Y427 HydrophobicContact CE-CG 4.45Å; M285-L435 HydrophobicContact CE-CD1 3.54Å; M285-L435 HydrophobicContact CG-CD1 3.69Å; M285-L435 HydrophobicContact SD-CD1 4.5Å
286P90.4Very high90.9Very high34 Ų3452.1 Ų52.122%0.22128%0.276CS..PPolyproline II helixtrans-54.1162.8166-22.832.3000112E344 Y416P286-E344 HydrophobicContact CG-CB 3.75Å; P286-Y416 HydrophobicContact CG-CD2 4.24Å; P286-Y416 HydrophobicContact CG-CE2 3.72Å
287A90.1Very high91.4Very high87 Ų8751 Ų5172%0.71927%0.27SS*.PPolyproline II helixtrans-56.4145.8170.700000110.5E289A287-E289 PolarHBondContact O-N 2.93Å
288L93Very high91.9Very high49 Ų4944.2 Ų44.226%0.25725%0.246SC..BIsolated β-bridgetrans-62.9125.4179.8-167.575000110.4Y346 E348 V470L288-Y346 CarbonylContact C-O 3.56Å; L288-Y346 WeakPolarHBondContact CA-O 3.36Å; L288-Y346 HydrophobicContact CD1-CD1 3.81Å; L288-Y346 HydrophobicContact CD1-CE1 3.82Å; L288-E348 HydrophobicContact CD1-CB 4.11Å; L288-E348 HydrophobicContact CD1-CG 3.9Å; L288-V470 HydrophobicContact CD2-CB 4.22Å; L288-V470 HydrophobicContact CD2-CG1 3.86Å
289E94Very high92.3Very high56 Ų5641.5 Ų41.526%0.26224%0.236SC..PPolyproline II helixtrans-70.4129.8180-155.886.5-155.400110.5A287 L291 H345 Y346 W347A287-E289 PolarHBondContact O-N 2.93Å; E289-L291 HydrophobicContact CB-CD2 4.3Å; E289-L291 HydrophobicContact CB-CG 4.17Å; E289-L291 HydrophobicContact CG-CD2 3.72Å; E289-L291 HydrophobicContact CG-CG 4.15Å; E289-L291 PolarHBondContact O-N 2.95Å; E289-H345 IonicContact OE1-ND1 2.75Å; E289-H345 IonicContact OE2-CE1 2.74Å; E289-H345 IonicContact OE2-CG 3.84Å; E289-H345 IonicContact OE2-ND1 3.57Å; E289-H345 PolarHBondContact OE2-ND1 3.44Å; E289-Y346 WeakPolarHBondContact CB-O 3.23Å; E289-Y346 PolarHBondContact N-O 3.49Å; E289-W347 HydrophobicContact CB-CB 4.21Å
290E92.9Very high92.6Very high110 Ų11039.7 Ų39.751%0.51423%0.231SC..  trans-81.485.1176.1-66.6-164.5173.700111.1S472E290-S472 PolarHBondContact OE1-OG 3.38Å
291L96Very high93Very high3 Ų339.2 Ų39.22%0.01623%0.229CC..  trans-89.6150.8179.3-60.7-176.2000112.8E289 A336 Q338 W347 P451 F453 L469E289-L291 HydrophobicContact CB-CD2 4.3Å; E289-L291 HydrophobicContact CB-CG 4.17Å; E289-L291 HydrophobicContact CG-CD2 3.72Å; E289-L291 HydrophobicContact CG-CG 4.15Å; E289-L291 PolarHBondContact O-N 2.95Å; L291-A336 HydrophobicContact CD2-CB 4.34Å; L291-Q338 HydrophobicContact CD2-CB 3.75Å; L291-Q338 HydrophobicContact CD2-CG 3.97Å; L291-W347 HydrophobicContact CD1-CB 3.63Å; L291-W347 HydrophobicContact CD1-CD2 3.84Å; L291-W347 HydrophobicContact CD1-CG 3.38Å; L291-W347 HydrophobicContact CG-CB 4.28Å; L291-W347 HydrophobicContact CG-CG 4.5Å; L291-P451 HydrophobicContact CD1-CB 3.95Å; L291-P451 HydrophobicContact CD1-CG 3.76Å; L291-P451 HydrophobicContact CD2-CG 4.23Å; L291-F453 HydrophobicContact CD1-CZ 4.49Å; L291-L469 HydrophobicContact CB-CD1 3.87Å; L291-L469 HydrophobicContact CB-CD2 4.08Å; L291-L469 HydrophobicContact CD1-CD2 4.31Å
292T97.4Very high93.5Very high38 Ų3837.1 Ų37.123%0.23322%0.22CC..  trans-137.9138169.252.50000109.5G308 A336 H337 Q338T292-G308 CarbonylContact C-O 3.55Å; T292-G308 WeakPolarHBondContact CA-O 3.43Å; T292-A336 CarbonylContact O-C 3.44Å; T292-A336 VanDerWaalsContact O-CA 3.29Å; T292-A336 WeakPolarHBondContact O-CA 3.29Å; T292-H337 PolarHBondContact O-N 3.11Å; T292-Q338 PolarHBondContact O-OE1 3.25Å; T292-Q338 PolarHBondContact OG1-NE2 2.75Å
293F98.2Very high93.9Very high1 Ų137.8 Ų37.80%0.00423%0.231CC..BIsolated β-bridgetrans-58.6144.5171.9-60.1-61.3000110.8P295 V304 G308 R309 V311 V334 H337 F453 L469F293-P295 VanDerWaalsContact O-CD 3.31Å; F293-P295 WeakPolarHBondContact O-CD 3.3Å; F293-V304 HydrophobicContact CB-CG1 3.84Å; F293-V304 HydrophobicContact CB-CG2 4.25Å; F293-V304 HydrophobicContact CD2-CG1 4.35Å; F293-G308 VanDerWaalsContact CD2-O 3.23Å; F293-G308 WeakPolarHBondContact CD2-O 3.45Å; F293-G308 PolarHBondContact N-O 2.9Å; F293-R309 WeakPolarHBondContact CE2-O 3.43Å; F293-V311 HydrophobicContact CD1-CG1 4.21Å; F293-V311 HydrophobicContact CD2-CB 3.86Å; F293-V311 HydrophobicContact CD2-CG1 4.01Å; F293-V311 HydrophobicContact CE1-CG1 3.77Å; F293-V311 HydrophobicContact CE2-CB 3.81Å; F293-V311 HydrophobicContact CE2-CG1 3.55Å; F293-V311 HydrophobicContact CG-CB 4.27Å; F293-V311 HydrophobicContact CG-CG1 4.33Å; F293-V311 HydrophobicContact CZ-CB 4.19Å; F293-V311 HydrophobicContact CZ-CG1 3.41Å; F293-V311 VanDerWaalsContact CZ-CG1 3.41Å; F293-V334 HydrophobicContact CB-CG2 4.22Å; F293-V334 HydrophobicContact CD1-CG1 3.72Å; F293-V334 HydrophobicContact CE1-CG1 4.23Å; F293-V334 HydrophobicContact CG-CG1 4.37Å; F293-H337 PolarHBondContact O-ND1 2.95Å; F293-F453 AromaticContact CD1-CD2 3.78Å; F293-F453 HydrophobicContact CD1-CD2 3.78Å; F293-F453 HydrophobicContact CD1-CE2 4.03Å; F293-F453 HydrophobicContact CD1-CG 4.22Å; F293-F453 HydrophobicContact CE1-CB 4.11Å; F293-F453 AromaticContact CE1-CD1 3.82Å; F293-F453 HydrophobicContact CE1-CD1 3.82Å; F293-F453 AromaticContact CE1-CD2 3.56Å; F293-F453 HydrophobicContact CE1-CD2 3.56Å; F293-F453 HydrophobicContact CE1-CE1 4.11Å; F293-F453 AromaticContact CE1-CE2 3.86Å; F293-F453 HydrophobicContact CE1-CE2 3.86Å; F293-F453 AromaticContact CE1-CG 3.55Å; F293-F453 HydrophobicContact CE1-CG 3.55Å; F293-F453 HydrophobicContact CE1-CZ 4.14Å; F293-L469 HydrophobicContact CD1-CD1 3.9Å; F293-L469 HydrophobicContact CD2-CD1 4.01Å; F293-L469 HydrophobicContact CE1-CD1 3.73Å; F293-L469 HydrophobicContact CE1-CG 3.93Å; F293-L469 HydrophobicContact CE2-CD1 3.85Å; F293-L469 HydrophobicContact CE2-CG 3.92Å; F293-L469 HydrophobicContact CG-CD1 4.04Å; F293-L469 HydrophobicContact CZ-CD1 3.71Å; F293-L469 HydrophobicContact CZ-CD2 4.44Å; F293-L469 HydrophobicContact CZ-CG 3.56Å
294D97.1Very high94.3Very high22 Ų2236.4 Ų36.412%0.11822%0.216CC..  trans-95.6103.7172.5177.43.2000110.5S296 S297 A298 V334 V335 H337D294-S296 VanDerWaalsContact CG-OG 3.24Å; D294-S296 PolarHBondContact O-N 3.18Å; D294-S296 VanDerWaalsContact OD1-CB 3.32Å; D294-S296 WeakPolarHBondContact OD1-CB 3.31Å; D294-S296 PolarHBondContact OD1-N 3.09Å; D294-S296 PolarHBondContact OD1-OG 3.1Å; D294-S296 PolarHBondContact OD2-OG 3.42Å; D294-S296 VanDerWaalsContact OD2-OG 3.09Å; D294-S297 PolarHBondContact O-N 3.44Å; D294-S297 VanDerWaalsContact O-N 3.13Å; D294-S297 PolarHBondContact O-OG 3.42Å; D294-A298 PolarHBondContact O-N 3Å; D294-V334 VanDerWaalsContact O-CG2 3.31Å; D294-V334 WeakPolarHBondContact O-CG2 3.48Å; D294-V335 PolarHBondContact N-O 2.72Å; D294-H337 WeakPolarHBondContact CA-ND1 3.23Å; D294-H337 IonicContact OD1-CE1 3.95Å; D294-H337 IonicContact OD1-NE2 3.34Å
295P95.8Very high94.8Very high74 Ų7435.7 Ų35.748%0.48122%0.215SC..THydrogen-bonded Turntrans-61.6-25.3179.9-20.933.9000113.5F293 S297 A298 V304F293-P295 VanDerWaalsContact O-CD 3.31Å; F293-P295 WeakPolarHBondContact O-CD 3.3Å; P295-S297 VanDerWaalsContact C-N 3.29Å; P295-S297 PolarHBondContact O-N 2.93Å; P295-A298 WeakPolarHBondContact O-CB 3.45Å; P295-A298 PolarHBondContact O-N 3.11Å; P295-V304 HydrophobicContact CG-CB 4.26Å; P295-V304 HydrophobicContact CG-CG1 4.21Å
296S94.4Very high94.9Very high46 Ų4641 Ų4132%0.32226%0.255SS..THydrogen-bonded Turntrans-71.4-27.7179.175.80000112.4D294D294-S296 VanDerWaalsContact CG-OG 3.24Å; D294-S296 PolarHBondContact O-N 3.18Å; D294-S296 VanDerWaalsContact OD1-CB 3.32Å; D294-S296 WeakPolarHBondContact OD1-CB 3.31Å; D294-S296 PolarHBondContact OD1-N 3.09Å; D294-S296 PolarHBondContact OD1-OG 3.1Å; D294-S296 PolarHBondContact OD2-OG 3.42Å; D294-S296 VanDerWaalsContact OD2-OG 3.09Å
297S96.3Very high95Very high1 Ų142.8 Ų42.81%0.00727%0.268CS..THydrogen-bonded Turntrans-81.9-22174.377.40000113.3D294 P295 R326 Q327 F328 V334 V335D294-S297 PolarHBondContact O-N 3.44Å; D294-S297 VanDerWaalsContact O-N 3.13Å; D294-S297 PolarHBondContact O-OG 3.42Å; P295-S297 VanDerWaalsContact C-N 3.29Å; P295-S297 PolarHBondContact O-N 2.93Å; S297-R326 WeakPolarHBondContact CA-O 3.28Å; S297-Q327 WeakPolarHBondContact O-CA 3.5Å; S297-F328 WeakPolarHBondContact O-CD2 3.33Å; S297-F328 PolarHBondContact O-N 3.34Å; S297-V334 WeakPolarHBondContact OG-CG2 3.03Å; S297-V335 VanDerWaalsContact OG-CG2 3.29Å; S297-V335 WeakPolarHBondContact OG-CG2 3.19Å; S297-V335 PolarHBondContact OG-N 3.33Å
298A96.5Very high95.2Very high6 Ų639.1 Ų39.15%0.0524%0.239CC..SBendtrans-65.9139.3-166.400000112.9D294 P295 L302 V304 Q327 V334D294-A298 PolarHBondContact O-N 3Å; P295-A298 WeakPolarHBondContact O-CB 3.45Å; P295-A298 PolarHBondContact O-N 3.11Å; A298-L302 HydrophobicContact CB-CB 4.3Å; A298-V304 HydrophobicContact CB-CG2 4.42Å; A298-Q327 VanDerWaalsContact O-CG 3.24Å; A298-Q327 WeakPolarHBondContact O-CG 3.3Å; A298-Q327 PolarHBondContact O-NE2 2.96Å; A298-V334 HydrophobicContact CB-CB 4.08Å; A298-V334 HydrophobicContact CB-CG2 3.68Å
299H96.3Very high95.3Very high21 Ų2140.6 Ų40.610%0.09724%0.241CC..  trans-56.4142.4169.9-178.3-92.5000111.4S301 L302 F328 D329 A331 A333H299-S301 PolarHBondContact CE1-OG 2.93Å; H299-S301 WeakPolarHBondContact ND1-CB 3.42Å; H299-S301 PolarHBondContact ND1-N 3.37Å; H299-S301 VanDerWaalsContact ND1-N 3.16Å; H299-S301 PolarHBondContact ND1-OG 2.99Å; H299-S301 PolarHBondContact O-N 3.47Å; H299-L302 HydrophobicContact CB-CD1 4.25Å; H299-L302 HydrophobicContact CB-CG 4.19Å; H299-L302 WeakPolarHBondContact O-CB 3.38Å; H299-L302 PolarHBondContact O-N 2.97Å; H299-F328 WeakPolarHBondContact CA-O 3.48Å; H299-F328 HydrophobicContact CB-CB 4.18Å; H299-F328 PolarHBondContact CD2-O 3.09Å; H299-D329 PolarHBondContact NE2-O 2.8Å; H299-A331 VanDerWaalsContact CB-O 3.25Å; H299-A331 WeakPolarHBondContact CB-O 3.33Å; H299-A331 PolarHBondContact CD2-O 2.91Å; H299-A331 VanDerWaalsContact CD2-O 3.24Å; H299-A333 PolarHBondContact N-O 3.34Å
300P94.8Very high95.5Very high27 Ų2741.9 Ų41.918%0.17524%0.243CC..THydrogen-bonded Turntrans-60.3-16.3-174.4-25.532.9000116.3L302 A318 P319 A321 F328P300-L302 VanDerWaalsContact C-N 3.31Å; P300-A318 HydrophobicContact CB-CB 4.13Å; P300-P319 HydrophobicContact CB-CG 4.12Å; P300-P319 WeakPolarHBondContact CB-O 3.44Å; P300-A321 VanDerWaalsContact CG-CA 3.46Å; P300-A321 HydrophobicContact CG-CB 3.8Å; P300-F328 WeakPolarHBondContact CD-O 3.33Å
301S94.7Very high95.7Very high2 Ų236.6 Ų36.61%0.01422%0.219CC..THydrogen-bonded Turntrans-83.8-4.9173.572.40000113.6H299 C313 S314H299-S301 PolarHBondContact CE1-OG 2.93Å; H299-S301 WeakPolarHBondContact ND1-CB 3.42Å; H299-S301 PolarHBondContact ND1-N 3.37Å; H299-S301 VanDerWaalsContact ND1-N 3.16Å; H299-S301 PolarHBondContact ND1-OG 2.99Å; H299-S301 PolarHBondContact O-N 3.47Å; S301-C313 CarbonylContact O-C 3.04Å; S301-C313 WeakPolarHBondContact O-CA 3.37Å; S301-S314 PolarHBondContact O-N 3.18Å
302L96.2Very high95.6Very high17 Ų1739 Ų399%0.08923%0.23CC..EExtended strand (participates in β ladder)trans-95.3139.4-178.3-62.6-175.8000110.5A298 H299 P300 V311 E312 C313 V332 A333 V334 V455A298-L302 HydrophobicContact CB-CB 4.3Å; H299-L302 HydrophobicContact CB-CD1 4.25Å; H299-L302 HydrophobicContact CB-CG 4.19Å; H299-L302 WeakPolarHBondContact O-CB 3.38Å; H299-L302 PolarHBondContact O-N 2.97Å; P300-L302 VanDerWaalsContact C-N 3.31Å; L302-V311 HydrophobicContact CB-CG2 4.04Å; L302-V311 HydrophobicContact CD1-CG2 4.2Å; L302-V311 HydrophobicContact CD2-CG2 4.42Å; L302-V311 HydrophobicContact CG-CG2 4.45Å; L302-E312 WeakPolarHBondContact CA-O 3.36Å; L302-C313 HydrophobicContact CD2-CB 4Å; L302-V332 HydrophobicContact CD2-CG1 3.61Å; L302-V332 HydrophobicContact CG-CG1 4.26Å; L302-A333 VanDerWaalsContact CD1-C 3.48Å; L302-A333 VanDerWaalsContact CD1-O 3.31Å; L302-A333 WeakPolarHBondContact CD1-O 3.25Å; L302-V334 HydrophobicContact CD1-CB 3.97Å; L302-V334 HydrophobicContact CD1-CG1 4.24Å; L302-V455 HydrophobicContact CD1-CG2 3.99Å; L302-V455 HydrophobicContact CD2-CB 3.75Å; L302-V455 HydrophobicContact CD2-CG1 4.08Å; L302-V455 HydrophobicContact CD2-CG2 3.75Å
303V95.3Very high95.5Very high71 Ų7137.4 Ų37.443%0.4322%0.22SC..EExtended strand (participates in β ladder)trans-115.4116.7173.6-177.60000107.2V311 E312V303-V311 WeakPolarHBondContact O-CA 3.27Å; V303-E312 HydrophobicContact CB-CG 4.38Å; V303-E312 PolarHBondContact N-O 3.49Å; V303-E312 PolarHBondContact O-N 3.37Å
304V96.5Very high95.1Very high28 Ų2838.9 Ų38.917%0.1723%0.231CC..EExtended strand (participates in β ladder)trans-95.5135.2174.3-176.50000108.4F293 P295 A298 R310 V311F293-V304 HydrophobicContact CB-CG1 3.84Å; F293-V304 HydrophobicContact CB-CG2 4.25Å; F293-V304 HydrophobicContact CD2-CG1 4.35Å; P295-V304 HydrophobicContact CG-CB 4.26Å; P295-V304 HydrophobicContact CG-CG1 4.21Å; A298-V304 HydrophobicContact CB-CG2 4.42Å; V304-R310 CarbonylContact C-O 3.32Å; V304-R310 WeakPolarHBondContact CA-O 3.48Å; V304-V311 HydrophobicContact CG2-CB 4.4Å; V304-V311 HydrophobicContact CG2-CG2 3.97Å
305S95.6Very high94.6Very high30 Ų3044.1 Ų44.121%0.2125%0.254CS..  trans-64.5160.9176.463.60000112.2S307 G308 R310S305-S307 PolarHBondContact O-N 2.9Å; S305-S307 PolarHBondContact OG-OG 2.87Å; S305-G308 PolarHBondContact O-N 3.36Å; S305-G308 PolarHBondContact OG-N 3.01Å; S305-R310 PolarHBondContact N-O 3.07Å; S305-R310 WeakPolarHBondContact OG-CB 3.46Å; S305-R310 PolarHBondContact OG-N 3.41Å; S305-R310 VanDerWaalsContact OG-N 3.13Å; S305-R310 PolarHBondContact OG-O 3.37Å
306S92.2Very high94Very high138 Ų13847.9 Ų47.997%0.96527%0.265SS*.THydrogen-bonded Turntrans-57.2-33.8172.750.70000113.1G308S306-G308 PolarHBondContact O-N 3.33Å
307S91.9Very high93.2Very high71 Ų7155.3 Ų55.350%0.49729%0.292SS..THydrogen-bonded Turntrans-70.8-12.5175.159.60000114.1S305 R309S305-S307 PolarHBondContact O-N 2.9Å; S305-S307 PolarHBondContact OG-OG 2.87Å; S307-R309 PolarHBondContact O-N 3.22Å
308G94.4Very high92.5Very high10 Ų1056.7 Ų56.710%0.10330%0.303CS..SBendtrans69.25.7-175.900000114.6T292 F293 S305 S306T292-G308 CarbonylContact C-O 3.55Å; T292-G308 WeakPolarHBondContact CA-O 3.43Å; F293-G308 VanDerWaalsContact CD2-O 3.23Å; F293-G308 WeakPolarHBondContact CD2-O 3.45Å; F293-G308 PolarHBondContact N-O 2.9Å; S305-G308 PolarHBondContact O-N 3.36Å; S305-G308 PolarHBondContact OG-N 3.01Å; S306-G308 PolarHBondContact O-N 3.33Å
309R95.3Very high92Very high80 Ų8060.6 Ų60.630%0.30233%0.328SS..SBendtrans-108.4-3.6-175.8-68.8-173.5-179175.4-0.5114.5F293 S307 L468 L469F293-R309 WeakPolarHBondContact CE2-O 3.43Å; S307-R309 PolarHBondContact O-N 3.22Å; R309-L468 CarbonylContact O-C 3.58Å; R309-L468 VanDerWaalsContact O-CA 3.3Å; R309-L468 WeakPolarHBondContact O-CA 3.31Å; R309-L469 HydrophobicContact CB-CB 4.36Å; R309-L469 HydrophobicContact CG-CB 4.46Å; R309-L469 PolarHBondContact O-N 3.19Å
310R97.1Very high91.4Very high83 Ų8365.4 Ų65.431%0.31336%0.361SS..EExtended strand (participates in β ladder)trans-126132.3176.8171.8174.1-173.3-71.8-1.9109.7V304 S305 E312 P466 L467 L468V304-R310 CarbonylContact C-O 3.32Å; V304-R310 WeakPolarHBondContact CA-O 3.48Å; S305-R310 PolarHBondContact N-O 3.07Å; S305-R310 WeakPolarHBondContact OG-CB 3.46Å; S305-R310 PolarHBondContact OG-N 3.41Å; S305-R310 VanDerWaalsContact OG-N 3.13Å; S305-R310 PolarHBondContact OG-O 3.37Å; R310-E312 IonicContact CZ-OE1 2.87Å; R310-E312 IonicContact CZ-OE2 2.79Å; R310-E312 IonicContact NH1-OE1 2.67Å; R310-E312 PolarHBondContact NH1-OE1 3.46Å; R310-E312 IonicContact NH1-OE2 3.6Å; R310-E312 PolarHBondContact NH1-OE2 2.79Å; R310-E312 VanDerWaalsContact NH2-CD 3.31Å; R310-E312 IonicContact NH2-OE1 3.2Å; R310-E312 PolarHBondContact NH2-OE1 2.93Å; R310-E312 IonicContact NH2-OE2 2.81Å; R310-E312 PolarHBondContact NH2-OE2 3.05Å; R310-P466 HydrophobicContact CG-CB 3.92Å; R310-L467 WeakPolarHBondContact CA-O 3.45Å; R310-L468 HydrophobicContact CB-CD2 3.49Å; R310-L468 VanDerWaalsContact CB-CD2 3.49Å; R310-L468 HydrophobicContact CG-CD2 3.42Å; R310-L468 VanDerWaalsContact CG-CD2 3.42Å
311V97.4Very high91.1Very high0 Ų065.6 Ų65.60%037%0.365CS..EExtended strand (participates in β ladder)trans-132.7137.3173.266.20000110.4F293 L302 V303 V304 V334 V455 P466 L467F293-V311 HydrophobicContact CD1-CG1 4.21Å; F293-V311 HydrophobicContact CD2-CB 3.86Å; F293-V311 HydrophobicContact CD2-CG1 4.01Å; F293-V311 HydrophobicContact CE1-CG1 3.77Å; F293-V311 HydrophobicContact CE2-CB 3.81Å; F293-V311 HydrophobicContact CE2-CG1 3.55Å; F293-V311 HydrophobicContact CG-CB 4.27Å; F293-V311 HydrophobicContact CG-CG1 4.33Å; F293-V311 HydrophobicContact CZ-CB 4.19Å; F293-V311 HydrophobicContact CZ-CG1 3.41Å; F293-V311 VanDerWaalsContact CZ-CG1 3.41Å; L302-V311 HydrophobicContact CB-CG2 4.04Å; L302-V311 HydrophobicContact CD1-CG2 4.2Å; L302-V311 HydrophobicContact CD2-CG2 4.42Å; L302-V311 HydrophobicContact CG-CG2 4.45Å; V303-V311 WeakPolarHBondContact O-CA 3.27Å; V304-V311 HydrophobicContact CG2-CB 4.4Å; V304-V311 HydrophobicContact CG2-CG2 3.97Å; V311-V334 HydrophobicContact CG1-CG1 4.28Å; V311-V334 HydrophobicContact CG2-CG1 4.2Å; V311-V455 HydrophobicContact CG1-CG2 3.85Å; V311-V455 HydrophobicContact CG2-CG2 4.12Å; V311-P466 CarbonylContact O-C 3.51Å; V311-P466 VanDerWaalsContact O-CA 3.23Å; V311-P466 WeakPolarHBondContact O-CA 3.27Å; V311-P466 WeakPolarHBondContact O-CB 3.47Å; V311-L467 HydrophobicContact CG1-CB 3.9Å; V311-L467 PolarHBondContact N-O 3.42Å; V311-L467 PolarHBondContact O-N 3.23Å
312E94.9Very high90.6Very high54 Ų5467.1 Ų67.125%0.25238%0.381SS..EExtended strand (participates in β ladder)trans-139.4158.717571.1-168.1150.900111.5L302 V303 R310 P466L302-E312 WeakPolarHBondContact CA-O 3.36Å; V303-E312 HydrophobicContact CB-CG 4.38Å; V303-E312 PolarHBondContact N-O 3.49Å; V303-E312 PolarHBondContact O-N 3.37Å; R310-E312 IonicContact CZ-OE1 2.87Å; R310-E312 IonicContact CZ-OE2 2.79Å; R310-E312 IonicContact NH1-OE1 2.67Å; R310-E312 PolarHBondContact NH1-OE1 3.46Å; R310-E312 IonicContact NH1-OE2 3.6Å; R310-E312 PolarHBondContact NH1-OE2 2.79Å; R310-E312 VanDerWaalsContact NH2-CD 3.31Å; R310-E312 IonicContact NH2-OE1 3.2Å; R310-E312 PolarHBondContact NH2-OE1 2.93Å; R310-E312 IonicContact NH2-OE2 2.81Å; R310-E312 PolarHBondContact NH2-OE2 3.05Å; E312-P466 HydrophobicContact CB-CB 4.08Å
313C94.8Very high90.2Very high3 Ų375.5 Ų75.52%0.0242%0.42CS..EExtended strand (participates in β ladder)trans-90.3121.3174.2-173.20000109.2S301 L302 V332 V455 H458S301-C313 CarbonylContact O-C 3.04Å; S301-C313 WeakPolarHBondContact O-CA 3.37Å; L302-C313 HydrophobicContact CD2-CB 4Å; C313-V332 HydrophobicContact CB-CG1 4.33Å; C313-V455 HydrophobicContact CB-CG1 4.13Å; C313-H458 HydrophobicContact CB-CB 4.2Å; C313-H458 PolarHBondContact O-CD2 3.43Å; C313-H458 PolarHBondContact SG-N 3.35Å
314S90.6Very high90Very high33 Ų3374.5 Ų74.523%0.23141%0.412CS..  trans-68.8143.7175.9-177.30000111.3S301 Q316S301-S314 PolarHBondContact O-N 3.18Å; S314-Q316 VanDerWaalsContact C-N 3.26Å; S314-Q316 PolarHBondContact OG-N 3.37Å; S314-Q316 VanDerWaalsContact OG-N 3.17Å
315E85.2Confident89.7Confident132 Ų13277.9 Ų77.962%0.61744%0.435SS*.SBendtrans-70.6-26.6170-169.2166.2-156.700112.4H458E315-H458 WeakPolarHBondContact CB-CE1 3.32Å; E315-H458 IonicContact OE2-CE1 3.16Å
316Q82.8Confident89.4Confident152 Ų15283.3 Ų83.371%0.7145%0.451SS*.SBendtrans-66.7147-175.6-63-176.8-100110.7S314 A318S314-Q316 VanDerWaalsContact C-N 3.26Å; S314-Q316 PolarHBondContact OG-N 3.37Å; S314-Q316 VanDerWaalsContact OG-N 3.17Å; Q316-A318 PolarHBondContact O-N 3.48Å
317K79.1Confident89.6Confident203 Ų20378.4 Ų78.488%0.88341%0.412SS*.  trans-61.3113.6176.1-171.9177.3-179.2-178.10108.9
318A81.1Confident89.8Confident29 Ų2975 Ų7524%0.2439%0.389CS..PPolyproline II helixtrans-61.3143.5-179.200000111.4P300 Q316P300-A318 HydrophobicContact CB-CB 4.13Å; Q316-A318 PolarHBondContact O-N 3.48Å
319P85.4Confident89.7Confident88 Ų8876.3 Ų76.357%0.57139%0.393SS*.PPolyproline II helixtrans-64.1163168.128.6-32.1000110.2P300P300-P319 HydrophobicContact CB-CG 4.12Å; P300-P319 WeakPolarHBondContact CB-O 3.44Å
320P85.2Confident89.6Confident123 Ų12379.3 Ų79.380%0.79941%0.408SS*.PPolyproline II helixtrans-55.1143.7171.4-20.131.5000110.7
321A86.9Confident89.4Confident30 Ų3076 Ų7625%0.24840%0.399CS..PPolyproline II helixtrans-60.4142.6171.200000110.3P300 D329P300-A321 VanDerWaalsContact CG-CA 3.46Å; P300-A321 HydrophobicContact CG-CB 3.8Å; A321-D329 HydrophobicContact CB-CB 3.61Å
322G85.2Confident89.4Confident34 Ų3476.9 Ų76.935%0.35140%0.404SS..  trans-68.8179.5175.300000112.2D324 R369G322-D324 VanDerWaalsContact C-N 3.32Å; G322-R369 PolarHBondContact O-NH1 3.02Å
323E88.3Confident89.5Confident194 Ų19474.3 Ų74.391%0.90739%0.392SS*.SBendtrans-84-5.4177.3-62.4-172163.100113.2P325E323-P325 WeakPolarHBondContact O-CD 3.26Å
324D90.3Very high89.6Confident50 Ų5074.1 Ų74.127%0.26739%0.391SS..  trans-62120.1178.4-168.5-29.4000109.8G322 R326 Q327 R369G322-D324 VanDerWaalsContact C-N 3.32Å; D324-R326 PolarHBondContact O-N 3.49Å; D324-R326 VanDerWaalsContact OD1-CB 3.29Å; D324-R326 WeakPolarHBondContact OD1-CB 3.42Å; D324-R326 PolarHBondContact OD1-N 3.39Å; D324-R326 IonicContact OD1-NE 2.88Å; D324-R326 PolarHBondContact OD1-NE 3.22Å; D324-R326 VanDerWaalsContact OD1-NE 3.16Å; D324-R326 IonicContact OD1-NH2 2.84Å; D324-R326 IonicContact OD2-CZ 2.95Å; D324-R326 IonicContact OD2-NE 2.73Å; D324-R326 PolarHBondContact OD2-NE 2.93Å; D324-R326 IonicContact OD2-NH2 3.07Å; D324-R326 PolarHBondContact OD2-NH2 3.4Å; D324-Q327 HydrophobicContact CB-CB 4.34Å; D324-Q327 WeakPolarHBondContact O-CB 3.33Å; D324-Q327 PolarHBondContact O-N 2.95Å; D324-Q327 VanDerWaalsContact O-N 3.1Å; D324-R369 PolarHBondContact O-NH1 3.48Å
325P89.2Confident90Very high99 Ų9972.8 Ų72.864%0.64338%0.381SS*.THydrogen-bonded Turntrans-65.1-18.1-179.926.6-35.6000113.4E323 Q327 R368E323-P325 WeakPolarHBondContact O-CD 3.26Å; P325-Q327 VanDerWaalsContact C-N 3.33Å; P325-R368 WeakPolarHBondContact O-CB 3.32Å
326R90.9Very high90.6Very high144 Ų14466.5 Ų66.554%0.54335%0.352SS..THydrogen-bonded Turntrans-78.7-19.8176.3-61.2173.9-66.9174.15.1112.6S297 D324S297-R326 WeakPolarHBondContact CA-O 3.28Å; D324-R326 PolarHBondContact O-N 3.49Å; D324-R326 VanDerWaalsContact OD1-CB 3.29Å; D324-R326 WeakPolarHBondContact OD1-CB 3.42Å; D324-R326 PolarHBondContact OD1-N 3.39Å; D324-R326 IonicContact OD1-NE 2.88Å; D324-R326 PolarHBondContact OD1-NE 3.22Å; D324-R326 VanDerWaalsContact OD1-NE 3.16Å; D324-R326 IonicContact OD1-NH2 2.84Å; D324-R326 IonicContact OD2-CZ 2.95Å; D324-R326 IonicContact OD2-NE 2.73Å; D324-R326 PolarHBondContact OD2-NE 2.93Å; D324-R326 IonicContact OD2-NH2 3.07Å; D324-R326 PolarHBondContact OD2-NH2 3.4Å
327Q95.3Very high91.2Very high35 Ų3564.1 Ų64.116%0.16434%0.341CS..SBendtrans-80.3133.6-178.8-166.817845.600111.8S297 A298 D324 P325 R369S297-Q327 WeakPolarHBondContact O-CA 3.5Å; A298-Q327 VanDerWaalsContact O-CG 3.24Å; A298-Q327 WeakPolarHBondContact O-CG 3.3Å; A298-Q327 PolarHBondContact O-NE2 2.96Å; D324-Q327 HydrophobicContact CB-CB 4.34Å; D324-Q327 WeakPolarHBondContact O-CB 3.33Å; D324-Q327 PolarHBondContact O-N 2.95Å; D324-Q327 VanDerWaalsContact O-N 3.1Å; P325-Q327 VanDerWaalsContact C-N 3.33Å; Q327-R369 WeakPolarHBondContact O-CD 3.38Å
328F96.3Very high92Very high0 Ų057.1 Ų57.10%031%0.311CS..  trans-72130.9170.6-65.6-77.9000111.7S297 H299 P300 A331 A333 V335 I362 R368 L372 F452S297-F328 WeakPolarHBondContact O-CD2 3.33Å; S297-F328 PolarHBondContact O-N 3.34Å; H299-F328 WeakPolarHBondContact CA-O 3.48Å; H299-F328 HydrophobicContact CB-CB 4.18Å; H299-F328 PolarHBondContact CD2-O 3.09Å; P300-F328 WeakPolarHBondContact CD-O 3.33Å; F328-A331 WeakPolarHBondContact CB-O 3.36Å; F328-A331 HydrophobicContact CD1-CB 4.21Å; F328-A333 HydrophobicContact CD2-CB 4.2Å; F328-A333 VanDerWaalsContact CD2-O 3.25Å; F328-A333 WeakPolarHBondContact CD2-O 3.45Å; F328-A333 HydrophobicContact CE2-CB 4.3Å; F328-A333 HydrophobicContact CG-CB 4.33Å; F328-A333 HydrophobicContact CZ-CB 4.5Å; F328-V335 HydrophobicContact CE2-CG1 4.04Å; F328-V335 HydrophobicContact CZ-CG1 4.06Å; F328-I362 HydrophobicContact CE1-CD1 4.38Å; F328-I362 HydrophobicContact CZ-CD1 4.39Å; F328-R368 WeakPolarHBondContact CA-O 3.36Å; F328-R368 HydrophobicContact CD1-CB 4.16Å; F328-R368 WeakPolarHBondContact CD1-O 3.35Å; F328-R368 HydrophobicContact CE1-CB 4.19Å; F328-R368 HydrophobicContact CE1-CG 4.3Å; F328-L372 HydrophobicContact CD1-CD1 3.99Å; F328-L372 HydrophobicContact CE1-CD1 3.73Å; F328-F452 AromaticContact CE1-CE2 3.83Å; F328-F452 HydrophobicContact CE1-CE2 3.83Å; F328-F452 HydrophobicContact CE2-CE2 4.31Å; F328-F452 AromaticContact CZ-CD2 3.92Å; F328-F452 HydrophobicContact CZ-CD2 3.92Å; F328-F452 AromaticContact CZ-CE2 3.53Å; F328-F452 HydrophobicContact CZ-CE2 3.53Å
329D93.4Very high92.8Very high37 Ų3760 Ų6020%0.19832%0.32CS..SBendtrans-105.7-29.1-176.765.2-10000114.9H299 A321 R369 G370H299-D329 PolarHBondContact NE2-O 2.8Å; A321-D329 HydrophobicContact CB-CB 3.61Å; D329-R369 VanDerWaalsContact OD1-CA 3.3Å; D329-R369 WeakPolarHBondContact OD1-CA 3.43Å; D329-R369 IonicContact OD1-NE 3.48Å; D329-R369 IonicContact OD2-CZ 3.19Å; D329-R369 IonicContact OD2-NE 3.94Å; D329-R369 PolarHBondContact OD2-NE 2.97Å; D329-R369 IonicContact OD2-NH2 2.7Å; D329-R369 PolarHBondContact OD2-NH2 2.94Å; D329-G370 PolarHBondContact OD1-N 3.49Å; D329-G370 PolarHBondContact OD2-N 3.12Å
330K92.2Very high93.4Very high143 Ų14356 Ų5662%0.62229%0.294SS*.SBendtrans-122.7-33.5178.8-62.7-167.9-176.9179.10113.8
331A94.1Very high93.9Very high14 Ų1453.3 Ų53.312%0.11628%0.277CS..SBendtrans-76.3131.417500000109.1H299 F328 A333 L372H299-A331 VanDerWaalsContact CB-O 3.25Å; H299-A331 WeakPolarHBondContact CB-O 3.33Å; H299-A331 PolarHBondContact CD2-O 2.91Å; H299-A331 VanDerWaalsContact CD2-O 3.24Å; F328-A331 WeakPolarHBondContact CB-O 3.36Å; F328-A331 HydrophobicContact CD1-CB 4.21Å; A331-A333 HydrophobicContact CB-CB 4.2Å; A331-A333 PolarHBondContact O-N 3.26Å; A331-L372 HydrophobicContact CB-CD1 3.6Å; A331-L372 HydrophobicContact CB-CG 3.97Å
332V95.4Very high94.2Very high17 Ų1759 Ų5910%0.10330%0.299CS..  trans-82.259.1179.5-1740000109L302 C313 V455 C456 W457L302-V332 HydrophobicContact CD2-CG1 3.61Å; L302-V332 HydrophobicContact CG-CG1 4.26Å; C313-V332 HydrophobicContact CB-CG1 4.33Å; V332-V455 PolarHBondContact O-N 3.12Å; V332-C456 WeakPolarHBondContact CG1-O 3.46Å; V332-W457 HydrophobicContact CG2-CE3 4.15Å
333A97.5Very high94.6Very high0 Ų059.4 Ų59.40%030%0.303CS..EExtended strand (participates in β ladder)trans-128.4164.5-167.800000112.7H299 L302 F328 A331 F452 F453 D454H299-A333 PolarHBondContact N-O 3.34Å; L302-A333 VanDerWaalsContact CD1-C 3.48Å; L302-A333 VanDerWaalsContact CD1-O 3.31Å; L302-A333 WeakPolarHBondContact CD1-O 3.25Å; F328-A333 HydrophobicContact CD2-CB 4.2Å; F328-A333 VanDerWaalsContact CD2-O 3.25Å; F328-A333 WeakPolarHBondContact CD2-O 3.45Å; F328-A333 HydrophobicContact CE2-CB 4.3Å; F328-A333 HydrophobicContact CG-CB 4.33Å; F328-A333 HydrophobicContact CZ-CB 4.5Å; A331-A333 HydrophobicContact CB-CB 4.2Å; A331-A333 PolarHBondContact O-N 3.26Å; A333-F452 HydrophobicContact CB-CE1 4.33Å; A333-F452 HydrophobicContact CB-CE2 3.64Å; A333-F452 HydrophobicContact CB-CZ 3.47Å; A333-F452 VanDerWaalsContact CB-CZ 3.47Å; A333-F453 CarbonylContact C-O 3.38Å; A333-F453 WeakPolarHBondContact CA-O 3.3Å; A333-F453 WeakPolarHBondContact CB-O 3.37Å; A333-D454 HydrophobicContact CB-CB 4.36Å
334V98.2Very high95Very high0 Ų054.5 Ų54.50%028%0.28CS..EExtended strand (participates in β ladder)trans-146.5154.2175.464.20000108.4F293 D294 S297 A298 L302 V311 F453F293-V334 HydrophobicContact CB-CG2 4.22Å; F293-V334 HydrophobicContact CD1-CG1 3.72Å; F293-V334 HydrophobicContact CE1-CG1 4.23Å; F293-V334 HydrophobicContact CG-CG1 4.37Å; D294-V334 VanDerWaalsContact O-CG2 3.31Å; D294-V334 WeakPolarHBondContact O-CG2 3.48Å; S297-V334 WeakPolarHBondContact OG-CG2 3.03Å; A298-V334 HydrophobicContact CB-CB 4.08Å; A298-V334 HydrophobicContact CB-CG2 3.68Å; L302-V334 HydrophobicContact CD1-CB 3.97Å; L302-V334 HydrophobicContact CD1-CG1 4.24Å; V311-V334 HydrophobicContact CG1-CG1 4.28Å; V311-V334 HydrophobicContact CG2-CG1 4.2Å; V334-F453 HydrophobicContact CG1-CB 4.03Å; V334-F453 HydrophobicContact CG1-CD2 4.39Å; V334-F453 PolarHBondContact N-O 3.28Å; V334-F453 WeakPolarHBondContact O-CD2 3.45Å; V334-F453 PolarHBondContact O-N 3.43Å
335V98.3Very high95.3Very high5 Ų553.2 Ų53.23%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-108.7165.6169.6-68.20000111.4D294 S297 F328 I362 Y450 P451 F452D294-V335 PolarHBondContact N-O 2.72Å; S297-V335 VanDerWaalsContact OG-CG2 3.29Å; S297-V335 WeakPolarHBondContact OG-CG2 3.19Å; S297-V335 PolarHBondContact OG-N 3.33Å; F328-V335 HydrophobicContact CE2-CG1 4.04Å; F328-V335 HydrophobicContact CZ-CG1 4.06Å; V335-I362 HydrophobicContact CG1-CG2 3.59Å; V335-Y450 HydrophobicContact CB-CG 4.41Å; V335-Y450 HydrophobicContact CG2-CG 4.49Å; V335-P451 CarbonylContact C-O 3.53Å; V335-P451 VanDerWaalsContact CA-O 3.24Å; V335-P451 WeakPolarHBondContact CA-O 3.38Å; V335-P451 WeakPolarHBondContact CB-O 3.47Å; V335-F452 HydrophobicContact CG1-CD2 4.06Å
336A97.8Very high95.7Very high0 Ų048.9 Ų48.90%024%0.243CC..BIsolated β-bridgetrans-72.9156166.800000111.2L291 T292 Q338 Y450 P451 F453L291-A336 HydrophobicContact CD2-CB 4.34Å; T292-A336 CarbonylContact O-C 3.44Å; T292-A336 VanDerWaalsContact O-CA 3.29Å; T292-A336 WeakPolarHBondContact O-CA 3.29Å; A336-Q338 VanDerWaalsContact C-N 3.25Å; A336-Q338 PolarHBondContact O-N 3.47Å; A336-Y450 WeakPolarHBondContact O-CD1 3.38Å; A336-P451 HydrophobicContact CB-CB 3.88Å; A336-P451 HydrophobicContact CB-CG 3.98Å; A336-P451 PolarHBondContact N-O 3.16Å; A336-F453 HydrophobicContact CB-CE2 4.05Å
337H96.1Very high96Very high101 Ų10142.1 Ų42.147%0.46822%0.218SC..SBendtrans-62.6-35.8169.5-92.6103.2000112T292 F293 D294 Q339T292-H337 PolarHBondContact O-N 3.11Å; F293-H337 PolarHBondContact O-ND1 2.95Å; D294-H337 WeakPolarHBondContact CA-ND1 3.23Å; D294-H337 IonicContact OD1-CE1 3.95Å; D294-H337 IonicContact OD1-NE2 3.34Å; H337-Q339 PolarHBondContact O-N 3.39Å
338Q95.8Very high96.1Very high56 Ų5640.5 Ų40.526%0.26221%0.21SC..  trans-76.1121.7-174.8-63.572.420.800110.2L291 T292 A336 Y450 P451L291-Q338 HydrophobicContact CD2-CB 3.75Å; L291-Q338 HydrophobicContact CD2-CG 3.97Å; T292-Q338 PolarHBondContact O-OE1 3.25Å; T292-Q338 PolarHBondContact OG1-NE2 2.75Å; A336-Q338 VanDerWaalsContact C-N 3.25Å; A336-Q338 PolarHBondContact O-N 3.47Å; Q338-Y450 WeakPolarHBondContact O-CD1 3.36Å; Q338-P451 WeakPolarHBondContact O-CD 3.36Å
339Q97Very high96.2Very high91 Ų9140.5 Ų40.543%0.42521%0.21SC..  trans-88.5131.3168.5-171.9178.776.900109.1H337 P448 Y450H337-Q339 PolarHBondContact O-N 3.39Å; Q339-P448 HydrophobicContact CG-CB 3.83Å; Q339-Y450 HydrophobicContact CB-CD1 4.11Å; Q339-Y450 HydrophobicContact CB-CE1 3.5Å; Q339-Y450 HydrophobicContact CG-CE1 4.05Å; Q339-Y450 HydrophobicContact CG-CE2 4.31Å; Q339-Y450 PolarHBondContact NE2-OH 2.92Å; Q339-Y450 VanDerWaalsContact NE2-OH 3.12Å
340L97.3Very high96.4Very high4 Ų440.8 Ų40.82%0.02121%0.211CC..BIsolated β-bridgetrans-105.1134.6177.8-49.3-178.6000109H345 W347 L417 F419 P448 V449 P451L340-H345 HydrophobicContact CD1-CB 4.08Å; L340-W347 HydrophobicContact CD1-CE3 4.42Å; L340-W347 HydrophobicContact CD1-CH2 4.11Å; L340-W347 HydrophobicContact CD1-CZ3 3.75Å; L340-L417 HydrophobicContact CD1-CD2 4.23Å; L340-F419 HydrophobicContact CB-CE2 4.03Å; L340-F419 HydrophobicContact CB-CZ 4.16Å; L340-F419 WeakPolarHBondContact O-CZ 3.33Å; L340-P448 CarbonylContact O-C 3.54Å; L340-P448 VanDerWaalsContact O-CA 3.25Å; L340-P448 WeakPolarHBondContact O-CA 3.43Å; L340-V449 HydrophobicContact CB-CG2 4.31Å; L340-V449 PolarHBondContact N-O 2.91Å; L340-V449 PolarHBondContact O-N 2.88Å; L340-P451 HydrophobicContact CD1-CG 3.92Å; L340-P451 HydrophobicContact CG-CG 4.35Å
341S95.9Very high96.6Very high65 Ų6534 Ų3446%0.45518%0.181SC..  trans-139.1-17.3-173.865.20000116
342Q94.7Very high96.7Very high149 Ų14934.4 Ų34.470%0.69619%0.187SC*.SBendtrans-162.8159.7-177.863.8-178.3300111.3H345Q342-H345 PolarHBondContact O-NE2 3.02Å
343G93.7Very high96.6Very high43 Ų4338.4 Ų38.444%0.44321%0.207SC..SBendtrans84.2-155.1176.800000113.4F419G343-F419 PolarHBondContact O-N 3.09Å
344E95.2Very high96.4Very high91 Ų9138.4 Ų38.443%0.42521%0.207SC..EExtended strand (participates in β ladder)trans-118.9134.6-178.6-60.9176.9139.800109.2P286 Y416 L417P286-E344 HydrophobicContact CG-CB 3.75Å; E344-Y416 HydrophobicContact CB-CE2 4.14Å; E344-Y416 WeakPolarHBondContact CG-OH 3.29Å; E344-Y416 PolarHBondContact OE1-OH 2.98Å; E344-L417 CarbonylContact C-O 3.59Å; E344-L417 VanDerWaalsContact CA-O 3.27Å; E344-L417 WeakPolarHBondContact CA-O 3.48Å
345H97Very high96.2Very high23 Ų2339.7 Ų39.711%0.10622%0.216CC..EExtended strand (participates in β ladder)trans-134142.4-176.6-61.3-80.1000110.6E289 L340 Q342 W347 Y416 L417 F419E289-H345 IonicContact OE1-ND1 2.75Å; E289-H345 IonicContact OE2-CE1 2.74Å; E289-H345 IonicContact OE2-CG 3.84Å; E289-H345 IonicContact OE2-ND1 3.57Å; E289-H345 PolarHBondContact OE2-ND1 3.44Å; L340-H345 HydrophobicContact CD1-CB 4.08Å; Q342-H345 PolarHBondContact O-NE2 3.02Å; H345-W347 HydrophobicContact CB-CE3 4.35Å; H345-W347 HydrophobicContact CB-CZ3 4.07Å; H345-Y416 CarbonylContact O-C 3.53Å; H345-Y416 WeakPolarHBondContact O-CA 3.36Å; H345-L417 HydrophobicContact CB-CB 4.47Å; H345-L417 PolarHBondContact N-O 3.01Å; H345-L417 PolarHBondContact O-N 2.85Å; H345-F419 AromaticContact CD2-CE2 3.88Å
346Y97.3Very high96.1Very high8 Ų842 Ų423%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-138.2127.9176.7-179-105.9000111.1M285 L288 E289 E348 L415 L435M285-Y346 HydrophobicContact CB-CD1 4.26Å; M285-Y346 HydrophobicContact CB-CD2 4.44Å; M285-Y346 HydrophobicContact CB-CG 4.16Å; M285-Y346 HydrophobicContact CE-CD2 4.41Å; M285-Y346 HydrophobicContact CE-CE2 4.27Å; M285-Y346 HydrophobicContact CG-CD2 4.2Å; M285-Y346 HydrophobicContact CG-CE2 4.28Å; M285-Y346 HydrophobicContact CG-CG 4.41Å; M285-Y346 HydrophobicContact SD-CD2 4.12Å; M285-Y346 HydrophobicContact SD-CE2 4.45Å; L288-Y346 CarbonylContact C-O 3.56Å; L288-Y346 WeakPolarHBondContact CA-O 3.36Å; L288-Y346 HydrophobicContact CD1-CD1 3.81Å; L288-Y346 HydrophobicContact CD1-CE1 3.82Å; E289-Y346 WeakPolarHBondContact CB-O 3.23Å; E289-Y346 PolarHBondContact N-O 3.49Å; Y346-E348 HydrophobicContact CE1-CG 3.83Å; Y346-E348 WeakPolarHBondContact CE1-OE1 3.36Å; Y346-E348 VanDerWaalsContact OH-CG 3.29Å; Y346-E348 WeakPolarHBondContact OH-CG 3.36Å; Y346-E348 PolarHBondContact OH-OE1 2.9Å; Y346-L415 VanDerWaalsContact CA-O 3.3Å; Y346-L415 WeakPolarHBondContact CA-O 3.37Å; Y346-L415 WeakPolarHBondContact CD2-O 3.37Å; Y346-L435 HydrophobicContact CE2-CD1 4.24Å; Y346-L435 WeakPolarHBondContact OH-CD2 3.39Å
347W97.7Very high96Very high2 Ų242.1 Ų42.11%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-142159.2175.266.797.6000111.8E289 L291 L340 H345 V361 G414 L415 L417 P451E289-W347 HydrophobicContact CB-CB 4.21Å; L291-W347 HydrophobicContact CD1-CB 3.63Å; L291-W347 HydrophobicContact CD1-CD2 3.84Å; L291-W347 HydrophobicContact CD1-CG 3.38Å; L291-W347 HydrophobicContact CG-CB 4.28Å; L291-W347 HydrophobicContact CG-CG 4.5Å; L340-W347 HydrophobicContact CD1-CE3 4.42Å; L340-W347 HydrophobicContact CD1-CH2 4.11Å; L340-W347 HydrophobicContact CD1-CZ3 3.75Å; H345-W347 HydrophobicContact CB-CE3 4.35Å; H345-W347 HydrophobicContact CB-CZ3 4.07Å; W347-V361 HydrophobicContact CH2-CG1 3.7Å; W347-V361 HydrophobicContact CZ2-CG1 3.87Å; W347-G414 WeakPolarHBondContact O-CA 3.28Å; W347-L415 HydrophobicContact CD2-CB 3.97Å; W347-L415 HydrophobicContact CE3-CB 4.42Å; W347-L415 HydrophobicContact CG-CB 4.48Å; W347-L415 HydrophobicContact CH2-CB 4.14Å; W347-L415 HydrophobicContact CZ2-CB 3.67Å; W347-L415 HydrophobicContact CZ2-CD2 3.7Å; W347-L415 HydrophobicContact CZ2-CG 4.24Å; W347-L415 HydrophobicContact CZ3-CB 4.5Å; W347-L415 PolarHBondContact N-O 2.98Å; W347-L415 PolarHBondContact O-N 3.35Å; W347-L417 HydrophobicContact CH2-CB 4.31Å; W347-L417 HydrophobicContact CZ3-CB 4.12Å; W347-P451 HydrophobicContact CH2-CG 4.47Å; W347-P451 HydrophobicContact CZ2-CB 4.03Å; W347-P451 HydrophobicContact CZ2-CG 4.19Å
348E97.7Very high96.1Very high1 Ų137.7 Ų37.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-125.3141.8-178.4-70.9179.6-175.900111.3R282 L288 Y346 R412 I413 A429 V470R282-E348 IonicContact CZ-OE1 2.96Å; R282-E348 IonicContact NH1-OE1 3.51Å; R282-E348 PolarHBondContact NH1-OE1 3.42Å; R282-E348 IonicContact NH2-OE1 3.67Å; R282-E348 PolarHBondContact NH2-OE1 3.24Å; R282-E348 IonicContact NH2-OE2 2.69Å; R282-E348 PolarHBondContact NH2-OE2 2.95Å; L288-E348 HydrophobicContact CD1-CB 4.11Å; L288-E348 HydrophobicContact CD1-CG 3.9Å; Y346-E348 HydrophobicContact CE1-CG 3.83Å; Y346-E348 WeakPolarHBondContact CE1-OE1 3.36Å; Y346-E348 VanDerWaalsContact OH-CG 3.29Å; Y346-E348 WeakPolarHBondContact OH-CG 3.36Å; Y346-E348 PolarHBondContact OH-OE1 2.9Å; E348-R412 HydrophobicContact CB-CG 4.19Å; E348-R412 WeakPolarHBondContact OE2-CD 3.4Å; E348-R412 IonicContact OE2-CZ 3.46Å; E348-R412 IonicContact OE2-NE 3.68Å; E348-R412 IonicContact OE2-NH1 2.94Å; E348-R412 PolarHBondContact OE2-NH1 2.99Å; E348-I413 WeakPolarHBondContact CA-O 3.18Å; E348-A429 HydrophobicContact CG-CB 4.26Å; E348-V470 HydrophobicContact CB-CB 3.91Å; E348-V470 HydrophobicContact CB-CG2 3.79Å; E348-V470 PolarHBondContact O-N 3.05Å
349V98.2Very high96.2Very high0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-123.2119.5177.1-168.60000108.9V351 L359 R412 I413 L415 F453 L467 L468 L469V349-V351 HydrophobicContact CG1-CG1 4.4Å; V349-V351 PolarHBondContact O-N 3.44Å; V349-L359 HydrophobicContact CB-CD1 3.9Å; V349-L359 HydrophobicContact CG1-CD1 4.15Å; V349-L359 HydrophobicContact CG1-CD2 4.12Å; V349-L359 HydrophobicContact CG2-CD1 4.17Å; V349-L359 HydrophobicContact CG2-CD2 4.37Å; V349-R412 WeakPolarHBondContact O-CA 3.42Å; V349-I413 PolarHBondContact N-O 2.84Å; V349-I413 PolarHBondContact O-N 3.31Å; V349-L415 HydrophobicContact CG2-CD1 4.07Å; V349-F453 HydrophobicContact CG2-CD1 4.18Å; V349-F453 HydrophobicContact CG2-CE1 3.68Å; V349-L467 HydrophobicContact CG1-CB 4.2Å; V349-L467 HydrophobicContact CG1-CD2 4.45Å; V349-L468 CarbonylContact C-O 3.51Å; V349-L468 WeakPolarHBondContact CA-O 3.41Å; V349-L469 HydrophobicContact CG2-CD2 4.21Å
350E97.9Very high96.3Very high44 Ų4430.7 Ų30.721%0.20617%0.173CC..EExtended strand (participates in β ladder)trans-75.6120168.3-161.274.9-144.100108.4T411 R412 L468E350-T411 VanDerWaalsContact OE1-O 3.11Å; E350-R412 IonicContact OE2-CZ 3.54Å; E350-R412 VanDerWaalsContact OE2-CZ 3.28Å; E350-R412 IonicContact OE2-NE 4Å; E350-R412 PolarHBondContact OE2-NE 3.12Å; E350-R412 IonicContact OE2-NH2 3.66Å; E350-R412 PolarHBondContact OE2-NH2 3.29Å; E350-L468 HydrophobicContact CB-CB 3.95Å; E350-L468 HydrophobicContact CB-CD1 4.32Å; E350-L468 HydrophobicContact CB-CG 4.43Å; E350-L468 HydrophobicContact CG-CD1 4.48Å; E350-L468 PolarHBondContact N-O 3.16Å; E350-L468 PolarHBondContact O-N 3.17Å
351V96.8Very high96.3Very high1 Ų130.5 Ų30.51%0.00617%0.172CC..  trans-107.2-16.3177.8-59.20000112.1V349 D353 K354 W357 L359 P410 T411 I413 L467V349-V351 HydrophobicContact CG1-CG1 4.4Å; V349-V351 PolarHBondContact O-N 3.44Å; V351-D353 PolarHBondContact O-N 3.21Å; V351-K354 WeakPolarHBondContact O-CB 3.45Å; V351-K354 PolarHBondContact O-N 2.64Å; V351-K354 VanDerWaalsContact O-N 3.08Å; V351-W357 HydrophobicContact CB-CZ2 4.44Å; V351-W357 HydrophobicContact CG1-CD2 4.07Å; V351-W357 HydrophobicContact CG1-CG 4.3Å; V351-W357 HydrophobicContact CG1-CZ2 4.22Å; V351-W357 HydrophobicContact CG2-CZ2 4.02Å; V351-L359 HydrophobicContact CG1-CD1 3.83Å; V351-P410 WeakPolarHBondContact CG2-O 3.15Å; V351-T411 VanDerWaalsContact CG2-O 3.25Å; V351-T411 WeakPolarHBondContact CG2-O 3.41Å; V351-T411 PolarHBondContact N-O 3.22Å; V351-I413 HydrophobicContact CG1-CG1 4.15Å; V351-I413 HydrophobicContact CG2-CG1 4.33Å; V351-L467 HydrophobicContact CB-CD2 4.27Å; V351-L467 HydrophobicContact CG1-CD2 3.87Å
352G94.1Very high96.4Very high22 Ų2227.4 Ų27.423%0.22715%0.15CC..THydrogen-bonded Turntrans51.7-133.4179.300000113.1T411G352-T411 PolarHBondContact N-O 3.03Å
353D93.3Very high96.5Very high101 Ų10121.1 Ų21.154%0.5412%0.123SC..THydrogen-bonded Turntrans-90.810.7176.767.2-47.5000113.8V351 P355 R409 Q465V351-D353 PolarHBondContact O-N 3.21Å; D353-P355 WeakPolarHBondContact O-CD 3.24Å; D353-R409 VanDerWaalsContact O-CZ 3.25Å; D353-R409 PolarHBondContact O-NH1 3.02Å; D353-R409 PolarHBondContact O-NH2 3.32Å; D353-Q465 VanDerWaalsContact OD1-CG 3.3Å; D353-Q465 WeakPolarHBondContact OD1-CG 3.36Å; D353-Q465 PolarHBondContact OD2-NE2 3.33Å
354K94.6Very high96.7Very high0 Ų019.9 Ų19.90%011%0.109CC..  trans-61.8106.6-177.5-171.3178.5-179.863.50114.8V351 R356 W357 R409 V455 N463 Q465 L467V351-K354 WeakPolarHBondContact O-CB 3.45Å; V351-K354 PolarHBondContact O-N 2.64Å; V351-K354 VanDerWaalsContact O-N 3.08Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 VanDerWaalsContact CE-O 3.31Å; K354-R356 WeakPolarHBondContact CE-O 3.47Å; K354-R356 PolarHBondContact O-N 2.94Å; K354-W357 HydrophobicContact CD-CB 4.43Å; K354-W357 PolarHBondContact O-NE1 2.69Å; K354-R409 VanDerWaalsContact N-NH2 3.19Å; K354-R409 PolarHBondContact O-NH2 2.93Å; K354-V455 WeakPolarHBondContact CE-O 3.5Å; K354-V455 PolarHBondContact NZ-O 3.16Å; K354-N463 VanDerWaalsContact CG-OD1 3.25Å; K354-N463 WeakPolarHBondContact CG-OD1 3.44Å; K354-N463 PolarHBondContact NZ-ND2 3.14Å; K354-N463 PolarHBondContact NZ-O 3.3Å; K354-Q465 HydrophobicContact CB-CB 3.66Å; K354-Q465 HydrophobicContact CB-CG 4.39Å; K354-Q465 HydrophobicContact CD-CB 4.49Å; K354-Q465 VanDerWaalsContact CD-O 3.31Å; K354-Q465 WeakPolarHBondContact CD-O 3.39Å; K354-Q465 WeakPolarHBondContact CE-O 3.32Å; K354-Q465 HydrophobicContact CG-CB 3.98Å; K354-Q465 PolarHBondContact NZ-O 3.25Å; K354-L467 HydrophobicContact CD-CD2 3.66Å; K354-L467 HydrophobicContact CD-CG 4.19Å
355P93.5Very high96.5Very high27 Ų2724.1 Ų24.118%0.17513%0.129CC..SBendtrans-70.1-18.3-164.126.2-34.8000115.3D353 E387 G388 K462 N463D353-P355 WeakPolarHBondContact O-CD 3.24Å; P355-E387 PolarHBondContact O-N 3.49Å; P355-G388 WeakPolarHBondContact O-CA 3.29Å; P355-G388 PolarHBondContact O-N 3.37Å; P355-K462 WeakPolarHBondContact CG-O 3.39Å; P355-N463 WeakPolarHBondContact CD-OD1 3.49Å; P355-N463 HydrophobicContact CG-CB 4.3Å; P355-N463 WeakPolarHBondContact CG-OD1 3.46Å
356R95.6Very high96.3Very high52 Ų5223.6 Ų23.620%0.19613%0.129CC..  trans-138.3129.8176.8-67.4-179.7-65.2-140.7-1.6112.4K354 L385 E387 C456 D459 N463K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 VanDerWaalsContact CE-O 3.31Å; K354-R356 WeakPolarHBondContact CE-O 3.47Å; K354-R356 PolarHBondContact O-N 2.94Å; R356-L385 VanDerWaalsContact CA-O 3.3Å; R356-L385 WeakPolarHBondContact CA-O 3.4Å; R356-E387 IonicContact CZ-OE1 3.43Å; R356-E387 IonicContact NH1-OE1 2.89Å; R356-E387 PolarHBondContact NH1-OE1 3.11Å; R356-C456 HydrophobicContact CB-CB 3.9Å; R356-D459 IonicContact CZ-OD2 3.46Å; R356-D459 IonicContact NH1-OD2 3.28Å; R356-D459 VanDerWaalsContact NH2-CG 3.25Å; R356-D459 IonicContact NH2-OD2 2.93Å; R356-D459 PolarHBondContact NH2-OD2 2.89Å; R356-N463 PolarHBondContact N-OD1 3.42Å; R356-N463 PolarHBondContact O-ND2 3.43Å; R356-N463 VanDerWaalsContact O-ND2 3.08Å; R356-N463 PolarHBondContact O-OD1 3.28Å; R356-N463 VanDerWaalsContact O-OD1 3.12Å
357W96.8Very high96.1Very high4 Ų425.7 Ų25.72%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-164159.6175.547.1-100.5000109.6V351 K354 L359 L383 G384 L385 L391 I413 D454 L467V351-W357 HydrophobicContact CB-CZ2 4.44Å; V351-W357 HydrophobicContact CG1-CD2 4.07Å; V351-W357 HydrophobicContact CG1-CG 4.3Å; V351-W357 HydrophobicContact CG1-CZ2 4.22Å; V351-W357 HydrophobicContact CG2-CZ2 4.02Å; K354-W357 HydrophobicContact CD-CB 4.43Å; K354-W357 PolarHBondContact O-NE1 2.69Å; W357-L359 HydrophobicContact CE3-CB 4.44Å; W357-L359 HydrophobicContact CE3-CD1 3.92Å; W357-L359 HydrophobicContact CE3-CG 3.71Å; W357-L359 HydrophobicContact CZ3-CB 4.47Å; W357-L359 HydrophobicContact CZ3-CD1 3.95Å; W357-L359 HydrophobicContact CZ3-CG 4.05Å; W357-L383 WeakPolarHBondContact CZ3-O 3.4Å; W357-G384 CarbonylContact O-C 3.57Å; W357-G384 WeakPolarHBondContact O-CA 3.05Å; W357-L385 HydrophobicContact CD2-CB 3.84Å; W357-L385 HydrophobicContact CE3-CB 4.35Å; W357-L385 HydrophobicContact CG-CB 4.36Å; W357-L385 HydrophobicContact CH2-CB 4.1Å; W357-L385 HydrophobicContact CZ2-CB 3.56Å; W357-L385 HydrophobicContact CZ2-CD2 4.1Å; W357-L385 HydrophobicContact CZ2-CG 4.39Å; W357-L385 HydrophobicContact CZ3-CB 4.47Å; W357-L385 PolarHBondContact N-O 3.35Å; W357-L385 PolarHBondContact O-N 3.39Å; W357-L391 HydrophobicContact CH2-CD1 3.9Å; W357-I413 HydrophobicContact CH2-CD1 3.64Å; W357-I413 HydrophobicContact CH2-CG1 3.53Å; W357-I413 HydrophobicContact CZ2-CD1 4.07Å; W357-I413 HydrophobicContact CZ2-CG1 3.94Å; W357-I413 HydrophobicContact CZ3-CG1 4.15Å; W357-D454 WeakPolarHBondContact CA-O 3.36Å; W357-L467 HydrophobicContact CB-CD2 4.31Å
358A97.8Very high96Very high7 Ų726.7 Ų26.76%0.05815%0.148CC..EExtended strand (participates in β ladder)trans-136134.816300000110.5L382 L383 D454A358-L382 HydrophobicContact CB-CB 4.5Å; A358-L382 HydrophobicContact CB-CD1 4.2Å; A358-L383 CarbonylContact C-O 3.58Å; A358-L383 WeakPolarHBondContact CA-O 3.4Å; A358-D454 HydrophobicContact CB-CB 3.96Å; A358-D454 PolarHBondContact N-O 3.27Å; A358-D454 PolarHBondContact O-N 3.39Å
359L98.6Very high95.7Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-126.5147.6-174.4-60.7177.1000109.6V349 V351 W357 L382 L383 I413 L415 F426 F453 L467V349-L359 HydrophobicContact CB-CD1 3.9Å; V349-L359 HydrophobicContact CG1-CD1 4.15Å; V349-L359 HydrophobicContact CG1-CD2 4.12Å; V349-L359 HydrophobicContact CG2-CD1 4.17Å; V349-L359 HydrophobicContact CG2-CD2 4.37Å; V351-L359 HydrophobicContact CG1-CD1 3.83Å; W357-L359 HydrophobicContact CE3-CB 4.44Å; W357-L359 HydrophobicContact CE3-CD1 3.92Å; W357-L359 HydrophobicContact CE3-CG 3.71Å; W357-L359 HydrophobicContact CZ3-CB 4.47Å; W357-L359 HydrophobicContact CZ3-CD1 3.95Å; W357-L359 HydrophobicContact CZ3-CG 4.05Å; L359-L382 CarbonylContact O-C 3.49Å; L359-L382 VanDerWaalsContact O-CA 3.31Å; L359-L382 WeakPolarHBondContact O-CA 3.37Å; L359-L383 PolarHBondContact N-O 2.96Å; L359-L383 PolarHBondContact O-N 2.96Å; L359-I413 HydrophobicContact CD1-CB 3.8Å; L359-I413 HydrophobicContact CD1-CG1 3.97Å; L359-I413 HydrophobicContact CD1-CG2 4.1Å; L359-L415 HydrophobicContact CB-CD2 4.46Å; L359-F426 WeakPolarHBondContact O-CE1 3.37Å; L359-F453 HydrophobicContact CD2-CB 4.41Å; L359-F453 HydrophobicContact CD2-CD1 3.75Å; L359-L467 HydrophobicContact CD2-CD1 4Å
360G98.3Very high95.4Very high1 Ų132.5 Ų32.51%0.0118%0.176CC..EExtended strand (participates in β ladder)trans163.1-139.6175.900000112.1W381 F452G360-W381 VanDerWaalsContact CA-O 3.25Å; G360-W381 WeakPolarHBondContact CA-O 3.47Å; G360-F452 PolarHBondContact N-O 3.46Å; G360-F452 VanDerWaalsContact N-O 3.08Å; G360-F452 PolarHBondContact O-N 3.17Å
361V98.3Very high95.1Very high0 Ų040.3 Ų40.30%020%0.203CC..EExtended strand (participates in β ladder)trans-132.4153.3176.1-570000111.3W347 W381 L424 L445 V449 Y450W347-V361 HydrophobicContact CH2-CG1 3.7Å; W347-V361 HydrophobicContact CZ2-CG1 3.87Å; V361-W381 HydrophobicContact CG2-CB 4.11Å; V361-W381 HydrophobicContact CG2-CD2 4.37Å; V361-W381 HydrophobicContact CG2-CE3 3.82Å; V361-W381 PolarHBondContact N-O 2.96Å; V361-W381 PolarHBondContact O-N 3.39Å; V361-L424 HydrophobicContact CG1-CD1 4.31Å; V361-L424 HydrophobicContact CG2-CD2 3.79Å; V361-L445 HydrophobicContact CG2-CD1 4.4Å; V361-V449 HydrophobicContact CB-CB 4.09Å; V361-V449 HydrophobicContact CB-CG2 3.97Å; V361-V449 HydrophobicContact CG1-CG2 4.16Å; V361-V449 HydrophobicContact CG2-CB 4.34Å; V361-V449 HydrophobicContact CG2-CG1 4.41Å; V361-V449 HydrophobicContact CG2-CG2 4.24Å; V361-Y450 VanDerWaalsContact CA-O 3.31Å; V361-Y450 WeakPolarHBondContact CA-O 3.37Å
362I97.8Very high94.9Very high0 Ų041.7 Ų41.70%021%0.211CC..EExtended strand (participates in β ladder)trans-123140.6172.7-169.5166.9000109.6F328 V335 R368 G379 L380 V449 Y450 F452F328-I362 HydrophobicContact CE1-CD1 4.38Å; F328-I362 HydrophobicContact CZ-CD1 4.39Å; V335-I362 HydrophobicContact CG1-CG2 3.59Å; I362-R368 VanDerWaalsContact CG2-NH2 3.32Å; I362-G379 CarbonylContact C-O 3.57Å; I362-G379 VanDerWaalsContact CA-O 3.27Å; I362-G379 WeakPolarHBondContact CA-O 3.49Å; I362-L380 HydrophobicContact CB-CD2 3.8Å; I362-L380 HydrophobicContact CD1-CD2 3.76Å; I362-L380 HydrophobicContact CD1-CG 4.15Å; I362-L380 HydrophobicContact CG1-CD2 3.7Å; I362-L380 HydrophobicContact CG1-CG 4.03Å; I362-V449 CarbonylContact O-C 3.52Å; I362-V449 WeakPolarHBondContact O-CA 3.46Å; I362-V449 VanDerWaalsContact O-CB 3.28Å; I362-V449 WeakPolarHBondContact O-CB 3.4Å; I362-Y450 PolarHBondContact N-O 3.15Å; I362-Y450 PolarHBondContact O-N 3.48Å; I362-F452 HydrophobicContact CB-CB 4.07Å; I362-F452 HydrophobicContact CB-CD2 3.94Å; I362-F452 HydrophobicContact CB-CG 4.24Å; I362-F452 HydrophobicContact CD1-CD2 4.11Å; I362-F452 HydrophobicContact CD1-CE2 4.22Å; I362-F452 HydrophobicContact CG2-CB 4Å; I362-F452 HydrophobicContact CG2-CD2 3.89Å; I362-F452 HydrophobicContact CG2-CG 4.36Å
363A97.2Very high94.9Very high16 Ų1646.2 Ų46.213%0.13223%0.225CC..EExtended strand (participates in β ladder)trans-53.3141.8170.500000110.8E365 G366 R368 G379 W381A363-E365 VanDerWaalsContact C-N 3.27Å; A363-E365 PolarHBondContact O-N 3.44Å; A363-G366 WeakPolarHBondContact O-CA 3.42Å; A363-G366 PolarHBondContact O-N 2.9Å; A363-R368 PolarHBondContact O-NH1 3.23Å; A363-R368 PolarHBondContact O-NH2 3.34Å; A363-G379 PolarHBondContact N-O 3.5Å; A363-W381 HydrophobicContact CB-CZ3 4.45Å
364A96.1Very high94.9Very high17 Ų1742.6 Ų42.614%0.1421%0.21CC..THydrogen-bonded Turntrans-54.5-46.7178.600000111.4G366 P448 Y450A364-G366 PolarHBondContact O-N 2.95Å; A364-P448 HydrophobicContact CB-CB 4.11Å; A364-P448 VanDerWaalsContact CB-O 3.27Å; A364-P448 WeakPolarHBondContact CB-O 3.38Å; A364-P448 PolarHBondContact N-O 3.46Å; A364-Y450 HydrophobicContact CB-CD2 4.25Å; A364-Y450 HydrophobicContact CB-CE2 3.86Å
365E93Very high94.9Very high181 Ų18143.7 Ų43.785%0.84622%0.216SC*.THydrogen-bonded Turntrans-86.913.2176.3-54.3-53.8134.100113.3A363A363-E365 VanDerWaalsContact C-N 3.27Å; A363-E365 PolarHBondContact O-N 3.44Å
366G91.7Very high95Very high11 Ų1142.9 Ų42.911%0.11321%0.211CC..  trans-69.3159.2-178.100000113.2A363 A364 R368A363-G366 WeakPolarHBondContact O-CA 3.42Å; A363-G366 PolarHBondContact O-N 2.9Å; A364-G366 PolarHBondContact O-N 2.95Å; G366-R368 VanDerWaalsContact C-NH1 3.28Å; G366-R368 PolarHBondContact O-N 2.92Å; G366-R368 PolarHBondContact O-NH1 3.24Å
367P93.3Very high94.9Very high53 Ų5344 Ų4434%0.34423%0.226SC..  trans-64.1134-178.826.9-33.8000111.8L372P367-L372 HydrophobicContact CB-CD2 4.01Å; P367-L372 HydrophobicContact CG-CD2 4.14Å; P367-L372 VanDerWaalsContact O-CD2 3.22Å; P367-L372 WeakPolarHBondContact O-CD2 3.37Å
368R94.8Very high94.9Very high23 Ų2348.2 Ų48.29%0.08725%0.247CC..  trans-111.2-17.1172.7-57.7-61.5-172-90.66.3112.9P325 F328 I362 A363 G366P325-R368 WeakPolarHBondContact O-CB 3.32Å; F328-R368 WeakPolarHBondContact CA-O 3.36Å; F328-R368 HydrophobicContact CD1-CB 4.16Å; F328-R368 WeakPolarHBondContact CD1-O 3.35Å; F328-R368 HydrophobicContact CE1-CB 4.19Å; F328-R368 HydrophobicContact CE1-CG 4.3Å; I362-R368 VanDerWaalsContact CG2-NH2 3.32Å; A363-R368 PolarHBondContact O-NH1 3.23Å; A363-R368 PolarHBondContact O-NH2 3.34Å; G366-R368 VanDerWaalsContact C-NH1 3.28Å; G366-R368 PolarHBondContact O-N 2.92Å; G366-R368 PolarHBondContact O-NH1 3.24Å
369R92.7Very high94.7Very high102 Ų10248.4 Ų48.439%0.38525%0.249SC..SBendtrans-107.2147.9-174-54.9-60.3-66.3-142.4-4.4111.8G322 D324 Q327 D329G322-R369 PolarHBondContact O-NH1 3.02Å; D324-R369 PolarHBondContact O-NH1 3.48Å; Q327-R369 WeakPolarHBondContact O-CD 3.38Å; D329-R369 VanDerWaalsContact OD1-CA 3.3Å; D329-R369 WeakPolarHBondContact OD1-CA 3.43Å; D329-R369 IonicContact OD1-NE 3.48Å; D329-R369 IonicContact OD2-CZ 3.19Å; D329-R369 IonicContact OD2-NE 3.94Å; D329-R369 PolarHBondContact OD2-NE 2.97Å; D329-R369 IonicContact OD2-NH2 2.7Å; D329-R369 PolarHBondContact OD2-NH2 2.94Å
370G91.5Very high94.7Very high20 Ų2048.4 Ų48.421%0.20625%0.249CC..SBendtrans76.7-166.3178.800000113.3D329 L372D329-G370 PolarHBondContact OD1-N 3.49Å; D329-G370 PolarHBondContact OD2-N 3.12Å; G370-L372 PolarHBondContact O-N 2.89Å
371R91.4Very high94.6Very high208 Ų20848.6 Ų48.679%0.78525%0.249SC*.SBendtrans-77.7114.6178.7-175.2177.2-176.5177.30.5108.3
372L93.1Very high94.6Very high31 Ų3148.8 Ų48.816%0.16225%0.25CS..  trans-73137.5177.1-55-176.4000110.5F328 A331 P367 G370 L380 F452F328-L372 HydrophobicContact CD1-CD1 3.99Å; F328-L372 HydrophobicContact CE1-CD1 3.73Å; A331-L372 HydrophobicContact CB-CD1 3.6Å; A331-L372 HydrophobicContact CB-CG 3.97Å; P367-L372 HydrophobicContact CB-CD2 4.01Å; P367-L372 HydrophobicContact CG-CD2 4.14Å; P367-L372 VanDerWaalsContact O-CD2 3.22Å; P367-L372 WeakPolarHBondContact O-CD2 3.37Å; G370-L372 PolarHBondContact O-N 2.89Å; L372-L380 HydrophobicContact CB-CD1 4.15Å; L372-F452 HydrophobicContact CD1-CE2 4.39Å; L372-F452 HydrophobicContact CD1-CZ 4.4Å
373H92.6Very high94.6Very high116 Ų11648.8 Ų48.854%0.53725%0.25SS..  trans-98.8101.4170.1-69.1-64.7000107.6V375 Q378H373-V375 VanDerWaalsContact C-N 3.29Å; H373-V375 PolarHBondContact O-N 3.39Å; H373-Q378 HydrophobicContact CB-CG 4.04Å; H373-Q378 WeakPolarHBondContact O-CB 3.37Å
374A93.8Very high94.5Very high25 Ų2548.1 Ų48.121%0.20725%0.245CC..  trans-75.181.7-178.600000110.6L382 H394A374-L382 HydrophobicContact CB-CD1 3.85Å; A374-H394 HydrophobicContact CB-CB 4.3Å; A374-H394 VanDerWaalsContact CB-ND1 3.27Å; A374-H394 WeakPolarHBondContact CB-ND1 3.39Å; A374-H394 WeakPolarHBondContact O-CB 3.44Å; A374-H394 PolarHBondContact O-ND1 3.41Å
375V95.1Very high94.5Very high24 Ų2447.8 Ų47.815%0.14524%0.24CC..SBendtrans-144152.5172.3-63.90000110.1H373 S377 Q378 L380 V395H373-V375 VanDerWaalsContact C-N 3.29Å; H373-V375 PolarHBondContact O-N 3.39Å; V375-S377 VanDerWaalsContact C-N 3.33Å; V375-S377 PolarHBondContact O-N 2.56Å; V375-Q378 HydrophobicContact CG2-CB 3.99Å; V375-Q378 HydrophobicContact CG2-CG 3.57Å; V375-Q378 PolarHBondContact O-N 2.66Å; V375-L380 CarbonylContact C-O 3.54Å; V375-L380 PolarHBondContact O-N 3.25Å; V375-V395 WeakPolarHBondContact CG1-O 3.3Å
376P95.4Very high94.4Very high10 Ų1044.1 Ų44.17%0.06522%0.219CC..G310 helixtrans-53.4-42.3-179.4-33.340000114.8Q378 G379 L380 E396 F441 E443P376-Q378 PolarHBondContact O-N 3Å; P376-Q378 VanDerWaalsContact O-N 3.08Å; P376-G379 WeakPolarHBondContact O-CA 3.39Å; P376-G379 PolarHBondContact O-N 3.35Å; P376-L380 WeakPolarHBondContact CA-O 3.37Å; P376-L380 VanDerWaalsContact N-O 3.14Å; P376-E396 WeakPolarHBondContact CD-OE2 3.41Å; P376-F441 HydrophobicContact CG-CD1 4.39Å; P376-F441 HydrophobicContact CG-CE1 4.08Å; P376-E443 WeakPolarHBondContact CB-OE1 3.37Å
377S94.4Very high94.3Very high74 Ų7448.9 Ų48.952%0.51724%0.238SC..G310 helixtrans-62.9-16.6179.163.70000114.5V375 E396V375-S377 VanDerWaalsContact C-N 3.33Å; V375-S377 PolarHBondContact O-N 2.56Å; S377-E396 WeakPolarHBondContact CB-OE1 3.43Å; S377-E396 VanDerWaalsContact CB-OE2 3.27Å; S377-E396 WeakPolarHBondContact CB-OE2 3.41Å; S377-E396 PolarHBondContact N-OE2 3.22Å; S377-E396 VanDerWaalsContact OG-CD 3.28Å; S377-E396 PolarHBondContact OG-OE1 2.92Å; S377-E396 PolarHBondContact OG-OE2 2.93Å
378Q95Very high94Very high94 Ų9447.1 Ų47.144%0.43923%0.23SC..G310 helixtrans-100.39.1174.2-61.4-62.9-57.900112.4H373 V375 P376H373-Q378 HydrophobicContact CB-CG 4.04Å; H373-Q378 WeakPolarHBondContact O-CB 3.37Å; V375-Q378 HydrophobicContact CG2-CB 3.99Å; V375-Q378 HydrophobicContact CG2-CG 3.57Å; V375-Q378 PolarHBondContact O-N 2.66Å; P376-Q378 PolarHBondContact O-N 3Å; P376-Q378 VanDerWaalsContact O-N 3.08Å
379G95.5Very high93.6Very high10 Ų1054.1 Ų54.110%0.10326%0.261CS..THydrogen-bonded Turntrans79.428.8178.100000113.8I362 A363 P376 W381I362-G379 CarbonylContact C-O 3.57Å; I362-G379 VanDerWaalsContact CA-O 3.27Å; I362-G379 WeakPolarHBondContact CA-O 3.49Å; A363-G379 PolarHBondContact N-O 3.5Å; P376-G379 WeakPolarHBondContact O-CA 3.39Å; P376-G379 PolarHBondContact O-N 3.35Å; G379-W381 VanDerWaalsContact O-CZ3 3.27Å; G379-W381 WeakPolarHBondContact O-CZ3 3.29Å
380L96.8Very high93.6Very high1 Ų152.1 Ų52.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-129.3123.1-178.1-84.9163.2000111.2I362 L372 V375 P376 L382 F452I362-L380 HydrophobicContact CB-CD2 3.8Å; I362-L380 HydrophobicContact CD1-CD2 3.76Å; I362-L380 HydrophobicContact CD1-CG 4.15Å; I362-L380 HydrophobicContact CG1-CD2 3.7Å; I362-L380 HydrophobicContact CG1-CG 4.03Å; L372-L380 HydrophobicContact CB-CD1 4.15Å; V375-L380 CarbonylContact C-O 3.54Å; V375-L380 PolarHBondContact O-N 3.25Å; P376-L380 WeakPolarHBondContact CA-O 3.37Å; P376-L380 VanDerWaalsContact N-O 3.14Å; L380-L382 HydrophobicContact CD2-CD1 4.16Å; L380-L382 HydrophobicContact CD2-CD2 4.09Å; L380-L382 HydrophobicContact CD2-CG 4.22Å; L380-F452 HydrophobicContact CD2-CD1 4.37Å; L380-F452 HydrophobicContact CD2-CD2 4.35Å; L380-F452 HydrophobicContact CD2-CE1 4.36Å; L380-F452 HydrophobicContact CD2-CE2 4.35Å; L380-F452 HydrophobicContact CD2-CG 4.35Å; L380-F452 HydrophobicContact CD2-CZ 4.35Å
381W97.6Very high93.7Very high5 Ų551.3 Ų51.32%0.01925%0.248CC..EExtended strand (participates in β ladder)trans-124.395.8179.3-62.4-95.2000109.7G360 V361 A363 G379 L424 F441 E443 L445 P446 V449G360-W381 VanDerWaalsContact CA-O 3.25Å; G360-W381 WeakPolarHBondContact CA-O 3.47Å; V361-W381 HydrophobicContact CG2-CB 4.11Å; V361-W381 HydrophobicContact CG2-CD2 4.37Å; V361-W381 HydrophobicContact CG2-CE3 3.82Å; V361-W381 PolarHBondContact N-O 2.96Å; V361-W381 PolarHBondContact O-N 3.39Å; A363-W381 HydrophobicContact CB-CZ3 4.45Å; G379-W381 VanDerWaalsContact O-CZ3 3.27Å; G379-W381 WeakPolarHBondContact O-CZ3 3.29Å; W381-L424 HydrophobicContact CB-CD2 3.54Å; W381-L424 HydrophobicContact CG-CD2 4.43Å; W381-F441 HydrophobicContact CB-CD2 4.04Å; W381-F441 HydrophobicContact CB-CE2 3.94Å; W381-F441 HydrophobicContact CB-CG 4.49Å; W381-F441 HydrophobicContact CB-CZ 4.3Å; W381-F441 AromaticContact CD1-CD1 3.85Å; W381-F441 AromaticContact CD1-CG 3.88Å; W381-E443 PolarHBondContact NE1-OE1 3.37Å; W381-L445 HydrophobicContact CD2-CD2 3.66Å; W381-L445 VanDerWaalsContact CE2-CD2 3.46Å; W381-L445 HydrophobicContact CE3-CD2 3.94Å; W381-L445 HydrophobicContact CG-CD2 4.29Å; W381-L445 HydrophobicContact CH2-CD2 3.85Å; W381-L445 HydrophobicContact CZ2-CD2 3.59Å; W381-L445 HydrophobicContact CZ3-CD2 4.01Å; W381-P446 HydrophobicContact CH2-CG 4.07Å; W381-V449 HydrophobicContact CZ3-CG1 4.44Å
382L97.9Very high94Very high4 Ų442.6 Ų42.62%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-123.3146.7-167.6-51.6-176.2000113.4A358 L359 A374 L380 H394 F452A358-L382 HydrophobicContact CB-CB 4.5Å; A358-L382 HydrophobicContact CB-CD1 4.2Å; L359-L382 CarbonylContact O-C 3.49Å; L359-L382 VanDerWaalsContact O-CA 3.31Å; L359-L382 WeakPolarHBondContact O-CA 3.37Å; A374-L382 HydrophobicContact CB-CD1 3.85Å; L380-L382 HydrophobicContact CD2-CD1 4.16Å; L380-L382 HydrophobicContact CD2-CD2 4.09Å; L380-L382 HydrophobicContact CD2-CG 4.22Å; L382-H394 HydrophobicContact CB-CB 4Å; L382-H394 WeakPolarHBondContact O-CB 3.05Å; L382-H394 PolarHBondContact O-N 3.07Å; L382-F452 HydrophobicContact CD1-CD1 4.09Å; L382-F452 HydrophobicContact CD1-CE1 3.72Å; L382-F452 HydrophobicContact CD2-CB 4.43Å; L382-F452 HydrophobicContact CD2-CD1 3.4Å; L382-F452 HydrophobicContact CD2-CE1 3.94Å; L382-F452 HydrophobicContact CD2-CG 4.2Å; L382-F452 HydrophobicContact CG-CD1 4.41Å
383L97.8Very high94.2Very high0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-112.1128161.5-176.473000108.4W357 A358 L359 L391 A393 L403 F426 L438 F439W357-L383 WeakPolarHBondContact CZ3-O 3.4Å; A358-L383 CarbonylContact C-O 3.58Å; A358-L383 WeakPolarHBondContact CA-O 3.4Å; L359-L383 PolarHBondContact N-O 2.96Å; L359-L383 PolarHBondContact O-N 2.96Å; L383-L391 HydrophobicContact CD1-CD1 4.25Å; L383-L391 HydrophobicContact CD1-CD2 4.23Å; L383-L391 HydrophobicContact CD1-CG 3.94Å; L383-L391 HydrophobicContact CD2-CD1 4.11Å; L383-L391 HydrophobicContact CD2-CD2 4.34Å; L383-L391 HydrophobicContact CD2-CG 4.45Å; L383-L391 HydrophobicContact CG-CD1 4.05Å; L383-L391 HydrophobicContact CG-CG 4.3Å; L383-A393 HydrophobicContact CD1-CB 4.44Å; L383-L403 HydrophobicContact CD1-CD1 3.49Å; L383-L403 VanDerWaalsContact CD1-CD1 3.49Å; L383-F426 HydrophobicContact CB-CD1 3.5Å; L383-F426 HydrophobicContact CB-CD2 4.26Å; L383-F426 HydrophobicContact CB-CE1 3.56Å; L383-F426 HydrophobicContact CB-CE2 4.34Å; L383-F426 HydrophobicContact CB-CG 3.87Å; L383-F426 HydrophobicContact CB-CZ 4Å; L383-F426 HydrophobicContact CD2-CB 3.6Å; L383-F426 HydrophobicContact CD2-CD1 3.82Å; L383-F426 HydrophobicContact CD2-CG 3.8Å; L383-F426 HydrophobicContact CG-CD1 4.3Å; L383-F426 HydrophobicContact CG-CG 4.4Å; L383-L438 HydrophobicContact CD2-CB 4.39Å; L383-L438 HydrophobicContact CD2-CD1 4.1Å; L383-F439 HydrophobicContact CD1-CB 4.16Å
384G96Very high94.3Very high1 Ų137 Ų371%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-123.3157.3-179.700000113.5W357 L391 E392W357-G384 CarbonylContact O-C 3.57Å; W357-G384 WeakPolarHBondContact O-CA 3.05Å; G384-L391 CarbonylContact O-C 3.51Å; G384-L391 WeakPolarHBondContact O-CA 3.36Å; G384-L391 WeakPolarHBondContact O-CD1 3.34Å; G384-E392 PolarHBondContact N-O 3.48Å; G384-E392 PolarHBondContact O-N 3.29Å
385L95.2Very high94.4Very high10 Ų1037.3 Ų37.35%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-114.1130.6167.1-175.970000109.1R356 W357 I390 L391R356-L385 VanDerWaalsContact CA-O 3.3Å; R356-L385 WeakPolarHBondContact CA-O 3.4Å; W357-L385 HydrophobicContact CD2-CB 3.84Å; W357-L385 HydrophobicContact CE3-CB 4.35Å; W357-L385 HydrophobicContact CG-CB 4.36Å; W357-L385 HydrophobicContact CH2-CB 4.1Å; W357-L385 HydrophobicContact CZ2-CB 3.56Å; W357-L385 HydrophobicContact CZ2-CD2 4.1Å; W357-L385 HydrophobicContact CZ2-CG 4.39Å; W357-L385 HydrophobicContact CZ3-CB 4.47Å; W357-L385 PolarHBondContact N-O 3.35Å; W357-L385 PolarHBondContact O-N 3.39Å; L385-I390 WeakPolarHBondContact CA-O 3.32Å; L385-L391 HydrophobicContact CD1-CD1 4.42Å
386R91.8Very high94.4Very high104 Ų10441.6 Ų41.639%0.39221%0.208SC..EExtended strand (participates in β ladder)trans-118.7130.7178.6-172.4167.356.8761.1111.2G388 K389 I390 E392R386-G388 PolarHBondContact O-N 3.41Å; R386-G388 VanDerWaalsContact O-N 3.09Å; R386-K389 PolarHBondContact O-N 2.93Å; R386-K389 VanDerWaalsContact O-N 3.15Å; R386-I390 HydrophobicContact CB-CB 4.47Å; R386-I390 PolarHBondContact N-O 2.93Å; R386-I390 VanDerWaalsContact NH2-CD1 3.34Å; R386-I390 PolarHBondContact O-N 3.49Å; R386-E392 IonicContact CZ-OE2 3.99Å; R386-E392 IonicContact NE-OE1 2.75Å; R386-E392 IonicContact NE-OE2 2.81Å; R386-E392 PolarHBondContact NE-OE2 3.12Å; R386-E392 IonicContact NH2-OE2 3.51Å; R386-E392 PolarHBondContact NH2-OE2 3.07Å
387E87.8Confident94.3Very high111 Ų11143.5 Ų43.552%0.51922%0.224SC..THydrogen-bonded Turntrans51.532.4178.1-58.6-59.2137.100113.5P355 R356 K389P355-E387 PolarHBondContact O-N 3.49Å; R356-E387 IonicContact CZ-OE1 3.43Å; R356-E387 IonicContact NH1-OE1 2.89Å; R356-E387 PolarHBondContact NH1-OE1 3.11Å; E387-K389 PolarHBondContact O-N 3.05Å; E387-K389 VanDerWaalsContact O-N 3.1Å
388G87.2Confident94Very high17 Ų1749.5 Ų49.518%0.17524%0.241CC..THydrogen-bonded Turntrans67.25.6178.400000115.7P355 R386P355-G388 WeakPolarHBondContact O-CA 3.29Å; P355-G388 PolarHBondContact O-N 3.37Å; R386-G388 PolarHBondContact O-N 3.41Å; R386-G388 VanDerWaalsContact O-N 3.09Å
389K87.2Confident93.7Very high170 Ų17051.4 Ų51.474%0.73925%0.25SC*.THydrogen-bonded Turntrans-132.6-37.6-169.8-67.3-178.8-177.6-1790114.3R386 E387R386-K389 PolarHBondContact O-N 2.93Å; R386-K389 VanDerWaalsContact O-N 3.15Å; E387-K389 PolarHBondContact O-N 3.05Å; E387-K389 VanDerWaalsContact O-N 3.1Å
390I92.2Very high93.6Very high60 Ų6052.9 Ų52.931%0.30826%0.257SS..EExtended strand (participates in β ladder)trans-102.5106.9-170.8-58.8172000107.9L385 R386 A402L385-I390 WeakPolarHBondContact CA-O 3.32Å; R386-I390 HydrophobicContact CB-CB 4.47Å; R386-I390 PolarHBondContact N-O 2.93Å; R386-I390 VanDerWaalsContact NH2-CD1 3.34Å; R386-I390 PolarHBondContact O-N 3.49Å; I390-A402 HydrophobicContact CG2-CB 4.15Å
391L94.9Very high93.5Very high3 Ų360.1 Ų60.12%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-80.1128.7168.7-165.974.1000108.1W357 L383 G384 L385 L403 L438W357-L391 HydrophobicContact CH2-CD1 3.9Å; L383-L391 HydrophobicContact CD1-CD1 4.25Å; L383-L391 HydrophobicContact CD1-CD2 4.23Å; L383-L391 HydrophobicContact CD1-CG 3.94Å; L383-L391 HydrophobicContact CD2-CD1 4.11Å; L383-L391 HydrophobicContact CD2-CD2 4.34Å; L383-L391 HydrophobicContact CD2-CG 4.45Å; L383-L391 HydrophobicContact CG-CD1 4.05Å; L383-L391 HydrophobicContact CG-CG 4.3Å; G384-L391 CarbonylContact O-C 3.51Å; G384-L391 WeakPolarHBondContact O-CA 3.36Å; G384-L391 WeakPolarHBondContact O-CD1 3.34Å; L385-L391 HydrophobicContact CD1-CD1 4.42Å; L391-L403 HydrophobicContact CB-CB 4.42Å; L391-L403 HydrophobicContact CD2-CB 4.5Å; L391-L403 HydrophobicContact CD2-CD1 3.88Å; L391-L403 HydrophobicContact CG-CD1 4.09Å; L391-L403 WeakPolarHBondContact O-CB 3.36Å; L391-L403 PolarHBondContact O-N 3.44Å; L391-L438 HydrophobicContact CD2-CB 4.21Å; L391-L438 HydrophobicContact CD2-CD1 4.12Å; L391-L438 HydrophobicContact CD2-CD2 4.02Å; L391-L438 HydrophobicContact CD2-CG 4.35Å
392E96.2Very high93.4Very high24 Ų2463 Ų6311%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-137135.9-174.661.3-166.2-167.700112.1G384 R386 P400 R401G384-E392 PolarHBondContact N-O 3.48Å; G384-E392 PolarHBondContact O-N 3.29Å; R386-E392 IonicContact CZ-OE2 3.99Å; R386-E392 IonicContact NE-OE1 2.75Å; R386-E392 IonicContact NE-OE2 2.81Å; R386-E392 PolarHBondContact NE-OE2 3.12Å; R386-E392 IonicContact NH2-OE2 3.51Å; R386-E392 PolarHBondContact NH2-OE2 3.07Å; E392-P400 HydrophobicContact CB-CB 3.89Å; E392-P400 HydrophobicContact CG-CB 3.93Å; E392-R401 CarbonylContact C-O 3.59Å; E392-R401 VanDerWaalsContact CA-O 3.29Å; E392-R401 WeakPolarHBondContact CA-O 3.37Å
393A97.3Very high93.1Very high0 Ų064.2 Ų64.20%032%0.316CS..EExtended strand (participates in β ladder)trans-98.4129.7176.400000110.2L383 V395 R401 L403 F439L383-A393 HydrophobicContact CD1-CB 4.44Å; A393-V395 VanDerWaalsContact C-N 3.33Å; A393-V395 HydrophobicContact CB-CG1 4.12Å; A393-V395 PolarHBondContact O-N 3.38Å; A393-R401 PolarHBondContact N-O 3.22Å; A393-R401 PolarHBondContact O-N 2.94Å; A393-L403 HydrophobicContact CB-CD1 4.33Å; A393-L403 HydrophobicContact CB-CD2 4.11Å; A393-L403 HydrophobicContact CB-CG 4.4Å; A393-F439 HydrophobicContact CB-CD1 3.68Å; A393-F439 HydrophobicContact CB-CD2 3.81Å; A393-F439 HydrophobicContact CB-CE1 3.61Å; A393-F439 HydrophobicContact CB-CE2 3.72Å; A393-F439 HydrophobicContact CB-CG 3.79Å; A393-F439 HydrophobicContact CB-CZ 3.63Å
394H96.2Very high92.5Very high29 Ų2975.7 Ų75.713%0.13436%0.359CS..  trans-82.378.5178.2-72.8-98000110.2A374 L382 F441A374-H394 HydrophobicContact CB-CB 4.3Å; A374-H394 VanDerWaalsContact CB-ND1 3.27Å; A374-H394 WeakPolarHBondContact CB-ND1 3.39Å; A374-H394 WeakPolarHBondContact O-CB 3.44Å; A374-H394 PolarHBondContact O-ND1 3.41Å; L382-H394 HydrophobicContact CB-CB 4Å; L382-H394 WeakPolarHBondContact O-CB 3.05Å; L382-H394 PolarHBondContact O-N 3.07Å; H394-F441 WeakPolarHBondContact O-CZ 3.41Å
395V95.2Very high91.2Very high32 Ų3280.1 Ų80.119%0.19439%0.39CS..  trans-87.6173.7-180-60.20000111.6V375 A393 A397 R401 F439 F441V375-V395 WeakPolarHBondContact CG1-O 3.3Å; A393-V395 VanDerWaalsContact C-N 3.33Å; A393-V395 HydrophobicContact CB-CG1 4.12Å; A393-V395 PolarHBondContact O-N 3.38Å; V395-A397 HydrophobicContact CG2-CB 3.98Å; V395-A397 PolarHBondContact O-N 2.99Å; V395-R401 HydrophobicContact CG1-CB 4.4Å; V395-R401 HydrophobicContact CG2-CB 3.9Å; V395-F439 HydrophobicContact CG1-CE1 4.38Å; V395-F439 HydrophobicContact CG1-CE2 4.45Å; V395-F439 HydrophobicContact CG1-CZ 3.69Å; V395-F441 HydrophobicContact CG1-CE1 4.23Å
396E94.6Very high90.2Very high115 Ų11581.7 Ų81.754%0.53740%0.401SS..SBendtrans-68.871.5176-161.963-139.800111.8P376 S377P376-E396 WeakPolarHBondContact CD-OE2 3.41Å; S377-E396 WeakPolarHBondContact CB-OE1 3.43Å; S377-E396 VanDerWaalsContact CB-OE2 3.27Å; S377-E396 WeakPolarHBondContact CB-OE2 3.41Å; S377-E396 PolarHBondContact N-OE2 3.22Å; S377-E396 VanDerWaalsContact OG-CD 3.28Å; S377-E396 PolarHBondContact OG-OE1 2.92Å; S377-E396 PolarHBondContact OG-OE2 2.93Å
397A92.8Very high89.2Confident50 Ų5086.4 Ų86.441%0.41343%0.427SS..SBendtrans-153.4161.9-178.100000110.4V395 E399V395-A397 HydrophobicContact CG2-CB 3.98Å; V395-A397 PolarHBondContact O-N 2.99Å; A397-E399 VanDerWaalsContact C-N 3.29Å; A397-E399 PolarHBondContact O-N 3.27Å
398K88.1Confident89Confident199 Ų19991 Ų9187%0.86544%0.44SS*.SBendtrans-63.5-35.2178.8-176.3178175-176.40112.8
399E90.4Very high89Confident134 Ų13494.1 Ų94.163%0.62645%0.446SS*.SBendtrans-121.8145.2-179.6-61.8-62.3153.100109.7A397A397-E399 VanDerWaalsContact C-N 3.29Å; A397-E399 PolarHBondContact O-N 3.27Å
400P92.8Very high89.3Confident41 Ų4186.1 Ų86.127%0.26641%0.412SS..  trans-58144.5174.4-23.734.2000112.2E392 A402E392-P400 HydrophobicContact CB-CB 3.89Å; E392-P400 HydrophobicContact CG-CB 3.93Å; P400-A402 PolarHBondContact O-N 2.96Å
401R95.1Very high89.4Confident153 Ų15386 Ų8658%0.57741%0.414SS*.EExtended strand (participates in β ladder)trans-81.2110.4176.4179.9-178.9-179.6-179.81109.5E392 A393 V395 L403E392-R401 CarbonylContact C-O 3.59Å; E392-R401 VanDerWaalsContact CA-O 3.29Å; E392-R401 WeakPolarHBondContact CA-O 3.37Å; A393-R401 PolarHBondContact N-O 3.22Å; A393-R401 PolarHBondContact O-N 2.94Å; V395-R401 HydrophobicContact CG1-CB 4.4Å; V395-R401 HydrophobicContact CG2-CB 3.9Å; R401-L403 PolarHBondContact O-N 3.37Å
402A94.2Very high89.5Confident65 Ų6588.5 Ų88.554%0.53742%0.423SS..EExtended strand (participates in β ladder)trans-60.3131.6169.200000110.7I390 P400I390-A402 HydrophobicContact CG2-CB 4.15Å; P400-A402 PolarHBondContact O-N 2.96Å
403L93Very high89.6Confident31 Ų3187.3 Ų87.316%0.16242%0.418CS..PPolyproline II helixtrans-95.4164.9176.8-55.8-177.5000110.1L383 L391 A393 R401 S405 F439L383-L403 HydrophobicContact CD1-CD1 3.49Å; L383-L403 VanDerWaalsContact CD1-CD1 3.49Å; L391-L403 HydrophobicContact CB-CB 4.42Å; L391-L403 HydrophobicContact CD2-CB 4.5Å; L391-L403 HydrophobicContact CD2-CD1 3.88Å; L391-L403 HydrophobicContact CG-CD1 4.09Å; L391-L403 WeakPolarHBondContact O-CB 3.36Å; L391-L403 PolarHBondContact O-N 3.44Å; A393-L403 HydrophobicContact CB-CD1 4.33Å; A393-L403 HydrophobicContact CB-CD2 4.11Å; A393-L403 HydrophobicContact CB-CG 4.4Å; R401-L403 PolarHBondContact O-N 3.37Å; L403-S405 PolarHBondContact O-N 3.14Å; L403-F439 HydrophobicContact CD1-CB 3.77Å; L403-F439 HydrophobicContact CD1-CD2 4.17Å; L403-F439 HydrophobicContact CD1-CG 4.18Å; L403-F439 HydrophobicContact CD2-CD2 3.69Å; L403-F439 HydrophobicContact CD2-CE2 4.22Å; L403-F439 HydrophobicContact CD2-CG 4.48Å
404R83.9Confident89.6Confident241 Ų24187.3 Ų87.391%0.90942%0.418SS*.PPolyproline II helixtrans-61.3129.4173-70.3-176.6179.7-123.50.9108.4P406R404-P406 WeakPolarHBondContact O-CD 3.34Å
405S70.4Confident89.7Confident93 Ų9386 Ų8665%0.6541%0.411SS*.PPolyproline II helixtrans-61.2121176.952.20000108.9L403L403-S405 PolarHBondContact O-N 3.14Å
406P72.8Confident89.8Confident43 Ų4385.9 Ų85.928%0.27941%0.408SS..PPolyproline II helixtrans-63.5149.5172.427.3-32.4000109.4R404 R408 P410R404-P406 WeakPolarHBondContact O-CD 3.34Å; P406-R408 VanDerWaalsContact CB-O 3.24Å; P406-R408 WeakPolarHBondContact CB-O 3.34Å; P406-R408 VanDerWaalsContact CG-O 3.29Å; P406-R408 WeakPolarHBondContact CG-O 3.4Å; P406-R408 PolarHBondContact O-N 2.9Å; P406-P410 HydrophobicContact CG-CG 4.27Å
407E72.2Confident89.9Confident203 Ų20380.5 Ų80.595%0.94938%0.382SS*.SBendtrans-57.7-32.3-179.3-66.4-171.717300112
408R82.9Confident90.1Very high209 Ų20978.2 Ų78.279%0.78936%0.364SS*.SBendtrans-124.7147.6172.5-63.3-176.6-178.4-163.60.6108.8P406P406-R408 VanDerWaalsContact CB-O 3.24Å; P406-R408 WeakPolarHBondContact CB-O 3.34Å; P406-R408 VanDerWaalsContact CG-O 3.29Å; P406-R408 WeakPolarHBondContact CG-O 3.4Å; P406-R408 PolarHBondContact O-N 2.9Å
409R87Confident90.4Very high81 Ų8170.4 Ų70.431%0.30633%0.33SS..  trans-72.6129.7175.8178.6177.9172.1-164.3-3.4109.8D353 K354 T411D353-R409 VanDerWaalsContact O-CZ 3.25Å; D353-R409 PolarHBondContact O-NH1 3.02Å; D353-R409 PolarHBondContact O-NH2 3.32Å; K354-R409 VanDerWaalsContact N-NH2 3.19Å; K354-R409 PolarHBondContact O-NH2 2.93Å; R409-T411 PolarHBondContact O-N 3.29Å
410P92.7Very high90.5Very high3 Ų366.6 Ų66.62%0.01933%0.327CS..  trans-63.8131.7174.8-20.932000110.9V351 P406 I413 D428 S430 L438V351-P410 WeakPolarHBondContact CG2-O 3.15Å; P406-P410 HydrophobicContact CG-CG 4.27Å; P410-I413 HydrophobicContact CB-CD1 3.56Å; P410-I413 HydrophobicContact CG-CD1 4.12Å; P410-D428 HydrophobicContact CB-CB 4.27Å; P410-D428 HydrophobicContact CG-CB 4.19Å; P410-S430 WeakPolarHBondContact CA-OG 3.36Å; P410-L438 HydrophobicContact CG-CD1 4.31Å
411T95.5Very high90.4Very high56 Ų5670 Ų7034%0.34434%0.342SS..SBendtrans-95.4-17.7169.362.40000111.7E350 V351 G352 R409 S430E350-T411 VanDerWaalsContact OE1-O 3.11Å; V351-T411 VanDerWaalsContact CG2-O 3.25Å; V351-T411 WeakPolarHBondContact CG2-O 3.41Å; V351-T411 PolarHBondContact N-O 3.22Å; G352-T411 PolarHBondContact N-O 3.03Å; R409-T411 PolarHBondContact O-N 3.29Å; T411-S430 PolarHBondContact N-OG 3.49Å; T411-S430 PolarHBondContact OG1-OG 3.01Å
412R97Very high90.3Very high56 Ų5662.9 Ų62.921%0.21132%0.317CS..EExtended strand (participates in β ladder)trans-136.2137174.6-170.8-176.2-59.1179.70.2111.5E348 V349 E350 A429 S430E348-R412 HydrophobicContact CB-CG 4.19Å; E348-R412 WeakPolarHBondContact OE2-CD 3.4Å; E348-R412 IonicContact OE2-CZ 3.46Å; E348-R412 IonicContact OE2-NE 3.68Å; E348-R412 IonicContact OE2-NH1 2.94Å; E348-R412 PolarHBondContact OE2-NH1 2.99Å; V349-R412 WeakPolarHBondContact O-CA 3.42Å; E350-R412 IonicContact OE2-CZ 3.54Å; E350-R412 VanDerWaalsContact OE2-CZ 3.28Å; E350-R412 IonicContact OE2-NE 4Å; E350-R412 PolarHBondContact OE2-NE 3.12Å; E350-R412 IonicContact OE2-NH2 3.66Å; E350-R412 PolarHBondContact OE2-NH2 3.29Å; R412-A429 HydrophobicContact CB-CB 4.33Å; R412-A429 WeakPolarHBondContact CD-O 3.48Å; R412-A429 HydrophobicContact CG-CB 4.01Å; R412-A429 PolarHBondContact O-N 3.41Å; R412-S430 PolarHBondContact N-OG 3.33Å
413I97.6Very high90.5Very high0 Ų061.1 Ų61.10%030%0.299CS..EExtended strand (participates in β ladder)trans-114.1121.9178.2-55.9-62.6000109.3E348 V349 V351 W357 L359 P410 L415 F426 Y427 L438E348-I413 WeakPolarHBondContact CA-O 3.18Å; V349-I413 PolarHBondContact N-O 2.84Å; V349-I413 PolarHBondContact O-N 3.31Å; V351-I413 HydrophobicContact CG1-CG1 4.15Å; V351-I413 HydrophobicContact CG2-CG1 4.33Å; W357-I413 HydrophobicContact CH2-CD1 3.64Å; W357-I413 HydrophobicContact CH2-CG1 3.53Å; W357-I413 HydrophobicContact CZ2-CD1 4.07Å; W357-I413 HydrophobicContact CZ2-CG1 3.94Å; W357-I413 HydrophobicContact CZ3-CG1 4.15Å; L359-I413 HydrophobicContact CD1-CB 3.8Å; L359-I413 HydrophobicContact CD1-CG1 3.97Å; L359-I413 HydrophobicContact CD1-CG2 4.1Å; P410-I413 HydrophobicContact CB-CD1 3.56Å; P410-I413 HydrophobicContact CG-CD1 4.12Å; I413-L415 HydrophobicContact CG2-CD1 3.94Å; I413-L415 HydrophobicContact CG2-CG 4.47Å; I413-F426 HydrophobicContact CG2-CD1 4.42Å; I413-Y427 WeakPolarHBondContact CA-O 3.49Å; I413-L438 HydrophobicContact CD1-CD1 3.87Å
414G97.3Very high90.7Very high0 Ų059.8 Ų59.80%029%0.292CS..EExtended strand (participates in β ladder)trans-91.7137.7169.300000110.8W347 F426 Y427W347-G414 WeakPolarHBondContact O-CA 3.28Å; G414-F426 CarbonylContact O-C 3.55Å; G414-F426 WeakPolarHBondContact O-CA 3.45Å; G414-Y427 PolarHBondContact N-O 3.01Å; G414-Y427 PolarHBondContact O-N 2.96Å
415L97.9Very high91.3Very high1 Ų148.5 Ų48.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-122.1127177.2-65.190000108.5Y346 W347 V349 L359 I413 S425 F426Y346-L415 VanDerWaalsContact CA-O 3.3Å; Y346-L415 WeakPolarHBondContact CA-O 3.37Å; Y346-L415 WeakPolarHBondContact CD2-O 3.37Å; W347-L415 HydrophobicContact CD2-CB 3.97Å; W347-L415 HydrophobicContact CE3-CB 4.42Å; W347-L415 HydrophobicContact CG-CB 4.48Å; W347-L415 HydrophobicContact CH2-CB 4.14Å; W347-L415 HydrophobicContact CZ2-CB 3.67Å; W347-L415 HydrophobicContact CZ2-CD2 3.7Å; W347-L415 HydrophobicContact CZ2-CG 4.24Å; W347-L415 HydrophobicContact CZ3-CB 4.5Å; W347-L415 PolarHBondContact N-O 2.98Å; W347-L415 PolarHBondContact O-N 3.35Å; V349-L415 HydrophobicContact CG2-CD1 4.07Å; L359-L415 HydrophobicContact CB-CD2 4.46Å; I413-L415 HydrophobicContact CG2-CD1 3.94Å; I413-L415 HydrophobicContact CG2-CG 4.47Å; L415-S425 WeakPolarHBondContact CA-O 3.4Å; L415-F426 HydrophobicContact CD2-CD1 3.92Å; L415-F426 HydrophobicContact CD2-CE1 3.51Å; L415-F426 HydrophobicContact CD2-CZ 4.4Å; L415-F426 HydrophobicContact CG-CD1 3.91Å; L415-F426 HydrophobicContact CG-CE1 4.04Å
416Y97.6Very high92.6Very high30 Ų3044.1 Ų44.112%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-118.6128.9175.5173.4-103.5000109.9M285 P286 E344 H345 L424 S425M285-Y416 HydrophobicContact CE-CG 4.43Å; M285-Y416 HydrophobicContact SD-CD2 3.74Å; M285-Y416 HydrophobicContact SD-CE2 4.32Å; M285-Y416 HydrophobicContact SD-CG 4.05Å; P286-Y416 HydrophobicContact CG-CD2 4.24Å; P286-Y416 HydrophobicContact CG-CE2 3.72Å; E344-Y416 HydrophobicContact CB-CE2 4.14Å; E344-Y416 WeakPolarHBondContact CG-OH 3.29Å; E344-Y416 PolarHBondContact OE1-OH 2.98Å; H345-Y416 CarbonylContact O-C 3.53Å; H345-Y416 WeakPolarHBondContact O-CA 3.36Å; Y416-L424 CarbonylContact O-C 3.57Å; Y416-L424 WeakPolarHBondContact O-CA 3.29Å; Y416-S425 WeakPolarHBondContact CD1-OG 3.39Å; Y416-S425 PolarHBondContact N-O 3.47Å; Y416-S425 PolarHBondContact O-N 3.47Å
417L97.3Very high93.7Very high1 Ų142.8 Ų42.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-124.3120.4178.1173.958.9000110.1L340 E344 H345 W347 F419 V423 L424 L445 V449L340-L417 HydrophobicContact CD1-CD2 4.23Å; E344-L417 CarbonylContact C-O 3.59Å; E344-L417 VanDerWaalsContact CA-O 3.27Å; E344-L417 WeakPolarHBondContact CA-O 3.48Å; H345-L417 HydrophobicContact CB-CB 4.47Å; H345-L417 PolarHBondContact N-O 3.01Å; H345-L417 PolarHBondContact O-N 2.85Å; W347-L417 HydrophobicContact CH2-CB 4.31Å; W347-L417 HydrophobicContact CZ3-CB 4.12Å; L417-F419 HydrophobicContact CD2-CD2 4.29Å; L417-F419 HydrophobicContact CD2-CE2 3.6Å; L417-F419 HydrophobicContact CD2-CZ 3.82Å; L417-F419 HydrophobicContact CG-CD2 4.25Å; L417-F419 HydrophobicContact CG-CE2 4.05Å; L417-V423 WeakPolarHBondContact CA-O 3.41Å; L417-L424 HydrophobicContact CB-CD1 4.06Å; L417-L424 HydrophobicContact CD1-CB 4.26Å; L417-L424 HydrophobicContact CD1-CD1 4.32Å; L417-L445 HydrophobicContact CD1-CD1 3.5Å; L417-L445 VanDerWaalsContact CD1-CD1 3.5Å; L417-L445 HydrophobicContact CD1-CG 4.4Å; L417-L445 HydrophobicContact CD2-CD1 4.05Å; L417-L445 HydrophobicContact CG-CD1 4.41Å; L417-V449 HydrophobicContact CD2-CG2 3.85Å
418S96.3Very high94.8Very high3 Ų334.2 Ų34.22%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-113113.3167.6172.60000109.5D421 G422 V423S418-D421 WeakPolarHBondContact OG-CB 3.41Å; S418-D421 VanDerWaalsContact OG-CG 3.3Å; S418-D421 PolarHBondContact OG-N 3.19Å; S418-D421 VanDerWaalsContact OG-N 3.09Å; S418-D421 PolarHBondContact OG-OD2 3.38Å; S418-G422 WeakPolarHBondContact O-CA 3.31Å; S418-G422 PolarHBondContact O-N 3.27Å; S418-V423 PolarHBondContact N-O 3.02Å; S418-V423 PolarHBondContact O-N 2.96Å
419F95.2Very high95.3Very high35 Ų3524.2 Ų24.215%0.15413%0.132CC..THydrogen-bonded Turntrans-68.9-36.4173.8-77.3-88000111.9L340 G343 H345 L417 L445 V449L340-F419 HydrophobicContact CB-CE2 4.03Å; L340-F419 HydrophobicContact CB-CZ 4.16Å; L340-F419 WeakPolarHBondContact O-CZ 3.33Å; G343-F419 PolarHBondContact O-N 3.09Å; H345-F419 AromaticContact CD2-CE2 3.88Å; L417-F419 HydrophobicContact CD2-CD2 4.29Å; L417-F419 HydrophobicContact CD2-CE2 3.6Å; L417-F419 HydrophobicContact CD2-CZ 3.82Å; L417-F419 HydrophobicContact CG-CD2 4.25Å; L417-F419 HydrophobicContact CG-CE2 4.05Å; F419-L445 HydrophobicContact CE1-CB 4.41Å; F419-L445 HydrophobicContact CE1-CD1 4.16Å; F419-V449 HydrophobicContact CZ-CG2 4.08Å
420G91.5Very high95.7Very high54 Ų5422.6 Ų22.656%0.55713%0.133SC*.THydrogen-bonded Turntrans-65.3-46.4-179.100000112.2
421D90.6Very high95.5Very high111 Ų11125.7 Ų25.759%0.59415%0.149SC*.THydrogen-bonded Turntrans-83.9-16.9-179.7-55.3-46.2000112.7S418 V423S418-D421 WeakPolarHBondContact OG-CB 3.41Å; S418-D421 VanDerWaalsContact OG-CG 3.3Å; S418-D421 PolarHBondContact OG-N 3.19Å; S418-D421 VanDerWaalsContact OG-N 3.09Å; S418-D421 PolarHBondContact OG-OD2 3.38Å; D421-V423 HydrophobicContact CB-CG2 4.13Å
422G94.6Very high95.1Very high4 Ų426 Ų264%0.04116%0.158CC..THydrogen-bonded Turntrans66.549.2-174.700000111.4S418 H442 E443S418-G422 WeakPolarHBondContact O-CA 3.31Å; S418-G422 PolarHBondContact O-N 3.27Å; G422-H442 CarbonylContact O-C 3.28Å; G422-H442 WeakPolarHBondContact O-CA 3.45Å; G422-E443 CarbonylContact C-O 3.59Å; G422-E443 VanDerWaalsContact C-O 3.28Å; G422-E443 WeakPolarHBondContact CA-O 3.46Å; G422-E443 CarbonylContact O-C 3.52Å; G422-E443 PolarHBondContact O-N 3.46Å
423V96.8Very high94.5Very high28 Ų2827.7 Ų27.717%0.1717%0.171CC..EExtended strand (participates in β ladder)trans-127.8127.8-179177.40000110.2L417 S418 D421 F441L417-V423 WeakPolarHBondContact CA-O 3.41Å; S418-V423 PolarHBondContact N-O 3.02Å; S418-V423 PolarHBondContact O-N 2.96Å; D421-V423 HydrophobicContact CB-CG2 4.13Å; V423-F441 WeakPolarHBondContact CA-O 3.42Å
424L97.8Very high94.1Very high3 Ų327.8 Ų27.82%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-115.9110.4163175.870.4000108V361 W381 Y416 L417 F426 A440 F441V361-L424 HydrophobicContact CG1-CD1 4.31Å; V361-L424 HydrophobicContact CG2-CD2 3.79Å; W381-L424 HydrophobicContact CB-CD2 3.54Å; W381-L424 HydrophobicContact CG-CD2 4.43Å; Y416-L424 CarbonylContact O-C 3.57Å; Y416-L424 WeakPolarHBondContact O-CA 3.29Å; L417-L424 HydrophobicContact CB-CD1 4.06Å; L417-L424 HydrophobicContact CD1-CB 4.26Å; L417-L424 HydrophobicContact CD1-CD1 4.32Å; L424-F426 HydrophobicContact CD2-CE2 3.96Å; L424-F426 HydrophobicContact CD2-CZ 3.79Å; L424-F426 HydrophobicContact CG-CE2 3.9Å; L424-F426 HydrophobicContact CG-CZ 4.05Å; L424-A440 CarbonylContact O-C 3.55Å; L424-A440 VanDerWaalsContact O-CA 3.3Å; L424-A440 WeakPolarHBondContact O-CA 3.46Å; L424-F441 HydrophobicContact CB-CB 4.39Å; L424-F441 HydrophobicContact CB-CD2 4.45Å; L424-F441 HydrophobicContact CD2-CD2 4.06Å; L424-F441 HydrophobicContact CG-CD2 4.47Å; L424-F441 PolarHBondContact N-O 3.22Å; L424-F441 PolarHBondContact O-N 3.04Å
425S97.3Very high93.8Very high5 Ų527.9 Ų27.94%0.03517%0.172CC..EExtended strand (participates in β ladder)trans-116.8148.7-178.848.50000112.5L415 Y416 Y427 F439L415-S425 WeakPolarHBondContact CA-O 3.4Å; Y416-S425 WeakPolarHBondContact CD1-OG 3.39Å; Y416-S425 PolarHBondContact N-O 3.47Å; Y416-S425 PolarHBondContact O-N 3.47Å; S425-Y427 WeakPolarHBondContact CB-OH 3.42Å; S425-Y427 VanDerWaalsContact OG-CE2 3.26Å; S425-Y427 WeakPolarHBondContact OG-CE2 3.44Å; S425-Y427 PolarHBondContact OG-OH 3.44Å; S425-F439 CarbonylContact C-O 3.51Å; S425-F439 WeakPolarHBondContact CA-O 3.34Å
426F97.4Very high93.5Very high0 Ų029.9 Ų29.90%019%0.185CC..EExtended strand (participates in β ladder)trans-120.2139-176.3-60.1-98.7000109.6L359 L383 I413 G414 L415 L424 L438 F439 F441L359-F426 WeakPolarHBondContact O-CE1 3.37Å; L383-F426 HydrophobicContact CB-CD1 3.5Å; L383-F426 HydrophobicContact CB-CD2 4.26Å; L383-F426 HydrophobicContact CB-CE1 3.56Å; L383-F426 HydrophobicContact CB-CE2 4.34Å; L383-F426 HydrophobicContact CB-CG 3.87Å; L383-F426 HydrophobicContact CB-CZ 4Å; L383-F426 HydrophobicContact CD2-CB 3.6Å; L383-F426 HydrophobicContact CD2-CD1 3.82Å; L383-F426 HydrophobicContact CD2-CG 3.8Å; L383-F426 HydrophobicContact CG-CD1 4.3Å; L383-F426 HydrophobicContact CG-CG 4.4Å; I413-F426 HydrophobicContact CG2-CD1 4.42Å; G414-F426 CarbonylContact O-C 3.55Å; G414-F426 WeakPolarHBondContact O-CA 3.45Å; L415-F426 HydrophobicContact CD2-CD1 3.92Å; L415-F426 HydrophobicContact CD2-CE1 3.51Å; L415-F426 HydrophobicContact CD2-CZ 4.4Å; L415-F426 HydrophobicContact CG-CD1 3.91Å; L415-F426 HydrophobicContact CG-CE1 4.04Å; L424-F426 HydrophobicContact CD2-CE2 3.96Å; L424-F426 HydrophobicContact CD2-CZ 3.79Å; L424-F426 HydrophobicContact CG-CE2 3.9Å; L424-F426 HydrophobicContact CG-CZ 4.05Å; F426-L438 HydrophobicContact CB-CB 4.43Å; F426-L438 WeakPolarHBondContact O-CB 3.47Å; F426-L438 PolarHBondContact O-N 2.96Å; F426-F439 HydrophobicContact CD2-CB 4.42Å; F426-F439 HydrophobicContact CD2-CD1 4.25Å; F426-F439 HydrophobicContact CE2-CD1 4.46Å; F426-F439 PolarHBondContact N-O 3.18Å; F426-F439 PolarHBondContact O-N 3.41Å; F426-F441 AromaticContact CE2-CD2 3.73Å; F426-F441 HydrophobicContact CE2-CD2 3.73Å; F426-F441 AromaticContact CE2-CE2 3.59Å; F426-F441 HydrophobicContact CE2-CE2 3.59Å; F426-F441 HydrophobicContact CZ-CD2 4.5Å; F426-F441 HydrophobicContact CZ-CE2 4.11Å
427Y95.4Very high93.3Very high16 Ų1632.9 Ų32.96%0.06321%0.208CC..EExtended strand (participates in β ladder)trans-132146.2-175.3-56.9-88.9000111.3F281 M285 I413 G414 S425 A429 L435 V436 P437F281-Y427 HydrophobicContact CD1-CE1 4.1Å; F281-Y427 HydrophobicContact CE1-CD1 4.25Å; F281-Y427 AromaticContact CE1-CE1 3.35Å; F281-Y427 HydrophobicContact CE1-CE1 3.35Å; F281-Y427 AromaticContact CE1-CZ 3.58Å; F281-Y427 WeakPolarHBondContact CE1-OH 2.96Å; F281-Y427 HydrophobicContact CZ-CE1 4.2Å; M285-Y427 HydrophobicContact CE-CD2 3.92Å; M285-Y427 HydrophobicContact CE-CE1 4.11Å; M285-Y427 HydrophobicContact CE-CE2 3.44Å; M285-Y427 VanDerWaalsContact CE-CE2 3.44Å; M285-Y427 HydrophobicContact CE-CG 4.45Å; I413-Y427 WeakPolarHBondContact CA-O 3.49Å; G414-Y427 PolarHBondContact N-O 3.01Å; G414-Y427 PolarHBondContact O-N 2.96Å; S425-Y427 WeakPolarHBondContact CB-OH 3.42Å; S425-Y427 VanDerWaalsContact OG-CE2 3.26Å; S425-Y427 WeakPolarHBondContact OG-CE2 3.44Å; S425-Y427 PolarHBondContact OG-OH 3.44Å; Y427-A429 PolarHBondContact O-N 2.92Å; Y427-L435 HydrophobicContact CD1-CB 4.05Å; Y427-L435 HydrophobicContact CG-CB 4.28Å; Y427-L435 HydrophobicContact CG-CD1 4.42Å; Y427-V436 CarbonylContact C-O 3.47Å; Y427-V436 WeakPolarHBondContact CA-O 3.28Å; Y427-P437 HydrophobicContact CD1-CB 4.34Å; Y427-P437 HydrophobicContact CD1-CG 4.36Å; Y427-P437 HydrophobicContact CE1-CB 4.2Å; Y427-P437 HydrophobicContact CE1-CG 4.16Å
428D94.7Very high93.1Very high22 Ų2234.5 Ų34.512%0.11822%0.216CC..EExtended strand (participates in β ladder)trans-76.1113.1159.2-174.1-11000107.3P410 S430 V436 L438P410-D428 HydrophobicContact CB-CB 4.27Å; P410-D428 HydrophobicContact CG-CB 4.19Å; D428-S430 WeakPolarHBondContact OD1-CB 3.39Å; D428-S430 PolarHBondContact OD1-N 2.98Å; D428-S430 PolarHBondContact OD1-OG 3.37Å; D428-V436 HydrophobicContact CB-CB 4Å; D428-V436 HydrophobicContact CB-CG2 4.34Å; D428-V436 PolarHBondContact N-O 3.2Å; D428-V436 PolarHBondContact O-N 3.01Å; D428-L438 HydrophobicContact CB-CD1 4.15Å; D428-L438 HydrophobicContact CB-CD2 4.12Å; D428-L438 HydrophobicContact CB-CG 4.2Å
429A94.7Very high93.1Very high0 Ų035.9 Ų35.90%022%0.222CC..EExtended strand (participates in β ladder)trans-110.221.3-179.900000111.5E348 R412 Y427 D431 L435E348-A429 HydrophobicContact CG-CB 4.26Å; R412-A429 HydrophobicContact CB-CB 4.33Å; R412-A429 WeakPolarHBondContact CD-O 3.48Å; R412-A429 HydrophobicContact CG-CB 4.01Å; R412-A429 PolarHBondContact O-N 3.41Å; Y427-A429 PolarHBondContact O-N 2.92Å; A429-D431 PolarHBondContact O-N 3.48Å; A429-L435 HydrophobicContact CB-CD2 3.57Å
430S93.8Very high93.2Very high47 Ų4735.6 Ų35.633%0.32923%0.226SC..EExtended strand (participates in β ladder)trans-64.5-24.6-179.5-50.80000112.7P410 T411 R412 D428P410-S430 WeakPolarHBondContact CA-OG 3.36Å; T411-S430 PolarHBondContact N-OG 3.49Å; T411-S430 PolarHBondContact OG1-OG 3.01Å; R412-S430 PolarHBondContact N-OG 3.33Å; D428-S430 WeakPolarHBondContact OD1-CB 3.39Å; D428-S430 PolarHBondContact OD1-N 2.98Å; D428-S430 PolarHBondContact OD1-OG 3.37Å
431D90.1Very high93.5Very high67 Ų6733.6 Ų33.636%0.35820%0.202SC..EExtended strand (participates in β ladder)trans-91.2120.3168.7-175.2-19.3000109A429 D433 A434A429-D431 PolarHBondContact O-N 3.48Å; D431-D433 PolarHBondContact O-N 2.95Å; D431-D433 VanDerWaalsContact O-N 3.11Å; D431-D433 PolarHBondContact OD1-N 3.35Å; D431-A434 HydrophobicContact CB-CB 4.09Å; D431-A434 PolarHBondContact O-N 3.27Å; D431-A434 VanDerWaalsContact O-O 3.05Å
432A86.9Confident93.7Very high64 Ų6435.4 Ų35.453%0.52921%0.207SC..THydrogen-bonded Turntrans-62.2-18.9-178.300000113.5R282R282-A432 WeakPolarHBondContact CD-O 3.39Å; R282-A432 PolarHBondContact NE-O 3.3Å
433D84.7Confident93.6Very high90 Ų9038.8 Ų38.848%0.48122%0.222SC..THydrogen-bonded Turntrans-101.7-15.4179.6-72.1-18.8000113.2K279 R282 D431K279-D433 VanDerWaalsContact CA-O 3.29Å; K279-D433 WeakPolarHBondContact CA-O 3.45Å; K279-D433 HydrophobicContact CD-CB 3.94Å; K279-D433 HydrophobicContact CG-CB 4.15Å; K279-D433 WeakPolarHBondContact CG-O 3.32Å; K279-D433 IonicContact NZ-OD2 3.94Å; K279-D433 PolarHBondContact NZ-OD2 2.97Å; R282-D433 WeakPolarHBondContact CD-O 3.41Å; D431-D433 PolarHBondContact O-N 2.95Å; D431-D433 VanDerWaalsContact O-N 3.11Å; D431-D433 PolarHBondContact OD1-N 3.35Å
434A88.1Confident93.3Very high3 Ų347 Ų473%0.02525%0.25CC..EExtended strand (participates in β ladder)trans-138.8139.5-164.600000113.4R278 K279 D431R278-A434 HydrophobicContact CB-CB 3.93Å; K279-A434 HydrophobicContact CG-CB 4.21Å; D431-A434 HydrophobicContact CB-CB 4.09Å; D431-A434 PolarHBondContact O-N 3.27Å; D431-A434 VanDerWaalsContact O-O 3.05Å
435L91.8Very high93Very high1 Ų148 Ų481%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-107.6131.5173.4-66.9179.3000111.4R278 F281 R282 M285 Y346 Y427 A429R278-L435 WeakPolarHBondContact CG-O 3.3Å; R278-L435 PolarHBondContact O-N 3.02Å; F281-L435 HydrophobicContact CD1-CB 4.46Å; R282-L435 HydrophobicContact CB-CD1 4.11Å; R282-L435 HydrophobicContact CB-CG 3.94Å; R282-L435 HydrophobicContact CG-CD1 4.15Å; R282-L435 HydrophobicContact CG-CG 4.03Å; R282-L435 VanDerWaalsContact NH1-CD2 3.32Å; M285-L435 HydrophobicContact CE-CD1 3.54Å; M285-L435 HydrophobicContact CG-CD1 3.69Å; M285-L435 HydrophobicContact SD-CD1 4.5Å; Y346-L435 HydrophobicContact CE2-CD1 4.24Å; Y346-L435 WeakPolarHBondContact OH-CD2 3.39Å; Y427-L435 HydrophobicContact CD1-CB 4.05Å; Y427-L435 HydrophobicContact CG-CB 4.28Å; Y427-L435 HydrophobicContact CG-CD1 4.42Å; A429-L435 HydrophobicContact CB-CD2 3.57Å
436V91.4Very high92.5Very high44 Ų4453 Ų5327%0.26729%0.287SS..EExtended strand (participates in β ladder)trans-105.1124.7168.5-168.30000109.2Y427 D428 L438Y427-V436 CarbonylContact C-O 3.47Å; Y427-V436 WeakPolarHBondContact CA-O 3.28Å; D428-V436 HydrophobicContact CB-CB 4Å; D428-V436 HydrophobicContact CB-CG2 4.34Å; D428-V436 PolarHBondContact N-O 3.2Å; D428-V436 PolarHBondContact O-N 3.01Å; V436-L438 PolarHBondContact O-N 3.49Å
437P92.8Very high92.3Very high93 Ų9354.3 Ų54.360%0.60430%0.3SS*.EExtended strand (participates in β ladder)trans-61.6129.8173.3-20.531.9000111.7Y427Y427-P437 HydrophobicContact CD1-CB 4.34Å; Y427-P437 HydrophobicContact CD1-CG 4.36Å; Y427-P437 HydrophobicContact CE1-CB 4.2Å; Y427-P437 HydrophobicContact CE1-CG 4.16Å
438L94.1Very high92.4Very high34 Ų3456.1 Ų56.118%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-105.3-51.8174.7-64.9175.8000111.5L383 L391 P410 I413 F426 D428 V436L383-L438 HydrophobicContact CD2-CB 4.39Å; L383-L438 HydrophobicContact CD2-CD1 4.1Å; L391-L438 HydrophobicContact CD2-CB 4.21Å; L391-L438 HydrophobicContact CD2-CD1 4.12Å; L391-L438 HydrophobicContact CD2-CD2 4.02Å; L391-L438 HydrophobicContact CD2-CG 4.35Å; P410-L438 HydrophobicContact CG-CD1 4.31Å; I413-L438 HydrophobicContact CD1-CD1 3.87Å; F426-L438 HydrophobicContact CB-CB 4.43Å; F426-L438 WeakPolarHBondContact O-CB 3.47Å; F426-L438 PolarHBondContact O-N 2.96Å; D428-L438 HydrophobicContact CB-CD1 4.15Å; D428-L438 HydrophobicContact CB-CD2 4.12Å; D428-L438 HydrophobicContact CB-CG 4.2Å; V436-L438 PolarHBondContact O-N 3.49Å
439F96Very high92.6Very high32 Ų3255.1 Ų55.114%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-160.5158.7-176-172.4-104000111.4L383 A393 V395 L403 S425 F426 F441L383-F439 HydrophobicContact CD1-CB 4.16Å; A393-F439 HydrophobicContact CB-CD1 3.68Å; A393-F439 HydrophobicContact CB-CD2 3.81Å; A393-F439 HydrophobicContact CB-CE1 3.61Å; A393-F439 HydrophobicContact CB-CE2 3.72Å; A393-F439 HydrophobicContact CB-CG 3.79Å; A393-F439 HydrophobicContact CB-CZ 3.63Å; V395-F439 HydrophobicContact CG1-CE1 4.38Å; V395-F439 HydrophobicContact CG1-CE2 4.45Å; V395-F439 HydrophobicContact CG1-CZ 3.69Å; L403-F439 HydrophobicContact CD1-CB 3.77Å; L403-F439 HydrophobicContact CD1-CD2 4.17Å; L403-F439 HydrophobicContact CD1-CG 4.18Å; L403-F439 HydrophobicContact CD2-CD2 3.69Å; L403-F439 HydrophobicContact CD2-CE2 4.22Å; L403-F439 HydrophobicContact CD2-CG 4.48Å; S425-F439 CarbonylContact C-O 3.51Å; S425-F439 WeakPolarHBondContact CA-O 3.34Å; F426-F439 HydrophobicContact CD2-CB 4.42Å; F426-F439 HydrophobicContact CD2-CD1 4.25Å; F426-F439 HydrophobicContact CE2-CD1 4.46Å; F426-F439 PolarHBondContact N-O 3.18Å; F426-F439 PolarHBondContact O-N 3.41Å; F439-F441 HydrophobicContact CD1-CD2 4.19Å; F439-F441 AromaticContact CD1-CE2 3.97Å; F439-F441 HydrophobicContact CD1-CE2 3.97Å; F439-F441 HydrophobicContact CD1-CZ 4.3Å; F439-F441 AromaticContact CE1-CD1 3.94Å; F439-F441 HydrophobicContact CE1-CD1 3.94Å; F439-F441 AromaticContact CE1-CD2 3.81Å; F439-F441 HydrophobicContact CE1-CD2 3.81Å; F439-F441 AromaticContact CE1-CE1 3.76Å; F439-F441 HydrophobicContact CE1-CE1 3.76Å; F439-F441 AromaticContact CE1-CE2 3.63Å; F439-F441 HydrophobicContact CE1-CE2 3.63Å; F439-F441 AromaticContact CE1-CG 3.95Å; F439-F441 HydrophobicContact CE1-CG 3.95Å; F439-F441 AromaticContact CE1-CZ 3.61Å; F439-F441 HydrophobicContact CE1-CZ 3.61Å; F439-F441 HydrophobicContact CZ-CE1 4.38Å
440A97.1Very high92.7Very high30 Ų3057.7 Ų57.725%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-150134.8172.500000112.5L424 H442L424-A440 CarbonylContact O-C 3.55Å; L424-A440 VanDerWaalsContact O-CA 3.3Å; L424-A440 WeakPolarHBondContact O-CA 3.46Å; A440-H442 PolarHBondContact O-ND1 3.11Å
441F97.1Very high93Very high12 Ų1255.5 Ų55.55%0.05330%0.304CS..EExtended strand (participates in β ladder)trans-85.7135.1162.9-61.4-86.7000108.9P376 W381 H394 V395 V423 L424 F426 F439P376-F441 HydrophobicContact CG-CD1 4.39Å; P376-F441 HydrophobicContact CG-CE1 4.08Å; W381-F441 HydrophobicContact CB-CD2 4.04Å; W381-F441 HydrophobicContact CB-CE2 3.94Å; W381-F441 HydrophobicContact CB-CG 4.49Å; W381-F441 HydrophobicContact CB-CZ 4.3Å; W381-F441 AromaticContact CD1-CD1 3.85Å; W381-F441 AromaticContact CD1-CG 3.88Å; H394-F441 WeakPolarHBondContact O-CZ 3.41Å; V395-F441 HydrophobicContact CG1-CE1 4.23Å; V423-F441 WeakPolarHBondContact CA-O 3.42Å; L424-F441 HydrophobicContact CB-CB 4.39Å; L424-F441 HydrophobicContact CB-CD2 4.45Å; L424-F441 HydrophobicContact CD2-CD2 4.06Å; L424-F441 HydrophobicContact CG-CD2 4.47Å; L424-F441 PolarHBondContact N-O 3.22Å; L424-F441 PolarHBondContact O-N 3.04Å; F426-F441 AromaticContact CE2-CD2 3.73Å; F426-F441 HydrophobicContact CE2-CD2 3.73Å; F426-F441 AromaticContact CE2-CE2 3.59Å; F426-F441 HydrophobicContact CE2-CE2 3.59Å; F426-F441 HydrophobicContact CZ-CD2 4.5Å; F426-F441 HydrophobicContact CZ-CE2 4.11Å; F439-F441 HydrophobicContact CD1-CD2 4.19Å; F439-F441 AromaticContact CD1-CE2 3.97Å; F439-F441 HydrophobicContact CD1-CE2 3.97Å; F439-F441 HydrophobicContact CD1-CZ 4.3Å; F439-F441 AromaticContact CE1-CD1 3.94Å; F439-F441 HydrophobicContact CE1-CD1 3.94Å; F439-F441 AromaticContact CE1-CD2 3.81Å; F439-F441 HydrophobicContact CE1-CD2 3.81Å; F439-F441 AromaticContact CE1-CE1 3.76Å; F439-F441 HydrophobicContact CE1-CE1 3.76Å; F439-F441 AromaticContact CE1-CE2 3.63Å; F439-F441 HydrophobicContact CE1-CE2 3.63Å; F439-F441 AromaticContact CE1-CG 3.95Å; F439-F441 HydrophobicContact CE1-CG 3.95Å; F439-F441 AromaticContact CE1-CZ 3.61Å; F439-F441 HydrophobicContact CE1-CZ 3.61Å; F439-F441 HydrophobicContact CZ-CE1 4.38Å
442H96Very high93.4Very high149 Ų14952.4 Ų52.469%0.6929%0.287SS*.EExtended strand (participates in β ladder)trans-120.172.6178.7-64.781.7000108.6G422 A440G422-H442 CarbonylContact O-C 3.28Å; G422-H442 WeakPolarHBondContact O-CA 3.45Å; A440-H442 PolarHBondContact O-ND1 3.11Å
443E91.2Very high93.9Very high75 Ų7549.4 Ų49.435%0.3526%0.262SS..SBendtrans-149.7145.5178.664.7-170.8138.600110.6P376 W381 G422 L445P376-E443 WeakPolarHBondContact CB-OE1 3.37Å; W381-E443 PolarHBondContact NE1-OE1 3.37Å; G422-E443 CarbonylContact C-O 3.59Å; G422-E443 VanDerWaalsContact C-O 3.28Å; G422-E443 WeakPolarHBondContact CA-O 3.46Å; G422-E443 CarbonylContact O-C 3.52Å; G422-E443 PolarHBondContact O-N 3.46Å; E443-L445 PolarHBondContact O-N 2.86Å
444R91.4Very high94.5Very high200 Ų20046.9 Ų46.976%0.75525%0.249SC*.  trans-74.6123174.9-72.8-177.9178.7176.4-0.8109.4
445L91.4Very high94.9Very high24 Ų2446.8 Ų46.813%0.12625%0.247CC..  trans-63.8140.6175.3-58.6-179.3000110V361 W381 L417 F419 E443 G447 V449V361-L445 HydrophobicContact CG2-CD1 4.4Å; W381-L445 HydrophobicContact CD2-CD2 3.66Å; W381-L445 VanDerWaalsContact CE2-CD2 3.46Å; W381-L445 HydrophobicContact CE3-CD2 3.94Å; W381-L445 HydrophobicContact CG-CD2 4.29Å; W381-L445 HydrophobicContact CH2-CD2 3.85Å; W381-L445 HydrophobicContact CZ2-CD2 3.59Å; W381-L445 HydrophobicContact CZ3-CD2 4.01Å; L417-L445 HydrophobicContact CD1-CD1 3.5Å; L417-L445 VanDerWaalsContact CD1-CD1 3.5Å; L417-L445 HydrophobicContact CD1-CG 4.4Å; L417-L445 HydrophobicContact CD2-CD1 4.05Å; L417-L445 HydrophobicContact CG-CD1 4.41Å; F419-L445 HydrophobicContact CE1-CB 4.41Å; F419-L445 HydrophobicContact CE1-CD1 4.16Å; E443-L445 PolarHBondContact O-N 2.86Å; L445-G447 PolarHBondContact O-N 2.86Å; L445-V449 HydrophobicContact CB-CG1 4.48Å; L445-V449 HydrophobicContact CD1-CG1 3.8Å; L445-V449 HydrophobicContact CD1-CG2 4.07Å
446P87Confident95Very high110 Ų11048 Ų4871%0.71426%0.256SS*.SBendtrans-73.5-8.1-173.129.3-35.8000114.2W381W381-P446 HydrophobicContact CH2-CG 4.07Å
447G93.5Very high95Very high27 Ų2752.1 Ų52.128%0.27827%0.267SS..SBendtrans173.6-163-178.100000112.2L445L445-G447 PolarHBondContact O-N 2.86Å
448P97.3Very high94.9Very high54 Ų5448.4 Ų48.435%0.35124%0.241SC..  trans-59.8146.7177.1-2132.4000111.9Q339 L340 A364Q339-P448 HydrophobicContact CG-CB 3.83Å; L340-P448 CarbonylContact O-C 3.54Å; L340-P448 VanDerWaalsContact O-CA 3.25Å; L340-P448 WeakPolarHBondContact O-CA 3.43Å; A364-P448 HydrophobicContact CB-CB 4.11Å; A364-P448 VanDerWaalsContact CB-O 3.27Å; A364-P448 WeakPolarHBondContact CB-O 3.38Å; A364-P448 PolarHBondContact N-O 3.46Å
449V97.9Very high94.6Very high1 Ų149 Ų491%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-131.3159.6179.5-59.30000111.1L340 V361 I362 W381 L417 F419 L445L340-V449 HydrophobicContact CB-CG2 4.31Å; L340-V449 PolarHBondContact N-O 2.91Å; L340-V449 PolarHBondContact O-N 2.88Å; V361-V449 HydrophobicContact CB-CB 4.09Å; V361-V449 HydrophobicContact CB-CG2 3.97Å; V361-V449 HydrophobicContact CG1-CG2 4.16Å; V361-V449 HydrophobicContact CG2-CB 4.34Å; V361-V449 HydrophobicContact CG2-CG1 4.41Å; V361-V449 HydrophobicContact CG2-CG2 4.24Å; I362-V449 CarbonylContact O-C 3.52Å; I362-V449 WeakPolarHBondContact O-CA 3.46Å; I362-V449 VanDerWaalsContact O-CB 3.28Å; I362-V449 WeakPolarHBondContact O-CB 3.4Å; W381-V449 HydrophobicContact CZ3-CG1 4.44Å; L417-V449 HydrophobicContact CD2-CG2 3.85Å; F419-V449 HydrophobicContact CZ-CG2 4.08Å; L445-V449 HydrophobicContact CB-CG1 4.48Å; L445-V449 HydrophobicContact CD1-CG1 3.8Å; L445-V449 HydrophobicContact CD1-CG2 4.07Å
450Y98.3Very high94.1Very high55 Ų5556.2 Ų56.222%0.21628%0.276CS..EExtended strand (participates in β ladder)trans-110138.9166-67.3-83.6000109.8V335 A336 Q338 Q339 V361 I362 A364 F452V335-Y450 HydrophobicContact CB-CG 4.41Å; V335-Y450 HydrophobicContact CG2-CG 4.49Å; A336-Y450 WeakPolarHBondContact O-CD1 3.38Å; Q338-Y450 WeakPolarHBondContact O-CD1 3.36Å; Q339-Y450 HydrophobicContact CB-CD1 4.11Å; Q339-Y450 HydrophobicContact CB-CE1 3.5Å; Q339-Y450 HydrophobicContact CG-CE1 4.05Å; Q339-Y450 HydrophobicContact CG-CE2 4.31Å; Q339-Y450 PolarHBondContact NE2-OH 2.92Å; Q339-Y450 VanDerWaalsContact NE2-OH 3.12Å; V361-Y450 VanDerWaalsContact CA-O 3.31Å; V361-Y450 WeakPolarHBondContact CA-O 3.37Å; I362-Y450 PolarHBondContact N-O 3.15Å; I362-Y450 PolarHBondContact O-N 3.48Å; A364-Y450 HydrophobicContact CB-CD2 4.25Å; A364-Y450 HydrophobicContact CB-CE2 3.86Å; Y450-F452 PolarHBondContact O-N 3.45Å
451P98.4Very high93.7Very high0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans-51.3130160.1-25.434.6000110.1L291 V335 A336 Q338 L340 W347 F453L291-P451 HydrophobicContact CD1-CB 3.95Å; L291-P451 HydrophobicContact CD1-CG 3.76Å; L291-P451 HydrophobicContact CD2-CG 4.23Å; V335-P451 CarbonylContact C-O 3.53Å; V335-P451 VanDerWaalsContact CA-O 3.24Å; V335-P451 WeakPolarHBondContact CA-O 3.38Å; V335-P451 WeakPolarHBondContact CB-O 3.47Å; A336-P451 HydrophobicContact CB-CB 3.88Å; A336-P451 HydrophobicContact CB-CG 3.98Å; A336-P451 PolarHBondContact N-O 3.16Å; Q338-P451 WeakPolarHBondContact O-CD 3.36Å; L340-P451 HydrophobicContact CD1-CG 3.92Å; L340-P451 HydrophobicContact CG-CG 4.35Å; W347-P451 HydrophobicContact CH2-CG 4.47Å; W347-P451 HydrophobicContact CZ2-CB 4.03Å; W347-P451 HydrophobicContact CZ2-CG 4.19Å; P451-F453 HydrophobicContact CB-CE2 3.78Å; P451-F453 HydrophobicContact CB-CZ 3.63Å; P451-F453 WeakPolarHBondContact O-CE2 3.47Å
452F98.5Very high93.3Very high3 Ų362.7 Ų62.71%0.01331%0.308CS..EExtended strand (participates in β ladder)trans-121.9136.7-171.4176.4-87.4000110.9F328 A333 V335 G360 I362 L372 L380 L382 Y450 D454F328-F452 AromaticContact CE1-CE2 3.83Å; F328-F452 HydrophobicContact CE1-CE2 3.83Å; F328-F452 HydrophobicContact CE2-CE2 4.31Å; F328-F452 AromaticContact CZ-CD2 3.92Å; F328-F452 HydrophobicContact CZ-CD2 3.92Å; F328-F452 AromaticContact CZ-CE2 3.53Å; F328-F452 HydrophobicContact CZ-CE2 3.53Å; A333-F452 HydrophobicContact CB-CE1 4.33Å; A333-F452 HydrophobicContact CB-CE2 3.64Å; A333-F452 HydrophobicContact CB-CZ 3.47Å; A333-F452 VanDerWaalsContact CB-CZ 3.47Å; V335-F452 HydrophobicContact CG1-CD2 4.06Å; G360-F452 PolarHBondContact N-O 3.46Å; G360-F452 VanDerWaalsContact N-O 3.08Å; G360-F452 PolarHBondContact O-N 3.17Å; I362-F452 HydrophobicContact CB-CB 4.07Å; I362-F452 HydrophobicContact CB-CD2 3.94Å; I362-F452 HydrophobicContact CB-CG 4.24Å; I362-F452 HydrophobicContact CD1-CD2 4.11Å; I362-F452 HydrophobicContact CD1-CE2 4.22Å; I362-F452 HydrophobicContact CG2-CB 4Å; I362-F452 HydrophobicContact CG2-CD2 3.89Å; I362-F452 HydrophobicContact CG2-CG 4.36Å; L372-F452 HydrophobicContact CD1-CE2 4.39Å; L372-F452 HydrophobicContact CD1-CZ 4.4Å; L380-F452 HydrophobicContact CD2-CD1 4.37Å; L380-F452 HydrophobicContact CD2-CD2 4.35Å; L380-F452 HydrophobicContact CD2-CE1 4.36Å; L380-F452 HydrophobicContact CD2-CE2 4.35Å; L380-F452 HydrophobicContact CD2-CG 4.35Å; L380-F452 HydrophobicContact CD2-CZ 4.35Å; L382-F452 HydrophobicContact CD1-CD1 4.09Å; L382-F452 HydrophobicContact CD1-CE1 3.72Å; L382-F452 HydrophobicContact CD2-CB 4.43Å; L382-F452 HydrophobicContact CD2-CD1 3.4Å; L382-F452 HydrophobicContact CD2-CE1 3.94Å; L382-F452 HydrophobicContact CD2-CG 4.2Å; L382-F452 HydrophobicContact CG-CD1 4.41Å; Y450-F452 PolarHBondContact O-N 3.45Å; F452-D454 HydrophobicContact CE1-CB 3.84Å; F452-D454 HydrophobicContact CZ-CB 4.3Å
453F98.5Very high93.2Very high1 Ų155.6 Ų55.60%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-135.6104.1-174.1-45.7-91.8000110.1L291 F293 A333 V334 A336 V349 L359 P451 L467 L469L291-F453 HydrophobicContact CD1-CZ 4.49Å; F293-F453 AromaticContact CD1-CD2 3.78Å; F293-F453 HydrophobicContact CD1-CD2 3.78Å; F293-F453 HydrophobicContact CD1-CE2 4.03Å; F293-F453 HydrophobicContact CD1-CG 4.22Å; F293-F453 HydrophobicContact CE1-CB 4.11Å; F293-F453 AromaticContact CE1-CD1 3.82Å; F293-F453 HydrophobicContact CE1-CD1 3.82Å; F293-F453 AromaticContact CE1-CD2 3.56Å; F293-F453 HydrophobicContact CE1-CD2 3.56Å; F293-F453 HydrophobicContact CE1-CE1 4.11Å; F293-F453 AromaticContact CE1-CE2 3.86Å; F293-F453 HydrophobicContact CE1-CE2 3.86Å; F293-F453 AromaticContact CE1-CG 3.55Å; F293-F453 HydrophobicContact CE1-CG 3.55Å; F293-F453 HydrophobicContact CE1-CZ 4.14Å; A333-F453 CarbonylContact C-O 3.38Å; A333-F453 WeakPolarHBondContact CA-O 3.3Å; A333-F453 WeakPolarHBondContact CB-O 3.37Å; V334-F453 HydrophobicContact CG1-CB 4.03Å; V334-F453 HydrophobicContact CG1-CD2 4.39Å; V334-F453 PolarHBondContact N-O 3.28Å; V334-F453 WeakPolarHBondContact O-CD2 3.45Å; V334-F453 PolarHBondContact O-N 3.43Å; A336-F453 HydrophobicContact CB-CE2 4.05Å; V349-F453 HydrophobicContact CG2-CD1 4.18Å; V349-F453 HydrophobicContact CG2-CE1 3.68Å; L359-F453 HydrophobicContact CD2-CB 4.41Å; L359-F453 HydrophobicContact CD2-CD1 3.75Å; P451-F453 HydrophobicContact CB-CE2 3.78Å; P451-F453 HydrophobicContact CB-CZ 3.63Å; P451-F453 WeakPolarHBondContact O-CE2 3.47Å; F453-L467 HydrophobicContact CB-CD1 4.22Å; F453-L469 HydrophobicContact CE1-CD2 3.7Å; F453-L469 HydrophobicContact CZ-CD2 3.73Å
454D97.6Very high93.3Very high37 Ų3754.1 Ų54.120%0.19827%0.273CS..EExtended strand (participates in β ladder)trans-89.1108.8167.5-167.8-28.1000109A333 W357 A358 F452 C456A333-D454 HydrophobicContact CB-CB 4.36Å; W357-D454 WeakPolarHBondContact CA-O 3.36Å; A358-D454 HydrophobicContact CB-CB 3.96Å; A358-D454 PolarHBondContact N-O 3.27Å; A358-D454 PolarHBondContact O-N 3.39Å; F452-D454 HydrophobicContact CE1-CB 3.84Å; F452-D454 HydrophobicContact CZ-CB 4.3Å; D454-C456 PolarHBondContact O-N 3.08Å; D454-C456 VanDerWaalsContact OD1-CA 3.32Å; D454-C456 WeakPolarHBondContact OD1-CA 3.49Å; D454-C456 PolarHBondContact OD1-N 3.05Å; D454-C456 PolarHBondContact OD1-SG 3.19Å
455V96.3Very high93.4Very high0 Ų046.4 Ų46.40%025%0.245CC..  trans-77.3-14.6-179.2-172.40000110.8L302 V311 C313 V332 K354 N463 L467L302-V455 HydrophobicContact CD1-CG2 3.99Å; L302-V455 HydrophobicContact CD2-CB 3.75Å; L302-V455 HydrophobicContact CD2-CG1 4.08Å; L302-V455 HydrophobicContact CD2-CG2 3.75Å; V311-V455 HydrophobicContact CG1-CG2 3.85Å; V311-V455 HydrophobicContact CG2-CG2 4.12Å; C313-V455 HydrophobicContact CB-CG1 4.13Å; V332-V455 PolarHBondContact O-N 3.12Å; K354-V455 WeakPolarHBondContact CE-O 3.5Å; K354-V455 PolarHBondContact NZ-O 3.16Å; V455-N463 PolarHBondContact O-ND2 3.11Å; V455-N463 VanDerWaalsContact O-ND2 3.08Å; V455-L467 HydrophobicContact CG2-CD1 4.06Å
456C94.2Very high93.7Very high28 Ų2846.9 Ų46.919%0.18925%0.25CC..  trans58162.2-171-68.30000113.4V332 R356 D454 N463V332-C456 WeakPolarHBondContact CG1-O 3.46Å; R356-C456 HydrophobicContact CB-CB 3.9Å; D454-C456 PolarHBondContact O-N 3.08Å; D454-C456 VanDerWaalsContact OD1-CA 3.32Å; D454-C456 WeakPolarHBondContact OD1-CA 3.49Å; D454-C456 PolarHBondContact OD1-N 3.05Å; D454-C456 PolarHBondContact OD1-SG 3.19Å; C456-N463 WeakPolarHBondContact CB-ND2 3.44Å
457W90.7Very high94.2Very high129 Ų12941.7 Ų41.749%0.48922%0.216SC..  trans-63.5141.4-178.8-176.4-112.4000112.6V332 D459 N463V332-W457 HydrophobicContact CG2-CE3 4.15Å; W457-D459 VanDerWaalsContact CD1-N 3.25Å; W457-D459 PolarHBondContact O-N 3.38Å; W457-N463 WeakPolarHBondContact O-CB 3.4Å; W457-N463 PolarHBondContact O-ND2 3.38Å
458H89.8Confident94.4Very high15 Ų1543.4 Ų43.47%0.06922%0.219CC..  trans-54.9-33-179.3-177.6-104.5000114.1C313 E315 K460 G461 K462 N463 S464C313-H458 HydrophobicContact CB-CB 4.2Å; C313-H458 PolarHBondContact O-CD2 3.43Å; C313-H458 PolarHBondContact SG-N 3.35Å; E315-H458 WeakPolarHBondContact CB-CE1 3.32Å; E315-H458 IonicContact OE2-CE1 3.16Å; H458-K460 PolarHBondContact O-N 3.28Å; H458-G461 WeakPolarHBondContact CE1-CA 3.34Å; H458-G461 PolarHBondContact CE1-N 3.05Å; H458-G461 PolarHBondContact ND1-N 3.13Å; H458-G461 PolarHBondContact O-N 3.03Å; H458-K462 PolarHBondContact O-N 2.65Å; H458-N463 PolarHBondContact O-N 2.84Å; H458-S464 WeakPolarHBondContact NE2-CB 3.15Å
459D87.9Confident94.4Very high47 Ų4741.3 Ų41.325%0.25120%0.204SC..THydrogen-bonded Turntrans48.857.6178.8-170.623.2000113.9R356 W457 G461 K462R356-D459 IonicContact CZ-OD2 3.46Å; R356-D459 IonicContact NH1-OD2 3.28Å; R356-D459 VanDerWaalsContact NH2-CG 3.25Å; R356-D459 IonicContact NH2-OD2 2.93Å; R356-D459 PolarHBondContact NH2-OD2 2.89Å; W457-D459 VanDerWaalsContact CD1-N 3.25Å; W457-D459 PolarHBondContact O-N 3.38Å; D459-G461 PolarHBondContact O-N 3.01Å; D459-G461 VanDerWaalsContact O-N 3.14Å; D459-K462 HydrophobicContact CB-CB 4.3Å; D459-K462 WeakPolarHBondContact O-CB 3.43Å; D459-K462 WeakPolarHBondContact O-CG 3.38Å; D459-K462 PolarHBondContact O-N 3.12Å
460K86.8Confident94.2Very high184 Ų18442.9 Ų42.980%0.821%0.214SC*.THydrogen-bonded Turntrans51.440.2176.2-55.5-178.4179.7-178.80113.2H458H458-K460 PolarHBondContact O-N 3.28Å
461G87.4Confident93.4Very high32 Ų3241.1 Ų41.133%0.3321%0.212SC..THydrogen-bonded Turntrans93.2-8.5177.300000114.4H458 D459 N463 S464H458-G461 WeakPolarHBondContact CE1-CA 3.34Å; H458-G461 PolarHBondContact CE1-N 3.05Å; H458-G461 PolarHBondContact ND1-N 3.13Å; H458-G461 PolarHBondContact O-N 3.03Å; D459-G461 PolarHBondContact O-N 3.01Å; D459-G461 VanDerWaalsContact O-N 3.14Å; G461-N463 VanDerWaalsContact C-N 3.28Å; G461-N463 PolarHBondContact O-N 3.1Å; G461-S464 PolarHBondContact O-OG 3.36Å
462K89.8Confident91.6Very high146 Ų14643.9 Ų43.964%0.63523%0.231SC*.THydrogen-bonded Turntrans-72.1-21.4-179.1-66.3-179.9179.8177.70113.5P355 H458 D459P355-K462 WeakPolarHBondContact CG-O 3.39Å; H458-K462 PolarHBondContact O-N 2.65Å; D459-K462 HydrophobicContact CB-CB 4.3Å; D459-K462 WeakPolarHBondContact O-CB 3.43Å; D459-K462 WeakPolarHBondContact O-CG 3.38Å; D459-K462 PolarHBondContact O-N 3.12Å
463N93.5Very high89.1Confident0 Ų053.8 Ų53.80%028%0.278CS..THydrogen-bonded Turntrans-130.635.6-180-164.752.6000111.6K354 P355 R356 V455 C456 W457 H458 G461 Q465K354-N463 VanDerWaalsContact CG-OD1 3.25Å; K354-N463 WeakPolarHBondContact CG-OD1 3.44Å; K354-N463 PolarHBondContact NZ-ND2 3.14Å; K354-N463 PolarHBondContact NZ-O 3.3Å; P355-N463 WeakPolarHBondContact CD-OD1 3.49Å; P355-N463 HydrophobicContact CG-CB 4.3Å; P355-N463 WeakPolarHBondContact CG-OD1 3.46Å; R356-N463 PolarHBondContact N-OD1 3.42Å; R356-N463 PolarHBondContact O-ND2 3.43Å; R356-N463 VanDerWaalsContact O-ND2 3.08Å; R356-N463 PolarHBondContact O-OD1 3.28Å; R356-N463 VanDerWaalsContact O-OD1 3.12Å; V455-N463 PolarHBondContact O-ND2 3.11Å; V455-N463 VanDerWaalsContact O-ND2 3.08Å; C456-N463 WeakPolarHBondContact CB-ND2 3.44Å; W457-N463 WeakPolarHBondContact O-CB 3.4Å; W457-N463 PolarHBondContact O-ND2 3.38Å; H458-N463 PolarHBondContact O-N 2.84Å; G461-N463 VanDerWaalsContact C-N 3.28Å; G461-N463 PolarHBondContact O-N 3.1Å; N463-Q465 VanDerWaalsContact C-N 3.32Å
464S92.4Very high86.2Confident43 Ų4357 Ų5730%0.30131%0.311SS..  trans-74.6-18.9-175.259.40000114.4H458 G461H458-S464 WeakPolarHBondContact NE2-CB 3.15Å; G461-S464 PolarHBondContact O-OG 3.36Å
465Q95.1Very high83.1Confident39 Ų3959.9 Ų59.918%0.18234%0.34CS..PPolyproline II helixtrans-55.9140.6-178.5-6482-2.300111.2D353 K354 N463D353-Q465 VanDerWaalsContact OD1-CG 3.3Å; D353-Q465 WeakPolarHBondContact OD1-CG 3.36Å; D353-Q465 PolarHBondContact OD2-NE2 3.33Å; K354-Q465 HydrophobicContact CB-CB 3.66Å; K354-Q465 HydrophobicContact CB-CG 4.39Å; K354-Q465 HydrophobicContact CD-CB 4.49Å; K354-Q465 VanDerWaalsContact CD-O 3.31Å; K354-Q465 WeakPolarHBondContact CD-O 3.39Å; K354-Q465 WeakPolarHBondContact CE-O 3.32Å; K354-Q465 HydrophobicContact CG-CB 3.98Å; K354-Q465 PolarHBondContact NZ-O 3.25Å; N463-Q465 VanDerWaalsContact C-N 3.32Å
466P96.4Very high79.9Confident34 Ų3469.4 Ų69.422%0.22138%0.384CS..PPolyproline II helixtrans-75.3165.4178.332.3-36.2000112R310 V311 E312 L468R310-P466 HydrophobicContact CG-CB 3.92Å; V311-P466 CarbonylContact O-C 3.51Å; V311-P466 VanDerWaalsContact O-CA 3.23Å; V311-P466 WeakPolarHBondContact O-CA 3.27Å; V311-P466 WeakPolarHBondContact O-CB 3.47Å; E312-P466 HydrophobicContact CB-CB 4.08Å; P466-L468 HydrophobicContact CB-CD2 4.18Å; P466-L468 HydrophobicContact CG-CD2 4.17Å
467L98.2Very high76.8Confident0 Ų076.5 Ų76.50%045%0.445CS..EExtended strand (participates in β ladder)trans-99.2138.2155.3-61-178.7000108.7R310 V311 V349 V351 K354 W357 L359 F453 V455R310-L467 WeakPolarHBondContact CA-O 3.45Å; V311-L467 HydrophobicContact CG1-CB 3.9Å; V311-L467 PolarHBondContact N-O 3.42Å; V311-L467 PolarHBondContact O-N 3.23Å; V349-L467 HydrophobicContact CG1-CB 4.2Å; V349-L467 HydrophobicContact CG1-CD2 4.45Å; V351-L467 HydrophobicContact CB-CD2 4.27Å; V351-L467 HydrophobicContact CG1-CD2 3.87Å; K354-L467 HydrophobicContact CD-CD2 3.66Å; K354-L467 HydrophobicContact CD-CG 4.19Å; W357-L467 HydrophobicContact CB-CD2 4.31Å; L359-L467 HydrophobicContact CD2-CD1 4Å; F453-L467 HydrophobicContact CB-CD1 4.22Å; V455-L467 HydrophobicContact CG2-CD1 4.06Å
468L97.8Very high76.1Confident64 Ų6473.9 Ų73.934%0.33544%0.443SS..EExtended strand (participates in β ladder)trans-121.1129.8177.7-46.2170.1000110.2R309 R310 V349 E350 P466R309-L468 CarbonylContact O-C 3.58Å; R309-L468 VanDerWaalsContact O-CA 3.3Å; R309-L468 WeakPolarHBondContact O-CA 3.31Å; R310-L468 HydrophobicContact CB-CD2 3.49Å; R310-L468 VanDerWaalsContact CB-CD2 3.49Å; R310-L468 HydrophobicContact CG-CD2 3.42Å; R310-L468 VanDerWaalsContact CG-CD2 3.42Å; V349-L468 CarbonylContact C-O 3.51Å; V349-L468 WeakPolarHBondContact CA-O 3.41Å; E350-L468 HydrophobicContact CB-CB 3.95Å; E350-L468 HydrophobicContact CB-CD1 4.32Å; E350-L468 HydrophobicContact CB-CG 4.43Å; E350-L468 HydrophobicContact CG-CD1 4.48Å; E350-L468 PolarHBondContact N-O 3.16Å; E350-L468 PolarHBondContact O-N 3.17Å; P466-L468 HydrophobicContact CB-CD2 4.18Å; P466-L468 HydrophobicContact CG-CD2 4.17Å
469L97.4Very high75.4Confident10 Ų1077 Ų775%0.05246%0.463CS..EExtended strand (participates in β ladder)trans-79.7123.3168-75.1167.6000109L291 F293 R309 V349 F453L291-L469 HydrophobicContact CB-CD1 3.87Å; L291-L469 HydrophobicContact CB-CD2 4.08Å; L291-L469 HydrophobicContact CD1-CD2 4.31Å; F293-L469 HydrophobicContact CD1-CD1 3.9Å; F293-L469 HydrophobicContact CD2-CD1 4.01Å; F293-L469 HydrophobicContact CE1-CD1 3.73Å; F293-L469 HydrophobicContact CE1-CG 3.93Å; F293-L469 HydrophobicContact CE2-CD1 3.85Å; F293-L469 HydrophobicContact CE2-CG 3.92Å; F293-L469 HydrophobicContact CG-CD1 4.04Å; F293-L469 HydrophobicContact CZ-CD1 3.71Å; F293-L469 HydrophobicContact CZ-CD2 4.44Å; F293-L469 HydrophobicContact CZ-CG 3.56Å; R309-L469 HydrophobicContact CB-CB 4.36Å; R309-L469 HydrophobicContact CG-CB 4.46Å; R309-L469 PolarHBondContact O-N 3.19Å; V349-L469 HydrophobicContact CG2-CD2 4.21Å; F453-L469 HydrophobicContact CE1-CD2 3.7Å; F453-L469 HydrophobicContact CZ-CD2 3.73Å
470V93Very high74.7Confident34 Ų3478.7 Ų78.721%0.20647%0.474CS..  trans-74.4129.3173.9-174.40000107.8L288 E348L288-V470 HydrophobicContact CD2-CB 4.22Å; L288-V470 HydrophobicContact CD2-CG1 3.86Å; E348-V470 HydrophobicContact CB-CB 3.91Å; E348-V470 HydrophobicContact CB-CG2 3.79Å; E348-V470 PolarHBondContact O-N 3.05Å
471G80.8Confident74Confident17 Ų1772.5 Ų72.518%0.17546%0.455CS..  trans-110.5169.417200000111.3E473G471-E473 PolarHBondContact O-N 3.09Å
472S60.7Low73.2Confident58 Ų5875 Ų7541%0.40646%0.463SS..  trans-55.6130.7168.2640000109.2E290 G474E290-S472 PolarHBondContact OE1-OG 3.38Å; S472-G474 PolarHBondContact O-N 2.98Å
473E46.4Very low72.1Confident212 Ų21270.3 Ų70.399%0.99145%0.452SS*.SBendtrans-62.5106.2176.1-79.1-171.4157.900109.1G471G471-E473 PolarHBondContact O-N 3.09Å
474G38.1Very low70.5Confident67 Ų6775.3 Ų75.369%0.69148%0.484SS*.  trans-163.193177.600000109.8S472S472-G474 PolarHBondContact O-N 2.98Å
475A32.2Very low68.8Low98 Ų9877.8 Ų77.881%0.8150%0.498SS*.  trans77.781.2167.300000118.2
476E29.2Very low66.7Low200 Ų20081 Ų8194%0.93552%0.524SS*.  -135.7104.1128.2-72.4-168.6163.400107.7
477A29.8Very low64Low178 Ų17885.3 Ų85.3100%1.47155%0.552SS**  trans-98.60163.300000108.6

Retrieved 477 of 477 residues in 110.4 ms (Link to these results)

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