A0A087XHV4_POEFO Loading...

AFG2 AAA ATPase homolog B

AlphaFold DB , UniProt , Accession A0A087XHV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 748 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
1M48Very low71.9Confident230 Ų23087.3 Ų87.3100%1.13346%0.464SS*.  0101.40-70178.2-173.400105.9
2E60.2Low72Confident116 Ų11688.6 Ų88.654%0.54248%0.481SS..PPolyproline II helixtrans-82.6119.2-175.9-70.3-180169.700109.4
3S71.1Confident72Confident69 Ų6982.7 Ų82.748%0.48345%0.449SS..PPolyproline II helixtrans-74.8120.7170.359.60000109.2L82S3-L82 CarbonylContact C-O 3.57Å
4L76.6Confident72.1Confident3 Ų388.1 Ų88.12%0.01646%0.46CS..EExtended strand (participates in β ladder)trans-84.8128178.1-66.3166.6000110.6L25 G59 S81 L82 L87L4-L25 HydrophobicContact CD1-CD1 3.81Å; L4-L25 HydrophobicContact CD2-CD1 3.7Å; L4-L25 HydrophobicContact CG-CD1 4.17Å; L4-G59 WeakPolarHBondContact CA-O 3.49Å; L4-S81 CarbonylContact O-C 3.56Å; L4-S81 VanDerWaalsContact O-CA 3.25Å; L4-S81 WeakPolarHBondContact O-CA 3.34Å; L4-L82 HydrophobicContact CB-CB 4.34Å; L4-L82 PolarHBondContact N-O 3.24Å; L4-L82 PolarHBondContact O-N 2.94Å; L4-L87 HydrophobicContact CD1-CD1 3.64Å
5R78.1Confident72Confident167 Ų16782.9 Ų82.963%0.6344%0.435SS*.EExtended strand (participates in β ladder)trans-88.9126172.6-69.9-174.1-178.3179.61.9111.1G59 F60 L61R5-G59 PolarHBondContact N-O 3.44Å; R5-F60 HydrophobicContact CB-CD1 3.92Å; R5-F60 HydrophobicContact CB-CE1 4.18Å; R5-F60 WeakPolarHBondContact O-CA 3.44Å; R5-L61 PolarHBondContact O-N 3.03Å
6L78.4Confident72.3Confident16 Ų1680.1 Ų80.18%0.08443%0.425CS..EExtended strand (participates in β ladder)trans-72.1128.9172.5-170.285.4000110.6L61 M63 L76 L80L6-L61 CarbonylContact C-O 3.57Å; L6-L61 WeakPolarHBondContact CA-O 3.34Å; L6-L61 HydrophobicContact CD1-CD2 4.36Å; L6-M63 HydrophobicContact CD1-CE 3.3Å; L6-M63 HydrophobicContact CD1-CG 3.94Å; L6-M63 HydrophobicContact CD1-SD 3.83Å; L6-L76 HydrophobicContact CD2-CB 4.27Å; L6-L76 HydrophobicContact CD2-CD1 4.03Å; L6-L76 HydrophobicContact CD2-CD2 4.36Å; L6-L76 HydrophobicContact CD2-CG 4.47Å; L6-L80 HydrophobicContact CB-CB 4.19Å; L6-L80 WeakPolarHBondContact CB-O 3.32Å; L6-L80 HydrophobicContact CD2-CB 4.37Å; L6-L80 PolarHBondContact N-O 2.98Å
7L77.8Confident72.9Confident68 Ų6875.8 Ų75.836%0.35640%0.402SS..EExtended strand (participates in β ladder)trans-113.9157.6172.7-72.6172.2000110.9F60 L61 Q62L7-F60 HydrophobicContact CD1-CB 3.93Å; L7-F60 HydrophobicContact CD1-CD1 3.54Å; L7-F60 HydrophobicContact CD1-CE1 4.29Å; L7-F60 HydrophobicContact CD1-CG 3.91Å; L7-F60 HydrophobicContact CG-CD1 3.97Å; L7-L61 PolarHBondContact N-O 3.43Å; L7-Q62 HydrophobicContact CB-CG 3.82Å
8S74.3Confident73.6Confident101 Ų10176.4 Ų76.471%0.70640%0.398SS*.PPolyproline II helixtrans-62.5146.5173.456.40000111.6
9V75.2Confident74.2Confident31 Ų3172.4 Ų72.419%0.18838%0.377CS..PPolyproline II helixtrans-70.6136.4179.2-168.60000110.7D13 R14 M63 D64V9-D13 HydrophobicContact CG1-CB 4.03Å; V9-R14 HydrophobicContact CG1-CG 4.2Å; V9-M63 VanDerWaalsContact CG2-C 3.49Å; V9-M63 WeakPolarHBondContact CG2-O 3.46Å; V9-D64 HydrophobicContact CG1-CB 4.18Å
10D77.8Confident74.7Confident56 Ų5670.8 Ų70.830%0.29937%0.365SS..PPolyproline II helixtrans-67.1144.1173.4-62.8-40.1000110.3P12 D13 R14 Q62D10-P12 VanDerWaalsContact C-N 3.32Å; D10-P12 HydrophobicContact CB-CG 4.28Å; D10-P12 VanDerWaalsContact O-N 3.17Å; D10-D13 PolarHBondContact O-N 3.05Å; D10-R14 PolarHBondContact O-N 3.04Å; D10-Q62 PolarHBondContact OD1-NE2 3.14Å; D10-Q62 PolarHBondContact OD2-NE2 3.42Å
11P73.3Confident75.3Confident103 Ų10367.4 Ų67.467%0.66935%0.348SS*.G310 helixtrans-48.3-40.3179.1-23.431000115.9D13P11-D13 VanDerWaalsContact C-N 3.32Å; P11-D13 PolarHBondContact O-N 3.08Å
12P73.3Confident77Confident103 Ų10356.7 Ų56.767%0.66930%0.296SS*.G310 helixtrans-76.3-15.2-179.331-38.1000114.6D10D10-P12 VanDerWaalsContact C-N 3.32Å; D10-P12 HydrophobicContact CB-CG 4.28Å; D10-P12 VanDerWaalsContact O-N 3.17Å
13D72.6Confident78.1Confident12 Ų1253.4 Ų53.46%0.06429%0.285CS..G310 helixtrans-98.4-3.1180-78.7-25.1000112.3V9 D10 P11 G15 S16 R18 R20 D64V9-D13 HydrophobicContact CG1-CB 4.03Å; D10-D13 PolarHBondContact O-N 3.05Å; P11-D13 VanDerWaalsContact C-N 3.32Å; P11-D13 PolarHBondContact O-N 3.08Å; D13-G15 PolarHBondContact O-N 3.31Å; D13-S16 WeakPolarHBondContact CA-OG 3.29Å; D13-S16 PolarHBondContact O-N 3.08Å; D13-S16 PolarHBondContact O-OG 3.48Å; D13-R18 IonicContact OD1-NH1 3.45Å; D13-R18 PolarHBondContact OD1-NH1 2.96Å; D13-R20 IonicContact OD1-CZ 3.8Å; D13-R20 IonicContact OD1-NE 3.82Å; D13-R20 IonicContact OD1-NH2 2.89Å; D13-R20 PolarHBondContact OD1-NH2 3.16Å; D13-R20 IonicContact OD2-CZ 3.39Å; D13-R20 IonicContact OD2-NE 2.77Å; D13-R20 PolarHBondContact OD2-NE 2.93Å; D13-R20 IonicContact OD2-NH2 3.15Å; D13-R20 PolarHBondContact OD2-NH2 2.87Å; D13-R20 VanDerWaalsContact OD2-NH2 3.15Å; D13-D64 WeakPolarHBondContact O-CB 3.37Å
14R72.8Confident78.6Confident159 Ų15951.8 Ų51.860%0.628%0.279SS*.THydrogen-bonded Turntrans-58.5136.6170.9-68.5-173.4179.1-172.2-0.7110V9 D10 S16V9-R14 HydrophobicContact CG1-CG 4.2Å; D10-R14 PolarHBondContact O-N 3.04Å; R14-S16 PolarHBondContact O-N 3.25Å
15G70.9Confident78.8Confident9 Ų952.5 Ų52.59%0.09328%0.283CS..THydrogen-bonded Turntrans46.322.3-175.300000116.9D13 Q17 D64 K66 E141D13-G15 PolarHBondContact O-N 3.31Å; G15-Q17 VanDerWaalsContact C-N 3.35Å; G15-D64 VanDerWaalsContact C-OD2 3.28Å; G15-D64 WeakPolarHBondContact CA-OD2 3.39Å; G15-D64 PolarHBondContact N-OD1 2.95Å; G15-D64 PolarHBondContact N-OD2 3.23Å; G15-K66 VanDerWaalsContact O-CD 3.24Å; G15-K66 WeakPolarHBondContact O-CD 3.4Å; G15-K66 VanDerWaalsContact O-CE 3.31Å; G15-K66 WeakPolarHBondContact O-CE 3.24Å; G15-K66 PolarHBondContact O-NZ 3.31Å; G15-E141 WeakPolarHBondContact CA-OE1 3.33Å; G15-E141 VanDerWaalsContact CA-OE2 3.28Å; G15-E141 WeakPolarHBondContact CA-OE2 3.18Å; G15-E141 PolarHBondContact N-OE1 2.89Å
16S76.1Confident79Confident38 Ų3845.2 Ų45.227%0.26626%0.256SS..THydrogen-bonded Turntrans-87.3-5.8168.4710000113D13 R14 R18 D64D13-S16 WeakPolarHBondContact CA-OG 3.29Å; D13-S16 PolarHBondContact O-N 3.08Å; D13-S16 PolarHBondContact O-OG 3.48Å; R14-S16 PolarHBondContact O-N 3.25Å; S16-R18 PolarHBondContact O-N 2.91Å; S16-R18 WeakPolarHBondContact OG-CB 3.15Å; S16-R18 WeakPolarHBondContact OG-CD 3.29Å; S16-R18 WeakPolarHBondContact OG-CG 3.42Å; S16-R18 PolarHBondContact OG-N 3.39Å; S16-D64 PolarHBondContact N-OD2 3.42Å; S16-D64 VanDerWaalsContact N-OD2 3.11Å
17Q82.5Confident79.2Confident7 Ų748.9 Ų48.93%0.03328%0.283CS..THydrogen-bonded Turntrans5923.5-173.5-160.6174.713.300112.9G15 L47 C48 T49 D64 K66 C67 Y130G15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-L47 VanDerWaalsContact CG-O 3.32Å; Q17-L47 WeakPolarHBondContact CG-O 3.24Å; Q17-L47 PolarHBondContact NE2-O 2.93Å; Q17-C48 CarbonylContact O-C 3.48Å; Q17-T49 PolarHBondContact O-N 3.43Å; Q17-T49 PolarHBondContact O-OG1 3.16Å; Q17-D64 PolarHBondContact N-OD2 3.3Å; Q17-K66 HydrophobicContact CB-CB 3.99Å; Q17-K66 HydrophobicContact CB-CD 3.99Å; Q17-K66 HydrophobicContact CG-CB 4.24Å; Q17-C67 PolarHBondContact NE2-SG 3.23Å; Q17-Y130 PolarHBondContact NE2-O 2.97Å
18R85.4Confident79.4Confident88 Ų8850.1 Ų50.133%0.33230%0.298SS..EExtended strand (participates in β ladder)trans-89.3141.2-178.8-65.4178.4179.8162.4-0.7111.1D13 S16 W51 D64D13-R18 IonicContact OD1-NH1 3.45Å; D13-R18 PolarHBondContact OD1-NH1 2.96Å; S16-R18 PolarHBondContact O-N 2.91Å; S16-R18 WeakPolarHBondContact OG-CB 3.15Å; S16-R18 WeakPolarHBondContact OG-CD 3.29Å; S16-R18 WeakPolarHBondContact OG-CG 3.42Å; S16-R18 PolarHBondContact OG-N 3.39Å; R18-W51 HydrophobicContact CG-CG 4.33Å; R18-D64 PolarHBondContact O-N 3.43Å; R18-D64 VanDerWaalsContact O-N 3.09Å
19C84.8Confident79.7Confident0 Ų047.4 Ų47.40%028%0.275CS..EExtended strand (participates in β ladder)trans-120.2119.6169178.50000109C48 T49 W51 L61 Q62 M63C19-C48 HydrophobicContact CB-CB 3.44Å; C19-C48 VanDerWaalsContact CB-CB 3.44Å; C19-T49 PolarHBondContact N-O 2.92Å; C19-W51 PolarHBondContact O-N 2.94Å; C19-L61 WeakPolarHBondContact SG-CD1 3.48Å; C19-Q62 CarbonylContact C-O 3.55Å; C19-Q62 VanDerWaalsContact CA-O 3.23Å; C19-Q62 WeakPolarHBondContact CA-O 3.29Å; C19-Q62 PolarHBondContact SG-O 3.14Å; C19-M63 HydrophobicContact CB-CB 4.3Å
20R85.9Confident79.9Confident39 Ų3949 Ų4915%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-89.7122.6179.5-57.1-69.3-178.1169.6-1.3110D13 W51 P52 R53 Q62D13-R20 IonicContact OD1-CZ 3.8Å; D13-R20 IonicContact OD1-NE 3.82Å; D13-R20 IonicContact OD1-NH2 2.89Å; D13-R20 PolarHBondContact OD1-NH2 3.16Å; D13-R20 IonicContact OD2-CZ 3.39Å; D13-R20 IonicContact OD2-NE 2.77Å; D13-R20 PolarHBondContact OD2-NE 2.93Å; D13-R20 IonicContact OD2-NH2 3.15Å; D13-R20 PolarHBondContact OD2-NH2 2.87Å; D13-R20 VanDerWaalsContact OD2-NH2 3.15Å; R20-W51 CarbonylContact C-O 3.59Å; R20-W51 VanDerWaalsContact CA-O 3.25Å; R20-W51 WeakPolarHBondContact CA-O 3.45Å; R20-P52 VanDerWaalsContact CD-O 3.31Å; R20-P52 WeakPolarHBondContact CD-O 3.36Å; R20-P52 PolarHBondContact NH1-O 3.18Å; R20-R53 HydrophobicContact CB-CB 4.33Å; R20-R53 HydrophobicContact CB-CG 4.22Å; R20-Q62 HydrophobicContact CB-CB 4.16Å; R20-Q62 PolarHBondContact N-O 2.91Å; R20-Q62 PolarHBondContact O-N 3.38Å
21L86.1Confident80Confident1 Ų147.2 Ų47.21%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-125.3156.3-176.6-63.4157.2000110.3L25 M26 L31 L37 A50 W51 P52 R53 L61 L87L21-L25 HydrophobicContact CD2-CD2 3.62Å; L21-L25 HydrophobicContact CG-CD2 4.49Å; L21-M26 HydrophobicContact CB-CG 3.69Å; L21-M26 HydrophobicContact CB-SD 4.26Å; L21-M26 HydrophobicContact CD1-CG 4Å; L21-L31 HydrophobicContact CD1-CD1 4.24Å; L21-L37 HydrophobicContact CD1-CD2 3.97Å; L21-A50 HydrophobicContact CD1-CB 3.79Å; L21-W51 PolarHBondContact N-O 2.93Å; L21-P52 WeakPolarHBondContact O-CA 3.44Å; L21-R53 PolarHBondContact O-N 3.04Å; L21-L61 HydrophobicContact CD2-CD1 3.13Å; L21-L61 HydrophobicContact CG-CD1 4.07Å; L21-L87 HydrophobicContact CD2-CD1 4.38Å
22G85.1Confident80.3Confident4 Ų452.5 Ų52.54%0.04129%0.294CS..  trans-67.7144167.200000111.5G24 L25 M26G22-G24 VanDerWaalsContact C-N 3.34Å; G22-G24 PolarHBondContact O-N 2.78Å; G22-L25 PolarHBondContact O-N 3.09Å; G22-M26 PolarHBondContact O-N 2.82Å; G22-M26 VanDerWaalsContact O-N 3.07Å
23P81.9Confident80.7Confident48 Ų4853.4 Ų53.431%0.31229%0.293SS..Hα-helixtrans-64.1-32.3-176.525.2-34.1000114M26 S27 L56P23-M26 PolarHBondContact O-N 2.83Å; P23-S27 PolarHBondContact O-N 3.06Å; P23-S27 VanDerWaalsContact O-N 3.1Å; P23-S27 PolarHBondContact O-OG 3.25Å; P23-L56 HydrophobicContact CG-CD2 4.21Å
24G81.7Confident81Confident34 Ų3453.7 Ų53.735%0.35130%0.299SS..Hα-helixtrans-64.1-41.2174.300000112.5G22 S27 S28 E58G22-G24 VanDerWaalsContact C-N 3.34Å; G22-G24 PolarHBondContact O-N 2.78Å; G24-S27 PolarHBondContact O-N 2.89Å; G24-S28 PolarHBondContact O-N 3.32Å; G24-E58 WeakPolarHBondContact CA-OE1 3.34Å; G24-E58 PolarHBondContact N-OE1 3.03Å
25L80.9Confident81.5Confident19 Ų1947.3 Ų47.310%0.09928%0.278CS..Hα-helixtrans-72.5-33.4178.2-170136.6000113.2L4 L21 G22 S27 S28 L29 T84 L87L4-L25 HydrophobicContact CD1-CD1 3.81Å; L4-L25 HydrophobicContact CD2-CD1 3.7Å; L4-L25 HydrophobicContact CG-CD1 4.17Å; L21-L25 HydrophobicContact CD2-CD2 3.62Å; L21-L25 HydrophobicContact CG-CD2 4.49Å; G22-L25 PolarHBondContact O-N 3.09Å; L25-S27 VanDerWaalsContact C-N 3.3Å; L25-S28 WeakPolarHBondContact CA-OG 3.42Å; L25-S28 PolarHBondContact O-OG 3.25Å; L25-L29 HydrophobicContact CD2-CD1 3.6Å; L25-L29 HydrophobicContact CG-CD1 4.25Å; L25-L29 WeakPolarHBondContact O-CB 2.97Å; L25-L29 WeakPolarHBondContact O-CG 3.07Å; L25-L29 PolarHBondContact O-N 3.2Å; L25-T84 HydrophobicContact CD1-CG2 3.94Å; L25-L87 HydrophobicContact CD2-CD1 3.9Å
26M82.1Confident82.1Confident13 Ų1347.9 Ų47.96%0.06428%0.28CS..Hα-helixtrans-62.9-40.2170.4-71.1-177.672.600111.6L21 G22 P23 G30 L31 L33 A50 P52L21-M26 HydrophobicContact CB-CG 3.69Å; L21-M26 HydrophobicContact CB-SD 4.26Å; L21-M26 HydrophobicContact CD1-CG 4Å; G22-M26 PolarHBondContact O-N 2.82Å; G22-M26 VanDerWaalsContact O-N 3.07Å; P23-M26 PolarHBondContact O-N 2.83Å; M26-G30 PolarHBondContact O-N 2.8Å; M26-L31 PolarHBondContact O-N 3.42Å; M26-L33 HydrophobicContact CE-CD2 4.31Å; M26-A50 HydrophobicContact CE-CB 4.14Å; M26-P52 HydrophobicContact SD-CB 4.17Å
27S82.9Confident82.5Confident94 Ų9446 Ų4666%0.65727%0.268SS*.Hα-helixtrans-69.7-40179.7-56.90000111.8P23 G24 L25 L29 G30P23-S27 PolarHBondContact O-N 3.06Å; P23-S27 VanDerWaalsContact O-N 3.1Å; P23-S27 PolarHBondContact O-OG 3.25Å; G24-S27 PolarHBondContact O-N 2.89Å; L25-S27 VanDerWaalsContact C-N 3.3Å; S27-L29 VanDerWaalsContact C-N 3.32Å; S27-L29 PolarHBondContact O-N 3.27Å; S27-G30 PolarHBondContact O-N 3.43Å; S27-G30 VanDerWaalsContact O-N 3.16Å
28S82.8Confident82.6Confident94 Ų9447.4 Ų47.466%0.65728%0.275SS*.Hα-helixtrans-66.5-33177.768.40000113G24 L25 G30G24-S28 PolarHBondContact O-N 3.32Å; L25-S28 WeakPolarHBondContact CA-OG 3.42Å; L25-S28 PolarHBondContact O-OG 3.25Å; S28-G30 VanDerWaalsContact C-N 3.33Å
29L78.8Confident82.5Confident43 Ų4343.2 Ų43.223%0.22526%0.259CS..THydrogen-bonded Turntrans-85-2.3175.1-67171.9000113.5L25 S27 L31 L87L25-L29 HydrophobicContact CD2-CD1 3.6Å; L25-L29 HydrophobicContact CG-CD1 4.25Å; L25-L29 WeakPolarHBondContact O-CB 2.97Å; L25-L29 WeakPolarHBondContact O-CG 3.07Å; L25-L29 PolarHBondContact O-N 3.2Å; S27-L29 VanDerWaalsContact C-N 3.32Å; S27-L29 PolarHBondContact O-N 3.27Å; L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 HydrophobicContact CB-CD1 3.68Å; L29-L31 HydrophobicContact CB-CG 3.71Å; L29-L31 HydrophobicContact CD1-CD1 3.87Å; L29-L31 HydrophobicContact CG-CD1 4.45Å; L29-L31 PolarHBondContact O-N 3.5Å; L29-L87 HydrophobicContact CD1-CB 3.97Å; L29-L87 HydrophobicContact CD1-CD1 4.04Å
30G79.6Confident82.2Confident64 Ų6445.5 Ų45.566%0.6628%0.275SS*.THydrogen-bonded Turntrans66.924.6-179.500000114.4M26 S27 S28M26-G30 PolarHBondContact O-N 2.8Å; S27-G30 PolarHBondContact O-N 3.43Å; S27-G30 VanDerWaalsContact O-N 3.16Å; S28-G30 VanDerWaalsContact C-N 3.33Å
31L80.9Confident81.7Confident20 Ų2044.3 Ų44.311%0.10527%0.272CS..PPolyproline II helixtrans-83.9136.7-174.2-61.9169.7000111L21 M26 L29 S35 L37 A50 P89L21-L31 HydrophobicContact CD1-CD1 4.24Å; M26-L31 PolarHBondContact O-N 3.42Å; L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 HydrophobicContact CB-CD1 3.68Å; L29-L31 HydrophobicContact CB-CG 3.71Å; L29-L31 HydrophobicContact CD1-CD1 3.87Å; L29-L31 HydrophobicContact CG-CD1 4.45Å; L29-L31 PolarHBondContact O-N 3.5Å; L31-S35 WeakPolarHBondContact CB-OG 3.39Å; L31-S35 WeakPolarHBondContact CD2-OG 3.38Å; L31-L37 HydrophobicContact CD1-CD1 3.67Å; L31-L37 HydrophobicContact CD2-CD1 4.09Å; L31-A50 HydrophobicContact CB-CB 4.33Å; L31-A50 HydrophobicContact CD1-CB 4.04Å; L31-P89 HydrophobicContact CD2-CB 3.9Å
32R80.1Confident80.6Confident213 Ų21349.1 Ų49.180%0.80430%0.303SS*.PPolyproline II helixtrans-96.4162169.8-64.9-175.4-175.8-177.31.3109.6G34 S35R32-G34 PolarHBondContact O-N 3.26Å; R32-G34 VanDerWaalsContact O-N 3.14Å; R32-S35 PolarHBondContact N-OG 2.9Å; R32-S35 WeakPolarHBondContact O-CB 3.34Å; R32-S35 PolarHBondContact O-N 2.74Å; R32-S35 PolarHBondContact O-OG 3.3Å
33L80.9Confident79.5Confident123 Ų12350.9 Ų50.964%0.64432%0.321SS*.THydrogen-bonded Turntrans-52.6123.1173.4-64.2174.4000110.3M26 S35 P52M26-L33 HydrophobicContact CE-CD2 4.31Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-P52 HydrophobicContact CD2-CG 3.78Å
34G78.1Confident79.1Confident17 Ų1749.6 Ų49.618%0.17532%0.316CS..THydrogen-bonded Turntrans78.98.9-18000000115.2R32 A50R32-G34 PolarHBondContact O-N 3.26Å; R32-G34 VanDerWaalsContact O-N 3.14Å; G34-A50 PolarHBondContact N-O 2.81Å
35S83.4Confident78.9Confident25 Ų2549 Ų4918%0.17531%0.307CS..  trans-67.6135.8173.460.70000110.9L31 R32 L33 A50L31-S35 WeakPolarHBondContact CB-OG 3.39Å; L31-S35 WeakPolarHBondContact CD2-OG 3.38Å; R32-S35 PolarHBondContact N-OG 2.9Å; R32-S35 WeakPolarHBondContact O-CB 3.34Å; R32-S35 PolarHBondContact O-N 2.74Å; R32-S35 PolarHBondContact O-OG 3.3Å; L33-S35 VanDerWaalsContact C-N 3.34Å; S35-A50 PolarHBondContact O-N 2.87Å
36P83.4Confident78.9Confident21 Ų2148.1 Ų48.114%0.13630%0.302CS..EExtended strand (participates in β ladder)trans-65.7135.717628.4-37.8000111.9C48 A90 C92 Y130P36-C48 CarbonylContact C-O 3.33Å; P36-C48 WeakPolarHBondContact CA-O 2.95Å; P36-A90 WeakPolarHBondContact CG-O 3.36Å; P36-A90 PolarHBondContact O-N 3.49Å; P36-C92 VanDerWaalsContact CB-SG 3.56Å; P36-C92 HydrophobicContact CG-CB 4.1Å; P36-C92 VanDerWaalsContact CG-SG 3.57Å; P36-Y130 HydrophobicContact CB-CD1 4.08Å; P36-Y130 HydrophobicContact CB-CE1 4.28Å; P36-Y130 HydrophobicContact CG-CE1 4.4Å
37L85.2Confident79Confident0 Ų047.5 Ų47.50%030%0.299CS..EExtended strand (participates in β ladder)trans-129.9125.8-176-172.676.7000108.8L21 L31 V39 C48 L87L21-L37 HydrophobicContact CD1-CD2 3.97Å; L31-L37 HydrophobicContact CD1-CD1 3.67Å; L31-L37 HydrophobicContact CD2-CD1 4.09Å; L37-V39 HydrophobicContact CD2-CG2 3.97Å; L37-V39 HydrophobicContact CG-CG2 4.31Å; L37-C48 PolarHBondContact N-O 3.46Å; L37-C48 PolarHBondContact O-N 3.38Å; L37-L87 HydrophobicContact CD1-CB 4.31Å; L37-L87 HydrophobicContact CD2-CD2 4.02Å
38L83.8Confident79Confident35 Ų3543 Ų4318%0.18327%0.268CS..EExtended strand (participates in β ladder)trans-93.5119.3169.8-176.670.5000108.8S88 A90 F135L38-S88 PolarHBondContact N-O 2.77Å; L38-S88 PolarHBondContact O-N 3.18Å; L38-A90 HydrophobicContact CB-CB 4.47Å; L38-F135 HydrophobicContact CD1-CE2 4.13Å; L38-F135 HydrophobicContact CD1-CZ 3.78Å
39V83.6Confident79.2Confident0 Ų039 Ų390%024%0.24CC..EExtended strand (participates in β ladder)trans-104115.6176.9-174.90000108.5L37 L41 S45 C46 M63 L82 L87L37-V39 HydrophobicContact CD2-CG2 3.97Å; L37-V39 HydrophobicContact CG-CG2 4.31Å; V39-L41 HydrophobicContact CG1-CG 4.4Å; V39-S45 CarbonylContact O-C 3.53Å; V39-S45 WeakPolarHBondContact O-CA 3.26Å; V39-C46 PolarHBondContact N-O 3.27Å; V39-C46 PolarHBondContact O-N 3.22Å; V39-M63 HydrophobicContact CB-CE 4.38Å; V39-M63 HydrophobicContact CG1-CE 3.59Å; V39-M63 HydrophobicContact CG1-SD 4.19Å; V39-M63 HydrophobicContact CG2-CE 4.33Å; V39-L82 HydrophobicContact CG1-CD1 4.27Å; V39-L87 HydrophobicContact CB-CD2 4.08Å; V39-L87 HydrophobicContact CG1-CD2 3.8Å; V39-L87 HydrophobicContact CG2-CD2 3.67Å
40S78.3Confident79.6Confident48 Ų4837 Ų3734%0.33623%0.229SC..EExtended strand (participates in β ladder)trans-90.4120.3172.559.50000110.9Q86S40-Q86 PolarHBondContact N-O 2.96Å; S40-Q86 WeakPolarHBondContact O-CB 3.23Å; S40-Q86 VanDerWaalsContact OG-CA 3.24Å; S40-Q86 WeakPolarHBondContact OG-CA 3.47Å; S40-Q86 WeakPolarHBondContact OG-CB 3.26Å; S40-Q86 PolarHBondContact OG-O 2.83Å; S40-Q86 VanDerWaalsContact OG-O 3.06Å
41L75.9Confident79.9Confident15 Ų1537.8 Ų37.88%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-104.7158.9175.8-61.7151.5000109.1V39 G43 G44 M63 L72 L76 L80 L82V39-L41 HydrophobicContact CG1-CG 4.4Å; L41-G43 PolarHBondContact O-N 3.28Å; L41-G44 CarbonylContact C-O 3.54Å; L41-G44 WeakPolarHBondContact CA-O 3.39Å; L41-G44 WeakPolarHBondContact CB-O 3.29Å; L41-G44 PolarHBondContact N-O 2.97Å; L41-G44 PolarHBondContact O-N 3.1Å; L41-G44 VanDerWaalsContact O-N 3.16Å; L41-M63 HydrophobicContact CD1-SD 4.28Å; L41-M63 HydrophobicContact CD2-SD 4.33Å; L41-L72 HydrophobicContact CD1-CD1 3.7Å; L41-L72 HydrophobicContact CD1-CD2 4.18Å; L41-L76 HydrophobicContact CD1-CD2 3.56Å; L41-L76 HydrophobicContact CD2-CD2 3.94Å; L41-L76 HydrophobicContact CG-CD2 4.34Å; L41-L80 HydrophobicContact CD2-CD2 3.45Å; L41-L80 VanDerWaalsContact CD2-CD2 3.45Å; L41-L82 HydrophobicContact CD2-CD1 3.93Å; L41-L82 HydrophobicContact CD2-CD2 4.09Å
42P62.5Low80.1Confident102 Ų10238.8 Ų38.866%0.66222%0.22SC*.THydrogen-bonded Turntrans-69.725.1178.325.7-29.9000114.9L80P42-L80 HydrophobicContact CG-CD1 3.58Å; P42-L80 HydrophobicContact CG-CD2 4.1Å; P42-L80 HydrophobicContact CG-CG 4.38Å
43G62.5Low80.2Confident41 Ų4129.6 Ų29.642%0.42319%0.185SC..THydrogen-bonded Turntrans-157.712.8175.100000113.5L41 S71L41-G43 PolarHBondContact O-N 3.28Å; G43-S71 WeakPolarHBondContact O-CB 3.34Å
44G73.1Confident80.1Confident20 Ų2028.1 Ų28.121%0.20618%0.183CC..EExtended strand (participates in β ladder)trans154.2-177.5-179.200000113L41 T69L41-G44 CarbonylContact C-O 3.54Å; L41-G44 WeakPolarHBondContact CA-O 3.39Å; L41-G44 WeakPolarHBondContact CB-O 3.29Å; L41-G44 PolarHBondContact N-O 2.97Å; L41-G44 PolarHBondContact O-N 3.1Å; L41-G44 VanDerWaalsContact O-N 3.16Å; G44-T69 WeakPolarHBondContact CA-OG1 3.22Å
45S78.6Confident80.2Confident23 Ų2333 Ų3316%0.16121%0.205CC..EExtended strand (participates in β ladder)trans-124.6146.2174.853.50000111.9V39 F68 T69 F135V39-S45 CarbonylContact O-C 3.53Å; V39-S45 WeakPolarHBondContact O-CA 3.26Å; S45-F68 WeakPolarHBondContact O-CA 3.48Å; S45-T69 PolarHBondContact N-OG1 3.48Å; S45-T69 PolarHBondContact O-N 2.89Å; S45-T69 PolarHBondContact O-OG1 3.07Å; S45-T69 WeakPolarHBondContact OG-CG2 3.33Å; S45-F135 WeakPolarHBondContact O-CE2 3.28Å; S45-F135 WeakPolarHBondContact OG-CZ 3.45Å
46C80.3Confident79.9Confident0 Ų037.1 Ų37.10%022%0.224CC..EExtended strand (participates in β ladder)trans-118.5137.4177.2-166.90000109.7V39 C48 C67V39-C46 PolarHBondContact N-O 3.27Å; V39-C46 PolarHBondContact O-N 3.22Å; C46-C48 PolarHBondContact SG-SG 3.07Å; C46-C67 WeakPolarHBondContact CA-O 3.46Å; C46-C67 PolarHBondContact SG-O 3.31Å
47L84.2Confident79.7Confident0 Ų037.9 Ų37.90%023%0.233CC..EExtended strand (participates in β ladder)trans-100.9113174.3-174.373.7000108.7Q17 C67 A90 H132 F135Q17-L47 VanDerWaalsContact CG-O 3.32Å; Q17-L47 WeakPolarHBondContact CG-O 3.24Å; Q17-L47 PolarHBondContact NE2-O 2.93Å; L47-C67 HydrophobicContact CB-CB 4.24Å; L47-C67 PolarHBondContact N-O 3.3Å; L47-A90 HydrophobicContact CD1-CB 4.23Å; L47-H132 HydrophobicContact CD2-CB 4.26Å; L47-F135 HydrophobicContact CB-CD2 4.15Å; L47-F135 HydrophobicContact CB-CE2 3.88Å
48C84Confident79.3Confident0 Ų043 Ų430%026%0.257CS..EExtended strand (participates in β ladder)trans-123.4168.9-178.6-55.50000111.4Q17 C19 P36 L37 C46Q17-C48 CarbonylContact O-C 3.48Å; C19-C48 HydrophobicContact CB-CB 3.44Å; C19-C48 VanDerWaalsContact CB-CB 3.44Å; P36-C48 CarbonylContact C-O 3.33Å; P36-C48 WeakPolarHBondContact CA-O 2.95Å; L37-C48 PolarHBondContact N-O 3.46Å; L37-C48 PolarHBondContact O-N 3.38Å; C46-C48 PolarHBondContact SG-SG 3.07Å
49T86.6Confident78.9Confident10 Ų1042.4 Ų42.46%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-106135.6169.157.10000109.9Q17 C19 W51 Y130Q17-T49 PolarHBondContact O-N 3.43Å; Q17-T49 PolarHBondContact O-OG1 3.16Å; C19-T49 PolarHBondContact N-O 2.92Å; T49-W51 PolarHBondContact OG1-NE1 3.17Å; T49-Y130 HydrophobicContact CG2-CD2 3.6Å; T49-Y130 HydrophobicContact CG2-CE2 3.49Å; T49-Y130 VanDerWaalsContact CG2-CE2 3.49Å; T49-Y130 HydrophobicContact CG2-CG 4.33Å
50A85.8Confident78.8Confident0 Ų045.7 Ų45.70%027%0.273CS..EExtended strand (participates in β ladder)trans-79.3124.4-176.300000111.9L21 M26 L31 G34 S35L21-A50 HydrophobicContact CD1-CB 3.79Å; M26-A50 HydrophobicContact CE-CB 4.14Å; L31-A50 HydrophobicContact CB-CB 4.33Å; L31-A50 HydrophobicContact CD1-CB 4.04Å; G34-A50 PolarHBondContact N-O 2.81Å; S35-A50 PolarHBondContact O-N 2.87Å
51W86.9Confident79Confident80 Ų8043.4 Ų43.430%0.30326%0.257SS..EExtended strand (participates in β ladder)trans-133.9149175.9-72.382000110.7R18 C19 R20 L21 T49R18-W51 HydrophobicContact CG-CG 4.33Å; C19-W51 PolarHBondContact O-N 2.94Å; R20-W51 CarbonylContact C-O 3.59Å; R20-W51 VanDerWaalsContact CA-O 3.25Å; R20-W51 WeakPolarHBondContact CA-O 3.45Å; L21-W51 PolarHBondContact N-O 2.93Å; T49-W51 PolarHBondContact OG1-NE1 3.17Å
52P85.3Confident79.4Confident42 Ų4243.3 Ų43.327%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-72.2146.7174.629.4-34.7000110R20 L21 M26 L33R20-P52 VanDerWaalsContact CD-O 3.31Å; R20-P52 WeakPolarHBondContact CD-O 3.36Å; R20-P52 PolarHBondContact NH1-O 3.18Å; L21-P52 WeakPolarHBondContact O-CA 3.44Å; M26-P52 HydrophobicContact SD-CB 4.17Å; L33-P52 HydrophobicContact CD2-CG 3.78Å
53R81.6Confident80.2Confident20 Ų2038.6 Ų38.68%0.07523%0.226CC..  trans-73.1142.2173.2-155.2168.1-162.2-146.6-9.1111.1R20 L21 D55 L56R20-R53 HydrophobicContact CB-CB 4.33Å; R20-R53 HydrophobicContact CB-CG 4.22Å; L21-R53 PolarHBondContact O-N 3.04Å; R53-D55 VanDerWaalsContact C-N 3.29Å; R53-D55 PolarHBondContact O-N 3.45Å; R53-L56 PolarHBondContact O-N 2.98Å
54P79.3Confident81.1Confident92 Ų9237.3 Ų37.360%0.59721%0.209SC*.THydrogen-bonded Turntrans-62.4-35.5177.423.9-34.1000112.9L56P54-L56 VanDerWaalsContact C-N 3.29Å; P54-L56 PolarHBondContact O-N 3.38Å
55D79.9Confident81.1Confident118 Ų11838.1 Ų38.163%0.63121%0.209SC*.THydrogen-bonded Turntrans-81.9-4.6-177.1-54.7-30.7000113.8R53 A57R53-D55 VanDerWaalsContact C-N 3.29Å; R53-D55 PolarHBondContact O-N 3.45Å; D55-A57 PolarHBondContact O-N 3.46Å
56L77.2Confident81.1Confident112 Ų11238 Ų3859%0.58621%0.205SC*.  trans54.95.8-176.1-57.1172.1000116P23 R53 P54P23-L56 HydrophobicContact CG-CD2 4.21Å; R53-L56 PolarHBondContact O-N 2.98Å; P54-L56 VanDerWaalsContact C-N 3.29Å; P54-L56 PolarHBondContact O-N 3.38Å
57A78.6Confident81Confident38 Ų3838 Ų3831%0.31421%0.205SC..  trans-67.6135.9179.900000112.5D55D55-A57 PolarHBondContact O-N 3.46Å
58E78Confident80.7Confident107 Ų10738.4 Ų38.450%0.521%0.207SC..SBendtrans-91.5162178.4-57.9-168.4145.700111.8G24 F60G24-E58 WeakPolarHBondContact CA-OE1 3.34Å; G24-E58 PolarHBondContact N-OE1 3.03Å; E58-F60 WeakPolarHBondContact O-CD2 3.41Å; E58-F60 PolarHBondContact O-N 2.98Å
59G74.9Confident80.4Confident22 Ų2239.3 Ų39.323%0.22721%0.213CC..SBendtrans832.6178.600000116.2L4 R5L4-G59 WeakPolarHBondContact CA-O 3.49Å; R5-G59 PolarHBondContact N-O 3.44Å
60F81.6Confident79.5Confident70 Ų7040.3 Ų40.331%0.30722%0.219SC..EExtended strand (participates in β ladder)trans-124.8149179-62.3-80.7000112.5R5 L7 E58R5-F60 HydrophobicContact CB-CD1 3.92Å; R5-F60 HydrophobicContact CB-CE1 4.18Å; R5-F60 WeakPolarHBondContact O-CA 3.44Å; L7-F60 HydrophobicContact CD1-CB 3.93Å; L7-F60 HydrophobicContact CD1-CD1 3.54Å; L7-F60 HydrophobicContact CD1-CE1 4.29Å; L7-F60 HydrophobicContact CD1-CG 3.91Å; L7-F60 HydrophobicContact CG-CD1 3.97Å; E58-F60 WeakPolarHBondContact O-CD2 3.41Å; E58-F60 PolarHBondContact O-N 2.98Å
61L82.5Confident78.3Confident0 Ų043.6 Ų43.60%024%0.242CC..EExtended strand (participates in β ladder)trans-132.3121.6-178.1-173.268.6000110.1R5 L6 L7 C19 L21 M63 L82R5-L61 PolarHBondContact O-N 3.03Å; L6-L61 CarbonylContact C-O 3.57Å; L6-L61 WeakPolarHBondContact CA-O 3.34Å; L6-L61 HydrophobicContact CD1-CD2 4.36Å; L7-L61 PolarHBondContact N-O 3.43Å; C19-L61 WeakPolarHBondContact SG-CD1 3.48Å; L21-L61 HydrophobicContact CD2-CD1 3.13Å; L21-L61 HydrophobicContact CG-CD1 4.07Å; L61-M63 HydrophobicContact CD2-CE 3.11Å; L61-M63 HydrophobicContact CG-CE 3.64Å; L61-L82 HydrophobicContact CD2-CD1 3.53Å
62Q83.8Confident77.2Confident12 Ų1240.3 Ų40.36%0.05623%0.23CC..EExtended strand (participates in β ladder)trans-110.9129.2167.5-64.5163.7-57.800107.9L7 D10 C19 R20L7-Q62 HydrophobicContact CB-CG 3.82Å; D10-Q62 PolarHBondContact OD1-NE2 3.14Å; D10-Q62 PolarHBondContact OD2-NE2 3.42Å; C19-Q62 CarbonylContact C-O 3.55Å; C19-Q62 VanDerWaalsContact CA-O 3.23Å; C19-Q62 WeakPolarHBondContact CA-O 3.29Å; C19-Q62 PolarHBondContact SG-O 3.14Å; R20-Q62 HydrophobicContact CB-CB 4.16Å; R20-Q62 PolarHBondContact N-O 2.91Å; R20-Q62 PolarHBondContact O-N 3.38Å
63M80.1Confident76Confident3 Ų340 Ų402%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-137.3131.7-179.370.9-175.359.100111.3L6 V9 C19 V39 L41 L61 L82L6-M63 HydrophobicContact CD1-CE 3.3Å; L6-M63 HydrophobicContact CD1-CG 3.94Å; L6-M63 HydrophobicContact CD1-SD 3.83Å; V9-M63 VanDerWaalsContact CG2-C 3.49Å; V9-M63 WeakPolarHBondContact CG2-O 3.46Å; C19-M63 HydrophobicContact CB-CB 4.3Å; V39-M63 HydrophobicContact CB-CE 4.38Å; V39-M63 HydrophobicContact CG1-CE 3.59Å; V39-M63 HydrophobicContact CG1-SD 4.19Å; V39-M63 HydrophobicContact CG2-CE 4.33Å; L41-M63 HydrophobicContact CD1-SD 4.28Å; L41-M63 HydrophobicContact CD2-SD 4.33Å; L61-M63 HydrophobicContact CD2-CE 3.11Å; L61-M63 HydrophobicContact CG-CE 3.64Å; M63-L82 HydrophobicContact CE-CD1 4.19Å
64D80.4Confident74.7Confident14 Ų1444.6 Ų44.68%0.07526%0.261CS..  trans-81.3138.8171.8-18046000112.1V9 D13 G15 S16 Q17 R18 K66V9-D64 HydrophobicContact CG1-CB 4.18Å; D13-D64 WeakPolarHBondContact O-CB 3.37Å; G15-D64 VanDerWaalsContact C-OD2 3.28Å; G15-D64 WeakPolarHBondContact CA-OD2 3.39Å; G15-D64 PolarHBondContact N-OD1 2.95Å; G15-D64 PolarHBondContact N-OD2 3.23Å; S16-D64 PolarHBondContact N-OD2 3.42Å; S16-D64 VanDerWaalsContact N-OD2 3.11Å; Q17-D64 PolarHBondContact N-OD2 3.3Å; R18-D64 PolarHBondContact O-N 3.43Å; R18-D64 VanDerWaalsContact O-N 3.09Å; D64-K66 VanDerWaalsContact C-N 3.32Å; D64-K66 PolarHBondContact O-N 3.03Å
65L73.3Confident73.6Confident38 Ų3842 Ų4220%0.19925%0.251CS..  trans-93.751.8-176.4-71.6179.1000111.6F68 L76L65-F68 HydrophobicContact CB-CD1 4.27Å; L65-F68 VanDerWaalsContact O-CD1 3.27Å; L65-F68 WeakPolarHBondContact O-CD1 3.22Å; L65-F68 WeakPolarHBondContact O-CE1 3.17Å; L65-L76 HydrophobicContact CD1-CD1 3.62Å; L65-L76 HydrophobicContact CD1-CG 3.92Å; L65-L76 HydrophobicContact CD2-CD1 3.79Å; L65-L76 HydrophobicContact CD2-CG 4.29Å; L65-L76 HydrophobicContact CG-CD1 3.81Å; L65-L76 HydrophobicContact CG-CG 4.5Å
66K79.9Confident72.6Confident21 Ų2138.8 Ų38.89%0.09123%0.234CC..SBendtrans-77.3-44.9177-164.2177.5-162.4158.30112.5G15 Q17 D64 I137 N138G15-K66 VanDerWaalsContact O-CD 3.24Å; G15-K66 WeakPolarHBondContact O-CD 3.4Å; G15-K66 VanDerWaalsContact O-CE 3.31Å; G15-K66 WeakPolarHBondContact O-CE 3.24Å; G15-K66 PolarHBondContact O-NZ 3.31Å; Q17-K66 HydrophobicContact CB-CB 3.99Å; Q17-K66 HydrophobicContact CB-CD 3.99Å; Q17-K66 HydrophobicContact CG-CB 4.24Å; D64-K66 VanDerWaalsContact C-N 3.32Å; D64-K66 PolarHBondContact O-N 3.03Å; K66-I137 HydrophobicContact CG-CG2 4.38Å; K66-I137 CarbonylContact O-C 3.59Å; K66-I137 VanDerWaalsContact O-CA 3.22Å; K66-I137 WeakPolarHBondContact O-CA 3.44Å; K66-N138 PolarHBondContact O-N 2.76Å
67C77.6Confident71.8Confident0 Ų037 Ų370%023%0.229CC..EExtended strand (participates in β ladder)trans-125.5105.4-177.8-69.60000109.9Q17 C46 L47 Y130 V136Q17-C67 PolarHBondContact NE2-SG 3.23Å; C46-C67 WeakPolarHBondContact CA-O 3.46Å; C46-C67 PolarHBondContact SG-O 3.31Å; L47-C67 HydrophobicContact CB-CB 4.24Å; L47-C67 PolarHBondContact N-O 3.3Å; C67-Y130 PolarHBondContact SG-O 2.93Å; C67-V136 WeakPolarHBondContact CA-O 3.32Å
68F78.4Confident70.6Confident7 Ų739.1 Ų39.13%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-136.7156.1-174.259.5-93.5000111.4S45 L65 L72 I73 V136 N138 Y148S45-F68 WeakPolarHBondContact O-CA 3.48Å; L65-F68 HydrophobicContact CB-CD1 4.27Å; L65-F68 VanDerWaalsContact O-CD1 3.27Å; L65-F68 WeakPolarHBondContact O-CD1 3.22Å; L65-F68 WeakPolarHBondContact O-CE1 3.17Å; F68-L72 HydrophobicContact CB-CB 4.26Å; F68-L72 HydrophobicContact CB-CD1 4.14Å; F68-L72 HydrophobicContact CD2-CB 3.76Å; F68-L72 HydrophobicContact CG-CB 4.27Å; F68-I73 HydrophobicContact CE2-CB 4.32Å; F68-I73 HydrophobicContact CE2-CG1 3.54Å; F68-I73 HydrophobicContact CZ-CG1 4.1Å; F68-V136 HydrophobicContact CE2-CB 4.38Å; F68-V136 PolarHBondContact N-O 3.47Å; F68-V136 PolarHBondContact O-N 3.03Å; F68-N138 HydrophobicContact CE1-CB 4.05Å; F68-Y148 HydrophobicContact CZ-CD1 4.49Å; F68-Y148 HydrophobicContact CZ-CE1 4.26Å
69T76.1Confident69.6Low20 Ų2042.6 Ų42.612%0.12326%0.262CS..  trans-64.3141.3171.549.30000110.5G44 S45 S71 L72 F135G44-T69 WeakPolarHBondContact CA-OG1 3.22Å; S45-T69 PolarHBondContact N-OG1 3.48Å; S45-T69 PolarHBondContact O-N 2.89Å; S45-T69 PolarHBondContact O-OG1 3.07Å; S45-T69 WeakPolarHBondContact OG-CG2 3.33Å; T69-S71 PolarHBondContact O-N 2.89Å; T69-L72 PolarHBondContact O-N 2.71Å; T69-F135 HydrophobicContact CG2-CD1 3.95Å; T69-F135 HydrophobicContact CG2-CE1 3.5Å; T69-F135 VanDerWaalsContact CG2-CE1 3.5Å; T69-F135 HydrophobicContact CG2-CE2 4.43Å; T69-F135 HydrophobicContact CG2-CZ 3.8Å
70P67.9Low69.4Low31 Ų3142.7 Ų42.720%0.20126%0.257CS..G310 helixtrans-51.5-22.6-174.217.6-30.5000115.4L72 I73 E134 V136 M185P70-L72 PolarHBondContact O-N 3.33Å; P70-I73 VanDerWaalsContact O-CD1 3.29Å; P70-I73 WeakPolarHBondContact O-CD1 3.42Å; P70-I73 WeakPolarHBondContact O-CG1 3.48Å; P70-E134 WeakPolarHBondContact CD-O 2.96Å; P70-V136 HydrophobicContact CB-CG2 3.85Å; P70-V136 HydrophobicContact CG-CG2 4.43Å; P70-M185 HydrophobicContact CB-SD 3.68Å; P70-M185 HydrophobicContact CG-SD 4.32Å
71S61.2Low68.7Low68 Ų6843.3 Ų43.348%0.47627%0.27SS..G310 helixtrans-62.2-19.6174.1-45.10000115.4G43 T69G43-S71 WeakPolarHBondContact O-CB 3.34Å; T69-S71 PolarHBondContact O-N 2.89Å
72L64.8Low68.1Low12 Ų1243.4 Ų43.46%0.06327%0.271CS..G310 helixtrans-96.17.1-176.1-69.6165.9000114.6L41 F68 T69 P70 S74 G75 L76L41-L72 HydrophobicContact CD1-CD1 3.7Å; L41-L72 HydrophobicContact CD1-CD2 4.18Å; F68-L72 HydrophobicContact CB-CB 4.26Å; F68-L72 HydrophobicContact CB-CD1 4.14Å; F68-L72 HydrophobicContact CD2-CB 3.76Å; F68-L72 HydrophobicContact CG-CB 4.27Å; T69-L72 PolarHBondContact O-N 2.71Å; P70-L72 PolarHBondContact O-N 3.33Å; L72-S74 PolarHBondContact O-N 2.8Å; L72-S74 VanDerWaalsContact O-N 3.14Å; L72-G75 PolarHBondContact O-N 2.84Å; L72-G75 VanDerWaalsContact O-N 3.13Å; L72-L76 HydrophobicContact CD2-CD2 4.37Å
73I59.7Low67.5Low36 Ų3646.7 Ų46.719%0.18529%0.289CS..THydrogen-bonded Turntrans-59.5-26.2178.6-61166.7000111.9F68 P70 G75 Y181F68-I73 HydrophobicContact CE2-CB 4.32Å; F68-I73 HydrophobicContact CE2-CG1 3.54Å; F68-I73 HydrophobicContact CZ-CG1 4.1Å; P70-I73 VanDerWaalsContact O-CD1 3.29Å; P70-I73 WeakPolarHBondContact O-CD1 3.42Å; P70-I73 WeakPolarHBondContact O-CG1 3.48Å; I73-G75 PolarHBondContact O-N 2.94Å; I73-Y181 HydrophobicContact CD1-CD1 4.2Å; I73-Y181 HydrophobicContact CD1-CE1 3.72Å
74S53.1Low66.7Low115 Ų11548.9 Ų48.980%0.80430%0.302SS*.THydrogen-bonded Turntrans-74.6-3.1179.654.70000114.8L72L72-S74 PolarHBondContact O-N 2.8Å; L72-S74 VanDerWaalsContact O-N 3.14Å
75G57.4Low66Low38 Ų3854 Ų5439%0.39233%0.334SS..  trans89.9163.7-17800000113.6L72 I73L72-G75 PolarHBondContact O-N 2.84Å; L72-G75 VanDerWaalsContact O-N 3.13Å; I73-G75 PolarHBondContact O-N 2.94Å
76L59Low66Low51 Ų5154.6 Ų54.627%0.26734%0.336SS..  trans-84.7141.2179.3-72.9160000111.1L6 L41 L65 L72L6-L76 HydrophobicContact CD2-CB 4.27Å; L6-L76 HydrophobicContact CD2-CD1 4.03Å; L6-L76 HydrophobicContact CD2-CD2 4.36Å; L6-L76 HydrophobicContact CD2-CG 4.47Å; L41-L76 HydrophobicContact CD1-CD2 3.56Å; L41-L76 HydrophobicContact CD2-CD2 3.94Å; L41-L76 HydrophobicContact CG-CD2 4.34Å; L65-L76 HydrophobicContact CD1-CD1 3.62Å; L65-L76 HydrophobicContact CD1-CG 3.92Å; L65-L76 HydrophobicContact CD2-CD1 3.79Å; L65-L76 HydrophobicContact CD2-CG 4.29Å; L65-L76 HydrophobicContact CG-CD1 3.81Å; L65-L76 HydrophobicContact CG-CG 4.5Å; L72-L76 HydrophobicContact CD2-CD2 4.37Å
77P59.9Low65.8Low75 Ų7554 Ų5449%0.48733%0.333SS..  trans-63.5135.9167.525.2-30.8000110.5H79 L80P77-H79 PolarHBondContact O-N 2.86Å; P77-L80 HydrophobicContact CG-CD1 3.96Å
78A52.3Low65.8Low81 Ų8156.4 Ų56.467%0.66935%0.35SS*.SBendtrans-63.7-16.6-167.600000115.5
79H57.4Low65.8Low180 Ų18059.8 Ų59.883%0.83337%0.373SS*.SBendtrans-138.783.6-179.3-61.7-50.9000110.9P77P77-H79 PolarHBondContact O-N 2.86Å
80L70Confident65.6Low25 Ų2559.6 Ų59.613%0.13137%0.374CS..  trans-106.6128.3175.8-160.985000110.6L6 L41 P42 P77 L82L6-L80 HydrophobicContact CB-CB 4.19Å; L6-L80 WeakPolarHBondContact CB-O 3.32Å; L6-L80 HydrophobicContact CD2-CB 4.37Å; L6-L80 PolarHBondContact N-O 2.98Å; L41-L80 HydrophobicContact CD2-CD2 3.45Å; L41-L80 VanDerWaalsContact CD2-CD2 3.45Å; P42-L80 HydrophobicContact CG-CD1 3.58Å; P42-L80 HydrophobicContact CG-CD2 4.1Å; P42-L80 HydrophobicContact CG-CG 4.38Å; P77-L80 HydrophobicContact CG-CD1 3.96Å; L80-L82 HydrophobicContact CD2-CD1 4.27Å; L80-L82 HydrophobicContact CD2-CD2 3.52Å; L80-L82 HydrophobicContact CD2-CG 3.77Å; L80-L82 HydrophobicContact CG-CD2 4.48Å; L80-L82 HydrophobicContact CG-CG 4.49Å
81S68Low65.8Low83 Ų8363.7 Ų63.758%0.5840%0.4SS*.EExtended strand (participates in β ladder)trans-95.8125.5165.9550000109.8L4L4-S81 CarbonylContact O-C 3.56Å; L4-S81 VanDerWaalsContact O-CA 3.25Å; L4-S81 WeakPolarHBondContact O-CA 3.34Å
82L68.8Low66.1Low1 Ų162.1 Ų62.11%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-110.6145.8-179.8-71166.9000111S3 L4 V39 L41 L61 M63 L80S3-L82 CarbonylContact C-O 3.57Å; L4-L82 HydrophobicContact CB-CB 4.34Å; L4-L82 PolarHBondContact N-O 3.24Å; L4-L82 PolarHBondContact O-N 2.94Å; V39-L82 HydrophobicContact CG1-CD1 4.27Å; L41-L82 HydrophobicContact CD2-CD1 3.93Å; L41-L82 HydrophobicContact CD2-CD2 4.09Å; L61-L82 HydrophobicContact CD2-CD1 3.53Å; M63-L82 HydrophobicContact CE-CD1 4.19Å; L80-L82 HydrophobicContact CD2-CD1 4.27Å; L80-L82 HydrophobicContact CD2-CD2 3.52Å; L80-L82 HydrophobicContact CD2-CG 3.77Å; L80-L82 HydrophobicContact CG-CD2 4.48Å; L80-L82 HydrophobicContact CG-CG 4.49Å
83D71.1Confident66.7Low82 Ų8264.6 Ų64.644%0.43941%0.405SS..  trans-90.6149.2172.4-69.7-33.5000110.7T85 Q86D83-T85 PolarHBondContact O-N 3.46Å; D83-T85 VanDerWaalsContact O-N 3.09Å; D83-Q86 VanDerWaalsContact O-CB 3.32Å; D83-Q86 WeakPolarHBondContact O-CB 3.38Å; D83-Q86 PolarHBondContact O-N 3Å
84T64.6Low67.6Low48 Ų4870.9 Ų70.929%0.29443%0.431SS..G310 helixtrans-59-21.9178.452.50000114.2L25 Q86 L87L25-T84 HydrophobicContact CD1-CG2 3.94Å; T84-Q86 PolarHBondContact O-N 3.39Å; T84-L87 PolarHBondContact O-N 3.44Å
85T66.3Low68.7Low121 Ų12165.7 Ų65.774%0.74239%0.394SS*.G310 helixtrans-71.8-15.5175.651.90000113.7D83 L87D83-T85 PolarHBondContact O-N 3.46Å; D83-T85 VanDerWaalsContact O-N 3.09Å; T85-L87 VanDerWaalsContact C-N 3.29Å
86Q72Confident69.5Low51 Ų5172 Ų7224%0.23841%0.41CS..G310 helixtrans-87.21179.9-68.4172.3-28.500112.8S40 D83 T84S40-Q86 PolarHBondContact N-O 2.96Å; S40-Q86 WeakPolarHBondContact O-CB 3.23Å; S40-Q86 VanDerWaalsContact OG-CA 3.24Å; S40-Q86 WeakPolarHBondContact OG-CA 3.47Å; S40-Q86 WeakPolarHBondContact OG-CB 3.26Å; S40-Q86 PolarHBondContact OG-O 2.83Å; S40-Q86 VanDerWaalsContact OG-O 3.06Å; D83-Q86 VanDerWaalsContact O-CB 3.32Å; D83-Q86 WeakPolarHBondContact O-CB 3.38Å; D83-Q86 PolarHBondContact O-N 3Å; T84-Q86 PolarHBondContact O-N 3.39Å
87L76.4Confident70.4Confident8 Ų871.2 Ų71.24%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-109.8113.1177.4-61.2176.4000109.1L4 L21 L25 L29 L37 V39 T84 T85L4-L87 HydrophobicContact CD1-CD1 3.64Å; L21-L87 HydrophobicContact CD2-CD1 4.38Å; L25-L87 HydrophobicContact CD2-CD1 3.9Å; L29-L87 HydrophobicContact CD1-CB 3.97Å; L29-L87 HydrophobicContact CD1-CD1 4.04Å; L37-L87 HydrophobicContact CD1-CB 4.31Å; L37-L87 HydrophobicContact CD2-CD2 4.02Å; V39-L87 HydrophobicContact CB-CD2 4.08Å; V39-L87 HydrophobicContact CG1-CD2 3.8Å; V39-L87 HydrophobicContact CG2-CD2 3.67Å; T84-L87 PolarHBondContact O-N 3.44Å; T85-L87 VanDerWaalsContact C-N 3.29Å
88S78Confident71.5Confident51 Ų5167.7 Ų67.736%0.35739%0.386SS..EExtended strand (participates in β ladder)trans-123.2132178.858.10000111.9L38 A90L38-S88 PolarHBondContact N-O 2.77Å; L38-S88 PolarHBondContact O-N 3.18Å; S88-A90 PolarHBondContact O-N 3.45Å
89P76.9Confident72.9Confident79 Ų7968.7 Ų68.751%0.51338%0.376SS..EExtended strand (participates in β ladder)trans-68.9129.8172.426.2-31000110.3L31L31-P89 HydrophobicContact CD2-CB 3.9Å
90A73.2Confident74.2Confident16 Ų1660.1 Ų60.113%0.13234%0.336CS..  trans-104.7125.1-178.400000111.4P36 L38 L47 S88 C92 A161P36-A90 WeakPolarHBondContact CG-O 3.36Å; P36-A90 PolarHBondContact O-N 3.49Å; L38-A90 HydrophobicContact CB-CB 4.47Å; L47-A90 HydrophobicContact CD1-CB 4.23Å; S88-A90 PolarHBondContact O-N 3.45Å; A90-C92 PolarHBondContact O-N 2.68Å; A90-C92 VanDerWaalsContact O-N 3.16Å; A90-A161 HydrophobicContact CB-CB 4.47Å
91P71.4Confident74.7Confident116 Ų11659 Ų5975%0.75333%0.331SS*.  trans-74108.2176.328.2-32.2000110.8
92C68.3Low75.3Confident36 Ų3655.1 Ų55.124%0.24330%0.303CS..EExtended strand (participates in β ladder)trans-96.3125.2178.9-67.60000111.7P36 A90 Y130 A161 V163P36-C92 VanDerWaalsContact CB-SG 3.56Å; P36-C92 HydrophobicContact CG-CB 4.1Å; P36-C92 VanDerWaalsContact CG-SG 3.57Å; A90-C92 PolarHBondContact O-N 2.68Å; A90-C92 VanDerWaalsContact O-N 3.16Å; C92-Y130 HydrophobicContact CB-CD1 4.14Å; C92-Y130 HydrophobicContact CB-CE1 4.35Å; C92-A161 WeakPolarHBondContact CA-O 3.4Å; C92-A161 WeakPolarHBondContact SG-CB 3.41Å; C92-V163 HydrophobicContact CB-CG2 4.28Å
93T76.9Confident75.7Confident64 Ų6455 Ų5539%0.39330%0.303SS..EExtended strand (participates in β ladder)trans-102162.8172.960.90000111.7L95 A159 A161 G162 V163T93-L95 PolarHBondContact O-N 3.09Å; T93-A159 WeakPolarHBondContact OG1-CB 3.27Å; T93-A161 PolarHBondContact N-O 2.77Å; T93-G162 CarbonylContact O-C 3.43Å; T93-G162 WeakPolarHBondContact O-CA 3.2Å; T93-V163 PolarHBondContact O-N 2.87Å
94K77.8Confident76.1Confident167 Ų16751.2 Ų51.273%0.72628%0.282SS*.EExtended strand (participates in β ladder)trans-76.1124.4174.6-64.8-176.7-176.91790109.4
95L77Confident76.5Confident7 Ų756.4 Ų56.44%0.03730%0.296CS..PPolyproline II helixtrans-81.6147.2-175.5-57.2-180000111.5T93 V98 I154 V163 I164 I168T93-L95 PolarHBondContact O-N 3.09Å; L95-V98 HydrophobicContact CB-CG2 4.21Å; L95-V98 HydrophobicContact CD1-CG2 3.85Å; L95-I154 HydrophobicContact CD1-CD1 4.43Å; L95-I154 HydrophobicContact CD1-CG1 4.49Å; L95-I154 HydrophobicContact CD1-CG2 3.58Å; L95-I154 HydrophobicContact CD2-CG2 3.12Å; L95-I154 HydrophobicContact CG-CG2 3.87Å; L95-V163 PolarHBondContact N-O 3.4Å; L95-I164 HydrophobicContact CD1-CG1 4.46Å; L95-I168 HydrophobicContact CB-CD1 3.95Å; L95-I168 WeakPolarHBondContact O-CD1 3.39Å; L95-I168 VanDerWaalsContact O-CG1 3.29Å; L95-I168 WeakPolarHBondContact O-CG1 3.36Å
96K74.7Confident76.6Confident169 Ų16952.4 Ų52.474%0.73527%0.273SS*.SBendtrans-96.2-44.3176.3-69.7-176.8179.6178.60111.9C155 G169K96-C155 PolarHBondContact N-O 3.19Å; K96-G169 PolarHBondContact O-N 3.26Å; K96-G169 VanDerWaalsContact O-N 3.14Å
97S77.8Confident76.2Confident35 Ų3552 Ų5225%0.24527%0.272CS..EExtended strand (participates in β ladder)trans-144150.9175.158.80000111C155 G169S97-C155 PolarHBondContact O-N 2.93Å; S97-C155 WeakPolarHBondContact OG-CB 3.11Å; S97-G169 CarbonylContact C-O 3.6Å; S97-G169 WeakPolarHBondContact CA-O 3.48Å; S97-G169 VanDerWaalsContact CB-O 3.29Å; S97-G169 WeakPolarHBondContact CB-O 3.25Å
98V82.7Confident75.5Confident1 Ų156.8 Ų56.81%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-135.4130.4179.7-172.20000109.4L95 V100 V151 I168 G169 E171L95-V98 HydrophobicContact CB-CG2 4.21Å; L95-V98 HydrophobicContact CD1-CG2 3.85Å; V98-V100 HydrophobicContact CG1-CG1 3.78Å; V98-V151 HydrophobicContact CG1-CG1 3.73Å; V98-V151 HydrophobicContact CG1-CG2 4.49Å; V98-I168 HydrophobicContact CG2-CG2 4.1Å; V98-G169 PolarHBondContact N-O 2.94Å; V98-E171 PolarHBondContact O-N 3.46Å
99K82.1Confident74.8Confident102 Ų10256.2 Ų56.244%0.44329%0.289SS..EExtended strand (participates in β ladder)trans-93.9118.3171.6-72178.8176.11780109.4H152 G153 E171 T173K99-H152 PolarHBondContact O-N 2.79Å; K99-G153 PolarHBondContact N-O 2.77Å; K99-G153 PolarHBondContact O-N 2.89Å; K99-E171 WeakPolarHBondContact CA-O 3.31Å; K99-E171 WeakPolarHBondContact CE-OE2 3.28Å; K99-E171 HydrophobicContact CG-CB 4.02Å; K99-T173 HydrophobicContact CB-CG2 4.35Å
100V83.4Confident74.1Confident0 Ų056.1 Ų56.10%028%0.281CS..EExtended strand (participates in β ladder)trans-124.8149.2-177.2-700000111.6V98 L126 V149 A150 V151 L170 E171 I172 T173V98-V100 HydrophobicContact CG1-CG1 3.78Å; V100-L126 HydrophobicContact CG1-CD1 4.5Å; V100-V149 HydrophobicContact CB-CG1 3.66Å; V100-V149 HydrophobicContact CG1-CG1 3.66Å; V100-V149 HydrophobicContact CG2-CG1 4.37Å; V100-A150 CarbonylContact C-O 3.59Å; V100-A150 WeakPolarHBondContact CA-O 3.07Å; V100-V151 HydrophobicContact CG1-CG2 3.93Å; V100-L170 HydrophobicContact CG1-CD1 4.46Å; V100-L170 HydrophobicContact CG2-CD1 3.76Å; V100-L170 HydrophobicContact CG2-CD2 4.11Å; V100-L170 HydrophobicContact CG2-CG 3.83Å; V100-E171 PolarHBondContact N-O 3.16Å; V100-I172 HydrophobicContact CG2-CG1 4.07Å; V100-I172 WeakPolarHBondContact O-CA 3.47Å; V100-T173 PolarHBondContact O-N 2.95Å; V100-T173 PolarHBondContact O-OG1 3.04Å
101T81.4Confident73.6Confident3 Ų361.3 Ų61.32%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-106137.8158.556.20000108.8V149 A150 H152 T173 E174T101-V149 CarbonylContact O-C 3.57Å; T101-V149 WeakPolarHBondContact O-CA 3.28Å; T101-A150 PolarHBondContact N-O 3.15Å; T101-A150 PolarHBondContact O-N 2.89Å; T101-A150 WeakPolarHBondContact OG1-CB 3.48Å; T101-A150 PolarHBondContact OG1-O 3.06Å; T101-H152 WeakPolarHBondContact CG2-CE1 3.05Å; T101-H152 PolarHBondContact OG1-CE1 3.16Å; T101-T173 WeakPolarHBondContact CG2-OG1 3.35Å; T101-E174 WeakPolarHBondContact CA-O 3.44Å; T101-E174 HydrophobicContact CG2-CB 4.17Å
102V81.1Confident73.2Confident0 Ų062 Ų620%030%0.298CS..EExtended strand (participates in β ladder)trans-102.8127.1-177.9-176.90000108.2V104 V118 V122 I146 I172 E174 I175 Q176V102-V104 HydrophobicContact CG1-CG2 4.22Å; V102-V118 HydrophobicContact CG1-CG1 4.34Å; V102-V122 HydrophobicContact CG1-CG2 4.07Å; V102-V122 HydrophobicContact CG2-CG1 4.38Å; V102-V122 HydrophobicContact CG2-CG2 3.85Å; V102-I146 HydrophobicContact CG1-CD1 4.26Å; V102-I146 HydrophobicContact CG1-CG1 4.16Å; V102-I146 HydrophobicContact CG1-CG2 3.69Å; V102-I172 HydrophobicContact CG2-CD1 4.12Å; V102-I172 HydrophobicContact CG2-CG1 4.17Å; V102-I172 HydrophobicContact CG2-CG2 4.03Å; V102-E174 PolarHBondContact N-O 3.48Å; V102-I175 WeakPolarHBondContact O-CA 3.38Å; V102-Q176 PolarHBondContact O-N 2.71Å
103V77.6Confident72.9Confident0 Ų062.3 Ų62.30%030%0.299CS..EExtended strand (participates in β ladder)trans-108.8115.9-178.1-170.50000109.7R147 Y148 Q176 V178 Y181V103-R147 PolarHBondContact O-N 3Å; V103-Y148 WeakPolarHBondContact CA-O 3.42Å; V103-Y148 VanDerWaalsContact CB-O 3.28Å; V103-Y148 WeakPolarHBondContact CB-O 3.04Å; V103-Y148 HydrophobicContact CG1-CD2 4.3Å; V103-Y148 PolarHBondContact N-O 2.91Å; V103-Y148 PolarHBondContact O-N 3.33Å; V103-Q176 CarbonylContact C-O 3.45Å; V103-Q176 VanDerWaalsContact CA-O 3.26Å; V103-Q176 WeakPolarHBondContact CA-O 3.37Å; V103-V178 VanDerWaalsContact CG1-CA 3.48Å; V103-V178 HydrophobicContact CG1-CB 4.2Å; V103-V178 HydrophobicContact CG1-CG2 3.74Å; V103-Y181 HydrophobicContact CG1-CG 4.24Å; V103-Y181 HydrophobicContact CG2-CD1 4.24Å; V103-Y181 HydrophobicContact CG2-CD2 4Å; V103-Y181 HydrophobicContact CG2-CE2 4.47Å; V103-Y181 HydrophobicContact CG2-CG 3.89Å
104V79.4Confident72.6Confident1 Ų166.2 Ų66.21%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-107.6148.2-173.2-169.20000111V102 F109 D145 I175 Q176 T177 V178V102-V104 HydrophobicContact CG1-CG2 4.22Å; V104-F109 HydrophobicContact CG1-CB 3.84Å; V104-F109 HydrophobicContact CG1-CD1 3.59Å; V104-F109 HydrophobicContact CG1-CE1 4.41Å; V104-F109 HydrophobicContact CG1-CG 3.92Å; V104-F109 HydrophobicContact CG2-CD1 4.34Å; V104-D145 CarbonylContact C-O 3.56Å; V104-D145 WeakPolarHBondContact CA-O 3.16Å; V104-D145 HydrophobicContact CG1-CB 3.91Å; V104-D145 WeakPolarHBondContact CG1-O 3.34Å; V104-I175 HydrophobicContact CG2-CG2 3.66Å; V104-Q176 PolarHBondContact N-O 3.21Å; V104-T177 CarbonylContact O-C 3.59Å; V104-T177 WeakPolarHBondContact O-CA 3.5Å; V104-V178 PolarHBondContact O-N 3.35Å
105R72.4Confident72.2Confident158 Ų15863.8 Ų63.860%0.59630%0.302SS*.SBendtrans-73.6-38179.5-170.8178.8-174.8-178.42.3112.7D145 R147R105-D145 VanDerWaalsContact CB-O 3.32Å; R105-D145 WeakPolarHBondContact CB-O 3.34Å; R105-D145 PolarHBondContact N-O 3.41Å; R105-R147 HydrophobicContact CB-CG 4.09Å
106S69.1Low72Confident36 Ų3667.7 Ų67.725%0.25233%0.33SS..  trans-122.6136.3-167.9-56.20000112.2D108 F109S106-D108 VanDerWaalsContact C-N 3.3Å; S106-D108 PolarHBondContact O-N 2.85Å; S106-F109 PolarHBondContact O-N 3.43Å
107L63.1Low72Confident42 Ų4264.6 Ų64.622%0.2232%0.321CS..Hα-helixtrans-62.3-35.5173.5-87.9152.4000112.5F109 K110 K111 T177 E286L107-F109 VanDerWaalsContact C-N 3.29Å; L107-F109 PolarHBondContact O-N 3.41Å; L107-K110 WeakPolarHBondContact O-CB 3.48Å; L107-K110 PolarHBondContact O-N 2.91Å; L107-K110 VanDerWaalsContact O-N 3.08Å; L107-K111 PolarHBondContact O-N 2.99Å; L107-T177 HydrophobicContact CG-CG2 4.29Å; L107-E286 HydrophobicContact CD2-CG 3.41Å; L107-E286 VanDerWaalsContact CD2-CG 3.41Å; L107-E286 WeakPolarHBondContact CD2-OE1 3.31Å; L107-E286 VanDerWaalsContact CG-OE1 3.32Å; L107-E286 WeakPolarHBondContact CG-OE1 3.36Å
108D61.1Low71.9Confident110 Ų11063 Ų6359%0.58831%0.31SS*.Hα-helixtrans-64.5-35.8-179.3-57.2-41.7000112S106 K110 K111 N112S106-D108 VanDerWaalsContact C-N 3.3Å; S106-D108 PolarHBondContact O-N 2.85Å; D108-K110 VanDerWaalsContact C-N 3.28Å; D108-K110 PolarHBondContact O-N 3.1Å; D108-K111 PolarHBondContact O-N 3.5Å; D108-N112 WeakPolarHBondContact O-CB 3.37Å; D108-N112 PolarHBondContact O-N 3.11Å
109F63.3Low71.7Confident39 Ų3965.2 Ų65.217%0.17132%0.319CS..Hα-helixtrans-63.3-36.8174.9-169.4-87.9000110.8V104 S106 L107 T113 V118 D145 I146V104-F109 HydrophobicContact CG1-CB 3.84Å; V104-F109 HydrophobicContact CG1-CD1 3.59Å; V104-F109 HydrophobicContact CG1-CE1 4.41Å; V104-F109 HydrophobicContact CG1-CG 3.92Å; V104-F109 HydrophobicContact CG2-CD1 4.34Å; S106-F109 PolarHBondContact O-N 3.43Å; L107-F109 VanDerWaalsContact C-N 3.29Å; L107-F109 PolarHBondContact O-N 3.41Å; F109-T113 HydrophobicContact CD1-CG2 4.06Å; F109-T113 HydrophobicContact CD2-CG2 3.81Å; F109-T113 HydrophobicContact CE1-CG2 4Å; F109-T113 HydrophobicContact CE2-CG2 3.72Å; F109-T113 HydrophobicContact CG-CG2 3.99Å; F109-T113 HydrophobicContact CZ-CG2 3.83Å; F109-T113 WeakPolarHBondContact O-CB 3.42Å; F109-T113 WeakPolarHBondContact O-CG2 3.35Å; F109-T113 PolarHBondContact O-N 3.18Å; F109-T113 PolarHBondContact O-OG1 3.01Å; F109-V118 HydrophobicContact CE1-CG2 4.04Å; F109-D145 HydrophobicContact CB-CB 4.21Å; F109-D145 HydrophobicContact CD2-CB 3.81Å; F109-D145 WeakPolarHBondContact CD2-OD2 3.36Å; F109-D145 HydrophobicContact CE2-CB 4.3Å; F109-D145 HydrophobicContact CG-CB 3.95Å; F109-I146 HydrophobicContact CE1-CG1 4.39Å
110K62.9Low71.6Confident76 Ų7665 Ų6533%0.3332%0.32SS..Hα-helixtrans-67.4-35.5175.8-173.4177.7176.7170.20112.7L107 D108 I175L107-K110 WeakPolarHBondContact O-CB 3.48Å; L107-K110 PolarHBondContact O-N 2.91Å; L107-K110 VanDerWaalsContact O-N 3.08Å; D108-K110 VanDerWaalsContact C-N 3.28Å; D108-K110 PolarHBondContact O-N 3.1Å; K110-I175 HydrophobicContact CG-CG2 4.48Å; K110-I175 PolarHBondContact NZ-O 3.1Å
111K63.1Low71.4Confident125 Ų12568.2 Ų68.254%0.54334%0.337SS..Hα-helixtrans-78.5-37-179.4-70-175.9-179.41780113L107 D108 E285L107-K111 PolarHBondContact O-N 2.99Å; D108-K111 PolarHBondContact O-N 3.5Å; K111-E285 WeakPolarHBondContact CE-OE2 3.38Å; K111-E285 IonicContact NZ-OE1 2.68Å; K111-E285 PolarHBondContact NZ-OE1 2.89Å; K111-E285 IonicContact NZ-OE2 2.66Å; K111-E285 PolarHBondContact NZ-OE2 3.2Å
112N62.2Low71.4Confident132 Ų13268 Ų6871%0.70634%0.336SS*.Hα-helixtrans-98-11.7-169-65.8-20.2000114.3D108D108-N112 WeakPolarHBondContact O-CB 3.37Å; D108-N112 PolarHBondContact O-N 3.11Å
113T62.7Low71.4Confident42 Ų4271 Ų7126%0.25835%0.349SS..SBendtrans-101.1133.6-177.762.80000112.8F109F109-T113 HydrophobicContact CD1-CG2 4.06Å; F109-T113 HydrophobicContact CD2-CG2 3.81Å; F109-T113 HydrophobicContact CE1-CG2 4Å; F109-T113 HydrophobicContact CE2-CG2 3.72Å; F109-T113 HydrophobicContact CG-CG2 3.99Å; F109-T113 HydrophobicContact CZ-CG2 3.83Å; F109-T113 WeakPolarHBondContact O-CB 3.42Å; F109-T113 WeakPolarHBondContact O-CG2 3.35Å; F109-T113 PolarHBondContact O-N 3.18Å; F109-T113 PolarHBondContact O-OG1 3.01Å
114H70.2Confident71.6Confident145 Ų14576 Ų7667%0.67138%0.375SS*.  trans-71137.8172.2-67.4-69.9000110.7S116 L117 V118H114-S116 PolarHBondContact O-N 2.96Å; H114-L117 PolarHBondContact O-N 3.01Å; H114-V118 PolarHBondContact O-N 3.41Å
115F68.1Low71.6Confident117 Ų11776.6 Ų76.651%0.51338%0.378SS..Hα-helixtrans-52.1-33.1-178.7-171.3-98.8000113.7H119 I172 I175F115-H119 PolarHBondContact O-N 2.86Å; F115-H119 VanDerWaalsContact O-N 3.1Å; F115-I172 HydrophobicContact CE2-CB 4.18Å; F115-I172 HydrophobicContact CE2-CG2 4.09Å; F115-I172 HydrophobicContact CZ-CB 3.86Å; F115-I172 HydrophobicContact CZ-CG2 4.28Å; F115-I175 HydrophobicContact CD2-CD1 4.05Å; F115-I175 HydrophobicContact CE2-CD1 4.33Å
116S73.6Confident71.9Confident89 Ų8969.1 Ų69.162%0.62235%0.35SS*.Hα-helixtrans-67.4-35.3178.4-44.50000113.8H114 H119 E120H114-S116 PolarHBondContact O-N 2.96Å; S116-H119 WeakPolarHBondContact O-CB 3.16Å; S116-H119 PolarHBondContact O-N 2.92Å; S116-E120 PolarHBondContact O-N 2.8Å
117L74.6Confident72.5Confident104 Ų10470.6 Ų70.655%0.54536%0.358SS..Hα-helixtrans-71.7-39179-68.3172.7000111.2H114 H119 E120 L121H114-L117 PolarHBondContact O-N 3.01Å; L117-H119 VanDerWaalsContact C-N 3.26Å; L117-H119 PolarHBondContact O-N 2.97Å; L117-E120 PolarHBondContact O-N 2.94Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CD1 3.23Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.98Å
118V75.9Confident73.1Confident2 Ų271 Ų711%0.01237%0.373CS..Hα-helixtrans-63.5-38174.5-178.10000110.3V102 F109 H114 V122 I172 I175V102-V118 HydrophobicContact CG1-CG1 4.34Å; F109-V118 HydrophobicContact CE1-CG2 4.04Å; H114-V118 PolarHBondContact O-N 3.41Å; V118-V122 HydrophobicContact CG1-CG2 4.12Å; V118-V122 VanDerWaalsContact O-CB 3.31Å; V118-V122 WeakPolarHBondContact O-CB 3.22Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 2.96Å; V118-I172 HydrophobicContact CG1-CD1 4.32Å; V118-I175 HydrophobicContact CG1-CD1 4.37Å
119H79.1Confident74.2Confident46 Ų4666 Ų6621%0.21335%0.346CS..Hα-helixtrans-61.5-49.4176.9-169.6-87.1000112.6F115 S116 L117 K123 L170 I172F115-H119 PolarHBondContact O-N 2.86Å; F115-H119 VanDerWaalsContact O-N 3.1Å; S116-H119 WeakPolarHBondContact O-CB 3.16Å; S116-H119 PolarHBondContact O-N 2.92Å; L117-H119 VanDerWaalsContact C-N 3.26Å; L117-H119 PolarHBondContact O-N 2.97Å; H119-K123 VanDerWaalsContact O-CB 3.24Å; H119-K123 WeakPolarHBondContact O-CB 3.48Å; H119-K123 PolarHBondContact O-N 2.82Å; H119-L170 PolarHBondContact NE2-O 3.35Å; H119-I172 HydrophobicContact CB-CD1 4.25Å
120E79.4Confident75.1Confident97 Ų9767 Ų6745%0.45335%0.349SS..Hα-helixtrans-66.1-44.4177.9-68-63.3158.500112S116 L117 V122 K123 D124S116-E120 PolarHBondContact O-N 2.8Å; L117-E120 PolarHBondContact O-N 2.94Å; E120-V122 PolarHBondContact O-N 3.35Å; E120-K123 WeakPolarHBondContact O-CB 3.31Å; E120-K123 PolarHBondContact O-N 2.89Å; E120-D124 PolarHBondContact O-N 2.75Å
121L79.9Confident76.1Confident68 Ų6863.4 Ų63.436%0.35633%0.333SS..Hα-helixtrans-58.6-46.8177.3-80.4161.4000112.4L117 K123 D124 M125L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CD1 3.23Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.98Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-D124 PolarHBondContact O-N 3.06Å; L121-M125 HydrophobicContact CD2-CE 4.3Å; L121-M125 WeakPolarHBondContact O-CB 3.1Å; L121-M125 VanDerWaalsContact O-CG 3.22Å; L121-M125 WeakPolarHBondContact O-CG 3.47Å; L121-M125 PolarHBondContact O-N 2.88Å
122V80.2Confident76.9Confident0 Ų059.3 Ų59.30%032%0.316CS..Hα-helixtrans-67.9-38.3179.6171.90000110.6V102 V118 E120 M125 L126 I146 V149 L170V102-V122 HydrophobicContact CG1-CG2 4.07Å; V102-V122 HydrophobicContact CG2-CG1 4.38Å; V102-V122 HydrophobicContact CG2-CG2 3.85Å; V118-V122 HydrophobicContact CG1-CG2 4.12Å; V118-V122 VanDerWaalsContact O-CB 3.31Å; V118-V122 WeakPolarHBondContact O-CB 3.22Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 2.96Å; E120-V122 PolarHBondContact O-N 3.35Å; V122-M125 PolarHBondContact O-N 2.89Å; V122-L126 HydrophobicContact CG1-CD1 3.53Å; V122-L126 HydrophobicContact CG1-CG 4.14Å; V122-L126 WeakPolarHBondContact O-CB 3.21Å; V122-L126 WeakPolarHBondContact O-CG 3.46Å; V122-L126 PolarHBondContact O-N 3.22Å; V122-I146 HydrophobicContact CG2-CD1 3.78Å; V122-V149 HydrophobicContact CG1-CG2 4.41Å; V122-L170 HydrophobicContact CB-CD2 4.23Å; V122-L170 HydrophobicContact CG1-CD1 4.18Å; V122-L170 HydrophobicContact CG1-CD2 3.86Å
123K81.2Confident77.7Confident62 Ų6258 Ų5827%0.2730%0.304SS..Hα-helixtrans-61-45.6176.4-175.1-177177.2-168.40111.3H119 E120 L121 L126 T127 S166H119-K123 VanDerWaalsContact O-CB 3.24Å; H119-K123 WeakPolarHBondContact O-CB 3.48Å; H119-K123 PolarHBondContact O-N 2.82Å; E120-K123 WeakPolarHBondContact O-CB 3.31Å; E120-K123 PolarHBondContact O-N 2.89Å; L121-K123 VanDerWaalsContact C-N 3.34Å; K123-L126 PolarHBondContact O-N 2.8Å; K123-T127 VanDerWaalsContact O-CG2 3.24Å; K123-T127 WeakPolarHBondContact O-CG2 3.2Å; K123-T127 PolarHBondContact O-N 3.26Å; K123-S166 WeakPolarHBondContact CE-O 3.44Å
124D81.3Confident78.2Confident104 Ų10462.2 Ų62.256%0.55632%0.321SS*.Hα-helixtrans-63.2-47.2177.5-75.1-14.6000111.7E120 L121 L126 T127E120-D124 PolarHBondContact O-N 2.75Å; L121-D124 PolarHBondContact O-N 3.06Å; D124-L126 VanDerWaalsContact C-N 3.27Å; D124-L126 PolarHBondContact O-N 2.89Å; D124-T127 PolarHBondContact O-N 3.11Å; D124-T127 PolarHBondContact O-OG1 2.85Å
125M79.5Confident78.7Confident14 Ų1455.7 Ų55.77%0.06929%0.291CS..Hα-helixtrans-63.3-29.9179.7-71.6175.5-170.100113.8L121 V122 L139 F142 T144L121-M125 HydrophobicContact CD2-CE 4.3Å; L121-M125 WeakPolarHBondContact O-CB 3.1Å; L121-M125 VanDerWaalsContact O-CG 3.22Å; L121-M125 WeakPolarHBondContact O-CG 3.47Å; L121-M125 PolarHBondContact O-N 2.88Å; V122-M125 PolarHBondContact O-N 2.89Å; M125-L139 HydrophobicContact CB-CD1 4.24Å; M125-L139 HydrophobicContact CB-CD2 4.23Å; M125-L139 HydrophobicContact SD-CD1 3.95Å; M125-F142 HydrophobicContact CB-CD2 4.4Å; M125-F142 HydrophobicContact CB-CE2 4.19Å; M125-F142 HydrophobicContact CB-CZ 4.48Å; M125-F142 HydrophobicContact CE-CB 3.86Å; M125-F142 HydrophobicContact CE-CG 4.25Å; M125-F142 HydrophobicContact CG-CD1 4.22Å; M125-F142 HydrophobicContact CG-CD2 3.94Å; M125-F142 HydrophobicContact CG-CE1 4.41Å; M125-F142 HydrophobicContact CG-CE2 4.14Å; M125-F142 HydrophobicContact CG-CG 3.98Å; M125-F142 HydrophobicContact CG-CZ 4.37Å; M125-F142 HydrophobicContact SD-CB 4.29Å; M125-F142 HydrophobicContact SD-CD2 4.21Å; M125-F142 HydrophobicContact SD-CG 4.25Å; M125-T144 HydrophobicContact CE-CG2 3.52Å; M125-T144 WeakPolarHBondContact CE-OG1 3.24Å
126L79.4Confident79.4Confident1 Ų150.1 Ų50.11%0.00527%0.266CS..Hα-helixtrans-88.2-10.4-178.4-68.8176.9000113.3V100 V122 K123 D124 G128 V129 I137 V149 I164 L170V100-L126 HydrophobicContact CG1-CD1 4.5Å; V122-L126 HydrophobicContact CG1-CD1 3.53Å; V122-L126 HydrophobicContact CG1-CG 4.14Å; V122-L126 WeakPolarHBondContact O-CB 3.21Å; V122-L126 WeakPolarHBondContact O-CG 3.46Å; V122-L126 PolarHBondContact O-N 3.22Å; K123-L126 PolarHBondContact O-N 2.8Å; D124-L126 VanDerWaalsContact C-N 3.27Å; D124-L126 PolarHBondContact O-N 2.89Å; L126-G128 PolarHBondContact O-N 2.84Å; L126-V129 PolarHBondContact O-N 3.48Å; L126-I137 HydrophobicContact CD2-CD1 3.43Å; L126-I137 VanDerWaalsContact CD2-CD1 3.43Å; L126-I137 HydrophobicContact CD2-CG2 4.31Å; L126-V149 HydrophobicContact CD1-CG1 4.32Å; L126-I164 HydrophobicContact CB-CD1 3.87Å; L126-I164 HydrophobicContact CB-CG2 4.13Å; L126-I164 HydrophobicContact CD1-CD1 4.28Å; L126-I164 HydrophobicContact CD2-CD1 4.41Å; L126-I164 HydrophobicContact CG-CD1 4.43Å; L126-I164 VanDerWaalsContact O-CB 3.29Å; L126-I164 WeakPolarHBondContact O-CB 3.41Å; L126-I164 VanDerWaalsContact O-CG2 3.26Å; L126-I164 WeakPolarHBondContact O-CG2 3.25Å; L126-L170 HydrophobicContact CD1-CD1 3.67Å
127T81.3Confident79.9Confident67 Ų6745.9 Ų45.941%0.41124%0.237SC..THydrogen-bonded Turntrans-59.6127.3-179.859.10000111.9K123 D124 V129K123-T127 VanDerWaalsContact O-CG2 3.24Å; K123-T127 WeakPolarHBondContact O-CG2 3.2Å; K123-T127 PolarHBondContact O-N 3.26Å; D124-T127 PolarHBondContact O-N 3.11Å; D124-T127 PolarHBondContact O-OG1 2.85Å; T127-V129 VanDerWaalsContact C-N 3.31Å; T127-V129 PolarHBondContact O-N 3.02Å
128G76.7Confident80.2Confident52 Ų5242.4 Ų42.454%0.53622%0.219SC..THydrogen-bonded Turntrans79.54.1178.400000115.7L126 I164L126-G128 PolarHBondContact O-N 2.84Å; G128-I164 WeakPolarHBondContact CA-O 2.86Å; G128-I164 PolarHBondContact N-O 3.32Å
129V83.5Confident80.3Confident5 Ų542.4 Ų42.43%0.0322%0.218CC..  trans-85.3141.3177.3-177.30000110.9L126 T127 V131 I137 I164L126-V129 PolarHBondContact O-N 3.48Å; T127-V129 VanDerWaalsContact C-N 3.31Å; T127-V129 PolarHBondContact O-N 3.02Å; V129-V131 HydrophobicContact CG1-CG2 4.26Å; V129-I137 HydrophobicContact CG1-CD1 4.41Å; V129-I137 HydrophobicContact CG1-CG2 4.4Å; V129-I164 PolarHBondContact O-N 2.99Å
130Y83.4Confident79.9Confident59 Ų5944.3 Ų44.323%0.23123%0.227CC..EExtended strand (participates in β ladder)trans-87.5130.1172.2-67.1-100.4000109.7Q17 P36 T49 C67 C92 V163Q17-Y130 PolarHBondContact NE2-O 2.97Å; P36-Y130 HydrophobicContact CB-CD1 4.08Å; P36-Y130 HydrophobicContact CB-CE1 4.28Å; P36-Y130 HydrophobicContact CG-CE1 4.4Å; T49-Y130 HydrophobicContact CG2-CD2 3.6Å; T49-Y130 HydrophobicContact CG2-CE2 3.49Å; T49-Y130 VanDerWaalsContact CG2-CE2 3.49Å; T49-Y130 HydrophobicContact CG2-CG 4.33Å; C67-Y130 PolarHBondContact SG-O 2.93Å; C92-Y130 HydrophobicContact CB-CD1 4.14Å; C92-Y130 HydrophobicContact CB-CE1 4.35Å; Y130-V163 HydrophobicContact CD1-CG2 3.4Å; Y130-V163 VanDerWaalsContact CD1-CG2 3.4Å; Y130-V163 HydrophobicContact CE1-CG2 3.21Å; Y130-V163 HydrophobicContact CG-CG2 4.19Å
131V82.8Confident79.3Confident0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-127.6142-172.4-178.60000110.7V129 I137 V151 I154 A161 G162 I164V129-V131 HydrophobicContact CG1-CG2 4.26Å; V131-I137 HydrophobicContact CG1-CD1 4.47Å; V131-I137 HydrophobicContact CG2-CD1 3.65Å; V131-V151 HydrophobicContact CG1-CB 3.86Å; V131-V151 HydrophobicContact CG1-CG1 3.71Å; V131-V151 HydrophobicContact CG1-CG2 3.44Å; V131-V151 VanDerWaalsContact CG1-CG2 3.44Å; V131-I154 HydrophobicContact CG1-CD1 4.03Å; V131-A161 CarbonylContact O-C 3.53Å; V131-A161 VanDerWaalsContact O-CA 3.26Å; V131-A161 WeakPolarHBondContact O-CA 3.12Å; V131-G162 PolarHBondContact N-O 2.96Å; V131-G162 PolarHBondContact O-N 2.8Å; V131-I164 HydrophobicContact CB-CD1 4.45Å; V131-I164 HydrophobicContact CG2-CD1 3.46Å; V131-I164 VanDerWaalsContact CG2-CD1 3.46Å; V131-I164 HydrophobicContact CG2-CG1 3.89Å
132H80.7Confident78.7Confident40 Ų4045.1 Ų45.119%0.18523%0.228CC..EExtended strand (participates in β ladder)trans-115.1152.4171.4-168.9-77.5000109.5L47 E134 F135 I154 A160L47-H132 HydrophobicContact CD2-CB 4.26Å; H132-E134 PolarHBondContact O-N 3.09Å; H132-F135 HydrophobicContact CB-CB 4.25Å; H132-F135 HydrophobicContact CB-CD1 3.69Å; H132-F135 HydrophobicContact CB-CD2 3.89Å; H132-F135 HydrophobicContact CB-CE1 3.86Å; H132-F135 HydrophobicContact CB-CE2 4.06Å; H132-F135 HydrophobicContact CB-CG 3.69Å; H132-F135 HydrophobicContact CB-CZ 4.02Å; H132-F135 AromaticContact CG-CD1 3.88Å; H132-F135 AromaticContact CG-CE1 3.65Å; H132-F135 AromaticContact CG-CZ 3.94Å; H132-F135 AromaticContact ND1-CD1 3.6Å; H132-F135 AromaticContact ND1-CE1 3.34Å; H132-F135 VanDerWaalsContact ND1-CE1 3.34Å; H132-F135 WeakPolarHBondContact ND1-CE1 3.24Å; H132-F135 PolarHBondContact O-N 3.32Å; H132-I154 VanDerWaalsContact C-CD1 3.47Å; H132-A160 WeakPolarHBondContact CA-O 3.44Å; H132-A160 PolarHBondContact CD2-O 3.12Å; H132-A160 VanDerWaalsContact CD2-O 3.25Å; H132-A160 VanDerWaalsContact CG-O 3.29Å
133K78.6Confident78Confident104 Ų10452.9 Ų52.945%0.45227%0.27SS..THydrogen-bonded Turntrans-58.5136.5173.6-173.5-179.4173-174.40109.1F135 I154 A160K133-F135 VanDerWaalsContact C-N 3.26Å; K133-F135 WeakPolarHBondContact O-CD1 2.93Å; K133-F135 PolarHBondContact O-N 3.47Å; K133-I154 HydrophobicContact CB-CD1 4.24Å; K133-I154 VanDerWaalsContact N-CD1 3.3Å; K133-A160 PolarHBondContact N-O 2.98Å; K133-A160 VanDerWaalsContact N-O 3.09Å
134E73.4Confident77.7Confident131 Ų13152 Ų5261%0.61227%0.27SS*.THydrogen-bonded Turntrans66.916179.3-67.1164.8-157.600115.8P70 H132 V151P70-E134 WeakPolarHBondContact CD-O 2.96Å; H132-E134 PolarHBondContact O-N 3.09Å; E134-V151 VanDerWaalsContact CA-O 3.22Å; E134-V151 WeakPolarHBondContact CA-O 3.44Å; E134-V151 PolarHBondContact N-O 3.43Å
135F81.1Confident77.3Confident7 Ų749.8 Ų49.83%0.03126%0.258CS..  trans-94.8154.1175.2-80.739.9000112L38 S45 L47 T69 H132 K133 V151L38-F135 HydrophobicContact CD1-CE2 4.13Å; L38-F135 HydrophobicContact CD1-CZ 3.78Å; S45-F135 WeakPolarHBondContact O-CE2 3.28Å; S45-F135 WeakPolarHBondContact OG-CZ 3.45Å; L47-F135 HydrophobicContact CB-CD2 4.15Å; L47-F135 HydrophobicContact CB-CE2 3.88Å; T69-F135 HydrophobicContact CG2-CD1 3.95Å; T69-F135 HydrophobicContact CG2-CE1 3.5Å; T69-F135 VanDerWaalsContact CG2-CE1 3.5Å; T69-F135 HydrophobicContact CG2-CE2 4.43Å; T69-F135 HydrophobicContact CG2-CZ 3.8Å; H132-F135 HydrophobicContact CB-CB 4.25Å; H132-F135 HydrophobicContact CB-CD1 3.69Å; H132-F135 HydrophobicContact CB-CD2 3.89Å; H132-F135 HydrophobicContact CB-CE1 3.86Å; H132-F135 HydrophobicContact CB-CE2 4.06Å; H132-F135 HydrophobicContact CB-CG 3.69Å; H132-F135 HydrophobicContact CB-CZ 4.02Å; H132-F135 AromaticContact CG-CD1 3.88Å; H132-F135 AromaticContact CG-CE1 3.65Å; H132-F135 AromaticContact CG-CZ 3.94Å; H132-F135 AromaticContact ND1-CD1 3.6Å; H132-F135 AromaticContact ND1-CE1 3.34Å; H132-F135 VanDerWaalsContact ND1-CE1 3.34Å; H132-F135 WeakPolarHBondContact ND1-CE1 3.24Å; H132-F135 PolarHBondContact O-N 3.32Å; K133-F135 VanDerWaalsContact C-N 3.26Å; K133-F135 WeakPolarHBondContact O-CD1 2.93Å; K133-F135 PolarHBondContact O-N 3.47Å; F135-V151 PolarHBondContact O-N 3.38Å
136V81.6Confident77.3Confident1 Ų149.2 Ų49.21%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-105.3133.2175.9-171.80000109.1C67 F68 P70 Y148 A150 Y181C67-V136 WeakPolarHBondContact CA-O 3.32Å; F68-V136 HydrophobicContact CE2-CB 4.38Å; F68-V136 PolarHBondContact N-O 3.47Å; F68-V136 PolarHBondContact O-N 3.03Å; P70-V136 HydrophobicContact CB-CG2 3.85Å; P70-V136 HydrophobicContact CG-CG2 4.43Å; V136-Y148 HydrophobicContact CG1-CD1 4.04Å; V136-Y148 HydrophobicContact CG1-CG 4.12Å; V136-A150 HydrophobicContact CG2-CB 4.18Å; V136-Y181 HydrophobicContact CG1-CE1 4.45Å; V136-Y181 HydrophobicContact CG2-CE1 4.31Å; V136-Y181 WeakPolarHBondContact CG2-OH 3.4Å
137I84.9Confident77Confident0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-102.7123.5179-52.3175.7000108.3K66 L126 V129 V131 L139 Y148 V149 V151K66-I137 HydrophobicContact CG-CG2 4.38Å; K66-I137 CarbonylContact O-C 3.59Å; K66-I137 VanDerWaalsContact O-CA 3.22Å; K66-I137 WeakPolarHBondContact O-CA 3.44Å; L126-I137 HydrophobicContact CD2-CD1 3.43Å; L126-I137 VanDerWaalsContact CD2-CD1 3.43Å; L126-I137 HydrophobicContact CD2-CG2 4.31Å; V129-I137 HydrophobicContact CG1-CD1 4.41Å; V129-I137 HydrophobicContact CG1-CG2 4.4Å; V131-I137 HydrophobicContact CG1-CD1 4.47Å; V131-I137 HydrophobicContact CG2-CD1 3.65Å; I137-L139 HydrophobicContact CG2-CD2 4Å; I137-L139 HydrophobicContact CG2-CG 4.37Å; I137-Y148 CarbonylContact O-C 3.5Å; I137-Y148 VanDerWaalsContact O-CA 3.23Å; I137-Y148 WeakPolarHBondContact O-CA 3.39Å; I137-V149 HydrophobicContact CB-CB 4.39Å; I137-V149 PolarHBondContact N-O 2.82Å; I137-V149 PolarHBondContact O-N 3.32Å; I137-V151 HydrophobicContact CD1-CG2 4.03Å
138N80.8Confident76.9Confident31 Ų3149.8 Ų49.817%0.16625%0.25CC..EExtended strand (participates in β ladder)trans-83.4127.1172.4-168.10.6000110.5K66 F68 E140 R147 Y148K66-N138 PolarHBondContact O-N 2.76Å; F68-N138 HydrophobicContact CE1-CB 4.05Å; N138-E140 PolarHBondContact ND2-OE2 2.85Å; N138-E140 WeakPolarHBondContact OD1-CB 3.43Å; N138-E140 WeakPolarHBondContact OD1-CG 3.36Å; N138-E140 PolarHBondContact OD1-N 2.9Å; N138-E140 VanDerWaalsContact OD1-N 3.12Å; N138-R147 PolarHBondContact OD1-O 2.59Å; N138-Y148 HydrophobicContact CB-CD1 4.34Å; N138-Y148 HydrophobicContact CB-CE1 4.32Å
139L78.3Confident77.2Confident1 Ų147.3 Ų47.31%0.00522%0.224CC..  trans-119.421.3-179.2-63.3179.4000112.8M125 I137 E141 F142 I146 R147 V149M125-L139 HydrophobicContact CB-CD1 4.24Å; M125-L139 HydrophobicContact CB-CD2 4.23Å; M125-L139 HydrophobicContact SD-CD1 3.95Å; I137-L139 HydrophobicContact CG2-CD2 4Å; I137-L139 HydrophobicContact CG2-CG 4.37Å; L139-E141 PolarHBondContact O-N 3.05Å; L139-F142 HydrophobicContact CB-CD2 4.28Å; L139-F142 HydrophobicContact CD2-CD2 4.08Å; L139-F142 HydrophobicContact CD2-CE2 3.92Å; L139-F142 PolarHBondContact O-N 2.78Å; L139-I146 HydrophobicContact CD1-CG2 4Å; L139-R147 PolarHBondContact N-O 2.78Å; L139-V149 HydrophobicContact CD1-CB 4.43Å; L139-V149 HydrophobicContact CD1-CG2 3.5Å; L139-V149 VanDerWaalsContact CD1-CG2 3.5Å
140E69.9Low77.1Confident86 Ų8647.3 Ų47.340%0.40223%0.225SC..G310 helixtrans-54.8-20.9180-83.3179.2156.700115.5N138 R147N138-E140 PolarHBondContact ND2-OE2 2.85Å; N138-E140 WeakPolarHBondContact OD1-CB 3.43Å; N138-E140 WeakPolarHBondContact OD1-CG 3.36Å; N138-E140 PolarHBondContact OD1-N 2.9Å; N138-E140 VanDerWaalsContact OD1-N 3.12Å; E140-R147 IonicContact OE1-CZ 3.86Å; E140-R147 IonicContact OE1-NH1 2.77Å; E140-R147 PolarHBondContact OE1-NH1 3.27Å
141E66.8Low77.1Confident93 Ų9344.7 Ų44.744%0.43522%0.215SC..G310 helixtrans-71.7-28.8-177-50-163123.400114.1G15 L139 N143G15-E141 WeakPolarHBondContact CA-OE1 3.33Å; G15-E141 VanDerWaalsContact CA-OE2 3.28Å; G15-E141 WeakPolarHBondContact CA-OE2 3.18Å; G15-E141 PolarHBondContact N-OE1 2.89Å; L139-E141 PolarHBondContact O-N 3.05Å; E141-N143 PolarHBondContact O-N 3.48Å; E141-N143 VanDerWaalsContact O-N 3.12Å
142F66.6Low76.7Confident90 Ų9049.5 Ų49.540%0.39524%0.237SC..G310 helixtrans-79.65.9-168.9-70.2-77000113.7M125 L139 T144M125-F142 HydrophobicContact CB-CD2 4.4Å; M125-F142 HydrophobicContact CB-CE2 4.19Å; M125-F142 HydrophobicContact CB-CZ 4.48Å; M125-F142 HydrophobicContact CE-CB 3.86Å; M125-F142 HydrophobicContact CE-CG 4.25Å; M125-F142 HydrophobicContact CG-CD1 4.22Å; M125-F142 HydrophobicContact CG-CD2 3.94Å; M125-F142 HydrophobicContact CG-CE1 4.41Å; M125-F142 HydrophobicContact CG-CE2 4.14Å; M125-F142 HydrophobicContact CG-CG 3.98Å; M125-F142 HydrophobicContact CG-CZ 4.37Å; M125-F142 HydrophobicContact SD-CB 4.29Å; M125-F142 HydrophobicContact SD-CD2 4.21Å; M125-F142 HydrophobicContact SD-CG 4.25Å; L139-F142 HydrophobicContact CB-CD2 4.28Å; L139-F142 HydrophobicContact CD2-CD2 4.08Å; L139-F142 HydrophobicContact CD2-CE2 3.92Å; L139-F142 PolarHBondContact O-N 2.78Å; F142-T144 HydrophobicContact CB-CG2 4.44Å; F142-T144 WeakPolarHBondContact O-CG2 3.41Å; F142-T144 PolarHBondContact O-N 3.06Å
143N66.4Low76.3Confident162 Ų16248.5 Ų48.587%0.86624%0.238SC*.  trans46.527-176.4-156.226.9000113.8E141E141-N143 PolarHBondContact O-N 3.48Å; E141-N143 VanDerWaalsContact O-N 3.12Å
144T75.3Confident76.4Confident44 Ų4444.1 Ų44.127%0.2722%0.219SC..SBendtrans-100.3166.1175.651.40000110.8M125 F142 I146M125-T144 HydrophobicContact CE-CG2 3.52Å; M125-T144 WeakPolarHBondContact CE-OG1 3.24Å; F142-T144 HydrophobicContact CB-CG2 4.44Å; F142-T144 WeakPolarHBondContact O-CG2 3.41Å; F142-T144 PolarHBondContact O-N 3.06Å; T144-I146 PolarHBondContact O-N 2.93Å
145D72.3Confident76.4Confident58 Ų5840.3 Ų40.331%0.3121%0.206SC..SBendtrans-71.4-12.5174.6-75.5-39.9000113.4V104 R105 F109 R147V104-D145 CarbonylContact C-O 3.56Å; V104-D145 WeakPolarHBondContact CA-O 3.16Å; V104-D145 HydrophobicContact CG1-CB 3.91Å; V104-D145 WeakPolarHBondContact CG1-O 3.34Å; R105-D145 VanDerWaalsContact CB-O 3.32Å; R105-D145 WeakPolarHBondContact CB-O 3.34Å; R105-D145 PolarHBondContact N-O 3.41Å; F109-D145 HydrophobicContact CB-CB 4.21Å; F109-D145 HydrophobicContact CD2-CB 3.81Å; F109-D145 WeakPolarHBondContact CD2-OD2 3.36Å; F109-D145 HydrophobicContact CE2-CB 4.3Å; F109-D145 HydrophobicContact CG-CB 3.95Å; D145-R147 PolarHBondContact O-N 3.21Å
146I78.9Confident75.8Confident1 Ų142.7 Ų42.71%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-77.1120.2174-55.6169.5000108.8V102 F109 V122 L139 T144 V149V102-I146 HydrophobicContact CG1-CD1 4.26Å; V102-I146 HydrophobicContact CG1-CG1 4.16Å; V102-I146 HydrophobicContact CG1-CG2 3.69Å; F109-I146 HydrophobicContact CE1-CG1 4.39Å; V122-I146 HydrophobicContact CG2-CD1 3.78Å; L139-I146 HydrophobicContact CD1-CG2 4Å; T144-I146 PolarHBondContact O-N 2.93Å; I146-V149 HydrophobicContact CG2-CG2 4.21Å
147R73.2Confident74.9Confident60 Ų6051.4 Ų51.423%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-104.2-46.6-177.1-77.5-76.7170151-8.8112.6V103 R105 N138 L139 E140 D145 V178V103-R147 PolarHBondContact O-N 3Å; R105-R147 HydrophobicContact CB-CG 4.09Å; N138-R147 PolarHBondContact OD1-O 2.59Å; L139-R147 PolarHBondContact N-O 2.78Å; E140-R147 IonicContact OE1-CZ 3.86Å; E140-R147 IonicContact OE1-NH1 2.77Å; E140-R147 PolarHBondContact OE1-NH1 3.27Å; D145-R147 PolarHBondContact O-N 3.21Å; R147-V178 HydrophobicContact CB-CG2 3.8Å; R147-V178 HydrophobicContact CG-CG2 4.1Å
148Y79.8Confident73.8Confident21 Ų2157.6 Ų57.68%0.08231%0.307CS..EExtended strand (participates in β ladder)trans-132.1151-178.4-51.5-73.7000111.3F68 V103 V136 I137 N138 V178F68-Y148 HydrophobicContact CZ-CD1 4.49Å; F68-Y148 HydrophobicContact CZ-CE1 4.26Å; V103-Y148 WeakPolarHBondContact CA-O 3.42Å; V103-Y148 VanDerWaalsContact CB-O 3.28Å; V103-Y148 WeakPolarHBondContact CB-O 3.04Å; V103-Y148 HydrophobicContact CG1-CD2 4.3Å; V103-Y148 PolarHBondContact N-O 2.91Å; V103-Y148 PolarHBondContact O-N 3.33Å; V136-Y148 HydrophobicContact CG1-CD1 4.04Å; V136-Y148 HydrophobicContact CG1-CG 4.12Å; I137-Y148 CarbonylContact O-C 3.5Å; I137-Y148 VanDerWaalsContact O-CA 3.23Å; I137-Y148 WeakPolarHBondContact O-CA 3.39Å; N138-Y148 HydrophobicContact CB-CD1 4.34Å; N138-Y148 HydrophobicContact CB-CE1 4.32Å; Y148-V178 HydrophobicContact CD2-CG2 4.23Å; Y148-V178 HydrophobicContact CE2-CG1 4.09Å; Y148-V178 HydrophobicContact CE2-CG2 4.3Å
149V82.9Confident73.1Confident0 Ų057 Ų570%031%0.306CS..EExtended strand (participates in β ladder)trans-127.6118.7168.2175.70000107.9V100 T101 V122 L126 I137 L139 I146V100-V149 HydrophobicContact CB-CG1 3.66Å; V100-V149 HydrophobicContact CG1-CG1 3.66Å; V100-V149 HydrophobicContact CG2-CG1 4.37Å; T101-V149 CarbonylContact O-C 3.57Å; T101-V149 WeakPolarHBondContact O-CA 3.28Å; V122-V149 HydrophobicContact CG1-CG2 4.41Å; L126-V149 HydrophobicContact CD1-CG1 4.32Å; I137-V149 HydrophobicContact CB-CB 4.39Å; I137-V149 PolarHBondContact N-O 2.82Å; I137-V149 PolarHBondContact O-N 3.32Å; L139-V149 HydrophobicContact CD1-CB 4.43Å; L139-V149 HydrophobicContact CD1-CG2 3.5Å; L139-V149 VanDerWaalsContact CD1-CG2 3.5Å; I146-V149 HydrophobicContact CG2-CG2 4.21Å
150A81.6Confident72.6Confident5 Ų559.8 Ų59.84%0.04133%0.329CS..EExtended strand (participates in β ladder)trans-101.9127.8-179.400000110.9V100 T101 V136 H152 Y181V100-A150 CarbonylContact C-O 3.59Å; V100-A150 WeakPolarHBondContact CA-O 3.07Å; T101-A150 PolarHBondContact N-O 3.15Å; T101-A150 PolarHBondContact O-N 2.89Å; T101-A150 WeakPolarHBondContact OG1-CB 3.48Å; T101-A150 PolarHBondContact OG1-O 3.06Å; V136-A150 HydrophobicContact CG2-CB 4.18Å; A150-H152 PolarHBondContact O-ND1 2.92Å; A150-Y181 HydrophobicContact CB-CE2 4.03Å; A150-Y181 WeakPolarHBondContact CB-OH 3.38Å
151V83.3Confident72.8Confident3 Ų355.8 Ų55.82%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-96.8115.1-171.7177.40000109.2V98 V100 V131 E134 F135 I137 I154V98-V151 HydrophobicContact CG1-CG1 3.73Å; V98-V151 HydrophobicContact CG1-CG2 4.49Å; V100-V151 HydrophobicContact CG1-CG2 3.93Å; V131-V151 HydrophobicContact CG1-CB 3.86Å; V131-V151 HydrophobicContact CG1-CG1 3.71Å; V131-V151 HydrophobicContact CG1-CG2 3.44Å; V131-V151 VanDerWaalsContact CG1-CG2 3.44Å; E134-V151 VanDerWaalsContact CA-O 3.22Å; E134-V151 WeakPolarHBondContact CA-O 3.44Å; E134-V151 PolarHBondContact N-O 3.43Å; F135-V151 PolarHBondContact O-N 3.38Å; I137-V151 HydrophobicContact CD1-CG2 4.03Å; V151-I154 HydrophobicContact CG1-CD1 4.1Å; V151-I154 HydrophobicContact CG1-CG1 3.72Å
152H74.9Confident73.4Confident102 Ų10251.4 Ų51.447%0.47229%0.29SS..EExtended strand (participates in β ladder)trans-92.8-36.4-175.5-72.660.4000112.1K99 T101 A150K99-H152 PolarHBondContact O-N 2.79Å; T101-H152 WeakPolarHBondContact CG2-CE1 3.05Å; T101-H152 PolarHBondContact OG1-CE1 3.16Å; A150-H152 PolarHBondContact O-ND1 2.92Å
153G72.6Confident74.3Confident19 Ų1948.5 Ų48.520%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-149.1139.3-174.700000111.8K99K99-G153 PolarHBondContact N-O 2.77Å; K99-G153 PolarHBondContact O-N 2.89Å
154I80.2Confident75.1Confident11 Ų1141.2 Ų41.26%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-124.2132.8179.7-63.8178.7000108L95 V131 H132 K133 V151L95-I154 HydrophobicContact CD1-CD1 4.43Å; L95-I154 HydrophobicContact CD1-CG1 4.49Å; L95-I154 HydrophobicContact CD1-CG2 3.58Å; L95-I154 HydrophobicContact CD2-CG2 3.12Å; L95-I154 HydrophobicContact CG-CG2 3.87Å; V131-I154 HydrophobicContact CG1-CD1 4.03Å; H132-I154 VanDerWaalsContact C-CD1 3.47Å; K133-I154 HydrophobicContact CB-CD1 4.24Å; K133-I154 VanDerWaalsContact N-CD1 3.3Å; V151-I154 HydrophobicContact CG1-CD1 4.1Å; V151-I154 HydrophobicContact CG1-CG1 3.72Å
155C73.1Confident75.3Confident52 Ų5241.6 Ų41.635%0.35124%0.243SC..EExtended strand (participates in β ladder)trans-113.7121.8177.2-137.80000109.4K96 S97K96-C155 PolarHBondContact N-O 3.19Å; S97-C155 PolarHBondContact O-N 2.93Å; S97-C155 WeakPolarHBondContact OG-CB 3.11Å
156P68.1Low75.4Confident57 Ų5742.7 Ų42.737%0.3726%0.255SS..SBendcis-82.5141.51631.8-34.5000115.2S158 A159P156-S158 PolarHBondContact O-N 3.24Å; P156-A159 PolarHBondContact O-N 3.12Å; P156-A159 VanDerWaalsContact O-N 3.08Å
157E62.7Low75.2Confident184 Ų18452 Ų5286%0.8630%0.296SS*.THydrogen-bonded Turntrans-61.4-17.5-174-64.4-177.5166.200115.1A159E157-A159 VanDerWaalsContact C-N 3.33Å
158S63.3Low75.5Confident130 Ų13049.8 Ų49.891%0.90929%0.288SS*.THydrogen-bonded Turntrans-76.8-11.7175.6-65.50000114.7P156P156-S158 PolarHBondContact O-N 3.24Å
159A66.1Low75.2Confident19 Ų1950.7 Ų50.716%0.15730%0.304CS..  trans-99.8123.2-179.200000111.3T93 P156 E157T93-A159 WeakPolarHBondContact OG1-CB 3.27Å; P156-A159 PolarHBondContact O-N 3.12Å; P156-A159 VanDerWaalsContact O-N 3.08Å; E157-A159 VanDerWaalsContact C-N 3.33Å
160A68.1Low75.1Confident59 Ų5951.4 Ų51.449%0.48831%0.307SS..SBendtrans-74.1-31.6175.600000112.6H132 K133H132-A160 WeakPolarHBondContact CA-O 3.44Å; H132-A160 PolarHBondContact CD2-O 3.12Å; H132-A160 VanDerWaalsContact CD2-O 3.25Å; H132-A160 VanDerWaalsContact CG-O 3.29Å; K133-A160 PolarHBondContact N-O 2.98Å; K133-A160 VanDerWaalsContact N-O 3.09Å
161A72.8Confident75Confident2 Ų255.9 Ų55.92%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-134.7152.1179.500000112.2A90 C92 T93 V131A90-A161 HydrophobicContact CB-CB 4.47Å; C92-A161 WeakPolarHBondContact CA-O 3.4Å; C92-A161 WeakPolarHBondContact SG-CB 3.41Å; T93-A161 PolarHBondContact N-O 2.77Å; V131-A161 CarbonylContact O-C 3.53Å; V131-A161 VanDerWaalsContact O-CA 3.26Å; V131-A161 WeakPolarHBondContact O-CA 3.12Å
162G80.5Confident74.8Confident0 Ų056.7 Ų56.70%033%0.331CS..EExtended strand (participates in β ladder)trans-164.2167177.500000115.3T93 V131T93-G162 CarbonylContact O-C 3.43Å; T93-G162 WeakPolarHBondContact O-CA 3.2Å; V131-G162 PolarHBondContact N-O 2.96Å; V131-G162 PolarHBondContact O-N 2.8Å
163V83.9Confident74.6Confident30 Ų3055.3 Ų55.318%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-100.8134.4-178.3-178.70000110.4C92 T93 L95 Y130C92-V163 HydrophobicContact CB-CG2 4.28Å; T93-V163 PolarHBondContact O-N 2.87Å; L95-V163 PolarHBondContact N-O 3.4Å; Y130-V163 HydrophobicContact CD1-CG2 3.4Å; Y130-V163 VanDerWaalsContact CD1-CG2 3.4Å; Y130-V163 HydrophobicContact CE1-CG2 3.21Å; Y130-V163 HydrophobicContact CG-CG2 4.19Å
164I83.3Confident74.5Confident9 Ų959.1 Ų59.15%0.04634%0.343CS..  trans-83.4122.7174.4-61.5-178.1000110.2L95 L126 G128 V129 V131 I168L95-I164 HydrophobicContact CD1-CG1 4.46Å; L126-I164 HydrophobicContact CB-CD1 3.87Å; L126-I164 HydrophobicContact CB-CG2 4.13Å; L126-I164 HydrophobicContact CD1-CD1 4.28Å; L126-I164 HydrophobicContact CD2-CD1 4.41Å; L126-I164 HydrophobicContact CG-CD1 4.43Å; L126-I164 VanDerWaalsContact O-CB 3.29Å; L126-I164 WeakPolarHBondContact O-CB 3.41Å; L126-I164 VanDerWaalsContact O-CG2 3.26Å; L126-I164 WeakPolarHBondContact O-CG2 3.25Å; G128-I164 WeakPolarHBondContact CA-O 2.86Å; G128-I164 PolarHBondContact N-O 3.32Å; V129-I164 PolarHBondContact O-N 2.99Å; V131-I164 HydrophobicContact CB-CD1 4.45Å; V131-I164 HydrophobicContact CG2-CD1 3.46Å; V131-I164 VanDerWaalsContact CG2-CD1 3.46Å; V131-I164 HydrophobicContact CG2-CG1 3.89Å; I164-I168 VanDerWaalsContact CA-CD1 3.42Å; I164-I168 HydrophobicContact CB-CD1 3.99Å; I164-I168 HydrophobicContact CG1-CD1 4.3Å; I164-I168 HydrophobicContact CG2-CD1 3.74Å
165T80.5Confident74.2Confident51 Ų5160.2 Ų60.231%0.31335%0.349SS..  trans-108.6161.6172.6590000110.9K167 I168T165-K167 PolarHBondContact O-N 2.67Å; T165-K167 VanDerWaalsContact O-N 3.08Å; T165-I168 WeakPolarHBondContact O-CB 3.38Å; T165-I168 VanDerWaalsContact O-CG1 3.29Å; T165-I168 WeakPolarHBondContact O-CG1 3.46Å; T165-I168 PolarHBondContact O-N 2.98Å
166S74.3Confident74.1Confident82 Ų8258.3 Ų58.357%0.57333%0.334SS*.THydrogen-bonded Turntrans-62.4-16.3-177.251.70000115.4K123K123-S166 WeakPolarHBondContact CE-O 3.44Å
167K74.7Confident74.3Confident196 Ų19655.8 Ų55.885%0.85232%0.318SS*.THydrogen-bonded Turntrans-93.310.8-177.9-64.9-174.1177.1-177.10114.3T165T165-K167 PolarHBondContact O-N 2.67Å; T165-K167 VanDerWaalsContact O-N 3.08Å
168I78.3Confident74.6Confident14 Ų1448.1 Ų48.17%0.07228%0.284CS..  trans-78.7142-173.7-72.9177.4000112.2L95 V98 I164 T165 L170L95-I168 HydrophobicContact CB-CD1 3.95Å; L95-I168 WeakPolarHBondContact O-CD1 3.39Å; L95-I168 VanDerWaalsContact O-CG1 3.29Å; L95-I168 WeakPolarHBondContact O-CG1 3.36Å; V98-I168 HydrophobicContact CG2-CG2 4.1Å; I164-I168 VanDerWaalsContact CA-CD1 3.42Å; I164-I168 HydrophobicContact CB-CD1 3.99Å; I164-I168 HydrophobicContact CG1-CD1 4.3Å; I164-I168 HydrophobicContact CG2-CD1 3.74Å; T165-I168 WeakPolarHBondContact O-CB 3.38Å; T165-I168 VanDerWaalsContact O-CG1 3.29Å; T165-I168 WeakPolarHBondContact O-CG1 3.46Å; T165-I168 PolarHBondContact O-N 2.98Å; I168-L170 PolarHBondContact O-N 3Å
169G75.3Confident74.7Confident39 Ų3949 Ų4940%0.40227%0.273SS..EExtended strand (participates in β ladder)trans-77.5106.9164.600000110.6K96 S97 V98K96-G169 PolarHBondContact O-N 3.26Å; K96-G169 VanDerWaalsContact O-N 3.14Å; S97-G169 CarbonylContact C-O 3.6Å; S97-G169 WeakPolarHBondContact CA-O 3.48Å; S97-G169 VanDerWaalsContact CB-O 3.29Å; S97-G169 WeakPolarHBondContact CB-O 3.25Å; V98-G169 PolarHBondContact N-O 2.94Å
170L79.3Confident74.8Confident15 Ų1549.4 Ų49.48%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-89.8122.2174.9-170.9102.6000109.3V100 H119 V122 L126 I168 I172V100-L170 HydrophobicContact CG1-CD1 4.46Å; V100-L170 HydrophobicContact CG2-CD1 3.76Å; V100-L170 HydrophobicContact CG2-CD2 4.11Å; V100-L170 HydrophobicContact CG2-CG 3.83Å; H119-L170 PolarHBondContact NE2-O 3.35Å; V122-L170 HydrophobicContact CB-CD2 4.23Å; V122-L170 HydrophobicContact CG1-CD1 4.18Å; V122-L170 HydrophobicContact CG1-CD2 3.86Å; L126-L170 HydrophobicContact CD1-CD1 3.67Å; I168-L170 PolarHBondContact O-N 3Å; L170-I172 HydrophobicContact CD2-CD1 3.89Å; L170-I172 HydrophobicContact CD2-CG1 3.62Å; L170-I172 HydrophobicContact CG-CG1 4.46Å
171E79.3Confident74.7Confident100 Ų10047.3 Ų47.347%0.46725%0.25SS..EExtended strand (participates in β ladder)trans-108.9106.7173.3-73.8177.7-167.300108.9V98 K99 V100 T173V98-E171 PolarHBondContact O-N 3.46Å; K99-E171 WeakPolarHBondContact CA-O 3.31Å; K99-E171 WeakPolarHBondContact CE-OE2 3.28Å; K99-E171 HydrophobicContact CG-CB 4.02Å; V100-E171 PolarHBondContact N-O 3.16Å; E171-T173 PolarHBondContact O-N 3.38Å
172I80.1Confident74.4Confident19 Ų1951.6 Ų51.610%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-82.1114.1173.3-60.2170.7000107.5V100 V102 F115 V118 H119 L170 I175V100-I172 HydrophobicContact CG2-CG1 4.07Å; V100-I172 WeakPolarHBondContact O-CA 3.47Å; V102-I172 HydrophobicContact CG2-CD1 4.12Å; V102-I172 HydrophobicContact CG2-CG1 4.17Å; V102-I172 HydrophobicContact CG2-CG2 4.03Å; F115-I172 HydrophobicContact CE2-CB 4.18Å; F115-I172 HydrophobicContact CE2-CG2 4.09Å; F115-I172 HydrophobicContact CZ-CB 3.86Å; F115-I172 HydrophobicContact CZ-CG2 4.28Å; V118-I172 HydrophobicContact CG1-CD1 4.32Å; H119-I172 HydrophobicContact CB-CD1 4.25Å; L170-I172 HydrophobicContact CD2-CD1 3.89Å; L170-I172 HydrophobicContact CD2-CG1 3.62Å; L170-I172 HydrophobicContact CG-CG1 4.46Å; I172-I175 HydrophobicContact CG2-CG1 4.11Å
173T71.7Confident73.6Confident73 Ų7353.4 Ų53.445%0.44828%0.281SS..EExtended strand (participates in β ladder)trans-80-50179.747.60000111.1K99 V100 T101 E171K99-T173 HydrophobicContact CB-CG2 4.35Å; V100-T173 PolarHBondContact O-N 2.95Å; V100-T173 PolarHBondContact O-OG1 3.04Å; T101-T173 WeakPolarHBondContact CG2-OG1 3.35Å; E171-T173 PolarHBondContact O-N 3.38Å
174E69.1Low72.8Confident100 Ų10055.1 Ų55.147%0.46729%0.288SS..EExtended strand (participates in β ladder)trans-147.1151.1178.3-65.5-170.5167.600112.6T101 V102 Q176T101-E174 WeakPolarHBondContact CA-O 3.44Å; T101-E174 HydrophobicContact CG2-CB 4.17Å; V102-E174 PolarHBondContact N-O 3.48Å; E174-Q176 HydrophobicContact CB-CG 4.3Å; E174-Q176 PolarHBondContact OE2-NE2 2.93Å
175I74.1Confident71.7Confident33 Ų3356.8 Ų56.817%0.16930%0.296CS..EExtended strand (participates in β ladder)trans-108.5113169.4-55.2173.8000108.2V102 V104 K110 F115 V118 I172V102-I175 WeakPolarHBondContact O-CA 3.38Å; V104-I175 HydrophobicContact CG2-CG2 3.66Å; K110-I175 HydrophobicContact CG-CG2 4.48Å; K110-I175 PolarHBondContact NZ-O 3.1Å; F115-I175 HydrophobicContact CD2-CD1 4.05Å; F115-I175 HydrophobicContact CE2-CD1 4.33Å; V118-I175 HydrophobicContact CG1-CD1 4.37Å; I172-I175 HydrophobicContact CG2-CG1 4.11Å
176Q71.8Confident70.6Confident12 Ų1261.8 Ų61.86%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-119160.7-176.9-62.4-175.2-2.300110.6V102 V103 V104 E174V102-Q176 PolarHBondContact O-N 2.71Å; V103-Q176 CarbonylContact C-O 3.45Å; V103-Q176 VanDerWaalsContact CA-O 3.26Å; V103-Q176 WeakPolarHBondContact CA-O 3.37Å; V104-Q176 PolarHBondContact N-O 3.21Å; E174-Q176 HydrophobicContact CB-CG 4.3Å; E174-Q176 PolarHBondContact OE2-NE2 2.93Å
177T72.1Confident69.6Low5 Ų558.9 Ų58.93%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-89.8159.2171.962.70000111.8V104 L107 Q179 R180 Y181 E286V104-T177 CarbonylContact O-C 3.59Å; V104-T177 WeakPolarHBondContact O-CA 3.5Å; L107-T177 HydrophobicContact CG-CG2 4.29Å; T177-Q179 PolarHBondContact O-N 3.22Å; T177-R180 PolarHBondContact O-N 3.05Å; T177-R180 PolarHBondContact OG1-N 3.08Å; T177-Y181 WeakPolarHBondContact O-CB 3.28Å; T177-Y181 PolarHBondContact O-N 3.09Å; T177-E286 VanDerWaalsContact CG2-CD 3.45Å; T177-E286 WeakPolarHBondContact CG2-OE1 2.99Å; T177-E286 VanDerWaalsContact OG1-CD 3.26Å; T177-E286 PolarHBondContact OG1-OE1 3.39Å; T177-E286 VanDerWaalsContact OG1-OE1 3.09Å; T177-E286 PolarHBondContact OG1-OE2 2.96Å
178V68.3Low68.6Low22 Ų2255.4 Ų55.413%0.13328%0.28CS..Hα-helixtrans-56.7-34.5174.9178.10000111.4V103 V104 R147 Y148 K182V103-V178 VanDerWaalsContact CG1-CA 3.48Å; V103-V178 HydrophobicContact CG1-CB 4.2Å; V103-V178 HydrophobicContact CG1-CG2 3.74Å; V104-V178 PolarHBondContact O-N 3.35Å; R147-V178 HydrophobicContact CB-CG2 3.8Å; R147-V178 HydrophobicContact CG-CG2 4.1Å; Y148-V178 HydrophobicContact CD2-CG2 4.23Å; Y148-V178 HydrophobicContact CE2-CG1 4.09Å; Y148-V178 HydrophobicContact CE2-CG2 4.3Å; V178-K182 HydrophobicContact CG1-CD 4.01Å; V178-K182 HydrophobicContact CG1-CG 4.32Å; V178-K182 WeakPolarHBondContact O-CB 3.2Å; V178-K182 VanDerWaalsContact O-CG 3.29Å; V178-K182 WeakPolarHBondContact O-CG 3.26Å; V178-K182 PolarHBondContact O-N 3.41Å
179Q66.6Low67.5Low148 Ų14862.3 Ų62.369%0.69231%0.312SS*.Hα-helixtrans-67.4-50.2179.6-67.6-176.8-4.800111.2T177 Y181 K182 S183T177-Q179 PolarHBondContact O-N 3.22Å; Q179-Y181 VanDerWaalsContact C-N 3.33Å; Q179-Y181 PolarHBondContact O-N 2.83Å; Q179-K182 PolarHBondContact O-N 3.42Å; Q179-S183 PolarHBondContact O-N 3.49Å; Q179-S183 PolarHBondContact O-OG 3.26Å
180R66.4Low66.7Low29 Ų2962 Ų6211%0.10930%0.303CS..Hα-helixtrans-61-42.6176.9-175.2172.8-179.1177.3-1.6112.3T177 S183 Q184 E286T177-R180 PolarHBondContact O-N 3.05Å; T177-R180 PolarHBondContact OG1-N 3.08Å; R180-S183 PolarHBondContact O-N 2.69Å; R180-Q184 WeakPolarHBondContact O-CG 3.35Å; R180-Q184 PolarHBondContact O-N 3.38Å; R180-E286 PolarHBondContact NH1-O 3.39Å
181Y67Low65.8Low14 Ų1463.1 Ų63.16%0.05531%0.31CS..Hα-helixtrans-62.8-44.2178-169.6-108.5000111.6I73 V103 V136 A150 T177 Q179 Q184 M185I73-Y181 HydrophobicContact CD1-CD1 4.2Å; I73-Y181 HydrophobicContact CD1-CE1 3.72Å; V103-Y181 HydrophobicContact CG1-CG 4.24Å; V103-Y181 HydrophobicContact CG2-CD1 4.24Å; V103-Y181 HydrophobicContact CG2-CD2 4Å; V103-Y181 HydrophobicContact CG2-CE2 4.47Å; V103-Y181 HydrophobicContact CG2-CG 3.89Å; V136-Y181 HydrophobicContact CG1-CE1 4.45Å; V136-Y181 HydrophobicContact CG2-CE1 4.31Å; V136-Y181 WeakPolarHBondContact CG2-OH 3.4Å; A150-Y181 HydrophobicContact CB-CE2 4.03Å; A150-Y181 WeakPolarHBondContact CB-OH 3.38Å; T177-Y181 WeakPolarHBondContact O-CB 3.28Å; T177-Y181 PolarHBondContact O-N 3.09Å; Q179-Y181 VanDerWaalsContact C-N 3.33Å; Q179-Y181 PolarHBondContact O-N 2.83Å; Y181-Q184 PolarHBondContact O-N 3.22Å; Y181-M185 HydrophobicContact CE1-CG 4.39Å; Y181-M185 HydrophobicContact CE2-CE 4.37Å; Y181-M185 VanDerWaalsContact O-CG 3.28Å; Y181-M185 WeakPolarHBondContact O-CG 3.29Å; Y181-M185 PolarHBondContact O-N 3.18Å
182K66.6Low65.3Low92 Ų9261.6 Ų61.640%0.431%0.309SS..Hα-helixtrans-64.9-39.4175.7-77.1-178.5178.5-175.70113V178 Q179 M185 Q186V178-K182 HydrophobicContact CG1-CD 4.01Å; V178-K182 HydrophobicContact CG1-CG 4.32Å; V178-K182 WeakPolarHBondContact O-CB 3.2Å; V178-K182 VanDerWaalsContact O-CG 3.29Å; V178-K182 WeakPolarHBondContact O-CG 3.26Å; V178-K182 PolarHBondContact O-N 3.41Å; Q179-K182 PolarHBondContact O-N 3.42Å; K182-M185 PolarHBondContact O-N 3.28Å; K182-Q186 PolarHBondContact O-N 3.29Å
183S64Low65.1Low38 Ų3862.8 Ų62.827%0.26632%0.315SS..Hα-helixtrans-61.4-48.3176.2-67.60000111.5Q179 R180 M185 Q186 D187Q179-S183 PolarHBondContact O-N 3.49Å; Q179-S183 PolarHBondContact O-OG 3.26Å; R180-S183 PolarHBondContact O-N 2.69Å; S183-M185 PolarHBondContact O-N 3.24Å; S183-Q186 PolarHBondContact O-N 2.95Å; S183-D187 WeakPolarHBondContact O-CB 3.44Å; S183-D187 VanDerWaalsContact O-CG 3.26Å; S183-D187 PolarHBondContact O-N 3.43Å; S183-D187 VanDerWaalsContact O-OD2 3.1Å
184Q66.5Low65.3Low67 Ų6759.8 Ų59.831%0.31330%0.299SS..Hα-helixtrans-58.6-31.9176.7-74.2-179-13.700113.1R180 Y181R180-Q184 WeakPolarHBondContact O-CG 3.35Å; R180-Q184 PolarHBondContact O-N 3.38Å; Y181-Q184 PolarHBondContact O-N 3.22Å
185M60.3Low65.7Low43 Ų4355 Ų5521%0.21228%0.277CS..Hα-helixtrans-81.7-41.9-179.9-64.4-60.6110.400113.4P70 Y181 K182 S183 D187 Q188P70-M185 HydrophobicContact CB-SD 3.68Å; P70-M185 HydrophobicContact CG-SD 4.32Å; Y181-M185 HydrophobicContact CE1-CG 4.39Å; Y181-M185 HydrophobicContact CE2-CE 4.37Å; Y181-M185 VanDerWaalsContact O-CG 3.28Å; Y181-M185 WeakPolarHBondContact O-CG 3.29Å; Y181-M185 PolarHBondContact O-N 3.18Å; K182-M185 PolarHBondContact O-N 3.28Å; S183-M185 PolarHBondContact O-N 3.24Å; M185-D187 PolarHBondContact O-N 3.47Å; M185-Q188 PolarHBondContact O-N 2.96Å
186Q57.5Low66.1Low157 Ų15754.3 Ų54.373%0.73427%0.273SS*.Hα-helixtrans-60.8-28.2175.5-78.9-176-13.400112.1K182 S183K182-Q186 PolarHBondContact O-N 3.29Å; S183-Q186 PolarHBondContact O-N 2.95Å
187D53.3Low66.5Low20 Ų2058.8 Ų58.811%0.10729%0.294CS..Hα-helixtrans-78.9-22.8-177.5-77.8-25000113.2S183 M185 H189 T190 M247S183-D187 WeakPolarHBondContact O-CB 3.44Å; S183-D187 VanDerWaalsContact O-CG 3.26Å; S183-D187 PolarHBondContact O-N 3.43Å; S183-D187 VanDerWaalsContact O-OD2 3.1Å; M185-D187 PolarHBondContact O-N 3.47Å; D187-H189 PolarHBondContact O-N 2.94Å; D187-T190 WeakPolarHBondContact O-CG2 3.32Å; D187-T190 PolarHBondContact O-N 3.23Å; D187-T190 VanDerWaalsContact O-N 3.14Å; D187-T190 PolarHBondContact O-OG1 2.73Å; D187-T190 VanDerWaalsContact O-OG1 3.07Å; D187-M247 HydrophobicContact CB-CE 3.87Å; D187-M247 HydrophobicContact CB-CG 3.68Å; D187-M247 HydrophobicContact CB-SD 3.65Å; D187-M247 WeakPolarHBondContact O-CE 3.01Å
188Q53.5Low67Low123 Ų12364.3 Ų64.358%0.57532%0.32SS*.THydrogen-bonded Turntrans-61.4-16-179.6-75.1-173.9-6.600115M185M185-Q188 PolarHBondContact O-N 2.96Å
189H55.5Low67.7Low160 Ų16064.6 Ų64.674%0.74132%0.321SS*.THydrogen-bonded Turntrans-97.619178.3-73.91.2000114D187D187-H189 PolarHBondContact O-N 2.94Å
190T56.9Low68.7Low33 Ų3358.3 Ų58.320%0.20229%0.294CS..PPolyproline II helixtrans-69.1140.2177.546.40000112.4D187 M247D187-T190 WeakPolarHBondContact O-CG2 3.32Å; D187-T190 PolarHBondContact O-N 3.23Å; D187-T190 VanDerWaalsContact O-N 3.14Å; D187-T190 PolarHBondContact O-OG1 2.73Å; D187-T190 VanDerWaalsContact O-OG1 3.07Å; T190-M247 HydrophobicContact CG2-SD 3.66Å; T190-M247 PolarHBondContact OG1-SD 2.95Å
191P62.3Low69.6Low37 Ų3759 Ų5924%0.2431%0.305CS..PPolyproline II helixtrans-55.7149.7173.4-18.226.7000113L193 R376P191-L193 PolarHBondContact O-N 3.45Å; P191-R376 VanDerWaalsContact CB-CZ 3.45Å; P191-R376 VanDerWaalsContact CG-NH2 3.3Å
192P67.9Low70.5Confident68 Ų6860.4 Ų60.444%0.44232%0.317SS..PPolyproline II helixtrans-53.4140.1154.8-3.916000107.7V372P192-V372 HydrophobicContact CB-CG1 3.89Å; P192-V372 HydrophobicContact CB-CG2 4.07Å; P192-V372 HydrophobicContact CG-CG1 3.97Å; P192-V372 WeakPolarHBondContact O-CG1 3.48Å
193L75.6Confident71.5Confident44 Ų4456.2 Ų56.223%0.2330%0.3CS..  trans-104.5125.1171.7-171.4143.1000106.9P191 L196 V240 L241P191-L193 PolarHBondContact O-N 3.45Å; L193-L196 HydrophobicContact CD1-CD1 4.45Å; L193-L196 HydrophobicContact CD2-CB 3.56Å; L193-L196 HydrophobicContact CD2-CD1 4.05Å; L193-L196 HydrophobicContact CD2-CG 4.01Å; L193-V240 HydrophobicContact CD1-CB 4.37Å; L193-V240 HydrophobicContact CD1-CG1 4.03Å; L193-L241 HydrophobicContact CD1-CB 4.14Å; L193-L241 HydrophobicContact CD1-CD1 4.17Å; L193-L241 HydrophobicContact CD2-CD1 4.32Å
194G75.4Confident72.6Confident10 Ų1058.1 Ų58.110%0.10330%0.301CS..  trans-103.4142.1175.800000111.1L196 I369G194-L196 PolarHBondContact O-N 3.25Å; G194-I369 WeakPolarHBondContact O-CG1 3.49Å
195G78.4Confident73.4Confident1 Ų160.8 Ų60.81%0.0131%0.313CS..SBendtrans82.44163.600000116.4E197 Q365G195-E197 VanDerWaalsContact C-OE2 3.28Å; G195-E197 WeakPolarHBondContact CA-OE2 3.21Å; G195-E197 PolarHBondContact N-OE1 3.13Å; G195-E197 PolarHBondContact N-OE2 2.77Å; G195-Q365 WeakPolarHBondContact O-CG 3.24Å; G195-Q365 PolarHBondContact O-NE2 3.48Å; G195-Q365 VanDerWaalsContact O-NE2 3.11Å
196L81.1Confident74.5Confident17 Ų1760.8 Ų60.89%0.08931%0.313CS..  trans-117.733.6170.3-56.2170.5000111.3L193 G194 E198 V199 S200 L241 I358L193-L196 HydrophobicContact CD1-CD1 4.45Å; L193-L196 HydrophobicContact CD2-CB 3.56Å; L193-L196 HydrophobicContact CD2-CD1 4.05Å; L193-L196 HydrophobicContact CD2-CG 4.01Å; G194-L196 PolarHBondContact O-N 3.25Å; L196-E198 PolarHBondContact O-N 3.06Å; L196-V199 HydrophobicContact CB-CB 4.41Å; L196-V199 HydrophobicContact CD2-CG2 4.48Å; L196-V199 PolarHBondContact O-N 3.26Å; L196-S200 WeakPolarHBondContact O-CB 3.29Å; L196-S200 PolarHBondContact O-N 2.95Å; L196-S200 PolarHBondContact O-OG 3.43Å; L196-L241 HydrophobicContact CB-CD1 4.13Å; L196-L241 HydrophobicContact CD1-CD1 4.29Å; L196-L241 HydrophobicContact CD1-CD2 4.32Å; L196-I358 HydrophobicContact CD2-CG2 4.05Å
197E82.1Confident75.8Confident106 Ų10653.5 Ų53.550%0.49528%0.28SS..Hα-helixtrans-59.2-46.1-175.2-66.176.7-162.200111.7G195 S200 A201G195-E197 VanDerWaalsContact C-OE2 3.28Å; G195-E197 WeakPolarHBondContact CA-OE2 3.21Å; G195-E197 PolarHBondContact N-OE1 3.13Å; G195-E197 PolarHBondContact N-OE2 2.77Å; E197-S200 WeakPolarHBondContact CA-OG 3.49Å; E197-S200 PolarHBondContact O-N 3.14Å; E197-S200 PolarHBondContact O-OG 3.34Å; E197-A201 WeakPolarHBondContact O-CB 3.38Å; E197-A201 PolarHBondContact O-N 3.3Å
198E81.6Confident77.2Confident122 Ų12256.2 Ų56.257%0.5729%0.292SS*.Hα-helixtrans-61.4-50178.2-67.1169.4-172.500112.3L196 S200 A201 S202L196-E198 PolarHBondContact O-N 3.06Å; E198-S200 VanDerWaalsContact C-N 3.3Å; E198-S200 PolarHBondContact O-N 3.17Å; E198-A201 PolarHBondContact O-N 3.16Å; E198-S202 WeakPolarHBondContact O-CB 3.28Å; E198-S202 PolarHBondContact O-N 3.29Å
199V84.1Confident78.5Confident27 Ų2754.2 Ų54.216%0.16428%0.284CS..Hα-helixtrans-63.7-39.8178.9-174.90000110.3L196 S202 L203 L241 V356 I358L196-V199 HydrophobicContact CB-CB 4.41Å; L196-V199 HydrophobicContact CD2-CG2 4.48Å; L196-V199 PolarHBondContact O-N 3.26Å; V199-S202 PolarHBondContact O-N 3.18Å; V199-L203 HydrophobicContact CG1-CD1 4.24Å; V199-L203 WeakPolarHBondContact O-CB 3.42Å; V199-L203 WeakPolarHBondContact O-CG 3.34Å; V199-L203 PolarHBondContact O-N 3.35Å; V199-L241 HydrophobicContact CG1-CD2 3.81Å; V199-V356 HydrophobicContact CG1-CG1 3.62Å; V199-I358 HydrophobicContact CG1-CD1 4.18Å; V199-I358 HydrophobicContact CG1-CG1 3.95Å
200S86.1Confident79.6Confident17 Ų1747.1 Ų47.112%0.11925%0.252CS..Hα-helixtrans-64.5-39.6176.677.60000111.9L196 E197 E198 R204L196-S200 WeakPolarHBondContact O-CB 3.29Å; L196-S200 PolarHBondContact O-N 2.95Å; L196-S200 PolarHBondContact O-OG 3.43Å; E197-S200 WeakPolarHBondContact CA-OG 3.49Å; E197-S200 PolarHBondContact O-N 3.14Å; E197-S200 PolarHBondContact O-OG 3.34Å; E198-S200 VanDerWaalsContact C-N 3.3Å; E198-S200 PolarHBondContact O-N 3.17Å; S200-R204 WeakPolarHBondContact O-CB 2.99Å; S200-R204 PolarHBondContact O-N 2.82Å
201A86.2Confident80.5Confident42 Ų4246 Ų4635%0.34725%0.245SC..Hα-helixtrans-66.9-44.617700000111.2E197 E198 R204 E205E197-A201 WeakPolarHBondContact O-CB 3.38Å; E197-A201 PolarHBondContact O-N 3.3Å; E198-A201 PolarHBondContact O-N 3.16Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; A201-R204 PolarHBondContact O-N 3.04Å; A201-E205 PolarHBondContact O-N 2.87Å
202S85.6Confident81.1Confident44 Ų4448.4 Ų48.431%0.30826%0.255SS..Hα-helixtrans-59.5-47.2175.4-176.70000111.6E198 V199 R204 E205 M206E198-S202 WeakPolarHBondContact O-CB 3.28Å; E198-S202 PolarHBondContact O-N 3.29Å; V199-S202 PolarHBondContact O-N 3.18Å; S202-R204 PolarHBondContact O-N 3.39Å; S202-E205 PolarHBondContact O-N 3.11Å; S202-M206 VanDerWaalsContact O-CG 3.27Å; S202-M206 WeakPolarHBondContact O-CG 3.4Å; S202-M206 PolarHBondContact O-N 3.05Å; S202-M206 WeakPolarHBondContact OG-CE 3.39Å
203L87.3Confident81.5Confident5 Ų551.1 Ų51.13%0.02626%0.258CS..Hα-helixtrans-65-39.2174.5-72.6175000112.3V199 E205 M206 L207 V228 L230 L241 V245 V356V199-L203 HydrophobicContact CG1-CD1 4.24Å; V199-L203 WeakPolarHBondContact O-CB 3.42Å; V199-L203 WeakPolarHBondContact O-CG 3.34Å; V199-L203 PolarHBondContact O-N 3.35Å; L203-E205 PolarHBondContact O-N 3.33Å; L203-M206 PolarHBondContact O-N 3.49Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 VanDerWaalsContact O-CG 3.25Å; L203-L207 WeakPolarHBondContact O-CG 3.09Å; L203-L207 PolarHBondContact O-N 2.79Å; L203-V228 HydrophobicContact CD2-CG1 3.78Å; L203-L230 HydrophobicContact CD1-CD1 4.46Å; L203-L230 HydrophobicContact CD1-CD2 3.77Å; L203-L230 HydrophobicContact CD2-CD2 3.68Å; L203-L230 HydrophobicContact CG-CD2 4.3Å; L203-L241 HydrophobicContact CD1-CD2 3.51Å; L203-L241 HydrophobicContact CD1-CG 3.94Å; L203-V245 HydrophobicContact CB-CG1 4.31Å; L203-V245 HydrophobicContact CB-CG2 4.33Å; L203-V356 HydrophobicContact CD2-CB 4.38Å; L203-V356 HydrophobicContact CD2-CG2 3.87Å
204R86.6Confident81.4Confident77 Ų7750.9 Ų50.929%0.29126%0.259SS..Hα-helixtrans-59.5-48177.7-169.8-174.5-55.3115.64.8110.6S200 A201 S202 M206 L207 Q208 V245 E248 V249S200-R204 WeakPolarHBondContact O-CB 2.99Å; S200-R204 PolarHBondContact O-N 2.82Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; A201-R204 PolarHBondContact O-N 3.04Å; S202-R204 PolarHBondContact O-N 3.39Å; R204-M206 PolarHBondContact O-N 3.12Å; R204-L207 PolarHBondContact O-N 3.46Å; R204-Q208 WeakPolarHBondContact O-CB 3.44Å; R204-Q208 PolarHBondContact O-N 3.19Å; R204-V245 VanDerWaalsContact CA-CG1 3.49Å; R204-V245 HydrophobicContact CB-CG1 3.86Å; R204-V245 HydrophobicContact CG-CG1 4.37Å; R204-E248 IonicContact CZ-OE2 3.21Å; R204-E248 IonicContact NE-OE2 2.87Å; R204-E248 PolarHBondContact NE-OE2 2.91Å; R204-E248 IonicContact NH2-OE2 2.72Å; R204-E248 PolarHBondContact NH2-OE2 3.34Å; R204-V249 HydrophobicContact CG-CG2 4.24Å
205E84.2Confident81.4Confident123 Ų12356.8 Ų56.858%0.57529%0.288SS*.Hα-helixtrans-60.3-46.4176.4-172.4-176.8175.100111.4A201 S202 L203 L207 Q208 L209A201-E205 PolarHBondContact O-N 2.87Å; S202-E205 PolarHBondContact O-N 3.11Å; L203-E205 PolarHBondContact O-N 3.33Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.48Å; E205-Q208 PolarHBondContact O-N 3.45Å; E205-L209 HydrophobicContact CG-CD1 3.88Å; E205-L209 HydrophobicContact CG-CG 4.39Å; E205-L209 WeakPolarHBondContact O-CG 3.19Å; E205-L209 PolarHBondContact O-N 3.29Å; E205-L209 VanDerWaalsContact O-N 3.11Å
206M83.1Confident81.4Confident43 Ų4360 Ų6021%0.21231%0.308CS..Hα-helixtrans-62.8-32.4178.4-71.8-176.8-163.700113.5S202 L203 R204 P210 V228 R354 V356S202-M206 VanDerWaalsContact O-CG 3.27Å; S202-M206 WeakPolarHBondContact O-CG 3.4Å; S202-M206 PolarHBondContact O-N 3.05Å; S202-M206 WeakPolarHBondContact OG-CE 3.39Å; L203-M206 PolarHBondContact O-N 3.49Å; R204-M206 PolarHBondContact O-N 3.12Å; M206-P210 WeakPolarHBondContact O-CD 3.23Å; M206-P210 VanDerWaalsContact O-CG 3.25Å; M206-P210 WeakPolarHBondContact O-CG 3.37Å; M206-V228 HydrophobicContact SD-CG1 4.38Å; M206-V228 HydrophobicContact SD-CG2 4.47Å; M206-R354 HydrophobicContact SD-CB 4.11Å; M206-R354 HydrophobicContact SD-CG 4.31Å; M206-V356 HydrophobicContact CE-CG2 4.09Å; M206-V356 HydrophobicContact SD-CG2 4.07Å
207L83.9Confident81.2Confident5 Ų560.7 Ų60.73%0.02631%0.311CS..Hα-helixtrans-81.8-41.2176.1-67.3-173.2000111.6L203 R204 E205 L211 V245 V246 V249 V290 L331 V333L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 VanDerWaalsContact O-CG 3.25Å; L203-L207 WeakPolarHBondContact O-CG 3.09Å; L203-L207 PolarHBondContact O-N 2.79Å; R204-L207 PolarHBondContact O-N 3.46Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.48Å; L207-L211 HydrophobicContact CB-CD1 4.43Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 VanDerWaalsContact O-CD1 3.31Å; L207-L211 WeakPolarHBondContact O-CD1 3.13Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 3.33Å; L207-V245 HydrophobicContact CD1-CB 4.36Å; L207-V245 HydrophobicContact CD1-CG1 3.75Å; L207-V246 HydrophobicContact CD1-CG2 3.99Å; L207-V249 HydrophobicContact CB-CG2 4.22Å; L207-V290 HydrophobicContact CD2-CG2 4.44Å; L207-L331 HydrophobicContact CD2-CD2 3.12Å; L207-L331 HydrophobicContact CD2-CG 4.47Å; L207-V333 HydrophobicContact CD2-CG2 4.13Å
208Q83.8Confident80.7Confident77 Ų7760 Ų6036%0.3631%0.314SS..Hα-helixtrans-68.8-41.7-172.6-172.8174.5-2.400112.2R204 E205 L211 L212R204-Q208 WeakPolarHBondContact O-CB 3.44Å; R204-Q208 PolarHBondContact O-N 3.19Å; E205-Q208 PolarHBondContact O-N 3.45Å; Q208-L211 PolarHBondContact O-N 3.26Å; Q208-L212 HydrophobicContact CG-CD1 3.36Å; Q208-L212 HydrophobicContact CG-CG 3.95Å; Q208-L212 WeakPolarHBondContact O-CB 3.41Å; Q208-L212 PolarHBondContact O-N 2.68Å
209L80.4Confident80.7Confident81 Ų8158.9 Ų58.942%0.42432%0.32SS..Hα-helixtrans-60.8-52.4-177.6-71.8171.3000112.4E205 L211 Y213E205-L209 HydrophobicContact CG-CD1 3.88Å; E205-L209 HydrophobicContact CG-CG 4.39Å; E205-L209 WeakPolarHBondContact O-CG 3.19Å; E205-L209 PolarHBondContact O-N 3.29Å; E205-L209 VanDerWaalsContact O-N 3.11Å; L209-L211 PolarHBondContact O-N 3.35Å; L209-Y213 PolarHBondContact O-N 3.29Å; L209-Y213 VanDerWaalsContact O-N 3.16Å
210P77.9Confident80.6Confident10 Ų1063.6 Ų63.67%0.06534%0.344CS..Hα-helixtrans-58.4-41.9172.9-30.838.9000115M206 C224 P225M206-P210 WeakPolarHBondContact O-CD 3.23Å; M206-P210 VanDerWaalsContact O-CG 3.25Å; M206-P210 WeakPolarHBondContact O-CG 3.37Å; P210-C224 VanDerWaalsContact CB-SG 3.54Å; P210-P225 HydrophobicContact CG-CG 3.82Å
211L76.8Confident80Confident10 Ų1066 Ų665%0.05237%0.371CS..Hα-helixtrans-81.7-37.3-167.2-67.3174.6000112.6L207 Q208 L209 V249 A251 P288 V290L207-L211 HydrophobicContact CB-CD1 4.43Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 VanDerWaalsContact O-CD1 3.31Å; L207-L211 WeakPolarHBondContact O-CD1 3.13Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 3.33Å; Q208-L211 PolarHBondContact O-N 3.26Å; L209-L211 PolarHBondContact O-N 3.35Å; L211-V249 HydrophobicContact CD1-CG1 3.86Å; L211-A251 HydrophobicContact CD1-CB 4.21Å; L211-P288 HydrophobicContact CB-CB 3.96Å; L211-P288 HydrophobicContact CD1-CB 4.03Å; L211-P288 HydrophobicContact CD2-CB 3.71Å; L211-P288 HydrophobicContact CG-CB 4.1Å; L211-V290 HydrophobicContact CD1-CG2 4.26Å
212L74.1Confident79.5Confident87 Ų8768 Ų6846%0.45538%0.379SS..Hα-helixtrans-89.9-32.2-179.6-62.7-174.3000113Q208 P214Q208-L212 HydrophobicContact CG-CD1 3.36Å; Q208-L212 HydrophobicContact CG-CG 3.95Å; Q208-L212 WeakPolarHBondContact O-CB 3.41Å; Q208-L212 PolarHBondContact O-N 2.68Å; L212-P214 WeakPolarHBondContact O-CD 3.25Å
213Y77Confident78.6Confident126 Ų12670 Ų7049%0.49439%0.393SS..  trans-126.950.6-167.7-59.6-66.3000114.3L209 N215 T216 L217L209-Y213 PolarHBondContact O-N 3.29Å; L209-Y213 VanDerWaalsContact O-N 3.16Å; Y213-N215 PolarHBondContact O-N 3.33Å; Y213-T216 WeakPolarHBondContact CB-OG1 3.31Å; Y213-T216 PolarHBondContact O-OG1 2.87Å; Y213-L217 WeakPolarHBondContact O-CG 3.26Å; Y213-L217 PolarHBondContact O-N 2.81Å
214P74.4Confident77.7Confident38 Ų3871.4 Ų71.425%0.24740%0.403CS..Hα-helixtrans-68.5-35.1-178.327.9-35.1000113.2L212 T218L212-P214 WeakPolarHBondContact O-CD 3.25Å; P214-T218 PolarHBondContact O-N 3.05Å; P214-T218 PolarHBondContact O-OG1 3.46Å
215N75.5Confident77Confident134 Ų13469.1 Ų69.172%0.71740%0.398SS*.Hα-helixtrans-72.1-40.1-175.5-66.5-17000112Y213 T218 S219Y213-N215 PolarHBondContact O-N 3.33Å; N215-T218 PolarHBondContact O-N 2.88Å; N215-S219 PolarHBondContact O-N 2.72Å
216T78.5Confident76.7Confident70 Ų7064.8 Ų64.843%0.42938%0.376SS..Hα-helixtrans-67.4-41.9177.1500000110.6Y213 T218 S219 L220Y213-T216 WeakPolarHBondContact CB-OG1 3.31Å; Y213-T216 PolarHBondContact O-OG1 2.87Å; T216-T218 VanDerWaalsContact C-N 3.31Å; T216-T218 PolarHBondContact O-N 3.33Å; T216-S219 WeakPolarHBondContact CA-OG 3.17Å; T216-S219 PolarHBondContact O-N 3.1Å; T216-S219 PolarHBondContact O-OG 3.42Å; T216-L220 WeakPolarHBondContact O-CB 3.09Å; T216-L220 VanDerWaalsContact O-CG 3.28Å; T216-L220 WeakPolarHBondContact O-CG 3.48Å; T216-L220 PolarHBondContact O-N 3.03Å
217L75.1Confident76.8Confident31 Ų3162.8 Ų62.816%0.16237%0.366CS..Hα-helixtrans-58.9-42.6173.4-72.3170.4000112.2Y213 L220 G221 V222Y213-L217 WeakPolarHBondContact O-CG 3.26Å; Y213-L217 PolarHBondContact O-N 2.81Å; L217-L220 PolarHBondContact O-N 2.89Å; L217-G221 PolarHBondContact O-N 3.17Å; L217-G221 VanDerWaalsContact O-N 3.17Å; L217-V222 HydrophobicContact CD2-CB 4.39Å; L217-V222 PolarHBondContact O-N 3.38Å
218T73.6Confident77.1Confident90 Ų9062.5 Ų62.555%0.55237%0.365SS*.Hα-helixtrans-63.7-41.8176.4-550000111.5P214 N215 T216 L220 G221P214-T218 PolarHBondContact O-N 3.05Å; P214-T218 PolarHBondContact O-OG1 3.46Å; N215-T218 PolarHBondContact O-N 2.88Å; T216-T218 VanDerWaalsContact C-N 3.31Å; T216-T218 PolarHBondContact O-N 3.33Å; T218-L220 VanDerWaalsContact C-N 3.29Å; T218-L220 PolarHBondContact O-N 2.88Å; T218-G221 PolarHBondContact O-N 3.11Å; T218-G221 VanDerWaalsContact O-N 3.16Å
219S80.4Confident77.4Confident99 Ų9958.9 Ų58.969%0.69235%0.348SS*.Hα-helixtrans-66.1-30.6176.670.10000113.3N215 T216 G221N215-S219 PolarHBondContact O-N 2.72Å; T216-S219 WeakPolarHBondContact CA-OG 3.17Å; T216-S219 PolarHBondContact O-N 3.1Å; T216-S219 PolarHBondContact O-OG 3.42Å; S219-G221 VanDerWaalsContact C-N 3.28Å
220L81.5Confident77.9Confident127 Ų12755 Ų5567%0.66533%0.328SS*.THydrogen-bonded Turntrans-81-7.1176.3-68.9167.1000112.8T216 L217 T218 V222T216-L220 WeakPolarHBondContact O-CB 3.09Å; T216-L220 VanDerWaalsContact O-CG 3.28Å; T216-L220 WeakPolarHBondContact O-CG 3.48Å; T216-L220 PolarHBondContact O-N 3.03Å; L217-L220 PolarHBondContact O-N 2.89Å; T218-L220 VanDerWaalsContact C-N 3.29Å; T218-L220 PolarHBondContact O-N 2.88Å; L220-V222 HydrophobicContact CB-CG2 4.08Å; L220-V222 PolarHBondContact O-N 3.32Å
221G74.8Confident78.3Confident68 Ų6855.1 Ų55.170%0.70133%0.328SS*.THydrogen-bonded Turntrans70.511.5-178.100000114.5L217 T218 S219L217-G221 PolarHBondContact O-N 3.17Å; L217-G221 VanDerWaalsContact O-N 3.17Å; T218-G221 PolarHBondContact O-N 3.11Å; T218-G221 VanDerWaalsContact O-N 3.16Å; S219-G221 VanDerWaalsContact C-N 3.28Å
222V75.6Confident78.7Confident82 Ų8255 Ų5550%0.49733%0.33SS..PPolyproline II helixtrans-82.3130.4179.2-176.30000109L217 L220 C224L217-V222 HydrophobicContact CD2-CB 4.39Å; L217-V222 PolarHBondContact O-N 3.38Å; L220-V222 HydrophobicContact CB-CG2 4.08Å; L220-V222 PolarHBondContact O-N 3.32Å; V222-C224 PolarHBondContact O-N 3.33Å
223S66.7Low78.9Confident87 Ų8751.7 Ų51.761%0.60831%0.313SS*.PPolyproline II helixtrans-67.3118.4173.854.10000109.8
224C67.8Low79.2Confident34 Ų3449.4 Ų49.423%0.2331%0.314CS..PPolyproline II helixtrans-56.7128.9168.7179.30000109.2P210 V222 R226P210-C224 VanDerWaalsContact CB-SG 3.54Å; V222-C224 PolarHBondContact O-N 3.33Å; C224-R226 PolarHBondContact O-N 3.12Å
225P72.1Confident79.6Confident30 Ų3049.1 Ų49.120%0.19532%0.318CS..PPolyproline II helixtrans-58.6135.1172.725.9-33.4000108.9P210 L331 D353P210-P225 HydrophobicContact CG-CG 3.82Å; P225-L331 WeakPolarHBondContact O-CD1 3.48Å; P225-D353 WeakPolarHBondContact CA-OD2 3.29Å
226R77.4Confident80Confident32 Ų3243.4 Ų43.412%0.12129%0.288CS..  trans-91.7-32.9180-64.4-54-16016713.2112.9C224 M324 S325 R326 L331 I332 D353C224-R226 PolarHBondContact O-N 3.12Å; R226-M324 PolarHBondContact NH2-O 3.2Å; R226-S325 PolarHBondContact NH1-O 2.95Å; R226-S325 PolarHBondContact NH2-O 3.36Å; R226-S325 VanDerWaalsContact NH2-O 3.08Å; R226-R326 VanDerWaalsContact NH2-CA 3.3Å; R226-R326 VanDerWaalsContact NH2-CG 3.33Å; R226-R326 VanDerWaalsContact NH2-N 3.17Å; R226-L331 WeakPolarHBondContact O-CD1 3.39Å; R226-I332 PolarHBondContact O-N 3.49Å; R226-D353 PolarHBondContact N-OD2 3.13Å
227G85.9Confident80.3Confident0 Ų041.2 Ų41.20%028%0.279CS..EExtended strand (participates in β ladder)trans-144.6140.2-17400000112.5I332 R351 D353 R354G227-I332 CarbonylContact C-O 3.55Å; G227-I332 WeakPolarHBondContact CA-O 3.34Å; G227-R351 VanDerWaalsContact CA-O 3.23Å; G227-R351 WeakPolarHBondContact CA-O 3.18Å; G227-R351 PolarHBondContact N-O 2.98Å; G227-D353 PolarHBondContact O-N 2.94Å; G227-D353 VanDerWaalsContact O-N 3.13Å; G227-R354 PolarHBondContact O-N 3.49Å
228V89.8Confident80.9Confident0 Ų040.3 Ų40.30%027%0.274CS..EExtended strand (participates in β ladder)trans-113.5131.2169.2-176.60000108.6L203 M206 L230 L331 I332 V333 G334 R354 V356L203-V228 HydrophobicContact CD2-CG1 3.78Å; M206-V228 HydrophobicContact SD-CG1 4.38Å; M206-V228 HydrophobicContact SD-CG2 4.47Å; V228-L230 HydrophobicContact CG1-CD2 4.44Å; V228-L331 HydrophobicContact CG2-CD2 4.28Å; V228-I332 PolarHBondContact N-O 3.01Å; V228-V333 HydrophobicContact CB-CG2 4.49Å; V228-V333 CarbonylContact O-C 3.57Å; V228-V333 WeakPolarHBondContact O-CA 3.48Å; V228-G334 PolarHBondContact O-N 2.9Å; V228-R354 CarbonylContact C-O 3.5Å; V228-R354 WeakPolarHBondContact CA-O 3.48Å; V228-R354 HydrophobicContact CG1-CB 4.46Å; V228-R354 HydrophobicContact CG2-CB 4.37Å; V228-V356 HydrophobicContact CG1-CG2 4.12Å
229L90.3Very high81.6Confident0 Ų038 Ų380%026%0.26CS..EExtended strand (participates in β ladder)trans-109.3116.9178.4-175.967.1000110.4V231 L296 G334 T336 L342 F352 R354 E355 V356L229-V231 HydrophobicContact CD2-CG2 4.17Å; L229-V231 HydrophobicContact CG-CG2 4.08Å; L229-L296 HydrophobicContact CD1-CD1 3.72Å; L229-G334 CarbonylContact C-O 3.58Å; L229-G334 WeakPolarHBondContact CA-O 3.33Å; L229-T336 HydrophobicContact CD1-CG2 3.84Å; L229-T336 HydrophobicContact CD2-CG2 4.19Å; L229-T336 HydrophobicContact CG-CG2 4.07Å; L229-L342 HydrophobicContact CD1-CD1 4.22Å; L229-L342 HydrophobicContact CD2-CD1 4.06Å; L229-F352 HydrophobicContact CB-CB 4.12Å; L229-F352 HydrophobicContact CB-CD1 4.06Å; L229-F352 HydrophobicContact CB-CG 4.16Å; L229-R354 PolarHBondContact N-O 3.24Å; L229-E355 HydrophobicContact CB-CG 4.27Å; L229-E355 HydrophobicContact CD2-CG 4.31Å; L229-E355 CarbonylContact O-C 3.49Å; L229-E355 VanDerWaalsContact O-CA 3.3Å; L229-E355 WeakPolarHBondContact O-CA 3.44Å; L229-V356 PolarHBondContact O-N 3.02Å
230L90.6Very high81.9Confident0 Ų036.2 Ų36.20%025%0.245CC..EExtended strand (participates in β ladder)trans-87.5116.8172.9-57.2-174.3000110.4L203 V228 K238 V242 V333 G334 A335 T336 V356L203-L230 HydrophobicContact CD1-CD1 4.46Å; L203-L230 HydrophobicContact CD1-CD2 3.77Å; L203-L230 HydrophobicContact CD2-CD2 3.68Å; L203-L230 HydrophobicContact CG-CD2 4.3Å; V228-L230 HydrophobicContact CG1-CD2 4.44Å; L230-K238 HydrophobicContact CB-CD 4.21Å; L230-K238 HydrophobicContact CD1-CB 4.3Å; L230-V242 HydrophobicContact CD1-CG2 3.29Å; L230-V333 HydrophobicContact CD1-CG1 4.16Å; L230-V333 HydrophobicContact CG-CG1 4.13Å; L230-G334 PolarHBondContact N-O 2.82Å; L230-A335 HydrophobicContact CB-CB 4.4Å; L230-A335 WeakPolarHBondContact O-CA 2.88Å; L230-T336 PolarHBondContact O-N 2.86Å; L230-V356 WeakPolarHBondContact CA-O 3.46Å; L230-V356 HydrophobicContact CD2-CB 3.87Å; L230-V356 HydrophobicContact CD2-CG1 4.32Å
231V86.1Confident82.2Confident12 Ų1230.2 Ų30.27%0.07321%0.213CC..EExtended strand (participates in β ladder)trans-109.8143.9179.9-177.60000109L229 T336 P339 V356 I357 I358L229-V231 HydrophobicContact CD2-CG2 4.17Å; L229-V231 HydrophobicContact CG-CG2 4.08Å; V231-T336 WeakPolarHBondContact CA-O 3.27Å; V231-T336 HydrophobicContact CG2-CG2 3.92Å; V231-P339 HydrophobicContact CG1-CB 4.14Å; V231-P339 HydrophobicContact CG1-CG 3.74Å; V231-P339 HydrophobicContact CG2-CB 4.22Å; V231-V356 PolarHBondContact N-O 3.07Å; V231-I357 HydrophobicContact CB-CG1 4.24Å; V231-I357 CarbonylContact O-C 3.51Å; V231-I357 WeakPolarHBondContact O-CA 3.47Å; V231-I358 PolarHBondContact O-N 3.24Å
232G84.5Confident82.9Confident8 Ų827.1 Ų27.18%0.08218%0.181CC..  trans162171.6176.300000113.3K238 T336 N337 I358G232-K238 VanDerWaalsContact C-NZ 3.33Å; G232-K238 PolarHBondContact O-NZ 2.68Å; G232-T336 PolarHBondContact N-O 3.32Å; G232-N337 VanDerWaalsContact O-CA 3.25Å; G232-N337 WeakPolarHBondContact O-CA 3.49Å; G232-N337 PolarHBondContact O-OD1 2.95Å; G232-I358 WeakPolarHBondContact CA-O 3.5Å
233P79.9Confident83.5Confident17 Ų1726.7 Ų26.711%0.1117%0.17CC..  trans-65.6158.8174.322.7-24000111.8V236 I358 A547P233-V236 HydrophobicContact CG-CG1 3.68Å; P233-V236 WeakPolarHBondContact O-CG2 3.32Å; P233-I358 WeakPolarHBondContact CD-O 3.33Å; P233-A547 HydrophobicContact CG-CB 4.42Å
234P82.8Confident84.3Confident78 Ų7826.6 Ų26.651%0.50616%0.157SC..THydrogen-bonded Turntrans-64.7147.8173.928.3-34.3000110.4
235G81.9Confident85.3Confident33 Ų3325 Ų2534%0.3415%0.146SC..THydrogen-bonded Turntrans85.50.3174.900000116.2G237 V396 G397 A398G235-G237 PolarHBondContact O-N 2.94Å; G235-V396 VanDerWaalsContact O-CG1 3.3Å; G235-V396 WeakPolarHBondContact O-CG1 3.44Å; G235-G397 PolarHBondContact O-N 2.86Å; G235-A398 WeakPolarHBondContact O-CB 3.38Å; G235-A398 PolarHBondContact O-N 3.27Å
236V84.6Confident86Confident14 Ų1423.6 Ų23.69%0.08514%0.137CC..SBendtrans-69.7-10.3173.7-62.30000113.7P233 K238 I358 V396P233-V236 HydrophobicContact CG-CG1 3.68Å; P233-V236 WeakPolarHBondContact O-CG2 3.32Å; V236-K238 HydrophobicContact CG2-CD 4.27Å; V236-K238 HydrophobicContact CG2-CG 3.46Å; V236-K238 VanDerWaalsContact CG2-CG 3.46Å; V236-I358 HydrophobicContact CB-CG2 3.93Å; V236-I358 HydrophobicContact CG1-CG2 4.36Å; V236-I358 HydrophobicContact CG2-CB 4.28Å; V236-I358 HydrophobicContact CG2-CG2 3.76Å; V236-V396 VanDerWaalsContact CA-CG1 3.4Å; V236-V396 HydrophobicContact CB-CG1 3.96Å; V236-V396 HydrophobicContact CG1-CG1 3.35Å
237G85.1Confident86.1Confident24 Ų2424.4 Ų24.425%0.24714%0.143CC..  trans88.927.6179.600000114.4G235 T239 V240 L241G235-G237 PolarHBondContact O-N 2.94Å; G237-T239 VanDerWaalsContact C-N 3.3Å; G237-T239 PolarHBondContact O-N 3.42Å; G237-V240 PolarHBondContact O-N 3.08Å; G237-L241 PolarHBondContact O-N 3.37Å
238K88Confident85.8Confident11 Ų1128.2 Ų28.25%0.04816%0.16CC..Hα-helixtrans-51.9-46.7177.8-54.2-175.3-174154.20112.8L230 G232 V236 V240 L241 V242 A335 T336 N337 I358L230-K238 HydrophobicContact CB-CD 4.21Å; L230-K238 HydrophobicContact CD1-CB 4.3Å; G232-K238 VanDerWaalsContact C-NZ 3.33Å; G232-K238 PolarHBondContact O-NZ 2.68Å; V236-K238 HydrophobicContact CG2-CD 4.27Å; V236-K238 HydrophobicContact CG2-CG 3.46Å; V236-K238 VanDerWaalsContact CG2-CG 3.46Å; K238-V240 VanDerWaalsContact C-N 3.29Å; K238-V240 PolarHBondContact O-N 3.04Å; K238-L241 WeakPolarHBondContact O-CB 3.39Å; K238-L241 PolarHBondContact O-N 3.47Å; K238-V242 WeakPolarHBondContact O-CG2 3.38Å; K238-V242 PolarHBondContact O-N 3.28Å; K238-A335 HydrophobicContact CB-CB 4.47Å; K238-A335 HydrophobicContact CD-CB 4.13Å; K238-T336 PolarHBondContact NZ-O 3.42Å; K238-N337 PolarHBondContact NZ-OD1 2.85Å; K238-I358 HydrophobicContact CG-CD1 4.1Å
239T87.2Confident85.4Confident41 Ų4129.4 Ų29.425%0.25217%0.167SC..Hα-helixtrans-61.6-38178.2-38.70000111.6G237 R243 F292 D294G237-T239 VanDerWaalsContact C-N 3.3Å; G237-T239 PolarHBondContact O-N 3.42Å; T239-R243 VanDerWaalsContact O-CG 3.29Å; T239-R243 WeakPolarHBondContact O-CG 3.35Å; T239-R243 PolarHBondContact O-N 3.14Å; T239-F292 HydrophobicContact CG2-CE1 3.76Å; T239-D294 PolarHBondContact OG1-OD2 3.26Å
240V86.7Confident84.7Confident62 Ų6231 Ų3138%0.37618%0.184SC..Hα-helixtrans-72.2-40.4178.4-175.20000110.5L193 G237 K238 R243 R244L193-V240 HydrophobicContact CD1-CB 4.37Å; L193-V240 HydrophobicContact CD1-CG1 4.03Å; G237-V240 PolarHBondContact O-N 3.08Å; K238-V240 VanDerWaalsContact C-N 3.29Å; K238-V240 PolarHBondContact O-N 3.04Å; V240-R243 PolarHBondContact O-N 3.07Å; V240-R244 WeakPolarHBondContact O-CB 3.34Å; V240-R244 PolarHBondContact O-N 3.28Å
241L88.6Confident84.3Confident1 Ų131.4 Ų31.41%0.00519%0.187CC..Hα-helixtrans-59.1-50.7176.2-177.668.7000111.6L193 L196 V199 L203 G237 K238 R243 R244 V245 I358L193-L241 HydrophobicContact CD1-CB 4.14Å; L193-L241 HydrophobicContact CD1-CD1 4.17Å; L193-L241 HydrophobicContact CD2-CD1 4.32Å; L196-L241 HydrophobicContact CB-CD1 4.13Å; L196-L241 HydrophobicContact CD1-CD1 4.29Å; L196-L241 HydrophobicContact CD1-CD2 4.32Å; V199-L241 HydrophobicContact CG1-CD2 3.81Å; L203-L241 HydrophobicContact CD1-CD2 3.51Å; L203-L241 HydrophobicContact CD1-CG 3.94Å; G237-L241 PolarHBondContact O-N 3.37Å; K238-L241 WeakPolarHBondContact O-CB 3.39Å; K238-L241 PolarHBondContact O-N 3.47Å; L241-R243 PolarHBondContact O-N 3.5Å; L241-R244 PolarHBondContact O-N 3.44Å; L241-V245 HydrophobicContact CD1-CG2 4.34Å; L241-V245 WeakPolarHBondContact O-CG2 3.31Å; L241-V245 PolarHBondContact O-N 3.02Å; L241-I358 HydrophobicContact CD2-CD1 3.7Å
242V89.1Confident84.1Confident4 Ų431.4 Ų31.42%0.02419%0.188CC..Hα-helixtrans-61.7-45.7179.9175.90000111.1L230 K238 R244 V245 V246 L253 F292 V333L230-V242 HydrophobicContact CD1-CG2 3.29Å; K238-V242 WeakPolarHBondContact O-CG2 3.38Å; K238-V242 PolarHBondContact O-N 3.28Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 2.93Å; V242-V245 PolarHBondContact O-N 3.22Å; V242-V246 HydrophobicContact CG1-CG2 4Å; V242-V246 VanDerWaalsContact O-CB 3.31Å; V242-V246 WeakPolarHBondContact O-CB 3.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.48Å; V242-V246 PolarHBondContact O-N 3.37Å; V242-L253 HydrophobicContact CG1-CD1 4.23Å; V242-F292 HydrophobicContact CB-CD2 4.06Å; V242-F292 HydrophobicContact CB-CE2 4.14Å; V242-F292 HydrophobicContact CB-CG 4.46Å; V242-F292 HydrophobicContact CG1-CB 4.2Å; V242-F292 HydrophobicContact CG1-CD2 3.73Å; V242-F292 HydrophobicContact CG1-CE2 4.33Å; V242-F292 HydrophobicContact CG1-CG 3.98Å; V242-F292 HydrophobicContact CG2-CD2 3.87Å; V242-F292 HydrophobicContact CG2-CE2 3.65Å; V242-F292 HydrophobicContact CG2-CZ 4.35Å; V242-V333 HydrophobicContact CG1-CG1 4.39Å; V242-V333 HydrophobicContact CG2-CG1 3.83Å
243R87.3Confident84.2Confident73 Ų7332 Ų3228%0.27519%0.189SC..Hα-helixtrans-54.2-47.5175.9-76.7174.3-177.1-78.71.2111.2T239 V240 L241 M247 L253T239-R243 VanDerWaalsContact O-CG 3.29Å; T239-R243 WeakPolarHBondContact O-CG 3.35Å; T239-R243 PolarHBondContact O-N 3.14Å; V240-R243 PolarHBondContact O-N 3.07Å; L241-R243 PolarHBondContact O-N 3.5Å; R243-M247 VanDerWaalsContact O-CG 3.27Å; R243-M247 WeakPolarHBondContact O-CG 3.46Å; R243-M247 PolarHBondContact O-N 3.21Å; R243-M247 VanDerWaalsContact O-N 3.12Å; R243-L253 HydrophobicContact CB-CD2 4.34Å; R243-L253 HydrophobicContact CG-CD2 3.46Å; R243-L253 VanDerWaalsContact CG-CD2 3.46Å
244R85.4Confident84.5Confident85 Ų8532.3 Ų32.332%0.32119%0.19SC..Hα-helixtrans-64.4-48-178.5-177.663.1-166-175.72.2112.8V240 L241 V242 V246 M247 E248V240-R244 WeakPolarHBondContact O-CB 3.34Å; V240-R244 PolarHBondContact O-N 3.28Å; L241-R244 PolarHBondContact O-N 3.44Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 2.93Å; R244-V246 VanDerWaalsContact C-N 3.34Å; R244-V246 PolarHBondContact O-N 2.96Å; R244-M247 WeakPolarHBondContact O-CB 3.47Å; R244-M247 PolarHBondContact O-N 2.95Å; R244-E248 IonicContact CZ-OE1 2.88Å; R244-E248 IonicContact NE-OE1 2.74Å; R244-E248 PolarHBondContact NE-OE1 3.29Å; R244-E248 IonicContact NH2-OE1 3.13Å; R244-E248 PolarHBondContact NH2-OE1 3.08Å; R244-E248 WeakPolarHBondContact O-CG 3.46Å; R244-E248 PolarHBondContact O-N 3.08Å; R244-E248 VanDerWaalsContact O-N 3.11Å
245V86.9Confident84.7Confident1 Ų130.2 Ų30.21%0.00618%0.176CC..Hα-helixtrans-66.7-39.5-178.2-176.80000110.8L203 R204 L207 L241 V242 M247 E248 V249L203-V245 HydrophobicContact CB-CG1 4.31Å; L203-V245 HydrophobicContact CB-CG2 4.33Å; R204-V245 VanDerWaalsContact CA-CG1 3.49Å; R204-V245 HydrophobicContact CB-CG1 3.86Å; R204-V245 HydrophobicContact CG-CG1 4.37Å; L207-V245 HydrophobicContact CD1-CB 4.36Å; L207-V245 HydrophobicContact CD1-CG1 3.75Å; L241-V245 HydrophobicContact CD1-CG2 4.34Å; L241-V245 WeakPolarHBondContact O-CG2 3.31Å; L241-V245 PolarHBondContact O-N 3.02Å; V242-V245 PolarHBondContact O-N 3.22Å; V245-M247 VanDerWaalsContact C-N 3.28Å; V245-M247 PolarHBondContact O-N 3.42Å; V245-E248 PolarHBondContact O-N 3.14Å; V245-V249 HydrophobicContact CG1-CG2 4.48Å; V245-V249 WeakPolarHBondContact O-CG2 3.5Å; V245-V249 PolarHBondContact O-N 2.91Å
246V86.7Confident85Confident0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-62.7-37.5178.11710000111.5L207 V242 R244 V249 G250 A251 L253 V290L207-V246 HydrophobicContact CD1-CG2 3.99Å; V242-V246 HydrophobicContact CG1-CG2 4Å; V242-V246 VanDerWaalsContact O-CB 3.31Å; V242-V246 WeakPolarHBondContact O-CB 3.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.48Å; V242-V246 PolarHBondContact O-N 3.37Å; R244-V246 VanDerWaalsContact C-N 3.34Å; R244-V246 PolarHBondContact O-N 2.96Å; V246-V249 PolarHBondContact O-N 2.88Å; V246-G250 PolarHBondContact O-N 2.89Å; V246-G250 VanDerWaalsContact O-N 3.1Å; V246-A251 HydrophobicContact CG1-CB 4Å; V246-A251 VanDerWaalsContact CG1-O 3.25Å; V246-A251 WeakPolarHBondContact CG1-O 3.49Å; V246-A251 PolarHBondContact O-N 2.81Å; V246-L253 HydrophobicContact CB-CD1 4.47Å; V246-L253 HydrophobicContact CG1-CB 3.91Å; V246-L253 HydrophobicContact CG1-CD1 4.24Å; V246-L253 HydrophobicContact CG2-CD1 4.18Å; V246-V290 HydrophobicContact CG1-CB 4.37Å; V246-V290 HydrophobicContact CG1-CG2 4.45Å; V246-V290 HydrophobicContact CG2-CB 3.85Å; V246-V290 HydrophobicContact CG2-CG1 3.91Å; V246-V290 HydrophobicContact CG2-CG2 3.9Å
247M79.8Confident85.1Confident49 Ų4934.5 Ų34.524%0.24118%0.181CC..Hα-helixtrans-63.8-44.7172-72.8177.366.500113.5D187 T190 R243 R244 V245 V249 G250D187-M247 HydrophobicContact CB-CE 3.87Å; D187-M247 HydrophobicContact CB-CG 3.68Å; D187-M247 HydrophobicContact CB-SD 3.65Å; D187-M247 WeakPolarHBondContact O-CE 3.01Å; T190-M247 HydrophobicContact CG2-SD 3.66Å; T190-M247 PolarHBondContact OG1-SD 2.95Å; R243-M247 VanDerWaalsContact O-CG 3.27Å; R243-M247 WeakPolarHBondContact O-CG 3.46Å; R243-M247 PolarHBondContact O-N 3.21Å; R243-M247 VanDerWaalsContact O-N 3.12Å; R244-M247 WeakPolarHBondContact O-CB 3.47Å; R244-M247 PolarHBondContact O-N 2.95Å; V245-M247 VanDerWaalsContact C-N 3.28Å; V245-M247 PolarHBondContact O-N 3.42Å; M247-V249 PolarHBondContact O-N 2.75Å; M247-G250 WeakPolarHBondContact O-CA 3.48Å; M247-G250 PolarHBondContact O-N 3.04Å
248E80.8Confident84.6Confident79 Ų7933.4 Ų33.437%0.36917%0.17SC..Hα-helixtrans-63.9-33.5-179.5-72.9174.9-177.400111.8R204 R244 V245 G250R204-E248 IonicContact CZ-OE2 3.21Å; R204-E248 IonicContact NE-OE2 2.87Å; R204-E248 PolarHBondContact NE-OE2 2.91Å; R204-E248 IonicContact NH2-OE2 2.72Å; R204-E248 PolarHBondContact NH2-OE2 3.34Å; R244-E248 IonicContact CZ-OE1 2.88Å; R244-E248 IonicContact NE-OE1 2.74Å; R244-E248 PolarHBondContact NE-OE1 3.29Å; R244-E248 IonicContact NH2-OE1 3.13Å; R244-E248 PolarHBondContact NH2-OE1 3.08Å; R244-E248 WeakPolarHBondContact O-CG 3.46Å; R244-E248 PolarHBondContact O-N 3.08Å; R244-E248 VanDerWaalsContact O-N 3.11Å; V245-E248 PolarHBondContact O-N 3.14Å; E248-G250 VanDerWaalsContact C-N 3.26Å
249V81.4Confident84.2Confident25 Ų2537.2 Ų37.215%0.15220%0.196CC..Hα-helixtrans-76.4-15.4172.8179.30000111.9R204 L207 L211 V245 V246 M247 A251R204-V249 HydrophobicContact CG-CG2 4.24Å; L207-V249 HydrophobicContact CB-CG2 4.22Å; L211-V249 HydrophobicContact CD1-CG1 3.86Å; V245-V249 HydrophobicContact CG1-CG2 4.48Å; V245-V249 WeakPolarHBondContact O-CG2 3.5Å; V245-V249 PolarHBondContact O-N 2.91Å; V246-V249 PolarHBondContact O-N 2.88Å; M247-V249 PolarHBondContact O-N 2.75Å; V249-A251 HydrophobicContact CG1-CB 4.43Å
250G75.9Confident83.8Confident33 Ų3340.7 Ų40.734%0.3421%0.209SC..THydrogen-bonded Turntrans73.325.9-178.200000113.7V246 M247 E248V246-G250 PolarHBondContact O-N 2.89Å; V246-G250 VanDerWaalsContact O-N 3.1Å; M247-G250 WeakPolarHBondContact O-CA 3.48Å; M247-G250 PolarHBondContact O-N 3.04Å; E248-G250 VanDerWaalsContact C-N 3.26Å
251A80.4Confident83.6Confident9 Ų937.9 Ų37.97%0.07419%0.192CC..PPolyproline II helixtrans-93152.7-17900000112.4L211 V246 V249 P288 V290L211-A251 HydrophobicContact CD1-CB 4.21Å; V246-A251 HydrophobicContact CG1-CB 4Å; V246-A251 VanDerWaalsContact CG1-O 3.25Å; V246-A251 WeakPolarHBondContact CG1-O 3.49Å; V246-A251 PolarHBondContact O-N 2.81Å; V249-A251 HydrophobicContact CG1-CB 4.43Å; A251-P288 CarbonylContact C-O 3.56Å; A251-P288 VanDerWaalsContact CA-O 3.26Å; A251-P288 WeakPolarHBondContact CA-O 3.43Å; A251-P288 HydrophobicContact CB-CB 3.98Å; A251-P288 HydrophobicContact CB-CG 4.1Å; A251-P288 VanDerWaalsContact CB-O 3.31Å; A251-P288 WeakPolarHBondContact CB-O 3.49Å; A251-V290 HydrophobicContact CB-CG2 4.3Å
252S82.8Confident83.2Confident13 Ų1342.4 Ų42.49%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-75.9131.7174.2-62.80000110.3P288 C289 V290S252-P288 PolarHBondContact N-O 2.87Å; S252-C289 WeakPolarHBondContact O-CA 3.24Å; S252-V290 PolarHBondContact O-N 2.85Å
253L86.2Confident82.8Confident20 Ų2043.3 Ų43.311%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-101.7123.3178.6-175.368000111.7V242 R243 V246 V255 V290 F292V242-L253 HydrophobicContact CG1-CD1 4.23Å; R243-L253 HydrophobicContact CB-CD2 4.34Å; R243-L253 HydrophobicContact CG-CD2 3.46Å; R243-L253 VanDerWaalsContact CG-CD2 3.46Å; V246-L253 HydrophobicContact CB-CD1 4.47Å; V246-L253 HydrophobicContact CG1-CB 3.91Å; V246-L253 HydrophobicContact CG1-CD1 4.24Å; V246-L253 HydrophobicContact CG2-CD1 4.18Å; L253-V255 HydrophobicContact CD1-CG2 4.22Å; L253-V255 HydrophobicContact CD2-CG2 3.53Å; L253-V255 HydrophobicContact CG-CG2 3.62Å; L253-V290 HydrophobicContact CD1-CG1 4.47Å; L253-F292 HydrophobicContact CD1-CB 3.85Å
254V87.6Confident82.5Confident23 Ų2346 Ų4614%0.13926%0.259CS..EExtended strand (participates in β ladder)trans-108113.7167.1-179.30000108.1A280 V290 L291 F292V254-A280 HydrophobicContact CG2-CB 4.42Å; V254-V290 PolarHBondContact N-O 3.19Å; V254-L291 HydrophobicContact CB-CD1 4.18Å; V254-L291 HydrophobicContact CG1-CD1 3.94Å; V254-L291 WeakPolarHBondContact O-CA 3.15Å; V254-F292 PolarHBondContact O-N 3.48Å
255V87.3Confident82.4Confident35 Ų3550.9 Ų50.921%0.21228%0.278CS..EExtended strand (participates in β ladder)trans-100.3136.2179.3179.70000110.4L253 F292L253-V255 HydrophobicContact CD1-CG2 4.22Å; L253-V255 HydrophobicContact CD2-CG2 3.53Å; L253-V255 HydrophobicContact CG-CG2 3.62Å; V255-F292 HydrophobicContact CG1-CD1 4.04Å; V255-F292 HydrophobicContact CG2-CB 4.37Å; V255-F292 HydrophobicContact CG2-CD1 4.26Å
256V88.1Confident82Confident6 Ų656.7 Ų56.74%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-130.7127.8174.2-176.10000107.8V261 V276 L291 F292 L293 D294V256-V261 HydrophobicContact CG1-CG2 3.25Å; V256-V276 HydrophobicContact CG2-CB 4.38Å; V256-V276 HydrophobicContact CG2-CG1 3.34Å; V256-V276 HydrophobicContact CG2-CG2 4.08Å; V256-L291 HydrophobicContact CG2-CD1 3.68Å; V256-F292 PolarHBondContact N-O 2.86Å; V256-L293 HydrophobicContact CB-CD2 3.81Å; V256-L293 HydrophobicContact CG1-CD2 4.27Å; V256-L293 HydrophobicContact CG2-CD2 4.04Å; V256-D294 PolarHBondContact O-N 3Å
257R85.3Confident81.8Confident131 Ų13158.3 Ų58.349%0.49433%0.333SS..EExtended strand (participates in β ladder)trans-100.9144.2174.5-60.4178.4178.7148.9-6109.8E260R257-E260 HydrophobicContact CB-CG 4.18Å; R257-E260 PolarHBondContact N-OE2 3.05Å; R257-E260 IonicContact NH1-OE1 3.52Å; R257-E260 WeakPolarHBondContact O-CB 3.45Å; R257-E260 PolarHBondContact O-N 3.21Å
258G75.4Confident82.2Confident1 Ų159.8 Ų59.81%0.0134%0.339CS..Hα-helixtrans-42.5-54.217700000114.4E260 V261 D294 L299G258-E260 PolarHBondContact O-N 3.15Å; G258-E260 VanDerWaalsContact O-N 3.17Å; G258-V261 PolarHBondContact O-N 3.02Å; G258-V261 VanDerWaalsContact O-N 3.12Å; G258-D294 PolarHBondContact N-O 3.43Å; G258-L299 WeakPolarHBondContact O-CD2 3.27Å
259P78.8Confident82.5Confident91 Ų9157 Ų5759%0.59133%0.328SS*.Hα-helixtrans-62.2-25.1-178.3-24.934.6000115.2V261P259-V261 VanDerWaalsContact C-N 3.26Å; P259-V261 PolarHBondContact O-N 3.48Å
260E79.6Confident82.7Confident114 Ų11458.2 Ų58.253%0.53333%0.332SS..Hα-helixtrans-75.2-19.4-179.5-65.1170.4-176.900112.2R257 G258R257-E260 HydrophobicContact CB-CG 4.18Å; R257-E260 PolarHBondContact N-OE2 3.05Å; R257-E260 IonicContact NH1-OE1 3.52Å; R257-E260 WeakPolarHBondContact O-CB 3.45Å; R257-E260 PolarHBondContact O-N 3.21Å; G258-E260 PolarHBondContact O-N 3.15Å; G258-E260 VanDerWaalsContact O-N 3.17Å
261V81.7Confident83.3Confident2 Ų262.9 Ų62.91%0.01235%0.345CS..Hα-helixtrans-91.1-23-177.8-176.20000111.6V256 G258 P259 G263 S269 L273 L299 L313V256-V261 HydrophobicContact CG1-CG2 3.25Å; G258-V261 PolarHBondContact O-N 3.02Å; G258-V261 VanDerWaalsContact O-N 3.12Å; P259-V261 VanDerWaalsContact C-N 3.26Å; P259-V261 PolarHBondContact O-N 3.48Å; V261-G263 PolarHBondContact O-N 3Å; V261-S269 WeakPolarHBondContact O-CA 3.25Å; V261-S269 WeakPolarHBondContact O-CB 3.44Å; V261-S269 PolarHBondContact O-OG 3.24Å; V261-L273 HydrophobicContact CG1-CB 4.41Å; V261-L273 HydrophobicContact CG1-CD1 3.98Å; V261-L299 HydrophobicContact CB-CD1 4.21Å; V261-L299 HydrophobicContact CB-CD2 4.35Å; V261-L299 HydrophobicContact CG2-CD1 4.27Å; V261-L313 HydrophobicContact CG1-CD1 3.99Å
262V80.4Confident83.7Confident96 Ų9664.8 Ų64.858%0.58236%0.356SS*.  trans-83.2100.1-176.8-174.70000109.9L299V262-L299 HydrophobicContact CG2-CD2 3.52Å
263G80.9Confident83.9Confident23 Ų2364.3 Ų64.324%0.23735%0.352CS..  trans-82.9155.7171.100000112.7V261 R265 S269V261-G263 PolarHBondContact O-N 3Å; G263-R265 VanDerWaalsContact C-N 3.32Å; G263-S269 PolarHBondContact N-OG 2.94Å
264S81.7Confident84Confident129 Ų12967.7 Ų67.790%0.90236%0.364SS*.SBendtrans-75.1-24176.9-62.40000112.3E268S264-E268 PolarHBondContact N-OE2 3.07Å
265R83.1Confident84.1Confident188 Ų18868.6 Ų68.671%0.70937%0.374SS*.SBendtrans-96.6142-177.9-60.5178.3-176.1-173.12.4111G263 G267 E268G263-R265 VanDerWaalsContact C-N 3.32Å; R265-G267 PolarHBondContact O-N 3.32Å; R265-E268 HydrophobicContact CB-CB 4.14Å; R265-E268 PolarHBondContact N-OE2 3.43Å; R265-E268 WeakPolarHBondContact O-CB 3.37Å; R265-E268 PolarHBondContact O-N 2.92Å
266P78.7Confident84.1Confident123 Ų12367.2 Ų67.280%0.79937%0.365SS*.THydrogen-bonded Turntrans-62.1127.5173.526.4-33000110.1
267G82.8Confident84.1Confident35 Ų3567.6 Ų67.636%0.36137%0.366SS..THydrogen-bonded Turntrans94.8-21.5-179.500000114.9R265 S269 E270 E271R265-G267 PolarHBondContact O-N 3.32Å; G267-S269 VanDerWaalsContact C-N 3.32Å; G267-S269 PolarHBondContact O-N 3.33Å; G267-E270 PolarHBondContact O-N 3.42Å; G267-E270 VanDerWaalsContact O-N 3.16Å; G267-E271 PolarHBondContact O-N 2.94Å
268E86.8Confident84.1Confident79 Ų7966.5 Ų66.537%0.36937%0.367SS..Hα-helixtrans-62-41.2177.1-176175.4-162.600111.6S264 R265 E270 E271 T272S264-E268 PolarHBondContact N-OE2 3.07Å; R265-E268 HydrophobicContact CB-CB 4.14Å; R265-E268 PolarHBondContact N-OE2 3.43Å; R265-E268 WeakPolarHBondContact O-CB 3.37Å; R265-E268 PolarHBondContact O-N 2.92Å; E268-E270 VanDerWaalsContact C-N 3.29Å; E268-E270 PolarHBondContact O-N 3.15Å; E268-E271 PolarHBondContact O-N 2.9Å; E268-T272 WeakPolarHBondContact O-CB 3.25Å; E268-T272 PolarHBondContact O-N 3.03Å; E268-T272 PolarHBondContact O-OG1 2.88Å
269S86.8Confident84.5Confident21 Ų2173.5 Ų73.515%0.14739%0.393CS..Hα-helixtrans-63-35176.3-42.70000112.8V261 G263 G267 L273V261-S269 WeakPolarHBondContact O-CA 3.25Å; V261-S269 WeakPolarHBondContact O-CB 3.44Å; V261-S269 PolarHBondContact O-OG 3.24Å; G263-S269 PolarHBondContact N-OG 2.94Å; G267-S269 VanDerWaalsContact C-N 3.32Å; G267-S269 PolarHBondContact O-N 3.33Å; S269-L273 WeakPolarHBondContact O-CB 3.2Å; S269-L273 PolarHBondContact O-N 3.27Å
270E86.8Confident84.8Confident50 Ų5069.1 Ų69.123%0.23437%0.365CS..Hα-helixtrans-74.9-40.1179.2-64.6173.3-157.500111.5G267 E268 L273 R274 R312 Q316G267-E270 PolarHBondContact O-N 3.42Å; G267-E270 VanDerWaalsContact O-N 3.16Å; E268-E270 VanDerWaalsContact C-N 3.29Å; E268-E270 PolarHBondContact O-N 3.15Å; E270-L273 PolarHBondContact O-N 3.22Å; E270-R274 WeakPolarHBondContact O-CB 3.45Å; E270-R274 PolarHBondContact O-N 3.43Å; E270-R312 VanDerWaalsContact OE1-CB 3.28Å; E270-R312 WeakPolarHBondContact OE1-CB 3.03Å; E270-Q316 HydrophobicContact CB-CG 4.4Å
271E88.1Confident85Confident131 Ų13169.5 Ų69.561%0.61236%0.361SS*.Hα-helixtrans-66.2-42.2175.5-173.9174.5-173.700111.2G267 E268 L273 R274 A275G267-E271 PolarHBondContact O-N 2.94Å; E268-E271 PolarHBondContact O-N 2.9Å; E271-L273 PolarHBondContact O-N 3.49Å; E271-R274 PolarHBondContact O-N 2.79Å; E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 2.8Å
272T88.1Confident84.9Confident49 Ų4971.8 Ų71.830%0.30138%0.377SS..Hα-helixtrans-62-44.8176-580000110.8E268 R274 A275 V276E268-T272 WeakPolarHBondContact O-CB 3.25Å; E268-T272 PolarHBondContact O-N 3.03Å; E268-T272 PolarHBondContact O-OG1 2.88Å; T272-R274 VanDerWaalsContact C-N 3.33Å; T272-R274 PolarHBondContact O-N 2.99Å; T272-A275 PolarHBondContact O-N 3.44Å; T272-V276 WeakPolarHBondContact O-CB 3.44Å; T272-V276 WeakPolarHBondContact O-CG2 3.38Å; T272-V276 PolarHBondContact O-N 3.39Å
273L87.9Confident84.8Confident3 Ų368.1 Ų68.12%0.01636%0.357CS..Hα-helixtrans-61.3-41.9175.2-165.6100.8000111.2V261 S269 E270 E271 V276 F277 Q316 L317 L320V261-L273 HydrophobicContact CG1-CB 4.41Å; V261-L273 HydrophobicContact CG1-CD1 3.98Å; S269-L273 WeakPolarHBondContact O-CB 3.2Å; S269-L273 PolarHBondContact O-N 3.27Å; E270-L273 PolarHBondContact O-N 3.22Å; E271-L273 PolarHBondContact O-N 3.49Å; L273-V276 WeakPolarHBondContact O-CB 3.39Å; L273-V276 PolarHBondContact O-N 2.81Å; L273-F277 HydrophobicContact CG-CD2 4.37Å; L273-F277 HydrophobicContact CG-CE2 4.29Å; L273-F277 VanDerWaalsContact O-CD2 3.31Å; L273-F277 WeakPolarHBondContact O-CD2 3.4Å; L273-F277 PolarHBondContact O-N 3.1Å; L273-F277 VanDerWaalsContact O-N 3.12Å; L273-Q316 HydrophobicContact CD2-CB 4.39Å; L273-Q316 HydrophobicContact CD2-CG 3.95Å; L273-L317 HydrophobicContact CD2-CB 4.12Å; L273-L317 HydrophobicContact CD2-CD1 4.39Å; L273-L320 HydrophobicContact CD2-CD1 3.54Å; L273-L320 HydrophobicContact CG-CD1 4.15Å
274R88.3Confident84.6Confident92 Ų9267.3 Ų67.335%0.34735%0.348SS..Hα-helixtrans-63.5-46.7176.1-170.2179.6-60.4105.86.2111.9E270 E271 T272 V276 F277 E278E270-R274 WeakPolarHBondContact O-CB 3.45Å; E270-R274 PolarHBondContact O-N 3.43Å; E271-R274 PolarHBondContact O-N 2.79Å; T272-R274 VanDerWaalsContact C-N 3.33Å; T272-R274 PolarHBondContact O-N 2.99Å; R274-V276 VanDerWaalsContact C-N 3.29Å; R274-V276 PolarHBondContact O-N 3.01Å; R274-F277 PolarHBondContact O-N 3.18Å; R274-F277 VanDerWaalsContact O-N 3.13Å; R274-E278 WeakPolarHBondContact O-CG 3.47Å; R274-E278 PolarHBondContact O-N 3.01Å
275A88.6Confident84.3Confident42 Ų4265.9 Ų65.935%0.34733%0.327SS..Hα-helixtrans-61.8-36.517800000112.2E271 T272 R279E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 2.8Å; T272-A275 PolarHBondContact O-N 3.44Å; A275-R279 WeakPolarHBondContact O-CB 3.01Å; A275-R279 VanDerWaalsContact O-CG 3.29Å; A275-R279 WeakPolarHBondContact O-CG 3.18Å; A275-R279 PolarHBondContact O-N 3.27Å
276V87.8Confident83.6Confident5 Ų557.8 Ų57.83%0.0330%0.297CS..Hα-helixtrans-60.4-48.8172.1162.40000111.3V256 T272 L273 R274 E278 R279 A280 L291V256-V276 HydrophobicContact CG2-CB 4.38Å; V256-V276 HydrophobicContact CG2-CG1 3.34Å; V256-V276 HydrophobicContact CG2-CG2 4.08Å; T272-V276 WeakPolarHBondContact O-CB 3.44Å; T272-V276 WeakPolarHBondContact O-CG2 3.38Å; T272-V276 PolarHBondContact O-N 3.39Å; L273-V276 WeakPolarHBondContact O-CB 3.39Å; L273-V276 PolarHBondContact O-N 2.81Å; R274-V276 VanDerWaalsContact C-N 3.29Å; R274-V276 PolarHBondContact O-N 3.01Å; V276-E278 VanDerWaalsContact C-N 3.35Å; V276-R279 VanDerWaalsContact CG2-NH2 3.28Å; V276-R279 PolarHBondContact O-N 3.41Å; V276-A280 WeakPolarHBondContact O-CB 3.37Å; V276-A280 PolarHBondContact O-N 3.05Å; V276-L291 HydrophobicContact CG1-CD1 3.78Å
277F88.2Confident83.3Confident14 Ų1452.1 Ų52.16%0.06126%0.262CS..Hα-helixtrans-66.9-36.5-179.9-90.3-103.2000112.2L273 R274 A280 R281 L291 L317 L320 M324 F330 I332L273-F277 HydrophobicContact CG-CD2 4.37Å; L273-F277 HydrophobicContact CG-CE2 4.29Å; L273-F277 VanDerWaalsContact O-CD2 3.31Å; L273-F277 WeakPolarHBondContact O-CD2 3.4Å; L273-F277 PolarHBondContact O-N 3.1Å; L273-F277 VanDerWaalsContact O-N 3.12Å; R274-F277 PolarHBondContact O-N 3.18Å; R274-F277 VanDerWaalsContact O-N 3.13Å; F277-A280 PolarHBondContact O-N 3.3Å; F277-R281 WeakPolarHBondContact O-CB 3.45Å; F277-R281 PolarHBondContact O-N 3.2Å; F277-L291 HydrophobicContact CD1-CD2 4.46Å; F277-L291 HydrophobicContact CD2-CD2 4.13Å; F277-L291 HydrophobicContact CE1-CD2 4.09Å; F277-L291 HydrophobicContact CE2-CD2 3.75Å; F277-L291 HydrophobicContact CG-CD2 4.49Å; F277-L291 HydrophobicContact CZ-CD2 3.72Å; F277-L317 HydrophobicContact CE2-CD1 3.72Å; F277-L317 HydrophobicContact CZ-CD1 3.55Å; F277-L320 HydrophobicContact CB-CD1 4.19Å; F277-L320 HydrophobicContact CD1-CB 4Å; F277-L320 HydrophobicContact CD1-CD1 4.37Å; F277-L320 HydrophobicContact CD2-CD1 3.62Å; F277-L320 HydrophobicContact CE1-CB 3.95Å; F277-L320 HydrophobicContact CE2-CB 4.48Å; F277-L320 HydrophobicContact CE2-CD1 4.01Å; F277-L320 HydrophobicContact CG-CB 4.28Å; F277-L320 HydrophobicContact CG-CD1 3.81Å; F277-L320 HydrophobicContact CZ-CB 4.21Å; F277-M324 HydrophobicContact CE1-SD 4.37Å; F277-F330 HydrophobicContact CD1-CE1 4.35Å; F277-F330 HydrophobicContact CE1-CE1 4.34Å; F277-I332 HydrophobicContact CE1-CD1 3.77Å; F277-I332 HydrophobicContact CZ-CD1 3.95Å
278E86Confident83.2Confident108 Ų10851.6 Ų51.651%0.50525%0.252SS..Hα-helixtrans-64.2-44.6173-74.5174-170.600111.6R274 V276 A280 R281 S282R274-E278 WeakPolarHBondContact O-CG 3.47Å; R274-E278 PolarHBondContact O-N 3.01Å; V276-E278 VanDerWaalsContact C-N 3.35Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.41Å; E278-R281 PolarHBondContact O-N 3.45Å; E278-S282 PolarHBondContact O-N 3.34Å; E278-S282 PolarHBondContact O-OG 3Å; E278-S282 VanDerWaalsContact O-OG 3.13Å
279R84.1Confident83.2Confident148 Ų14847.8 Ų47.856%0.55823%0.234SC*.Hα-helixtrans-58-43.3172.9-75.5-172.9-62.6145.8-5.8111.9A275 V276 S282 A283A275-R279 WeakPolarHBondContact O-CB 3.01Å; A275-R279 VanDerWaalsContact O-CG 3.29Å; A275-R279 WeakPolarHBondContact O-CG 3.18Å; A275-R279 PolarHBondContact O-N 3.27Å; V276-R279 VanDerWaalsContact CG2-NH2 3.28Å; V276-R279 PolarHBondContact O-N 3.41Å; R279-S282 PolarHBondContact O-N 3.32Å; R279-A283 PolarHBondContact O-N 2.96Å
280A84.3Confident83.3Confident0 Ų046.8 Ų46.80%023%0.227CC..Hα-helixtrans-66.4-37.4178.300000112.2V254 V276 F277 E278 A283 A284 F330V254-A280 HydrophobicContact CG2-CB 4.42Å; V276-A280 WeakPolarHBondContact O-CB 3.37Å; V276-A280 PolarHBondContact O-N 3.05Å; F277-A280 PolarHBondContact O-N 3.3Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.41Å; A280-A283 PolarHBondContact O-N 2.86Å; A280-A284 WeakPolarHBondContact O-CB 3.31Å; A280-A284 PolarHBondContact O-N 3.03Å; A280-F330 HydrophobicContact CB-CD2 4.22Å; A280-F330 HydrophobicContact CB-CE2 3.52Å; A280-F330 HydrophobicContact CB-CZ 3.8Å
281R83.3Confident83.5Confident122 Ų12244.4 Ų44.446%0.4622%0.216SC..Hα-helixtrans-65.3-45.4174.4-173.7-178.8-69.3172-2.5111.7F277 E278 A283 A284 E285F277-R281 WeakPolarHBondContact O-CB 3.45Å; F277-R281 PolarHBondContact O-N 3.2Å; E278-R281 PolarHBondContact O-N 3.45Å; R281-A283 VanDerWaalsContact C-N 3.27Å; R281-A283 PolarHBondContact O-N 3.38Å; R281-A284 WeakPolarHBondContact O-CA 3.18Å; R281-A284 WeakPolarHBondContact O-CB 3.4Å; R281-A284 PolarHBondContact O-N 3.38Å; R281-E285 PolarHBondContact O-N 3.45Å; R281-E285 VanDerWaalsContact O-N 3.1Å
282S80.9Confident83.7Confident49 Ų4938.2 Ų38.234%0.34319%0.187SC..Hα-helixtrans-59.1-40.8174.8-60.30000111.5E278 R279 A284 E285E278-S282 PolarHBondContact O-N 3.34Å; E278-S282 PolarHBondContact O-OG 3Å; E278-S282 VanDerWaalsContact O-OG 3.13Å; R279-S282 PolarHBondContact O-N 3.32Å; S282-A284 VanDerWaalsContact C-N 3.33Å; S282-A284 PolarHBondContact O-N 2.87Å; S282-E285 PolarHBondContact O-N 3.13Å
283A77.8Confident83.8Confident19 Ų1936.1 Ų36.116%0.15717%0.174CC..Hα-helixtrans-66.3-33.417400000112.9R279 A280 R281 E286 G287 C289R279-A283 PolarHBondContact O-N 2.96Å; A280-A283 PolarHBondContact O-N 2.86Å; R281-A283 VanDerWaalsContact C-N 3.27Å; R281-A283 PolarHBondContact O-N 3.38Å; A283-E286 PolarHBondContact O-N 2.89Å; A283-G287 PolarHBondContact O-N 3.45Å; A283-C289 HydrophobicContact CB-CB 4.35Å
284A77.2Confident83.9Confident7 Ų737.2 Ų37.26%0.05818%0.18CC..Hα-helixtrans-70.5-27.6178.500000113.8A280 R281 S282 E286 G287 C289 F330A280-A284 WeakPolarHBondContact O-CB 3.31Å; A280-A284 PolarHBondContact O-N 3.03Å; R281-A284 WeakPolarHBondContact O-CA 3.18Å; R281-A284 WeakPolarHBondContact O-CB 3.4Å; R281-A284 PolarHBondContact O-N 3.38Å; S282-A284 VanDerWaalsContact C-N 3.33Å; S282-A284 PolarHBondContact O-N 2.87Å; A284-E286 PolarHBondContact O-N 3.19Å; A284-G287 CarbonylContact C-O 3.58Å; A284-G287 VanDerWaalsContact CA-O 3.23Å; A284-G287 WeakPolarHBondContact CA-O 3.39Å; A284-G287 VanDerWaalsContact O-O 3.06Å; A284-C289 HydrophobicContact CB-CB 3.97Å; A284-F330 HydrophobicContact CB-CB 3.82Å
285E74.7Confident83.7Confident98 Ų9837 Ų3746%0.45818%0.183SC..Hα-helixtrans-64.9-32.6172.6-67.1-173.9151.400111.5K111 R281 S282K111-E285 WeakPolarHBondContact CE-OE2 3.38Å; K111-E285 IonicContact NZ-OE1 2.68Å; K111-E285 PolarHBondContact NZ-OE1 2.89Å; K111-E285 IonicContact NZ-OE2 2.66Å; K111-E285 PolarHBondContact NZ-OE2 3.2Å; R281-E285 PolarHBondContact O-N 3.45Å; R281-E285 VanDerWaalsContact O-N 3.1Å; S282-E285 PolarHBondContact O-N 3.13Å
286E67.4Low83.6Confident18 Ų1835 Ų358%0.08417%0.166CC..Hα-helixtrans-77.9-37.4-179.8-58.5-176.9-167.700112.7L107 T177 R180 A283 A284L107-E286 HydrophobicContact CD2-CG 3.41Å; L107-E286 VanDerWaalsContact CD2-CG 3.41Å; L107-E286 WeakPolarHBondContact CD2-OE1 3.31Å; L107-E286 VanDerWaalsContact CG-OE1 3.32Å; L107-E286 WeakPolarHBondContact CG-OE1 3.36Å; T177-E286 VanDerWaalsContact CG2-CD 3.45Å; T177-E286 WeakPolarHBondContact CG2-OE1 2.99Å; T177-E286 VanDerWaalsContact OG1-CD 3.26Å; T177-E286 PolarHBondContact OG1-OE1 3.39Å; T177-E286 VanDerWaalsContact OG1-OE1 3.09Å; T177-E286 PolarHBondContact OG1-OE2 2.96Å; R180-E286 PolarHBondContact NH1-O 3.39Å; A283-E286 PolarHBondContact O-N 2.89Å; A284-E286 PolarHBondContact O-N 3.19Å
287G72.4Confident83.4Confident5 Ų536.2 Ų36.25%0.05217%0.173CC..SBendtrans-176.2-177.9-17400000112.5A283 A284 C289A283-G287 PolarHBondContact O-N 3.45Å; A284-G287 CarbonylContact C-O 3.58Å; A284-G287 VanDerWaalsContact CA-O 3.23Å; A284-G287 WeakPolarHBondContact CA-O 3.39Å; A284-G287 VanDerWaalsContact O-O 3.06Å; G287-C289 PolarHBondContact O-N 3.36Å
288P82.5Confident83Confident23 Ų2338.7 Ų38.715%0.14919%0.191CC..  trans-61.2129.8178.125.5-32.1000110.5L211 A251 S252L211-P288 HydrophobicContact CB-CB 3.96Å; L211-P288 HydrophobicContact CD1-CB 4.03Å; L211-P288 HydrophobicContact CD2-CB 3.71Å; L211-P288 HydrophobicContact CG-CB 4.1Å; A251-P288 CarbonylContact C-O 3.56Å; A251-P288 VanDerWaalsContact CA-O 3.26Å; A251-P288 WeakPolarHBondContact CA-O 3.43Å; A251-P288 HydrophobicContact CB-CB 3.98Å; A251-P288 HydrophobicContact CB-CG 4.1Å; A251-P288 VanDerWaalsContact CB-O 3.31Å; A251-P288 WeakPolarHBondContact CB-O 3.49Å; S252-P288 PolarHBondContact N-O 2.87Å
289C85.9Confident82.5Confident0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-127.4138.3-176.1-179.40000110.7S252 A283 A284 G287 R329 F330 L331S252-C289 WeakPolarHBondContact O-CA 3.24Å; A283-C289 HydrophobicContact CB-CB 4.35Å; A284-C289 HydrophobicContact CB-CB 3.97Å; G287-C289 PolarHBondContact O-N 3.36Å; C289-R329 PolarHBondContact N-O 2.92Å; C289-F330 HydrophobicContact CB-CD2 4.12Å; C289-F330 WeakPolarHBondContact O-CA 3.24Å; C289-L331 PolarHBondContact O-N 2.78Å; C289-L331 VanDerWaalsContact O-N 3.1Å
290V88.9Confident82.3Confident0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-119121.4174.8179.20000109.3L207 L211 V246 A251 S252 L253 V254 L331 V333L207-V290 HydrophobicContact CD2-CG2 4.44Å; L211-V290 HydrophobicContact CD1-CG2 4.26Å; V246-V290 HydrophobicContact CG1-CB 4.37Å; V246-V290 HydrophobicContact CG1-CG2 4.45Å; V246-V290 HydrophobicContact CG2-CB 3.85Å; V246-V290 HydrophobicContact CG2-CG1 3.91Å; V246-V290 HydrophobicContact CG2-CG2 3.9Å; A251-V290 HydrophobicContact CB-CG2 4.3Å; S252-V290 PolarHBondContact O-N 2.85Å; L253-V290 HydrophobicContact CD1-CG1 4.47Å; V254-V290 PolarHBondContact N-O 3.19Å; V290-L331 WeakPolarHBondContact CA-O 3.33Å; V290-V333 HydrophobicContact CG1-CB 4.26Å; V290-V333 HydrophobicContact CG1-CG2 3.66Å
291L90.8Very high82.1Confident0 Ų028.8 Ų28.80%016%0.155CC..EExtended strand (participates in β ladder)trans-89.8114.6169.5173.667.2000108.8V254 V256 V276 F277 L293 F330 L331 I332 V333V254-L291 HydrophobicContact CB-CD1 4.18Å; V254-L291 HydrophobicContact CG1-CD1 3.94Å; V254-L291 WeakPolarHBondContact O-CA 3.15Å; V256-L291 HydrophobicContact CG2-CD1 3.68Å; V276-L291 HydrophobicContact CG1-CD1 3.78Å; F277-L291 HydrophobicContact CD1-CD2 4.46Å; F277-L291 HydrophobicContact CD2-CD2 4.13Å; F277-L291 HydrophobicContact CE1-CD2 4.09Å; F277-L291 HydrophobicContact CE2-CD2 3.75Å; F277-L291 HydrophobicContact CG-CD2 4.49Å; F277-L291 HydrophobicContact CZ-CD2 3.72Å; L291-L293 HydrophobicContact CD1-CD2 4.09Å; L291-L293 HydrophobicContact CD2-CD2 4Å; L291-L293 HydrophobicContact CD2-CG 4.33Å; L291-L293 HydrophobicContact CG-CD2 3.92Å; L291-L293 HydrophobicContact CG-CG 4.18Å; L291-F330 HydrophobicContact CB-CE2 3.3Å; L291-F330 HydrophobicContact CB-CZ 3.26Å; L291-F330 HydrophobicContact CD2-CZ 3.74Å; L291-F330 HydrophobicContact CG-CZ 4.12Å; L291-L331 PolarHBondContact N-O 3.39Å; L291-I332 HydrophobicContact CD2-CG1 4.4Å; L291-I332 CarbonylContact O-C 3.57Å; L291-I332 WeakPolarHBondContact O-CA 3.34Å; L291-V333 PolarHBondContact O-N 3.27Å
292F92.1Very high81.8Confident0 Ų028.8 Ų28.80%016%0.155CC..EExtended strand (participates in β ladder)trans-99.7115.3175.4-178-117.1000110.5T239 V242 L253 V254 V255 V256 D294 V333 A335T239-F292 HydrophobicContact CG2-CE1 3.76Å; V242-F292 HydrophobicContact CB-CD2 4.06Å; V242-F292 HydrophobicContact CB-CE2 4.14Å; V242-F292 HydrophobicContact CB-CG 4.46Å; V242-F292 HydrophobicContact CG1-CB 4.2Å; V242-F292 HydrophobicContact CG1-CD2 3.73Å; V242-F292 HydrophobicContact CG1-CE2 4.33Å; V242-F292 HydrophobicContact CG1-CG 3.98Å; V242-F292 HydrophobicContact CG2-CD2 3.87Å; V242-F292 HydrophobicContact CG2-CE2 3.65Å; V242-F292 HydrophobicContact CG2-CZ 4.35Å; L253-F292 HydrophobicContact CD1-CB 3.85Å; V254-F292 PolarHBondContact O-N 3.48Å; V255-F292 HydrophobicContact CG1-CD1 4.04Å; V255-F292 HydrophobicContact CG2-CB 4.37Å; V255-F292 HydrophobicContact CG2-CD1 4.26Å; V256-F292 PolarHBondContact N-O 2.86Å; F292-D294 HydrophobicContact CD1-CB 4.41Å; F292-D294 HydrophobicContact CE1-CB 3.69Å; F292-D294 WeakPolarHBondContact CE1-OD2 3.29Å; F292-D294 HydrophobicContact CZ-CB 4.08Å; F292-V333 CarbonylContact C-O 3.54Å; F292-V333 WeakPolarHBondContact CA-O 3.29Å; F292-V333 HydrophobicContact CD2-CB 4.08Å; F292-V333 HydrophobicContact CD2-CG1 3.9Å; F292-V333 WeakPolarHBondContact CD2-O 3.47Å; F292-V333 HydrophobicContact CE2-CG1 4.21Å; F292-A335 HydrophobicContact CE2-CB 3.87Å; F292-A335 HydrophobicContact CZ-CB 3.81Å
293L90.4Very high81.3Confident6 Ų633.8 Ų33.83%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-101.7107.6174.6-57.4178.5000108.8V256 L291 L296 L317 I332 V333 G334 A335V256-L293 HydrophobicContact CB-CD2 3.81Å; V256-L293 HydrophobicContact CG1-CD2 4.27Å; V256-L293 HydrophobicContact CG2-CD2 4.04Å; L291-L293 HydrophobicContact CD1-CD2 4.09Å; L291-L293 HydrophobicContact CD2-CD2 4Å; L291-L293 HydrophobicContact CD2-CG 4.33Å; L291-L293 HydrophobicContact CG-CD2 3.92Å; L291-L293 HydrophobicContact CG-CG 4.18Å; L293-L296 HydrophobicContact CB-CD2 3.54Å; L293-L296 HydrophobicContact CB-CG 4.21Å; L293-L296 HydrophobicContact CD1-CD2 3.92Å; L293-L296 HydrophobicContact CG-CD2 4.38Å; L293-L317 HydrophobicContact CD1-CD1 4.27Å; L293-I332 HydrophobicContact CD1-CG2 3.96Å; L293-I332 HydrophobicContact CG-CG2 4.34Å; L293-V333 PolarHBondContact N-O 2.85Å; L293-G334 CarbonylContact O-C 3.53Å; L293-G334 WeakPolarHBondContact O-CA 3.44Å; L293-A335 PolarHBondContact O-N 3.34Å
294D89.7Confident80.4Confident26 Ų2637.9 Ų37.914%0.13919%0.194CC..EExtended strand (participates in β ladder)trans-91148.9178.7-146.8-12.3000111.5T239 V256 G258 F292 L296T239-D294 PolarHBondContact OG1-OD2 3.26Å; V256-D294 PolarHBondContact O-N 3Å; G258-D294 PolarHBondContact N-O 3.43Å; F292-D294 HydrophobicContact CD1-CB 4.41Å; F292-D294 HydrophobicContact CE1-CB 3.69Å; F292-D294 WeakPolarHBondContact CE1-OD2 3.29Å; F292-D294 HydrophobicContact CZ-CB 4.08Å; D294-L296 PolarHBondContact O-N 3.18Å
295E85.6Confident79.4Confident87 Ų8741.3 Ų41.341%0.40723%0.23SC..  trans53.949.3179-59.3-179.3157.300114.3D297 S298 A335E295-D297 PolarHBondContact O-N 3.07Å; E295-D297 VanDerWaalsContact O-N 3.1Å; E295-S298 WeakPolarHBondContact O-CB 3.49Å; E295-S298 PolarHBondContact O-N 3.44Å; E295-S298 PolarHBondContact O-OG 3.5Å; E295-A335 PolarHBondContact N-O 2.95Å
296L85.8Confident78.7Confident0 Ų042.7 Ų42.70%025%0.25CS..Hα-helixtrans-57.3-26.8179.4-73.4-179.9000113.7L229 L293 D294 S298 L299 F300 G334 A335 L342 F352L229-L296 HydrophobicContact CD1-CD1 3.72Å; L293-L296 HydrophobicContact CB-CD2 3.54Å; L293-L296 HydrophobicContact CB-CG 4.21Å; L293-L296 HydrophobicContact CD1-CD2 3.92Å; L293-L296 HydrophobicContact CG-CD2 4.38Å; D294-L296 PolarHBondContact O-N 3.18Å; L296-S298 VanDerWaalsContact C-N 3.25Å; L296-S298 PolarHBondContact O-N 3.29Å; L296-L299 PolarHBondContact O-N 3.4Å; L296-F300 HydrophobicContact CB-CD2 4.26Å; L296-F300 HydrophobicContact CD2-CD2 3.66Å; L296-F300 HydrophobicContact CD2-CE2 3.47Å; L296-F300 VanDerWaalsContact CD2-CE2 3.47Å; L296-F300 WeakPolarHBondContact O-CD2 3.26Å; L296-F300 PolarHBondContact O-N 3.27Å; L296-G334 VanDerWaalsContact CD1-CA 3.44Å; L296-A335 PolarHBondContact N-O 3.39Å; L296-L342 HydrophobicContact CB-CD2 3.91Å; L296-L342 WeakPolarHBondContact O-CD2 3.5Å; L296-F352 HydrophobicContact CD1-CE2 4.14Å; L296-F352 HydrophobicContact CD1-CZ 3.86Å
297D82.6Confident78.3Confident31 Ų3143.7 Ų43.717%0.16626%0.259CS..Hα-helixtrans-67.2-23.7178.447.3-13.5000113.6E295 N337 R338 S341 L342E295-D297 PolarHBondContact O-N 3.07Å; E295-D297 VanDerWaalsContact O-N 3.1Å; D297-N337 PolarHBondContact OD2-N 3.33Å; D297-R338 PolarHBondContact OD2-N 2.91Å; D297-S341 WeakPolarHBondContact CB-OG 3.48Å; D297-L342 HydrophobicContact CB-CD2 4.44Å
298S79.6Confident78.1Confident65 Ų6546.2 Ų46.246%0.45528%0.28SS..Hα-helixtrans-74.2-32.9173.369.10000112.8E295 L296E295-S298 WeakPolarHBondContact O-CB 3.49Å; E295-S298 PolarHBondContact O-N 3.44Å; E295-S298 PolarHBondContact O-OG 3.5Å; L296-S298 VanDerWaalsContact C-N 3.25Å; L296-S298 PolarHBondContact O-N 3.29Å
299L76.9Confident77.7Confident11 Ų1148.9 Ų48.96%0.05830%0.297CS..Hα-helixtrans-94.3-32.7-172.5-71.9-175.8000113.8G258 V261 V262 L296 P301 L313G258-L299 WeakPolarHBondContact O-CD2 3.27Å; V261-L299 HydrophobicContact CB-CD1 4.21Å; V261-L299 HydrophobicContact CB-CD2 4.35Å; V261-L299 HydrophobicContact CG2-CD1 4.27Å; V262-L299 HydrophobicContact CG2-CD2 3.52Å; L296-L299 PolarHBondContact O-N 3.4Å; L299-P301 VanDerWaalsContact C-CD 3.42Å; L299-P301 WeakPolarHBondContact O-CD 3.23Å; L299-L313 HydrophobicContact CB-CD2 3.98Å; L299-L313 HydrophobicContact CD1-CD2 4.5Å; L299-L313 HydrophobicContact CD2-CD2 4.02Å; L299-L313 HydrophobicContact CG-CD2 4.41Å
300F80.5Confident77.2Confident1 Ų152.8 Ų52.80%0.00432%0.315CS..  trans-126.963.4-167-52.2-68000112.7L296 L313 V314 L317 L342 D343 L346L296-F300 HydrophobicContact CB-CD2 4.26Å; L296-F300 HydrophobicContact CD2-CD2 3.66Å; L296-F300 HydrophobicContact CD2-CE2 3.47Å; L296-F300 VanDerWaalsContact CD2-CE2 3.47Å; L296-F300 WeakPolarHBondContact O-CD2 3.26Å; L296-F300 PolarHBondContact O-N 3.27Å; F300-L313 HydrophobicContact CD1-CD2 4.13Å; F300-L313 HydrophobicContact CE1-CD2 3.46Å; F300-L313 VanDerWaalsContact CE1-CD2 3.46Å; F300-L313 HydrophobicContact CE1-CG 3.88Å; F300-L313 HydrophobicContact CZ-CD2 3.85Å; F300-L313 HydrophobicContact CZ-CG 4.46Å; F300-V314 HydrophobicContact CB-CG2 4.08Å; F300-V314 HydrophobicContact CD1-CB 4.19Å; F300-V314 HydrophobicContact CD1-CG2 3.63Å; F300-V314 HydrophobicContact CG-CG2 4.34Å; F300-L317 HydrophobicContact CD1-CD2 4.21Å; F300-L317 HydrophobicContact CD2-CD2 4.13Å; F300-L317 HydrophobicContact CE1-CB 3.9Å; F300-L317 HydrophobicContact CE1-CD2 3.65Å; F300-L317 HydrophobicContact CE1-CG 4.37Å; F300-L317 HydrophobicContact CE2-CD2 3.6Å; F300-L317 HydrophobicContact CG-CD2 4.42Å; F300-L317 HydrophobicContact CZ-CB 4.14Å; F300-L317 HydrophobicContact CZ-CD2 3.35Å; F300-L317 HydrophobicContact CZ-CG 4.22Å; F300-L342 HydrophobicContact CB-CD2 4.27Å; F300-L342 WeakPolarHBondContact O-CA 3.36Å; F300-D343 PolarHBondContact O-N 3.17Å; F300-L346 HydrophobicContact CB-CD1 3.74Å; F300-L346 HydrophobicContact CD2-CD1 4.46Å; F300-L346 HydrophobicContact CG-CD1 4.04Å
301P79.6Confident76.8Confident36 Ų3655.3 Ų55.323%0.23433%0.329CS..BIsolated β-bridgetrans-69.4161.3178.129.3-33.6000112.5L299 R303 E310 S341L299-P301 VanDerWaalsContact C-CD 3.42Å; L299-P301 WeakPolarHBondContact O-CD 3.23Å; P301-R303 PolarHBondContact O-N 2.81Å; P301-E310 VanDerWaalsContact CG-OE2 3.25Å; P301-E310 WeakPolarHBondContact CG-OE2 3.49Å; P301-S341 CarbonylContact C-O 3.51Å; P301-S341 VanDerWaalsContact C-O 3.25Å; P301-S341 WeakPolarHBondContact CA-O 3.49Å
302R76.9Confident76.4Confident123 Ų12361.9 Ų61.946%0.46435%0.353SS..  trans-58.6138.6169.8-75.5-166.7179.9169.213.9109.6S304 D340 S341 L342R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 3.16Å; R302-D340 WeakPolarHBondContact CD-O 3.44Å; R302-D340 PolarHBondContact NE-O 3.48Å; R302-D340 PolarHBondContact NH2-O 3.2Å; R302-D340 VanDerWaalsContact NH2-O 3.09Å; R302-D340 IonicContact NH2-OD1 3.57Å; R302-S341 PolarHBondContact N-O 3.38Å; R302-L342 VanDerWaalsContact CG-O 3.25Å; R302-L342 WeakPolarHBondContact CG-O 3.47Å
303R70.8Confident76.1Confident154 Ų15462.2 Ų62.258%0.58136%0.355SS*.  trans-64.481.5176-52-176.5-169.6-167.1-4.8110.8P301 N311 D343P301-R303 PolarHBondContact O-N 2.81Å; R303-N311 WeakPolarHBondContact CG-OD1 3.49Å; R303-D343 IonicContact CZ-OD2 3.43Å; R303-D343 IonicContact NE-OD2 3.87Å; R303-D343 PolarHBondContact NE-OD2 3.27Å; R303-D343 IonicContact NH2-OD2 2.83Å; R303-D343 PolarHBondContact NH2-OD2 3.01Å
304S57.2Low75.9Confident105 Ų10562 Ų6273%0.73435%0.354SS*.  trans-109.8133.9167.9-171.90000107.3R302 S306R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 3.16Å; S304-S306 PolarHBondContact O-N 3.31Å
305G56.9Low75.7Confident79 Ų7962.8 Ų62.881%0.81437%0.365SS*.SBendtrans-46.3134.6-16200000115.8
306S61.1Low75.8Confident126 Ų12660.3 Ų60.388%0.88135%0.353SS*.  trans87.878.8171.2-159.50000118.4S304S304-S306 PolarHBondContact O-N 3.31Å
307S58.5Low75.9Confident40 Ų4060.3 Ų60.328%0.2835%0.353SS..  trans-168110.1140.5-178.50000109.4P309 N311S307-P309 VanDerWaalsContact C-CD 3.49Å; S307-P309 WeakPolarHBondContact OG-CD 3.49Å; S307-N311 PolarHBondContact O-ND2 2.7Å
308A68.3Low76.2Confident58 Ų5859.5 Ų59.548%0.47935%0.348SS..Hα-helixtrans-65.7-33.7-177.100000116.2R312A308-R312 WeakPolarHBondContact O-CD 3.31Å; A308-R312 VanDerWaalsContact O-CG 3.28Å; A308-R312 WeakPolarHBondContact O-CG 3.23Å
309P73.6Confident76.6Confident78 Ų7860.6 Ų60.651%0.50635%0.352SS..Hα-helixtrans-73.7-41.8-177.326.4-34.4000113.7S307 N311 R312 L313S307-P309 VanDerWaalsContact C-CD 3.49Å; S307-P309 WeakPolarHBondContact OG-CD 3.49Å; P309-N311 PolarHBondContact O-N 3.32Å; P309-R312 PolarHBondContact O-N 3.42Å; P309-L313 PolarHBondContact O-N 3.21Å
310E75.8Confident77.1Confident82 Ų8261.4 Ų61.438%0.38336%0.357SS..Hα-helixtrans-66.3-41.6-176.8-69.1165.8-156.300111.9P301 R312 L313 V314P301-E310 VanDerWaalsContact CG-OE2 3.25Å; P301-E310 WeakPolarHBondContact CG-OE2 3.49Å; E310-R312 VanDerWaalsContact C-N 3.26Å; E310-R312 PolarHBondContact O-N 3Å; E310-L313 WeakPolarHBondContact O-CB 3.45Å; E310-L313 PolarHBondContact O-N 2.95Å; E310-V314 WeakPolarHBondContact O-CG2 3.3Å; E310-V314 PolarHBondContact O-N 2.97Å
311N80.4Confident77.4Confident53 Ų5361.6 Ų61.628%0.28336%0.358SS..Hα-helixtrans-63.9-32.3177.4-71.7-52.5000112.6R303 S307 P309 A315R303-N311 WeakPolarHBondContact CG-OD1 3.49Å; S307-N311 PolarHBondContact O-ND2 2.7Å; P309-N311 PolarHBondContact O-N 3.32Å; N311-A315 PolarHBondContact O-N 3.12Å; N311-A315 VanDerWaalsContact O-N 3.1Å
312R82.3Confident77.6Confident138 Ų13864.3 Ų64.352%0.52137%0.37SS..Hα-helixtrans-72-40.7174.5-68.3172.1-173170.82.4111.4E270 A308 P309 E310 V314 A315 Q316E270-R312 VanDerWaalsContact OE1-CB 3.28Å; E270-R312 WeakPolarHBondContact OE1-CB 3.03Å; A308-R312 WeakPolarHBondContact O-CD 3.31Å; A308-R312 VanDerWaalsContact O-CG 3.28Å; A308-R312 WeakPolarHBondContact O-CG 3.23Å; P309-R312 PolarHBondContact O-N 3.42Å; E310-R312 VanDerWaalsContact C-N 3.26Å; E310-R312 PolarHBondContact O-N 3Å; R312-V314 VanDerWaalsContact C-N 3.33Å; R312-V314 PolarHBondContact O-N 3.09Å; R312-A315 PolarHBondContact O-N 3.41Å; R312-Q316 WeakPolarHBondContact O-CB 3.47Å; R312-Q316 PolarHBondContact O-N 3.3Å
313L84.9Confident77.7Confident8 Ų861 Ų614%0.04237%0.374CS..Hα-helixtrans-58.1-45.5173.3-166.293.7000111.4V261 L299 F300 P309 E310 Q316 L317V261-L313 HydrophobicContact CG1-CD1 3.99Å; L299-L313 HydrophobicContact CB-CD2 3.98Å; L299-L313 HydrophobicContact CD1-CD2 4.5Å; L299-L313 HydrophobicContact CD2-CD2 4.02Å; L299-L313 HydrophobicContact CG-CD2 4.41Å; F300-L313 HydrophobicContact CD1-CD2 4.13Å; F300-L313 HydrophobicContact CE1-CD2 3.46Å; F300-L313 VanDerWaalsContact CE1-CD2 3.46Å; F300-L313 HydrophobicContact CE1-CG 3.88Å; F300-L313 HydrophobicContact CZ-CD2 3.85Å; F300-L313 HydrophobicContact CZ-CG 4.46Å; P309-L313 PolarHBondContact O-N 3.21Å; E310-L313 WeakPolarHBondContact O-CB 3.45Å; E310-L313 PolarHBondContact O-N 2.95Å; L313-Q316 PolarHBondContact O-N 3.04Å; L313-L317 PolarHBondContact O-N 2.95Å
314V86.1Confident77.9Confident0 Ų054.2 Ų54.20%035%0.349CS..Hα-helixtrans-56.5-52.3173.9177.60000109.8F300 E310 R312 Q316 L317 L318 D343F300-V314 HydrophobicContact CB-CG2 4.08Å; F300-V314 HydrophobicContact CD1-CB 4.19Å; F300-V314 HydrophobicContact CD1-CG2 3.63Å; F300-V314 HydrophobicContact CG-CG2 4.34Å; E310-V314 WeakPolarHBondContact O-CG2 3.3Å; E310-V314 PolarHBondContact O-N 2.97Å; R312-V314 VanDerWaalsContact C-N 3.33Å; R312-V314 PolarHBondContact O-N 3.09Å; V314-Q316 VanDerWaalsContact C-N 3.31Å; V314-Q316 PolarHBondContact O-N 2.83Å; V314-L317 PolarHBondContact O-N 2.91Å; V314-L318 HydrophobicContact CG1-CD1 4.19Å; V314-L318 HydrophobicContact CG1-CG 4.36Å; V314-L318 VanDerWaalsContact O-CG 3.27Å; V314-L318 WeakPolarHBondContact O-CG 3.46Å; V314-L318 PolarHBondContact O-N 3.36Å; V314-D343 HydrophobicContact CG1-CB 4.19Å
315A86.5Confident78.4Confident44 Ų4451.5 Ų51.536%0.36433%0.33SS..Hα-helixtrans-60.4-39.3-179.300000112.8N311 R312 L318 T319N311-A315 PolarHBondContact O-N 3.12Å; N311-A315 VanDerWaalsContact O-N 3.1Å; R312-A315 PolarHBondContact O-N 3.41Å; A315-L318 PolarHBondContact O-N 3.44Å; A315-T319 WeakPolarHBondContact O-CB 3.43Å; A315-T319 PolarHBondContact O-N 2.66Å; A315-T319 PolarHBondContact O-OG1 3.35Å
316Q87.9Confident78.7Confident34 Ų3456.9 Ų56.916%0.15933%0.326CS..Hα-helixtrans-65.4-45.3176.7-176.459.627.700111.3E270 L273 R312 L313 V314 L318 T319 L320E270-Q316 HydrophobicContact CB-CG 4.4Å; L273-Q316 HydrophobicContact CD2-CB 4.39Å; L273-Q316 HydrophobicContact CD2-CG 3.95Å; R312-Q316 WeakPolarHBondContact O-CB 3.47Å; R312-Q316 PolarHBondContact O-N 3.3Å; L313-Q316 PolarHBondContact O-N 3.04Å; V314-Q316 VanDerWaalsContact C-N 3.31Å; V314-Q316 PolarHBondContact O-N 2.83Å; Q316-L318 VanDerWaalsContact C-N 3.34Å; Q316-L318 PolarHBondContact O-N 2.78Å; Q316-T319 PolarHBondContact O-N 3.36Å; Q316-L320 HydrophobicContact CG-CD1 4.4Å; Q316-L320 WeakPolarHBondContact O-CG 3.23Å; Q316-L320 PolarHBondContact O-N 3.49Å
317L88.3Confident78.7Confident0 Ų055.4 Ų55.40%032%0.315CS..Hα-helixtrans-59.2-46.4175.4178.766.5000111.1L273 F277 L293 F300 L313 V314 T319 L320 M321 L346L273-L317 HydrophobicContact CD2-CB 4.12Å; L273-L317 HydrophobicContact CD2-CD1 4.39Å; F277-L317 HydrophobicContact CE2-CD1 3.72Å; F277-L317 HydrophobicContact CZ-CD1 3.55Å; L293-L317 HydrophobicContact CD1-CD1 4.27Å; F300-L317 HydrophobicContact CD1-CD2 4.21Å; F300-L317 HydrophobicContact CD2-CD2 4.13Å; F300-L317 HydrophobicContact CE1-CB 3.9Å; F300-L317 HydrophobicContact CE1-CD2 3.65Å; F300-L317 HydrophobicContact CE1-CG 4.37Å; F300-L317 HydrophobicContact CE2-CD2 3.6Å; F300-L317 HydrophobicContact CG-CD2 4.42Å; F300-L317 HydrophobicContact CZ-CB 4.14Å; F300-L317 HydrophobicContact CZ-CD2 3.35Å; F300-L317 HydrophobicContact CZ-CG 4.22Å; L313-L317 PolarHBondContact O-N 2.95Å; V314-L317 PolarHBondContact O-N 2.91Å; L317-T319 VanDerWaalsContact C-N 3.27Å; L317-T319 PolarHBondContact O-N 3.26Å; L317-L320 PolarHBondContact O-N 3.41Å; L317-M321 HydrophobicContact CD1-CG 4.27Å; L317-M321 HydrophobicContact CD1-SD 4.42Å; L317-M321 HydrophobicContact CD2-SD 4.48Å; L317-M321 HydrophobicContact CG-CG 4.38Å; L317-M321 HydrophobicContact CG-SD 4.13Å; L317-M321 WeakPolarHBondContact O-CG 3.21Å; L317-M321 PolarHBondContact O-N 3.21Å; L317-L346 HydrophobicContact CD2-CD2 3.77Å; L317-L346 HydrophobicContact CG-CD2 4.41Å
318L87.8Confident78.9Confident14 Ų1455.6 Ų55.67%0.07331%0.313CS..Hα-helixtrans-57.7-42.9177.3-66.5-176.5000111.6V314 A315 Q316 M321 D322 A345 L346 R351V314-L318 HydrophobicContact CG1-CD1 4.19Å; V314-L318 HydrophobicContact CG1-CG 4.36Å; V314-L318 VanDerWaalsContact O-CG 3.27Å; V314-L318 WeakPolarHBondContact O-CG 3.46Å; V314-L318 PolarHBondContact O-N 3.36Å; A315-L318 PolarHBondContact O-N 3.44Å; Q316-L318 VanDerWaalsContact C-N 3.34Å; Q316-L318 PolarHBondContact O-N 2.78Å; L318-M321 PolarHBondContact O-N 3.48Å; L318-D322 WeakPolarHBondContact O-CB 3.44Å; L318-D322 PolarHBondContact O-N 3.38Å; L318-A345 HydrophobicContact CD1-CB 3.97Å; L318-L346 HydrophobicContact CD2-CD2 3.36Å; L318-L346 HydrophobicContact CD2-CG 3.96Å; L318-L346 HydrophobicContact CG-CD2 4.45Å; L318-R351 VanDerWaalsContact CD2-CZ 3.47Å
319T88.4Confident79.2Confident88 Ų8858.8 Ų58.854%0.5431%0.313SS..Hα-helixtrans-66-39.3178.3-52.90000111.7A315 Q316 L317 G323A315-T319 WeakPolarHBondContact O-CB 3.43Å; A315-T319 PolarHBondContact O-N 2.66Å; A315-T319 PolarHBondContact O-OG1 3.35Å; Q316-T319 PolarHBondContact O-N 3.36Å; L317-T319 VanDerWaalsContact C-N 3.27Å; L317-T319 PolarHBondContact O-N 3.26Å; T319-G323 PolarHBondContact O-N 3.08Å
320L88.2Confident79.5Confident28 Ų2855.8 Ų55.815%0.14729%0.292CS..Hα-helixtrans-67.9-38.9176.4-69.8177000112.2L273 F277 Q316 L317 M324L273-L320 HydrophobicContact CD2-CD1 3.54Å; L273-L320 HydrophobicContact CG-CD1 4.15Å; F277-L320 HydrophobicContact CB-CD1 4.19Å; F277-L320 HydrophobicContact CD1-CB 4Å; F277-L320 HydrophobicContact CD1-CD1 4.37Å; F277-L320 HydrophobicContact CD2-CD1 3.62Å; F277-L320 HydrophobicContact CE1-CB 3.95Å; F277-L320 HydrophobicContact CE2-CB 4.48Å; F277-L320 HydrophobicContact CE2-CD1 4.01Å; F277-L320 HydrophobicContact CG-CB 4.28Å; F277-L320 HydrophobicContact CG-CD1 3.81Å; F277-L320 HydrophobicContact CZ-CB 4.21Å; Q316-L320 HydrophobicContact CG-CD1 4.4Å; Q316-L320 WeakPolarHBondContact O-CG 3.23Å; Q316-L320 PolarHBondContact O-N 3.49Å; L317-L320 PolarHBondContact O-N 3.41Å; L320-M324 WeakPolarHBondContact O-CG 3.45Å; L320-M324 PolarHBondContact O-N 2.87Å
321M85.5Confident80Confident5 Ų552 Ų523%0.02527%0.274CS..Hα-helixtrans-67.1-45.5175.4-68.4-177.877.300111.7L317 L318 G323 M324 I332 L346 R351 F352L317-M321 HydrophobicContact CD1-CG 4.27Å; L317-M321 HydrophobicContact CD1-SD 4.42Å; L317-M321 HydrophobicContact CD2-SD 4.48Å; L317-M321 HydrophobicContact CG-CG 4.38Å; L317-M321 HydrophobicContact CG-SD 4.13Å; L317-M321 WeakPolarHBondContact O-CG 3.21Å; L317-M321 PolarHBondContact O-N 3.21Å; L318-M321 PolarHBondContact O-N 3.48Å; M321-G323 VanDerWaalsContact C-N 3.26Å; M321-G323 PolarHBondContact O-N 3.26Å; M321-M324 WeakPolarHBondContact O-CB 3.42Å; M321-M324 PolarHBondContact O-N 2.9Å; M321-I332 HydrophobicContact CE-CD1 4.15Å; M321-I332 HydrophobicContact CG-CD1 3.76Å; M321-L346 HydrophobicContact SD-CD2 4.13Å; M321-R351 HydrophobicContact CE-CB 3.66Å; M321-R351 HydrophobicContact CE-CG 4.24Å; M321-R351 HydrophobicContact SD-CB 4.39Å; M321-F352 HydrophobicContact CE-CD2 4.34Å; M321-F352 HydrophobicContact CE-CE2 4.19Å; M321-F352 HydrophobicContact CE-CZ 4.28Å; M321-F352 HydrophobicContact SD-CE2 4.38Å
322D83.3Confident80.5Confident94 Ų9449.4 Ų49.450%0.50326%0.261SS..Hα-helixtrans-69-28.9179.2-64.1-14.6000111.1L318 M324 R351L318-D322 WeakPolarHBondContact O-CB 3.44Å; L318-D322 PolarHBondContact O-N 3.38Å; D322-M324 VanDerWaalsContact C-N 3.26Å; D322-M324 PolarHBondContact O-N 2.94Å; D322-R351 IonicContact OD1-CZ 3.61Å; D322-R351 IonicContact OD1-NE 3.65Å; D322-R351 PolarHBondContact OD1-NE 3.47Å; D322-R351 IonicContact OD1-NH2 2.99Å; D322-R351 IonicContact OD2-CZ 2.65Å; D322-R351 IonicContact OD2-NE 3.74Å; D322-R351 IonicContact OD2-NH2 3.99Å; D322-R351 PolarHBondContact OD2-NH2 3.32Å
323G80.4Confident80.9Confident52 Ų5243 Ų4354%0.53624%0.237SC..THydrogen-bonded Turntrans-76.9-0.2175.300000115.4T319 M321T319-G323 PolarHBondContact O-N 3.08Å; M321-G323 VanDerWaalsContact C-N 3.26Å; M321-G323 PolarHBondContact O-N 3.26Å
324M75.3Confident81.3Confident13 Ų1342.7 Ų42.76%0.06424%0.235CC..  trans-77127.1176.6-75171.353.800111.7R226 F277 L320 M321 D322 F330 I332R226-M324 PolarHBondContact NH2-O 3.2Å; F277-M324 HydrophobicContact CE1-SD 4.37Å; L320-M324 WeakPolarHBondContact O-CG 3.45Å; L320-M324 PolarHBondContact O-N 2.87Å; M321-M324 WeakPolarHBondContact O-CB 3.42Å; M321-M324 PolarHBondContact O-N 2.9Å; D322-M324 VanDerWaalsContact C-N 3.26Å; D322-M324 PolarHBondContact O-N 2.94Å; M324-F330 HydrophobicContact CE-CD1 3.28Å; M324-F330 HydrophobicContact CE-CE1 3.65Å; M324-F330 HydrophobicContact CE-CG 4.31Å; M324-F330 HydrophobicContact SD-CD1 3.88Å; M324-F330 HydrophobicContact SD-CE1 3.72Å; M324-I332 HydrophobicContact CE-CD1 4.35Å; M324-I332 HydrophobicContact CE-CG1 4.4Å; M324-I332 HydrophobicContact SD-CD1 3.59Å; M324-I332 VanDerWaalsContact SD-CD1 3.59Å; M324-I332 HydrophobicContact SD-CG1 4.21Å
325S67.3Low81.5Confident47 Ų4742.8 Ų42.833%0.32924%0.236SC..  trans-77.5155.4178.574.80000110.9R226 S327 D328R226-S325 PolarHBondContact NH1-O 2.95Å; R226-S325 PolarHBondContact NH2-O 3.36Å; R226-S325 VanDerWaalsContact NH2-O 3.08Å; S325-S327 PolarHBondContact O-N 2.97Å; S325-S327 PolarHBondContact OG-OG 2.87Å; S325-D328 PolarHBondContact N-OD2 3.38Å; S325-D328 PolarHBondContact O-N 3.24Å; S325-D328 PolarHBondContact OG-OD1 3.48Å; S325-D328 PolarHBondContact OG-OD2 3.11Å
326R62.5Low81.6Confident192 Ų19240.7 Ų40.773%0.72522%0.218SC*.THydrogen-bonded Turntrans-69.6-17179.8-71.6-177.8-177.8174.50.8113R226R226-R326 VanDerWaalsContact NH2-CA 3.3Å; R226-R326 VanDerWaalsContact NH2-CG 3.33Å; R226-R326 VanDerWaalsContact NH2-N 3.17Å
327S60.5Low81.4Confident95 Ų9541.4 Ų41.466%0.66422%0.224SC*.THydrogen-bonded Turntrans-83.4-14.317939.60000114.1S325 R329S325-S327 PolarHBondContact O-N 2.97Å; S325-S327 PolarHBondContact OG-OG 2.87Å; S327-R329 PolarHBondContact O-N 2.8Å
328D63.7Low81Confident44 Ų4447.7 Ų47.724%0.23525%0.247CC..  trans-71.8117.7-179.5-61.2-32.6000109S325 F330S325-D328 PolarHBondContact N-OD2 3.38Å; S325-D328 PolarHBondContact O-N 3.24Å; S325-D328 PolarHBondContact OG-OD1 3.48Å; S325-D328 PolarHBondContact OG-OD2 3.11Å; D328-F330 HydrophobicContact CB-CB 4.13Å; D328-F330 PolarHBondContact O-N 3.26Å
329R73.6Confident80.7Confident126 Ų12647.9 Ų47.948%0.47525%0.249SC..  trans-73.848.6173.4-70.5-174.4-79.1-149-5.2111.3C289 S327C289-R329 PolarHBondContact N-O 2.92Å; S327-R329 PolarHBondContact O-N 2.8Å
330F80.9Confident80.2Confident14 Ų1446.5 Ų46.56%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-133.1125.8-167.2174.2-117.4000110F277 A280 A284 C289 L291 M324 D328 I332F277-F330 HydrophobicContact CD1-CE1 4.35Å; F277-F330 HydrophobicContact CE1-CE1 4.34Å; A280-F330 HydrophobicContact CB-CD2 4.22Å; A280-F330 HydrophobicContact CB-CE2 3.52Å; A280-F330 HydrophobicContact CB-CZ 3.8Å; A284-F330 HydrophobicContact CB-CB 3.82Å; C289-F330 HydrophobicContact CB-CD2 4.12Å; C289-F330 WeakPolarHBondContact O-CA 3.24Å; L291-F330 HydrophobicContact CB-CE2 3.3Å; L291-F330 HydrophobicContact CB-CZ 3.26Å; L291-F330 HydrophobicContact CD2-CZ 3.74Å; L291-F330 HydrophobicContact CG-CZ 4.12Å; M324-F330 HydrophobicContact CE-CD1 3.28Å; M324-F330 HydrophobicContact CE-CE1 3.65Å; M324-F330 HydrophobicContact CE-CG 4.31Å; M324-F330 HydrophobicContact SD-CD1 3.88Å; M324-F330 HydrophobicContact SD-CE1 3.72Å; D328-F330 HydrophobicContact CB-CB 4.13Å; D328-F330 PolarHBondContact O-N 3.26Å; F330-I332 HydrophobicContact CE1-CD1 4.33Å; F330-I332 HydrophobicContact CE1-CG1 3.84Å; F330-I332 HydrophobicContact CZ-CG1 3.93Å
331L87.1Confident79.8Confident2 Ų246.8 Ų46.81%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-124.9144.1179.1-16779.9000111.1L207 P225 R226 V228 C289 V290 L291L207-L331 HydrophobicContact CD2-CD2 3.12Å; L207-L331 HydrophobicContact CD2-CG 4.47Å; P225-L331 WeakPolarHBondContact O-CD1 3.48Å; R226-L331 WeakPolarHBondContact O-CD1 3.39Å; V228-L331 HydrophobicContact CG2-CD2 4.28Å; C289-L331 PolarHBondContact O-N 2.78Å; C289-L331 VanDerWaalsContact O-N 3.1Å; V290-L331 WeakPolarHBondContact CA-O 3.33Å; L291-L331 PolarHBondContact N-O 3.39Å
332I90.3Very high79.8Confident0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-99.8130.4176.4-55.5172.3000109.7R226 G227 V228 F277 L291 L293 M321 M324 F330 F352R226-I332 PolarHBondContact O-N 3.49Å; G227-I332 CarbonylContact C-O 3.55Å; G227-I332 WeakPolarHBondContact CA-O 3.34Å; V228-I332 PolarHBondContact N-O 3.01Å; F277-I332 HydrophobicContact CE1-CD1 3.77Å; F277-I332 HydrophobicContact CZ-CD1 3.95Å; L291-I332 HydrophobicContact CD2-CG1 4.4Å; L291-I332 CarbonylContact O-C 3.57Å; L291-I332 WeakPolarHBondContact O-CA 3.34Å; L293-I332 HydrophobicContact CD1-CG2 3.96Å; L293-I332 HydrophobicContact CG-CG2 4.34Å; M321-I332 HydrophobicContact CE-CD1 4.15Å; M321-I332 HydrophobicContact CG-CD1 3.76Å; M324-I332 HydrophobicContact CE-CD1 4.35Å; M324-I332 HydrophobicContact CE-CG1 4.4Å; M324-I332 HydrophobicContact SD-CD1 3.59Å; M324-I332 VanDerWaalsContact SD-CD1 3.59Å; M324-I332 HydrophobicContact SD-CG1 4.21Å; F330-I332 HydrophobicContact CE1-CD1 4.33Å; F330-I332 HydrophobicContact CE1-CG1 3.84Å; F330-I332 HydrophobicContact CZ-CG1 3.93Å; I332-F352 HydrophobicContact CG2-CE1 4.05Å; I332-F352 HydrophobicContact CG2-CZ 4.18Å
333V91.4Very high79.9Confident4 Ų442.6 Ų42.62%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-118.1121.1170.5-179.10000108.4L207 V228 L230 V242 V290 L291 F292 L293L207-V333 HydrophobicContact CD2-CG2 4.13Å; V228-V333 HydrophobicContact CB-CG2 4.49Å; V228-V333 CarbonylContact O-C 3.57Å; V228-V333 WeakPolarHBondContact O-CA 3.48Å; L230-V333 HydrophobicContact CD1-CG1 4.16Å; L230-V333 HydrophobicContact CG-CG1 4.13Å; V242-V333 HydrophobicContact CG1-CG1 4.39Å; V242-V333 HydrophobicContact CG2-CG1 3.83Å; V290-V333 HydrophobicContact CG1-CB 4.26Å; V290-V333 HydrophobicContact CG1-CG2 3.66Å; L291-V333 PolarHBondContact O-N 3.27Å; F292-V333 CarbonylContact C-O 3.54Å; F292-V333 WeakPolarHBondContact CA-O 3.29Å; F292-V333 HydrophobicContact CD2-CB 4.08Å; F292-V333 HydrophobicContact CD2-CG1 3.9Å; F292-V333 WeakPolarHBondContact CD2-O 3.47Å; F292-V333 HydrophobicContact CE2-CG1 4.21Å; L293-V333 PolarHBondContact N-O 2.85Å
334G91.4Very high80Confident0 Ų043.4 Ų43.40%022%0.216CC..EExtended strand (participates in β ladder)trans-104143.1177.300000111.6V228 L229 L230 L293 L296V228-G334 PolarHBondContact O-N 2.9Å; L229-G334 CarbonylContact C-O 3.58Å; L229-G334 WeakPolarHBondContact CA-O 3.33Å; L230-G334 PolarHBondContact N-O 2.82Å; L293-G334 CarbonylContact O-C 3.53Å; L293-G334 WeakPolarHBondContact O-CA 3.44Å; L296-G334 VanDerWaalsContact CD1-CA 3.44Å
335A91.8Very high80.5Confident2 Ų243.2 Ų43.22%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-117.2134.6167.800000111.1L230 K238 F292 L293 E295 L296L230-A335 HydrophobicContact CB-CB 4.4Å; L230-A335 WeakPolarHBondContact O-CA 2.88Å; K238-A335 HydrophobicContact CB-CB 4.47Å; K238-A335 HydrophobicContact CD-CB 4.13Å; F292-A335 HydrophobicContact CE2-CB 3.87Å; F292-A335 HydrophobicContact CZ-CB 3.81Å; L293-A335 PolarHBondContact O-N 3.34Å; E295-A335 PolarHBondContact N-O 2.95Å; L296-A335 PolarHBondContact N-O 3.39Å
336T87.8Confident81.4Confident0 Ų041 Ų410%020%0.201CC..EExtended strand (participates in β ladder)trans-141.3143.8177.2-175.70000111.3L229 L230 V231 G232 K238 R338 P339 L342L229-T336 HydrophobicContact CD1-CG2 3.84Å; L229-T336 HydrophobicContact CD2-CG2 4.19Å; L229-T336 HydrophobicContact CG-CG2 4.07Å; L230-T336 PolarHBondContact O-N 2.86Å; V231-T336 WeakPolarHBondContact CA-O 3.27Å; V231-T336 HydrophobicContact CG2-CG2 3.92Å; G232-T336 PolarHBondContact N-O 3.32Å; K238-T336 PolarHBondContact NZ-O 3.42Å; T336-R338 PolarHBondContact OG1-N 3.12Å; T336-R338 PolarHBondContact OG1-O 3.13Å; T336-P339 HydrophobicContact CG2-CB 4.46Å; T336-L342 HydrophobicContact CG2-CD1 3.7Å
337N84.5Confident82.5Confident50 Ų5036.1 Ų36.127%0.26718%0.183SC..SBendtrans-89.9-26.2172.6-58.9-38.8000112.3G232 K238 D297G232-N337 VanDerWaalsContact O-CA 3.25Å; G232-N337 WeakPolarHBondContact O-CA 3.49Å; G232-N337 PolarHBondContact O-OD1 2.95Å; K238-N337 PolarHBondContact NZ-OD1 2.85Å; D297-N337 PolarHBondContact OD2-N 3.33Å
338R79.1Confident83.6Confident132 Ų13239.1 Ų39.150%0.49818%0.18SC..  trans-128.191.1-175.3-65.6178.8-177.9176.31109.2D297 T336 D340 S341D297-R338 PolarHBondContact OD2-N 2.91Å; T336-R338 PolarHBondContact OG1-N 3.12Å; T336-R338 PolarHBondContact OG1-O 3.13Å; R338-D340 PolarHBondContact O-N 3.23Å; R338-D340 VanDerWaalsContact O-N 3.17Å; R338-S341 VanDerWaalsContact CB-OG 3.26Å; R338-S341 WeakPolarHBondContact CB-OG 3.33Å; R338-S341 PolarHBondContact O-N 2.97Å; R338-S341 VanDerWaalsContact O-N 3.12Å; R338-S341 PolarHBondContact O-OG 3.07Å
339P81.1Confident84.4Confident17 Ų1742.9 Ų42.911%0.1121%0.207CC..THydrogen-bonded Turntrans-65-23.3179.130.2-36.6000111.9V231 T336 L342V231-P339 HydrophobicContact CG1-CB 4.14Å; V231-P339 HydrophobicContact CG1-CG 3.74Å; V231-P339 HydrophobicContact CG2-CB 4.22Å; T336-P339 HydrophobicContact CG2-CB 4.46Å; P339-L342 PolarHBondContact O-N 3.27Å
340D78.8Confident84.4Confident59 Ų5939 Ų3932%0.31621%0.205SC..THydrogen-bonded Turntrans-78-22.1177.8-67.5-46.7000113.7R302 R338 L342 R543R302-D340 WeakPolarHBondContact CD-O 3.44Å; R302-D340 PolarHBondContact NE-O 3.48Å; R302-D340 PolarHBondContact NH2-O 3.2Å; R302-D340 VanDerWaalsContact NH2-O 3.09Å; R302-D340 IonicContact NH2-OD1 3.57Å; R338-D340 PolarHBondContact O-N 3.23Å; R338-D340 VanDerWaalsContact O-N 3.17Å; D340-L342 VanDerWaalsContact C-N 3.28Å; D340-R543 IonicContact OD2-CZ 2.77Å; D340-R543 IonicContact OD2-NE 3.69Å; D340-R543 PolarHBondContact OD2-NE 3.07Å; D340-R543 IonicContact OD2-NH2 3.65Å; D340-R543 PolarHBondContact OD2-NH2 3.06Å
341S80.3Confident84.6Confident35 Ų3540.1 Ų40.125%0.24521%0.209CC..THydrogen-bonded Turntrans-79.1-16.3172.858.90000112D297 P301 R302 R338D297-S341 WeakPolarHBondContact CB-OG 3.48Å; P301-S341 CarbonylContact C-O 3.51Å; P301-S341 VanDerWaalsContact C-O 3.25Å; P301-S341 WeakPolarHBondContact CA-O 3.49Å; R302-S341 PolarHBondContact N-O 3.38Å; R338-S341 VanDerWaalsContact CB-OG 3.26Å; R338-S341 WeakPolarHBondContact CB-OG 3.33Å; R338-S341 PolarHBondContact O-N 2.97Å; R338-S341 VanDerWaalsContact O-N 3.12Å; R338-S341 PolarHBondContact O-OG 3.07Å
342L84.1Confident84.6Confident2 Ų240.2 Ų40.21%0.0121%0.209CC..BIsolated β-bridgetrans-72149.6179-66.4177.6000112.9L229 L296 D297 F300 R302 T336 P339 D340 P344L229-L342 HydrophobicContact CD1-CD1 4.22Å; L229-L342 HydrophobicContact CD2-CD1 4.06Å; L296-L342 HydrophobicContact CB-CD2 3.91Å; L296-L342 WeakPolarHBondContact O-CD2 3.5Å; D297-L342 HydrophobicContact CB-CD2 4.44Å; F300-L342 HydrophobicContact CB-CD2 4.27Å; F300-L342 WeakPolarHBondContact O-CA 3.36Å; R302-L342 VanDerWaalsContact CG-O 3.25Å; R302-L342 WeakPolarHBondContact CG-O 3.47Å; T336-L342 HydrophobicContact CG2-CD1 3.7Å; P339-L342 PolarHBondContact O-N 3.27Å; D340-L342 VanDerWaalsContact C-N 3.28Å; L342-P344 WeakPolarHBondContact O-CD 3.17Å
343D85.8Confident84.2Confident9 Ų942.6 Ų42.65%0.04822%0.222CC..  trans-59.3122.9169.8-169.1-40.2000110.2F300 R303 V314 A345 L346F300-D343 PolarHBondContact O-N 3.17Å; R303-D343 IonicContact CZ-OD2 3.43Å; R303-D343 IonicContact NE-OD2 3.87Å; R303-D343 PolarHBondContact NE-OD2 3.27Å; R303-D343 IonicContact NH2-OD2 2.83Å; R303-D343 PolarHBondContact NH2-OD2 3.01Å; V314-D343 HydrophobicContact CG1-CB 4.19Å; D343-A345 PolarHBondContact O-N 3.49Å; D343-A345 WeakPolarHBondContact OD1-CB 3.47Å; D343-A345 PolarHBondContact OD1-N 3.48Å; D343-L346 HydrophobicContact CB-CD1 4.42Å; D343-L346 WeakPolarHBondContact O-CB 3.41Å; D343-L346 PolarHBondContact O-N 3.37Å
344P84Confident83.8Confident68 Ų6848.8 Ų48.844%0.44225%0.245SC..THydrogen-bonded Turntrans-56.9-22.5177.9-2534.2000114.1L342 L346 R347L342-P344 WeakPolarHBondContact O-CD 3.17Å; P344-L346 PolarHBondContact O-N 3.29Å; P344-R347 PolarHBondContact O-N 2.97Å
345A85.6Confident83.5Confident10 Ų1051.3 Ų51.38%0.08326%0.257CS..THydrogen-bonded Turntrans-64-29176.800000112.5L318 D343 R351L318-A345 HydrophobicContact CD1-CB 3.97Å; D343-A345 PolarHBondContact O-N 3.49Å; D343-A345 WeakPolarHBondContact OD1-CB 3.47Å; D343-A345 PolarHBondContact OD1-N 3.48Å; A345-R351 VanDerWaalsContact O-CD 3.28Å; A345-R351 WeakPolarHBondContact O-CD 3.29Å; A345-R351 PolarHBondContact O-NH1 2.9Å
346L85.1Confident83.2Confident0 Ų051.8 Ų51.80%026%0.26CS..THydrogen-bonded Turntrans-71.7-31.8176.4-73.2167.8000111.9F300 L317 L318 M321 D343 P344 R348 R351 F352F300-L346 HydrophobicContact CB-CD1 3.74Å; F300-L346 HydrophobicContact CD2-CD1 4.46Å; F300-L346 HydrophobicContact CG-CD1 4.04Å; L317-L346 HydrophobicContact CD2-CD2 3.77Å; L317-L346 HydrophobicContact CG-CD2 4.41Å; L318-L346 HydrophobicContact CD2-CD2 3.36Å; L318-L346 HydrophobicContact CD2-CG 3.96Å; L318-L346 HydrophobicContact CG-CD2 4.45Å; M321-L346 HydrophobicContact SD-CD2 4.13Å; D343-L346 HydrophobicContact CB-CD1 4.42Å; D343-L346 WeakPolarHBondContact O-CB 3.41Å; D343-L346 PolarHBondContact O-N 3.37Å; P344-L346 PolarHBondContact O-N 3.29Å; L346-R348 VanDerWaalsContact C-N 3.27Å; L346-R348 PolarHBondContact O-N 3.17Å; L346-R351 WeakPolarHBondContact O-CB 3.34Å; L346-F352 HydrophobicContact CB-CD2 3.99Å; L346-F352 HydrophobicContact CB-CE2 4.31Å; L346-F352 HydrophobicContact CD2-CD2 4.45Å; L346-F352 HydrophobicContact CD2-CE2 4.1Å; L346-F352 WeakPolarHBondContact O-CB 3.49Å; L346-F352 WeakPolarHBondContact O-CD2 3.39Å; L346-F352 PolarHBondContact O-N 3.44Å; L346-F352 VanDerWaalsContact O-N 3.13Å
347R85.1Confident82.9Confident89 Ų8957 Ų5734%0.33629%0.286SS..THydrogen-bonded Turntrans-83.24-179.5-59179.166.6-177.21.4113.9P344 E355P344-R347 PolarHBondContact O-N 2.97Å; R347-E355 IonicContact CZ-OE1 3.39Å; R347-E355 VanDerWaalsContact CZ-OE1 3.27Å; R347-E355 IonicContact CZ-OE2 3.29Å; R347-E355 IonicContact NE-OE1 2.83Å; R347-E355 PolarHBondContact NE-OE1 2.94Å; R347-E355 IonicContact NE-OE2 3.49Å; R347-E355 VanDerWaalsContact NH2-CD 3.33Å; R347-E355 IonicContact NH2-OE1 2.77Å; R347-E355 PolarHBondContact NH2-OE1 3.48Å; R347-E355 IonicContact NH2-OE2 3.52Å; R347-E355 PolarHBondContact NH2-OE2 3.41Å
348R85.1Confident82.9Confident159 Ų15954.7 Ų54.760%0.627%0.274SS*.SBendtrans-79.6147.5179-69.8-177.6-176.6-179.4-0110.6L346 R351L346-R348 VanDerWaalsContact C-N 3.27Å; L346-R348 PolarHBondContact O-N 3.17Å; R348-R351 PolarHBondContact O-N 2.96Å
349P79.1Confident82.9Confident123 Ų12350.1 Ų50.180%0.79927%0.268SS*.THydrogen-bonded Turntrans-55.9139.4173.1-20.430.4000111.7D353P349-D353 VanDerWaalsContact CA-OD1 3.24Å; P349-D353 WeakPolarHBondContact CA-OD1 3.39Å
350G75Confident82.9Confident43 Ų4350 Ų5044%0.44327%0.268SS..THydrogen-bonded Turntrans101.1-11.4-167.700000114.4D353G350-D353 WeakPolarHBondContact CA-OD1 3.35Å; G350-D353 PolarHBondContact N-OD1 3.39Å
351R84.9Confident83.2Confident39 Ų3947.7 Ų47.715%0.14726%0.256CS..SBendtrans-127.4-105.2-175.3-65.4169.1-177.7172.3-3109.9G227 L318 M321 D322 A345 L346 R348 D353G227-R351 VanDerWaalsContact CA-O 3.23Å; G227-R351 WeakPolarHBondContact CA-O 3.18Å; G227-R351 PolarHBondContact N-O 2.98Å; L318-R351 VanDerWaalsContact CD2-CZ 3.47Å; M321-R351 HydrophobicContact CE-CB 3.66Å; M321-R351 HydrophobicContact CE-CG 4.24Å; M321-R351 HydrophobicContact SD-CB 4.39Å; D322-R351 IonicContact OD1-CZ 3.61Å; D322-R351 IonicContact OD1-NE 3.65Å; D322-R351 PolarHBondContact OD1-NE 3.47Å; D322-R351 IonicContact OD1-NH2 2.99Å; D322-R351 IonicContact OD2-CZ 2.65Å; D322-R351 IonicContact OD2-NE 3.74Å; D322-R351 IonicContact OD2-NH2 3.99Å; D322-R351 PolarHBondContact OD2-NH2 3.32Å; A345-R351 VanDerWaalsContact O-CD 3.28Å; A345-R351 WeakPolarHBondContact O-CD 3.29Å; A345-R351 PolarHBondContact O-NH1 2.9Å; L346-R351 WeakPolarHBondContact O-CB 3.34Å; R348-R351 PolarHBondContact O-N 2.96Å; R351-D353 PolarHBondContact N-OD1 3.46Å; R351-D353 PolarHBondContact O-N 3.4Å
352F86.5Confident83.3Confident3 Ų347.4 Ų47.41%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-84.488.4167.7-66.2-67.9000109.3L229 L296 M321 I332 L346L229-F352 HydrophobicContact CB-CB 4.12Å; L229-F352 HydrophobicContact CB-CD1 4.06Å; L229-F352 HydrophobicContact CB-CG 4.16Å; L296-F352 HydrophobicContact CD1-CE2 4.14Å; L296-F352 HydrophobicContact CD1-CZ 3.86Å; M321-F352 HydrophobicContact CE-CD2 4.34Å; M321-F352 HydrophobicContact CE-CE2 4.19Å; M321-F352 HydrophobicContact CE-CZ 4.28Å; M321-F352 HydrophobicContact SD-CE2 4.38Å; I332-F352 HydrophobicContact CG2-CE1 4.05Å; I332-F352 HydrophobicContact CG2-CZ 4.18Å; L346-F352 HydrophobicContact CB-CD2 3.99Å; L346-F352 HydrophobicContact CB-CE2 4.31Å; L346-F352 HydrophobicContact CD2-CD2 4.45Å; L346-F352 HydrophobicContact CD2-CE2 4.1Å; L346-F352 WeakPolarHBondContact O-CB 3.49Å; L346-F352 WeakPolarHBondContact O-CD2 3.39Å; L346-F352 PolarHBondContact O-N 3.44Å; L346-F352 VanDerWaalsContact O-N 3.13Å
353D82.6Confident83.2Confident51 Ų5150.6 Ų50.627%0.27327%0.27SS..EExtended strand (participates in β ladder)trans-79.6-28.7-175.7-59.4-30.2000112.3P225 R226 G227 P349 G350 R351P225-D353 WeakPolarHBondContact CA-OD2 3.29Å; R226-D353 PolarHBondContact N-OD2 3.13Å; G227-D353 PolarHBondContact O-N 2.94Å; G227-D353 VanDerWaalsContact O-N 3.13Å; P349-D353 VanDerWaalsContact CA-OD1 3.24Å; P349-D353 WeakPolarHBondContact CA-OD1 3.39Å; G350-D353 WeakPolarHBondContact CA-OD1 3.35Å; G350-D353 PolarHBondContact N-OD1 3.39Å; R351-D353 PolarHBondContact N-OD1 3.46Å; R351-D353 PolarHBondContact O-N 3.4Å
354R83.1Confident83.1Confident133 Ų13355.7 Ų55.750%0.50230%0.297SS..EExtended strand (participates in β ladder)trans-120.1132-175.8-62.6-60.8-175.21630.6109.7M206 G227 V228 L229M206-R354 HydrophobicContact SD-CB 4.11Å; M206-R354 HydrophobicContact SD-CG 4.31Å; G227-R354 PolarHBondContact O-N 3.49Å; V228-R354 CarbonylContact C-O 3.5Å; V228-R354 WeakPolarHBondContact CA-O 3.48Å; V228-R354 HydrophobicContact CG1-CB 4.46Å; V228-R354 HydrophobicContact CG2-CB 4.37Å; L229-R354 PolarHBondContact N-O 3.24Å
355E84.2Confident83.3Confident53 Ų5354.1 Ų54.125%0.24828%0.284CS..EExtended strand (participates in β ladder)trans-115.4130.7173.2-58.7-174.7172.800107.9L229 R347L229-E355 HydrophobicContact CB-CG 4.27Å; L229-E355 HydrophobicContact CD2-CG 4.31Å; L229-E355 CarbonylContact O-C 3.49Å; L229-E355 VanDerWaalsContact O-CA 3.3Å; L229-E355 WeakPolarHBondContact O-CA 3.44Å; R347-E355 IonicContact CZ-OE1 3.39Å; R347-E355 VanDerWaalsContact CZ-OE1 3.27Å; R347-E355 IonicContact CZ-OE2 3.29Å; R347-E355 IonicContact NE-OE1 2.83Å; R347-E355 PolarHBondContact NE-OE1 2.94Å; R347-E355 IonicContact NE-OE2 3.49Å; R347-E355 VanDerWaalsContact NH2-CD 3.33Å; R347-E355 IonicContact NH2-OE1 2.77Å; R347-E355 PolarHBondContact NH2-OE1 3.48Å; R347-E355 IonicContact NH2-OE2 3.52Å; R347-E355 PolarHBondContact NH2-OE2 3.41Å
356V84.8Confident83.4Confident13 Ų1354.8 Ų54.88%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-118.2115.2175.5178.20000107.5V199 L203 M206 V228 L229 L230 V231V199-V356 HydrophobicContact CG1-CG1 3.62Å; L203-V356 HydrophobicContact CD2-CB 4.38Å; L203-V356 HydrophobicContact CD2-CG2 3.87Å; M206-V356 HydrophobicContact CE-CG2 4.09Å; M206-V356 HydrophobicContact SD-CG2 4.07Å; V228-V356 HydrophobicContact CG1-CG2 4.12Å; L229-V356 PolarHBondContact O-N 3.02Å; L230-V356 WeakPolarHBondContact CA-O 3.46Å; L230-V356 HydrophobicContact CD2-CB 3.87Å; L230-V356 HydrophobicContact CD2-CG1 4.32Å; V231-V356 PolarHBondContact N-O 3.07Å
357I82.3Confident83.7Confident108 Ų10859.7 Ų59.755%0.55431%0.305SS*.EExtended strand (participates in β ladder)trans-93.8122-177.5-56.1170.5000108.8V231V231-I357 HydrophobicContact CB-CG1 4.24Å; V231-I357 CarbonylContact O-C 3.51Å; V231-I357 WeakPolarHBondContact O-CA 3.47Å
358I83.8Confident83.9Confident3 Ų356.7 Ų56.72%0.01530%0.3CS..  trans-107.5113177.7-56.3171.2000107.3L196 V199 V231 G232 P233 V236 K238 L241L196-I358 HydrophobicContact CD2-CG2 4.05Å; V199-I358 HydrophobicContact CG1-CD1 4.18Å; V199-I358 HydrophobicContact CG1-CG1 3.95Å; V231-I358 PolarHBondContact O-N 3.24Å; G232-I358 WeakPolarHBondContact CA-O 3.5Å; P233-I358 WeakPolarHBondContact CD-O 3.33Å; V236-I358 HydrophobicContact CB-CG2 3.93Å; V236-I358 HydrophobicContact CG1-CG2 4.36Å; V236-I358 HydrophobicContact CG2-CB 4.28Å; V236-I358 HydrophobicContact CG2-CG2 3.76Å; K238-I358 HydrophobicContact CG-CD1 4.1Å; L241-I358 HydrophobicContact CD2-CD1 3.7Å
359G79.2Confident84.2Confident35 Ų3550.3 Ų50.336%0.36128%0.277SS..  trans-82.5-177.2175.700000113.2
360A81.6Confident84.7Confident15 Ų1544.5 Ų44.512%0.12424%0.239CC..SBendtrans-65.3146.616500000110.1A547A360-A547 VanDerWaalsContact CB-O 3.3Å; A360-A547 WeakPolarHBondContact CB-O 3.37Å; A360-A547 PolarHBondContact N-O 2.78Å
361P85Confident85.5Confident10 Ų1044.4 Ų44.47%0.06523%0.232CC..PPolyproline II helixtrans-68.1138.1-175.626.6-34.4000112.4Q365 R366 I369 Y395P361-Q365 VanDerWaalsContact CA-OE1 3.3Å; P361-Q365 HydrophobicContact CB-CB 3.87Å; P361-R366 HydrophobicContact CB-CG 3.84Å; P361-R366 HydrophobicContact CG-CG 3.68Å; P361-R366 PolarHBondContact O-NH1 2.94Å; P361-I369 HydrophobicContact CB-CD1 3.87Å; P361-I369 HydrophobicContact CG-CD1 4.15Å; P361-Y395 WeakPolarHBondContact CD-O 3.46Å; P361-Y395 VanDerWaalsContact CG-O 3.29Å; P361-Y395 WeakPolarHBondContact CG-O 3.29Å
362T82.3Confident85.6Confident30 Ų3043.5 Ų43.518%0.18423%0.231CC..PPolyproline II helixtrans-67.2170172.572.40000111.5L364 Q365 R366 N624T362-L364 VanDerWaalsContact C-N 3.29Å; T362-L364 PolarHBondContact O-N 3.32Å; T362-Q365 PolarHBondContact O-N 3.3Å; T362-Q365 VanDerWaalsContact OG1-CG 3.24Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.45Å; T362-Q365 PolarHBondContact OG1-N 3.03Å; T362-R366 WeakPolarHBondContact O-CB 3.43Å; T362-R366 WeakPolarHBondContact O-CG 3.39Å; T362-R366 PolarHBondContact O-N 3.47Å; T362-N624 WeakPolarHBondContact CG2-OD1 3.48Å
363L81.7Confident85.7Confident68 Ų6844.8 Ų44.836%0.35624%0.237SC..Hα-helixtrans-57.9-41179.2179.2137.9000112.8K367 Q390L363-K367 PolarHBondContact O-N 3.42Å; L363-Q390 HydrophobicContact CD1-CB 4.49Å; L363-Q390 HydrophobicContact CD1-CG 3.66Å
364L84.8Confident85.9Confident117 Ų11742.9 Ų42.961%0.61323%0.228SC*.Hα-helixtrans-65.9-44.1176.8-64.2178.2000110.9T362 K367 A368T362-L364 VanDerWaalsContact C-N 3.29Å; T362-L364 PolarHBondContact O-N 3.32Å; L364-K367 WeakPolarHBondContact O-CB 3.37Å; L364-K367 PolarHBondContact O-N 2.98Å; L364-A368 PolarHBondContact O-N 2.95Å
365Q87.6Confident86Confident35 Ų3543.4 Ų43.416%0.16424%0.237CC..Hα-helixtrans-65-41.1178-63.9174.5-21.900111.6G195 P361 T362 K367 A368 I369G195-Q365 WeakPolarHBondContact O-CG 3.24Å; G195-Q365 PolarHBondContact O-NE2 3.48Å; G195-Q365 VanDerWaalsContact O-NE2 3.11Å; P361-Q365 VanDerWaalsContact CA-OE1 3.3Å; P361-Q365 HydrophobicContact CB-CB 3.87Å; T362-Q365 PolarHBondContact O-N 3.3Å; T362-Q365 VanDerWaalsContact OG1-CG 3.24Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.45Å; T362-Q365 PolarHBondContact OG1-N 3.03Å; Q365-K367 VanDerWaalsContact C-N 3.34Å; Q365-K367 PolarHBondContact O-N 3.38Å; Q365-A368 PolarHBondContact O-N 3.39Å; Q365-I369 VanDerWaalsContact O-CG1 3.24Å; Q365-I369 WeakPolarHBondContact O-CG1 3.24Å; Q365-I369 PolarHBondContact O-N 2.88Å
366R88.2Confident85.8Confident23 Ų2348 Ų489%0.08725%0.251CS..Hα-helixtrans-61.4-41.6174.4-72.4-165.4-58.6-98.99.6112P361 T362 A368 I369 L370 A389 T392 L400P361-R366 HydrophobicContact CB-CG 3.84Å; P361-R366 HydrophobicContact CG-CG 3.68Å; P361-R366 PolarHBondContact O-NH1 2.94Å; T362-R366 WeakPolarHBondContact O-CB 3.43Å; T362-R366 WeakPolarHBondContact O-CG 3.39Å; T362-R366 PolarHBondContact O-N 3.47Å; R366-A368 VanDerWaalsContact C-N 3.34Å; R366-I369 PolarHBondContact O-N 3.14Å; R366-L370 WeakPolarHBondContact O-CB 3.48Å; R366-L370 WeakPolarHBondContact O-CG 3.36Å; R366-L370 PolarHBondContact O-N 2.83Å; R366-A389 HydrophobicContact CB-CB 4.2Å; R366-A389 PolarHBondContact NE-O 2.98Å; R366-A389 PolarHBondContact NH2-O 2.71Å; R366-T392 WeakPolarHBondContact CD-O 3.44Å; R366-T392 PolarHBondContact NE-O 3.11Å; R366-T392 VanDerWaalsContact NE-O 3.17Å; R366-L400 HydrophobicContact CB-CD1 4.24Å; R366-L400 HydrophobicContact CG-CD1 4.11Å
367K90.3Very high85.8Confident103 Ų10348.8 Ų48.845%0.44826%0.255SS..Hα-helixtrans-60.9-44.1174.6-175-174.1174.8-173.30111.1L363 L364 Q365 L370 S371 I385 A389L363-K367 PolarHBondContact O-N 3.42Å; L364-K367 WeakPolarHBondContact O-CB 3.37Å; L364-K367 PolarHBondContact O-N 2.98Å; Q365-K367 VanDerWaalsContact C-N 3.34Å; Q365-K367 PolarHBondContact O-N 3.38Å; K367-L370 PolarHBondContact O-N 3.37Å; K367-S371 PolarHBondContact O-N 2.91Å; K367-S371 PolarHBondContact O-OG 3.26Å; K367-I385 HydrophobicContact CG-CG2 4.13Å; K367-A389 HydrophobicContact CB-CB 4.15Å
368A90Very high85.8Confident27 Ų2747.4 Ų47.422%0.22325%0.253CS..Hα-helixtrans-65.2-39.9176.900000112.6L364 Q365 R366 S371 V372L364-A368 PolarHBondContact O-N 2.95Å; Q365-A368 PolarHBondContact O-N 3.39Å; R366-A368 VanDerWaalsContact C-N 3.34Å; A368-S371 WeakPolarHBondContact CA-OG 3.3Å; A368-S371 PolarHBondContact O-N 2.98Å; A368-S371 PolarHBondContact O-OG 2.99Å; A368-V372 WeakPolarHBondContact O-CG2 3.3Å; A368-V372 PolarHBondContact O-N 3.22Å
369I90.7Very high85.9Confident25 Ų2549.1 Ų49.113%0.12826%0.263CS..Hα-helixtrans-63.7-47.2174.5-66.7162.7000110G194 P361 Q365 R366 S371 V372 L373 L400G194-I369 WeakPolarHBondContact O-CG1 3.49Å; P361-I369 HydrophobicContact CB-CD1 3.87Å; P361-I369 HydrophobicContact CG-CD1 4.15Å; Q365-I369 VanDerWaalsContact O-CG1 3.24Å; Q365-I369 WeakPolarHBondContact O-CG1 3.24Å; Q365-I369 PolarHBondContact O-N 2.88Å; R366-I369 PolarHBondContact O-N 3.14Å; I369-S371 PolarHBondContact O-N 3.07Å; I369-V372 PolarHBondContact O-N 3.11Å; I369-L373 HydrophobicContact CG2-CD1 3.75Å; I369-L373 HydrophobicContact CG2-CG 4.29Å; I369-L373 WeakPolarHBondContact O-CB 3.41Å; I369-L373 VanDerWaalsContact O-CG 3.26Å; I369-L373 WeakPolarHBondContact O-CG 3.42Å; I369-L373 PolarHBondContact O-N 3.16Å; I369-L400 HydrophobicContact CB-CD1 4.01Å; I369-L400 HydrophobicContact CD1-CD1 4.32Å; I369-L400 HydrophobicContact CG2-CB 4.26Å; I369-L400 HydrophobicContact CG2-CD1 3.73Å
370L90.9Very high86.1Confident0 Ų052.7 Ų52.70%027%0.266CS..Hα-helixtrans-64.2-38.2179-75.8170.1000112.1R366 K367 V372 L373 C374 I385 L388 A389 L400R366-L370 WeakPolarHBondContact O-CB 3.48Å; R366-L370 WeakPolarHBondContact O-CG 3.36Å; R366-L370 PolarHBondContact O-N 2.83Å; K367-L370 PolarHBondContact O-N 3.37Å; L370-V372 PolarHBondContact O-N 3.4Å; L370-L373 PolarHBondContact O-N 3.04Å; L370-C374 VanDerWaalsContact O-CB 3.23Å; L370-C374 WeakPolarHBondContact O-CB 3.32Å; L370-C374 PolarHBondContact O-N 3.44Å; L370-C374 PolarHBondContact O-SG 3.19Å; L370-I385 HydrophobicContact CB-CG2 3.53Å; L370-I385 HydrophobicContact CD1-CG2 4.22Å; L370-L388 HydrophobicContact CD1-CB 3.99Å; L370-A389 HydrophobicContact CD1-CB 4.21Å; L370-L400 HydrophobicContact CD1-CD2 4.37Å; L370-L400 HydrophobicContact CD2-CB 4.22Å; L370-L400 HydrophobicContact CD2-CD2 4.06Å; L370-L400 HydrophobicContact CG-CD1 4.39Å; L370-L400 HydrophobicContact CG-CD2 4.22Å
371S90.4Very high86Confident41 Ų4158.3 Ų58.329%0.28730%0.301SS..Hα-helixtrans-61.8-46176.660.70000111.5K367 A368 I369 L373 C374 E375K367-S371 PolarHBondContact O-N 2.91Å; K367-S371 PolarHBondContact O-OG 3.26Å; A368-S371 WeakPolarHBondContact CA-OG 3.3Å; A368-S371 PolarHBondContact O-N 2.98Å; A368-S371 PolarHBondContact O-OG 2.99Å; I369-S371 PolarHBondContact O-N 3.07Å; S371-L373 VanDerWaalsContact C-N 3.34Å; S371-L373 PolarHBondContact O-N 3.41Å; S371-C374 PolarHBondContact O-N 3.45Å; S371-E375 WeakPolarHBondContact O-CG 3.33Å; S371-E375 PolarHBondContact O-N 3Å
372V88.6Confident85.9Confident20 Ų2062.4 Ų62.412%0.12133%0.326CS..Hα-helixtrans-62.6-39.8176.5167.30000112.2P192 A368 I369 L370P192-V372 HydrophobicContact CB-CG1 3.89Å; P192-V372 HydrophobicContact CB-CG2 4.07Å; P192-V372 HydrophobicContact CG-CG1 3.97Å; P192-V372 WeakPolarHBondContact O-CG1 3.48Å; A368-V372 WeakPolarHBondContact O-CG2 3.3Å; A368-V372 PolarHBondContact O-N 3.22Å; I369-V372 PolarHBondContact O-N 3.11Å; L370-V372 PolarHBondContact O-N 3.4Å
373L88.4Confident85.9Confident30 Ų3061.6 Ų61.616%0.15732%0.321CS..Hα-helixtrans-69.5-40.2177-70.1172.5000111.5I369 L370 S371 R376 L400I369-L373 HydrophobicContact CG2-CD1 3.75Å; I369-L373 HydrophobicContact CG2-CG 4.29Å; I369-L373 WeakPolarHBondContact O-CB 3.41Å; I369-L373 VanDerWaalsContact O-CG 3.26Å; I369-L373 WeakPolarHBondContact O-CG 3.42Å; I369-L373 PolarHBondContact O-N 3.16Å; L370-L373 PolarHBondContact O-N 3.04Å; S371-L373 VanDerWaalsContact C-N 3.34Å; S371-L373 PolarHBondContact O-N 3.41Å; L373-R376 WeakPolarHBondContact O-CB 3.13Å; L373-R376 PolarHBondContact O-N 3.17Å; L373-L400 HydrophobicContact CD1-CB 3.96Å
374C86.6Confident86.3Confident12 Ų1262.2 Ų62.28%0.08133%0.325CS..Hα-helixtrans-69.5-31178.6-720000112.7L370 S371 R376 M377 V379L370-C374 VanDerWaalsContact O-CB 3.23Å; L370-C374 WeakPolarHBondContact O-CB 3.32Å; L370-C374 PolarHBondContact O-N 3.44Å; L370-C374 PolarHBondContact O-SG 3.19Å; S371-C374 PolarHBondContact O-N 3.45Å; C374-R376 PolarHBondContact O-N 2.88Å; C374-R376 VanDerWaalsContact O-N 3.14Å; C374-M377 WeakPolarHBondContact O-CG 3.44Å; C374-M377 PolarHBondContact O-N 2.98Å; C374-M377 VanDerWaalsContact O-N 3.08Å; C374-V379 HydrophobicContact CB-CG2 3.83Å
375E85.1Confident86.5Confident144 Ų14458.7 Ų58.767%0.67331%0.306SS*.Hα-helixtrans-58.1-25.9173.3-79.9170.3-166.500113.1S371 M377S371-E375 WeakPolarHBondContact O-CG 3.33Å; S371-E375 PolarHBondContact O-N 3Å; E375-M377 VanDerWaalsContact C-N 3.34Å
376R79.8Confident86.5Confident149 Ų14958.5 Ų58.556%0.56231%0.311SS*.THydrogen-bonded Turntrans-85.4-7.6-178.9-63.5170.4164.9-132.6-28.2113.6P191 L373 C374P191-R376 VanDerWaalsContact CB-CZ 3.45Å; P191-R376 VanDerWaalsContact CG-NH2 3.3Å; L373-R376 WeakPolarHBondContact O-CB 3.13Å; L373-R376 PolarHBondContact O-N 3.17Å; C374-R376 PolarHBondContact O-N 2.88Å; C374-R376 VanDerWaalsContact O-N 3.14Å
377M83.9Confident86.5Confident29 Ų2961.6 Ų61.614%0.14333%0.326CS..SBendtrans-130.8149-174.552.9179.8-76.400110.9C374 E375 V379 C404 V424 F429C374-M377 WeakPolarHBondContact O-CG 3.44Å; C374-M377 PolarHBondContact O-N 2.98Å; C374-M377 VanDerWaalsContact O-N 3.08Å; E375-M377 VanDerWaalsContact C-N 3.34Å; M377-V379 HydrophobicContact CE-CG2 3.65Å; M377-V379 HydrophobicContact CG-CG2 3.57Å; M377-V379 PolarHBondContact O-N 3.24Å; M377-V379 HydrophobicContact SD-CG2 4.11Å; M377-C404 HydrophobicContact SD-CB 3.84Å; M377-V424 HydrophobicContact CE-CB 3.66Å; M377-V424 HydrophobicContact CE-CG1 3.71Å; M377-V424 HydrophobicContact CE-CG2 3.5Å; M377-V424 VanDerWaalsContact CE-CG2 3.5Å; M377-F429 HydrophobicContact CE-CE2 4.44Å; M377-F429 HydrophobicContact CE-CZ 3.89Å
378P83.3Confident86.3Confident80 Ų8056.8 Ų56.852%0.51931%0.305SS..  trans-72.889.5176.429.5-35000110.4Q422 V423 V424P378-Q422 WeakPolarHBondContact CB-O 3.2Å; P378-Q422 WeakPolarHBondContact CG-O 3.42Å; P378-V423 WeakPolarHBondContact O-CA 3.49Å; P378-V424 PolarHBondContact O-N 2.79Å
379V85.4Confident86.2Confident38 Ų3855.5 Ų55.523%0.2329%0.294CS..BIsolated β-bridgetrans-97.1137.9176.2-164.40000110.2C374 M377 V383 F429C374-V379 HydrophobicContact CB-CG2 3.83Å; M377-V379 HydrophobicContact CE-CG2 3.65Å; M377-V379 HydrophobicContact CG-CG2 3.57Å; M377-V379 PolarHBondContact O-N 3.24Å; M377-V379 HydrophobicContact SD-CG2 4.11Å; V379-V383 HydrophobicContact CG1-CB 3.66Å; V379-V383 HydrophobicContact CG1-CG1 4.13Å; V379-V383 HydrophobicContact CG1-CG2 3.56Å; V379-F429 HydrophobicContact CG1-CE2 4.41Å
380R84.5Confident85.8Confident110 Ų11057.4 Ų57.442%0.41530%0.303SS..  trans-68.5139.1171.5-163174.2-81.2156.2-4.5109.5T382 V383 V423 V424 D425R380-T382 WeakPolarHBondContact CB-OG1 3.47Å; R380-T382 WeakPolarHBondContact CD-OG1 3.44Å; R380-T382 HydrophobicContact CG-CG2 4.1Å; R380-T382 WeakPolarHBondContact CG-OG1 3.48Å; R380-T382 PolarHBondContact O-N 3.15Å; R380-V383 PolarHBondContact O-N 2.97Å; R380-V423 HydrophobicContact CB-CG1 3.66Å; R380-V423 HydrophobicContact CG-CG1 4.43Å; R380-V424 PolarHBondContact N-O 3.29Å; R380-V424 VanDerWaalsContact N-O 3.08Å; R380-D425 VanDerWaalsContact CD-OD1 3.31Å; R380-D425 WeakPolarHBondContact CD-OD1 3.47Å; R380-D425 IonicContact CZ-OD1 2.79Å; R380-D425 VanDerWaalsContact CZ-OD1 3.22Å; R380-D425 IonicContact CZ-OD2 3.03Å; R380-D425 IonicContact NE-OD1 3.09Å; R380-D425 PolarHBondContact NE-OD1 3.4Å; R380-D425 IonicContact NH1-OD1 2.6Å; R380-D425 PolarHBondContact NH1-OD1 2.79Å; R380-D425 IonicContact NH1-OD2 3.54Å; R380-D425 PolarHBondContact NH1-OD2 3.49Å; R380-D425 IonicContact NH2-OD2 2.88Å
381P78.9Confident85.4Confident133 Ų13361.6 Ų61.686%0.86432%0.324SS*.THydrogen-bonded Turntrans-62.9-7.9177.324.8-35.6000114.2V383P381-V383 PolarHBondContact O-N 3.19Å
382T82.1Confident85.1Confident97 Ų9759.7 Ų59.760%0.59531%0.311SS*.THydrogen-bonded Turntrans-69.3-17.7171.952.40000113.2R380 N384R380-T382 WeakPolarHBondContact CB-OG1 3.47Å; R380-T382 WeakPolarHBondContact CD-OG1 3.44Å; R380-T382 HydrophobicContact CG-CG2 4.1Å; R380-T382 WeakPolarHBondContact CG-OG1 3.48Å; R380-T382 PolarHBondContact O-N 3.15Å; T382-N384 PolarHBondContact O-N 3.48Å
383V83.9Confident84.6Confident13 Ų1360 Ų608%0.07931%0.313CS..  trans-76.5115.1-178.2178.50000110.3V379 R380 P381 I385 L388 M426 F429V379-V383 HydrophobicContact CG1-CB 3.66Å; V379-V383 HydrophobicContact CG1-CG1 4.13Å; V379-V383 HydrophobicContact CG1-CG2 3.56Å; R380-V383 PolarHBondContact O-N 2.97Å; P381-V383 PolarHBondContact O-N 3.19Å; V383-I385 PolarHBondContact O-N 3.21Å; V383-L388 HydrophobicContact CG1-CD1 3.69Å; V383-M426 HydrophobicContact CG1-SD 4.18Å; V383-M426 HydrophobicContact CG2-CB 4.46Å; V383-F429 HydrophobicContact CG1-CD2 4.13Å; V383-F429 HydrophobicContact CG1-CE2 3.96Å; V383-F429 HydrophobicContact CG2-CE2 4.42Å
384N88.8Confident84.1Confident80 Ų8058.8 Ų58.843%0.42831%0.308SS..  trans-83.499.5176.2-171.4-7.1000111.4T382 A386 E387 L388 M426T382-N384 PolarHBondContact O-N 3.48Å; N384-A386 PolarHBondContact O-N 3.26Å; N384-A386 WeakPolarHBondContact OD1-CB 3.37Å; N384-A386 PolarHBondContact OD1-N 2.63Å; N384-E387 HydrophobicContact CB-CB 3.98Å; N384-E387 WeakPolarHBondContact O-CB 3.43Å; N384-E387 PolarHBondContact O-N 3.38Å; N384-E387 PolarHBondContact OD1-N 3.47Å; N384-L388 PolarHBondContact O-N 3.17Å; N384-L388 VanDerWaalsContact O-N 3.16Å; N384-M426 HydrophobicContact CB-CE 4.17Å
385I89.4Confident83.9Confident44 Ų4458.9 Ų58.923%0.22631%0.307CS..Hα-helixtrans-61.5-32.2178.8-55.9171.1000111.8K367 L370 V383 E387 L388 A389K367-I385 HydrophobicContact CG-CG2 4.13Å; L370-I385 HydrophobicContact CB-CG2 3.53Å; L370-I385 HydrophobicContact CD1-CG2 4.22Å; V383-I385 PolarHBondContact O-N 3.21Å; I385-E387 VanDerWaalsContact C-N 3.33Å; I385-E387 PolarHBondContact O-N 3.3Å; I385-L388 PolarHBondContact O-N 3.13Å; I385-A389 WeakPolarHBondContact O-CB 3.42Å; I385-A389 PolarHBondContact O-N 3.01Å
386A88.3Confident84.1Confident31 Ų3152 Ų5226%0.25628%0.275SS..Hα-helixtrans-69-34.3179.500000112N384 Q390N384-A386 PolarHBondContact O-N 3.26Å; N384-A386 WeakPolarHBondContact OD1-CB 3.37Å; N384-A386 PolarHBondContact OD1-N 2.63Å; A386-Q390 WeakPolarHBondContact O-CG 3.45Å; A386-Q390 PolarHBondContact O-N 3.08Å
387E86.8Confident84.5Confident87 Ų8745.8 Ų45.841%0.40726%0.257SS..Hα-helixtrans-69.7-44174.3-172.3179.1179.700110.9N384 I385 A389 Q390 I391 M426N384-E387 HydrophobicContact CB-CB 3.98Å; N384-E387 WeakPolarHBondContact O-CB 3.43Å; N384-E387 PolarHBondContact O-N 3.38Å; N384-E387 PolarHBondContact OD1-N 3.47Å; I385-E387 VanDerWaalsContact C-N 3.33Å; I385-E387 PolarHBondContact O-N 3.3Å; E387-A389 VanDerWaalsContact C-N 3.33Å; E387-A389 PolarHBondContact O-N 3.44Å; E387-Q390 WeakPolarHBondContact O-CB 3.31Å; E387-Q390 PolarHBondContact O-N 2.83Å; E387-I391 HydrophobicContact CG-CD1 4.08Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 3.13Å; E387-I391 VanDerWaalsContact O-N 3.1Å; E387-M426 HydrophobicContact CB-CE 4.39Å
388L87.8Confident84.7Confident2 Ų246.6 Ų46.61%0.0127%0.268CS..Hα-helixtrans-57.5-45.7174.5-69.7176.2000111.7L370 V383 N384 I385 Q390 I391 T392 M426 F429L370-L388 HydrophobicContact CD1-CB 3.99Å; V383-L388 HydrophobicContact CG1-CD1 3.69Å; N384-L388 PolarHBondContact O-N 3.17Å; N384-L388 VanDerWaalsContact O-N 3.16Å; I385-L388 PolarHBondContact O-N 3.13Å; L388-Q390 PolarHBondContact O-N 2.79Å; L388-I391 PolarHBondContact O-N 2.91Å; L388-I391 VanDerWaalsContact O-N 3.1Å; L388-T392 WeakPolarHBondContact O-CG2 3.48Å; L388-T392 PolarHBondContact O-N 3.43Å; L388-T392 PolarHBondContact O-OG1 3.39Å; L388-T392 VanDerWaalsContact O-OG1 3.07Å; L388-M426 HydrophobicContact CD1-SD 4.38Å; L388-M426 HydrophobicContact CD2-CE 4.39Å; L388-M426 HydrophobicContact CD2-SD 3.77Å; L388-M426 HydrophobicContact CG-CE 4.27Å; L388-M426 HydrophobicContact CG-SD 4.06Å; L388-F429 HydrophobicContact CD1-CB 4.5Å; L388-F429 HydrophobicContact CD1-CD1 3.97Å; L388-F429 HydrophobicContact CD1-CD2 4.14Å; L388-F429 HydrophobicContact CD1-CE1 4.18Å; L388-F429 HydrophobicContact CD1-CE2 4.34Å; L388-F429 HydrophobicContact CD1-CG 3.95Å; L388-F429 HydrophobicContact CD1-CZ 4.35Å; L388-F429 HydrophobicContact CD2-CB 3.86Å; L388-F429 HydrophobicContact CD2-CD1 4.44Å; L388-F429 HydrophobicContact CD2-CG 4.19Å
389A87.1Confident85Confident0 Ų043 Ų430%025%0.245CC..Hα-helixtrans-62.2-27.1177.800000113.8R366 K367 L370 I385 E387R366-A389 HydrophobicContact CB-CB 4.2Å; R366-A389 PolarHBondContact NE-O 2.98Å; R366-A389 PolarHBondContact NH2-O 2.71Å; K367-A389 HydrophobicContact CB-CB 4.15Å; L370-A389 HydrophobicContact CD1-CB 4.21Å; I385-A389 WeakPolarHBondContact O-CB 3.42Å; I385-A389 PolarHBondContact O-N 3.01Å; E387-A389 VanDerWaalsContact C-N 3.33Å; E387-A389 PolarHBondContact O-N 3.44Å
390Q83.1Confident85.3Confident66 Ų6641.2 Ų41.231%0.30823%0.234SC..Hα-helixtrans-74.9-37.6174.2-73.5171.324.800112.1L363 A386 E387 L388 T393 R515L363-Q390 HydrophobicContact CD1-CB 4.49Å; L363-Q390 HydrophobicContact CD1-CG 3.66Å; A386-Q390 WeakPolarHBondContact O-CG 3.45Å; A386-Q390 PolarHBondContact O-N 3.08Å; E387-Q390 WeakPolarHBondContact O-CB 3.31Å; E387-Q390 PolarHBondContact O-N 2.83Å; L388-Q390 PolarHBondContact O-N 2.79Å; Q390-T393 WeakPolarHBondContact O-CG2 3.48Å; Q390-R515 VanDerWaalsContact OE1-CZ 3.22Å; Q390-R515 VanDerWaalsContact OE1-NH2 3.16Å
391I82.1Confident85.6Confident88 Ų8838.8 Ų38.845%0.45123%0.233SC..Hα-helixtrans-78-33.3-178.6-60.2163.5000110.9E387 L388 T393 L433E387-I391 HydrophobicContact CG-CD1 4.08Å; E387-I391 WeakPolarHBondContact O-CG1 3.48Å; E387-I391 PolarHBondContact O-N 3.13Å; E387-I391 VanDerWaalsContact O-N 3.1Å; L388-I391 PolarHBondContact O-N 2.91Å; L388-I391 VanDerWaalsContact O-N 3.1Å; I391-T393 PolarHBondContact O-N 2.9Å; I391-L433 HydrophobicContact CG2-CD1 3.85Å; I391-L433 HydrophobicContact CG2-CD2 4.45Å
392T83.3Confident86.2Confident0 Ų033.5 Ų33.50%020%0.201CC..  trans-83.848.8-178.363.70000112.8R366 L388 Y395 L400 L403 L433R366-T392 WeakPolarHBondContact CD-O 3.44Å; R366-T392 PolarHBondContact NE-O 3.11Å; R366-T392 VanDerWaalsContact NE-O 3.17Å; L388-T392 WeakPolarHBondContact O-CG2 3.48Å; L388-T392 PolarHBondContact O-N 3.43Å; L388-T392 PolarHBondContact O-OG1 3.39Å; L388-T392 VanDerWaalsContact O-OG1 3.07Å; T392-Y395 HydrophobicContact CG2-CD1 4.18Å; T392-Y395 HydrophobicContact CG2-CD2 4.41Å; T392-Y395 HydrophobicContact CG2-CE1 4.26Å; T392-Y395 HydrophobicContact CG2-CE2 4.48Å; T392-Y395 HydrophobicContact CG2-CG 4.25Å; T392-Y395 PolarHBondContact O-N 2.9Å; T392-L400 HydrophobicContact CG2-CD2 4.03Å; T392-L403 HydrophobicContact CG2-CD2 3.69Å; T392-L433 HydrophobicContact CG2-CD2 3.89Å
393T78.4Confident86.7Confident26 Ų2628.9 Ų28.916%0.1617%0.173CC..THydrogen-bonded Turntrans-66.1133.1174.650.50000111Q390 I391 Y395 R515Q390-T393 WeakPolarHBondContact O-CG2 3.48Å; I391-T393 PolarHBondContact O-N 2.9Å; T393-Y395 PolarHBondContact O-N 3.29Å; T393-R515 WeakPolarHBondContact CG2-O 3.46Å
394G76.7Confident87.1Confident6 Ų628.6 Ų28.66%0.06217%0.172CC..THydrogen-bonded Turntrans77.23.2-179.500000114.9P438G394-P438 WeakPolarHBondContact O-CB 3.33Å
395Y84.1Confident87.2Confident13 Ų1333 Ų335%0.05118%0.182CC..  trans-74.9139.7172.1-80.7-125000110.2P361 T392 T393 D399 L400 L433 V436 P438P361-Y395 WeakPolarHBondContact CD-O 3.46Å; P361-Y395 VanDerWaalsContact CG-O 3.29Å; P361-Y395 WeakPolarHBondContact CG-O 3.29Å; T392-Y395 HydrophobicContact CG2-CD1 4.18Å; T392-Y395 HydrophobicContact CG2-CD2 4.41Å; T392-Y395 HydrophobicContact CG2-CE1 4.26Å; T392-Y395 HydrophobicContact CG2-CE2 4.48Å; T392-Y395 HydrophobicContact CG2-CG 4.25Å; T392-Y395 PolarHBondContact O-N 2.9Å; T393-Y395 PolarHBondContact O-N 3.29Å; Y395-D399 HydrophobicContact CD1-CB 3.5Å; Y395-D399 HydrophobicContact CE1-CB 4.29Å; Y395-D399 HydrophobicContact CG-CB 4.04Å; Y395-L400 HydrophobicContact CD1-CD2 4.12Å; Y395-L400 HydrophobicContact CG-CD2 4.29Å; Y395-L433 HydrophobicContact CE1-CD2 4.49Å; Y395-L433 WeakPolarHBondContact OH-CD2 3.27Å; Y395-V436 HydrophobicContact CE1-CG1 4.06Å; Y395-V436 PolarHBondContact OH-O 2.88Å; Y395-P438 HydrophobicContact CD2-CB 3.84Å; Y395-P438 HydrophobicContact CD2-CG 4.49Å; Y395-P438 HydrophobicContact CE2-CB 4.04Å; Y395-P438 HydrophobicContact CE2-CG 4.26Å; Y395-P438 HydrophobicContact CG-CB 4.47Å
396V87.8Confident87.4Confident0 Ų032.8 Ų32.80%018%0.18CC..  trans-96.7165.2174.9-155.50000109.9G235 V236 A398 D399 L400 C440G235-V396 VanDerWaalsContact O-CG1 3.3Å; G235-V396 WeakPolarHBondContact O-CG1 3.44Å; V236-V396 VanDerWaalsContact CA-CG1 3.4Å; V236-V396 HydrophobicContact CB-CG1 3.96Å; V236-V396 HydrophobicContact CG1-CG1 3.35Å; V396-A398 PolarHBondContact O-N 3.32Å; V396-A398 VanDerWaalsContact O-N 3.17Å; V396-D399 PolarHBondContact N-OD2 2.65Å; V396-D399 WeakPolarHBondContact O-CA 3.48Å; V396-D399 WeakPolarHBondContact O-CB 3.39Å; V396-D399 PolarHBondContact O-N 3.38Å; V396-L400 PolarHBondContact O-N 2.75Å; V396-C440 HydrophobicContact CG2-CB 4.18Å; V396-C440 WeakPolarHBondContact CG2-SG 3.43Å
397G88.2Confident87.5Confident18 Ų1831.3 Ų31.319%0.18617%0.168CC..Hα-helixtrans-51.9-38.3177.900000113.9G235 L400 S401G235-G397 PolarHBondContact O-N 2.86Å; G397-L400 PolarHBondContact O-N 2.72Å; G397-S401 WeakPolarHBondContact O-CB 3.3Å; G397-S401 PolarHBondContact O-N 2.91Å
398A88.3Confident87.7Confident47 Ų4729 Ų2939%0.38816%0.163SC..Hα-helixtrans-64.7-37.3173.200000113.2G235 V396 S401 A402G235-A398 WeakPolarHBondContact O-CB 3.38Å; G235-A398 PolarHBondContact O-N 3.27Å; V396-A398 PolarHBondContact O-N 3.32Å; V396-A398 VanDerWaalsContact O-N 3.17Å; A398-S401 PolarHBondContact O-N 2.93Å; A398-A402 WeakPolarHBondContact O-CB 3.44Å; A398-A402 PolarHBondContact O-N 2.88Å
399D90.6Very high87.8Confident5 Ų532.6 Ų32.63%0.02718%0.181CC..Hα-helixtrans-70.6-41177.3-58.7-37.3000111.2Y395 V396 S401 A402 L403 S439Y395-D399 HydrophobicContact CD1-CB 3.5Å; Y395-D399 HydrophobicContact CE1-CB 4.29Å; Y395-D399 HydrophobicContact CG-CB 4.04Å; V396-D399 PolarHBondContact N-OD2 2.65Å; V396-D399 WeakPolarHBondContact O-CA 3.48Å; V396-D399 WeakPolarHBondContact O-CB 3.39Å; V396-D399 PolarHBondContact O-N 3.38Å; D399-S401 VanDerWaalsContact C-N 3.31Å; D399-S401 PolarHBondContact O-N 2.7Å; D399-A402 CarbonylContact O-C 3.58Å; D399-A402 PolarHBondContact O-N 2.83Å; D399-L403 WeakPolarHBondContact O-CB 3.19Å; D399-L403 PolarHBondContact O-N 3.45Å; D399-S439 WeakPolarHBondContact OD1-CB 3.47Å; D399-S439 PolarHBondContact OD1-N 3.23Å; D399-S439 PolarHBondContact OD1-OG 3.49Å; D399-S439 WeakPolarHBondContact OD2-CB 3.48Å; D399-S439 PolarHBondContact OD2-N 3.46Å
400L91.3Very high88Confident0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-64-39.1175.4-63.4174.9000111.2R366 I369 L370 L373 T392 Y395 V396 G397 L403 C404R366-L400 HydrophobicContact CB-CD1 4.24Å; R366-L400 HydrophobicContact CG-CD1 4.11Å; I369-L400 HydrophobicContact CB-CD1 4.01Å; I369-L400 HydrophobicContact CD1-CD1 4.32Å; I369-L400 HydrophobicContact CG2-CB 4.26Å; I369-L400 HydrophobicContact CG2-CD1 3.73Å; L370-L400 HydrophobicContact CD1-CD2 4.37Å; L370-L400 HydrophobicContact CD2-CB 4.22Å; L370-L400 HydrophobicContact CD2-CD2 4.06Å; L370-L400 HydrophobicContact CG-CD1 4.39Å; L370-L400 HydrophobicContact CG-CD2 4.22Å; L373-L400 HydrophobicContact CD1-CB 3.96Å; T392-L400 HydrophobicContact CG2-CD2 4.03Å; Y395-L400 HydrophobicContact CD1-CD2 4.12Å; Y395-L400 HydrophobicContact CG-CD2 4.29Å; V396-L400 PolarHBondContact O-N 2.75Å; G397-L400 PolarHBondContact O-N 2.72Å; L400-L403 WeakPolarHBondContact O-CB 3.46Å; L400-L403 PolarHBondContact O-N 3.22Å; L400-C404 PolarHBondContact O-N 3.13Å; L400-C404 PolarHBondContact O-SG 3Å
401S90.8Very high88.2Confident58 Ų5831 Ų3141%0.40618%0.175SC..Hα-helixtrans-64.2-43.9172.5-177.80000111.7G397 A398 D399 L403 C404 R405G397-S401 WeakPolarHBondContact O-CB 3.3Å; G397-S401 PolarHBondContact O-N 2.91Å; A398-S401 PolarHBondContact O-N 2.93Å; D399-S401 VanDerWaalsContact C-N 3.31Å; D399-S401 PolarHBondContact O-N 2.7Å; S401-L403 VanDerWaalsContact C-N 3.33Å; S401-L403 PolarHBondContact O-N 2.72Å; S401-C404 PolarHBondContact O-N 2.96Å; S401-R405 WeakPolarHBondContact O-CB 3.39Å; S401-R405 PolarHBondContact O-N 3.19Å
402A91.6Very high88.5Confident23 Ų2330.4 Ų30.419%0.1917%0.172CC..Hα-helixtrans-62.6-39.2174.700000112.2A398 D399 R405 E406 V436A398-A402 WeakPolarHBondContact O-CB 3.44Å; A398-A402 PolarHBondContact O-N 2.88Å; D399-A402 CarbonylContact O-C 3.58Å; D399-A402 PolarHBondContact O-N 2.83Å; A402-R405 PolarHBondContact O-N 3.46Å; A402-E406 WeakPolarHBondContact O-CB 3.44Å; A402-E406 PolarHBondContact O-N 2.89Å; A402-V436 HydrophobicContact CB-CG1 4.27Å
403L92.8Very high88.6Confident0 Ų036.7 Ų36.70%020%0.195CC..Hα-helixtrans-62.5-49175.9-179.670.7000111.3T392 D399 L400 S401 R405 E406 A407 F429 A432 L433T392-L403 HydrophobicContact CG2-CD2 3.69Å; D399-L403 WeakPolarHBondContact O-CB 3.19Å; D399-L403 PolarHBondContact O-N 3.45Å; L400-L403 WeakPolarHBondContact O-CB 3.46Å; L400-L403 PolarHBondContact O-N 3.22Å; S401-L403 VanDerWaalsContact C-N 3.33Å; S401-L403 PolarHBondContact O-N 2.72Å; L403-R405 VanDerWaalsContact C-N 3.31Å; L403-R405 PolarHBondContact O-N 2.98Å; L403-E406 PolarHBondContact O-N 3.39Å; L403-A407 WeakPolarHBondContact O-CB 3.34Å; L403-A407 PolarHBondContact O-N 3.37Å; L403-F429 HydrophobicContact CD2-CD1 4.45Å; L403-F429 HydrophobicContact CG-CD1 4.26Å; L403-A432 HydrophobicContact CD1-CB 3.64Å; L403-L433 HydrophobicContact CD1-CD2 3.82Å; L403-L433 HydrophobicContact CD1-CG 3.88Å; L403-L433 HydrophobicContact CD2-CD2 4.04Å
404C91.9Very high88.8Confident7 Ų740.4 Ų40.45%0.04721%0.211CC..Hα-helixtrans-62.1-40.8177.4-65.60000111.4M377 L400 S401 A407 A408M377-C404 HydrophobicContact SD-CB 3.84Å; L400-C404 PolarHBondContact O-N 3.13Å; L400-C404 PolarHBondContact O-SG 3Å; S401-C404 PolarHBondContact O-N 2.96Å; C404-A407 PolarHBondContact O-N 3.4Å; C404-A408 WeakPolarHBondContact O-CB 3.27Å; C404-A408 PolarHBondContact O-N 2.88Å
405R91.6Very high88.7Confident173 Ų17342.2 Ų42.265%0.65322%0.219SC*.Hα-helixtrans-63.7-45.2176.2-177.8177.161.6169.9-1.6111.9S401 A402 L403 A408 M409S401-R405 WeakPolarHBondContact O-CB 3.39Å; S401-R405 PolarHBondContact O-N 3.19Å; A402-R405 PolarHBondContact O-N 3.46Å; L403-R405 VanDerWaalsContact C-N 3.31Å; L403-R405 PolarHBondContact O-N 2.98Å; R405-A408 PolarHBondContact O-N 3.17Å; R405-M409 WeakPolarHBondContact O-CG 3.38Å; R405-M409 PolarHBondContact O-N 3.01Å
406E92.2Very high88Confident38 Ų3847.5 Ų47.518%0.17825%0.252CS..Hα-helixtrans-69.2-37.3179.5-165.360.6-150.300111.2A402 L403 A408 M409 H410 R413 A432 L435 V436A402-E406 WeakPolarHBondContact O-CB 3.44Å; A402-E406 PolarHBondContact O-N 2.89Å; L403-E406 PolarHBondContact O-N 3.39Å; E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 3.02Å; E406-M409 CarbonylContact O-C 3.47Å; E406-M409 WeakPolarHBondContact O-CB 3.44Å; E406-M409 PolarHBondContact O-N 2.96Å; E406-M409 VanDerWaalsContact O-N 3.11Å; E406-H410 PolarHBondContact O-CD2 3.1Å; E406-H410 PolarHBondContact O-N 3.1Å; E406-H410 IonicContact OE1-CD2 3.15Å; E406-H410 IonicContact OE1-NE2 3.68Å; E406-R413 IonicContact OE1-CZ 2.95Å; E406-R413 IonicContact OE1-NH1 2.97Å; E406-R413 PolarHBondContact OE1-NH1 3.24Å; E406-R413 IonicContact OE1-NH2 3.29Å; E406-A432 HydrophobicContact CB-CB 3.99Å; E406-A432 HydrophobicContact CG-CB 4.19Å; E406-L435 HydrophobicContact CG-CD1 4.04Å; E406-V436 HydrophobicContact CB-CG2 4.24Å
407A91.8Very high87Confident0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-59.2-43.2172.100000111.6L403 C404 M409 H410 A411 V424 H428 F429 A432L403-A407 WeakPolarHBondContact O-CB 3.34Å; L403-A407 PolarHBondContact O-N 3.37Å; C404-A407 PolarHBondContact O-N 3.4Å; A407-M409 VanDerWaalsContact C-N 3.35Å; A407-M409 PolarHBondContact O-N 3.37Å; A407-H410 PolarHBondContact O-N 3.49Å; A407-A411 PolarHBondContact O-N 2.93Å; A407-V424 HydrophobicContact CB-CG1 4Å; A407-H428 HydrophobicContact CB-CB 4.2Å; A407-H428 WeakPolarHBondContact O-CB 3.24Å; A407-F429 HydrophobicContact CB-CD1 3.73Å; A407-F429 HydrophobicContact CB-CD2 4.34Å; A407-F429 HydrophobicContact CB-CE1 3.8Å; A407-F429 HydrophobicContact CB-CE2 4.4Å; A407-F429 HydrophobicContact CB-CG 4.02Å; A407-F429 HydrophobicContact CB-CZ 4.15Å; A407-A432 HydrophobicContact CB-CB 4.21Å
408A90.6Very high85.5Confident38 Ų3857.6 Ų57.631%0.31430%0.302SS..Hα-helixtrans-63.8-38.1173.600000112.5C404 R405 E406 A411 L412 V424C404-A408 WeakPolarHBondContact O-CB 3.27Å; C404-A408 PolarHBondContact O-N 2.88Å; R405-A408 PolarHBondContact O-N 3.17Å; E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 3.02Å; A408-A411 PolarHBondContact O-N 2.91Å; A408-L412 WeakPolarHBondContact O-CB 3.5Å; A408-L412 PolarHBondContact O-N 3.34Å; A408-V424 HydrophobicContact CB-CG2 4.44Å
409M90.2Very high84Confident78 Ų7862 Ų6238%0.38433%0.33SS..Hα-helixtrans-66.6-37.2174.9-71.1-64.6-6900112.3R405 E406 A407 L412 R413R405-M409 WeakPolarHBondContact O-CG 3.38Å; R405-M409 PolarHBondContact O-N 3.01Å; E406-M409 CarbonylContact O-C 3.47Å; E406-M409 WeakPolarHBondContact O-CB 3.44Å; E406-M409 PolarHBondContact O-N 2.96Å; E406-M409 VanDerWaalsContact O-N 3.11Å; A407-M409 VanDerWaalsContact C-N 3.35Å; A407-M409 PolarHBondContact O-N 3.37Å; M409-L412 PolarHBondContact O-N 2.83Å; M409-L412 HydrophobicContact SD-CD2 4.47Å; M409-R413 WeakPolarHBondContact O-CB 3.47Å; M409-R413 VanDerWaalsContact O-CG 3.29Å; M409-R413 WeakPolarHBondContact O-CG 3.41Å; M409-R413 PolarHBondContact O-N 2.9Å
410H89.8Confident82.4Confident30 Ų3064 Ų6414%0.13935%0.351CS..Hα-helixtrans-65.3-44.5173-79.6-69.9000111.7E406 A407 L412 R413 E414 H428 L435E406-H410 PolarHBondContact O-CD2 3.1Å; E406-H410 PolarHBondContact O-N 3.1Å; E406-H410 IonicContact OE1-CD2 3.15Å; E406-H410 IonicContact OE1-NE2 3.68Å; A407-H410 PolarHBondContact O-N 3.49Å; H410-L412 VanDerWaalsContact C-N 3.27Å; H410-L412 PolarHBondContact O-N 3.48Å; H410-R413 PolarHBondContact O-N 2.75Å; H410-E414 PolarHBondContact O-N 3.46Å; H410-H428 HydrophobicContact CB-CB 4.12Å; H410-L435 WeakPolarHBondContact NE2-CD1 3.47Å
411A88.8Confident81.1Confident4 Ų472.1 Ų72.13%0.03339%0.389CS..Hα-helixtrans-57.7-42.6173.200000111.5A407 A408 E414 N415 V424 H428A407-A411 PolarHBondContact O-N 2.93Å; A408-A411 PolarHBondContact O-N 2.91Å; A411-E414 PolarHBondContact O-N 2.89Å; A411-N415 VanDerWaalsContact O-CG 3.31Å; A411-N415 PolarHBondContact O-N 2.92Å; A411-N415 VanDerWaalsContact O-N 3.07Å; A411-N415 PolarHBondContact O-ND2 2.88Å; A411-V424 HydrophobicContact CB-CG2 3.94Å; A411-H428 WeakPolarHBondContact CB-ND1 3.26Å
412L88.1Confident80.1Confident74 Ų7475.6 Ų75.639%0.38740%0.399SS..Hα-helixtrans-64.5-45.1176.4-17563.4000112.1A408 M409 H410 E414 N415 V416A408-L412 WeakPolarHBondContact O-CB 3.5Å; A408-L412 PolarHBondContact O-N 3.34Å; M409-L412 PolarHBondContact O-N 2.83Å; M409-L412 HydrophobicContact SD-CD2 4.47Å; H410-L412 VanDerWaalsContact C-N 3.27Å; H410-L412 PolarHBondContact O-N 3.48Å; L412-E414 VanDerWaalsContact C-N 3.3Å; L412-E414 PolarHBondContact O-N 2.91Å; L412-N415 PolarHBondContact O-N 3.11Å; L412-V416 WeakPolarHBondContact O-CG2 3.46Å; L412-V416 PolarHBondContact O-N 2.78Å
413R85.9Confident79.8Confident132 Ų13276.1 Ų76.150%0.49840%0.4SS..Hα-helixtrans-62.6-35.4178.4-75.8173.7-179.4145.52.1112.5E406 M409 H410E406-R413 IonicContact OE1-CZ 2.95Å; E406-R413 IonicContact OE1-NH1 2.97Å; E406-R413 PolarHBondContact OE1-NH1 3.24Å; E406-R413 IonicContact OE1-NH2 3.29Å; M409-R413 WeakPolarHBondContact O-CB 3.47Å; M409-R413 VanDerWaalsContact O-CG 3.29Å; M409-R413 WeakPolarHBondContact O-CG 3.41Å; M409-R413 PolarHBondContact O-N 2.9Å; H410-R413 PolarHBondContact O-N 2.75Å
414E82.2Confident79.6Confident105 Ų10576.3 Ų76.349%0.49140%0.401SS..Hα-helixtrans-68.6-41.3173.8-74.5-174.3-17800111.6H410 A411 L412 V416 K417 H428H410-E414 PolarHBondContact O-N 3.46Å; A411-E414 PolarHBondContact O-N 2.89Å; L412-E414 VanDerWaalsContact C-N 3.3Å; L412-E414 PolarHBondContact O-N 2.91Å; E414-V416 PolarHBondContact O-N 3.37Å; E414-K417 WeakPolarHBondContact O-CB 3.4Å; E414-K417 PolarHBondContact O-N 3.31Å; E414-H428 VanDerWaalsContact CD-NE2 3.3Å; E414-H428 IonicContact OE1-CD2 2.75Å; E414-H428 IonicContact OE1-NE2 3.52Å; E414-H428 IonicContact OE2-CD2 3.88Å; E414-H428 IonicContact OE2-CE1 3.32Å; E414-H428 IonicContact OE2-NE2 2.68Å; E414-H428 PolarHBondContact OE2-NE2 3Å
415N73.6Confident79.5Confident44 Ų4477.4 Ų77.424%0.23541%0.406CS..Hα-helixtrans-71.8-22.4178.9-71.3-25.5000114.2A411 L412 K417 G418 Q422A411-N415 VanDerWaalsContact O-CG 3.31Å; A411-N415 PolarHBondContact O-N 2.92Å; A411-N415 VanDerWaalsContact O-N 3.07Å; A411-N415 PolarHBondContact O-ND2 2.88Å; L412-N415 PolarHBondContact O-N 3.11Å; N415-K417 PolarHBondContact O-N 3.28Å; N415-K417 VanDerWaalsContact O-N 3.09Å; N415-G418 CarbonylContact C-O 3.58Å; N415-G418 CarbonylContact O-C 3.59Å; N415-G418 PolarHBondContact O-N 2.99Å; N415-Q422 WeakPolarHBondContact ND2-CA 3.28Å
416V70.5Confident79.4Confident123 Ų12370.8 Ų70.875%0.74538%0.383SS*.THydrogen-bonded Turntrans-59.6-22.3168.6174.60000111.2L412 E414L412-V416 WeakPolarHBondContact O-CG2 3.46Å; L412-V416 PolarHBondContact O-N 2.78Å; E414-V416 PolarHBondContact O-N 3.37Å
417K66.4Low79.2Confident194 Ų19475.9 Ų75.984%0.84341%0.405SS*.THydrogen-bonded Turntrans-92.1-6.8175.1-58-178.8-179.7178.50113.9E414 N415E414-K417 WeakPolarHBondContact O-CB 3.4Å; E414-K417 PolarHBondContact O-N 3.31Å; N415-K417 PolarHBondContact O-N 3.28Å; N415-K417 VanDerWaalsContact O-N 3.09Å
418G56.6Low79.2Confident37 Ų3776.1 Ų76.138%0.38141%0.406SS..SBendtrans-157135.9-179.500000113.8N415 G420N415-G418 CarbonylContact C-O 3.58Å; N415-G418 CarbonylContact O-C 3.59Å; N415-G418 PolarHBondContact O-N 2.99Å; G418-G420 PolarHBondContact O-N 3.22Å
419S56.6Low79.2Confident139 Ų13974.3 Ų74.397%0.97239%0.391SS*.  trans-73.342.3-177.564.70000114.5
420G57.7Low79.2Confident46 Ų4675.9 Ų75.947%0.47440%0.397SS..  trans-96.8162.4-177.700000114G418G418-G420 PolarHBondContact O-N 3.22Å
421E63.7Low79.1Confident172 Ų17278.2 Ų78.280%0.80441%0.408SS*.  trans-55.8136175.9-67.8179.4162.400111.9V423E421-V423 VanDerWaalsContact C-N 3.28Å; E421-V423 HydrophobicContact CB-CG2 4.1Å; E421-V423 PolarHBondContact O-N 2.89Å
422Q70.3Confident79.2Confident130 Ų13078 Ų7861%0.60741%0.407SS*.  trans-77.773.2-177.5-63.4-178-400111.5P378 N415P378-Q422 WeakPolarHBondContact CB-O 3.2Å; P378-Q422 WeakPolarHBondContact CG-O 3.42Å; N415-Q422 WeakPolarHBondContact ND2-CA 3.28Å
423V84.4Confident79.2Confident34 Ų3476.3 Ų76.321%0.20640%0.398CS..  trans-111.2134.3178.6-169.40000110.5P378 R380 E421P378-V423 WeakPolarHBondContact O-CA 3.49Å; R380-V423 HydrophobicContact CB-CG1 3.66Å; R380-V423 HydrophobicContact CG-CG1 4.43Å; E421-V423 VanDerWaalsContact C-N 3.28Å; E421-V423 HydrophobicContact CB-CG2 4.1Å; E421-V423 PolarHBondContact O-N 2.89Å
424V88.3Confident79.2Confident4 Ų477 Ų772%0.02440%0.404CS..BIsolated β-bridgetrans-85.6126.7177.8-1740000110.6M377 P378 R380 A407 A408 A411 H428 F429M377-V424 HydrophobicContact CE-CB 3.66Å; M377-V424 HydrophobicContact CE-CG1 3.71Å; M377-V424 HydrophobicContact CE-CG2 3.5Å; M377-V424 VanDerWaalsContact CE-CG2 3.5Å; P378-V424 PolarHBondContact O-N 2.79Å; R380-V424 PolarHBondContact N-O 3.29Å; R380-V424 VanDerWaalsContact N-O 3.08Å; A407-V424 HydrophobicContact CB-CG1 4Å; A408-V424 HydrophobicContact CB-CG2 4.44Å; A411-V424 HydrophobicContact CB-CG2 3.94Å; V424-H428 HydrophobicContact CG1-CB 4.04Å; V424-F429 HydrophobicContact CG1-CD2 4.11Å; V424-F429 HydrophobicContact CG1-CE2 3.61Å; V424-F429 HydrophobicContact CG1-CZ 4.19Å
425D89.7Confident79.4Confident30 Ų3077.3 Ų77.316%0.1641%0.409CS..  trans-106.2163.4178.9-84.4-35.3000112.1R380 K427 H428R380-D425 VanDerWaalsContact CD-OD1 3.31Å; R380-D425 WeakPolarHBondContact CD-OD1 3.47Å; R380-D425 IonicContact CZ-OD1 2.79Å; R380-D425 VanDerWaalsContact CZ-OD1 3.22Å; R380-D425 IonicContact CZ-OD2 3.03Å; R380-D425 IonicContact NE-OD1 3.09Å; R380-D425 PolarHBondContact NE-OD1 3.4Å; R380-D425 IonicContact NH1-OD1 2.6Å; R380-D425 PolarHBondContact NH1-OD1 2.79Å; R380-D425 IonicContact NH1-OD2 3.54Å; R380-D425 PolarHBondContact NH1-OD2 3.49Å; R380-D425 IonicContact NH2-OD2 2.88Å; D425-K427 PolarHBondContact O-N 2.76Å; D425-K427 VanDerWaalsContact O-N 3.13Å; D425-H428 PolarHBondContact N-ND1 3.41Å; D425-H428 WeakPolarHBondContact O-CB 3.33Å; D425-H428 PolarHBondContact O-N 3.22Å
426M89.1Confident79.9Confident34 Ų3475.9 Ų75.917%0.16740%0.402CS..Hα-helixtrans-57.6-29.7177-169.463.2115.400112.7V383 N384 E387 L388 H428 F429 Q430V383-M426 HydrophobicContact CG1-SD 4.18Å; V383-M426 HydrophobicContact CG2-CB 4.46Å; N384-M426 HydrophobicContact CB-CE 4.17Å; E387-M426 HydrophobicContact CB-CE 4.39Å; L388-M426 HydrophobicContact CD1-SD 4.38Å; L388-M426 HydrophobicContact CD2-CE 4.39Å; L388-M426 HydrophobicContact CD2-SD 3.77Å; L388-M426 HydrophobicContact CG-CE 4.27Å; L388-M426 HydrophobicContact CG-SD 4.06Å; M426-H428 VanDerWaalsContact C-N 3.3Å; M426-H428 PolarHBondContact O-N 3.1Å; M426-F429 PolarHBondContact O-N 3.08Å; M426-Q430 WeakPolarHBondContact O-CG 3.42Å; M426-Q430 PolarHBondContact O-N 2.99Å
427K89.6Confident80.2Confident145 Ų14571.2 Ų71.263%0.6338%0.379SS*.Hα-helixtrans-60.8-39.4176.3-61.6177.7-177.4175.40111.9D425 F429 Q430 E431D425-K427 PolarHBondContact O-N 2.76Å; D425-K427 VanDerWaalsContact O-N 3.13Å; K427-F429 VanDerWaalsContact C-N 3.33Å; K427-F429 PolarHBondContact O-N 2.78Å; K427-Q430 PolarHBondContact O-N 2.98Å; K427-E431 PolarHBondContact O-N 3.49Å
428H91Very high80.7Confident5 Ų562.4 Ų62.42%0.02334%0.341CS..Hα-helixtrans-67.7-36.6179-53141.6000111.4A407 H410 A411 E414 V424 D425 M426 E431 A432A407-H428 HydrophobicContact CB-CB 4.2Å; A407-H428 WeakPolarHBondContact O-CB 3.24Å; H410-H428 HydrophobicContact CB-CB 4.12Å; A411-H428 WeakPolarHBondContact CB-ND1 3.26Å; E414-H428 VanDerWaalsContact CD-NE2 3.3Å; E414-H428 IonicContact OE1-CD2 2.75Å; E414-H428 IonicContact OE1-NE2 3.52Å; E414-H428 IonicContact OE2-CD2 3.88Å; E414-H428 IonicContact OE2-CE1 3.32Å; E414-H428 IonicContact OE2-NE2 2.68Å; E414-H428 PolarHBondContact OE2-NE2 3Å; V424-H428 HydrophobicContact CG1-CB 4.04Å; D425-H428 PolarHBondContact N-ND1 3.41Å; D425-H428 WeakPolarHBondContact O-CB 3.33Å; D425-H428 PolarHBondContact O-N 3.22Å; M426-H428 VanDerWaalsContact C-N 3.3Å; M426-H428 PolarHBondContact O-N 3.1Å; H428-E431 PolarHBondContact O-N 2.95Å; H428-A432 VanDerWaalsContact O-CB 3.29Å; H428-A432 WeakPolarHBondContact O-CB 3.36Å; H428-A432 PolarHBondContact O-N 2.9Å
429F90.9Very high81.5Confident0 Ų062.7 Ų62.70%034%0.338CS..Hα-helixtrans-66.3-38.8173-75-77.5000112.2M377 V379 V383 L388 L403 A407 V424 M426 K427 A432 L433M377-F429 HydrophobicContact CE-CE2 4.44Å; M377-F429 HydrophobicContact CE-CZ 3.89Å; V379-F429 HydrophobicContact CG1-CE2 4.41Å; V383-F429 HydrophobicContact CG1-CD2 4.13Å; V383-F429 HydrophobicContact CG1-CE2 3.96Å; V383-F429 HydrophobicContact CG2-CE2 4.42Å; L388-F429 HydrophobicContact CD1-CB 4.5Å; L388-F429 HydrophobicContact CD1-CD1 3.97Å; L388-F429 HydrophobicContact CD1-CD2 4.14Å; L388-F429 HydrophobicContact CD1-CE1 4.18Å; L388-F429 HydrophobicContact CD1-CE2 4.34Å; L388-F429 HydrophobicContact CD1-CG 3.95Å; L388-F429 HydrophobicContact CD1-CZ 4.35Å; L388-F429 HydrophobicContact CD2-CB 3.86Å; L388-F429 HydrophobicContact CD2-CD1 4.44Å; L388-F429 HydrophobicContact CD2-CG 4.19Å; L403-F429 HydrophobicContact CD2-CD1 4.45Å; L403-F429 HydrophobicContact CG-CD1 4.26Å; A407-F429 HydrophobicContact CB-CD1 3.73Å; A407-F429 HydrophobicContact CB-CD2 4.34Å; A407-F429 HydrophobicContact CB-CE1 3.8Å; A407-F429 HydrophobicContact CB-CE2 4.4Å; A407-F429 HydrophobicContact CB-CG 4.02Å; A407-F429 HydrophobicContact CB-CZ 4.15Å; V424-F429 HydrophobicContact CG1-CD2 4.11Å; V424-F429 HydrophobicContact CG1-CE2 3.61Å; V424-F429 HydrophobicContact CG1-CZ 4.19Å; M426-F429 PolarHBondContact O-N 3.08Å; K427-F429 VanDerWaalsContact C-N 3.33Å; K427-F429 PolarHBondContact O-N 2.78Å; F429-A432 PolarHBondContact O-N 3.05Å; F429-L433 WeakPolarHBondContact O-CB 3.49Å; F429-L433 VanDerWaalsContact O-CG 3.27Å; F429-L433 WeakPolarHBondContact O-CG 3.45Å; F429-L433 PolarHBondContact O-N 3.36Å
430Q89.1Confident82Confident111 Ų11156.7 Ų56.752%0.51930%0.295SS..Hα-helixtrans-64-39.9176.2-71.1174.3-8.600112.5M426 K427M426-Q430 WeakPolarHBondContact O-CG 3.42Å; M426-Q430 PolarHBondContact O-N 2.99Å; K427-Q430 PolarHBondContact O-N 2.98Å
431E89.3Confident82.3Confident80 Ų8055.1 Ų55.137%0.37428%0.276SS..Hα-helixtrans-68.6-41173-67.9-55.7146.900111.8K427 H428 L433 K434K427-E431 PolarHBondContact O-N 3.49Å; H428-E431 PolarHBondContact O-N 2.95Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.22Å; E431-K434 WeakPolarHBondContact O-CB 3.42Å; E431-K434 PolarHBondContact O-N 2.78Å; E431-K434 VanDerWaalsContact O-N 3.13Å; E431-K434 IonicContact OE1-NZ 3.88Å; E431-K434 PolarHBondContact OE1-NZ 3.06Å; E431-K434 WeakPolarHBondContact OE2-CD 3.5Å; E431-K434 IonicContact OE2-NZ 3.96Å; E431-K434 PolarHBondContact OE2-NZ 3.05Å
432A90.9Very high82.2Confident0 Ų054.5 Ų54.50%027%0.266CS..Hα-helixtrans-62.4-36.8177.700000112.7L403 E406 A407 H428 F429 K434 L435 V436L403-A432 HydrophobicContact CD1-CB 3.64Å; E406-A432 HydrophobicContact CB-CB 3.99Å; E406-A432 HydrophobicContact CG-CB 4.19Å; A407-A432 HydrophobicContact CB-CB 4.21Å; H428-A432 VanDerWaalsContact O-CB 3.29Å; H428-A432 WeakPolarHBondContact O-CB 3.36Å; H428-A432 PolarHBondContact O-N 2.9Å; F429-A432 PolarHBondContact O-N 3.05Å; A432-K434 PolarHBondContact O-N 2.68Å; A432-L435 PolarHBondContact O-N 3.02Å; A432-L435 VanDerWaalsContact O-N 3.11Å; A432-V436 PolarHBondContact O-N 2.99Å
433L87.4Confident81.6Confident38 Ų3849.3 Ų49.320%0.19925%0.248CC..Hα-helixtrans-62.9-24.9176.2-77.6168.8000113.3I391 T392 Y395 L403 F429 E431 L435I391-L433 HydrophobicContact CG2-CD1 3.85Å; I391-L433 HydrophobicContact CG2-CD2 4.45Å; T392-L433 HydrophobicContact CG2-CD2 3.89Å; Y395-L433 HydrophobicContact CE1-CD2 4.49Å; Y395-L433 WeakPolarHBondContact OH-CD2 3.27Å; L403-L433 HydrophobicContact CD1-CD2 3.82Å; L403-L433 HydrophobicContact CD1-CG 3.88Å; L403-L433 HydrophobicContact CD2-CD2 4.04Å; F429-L433 WeakPolarHBondContact O-CB 3.49Å; F429-L433 VanDerWaalsContact O-CG 3.27Å; F429-L433 WeakPolarHBondContact O-CG 3.45Å; F429-L433 PolarHBondContact O-N 3.36Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.22Å; L433-L435 VanDerWaalsContact C-N 3.34Å
434K86.2Confident80Confident145 Ų14553.3 Ų53.363%0.6328%0.277SS*.Hα-helixtrans-73.8-28.4175.6-62.7170.7-173.1168.50112.1E431 A432E431-K434 WeakPolarHBondContact O-CB 3.42Å; E431-K434 PolarHBondContact O-N 2.78Å; E431-K434 VanDerWaalsContact O-N 3.13Å; E431-K434 IonicContact OE1-NZ 3.88Å; E431-K434 PolarHBondContact OE1-NZ 3.06Å; E431-K434 WeakPolarHBondContact OE2-CD 3.5Å; E431-K434 IonicContact OE2-NZ 3.96Å; E431-K434 PolarHBondContact OE2-NZ 3.05Å; A432-K434 PolarHBondContact O-N 2.68Å
435L85.7Confident78.2Confident112 Ų11255.5 Ų55.559%0.58629%0.289SS*.Hα-helixtrans-94.3-42.3-176.5-65.6176.1000112.4E406 H410 A432 L433 G437E406-L435 HydrophobicContact CG-CD1 4.04Å; H410-L435 WeakPolarHBondContact NE2-CD1 3.47Å; A432-L435 PolarHBondContact O-N 3.02Å; A432-L435 VanDerWaalsContact O-N 3.11Å; L433-L435 VanDerWaalsContact C-N 3.34Å; L435-G437 PolarHBondContact O-N 3.28Å
436V84.9Confident76.3Confident14 Ų1454.7 Ų54.79%0.08529%0.287CS..  trans-89.2109.6-176.7-1770000108.8Y395 A402 E406 A432Y395-V436 HydrophobicContact CE1-CG1 4.06Å; Y395-V436 PolarHBondContact OH-O 2.88Å; A402-V436 HydrophobicContact CB-CG1 4.27Å; E406-V436 HydrophobicContact CB-CG2 4.24Å; A432-V436 PolarHBondContact O-N 2.99Å
437G77.2Confident74.5Confident26 Ų2662.5 Ų62.527%0.26832%0.315SS..  trans-92.9155.7168.800000112.5L435 S439 R442L435-G437 PolarHBondContact O-N 3.28Å; G437-S439 PolarHBondContact O-N 3.24Å; G437-R442 PolarHBondContact O-NE 3.13Å; G437-R442 PolarHBondContact O-NH2 3.22Å
438P77.1Confident72.6Confident9 Ų957.1 Ų57.16%0.05829%0.294CS..  trans-64.3129.5178.425.9-34.4000112.5G394 Y395 L441 L450G394-P438 WeakPolarHBondContact O-CB 3.33Å; Y395-P438 HydrophobicContact CD2-CB 3.84Å; Y395-P438 HydrophobicContact CD2-CG 4.49Å; Y395-P438 HydrophobicContact CE2-CB 4.04Å; Y395-P438 HydrophobicContact CE2-CG 4.26Å; Y395-P438 HydrophobicContact CG-CB 4.47Å; P438-L441 HydrophobicContact CB-CD1 4.17Å; P438-L441 HydrophobicContact CB-CG 4.15Å; P438-L441 HydrophobicContact CG-CB 4.13Å; P438-L441 HydrophobicContact CG-CD1 3.44Å; P438-L441 VanDerWaalsContact CG-CD1 3.44Å; P438-L441 HydrophobicContact CG-CG 3.82Å; P438-L441 PolarHBondContact O-N 3.45Å; P438-L450 HydrophobicContact CG-CD1 4.35Å
439S73.3Confident70.6Confident43 Ų4362.7 Ų62.730%0.30132%0.32SS..G310 helixtrans-73.4-29.2-177.5-70.90000113.4D399 G437 L441 R442D399-S439 WeakPolarHBondContact OD1-CB 3.47Å; D399-S439 PolarHBondContact OD1-N 3.23Å; D399-S439 PolarHBondContact OD1-OG 3.49Å; D399-S439 WeakPolarHBondContact OD2-CB 3.48Å; D399-S439 PolarHBondContact OD2-N 3.46Å; G437-S439 PolarHBondContact O-N 3.24Å; S439-L441 PolarHBondContact O-N 2.99Å; S439-R442 PolarHBondContact O-N 2.86Å
440C66Low68.9Low12 Ų1267 Ų678%0.08134%0.343CS..G310 helixtrans-57.1-28.3172.7-88.70000113V396 C548V396-C440 HydrophobicContact CG2-CB 4.18Å; V396-C440 WeakPolarHBondContact CG2-SG 3.43Å; C440-C548 VanDerWaalsContact CB-SG 3.59Å
441L64.6Low67.4Low14 Ų1464.7 Ų64.77%0.07334%0.339CS..G310 helixtrans-99.3-4.9-177-47-178.9000113.1P438 S439 G443 T448 L519P438-L441 HydrophobicContact CB-CD1 4.17Å; P438-L441 HydrophobicContact CB-CG 4.15Å; P438-L441 HydrophobicContact CG-CB 4.13Å; P438-L441 HydrophobicContact CG-CD1 3.44Å; P438-L441 VanDerWaalsContact CG-CD1 3.44Å; P438-L441 HydrophobicContact CG-CG 3.82Å; P438-L441 PolarHBondContact O-N 3.45Å; S439-L441 PolarHBondContact O-N 2.99Å; L441-G443 PolarHBondContact O-N 3.18Å; L441-G443 VanDerWaalsContact O-N 3.09Å; L441-T448 HydrophobicContact CD1-CG2 4.21Å; L441-L519 HydrophobicContact CD2-CD2 3.47Å; L441-L519 VanDerWaalsContact CD2-CD2 3.47Å; L441-L519 HydrophobicContact CD2-CG 4.17Å
442R62.2Low66.4Low158 Ų15865.4 Ų65.460%0.59635%0.351SS*.  trans-7821.4179.2-70.2-173.9-152.6169.77114.3G437 S439G437-R442 PolarHBondContact O-NE 3.13Å; G437-R442 PolarHBondContact O-NH2 3.22Å; S439-R442 PolarHBondContact O-N 2.86Å
443G57.7Low65.9Low22 Ų2266.3 Ų66.323%0.22736%0.356CS..SBendtrans-64.3153.9171.500000111.5L441 L445L441-G443 PolarHBondContact O-N 3.18Å; L441-G443 VanDerWaalsContact O-N 3.09Å; G443-L445 PolarHBondContact O-N 2.95Å
444S49.4Very low65.8Low117 Ų11769 Ų6982%0.81837%0.37SS*.SBendtrans-67.4-6.6-17874.40000114.4
445L51.3Low65.7Low50 Ų5063.6 Ų63.626%0.26235%0.346SS..SBendtrans-133113.8175.4-73.4101.2000109.1G443 D525 L526 A537G443-L445 PolarHBondContact O-N 2.95Å; L445-D525 WeakPolarHBondContact CD2-O 3.34Å; L445-L526 HydrophobicContact CD2-CD2 4.09Å; L445-A537 HydrophobicContact CD1-CB 4.12Å; L445-A537 HydrophobicContact CD2-CB 4.02Å
446G49.7Very low65.6Low13 Ų1365.6 Ų65.613%0.13435%0.352CS..  trans130.677.3-17800000111.7T448G446-T448 PolarHBondContact O-N 3.39Å; G446-T448 VanDerWaalsContact O-N 3.15Å
447R50.3Low65.6Low199 Ų19969.8 Ų69.875%0.75137%0.371SS*.  trans-67112.1165.4-79.8-178.6172.8173.6-0.9107.7S520R447-S520 PolarHBondContact O-OG 3.45Å
448T51Low65.9Low32 Ų3269.3 Ų69.320%0.19636%0.362CS..  trans-99.989.4165.644.20000107.8L441 G446 L450 F518 L519L441-T448 HydrophobicContact CD1-CG2 4.21Å; G446-T448 PolarHBondContact O-N 3.39Å; G446-T448 VanDerWaalsContact O-N 3.15Å; T448-L450 PolarHBondContact O-N 3.29Å; T448-F518 WeakPolarHBondContact CG2-O 3.42Å; T448-L519 HydrophobicContact CG2-CD2 4.23Å
449E49.2Very low66.1Low121 Ų12169.4 Ų69.457%0.56537%0.365SS*.  trans-69.492.6160.6-71.9176.7178.400107S451 K508E449-S451 PolarHBondContact O-N 3.32Å; E449-K508 IonicContact OE2-NZ 2.76Å
450L53.8Low66.7Low90 Ų9068 Ų6847%0.47136%0.357SS..  trans-74.760.3170.9-64.4171.5000109.6P438 T448 P452P438-L450 HydrophobicContact CG-CD1 4.35Å; T448-L450 PolarHBondContact O-N 3.29Å; L450-P452 WeakPolarHBondContact O-CD 3.49Å
451S59Low67.6Low64 Ų6468.9 Ų68.945%0.44836%0.361SS..  trans-83.9104157.150.90000107.1E449 V453E449-S451 PolarHBondContact O-N 3.32Å; S451-V453 PolarHBondContact O-N 3.17Å; S451-V453 VanDerWaalsContact O-N 3.1Å
452P68.8Low68.7Low95 Ų9573.6 Ų73.662%0.61738%0.382SS*.PPolyproline II helixtrans-63.1117.7177.125.9-33.2000108.6L450 T512L450-P452 WeakPolarHBondContact O-CD 3.49Å; P452-T512 HydrophobicContact CB-CG2 3.77Å
453V80Confident70Confident18 Ų1873.3 Ų73.311%0.10939%0.388CS..PPolyproline II helixtrans-101.2127.8176.4-179.60000108.2S451 Q457 I458 K508 A509 T512S451-V453 PolarHBondContact O-N 3.17Å; S451-V453 VanDerWaalsContact O-N 3.1Å; V453-Q457 VanDerWaalsContact CA-OE1 3.32Å; V453-Q457 HydrophobicContact CG1-CB 4.2Å; V453-I458 HydrophobicContact CG1-CD1 4.36Å; V453-I458 HydrophobicContact CG1-CG1 4.32Å; V453-K508 HydrophobicContact CG2-CB 4.45Å; V453-A509 HydrophobicContact CB-CB 4.37Å; V453-A509 HydrophobicContact CG1-CB 4.1Å; V453-A509 WeakPolarHBondContact O-CA 3.41Å; V453-T512 WeakPolarHBondContact O-CB 3.44Å
454L84.6Confident71.5Confident96 Ų9672.6 Ų72.650%0.50338%0.379SS..PPolyproline II helixtrans-91.5153.3175.2-64.4174.3000110.5E456 Q457L454-E456 PolarHBondContact O-N 2.98Å; L454-E456 VanDerWaalsContact O-N 3.09Å; L454-Q457 WeakPolarHBondContact O-CB 3.3Å; L454-Q457 PolarHBondContact O-N 2.93Å
455W85.1Confident73.5Confident31 Ų3167.5 Ų67.512%0.11734%0.342CS..G310 helixtrans-56-27.7174.5-70.8113.4000113.3Q457 I458 K465 L468 R469 L506 A509 A510 S513W455-Q457 VanDerWaalsContact C-N 3.26Å; W455-Q457 PolarHBondContact O-N 2.92Å; W455-I458 PolarHBondContact O-N 3.46Å; W455-K465 HydrophobicContact CE3-CB 4.33Å; W455-K465 HydrophobicContact CE3-CD 4.04Å; W455-K465 HydrophobicContact CE3-CG 3.82Å; W455-K465 HydrophobicContact CZ3-CB 4.05Å; W455-K465 HydrophobicContact CZ3-CD 4.41Å; W455-K465 HydrophobicContact CZ3-CG 3.68Å; W455-L468 HydrophobicContact CH2-CB 4.25Å; W455-R469 HydrophobicContact CZ2-CG 4Å; W455-L506 HydrophobicContact CZ3-CD2 4.07Å; W455-A509 HydrophobicContact CD2-CB 4.29Å; W455-A509 HydrophobicContact CE3-CB 4.11Å; W455-A509 HydrophobicContact CZ3-CB 4.32Å; W455-A510 HydrophobicContact CH2-CB 3.9Å; W455-A510 HydrophobicContact CZ2-CB 3.87Å; W455-S513 VanDerWaalsContact NE1-CB 3.28Å; W455-S513 PolarHBondContact NE1-OG 3.43Å
456E83.4Confident75.4Confident153 Ų15367.1 Ų67.172%0.71535%0.346SS*.G310 helixtrans-69.4-22.7178.1-60.9180-172.300113.4L454 I458L454-E456 PolarHBondContact O-N 2.98Å; L454-E456 VanDerWaalsContact O-N 3.09Å; E456-I458 PolarHBondContact O-N 3.25Å
457Q83.1Confident77.3Confident103 Ų10371.5 Ų71.548%0.48136%0.362SS..G310 helixtrans-82.4-0.9175.8-64173.4-2000112V453 L454 W455 V669V453-Q457 VanDerWaalsContact CA-OE1 3.32Å; V453-Q457 HydrophobicContact CG1-CB 4.2Å; L454-Q457 WeakPolarHBondContact O-CB 3.3Å; L454-Q457 PolarHBondContact O-N 2.93Å; W455-Q457 VanDerWaalsContact C-N 3.26Å; W455-Q457 PolarHBondContact O-N 2.92Å; Q457-V669 WeakPolarHBondContact O-CG1 3.47Å
458I84.8Confident79.1Confident15 Ų1562 Ų628%0.07733%0.326CS..SBendtrans-114.1110.1178.2-54.9179.1000108.6V453 W455 E456 K465 L506 A509V453-I458 HydrophobicContact CG1-CD1 4.36Å; V453-I458 HydrophobicContact CG1-CG1 4.32Å; W455-I458 PolarHBondContact O-N 3.46Å; E456-I458 PolarHBondContact O-N 3.25Å; I458-K465 WeakPolarHBondContact O-CE 3.49Å; I458-K465 PolarHBondContact O-NZ 3.43Å; I458-L506 HydrophobicContact CD1-CD2 3.98Å; I458-L506 HydrophobicContact CD1-CG 4.35Å; I458-L506 HydrophobicContact CG2-CD2 3.97Å; I458-A509 HydrophobicContact CD1-CB 3.54Å
459G81.3Confident81Confident11 Ų1165 Ų6511%0.11333%0.334CS..  trans-76.7131.1176.900000112.7
460G86.1Confident82.8Confident13 Ų1363.6 Ų63.613%0.13433%0.327CS..SBendtrans75.2-159.9174.500000115.4E462 K465G460-E462 PolarHBondContact O-N 3.22Å; G460-K465 WeakPolarHBondContact O-CE 3.41Å; G460-K465 PolarHBondContact O-NZ 2.99Å
461L85.1Confident84.3Confident31 Ų3159.7 Ų59.716%0.16231%0.307CS..  trans5938.4177.1-61.2172.2000115.1E463 V464 K465 L506 V655 P656L461-E463 VanDerWaalsContact C-N 3.3Å; L461-E463 PolarHBondContact O-N 2.94Å; L461-V464 HydrophobicContact CB-CB 4.25Å; L461-V464 HydrophobicContact CB-CG2 4.43Å; L461-V464 HydrophobicContact CD2-CG2 4.32Å; L461-V464 PolarHBondContact O-N 3.31Å; L461-V464 VanDerWaalsContact O-N 3.07Å; L461-K465 WeakPolarHBondContact O-CG 3.25Å; L461-K465 PolarHBondContact O-N 3.49Å; L461-L506 HydrophobicContact CD1-CD1 4.13Å; L461-V655 HydrophobicContact CD1-CG1 3.99Å; L461-P656 HydrophobicContact CD2-CG 3.74Å
462E87.2Confident85.5Confident113 Ų11356.8 Ų56.853%0.52829%0.287SS..Hα-helixtrans-60.3-35.1-174.3-64.5-53138.200113.8G460 K465 A466G460-E462 PolarHBondContact O-N 3.22Å; E462-K465 PolarHBondContact O-N 3.35Å; E462-K465 IonicContact OE1-NZ 2.99Å; E462-K465 PolarHBondContact OE1-NZ 3.38Å; E462-A466 WeakPolarHBondContact O-CB 3.35Å; E462-A466 PolarHBondContact O-N 3.18Å
463E89.1Confident86.3Confident152 Ų15253.5 Ų53.571%0.7126%0.263SS*.Hα-helixtrans-64.5-41.2175-63.3-173.4178.300112.6L461 A466 K467L461-E463 VanDerWaalsContact C-N 3.3Å; L461-E463 PolarHBondContact O-N 2.94Å; E463-A466 PolarHBondContact O-N 2.96Å; E463-K467 WeakPolarHBondContact O-CG 3.43Å; E463-K467 PolarHBondContact O-N 3.4Å
464V89.9Confident86.5Confident7 Ų758.5 Ų58.54%0.04228%0.28CS..Hα-helixtrans-69.2-42.6178.6-179.60000109.9L461 A466 K467 L468 L506 I653 V655L461-V464 HydrophobicContact CB-CB 4.25Å; L461-V464 HydrophobicContact CB-CG2 4.43Å; L461-V464 HydrophobicContact CD2-CG2 4.32Å; L461-V464 PolarHBondContact O-N 3.31Å; L461-V464 VanDerWaalsContact O-N 3.07Å; V464-A466 VanDerWaalsContact C-N 3.33Å; V464-A466 PolarHBondContact O-N 3.32Å; V464-K467 PolarHBondContact O-N 3.33Å; V464-L468 HydrophobicContact CG1-CD1 4.12Å; V464-L468 WeakPolarHBondContact O-CB 3.38Å; V464-L468 WeakPolarHBondContact O-CG 3.24Å; V464-L468 PolarHBondContact O-N 2.96Å; V464-L506 HydrophobicContact CG1-CD1 4.06Å; V464-I653 HydrophobicContact CG1-CG2 3.9Å; V464-V655 HydrophobicContact CG1-CG2 4.17Å
465K90.6Very high86.4Confident10 Ų1054.2 Ų54.24%0.04326%0.258CS..Hα-helixtrans-58.9-45174.3-67.9178179.71680111.2W455 I458 G460 L461 E462 L468 R469 L506W455-K465 HydrophobicContact CE3-CB 4.33Å; W455-K465 HydrophobicContact CE3-CD 4.04Å; W455-K465 HydrophobicContact CE3-CG 3.82Å; W455-K465 HydrophobicContact CZ3-CB 4.05Å; W455-K465 HydrophobicContact CZ3-CD 4.41Å; W455-K465 HydrophobicContact CZ3-CG 3.68Å; I458-K465 WeakPolarHBondContact O-CE 3.49Å; I458-K465 PolarHBondContact O-NZ 3.43Å; G460-K465 WeakPolarHBondContact O-CE 3.41Å; G460-K465 PolarHBondContact O-NZ 2.99Å; L461-K465 WeakPolarHBondContact O-CG 3.25Å; L461-K465 PolarHBondContact O-N 3.49Å; E462-K465 PolarHBondContact O-N 3.35Å; E462-K465 IonicContact OE1-NZ 2.99Å; E462-K465 PolarHBondContact OE1-NZ 3.38Å; K465-L468 PolarHBondContact O-N 3.1Å; K465-R469 WeakPolarHBondContact O-CG 3.43Å; K465-R469 PolarHBondContact O-N 3.05Å; K465-L506 HydrophobicContact CG-CD2 4.24Å
466A90.7Very high86Confident43 Ų4354.9 Ų54.936%0.35526%0.263SS..Hα-helixtrans-60.2-50.3176.900000111E462 E463 V464 L468 R469 Q470E462-A466 WeakPolarHBondContact O-CB 3.35Å; E462-A466 PolarHBondContact O-N 3.18Å; E463-A466 PolarHBondContact O-N 2.96Å; V464-A466 VanDerWaalsContact C-N 3.33Å; V464-A466 PolarHBondContact O-N 3.32Å; A466-L468 VanDerWaalsContact C-N 3.35Å; A466-L468 PolarHBondContact O-N 3.48Å; A466-R469 PolarHBondContact O-N 2.7Å; A466-Q470 VanDerWaalsContact O-CG 3.26Å; A466-Q470 WeakPolarHBondContact O-CG 3.34Å; A466-Q470 PolarHBondContact O-N 3.48Å
467K90.3Very high85.9Confident105 Ų10553.5 Ų53.546%0.45725%0.252SS..Hα-helixtrans-58.9-43177.1-73176.3-179.3173.80112.5E463 V464 Q470 S471 I653E463-K467 WeakPolarHBondContact O-CG 3.43Å; E463-K467 PolarHBondContact O-N 3.4Å; V464-K467 PolarHBondContact O-N 3.33Å; K467-Q470 WeakPolarHBondContact O-CB 3.44Å; K467-Q470 PolarHBondContact O-N 3.09Å; K467-S471 PolarHBondContact O-N 3.12Å; K467-S471 PolarHBondContact O-OG 3.17Å; K467-S471 VanDerWaalsContact O-OG 3.1Å; K467-I653 HydrophobicContact CB-CD1 3.98Å
468L89.1Confident85.8Confident0 Ų053.8 Ų53.80%025%0.253CS..Hα-helixtrans-65.1-39.3177.1-76.4173.1000112.8W455 V464 K465 A466 Q470 S471 I472 V493 L495 L506 I653W455-L468 HydrophobicContact CH2-CB 4.25Å; V464-L468 HydrophobicContact CG1-CD1 4.12Å; V464-L468 WeakPolarHBondContact O-CB 3.38Å; V464-L468 WeakPolarHBondContact O-CG 3.24Å; V464-L468 PolarHBondContact O-N 2.96Å; K465-L468 PolarHBondContact O-N 3.1Å; A466-L468 VanDerWaalsContact C-N 3.35Å; A466-L468 PolarHBondContact O-N 3.48Å; L468-Q470 VanDerWaalsContact C-N 3.31Å; L468-Q470 PolarHBondContact O-N 3.37Å; L468-S471 PolarHBondContact O-N 3.46Å; L468-I472 HydrophobicContact CD2-CD1 4.01Å; L468-I472 WeakPolarHBondContact O-CB 3.47Å; L468-I472 PolarHBondContact O-N 3Å; L468-V493 HydrophobicContact CD2-CG1 4.28Å; L468-L495 HydrophobicContact CD2-CD2 3.95Å; L468-L506 HydrophobicContact CD1-CB 3.98Å; L468-L506 HydrophobicContact CD1-CD2 4.43Å; L468-I653 HydrophobicContact CD2-CD1 3.84Å; L468-I653 HydrophobicContact CG-CD1 4.18Å
469R89.6Confident85.3Confident94 Ų9454.2 Ų54.236%0.35526%0.256SS..Iπ-helixtrans-60.7-42.7172.4-72.8178.1-1781620.8111.1W455 K465 A466 E473 W474W455-R469 HydrophobicContact CZ2-CG 4Å; K465-R469 WeakPolarHBondContact O-CG 3.43Å; K465-R469 PolarHBondContact O-N 3.05Å; A466-R469 PolarHBondContact O-N 2.7Å; R469-E473 HydrophobicContact CB-CB 4.5Å; R469-E473 WeakPolarHBondContact O-CA 3.2Å; R469-E473 VanDerWaalsContact O-CB 3.24Å; R469-E473 WeakPolarHBondContact O-CB 3.47Å; R469-E473 PolarHBondContact O-N 3.07Å; R469-W474 PolarHBondContact O-N 2.89Å; R469-W474 VanDerWaalsContact O-N 3.1Å
470Q87.8Confident85.2Confident91 Ų9159.7 Ų59.743%0.42528%0.279SS..Iπ-helixtrans-64-41.7177.4-65.6-179.4-900112.5A466 K467 L468 W474A466-Q470 VanDerWaalsContact O-CG 3.26Å; A466-Q470 WeakPolarHBondContact O-CG 3.34Å; A466-Q470 PolarHBondContact O-N 3.48Å; K467-Q470 WeakPolarHBondContact O-CB 3.44Å; K467-Q470 PolarHBondContact O-N 3.09Å; L468-Q470 VanDerWaalsContact C-N 3.31Å; L468-Q470 PolarHBondContact O-N 3.37Å; Q470-W474 HydrophobicContact CB-CD2 4.19Å; Q470-W474 HydrophobicContact CB-CE3 3.86Å; Q470-W474 HydrophobicContact CB-CH2 4.45Å; Q470-W474 HydrophobicContact CB-CZ3 4.02Å; Q470-W474 HydrophobicContact CG-CD2 4.02Å; Q470-W474 HydrophobicContact CG-CE3 3.76Å; Q470-W474 HydrophobicContact CG-CH2 3.47Å; Q470-W474 VanDerWaalsContact CG-CH2 3.47Å; Q470-W474 HydrophobicContact CG-CZ2 3.68Å; Q470-W474 HydrophobicContact CG-CZ3 3.49Å; Q470-W474 VanDerWaalsContact CG-CZ3 3.49Å
471S85.8Confident85Confident9 Ų960.4 Ų60.46%0.06328%0.283CS..Iπ-helixtrans-79.9-32.1-176.4-58.80000114.1K467 L468 P475K467-S471 PolarHBondContact O-N 3.12Å; K467-S471 PolarHBondContact O-OG 3.17Å; K467-S471 VanDerWaalsContact O-OG 3.1Å; L468-S471 PolarHBondContact O-N 3.46Å; S471-P475 WeakPolarHBondContact O-CG 3.45Å
472I84.4Confident84.7Confident2 Ų260.3 Ų60.31%0.0128%0.282CS..Iπ-helixtrans-110.7-47.9-172.9-57.3173.8000111.9L468 I476 A510 V552 V630L468-I472 HydrophobicContact CD2-CD1 4.01Å; L468-I472 WeakPolarHBondContact O-CB 3.47Å; L468-I472 PolarHBondContact O-N 3Å; I472-I476 HydrophobicContact CG2-CD1 4.43Å; I472-I476 WeakPolarHBondContact O-CD1 3.12Å; I472-I476 WeakPolarHBondContact O-CG1 3.18Å; I472-A510 HydrophobicContact CD1-CB 3.91Å; I472-V552 HydrophobicContact CG2-CG2 4.13Å; I472-V630 HydrophobicContact CD1-CG2 3.98Å
473E84.4Confident84.3Confident26 Ų2659 Ų5912%0.12128%0.281CS..Iπ-helixtrans-78.4-42.2-171.4-170.8176.5148.800112.2R469 I476 R477 S513R469-E473 HydrophobicContact CB-CB 4.5Å; R469-E473 WeakPolarHBondContact O-CA 3.2Å; R469-E473 VanDerWaalsContact O-CB 3.24Å; R469-E473 WeakPolarHBondContact O-CB 3.47Å; R469-E473 PolarHBondContact O-N 3.07Å; E473-I476 PolarHBondContact O-N 2.79Å; E473-R477 HydrophobicContact CG-CG 4.32Å; E473-R477 WeakPolarHBondContact O-CB 3.35Å; E473-R477 WeakPolarHBondContact O-CG 3.15Å; E473-R477 PolarHBondContact O-N 3.33Å; E473-R477 IonicContact OE1-CZ 3.42Å; E473-R477 IonicContact OE1-NE 3.69Å; E473-R477 IonicContact OE1-NH1 2.71Å; E473-R477 PolarHBondContact OE1-NH1 3.38Å; E473-R477 IonicContact OE1-NH2 3.79Å; E473-R477 PolarHBondContact OE1-NH2 2.71Å; E473-S513 PolarHBondContact OE2-OG 3.2Å; E473-S513 VanDerWaalsContact OE2-OG 3.06Å
474W85.3Confident83.8Confident124 Ų12461 Ų6147%0.4728%0.283SS..Hα-helixtrans-64.8-44.4-177.9-65.8-3.6000114.3R469 Q470 I476 R477 H478 F482R469-W474 PolarHBondContact O-N 2.89Å; R469-W474 VanDerWaalsContact O-N 3.1Å; Q470-W474 HydrophobicContact CB-CD2 4.19Å; Q470-W474 HydrophobicContact CB-CE3 3.86Å; Q470-W474 HydrophobicContact CB-CH2 4.45Å; Q470-W474 HydrophobicContact CB-CZ3 4.02Å; Q470-W474 HydrophobicContact CG-CD2 4.02Å; Q470-W474 HydrophobicContact CG-CE3 3.76Å; Q470-W474 HydrophobicContact CG-CH2 3.47Å; Q470-W474 VanDerWaalsContact CG-CH2 3.47Å; Q470-W474 HydrophobicContact CG-CZ2 3.68Å; Q470-W474 HydrophobicContact CG-CZ3 3.49Å; Q470-W474 VanDerWaalsContact CG-CZ3 3.49Å; W474-I476 PolarHBondContact O-N 3.38Å; W474-R477 PolarHBondContact O-N 3.01Å; W474-H478 PolarHBondContact O-N 3.47Å; W474-F482 HydrophobicContact CB-CE2 4.14Å; W474-F482 HydrophobicContact CB-CZ 4.46Å
475P82.1Confident83.5Confident5 Ų566.2 Ų66.23%0.03231%0.309CS..Hα-helixtrans-62.7-32.5179.4-23.634.7000113S471 F482 P490S471-P475 WeakPolarHBondContact O-CG 3.45Å; P475-F482 HydrophobicContact CB-CE2 4.33Å; P475-F482 HydrophobicContact CB-CZ 4.32Å; P475-F482 HydrophobicContact CG-CE1 4.39Å; P475-F482 HydrophobicContact CG-CE2 4.18Å; P475-F482 HydrophobicContact CG-CZ 3.8Å; P475-P490 HydrophobicContact CG-CG 4.17Å
476I76.4Confident82.9Confident45 Ų4568.8 Ų68.823%0.23134%0.339CS..Hα-helixtrans-82.2-39.6-176.4-60.4178.9000110.9I472 E473 W474 C516I472-I476 HydrophobicContact CG2-CD1 4.43Å; I472-I476 WeakPolarHBondContact O-CD1 3.12Å; I472-I476 WeakPolarHBondContact O-CG1 3.18Å; E473-I476 PolarHBondContact O-N 2.79Å; W474-I476 PolarHBondContact O-N 3.38Å; I476-C516 WeakPolarHBondContact CD1-SG 3.42Å
477R80.3Confident82.2Confident125 Ų12571.4 Ų71.447%0.47235%0.346SS..Hα-helixtrans-83.1-31.7-179.1-70.1-169.4179.2172.28.6114E473 W474 S513E473-R477 HydrophobicContact CG-CG 4.32Å; E473-R477 WeakPolarHBondContact O-CB 3.35Å; E473-R477 WeakPolarHBondContact O-CG 3.15Å; E473-R477 PolarHBondContact O-N 3.33Å; E473-R477 IonicContact OE1-CZ 3.42Å; E473-R477 IonicContact OE1-NE 3.69Å; E473-R477 IonicContact OE1-NH1 2.71Å; E473-R477 PolarHBondContact OE1-NH1 3.38Å; E473-R477 IonicContact OE1-NH2 3.79Å; E473-R477 PolarHBondContact OE1-NH2 2.71Å; W474-R477 PolarHBondContact O-N 3.01Å; R477-S513 PolarHBondContact NH2-O 2.54Å
478H81.7Confident81.2Confident109 Ų10972.3 Ų72.351%0.50536%0.364SS..  trans-128.858.5-173.2-58.2-57.5000112.5W474 E480 A481 F482W474-H478 PolarHBondContact O-N 3.47Å; H478-E480 VanDerWaalsContact C-N 3.29Å; H478-E480 PolarHBondContact O-N 2.82Å; H478-A481 HydrophobicContact CB-CB 4.17Å; H478-A481 PolarHBondContact O-N 2.76Å; H478-F482 WeakPolarHBondContact O-CD2 3.42Å
479P74.9Confident80.4Confident23 Ų2374.2 Ų74.215%0.14937%0.372CS..Hα-helixtrans-62.5-35.9-179.325.8-34.2000112.9A481 F482 V483 R489 C623P479-A481 VanDerWaalsContact C-N 3.29Å; P479-A481 PolarHBondContact O-N 3.13Å; P479-F482 PolarHBondContact O-N 3.48Å; P479-V483 PolarHBondContact O-N 2.74Å; P479-V483 VanDerWaalsContact O-N 3.16Å; P479-R489 VanDerWaalsContact CB-NH2 3.27Å; P479-C623 WeakPolarHBondContact CB-SG 3.23Å
480E77.8Confident79.6Confident127 Ų12770.4 Ų70.459%0.59336%0.359SS*.Hα-helixtrans-59.3-38.8178.1-66.4167.9-155.200112.4H478 F482 V483 R484H478-E480 VanDerWaalsContact C-N 3.29Å; H478-E480 PolarHBondContact O-N 2.82Å; E480-F482 VanDerWaalsContact C-N 3.31Å; E480-F482 PolarHBondContact O-N 3.42Å; E480-V483 PolarHBondContact O-N 3.43Å; E480-R484 VanDerWaalsContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CB 3.35Å; E480-R484 PolarHBondContact O-N 3.26Å
481A83.1Confident79Confident27 Ų2770 Ų7022%0.22335%0.354CS..Hα-helixtrans-65.2-37179.100000111.5H478 P479 L485H478-A481 HydrophobicContact CB-CB 4.17Å; H478-A481 PolarHBondContact O-N 2.76Å; P479-A481 VanDerWaalsContact C-N 3.29Å; P479-A481 PolarHBondContact O-N 3.13Å; A481-L485 WeakPolarHBondContact O-CB 3.41Å; A481-L485 WeakPolarHBondContact O-CD1 3.37Å; A481-L485 VanDerWaalsContact O-CG 3.23Å; A481-L485 WeakPolarHBondContact O-CG 3.41Å; A481-L485 PolarHBondContact O-N 3.33Å; A481-L485 VanDerWaalsContact O-N 3.12Å
482F79.1Confident79Confident30 Ų3069.6 Ų69.613%0.13235%0.351CS..Hα-helixtrans-67.8-43.6176.3-82.7-101.2000112W474 P475 H478 P479 E480 L485 G486 L487 R489W474-F482 HydrophobicContact CB-CE2 4.14Å; W474-F482 HydrophobicContact CB-CZ 4.46Å; P475-F482 HydrophobicContact CB-CE2 4.33Å; P475-F482 HydrophobicContact CB-CZ 4.32Å; P475-F482 HydrophobicContact CG-CE1 4.39Å; P475-F482 HydrophobicContact CG-CE2 4.18Å; P475-F482 HydrophobicContact CG-CZ 3.8Å; H478-F482 WeakPolarHBondContact O-CD2 3.42Å; P479-F482 PolarHBondContact O-N 3.48Å; E480-F482 VanDerWaalsContact C-N 3.31Å; E480-F482 PolarHBondContact O-N 3.42Å; F482-L485 PolarHBondContact O-N 3.1Å; F482-G486 PolarHBondContact O-N 3.13Å; F482-G486 VanDerWaalsContact O-N 3.11Å; F482-L487 HydrophobicContact CD1-CB 3.86Å; F482-L487 HydrophobicContact CE1-CB 4.5Å; F482-L487 PolarHBondContact O-N 3Å; F482-R489 HydrophobicContact CD1-CG 4.34Å
483V77.4Confident79.2Confident86 Ų8669.5 Ų69.552%0.52135%0.35SS..Hα-helixtrans-64-47.3178177.40000110.4P479 E480 L485 G486P479-V483 PolarHBondContact O-N 2.74Å; P479-V483 VanDerWaalsContact O-N 3.16Å; E480-V483 PolarHBondContact O-N 3.43Å; V483-L485 VanDerWaalsContact C-N 3.27Å; V483-L485 PolarHBondContact O-N 3.05Å; V483-G486 PolarHBondContact O-N 2.88Å
484R80.3Confident79.5Confident194 Ų19468.4 Ų68.473%0.73235%0.345SS*.Hα-helixtrans-59.1-37.4178.5-176.717565.3-138.6-0.3112.9E480 G486E480-R484 VanDerWaalsContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CB 3.35Å; E480-R484 PolarHBondContact O-N 3.26Å; R484-G486 VanDerWaalsContact C-N 3.32Å
485L83.4Confident79.8Confident115 Ų11562.5 Ų62.560%0.60232%0.323SS*.THydrogen-bonded Turntrans-86-2.6179.4-66171.9000113.2A481 F482 V483 L487A481-L485 WeakPolarHBondContact O-CB 3.41Å; A481-L485 WeakPolarHBondContact O-CD1 3.37Å; A481-L485 VanDerWaalsContact O-CG 3.23Å; A481-L485 WeakPolarHBondContact O-CG 3.41Å; A481-L485 PolarHBondContact O-N 3.33Å; A481-L485 VanDerWaalsContact O-N 3.12Å; F482-L485 PolarHBondContact O-N 3.1Å; V483-L485 VanDerWaalsContact C-N 3.27Å; V483-L485 PolarHBondContact O-N 3.05Å; L485-L487 HydrophobicContact CB-CD1 3.88Å; L485-L487 HydrophobicContact CB-CG 3.8Å; L485-L487 HydrophobicContact CD1-CD1 3.95Å; L485-L487 PolarHBondContact O-N 3.44Å
486G76.6Confident80.2Confident65 Ų6564.7 Ų64.767%0.6733%0.331SS*.THydrogen-bonded Turntrans63.421.8-176.200000113.7F482 V483 R484F482-G486 PolarHBondContact O-N 3.13Å; F482-G486 VanDerWaalsContact O-N 3.11Å; V483-G486 PolarHBondContact O-N 2.88Å; R484-G486 VanDerWaalsContact C-N 3.32Å
487L77.1Confident80.9Confident97 Ų9762.5 Ų62.551%0.50832%0.32SS..PPolyproline II helixtrans-80.5130.7-177.5-66.4172.9000110.3F482 L485 R489F482-L487 HydrophobicContact CD1-CB 3.86Å; F482-L487 HydrophobicContact CE1-CB 4.5Å; F482-L487 PolarHBondContact O-N 3Å; L485-L487 HydrophobicContact CB-CD1 3.88Å; L485-L487 HydrophobicContact CB-CG 3.8Å; L485-L487 HydrophobicContact CD1-CD1 3.95Å; L485-L487 PolarHBondContact O-N 3.44Å; L487-R489 PolarHBondContact O-N 3.22Å
488C67.8Low81.2Confident124 Ų12456.7 Ų56.784%0.83830%0.298SS*.PPolyproline II helixtrans-66.2129.3168.8-640000109.4
489R72.4Confident81.4Confident41 Ų4154.3 Ų54.316%0.15529%0.293CS..PPolyproline II helixtrans-66138.6172.4-65.1-177.5-174.5174.81.4109.4P479 F482 L487 C623 D626P479-R489 VanDerWaalsContact CB-NH2 3.27Å; F482-R489 HydrophobicContact CD1-CG 4.34Å; L487-R489 PolarHBondContact O-N 3.22Å; R489-C623 PolarHBondContact NH1-SG 3.48Å; R489-C623 PolarHBondContact NH2-SG 2.86Å; R489-D626 IonicContact NH1-OD1 3.22Å; R489-D626 PolarHBondContact NH1-OD1 3.24Å; R489-D626 VanDerWaalsContact NH1-OD1 3.15Å; R489-D626 IonicContact NH1-OD2 2.7Å; R489-D626 PolarHBondContact NH1-OD2 3.39Å
490P73Confident81.7Confident14 Ų1454.9 Ų54.99%0.09130%0.302CS..PPolyproline II helixtrans-65.4138.3175.223.1-28.1000110.9P475 M628 H651P475-P490 HydrophobicContact CG-CG 4.17Å; P490-M628 HydrophobicContact CB-CE 4.47Å; P490-M628 HydrophobicContact CG-CE 4.07Å; P490-M628 VanDerWaalsContact O-CE 3.23Å; P490-M628 WeakPolarHBondContact O-CE 3.44Å; P490-H651 WeakPolarHBondContact CB-CD2 3.14Å
491R75.5Confident81.9Confident82 Ų8249.1 Ų49.131%0.30928%0.276SS..  trans-90-32.6179.3-66.5-66.6179-164.7-3.1112.9I589 G590 V629 D650R491-I589 WeakPolarHBondContact CD-O 3.47Å; R491-I589 PolarHBondContact NE-O 3.44Å; R491-I589 PolarHBondContact NH1-O 3.25Å; R491-G590 VanDerWaalsContact NH1-CA 3.25Å; R491-G590 VanDerWaalsContact NH2-CA 3.32Å; R491-V629 PolarHBondContact O-N 3Å; R491-D650 PolarHBondContact N-OD2 3.46Å
492G85.4Confident81.8Confident0 Ų049.6 Ų49.60%028%0.28CS..EExtended strand (participates in β ladder)trans-159.1155179.400000114.8V629 R648 D650 H651G492-V629 CarbonylContact C-O 3.59Å; G492-V629 WeakPolarHBondContact CA-O 3.42Å; G492-R648 WeakPolarHBondContact CA-O 3.46Å; G492-R648 PolarHBondContact N-O 3.21Å; G492-D650 PolarHBondContact O-N 3.05Å; G492-H651 PolarHBondContact O-N 2.92Å
493V89.4Confident82.2Confident0 Ų048.8 Ų48.80%028%0.276CS..EExtended strand (participates in β ladder)trans-120.6127.8179.3-177.10000108.7L468 L495 M628 V629 V630 A631 H651 I653L468-V493 HydrophobicContact CD2-CG1 4.28Å; V493-L495 HydrophobicContact CG1-CD2 4.43Å; V493-M628 HydrophobicContact CG2-SD 4.41Å; V493-V629 PolarHBondContact N-O 2.93Å; V493-V630 HydrophobicContact CB-CG1 4.39Å; V493-V630 HydrophobicContact CB-CG2 4.36Å; V493-V630 CarbonylContact O-C 3.49Å; V493-V630 VanDerWaalsContact O-CA 3.31Å; V493-V630 WeakPolarHBondContact O-CA 3.4Å; V493-A631 PolarHBondContact O-N 3.48Å; V493-H651 CarbonylContact C-O 3.54Å; V493-H651 VanDerWaalsContact CA-O 3.3Å; V493-H651 WeakPolarHBondContact CA-O 3.42Å; V493-H651 HydrophobicContact CG1-CB 4.48Å; V493-H651 HydrophobicContact CG2-CB 4.27Å; V493-I653 HydrophobicContact CG1-CD1 3.61Å; V493-I653 HydrophobicContact CG1-CG1 4.1Å
494L90.9Very high82.7Confident4 Ų446.8 Ų46.82%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-105.6117172.517961.4000110A631 T633 I639 L644 L649 H651 I652 I653L494-A631 CarbonylContact C-O 3.57Å; L494-A631 WeakPolarHBondContact CA-O 3.49Å; L494-A631 HydrophobicContact CD1-CB 3.84Å; L494-T633 HydrophobicContact CD1-CG2 4.19Å; L494-I639 HydrophobicContact CD1-CD1 3.82Å; L494-I639 HydrophobicContact CD2-CD1 3.75Å; L494-I639 HydrophobicContact CG-CD1 4.41Å; L494-L644 HydrophobicContact CD2-CD2 3.5Å; L494-L649 HydrophobicContact CB-CB 4.19Å; L494-L649 HydrophobicContact CB-CD1 4.08Å; L494-L649 HydrophobicContact CD1-CD1 4.21Å; L494-L649 HydrophobicContact CD2-CD1 4.25Å; L494-L649 HydrophobicContact CG-CD1 4.41Å; L494-H651 PolarHBondContact N-O 3.38Å; L494-I652 HydrophobicContact CB-CG2 4.42Å; L494-I652 HydrophobicContact CD2-CG2 4.24Å; L494-I652 HydrophobicContact CG-CG2 4.43Å; L494-I652 CarbonylContact O-C 3.57Å; L494-I652 WeakPolarHBondContact O-CA 3.43Å; L494-I653 PolarHBondContact O-N 3.06Å
495L91.5Very high83Confident0 Ų040.3 Ų40.30%025%0.246CC..EExtended strand (participates in β ladder)trans-94.4124.6171.2-63173.4000110L468 V493 V507 V630 A631 A632 T633 I653 V655L468-L495 HydrophobicContact CD2-CD2 3.95Å; V493-L495 HydrophobicContact CG1-CD2 4.43Å; L495-V507 HydrophobicContact CD1-CG2 3.19Å; L495-V630 HydrophobicContact CD1-CG1 4.12Å; L495-V630 HydrophobicContact CG-CG1 4.41Å; L495-A631 PolarHBondContact N-O 3.39Å; L495-A632 HydrophobicContact CB-CB 4.46Å; L495-A632 CarbonylContact O-C 3.42Å; L495-A632 VanDerWaalsContact O-CA 3.31Å; L495-A632 WeakPolarHBondContact O-CA 3.46Å; L495-T633 PolarHBondContact O-N 2.89Å; L495-I653 WeakPolarHBondContact CA-O 3.34Å; L495-I653 HydrophobicContact CD2-CB 3.66Å; L495-I653 HydrophobicContact CD2-CD1 4.29Å; L495-I653 HydrophobicContact CD2-CG1 4.48Å; L495-I653 HydrophobicContact CD2-CG2 3.87Å; L495-V655 HydrophobicContact CD2-CG2 4.34Å
496Y90.6Very high83.2Confident50 Ų5034.8 Ų34.820%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-132.1155.5174.176.3-80.5000111.6T633 P636 I652 I653 Y654 V655 Y743Y496-T633 WeakPolarHBondContact CA-O 3.26Å; Y496-P636 HydrophobicContact CD2-CB 4.07Å; Y496-P636 HydrophobicContact CD2-CG 3.89Å; Y496-P636 HydrophobicContact CG-CB 4.27Å; Y496-I652 HydrophobicContact CD1-CG2 3.48Å; Y496-I652 VanDerWaalsContact CD1-CG2 3.48Å; Y496-I652 HydrophobicContact CE1-CG2 3.36Å; Y496-I653 WeakPolarHBondContact CD1-O 3.45Å; Y496-I653 PolarHBondContact N-O 3.21Å; Y496-Y654 AromaticContact CD2-CD2 3.81Å; Y496-Y654 HydrophobicContact CD2-CD2 3.81Å; Y496-Y654 HydrophobicContact CD2-CE2 4.5Å; Y496-Y654 HydrophobicContact CE1-CD2 4.49Å; Y496-Y654 AromaticContact CE2-CD2 3.41Å; Y496-Y654 HydrophobicContact CE2-CD2 3.41Å; Y496-Y654 VanDerWaalsContact CE2-CD2 3.41Å; Y496-Y654 HydrophobicContact CE2-CE2 4.19Å; Y496-Y654 HydrophobicContact CE2-CG 4.1Å; Y496-Y654 AromaticContact CZ-CD2 3.82Å; Y496-Y654 WeakPolarHBondContact O-CA 3.49Å; Y496-V655 PolarHBondContact O-N 3.4Å; Y496-Y743 HydrophobicContact CD2-CD1 4.27Å
497G89.8Confident83.8Confident0 Ų031.7 Ų31.70%019%0.186CC..  trans162.2-170.5-178.100000113K503 Y743G497-K503 VanDerWaalsContact N-CE 3.34Å; G497-K503 VanDerWaalsContact N-NZ 3.14Å; G497-K503 PolarHBondContact O-NZ 2.79Å; G497-Y743 WeakPolarHBondContact O-CE1 3.3Å; G497-Y743 PolarHBondContact O-OH 3.38Å
498P87.6Confident84.2Confident2 Ų228.7 Ų28.71%0.01317%0.169CC..  trans-67.3157.1175.6-0.914000111.9K503 V655 L735 Y743P498-K503 WeakPolarHBondContact O-CE 3.12Å; P498-K503 PolarHBondContact O-NZ 3.33Å; P498-V655 WeakPolarHBondContact CD-O 3.2Å; P498-L735 HydrophobicContact CB-CD1 4.38Å; P498-L735 HydrophobicContact CB-CD2 3.48Å; P498-L735 VanDerWaalsContact CB-CD2 3.48Å; P498-L735 HydrophobicContact CG-CD2 4.42Å; P498-Y743 HydrophobicContact CB-CE2 4.35Å
499P85.6Confident85.1Confident60 Ų6022.8 Ų22.839%0.3913%0.129SC..THydrogen-bonded Turntrans-64153.6169.329.5-34.5000110.6C501P499-C501 VanDerWaalsContact C-N 3.28Å; P499-C501 PolarHBondContact O-N 3.36Å
500G81.3Confident85.7Confident34 Ų3421 Ų2135%0.35112%0.122SC..THydrogen-bonded Turntrans74.88.8176.500000115.9A502 G694 A695G500-A502 PolarHBondContact O-N 2.82Å; G500-G694 WeakPolarHBondContact O-CA 3.43Å; G500-G694 PolarHBondContact O-N 3.47Å; G500-A695 PolarHBondContact O-N 2.88Å
501C81.1Confident86.2Confident6 Ų620.5 Ų20.54%0.04112%0.12CC..SBendtrans-96.535.3179.6-62.30000113.6P499 K503 V655P499-C501 VanDerWaalsContact C-N 3.28Å; P499-C501 PolarHBondContact O-N 3.36Å; C501-K503 VanDerWaalsContact C-N 3.28Å; C501-K503 PolarHBondContact O-N 2.91Å; C501-K503 VanDerWaalsContact O-N 3.11Å; C501-V655 HydrophobicContact CB-CG1 4.03Å
502A82Confident86.6Confident38 Ų3818.8 Ų18.831%0.31412%0.118SC..SBendtrans59.126.5169.600000116G500 T504 T505 L506G500-A502 PolarHBondContact O-N 2.82Å; A502-T504 PolarHBondContact O-N 2.96Å; A502-T505 VanDerWaalsContact CA-OG1 3.29Å; A502-T505 WeakPolarHBondContact CA-OG1 3.25Å; A502-T505 WeakPolarHBondContact CB-OG1 3.39Å; A502-T505 PolarHBondContact O-N 2.6Å; A502-T505 PolarHBondContact O-OG1 2.66Å; A502-L506 WeakPolarHBondContact O-CB 3.46Å; A502-L506 WeakPolarHBondContact O-CG 3.43Å; A502-L506 PolarHBondContact O-N 3.45Å
503K88.2Confident86.5Confident12 Ų1220 Ų205%0.05213%0.127CC..Hα-helixtrans-60.3-49.4-179.8-60.7178.3-167.7160.40112.1G497 P498 C501 T505 L506 V507 T633 N634 V655G497-K503 VanDerWaalsContact N-CE 3.34Å; G497-K503 VanDerWaalsContact N-NZ 3.14Å; G497-K503 PolarHBondContact O-NZ 2.79Å; P498-K503 WeakPolarHBondContact O-CE 3.12Å; P498-K503 PolarHBondContact O-NZ 3.33Å; C501-K503 VanDerWaalsContact C-N 3.28Å; C501-K503 PolarHBondContact O-N 2.91Å; C501-K503 VanDerWaalsContact O-N 3.11Å; K503-T505 VanDerWaalsContact C-N 3.31Å; K503-T505 PolarHBondContact O-N 3.29Å; K503-L506 PolarHBondContact O-N 2.8Å; K503-V507 PolarHBondContact O-N 3.05Å; K503-T633 PolarHBondContact NZ-O 3.11Å; K503-N634 PolarHBondContact NZ-OD1 3.36Å; K503-V655 HydrophobicContact CG-CB 4.38Å; K503-V655 HydrophobicContact CG-CG2 4.16Å
504T86.1Confident85.9Confident45 Ų4520.5 Ų20.528%0.27613%0.131SC..Hα-helixtrans-61.4-40178.6-46.50000111.3A502 K508 F554 D556A502-T504 PolarHBondContact O-N 2.96Å; T504-K508 VanDerWaalsContact O-CG 3.3Å; T504-K508 WeakPolarHBondContact O-CG 3.45Å; T504-K508 PolarHBondContact O-N 3.39Å; T504-K508 VanDerWaalsContact O-N 3.13Å; T504-F554 HydrophobicContact CG2-CE1 3.68Å; T504-F554 HydrophobicContact CG2-CZ 4.27Å; T504-D556 PolarHBondContact OG1-OD2 3.47Å
505T86.7Confident85.2Confident57 Ų5727 Ų2735%0.3516%0.155SC..Hα-helixtrans-73.2-33.2178.9480000112.9A502 K503 K508 A509A502-T505 VanDerWaalsContact CA-OG1 3.29Å; A502-T505 WeakPolarHBondContact CA-OG1 3.25Å; A502-T505 WeakPolarHBondContact CB-OG1 3.39Å; A502-T505 PolarHBondContact O-N 2.6Å; A502-T505 PolarHBondContact O-OG1 2.66Å; K503-T505 VanDerWaalsContact C-N 3.31Å; K503-T505 PolarHBondContact O-N 3.29Å; T505-K508 PolarHBondContact O-N 2.77Å; T505-A509 WeakPolarHBondContact O-CB 3.37Å; T505-A509 PolarHBondContact O-N 2.94Å
506L88.8Confident84.5Confident0 Ų027.4 Ų27.40%016%0.157CC..Hα-helixtrans-60.6-45.4172.7-79.8167000112.2W455 I458 L461 V464 K465 L468 A502 K503 A509 A510 V655W455-L506 HydrophobicContact CZ3-CD2 4.07Å; I458-L506 HydrophobicContact CD1-CD2 3.98Å; I458-L506 HydrophobicContact CD1-CG 4.35Å; I458-L506 HydrophobicContact CG2-CD2 3.97Å; L461-L506 HydrophobicContact CD1-CD1 4.13Å; V464-L506 HydrophobicContact CG1-CD1 4.06Å; K465-L506 HydrophobicContact CG-CD2 4.24Å; L468-L506 HydrophobicContact CD1-CB 3.98Å; L468-L506 HydrophobicContact CD1-CD2 4.43Å; A502-L506 WeakPolarHBondContact O-CB 3.46Å; A502-L506 WeakPolarHBondContact O-CG 3.43Å; A502-L506 PolarHBondContact O-N 3.45Å; K503-L506 PolarHBondContact O-N 2.8Å; L506-A509 PolarHBondContact O-N 2.94Å; L506-A510 PolarHBondContact O-N 3.44Å; L506-V655 HydrophobicContact CD1-CG1 4.28Å; L506-V655 HydrophobicContact CD1-CG2 4.38Å
507V88.3Confident83.8Confident0 Ų025.3 Ų25.30%015%0.15CC..Hα-helixtrans-68.2-41.2178.1-172.50000110.9L495 K503 A509 A510 A511 F518 V552 F554 V630L495-V507 HydrophobicContact CD1-CG2 3.19Å; K503-V507 PolarHBondContact O-N 3.05Å; V507-A509 VanDerWaalsContact C-N 3.28Å; V507-A509 PolarHBondContact O-N 2.82Å; V507-A510 PolarHBondContact O-N 3.39Å; V507-A511 WeakPolarHBondContact O-CB 3.32Å; V507-A511 PolarHBondContact O-N 3.39Å; V507-F518 HydrophobicContact CG1-CE2 3.93Å; V507-V552 HydrophobicContact CG1-CG1 4.22Å; V507-F554 HydrophobicContact CB-CD2 3.91Å; V507-F554 HydrophobicContact CB-CE2 4.05Å; V507-F554 HydrophobicContact CB-CG 4.46Å; V507-F554 HydrophobicContact CG1-CB 4.3Å; V507-F554 HydrophobicContact CG1-CD2 3.7Å; V507-F554 HydrophobicContact CG1-CE2 4.33Å; V507-F554 HydrophobicContact CG1-CG 4.14Å; V507-F554 HydrophobicContact CG2-CD2 3.82Å; V507-F554 HydrophobicContact CG2-CE2 3.61Å; V507-F554 HydrophobicContact CG2-CZ 4.46Å; V507-V630 HydrophobicContact CB-CG1 4.46Å; V507-V630 HydrophobicContact CG1-CB 4.06Å; V507-V630 HydrophobicContact CG1-CG1 3.9Å; V507-V630 HydrophobicContact CG1-CG2 4.29Å; V507-V630 HydrophobicContact CG2-CG1 3.62Å
508K85.9Confident83.5Confident33 Ų3326 Ų2614%0.14315%0.154CC..Hα-helixtrans-57.1-42.2173.8-75178.6177.3-169.30111.8E449 V453 T504 T505 A511 T512 F518E449-K508 IonicContact OE2-NZ 2.76Å; V453-K508 HydrophobicContact CG2-CB 4.45Å; T504-K508 VanDerWaalsContact O-CG 3.3Å; T504-K508 WeakPolarHBondContact O-CG 3.45Å; T504-K508 PolarHBondContact O-N 3.39Å; T504-K508 VanDerWaalsContact O-N 3.13Å; T505-K508 PolarHBondContact O-N 2.77Å; K508-A511 PolarHBondContact O-N 2.86Å; K508-T512 WeakPolarHBondContact O-CB 3.26Å; K508-T512 PolarHBondContact O-N 3.18Å; K508-T512 PolarHBondContact O-OG1 3.43Å; K508-F518 HydrophobicContact CG-CE1 3.76Å; K508-F518 HydrophobicContact CG-CE2 4.35Å; K508-F518 HydrophobicContact CG-CZ 3.65Å
509A86.6Confident83.2Confident0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-68.1-40.217700000112.8V453 W455 I458 T505 L506 V507 T512 S513V453-A509 HydrophobicContact CB-CB 4.37Å; V453-A509 HydrophobicContact CG1-CB 4.1Å; V453-A509 WeakPolarHBondContact O-CA 3.41Å; W455-A509 HydrophobicContact CD2-CB 4.29Å; W455-A509 HydrophobicContact CE3-CB 4.11Å; W455-A509 HydrophobicContact CZ3-CB 4.32Å; I458-A509 HydrophobicContact CD1-CB 3.54Å; T505-A509 WeakPolarHBondContact O-CB 3.37Å; T505-A509 PolarHBondContact O-N 2.94Å; L506-A509 PolarHBondContact O-N 2.94Å; V507-A509 VanDerWaalsContact C-N 3.28Å; V507-A509 PolarHBondContact O-N 2.82Å; A509-T512 PolarHBondContact O-N 3.31Å; A509-S513 WeakPolarHBondContact O-CB 2.99Å; A509-S513 PolarHBondContact O-N 3.24Å
510A85.6Confident83.2Confident3 Ų324.2 Ų24.23%0.02514%0.142CC..Hα-helixtrans-61.7-44.7175.100000112W455 I472 L506 V507 S513 S514W455-A510 HydrophobicContact CH2-CB 3.9Å; W455-A510 HydrophobicContact CZ2-CB 3.87Å; I472-A510 HydrophobicContact CD1-CB 3.91Å; L506-A510 PolarHBondContact O-N 3.44Å; V507-A510 PolarHBondContact O-N 3.39Å; A510-S513 PolarHBondContact O-N 2.84Å; A510-S514 WeakPolarHBondContact O-CB 3.47Å; A510-S514 PolarHBondContact O-N 2.92Å; A510-S514 PolarHBondContact O-OG 3.12Å
511A83.5Confident83.3Confident4 Ų422.8 Ų22.83%0.03313%0.127CC..Hα-helixtrans-66.2-38.417800000112.6V507 K508 S514 R515 C516 F518 V552V507-A511 WeakPolarHBondContact O-CB 3.32Å; V507-A511 PolarHBondContact O-N 3.39Å; K508-A511 PolarHBondContact O-N 2.86Å; A511-S514 WeakPolarHBondContact CA-OG 3.34Å; A511-S514 PolarHBondContact O-N 3.26Å; A511-S514 PolarHBondContact O-OG 3.3Å; A511-S514 VanDerWaalsContact O-OG 3.05Å; A511-R515 PolarHBondContact O-N 3.32Å; A511-R515 VanDerWaalsContact O-N 3.13Å; A511-C516 PolarHBondContact O-N 3.19Å; A511-F518 HydrophobicContact CB-CB 4.03Å; A511-F518 HydrophobicContact CB-CD2 3.57Å; A511-F518 HydrophobicContact CB-CE2 4.42Å; A511-F518 HydrophobicContact CB-CG 4.12Å; A511-V552 HydrophobicContact CB-CB 4.36Å; A511-V552 HydrophobicContact CB-CG2 4.38Å
512T82.6Confident83.4Confident46 Ų4624 Ų2428%0.28214%0.135SC..Hα-helixtrans-65-43.2175.3-55.50000110.8P452 V453 K508 A509 S514 R515P452-T512 HydrophobicContact CB-CG2 3.77Å; V453-T512 WeakPolarHBondContact O-CB 3.44Å; K508-T512 WeakPolarHBondContact O-CB 3.26Å; K508-T512 PolarHBondContact O-N 3.18Å; K508-T512 PolarHBondContact O-OG1 3.43Å; A509-T512 PolarHBondContact O-N 3.31Å; T512-S514 PolarHBondContact O-N 3.02Å; T512-R515 PolarHBondContact O-N 2.84Å
513S83.3Confident83.1Confident27 Ų2722.3 Ų22.319%0.18912%0.122CC..Hα-helixtrans-64.1-38.1176.6-1730000112.7W455 E473 R477 A509 A510 R515W455-S513 VanDerWaalsContact NE1-CB 3.28Å; W455-S513 PolarHBondContact NE1-OG 3.43Å; E473-S513 PolarHBondContact OE2-OG 3.2Å; E473-S513 VanDerWaalsContact OE2-OG 3.06Å; R477-S513 PolarHBondContact NH2-O 2.54Å; A509-S513 WeakPolarHBondContact O-CB 2.99Å; A509-S513 PolarHBondContact O-N 3.24Å; A510-S513 PolarHBondContact O-N 2.84Å; S513-R515 VanDerWaalsContact C-N 3.25Å; S513-R515 PolarHBondContact O-N 3.43Å
514S77.9Confident82.5Confident10 Ų1024.9 Ų24.97%0.0715%0.145CC..Hα-helixtrans-78-9178.270.30000113.3A510 A511 T512 C516A510-S514 WeakPolarHBondContact O-CB 3.47Å; A510-S514 PolarHBondContact O-N 2.92Å; A510-S514 PolarHBondContact O-OG 3.12Å; A511-S514 WeakPolarHBondContact CA-OG 3.34Å; A511-S514 PolarHBondContact O-N 3.26Å; A511-S514 PolarHBondContact O-OG 3.3Å; A511-S514 VanDerWaalsContact O-OG 3.05Å; T512-S514 PolarHBondContact O-N 3.02Å; S514-C516 PolarHBondContact O-N 3.17Å; S514-C516 PolarHBondContact O-SG 2.9Å; S514-C516 VanDerWaalsContact O-SG 3.38Å; S514-C516 PolarHBondContact OG-SG 3.36Å
515R76.7Confident82Confident140 Ų14026.4 Ų26.453%0.52815%0.152SC..THydrogen-bonded Turntrans54.736.4-176.6-57177.2175.6-173.7-10.8112.5Q390 T393 A511 T512 S513Q390-R515 VanDerWaalsContact OE1-CZ 3.22Å; Q390-R515 VanDerWaalsContact OE1-NH2 3.16Å; T393-R515 WeakPolarHBondContact CG2-O 3.46Å; A511-R515 PolarHBondContact O-N 3.32Å; A511-R515 VanDerWaalsContact O-N 3.13Å; T512-R515 PolarHBondContact O-N 2.84Å; S513-R515 VanDerWaalsContact C-N 3.25Å; S513-R515 PolarHBondContact O-N 3.43Å
516C75.8Confident81.5Confident8 Ų824 Ų245%0.05414%0.136CC..  trans-97.8158.3179.6-60.90000110.9I476 A511 S514 F518 V552I476-C516 WeakPolarHBondContact CD1-SG 3.42Å; A511-C516 PolarHBondContact O-N 3.19Å; S514-C516 PolarHBondContact O-N 3.17Å; S514-C516 PolarHBondContact O-SG 2.9Å; S514-C516 VanDerWaalsContact O-SG 3.38Å; S514-C516 PolarHBondContact OG-SG 3.36Å; C516-F518 PolarHBondContact O-N 3.1Å; C516-V552 HydrophobicContact CB-CG2 4.24Å
517A76.3Confident80.8Confident6 Ų631.7 Ų31.75%0.0517%0.167CC..EExtended strand (participates in β ladder)trans-61.3132.9165.700000108.9C548 P550 C551 V552A517-C548 HydrophobicContact CB-CB 4.22Å; A517-P550 PolarHBondContact N-O 3.18Å; A517-C551 HydrophobicContact CB-CB 4.13Å; A517-C551 CarbonylContact O-C 3.54Å; A517-C551 WeakPolarHBondContact O-CA 3.34Å; A517-C551 PolarHBondContact O-SG 2.88Å; A517-V552 PolarHBondContact O-N 3.32Å
518F82.9Confident80.2Confident15 Ų1532.9 Ų32.97%0.06618%0.175CC..EExtended strand (participates in β ladder)trans-109.9121.2177178.6-105.9000108.4T448 V507 K508 A511 C516 S520 V552 F554T448-F518 WeakPolarHBondContact CG2-O 3.42Å; V507-F518 HydrophobicContact CG1-CE2 3.93Å; K508-F518 HydrophobicContact CG-CE1 3.76Å; K508-F518 HydrophobicContact CG-CE2 4.35Å; K508-F518 HydrophobicContact CG-CZ 3.65Å; A511-F518 HydrophobicContact CB-CB 4.03Å; A511-F518 HydrophobicContact CB-CD2 3.57Å; A511-F518 HydrophobicContact CB-CE2 4.42Å; A511-F518 HydrophobicContact CB-CG 4.12Å; C516-F518 PolarHBondContact O-N 3.1Å; F518-S520 VanDerWaalsContact CE1-CB 3.49Å; F518-S520 WeakPolarHBondContact CE1-OG 2.98Å; F518-V552 HydrophobicContact CD2-CG1 4.47Å; F518-F554 HydrophobicContact CD2-CB 4.49Å; F518-F554 HydrophobicContact CE2-CB 3.52Å; F518-F554 HydrophobicContact CE2-CD1 4.48Å; F518-F554 HydrophobicContact CE2-CG 4.11Å; F518-F554 HydrophobicContact CZ-CB 3.72Å; F518-F554 AromaticContact CZ-CD1 3.94Å; F518-F554 HydrophobicContact CZ-CD1 3.94Å; F518-F554 HydrophobicContact CZ-CG 4.04Å
519L83Confident79.4Confident4 Ų436.6 Ų36.62%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-115.2108.4174.8-78173000108.4L441 T448 A545 V552 L553 F554L441-L519 HydrophobicContact CD2-CD2 3.47Å; L441-L519 VanDerWaalsContact CD2-CD2 3.47Å; L441-L519 HydrophobicContact CD2-CG 4.17Å; T448-L519 HydrophobicContact CG2-CD2 4.23Å; L519-A545 HydrophobicContact CD1-CB 3.69Å; L519-V552 PolarHBondContact N-O 2.89Å; L519-L553 HydrophobicContact CB-CD1 3.84Å; L519-F554 PolarHBondContact O-N 3.38Å
520S83.9Confident78.8Confident21 Ų2144.3 Ų44.315%0.14723%0.233CC..EExtended strand (participates in β ladder)trans-101.5133.2174.245.90000111.9R447 F518 F554R447-S520 PolarHBondContact O-OG 3.45Å; F518-S520 VanDerWaalsContact CE1-CB 3.49Å; F518-S520 WeakPolarHBondContact CE1-OG 2.98Å; S520-F554 WeakPolarHBondContact CA-O 3.48Å
521V84.8Confident78.1Confident3 Ų350.7 Ų50.72%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-133.4127171.91760000108.9D525 L526 L541 F554 L555 D556V521-D525 HydrophobicContact CG1-CB 4.46Å; V521-L526 HydrophobicContact CG1-CD1 3.63Å; V521-L526 HydrophobicContact CG1-CD2 3.89Å; V521-L526 HydrophobicContact CG1-CG 3.47Å; V521-L526 VanDerWaalsContact CG1-CG 3.47Å; V521-L541 HydrophobicContact CB-CD2 4.02Å; V521-L541 HydrophobicContact CG1-CD2 4.33Å; V521-L541 HydrophobicContact CG2-CD1 3.48Å; V521-L541 VanDerWaalsContact CG2-CD1 3.48Å; V521-L541 HydrophobicContact CG2-CD2 3.5Å; V521-L541 VanDerWaalsContact CG2-CD2 3.5Å; V521-L541 HydrophobicContact CG2-CG 4.11Å; V521-F554 PolarHBondContact N-O 3.3Å; V521-L555 HydrophobicContact CB-CD2 4.47Å; V521-D556 PolarHBondContact O-N 2.96Å
522S82.6Confident77.6Confident32 Ų3251.2 Ų51.222%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-83.6145.6169.5172.60000109.5A524 D525S522-A524 PolarHBondContact O-N 2.76Å; S522-A524 VanDerWaalsContact O-N 3.16Å; S522-A524 PolarHBondContact OG-N 2.83Å; S522-D525 PolarHBondContact N-OD2 2.93Å; S522-D525 WeakPolarHBondContact O-CB 3.37Å; S522-D525 PolarHBondContact O-N 3.22Å
523G74.8Confident77.4Confident3 Ų352.6 Ų52.63%0.03128%0.276CS..THydrogen-bonded Turntrans-58-24.8173.800000114.5D525 D556 S560 L561G523-D525 VanDerWaalsContact C-N 3.33Å; G523-D525 PolarHBondContact O-N 3.44Å; G523-D556 PolarHBondContact N-O 3.19Å; G523-S560 WeakPolarHBondContact CA-OG 3.45Å; G523-L561 VanDerWaalsContact CA-CG 3.47Å; G523-L561 WeakPolarHBondContact O-CD2 3.32Å
524A76Confident77.3Confident65 Ų6551.4 Ų51.454%0.53727%0.268SS..THydrogen-bonded Turntrans-65.3-34.6172.400000112.9S522 L526 Y527S522-A524 PolarHBondContact O-N 2.76Å; S522-A524 VanDerWaalsContact O-N 3.16Å; S522-A524 PolarHBondContact OG-N 2.83Å; A524-L526 PolarHBondContact O-N 2.97Å; A524-Y527 PolarHBondContact O-N 3.01Å
525D76.6Confident77.4Confident78 Ų7853.3 Ų53.342%0.41728%0.276SS..THydrogen-bonded Turntrans-71.9-31.7-175.4-63.9-32.9000112.3L445 V521 S522 G523 Y527L445-D525 WeakPolarHBondContact CD2-O 3.34Å; V521-D525 HydrophobicContact CG1-CB 4.46Å; S522-D525 PolarHBondContact N-OD2 2.93Å; S522-D525 WeakPolarHBondContact O-CB 3.37Å; S522-D525 PolarHBondContact O-N 3.22Å; G523-D525 VanDerWaalsContact C-N 3.33Å; G523-D525 PolarHBondContact O-N 3.44Å; D525-Y527 VanDerWaalsContact C-N 3.29Å
526L75.5Confident77.5Confident6 Ų653.4 Ų53.43%0.03128%0.28CS..THydrogen-bonded Turntrans-80.8-11.6-179.3-65.7168.8000112.7L445 V521 A524 S528 S534 A537 L538 L561L445-L526 HydrophobicContact CD2-CD2 4.09Å; V521-L526 HydrophobicContact CG1-CD1 3.63Å; V521-L526 HydrophobicContact CG1-CD2 3.89Å; V521-L526 HydrophobicContact CG1-CG 3.47Å; V521-L526 VanDerWaalsContact CG1-CG 3.47Å; A524-L526 PolarHBondContact O-N 2.97Å; L526-S528 PolarHBondContact O-N 3.21Å; L526-S534 WeakPolarHBondContact O-CB 3.41Å; L526-A537 HydrophobicContact CD2-CB 4.38Å; L526-L538 HydrophobicContact CD1-CD1 3.99Å; L526-L561 HydrophobicContact CB-CD2 3.88Å; L526-L561 HydrophobicContact CD1-CD1 3.74Å; L526-L561 HydrophobicContact CD1-CD2 4.2Å
527Y74.1Confident77.7Confident161 Ų16153.6 Ų53.663%0.63128%0.283SS*.  trans-81.1104.6179-172.3-93.4000110.5A524 D525A524-Y527 PolarHBondContact O-N 3.01Å; D525-Y527 VanDerWaalsContact C-N 3.29Å
528S75.5Confident78.1Confident26 Ų2653.7 Ų53.718%0.18228%0.282CS..  trans-111.3141.9170.664.20000111.1L526 Y530 S534L526-S528 PolarHBondContact O-N 3.21Å; S528-Y530 PolarHBondContact O-N 3.35Å; S528-Y530 PolarHBondContact OG-O 2.92Å; S528-S534 PolarHBondContact OG-N 3.49Å
529P69.6Low78Confident110 Ų11054 Ų5471%0.71429%0.287SS*.SBendtrans-69.1-17.1175.329.1-34.9000113.1
530Y73.1Confident77.8Confident162 Ų16256.8 Ų56.864%0.63530%0.3SS*.SBendtrans-82.1135.3179.7-61.6-76.6000111.9S528 G532 D533S528-Y530 PolarHBondContact O-N 3.35Å; S528-Y530 PolarHBondContact OG-O 2.92Å; Y530-G532 PolarHBondContact O-N 3.37Å; Y530-D533 WeakPolarHBondContact CB-OD2 3.28Å
531I70.8Confident77.7Confident137 Ų13756 Ų5670%0.70329%0.294SS*.THydrogen-bonded Turntrans-69.5121-177.3-59.9168.5000109.6
532G73.8Confident77.6Confident15 Ų1555.9 Ų55.916%0.15529%0.293CS..THydrogen-bonded Turntrans87.7-8173.200000115.5Y530 K536Y530-G532 PolarHBondContact O-N 3.37Å; G532-K536 VanDerWaalsContact O-CG 3.32Å; G532-K536 WeakPolarHBondContact O-CG 3.36Å; G532-K536 PolarHBondContact O-N 3.13Å
533D78.7Confident77.3Confident75 Ų7558.4 Ų58.440%0.40130%0.298SS..Hα-helixtrans-72.8-38.1175.9-76.2-14000111.7Y530 E535 K536 A537Y530-D533 WeakPolarHBondContact CB-OD2 3.28Å; D533-E535 PolarHBondContact O-N 2.76Å; D533-K536 PolarHBondContact O-N 3.4Å; D533-A537 VanDerWaalsContact O-CB 3.26Å; D533-A537 WeakPolarHBondContact O-CB 3.39Å; D533-A537 PolarHBondContact O-N 3.44Å
534S80.7Confident77.4Confident2 Ų260.1 Ų60.11%0.01431%0.305CS..Hα-helixtrans-63.1-39.5174.855.50000112.5L526 S528 A537 L538 V574 L578L526-S534 WeakPolarHBondContact O-CB 3.41Å; S528-S534 PolarHBondContact OG-N 3.49Å; S534-A537 PolarHBondContact O-N 2.9Å; S534-L538 PolarHBondContact O-N 3.27Å; S534-V574 WeakPolarHBondContact OG-CG1 3.45Å; S534-L578 VanDerWaalsContact C-CD2 3.41Å; S534-L578 WeakPolarHBondContact O-CD2 3.39Å
535E80.8Confident77.6Confident50 Ų5057 Ų5723%0.23428%0.28CS..Hα-helixtrans-66.2-46.2176.8-67.7172.9-156.300111.4D533 A537 L538 A539 R577 L578 V581D533-E535 PolarHBondContact O-N 2.76Å; E535-A537 VanDerWaalsContact C-N 3.31Å; E535-A537 PolarHBondContact O-N 2.99Å; E535-L538 PolarHBondContact O-N 3.4Å; E535-A539 PolarHBondContact O-N 3.04Å; E535-R577 HydrophobicContact CG-CB 4.49Å; E535-R577 WeakPolarHBondContact OE1-CB 3.3Å; E535-R577 VanDerWaalsContact OE1-CD 3.25Å; E535-R577 WeakPolarHBondContact OE1-CD 3.41Å; E535-L578 HydrophobicContact CB-CD2 4.39Å; E535-L578 HydrophobicContact CG-CD2 3.9Å; E535-L578 HydrophobicContact CG-CG 4.44Å; E535-V581 HydrophobicContact CB-CG2 4.25Å; E535-V581 HydrophobicContact CG-CG2 4.15Å
536K79.4Confident77.7Confident142 Ų14257.7 Ų57.762%0.61728%0.276SS*.Hα-helixtrans-63.1-39.8175.9-72.4172.5-172.9167.70111.5G532 D533 A539 Q540G532-K536 VanDerWaalsContact O-CG 3.32Å; G532-K536 WeakPolarHBondContact O-CG 3.36Å; G532-K536 PolarHBondContact O-N 3.13Å; D533-K536 PolarHBondContact O-N 3.4Å; K536-A539 PolarHBondContact O-N 3.48Å; K536-Q540 VanDerWaalsContact O-CB 3.24Å; K536-Q540 WeakPolarHBondContact O-CB 3.3Å; K536-Q540 PolarHBondContact O-N 2.97Å
537A79.9Confident77.6Confident13 Ų1358.7 Ų58.711%0.10729%0.286CS..Hα-helixtrans-62.6-45.1177.800000111.4L445 L526 D533 S534 E535 Q540 L541L445-A537 HydrophobicContact CD1-CB 4.12Å; L445-A537 HydrophobicContact CD2-CB 4.02Å; L526-A537 HydrophobicContact CD2-CB 4.38Å; D533-A537 VanDerWaalsContact O-CB 3.26Å; D533-A537 WeakPolarHBondContact O-CB 3.39Å; D533-A537 PolarHBondContact O-N 3.44Å; S534-A537 PolarHBondContact O-N 2.9Å; E535-A537 VanDerWaalsContact C-N 3.31Å; E535-A537 PolarHBondContact O-N 2.99Å; A537-Q540 PolarHBondContact O-N 3.1Å; A537-L541 WeakPolarHBondContact O-CB 3.26Å; A537-L541 PolarHBondContact O-N 2.91Å
538L83.2Confident77.6Confident8 Ų851.4 Ų51.44%0.04226%0.258CS..Hα-helixtrans-63-46.9176.2-171.667.2000111.8L526 S534 E535 Q540 L541 F542 V581 L582L526-L538 HydrophobicContact CD1-CD1 3.99Å; S534-L538 PolarHBondContact O-N 3.27Å; E535-L538 PolarHBondContact O-N 3.4Å; L538-Q540 VanDerWaalsContact C-N 3.29Å; L538-Q540 PolarHBondContact O-N 3.18Å; L538-L541 HydrophobicContact CD1-CD2 4.35Å; L538-L541 WeakPolarHBondContact O-CB 3.39Å; L538-L541 PolarHBondContact O-N 3.09Å; L538-F542 HydrophobicContact CD1-CD2 4.24Å; L538-F542 HydrophobicContact CD1-CE2 3.8Å; L538-F542 HydrophobicContact CG-CD2 4.14Å; L538-F542 HydrophobicContact CG-CE2 3.98Å; L538-F542 WeakPolarHBondContact O-CD2 3.31Å; L538-F542 PolarHBondContact O-N 3.19Å; L538-F542 VanDerWaalsContact O-N 3.08Å; L538-V581 HydrophobicContact CD2-CB 4.41Å; L538-V581 HydrophobicContact CD2-CG1 4.14Å; L538-L582 HydrophobicContact CD1-CD1 4.38Å; L538-L582 HydrophobicContact CD2-CB 3.83Å; L538-L582 HydrophobicContact CD2-CD1 4.2Å
539A80.6Confident77.6Confident20 Ų2050.7 Ų50.717%0.16525%0.254CS..Hα-helixtrans-61.5-38.6176.500000112.1E535 K536 R543E535-A539 PolarHBondContact O-N 3.04Å; K536-A539 PolarHBondContact O-N 3.48Å; A539-R543 WeakPolarHBondContact O-CB 3.32Å; A539-R543 PolarHBondContact O-N 3.18Å
540Q79Confident78Confident63 Ų6347.8 Ų47.829%0.29424%0.235SC..Hα-helixtrans-65.7-39.6175.3-178.2174.8-19.700111.9K536 A537 L538 R543 Q544K536-Q540 VanDerWaalsContact O-CB 3.24Å; K536-Q540 WeakPolarHBondContact O-CB 3.3Å; K536-Q540 PolarHBondContact O-N 2.97Å; A537-Q540 PolarHBondContact O-N 3.1Å; L538-Q540 VanDerWaalsContact C-N 3.29Å; L538-Q540 PolarHBondContact O-N 3.18Å; Q540-R543 PolarHBondContact O-N 3.32Å; Q540-Q544 HydrophobicContact CG-CG 4.47Å; Q540-Q544 WeakPolarHBondContact O-CB 3.39Å; Q540-Q544 WeakPolarHBondContact O-CG 3.06Å; Q540-Q544 PolarHBondContact O-N 3.16Å
541L81.9Confident78.4Confident4 Ų440.1 Ų40.12%0.02121%0.205CC..Hα-helixtrans-60.7-48.3176.4179.569.7000111.4V521 A537 L538 R543 Q544 A545 L553 L555V521-L541 HydrophobicContact CB-CD2 4.02Å; V521-L541 HydrophobicContact CG1-CD2 4.33Å; V521-L541 HydrophobicContact CG2-CD1 3.48Å; V521-L541 VanDerWaalsContact CG2-CD1 3.48Å; V521-L541 HydrophobicContact CG2-CD2 3.5Å; V521-L541 VanDerWaalsContact CG2-CD2 3.5Å; V521-L541 HydrophobicContact CG2-CG 4.11Å; A537-L541 WeakPolarHBondContact O-CB 3.26Å; A537-L541 PolarHBondContact O-N 2.91Å; L538-L541 HydrophobicContact CD1-CD2 4.35Å; L538-L541 WeakPolarHBondContact O-CB 3.39Å; L538-L541 PolarHBondContact O-N 3.09Å; L541-R543 VanDerWaalsContact C-N 3.32Å; L541-R543 PolarHBondContact O-N 3.02Å; L541-Q544 PolarHBondContact O-N 3.42Å; L541-A545 WeakPolarHBondContact O-CB 3.35Å; L541-A545 PolarHBondContact O-N 3.28Å; L541-L553 HydrophobicContact CD1-CD1 3.97Å; L541-L553 HydrophobicContact CD2-CD1 3.83Å; L541-L553 HydrophobicContact CG-CD1 3.76Å; L541-L555 HydrophobicContact CD2-CD2 4.26Å
542F82.3Confident79.1Confident1 Ų133.6 Ų33.60%0.00417%0.172CC..Hα-helixtrans-63.7-37.1175.4-81.6-79.1000112.1L538 A545 R546 L553 L582 E585 M586 I589 V629L538-F542 HydrophobicContact CD1-CD2 4.24Å; L538-F542 HydrophobicContact CD1-CE2 3.8Å; L538-F542 HydrophobicContact CG-CD2 4.14Å; L538-F542 HydrophobicContact CG-CE2 3.98Å; L538-F542 WeakPolarHBondContact O-CD2 3.31Å; L538-F542 PolarHBondContact O-N 3.19Å; L538-F542 VanDerWaalsContact O-N 3.08Å; F542-A545 PolarHBondContact O-N 2.99Å; F542-R546 WeakPolarHBondContact O-CB 3.49Å; F542-R546 VanDerWaalsContact O-CG 3.26Å; F542-R546 WeakPolarHBondContact O-CG 3.44Å; F542-R546 PolarHBondContact O-N 3.28Å; F542-L553 HydrophobicContact CD1-CD2 3.73Å; F542-L553 HydrophobicContact CE1-CD2 3.34Å; F542-L553 HydrophobicContact CE2-CD2 4.19Å; F542-L553 HydrophobicContact CG-CD2 4.3Å; F542-L553 HydrophobicContact CZ-CD2 3.6Å; F542-L582 HydrophobicContact CE2-CD1 3.55Å; F542-L582 HydrophobicContact CZ-CD1 3.54Å; F542-E585 HydrophobicContact CB-CB 4.32Å; F542-E585 HydrophobicContact CB-CG 4.33Å; F542-E585 HydrophobicContact CD1-CB 4.2Å; F542-E585 HydrophobicContact CD2-CB 3.67Å; F542-E585 HydrophobicContact CD2-CG 3.93Å; F542-E585 HydrophobicContact CE1-CB 4.46Å; F542-E585 HydrophobicContact CE2-CB 3.99Å; F542-E585 HydrophobicContact CG-CB 3.8Å; F542-E585 HydrophobicContact CG-CG 4.2Å; F542-E585 HydrophobicContact CZ-CB 4.38Å; F542-M586 HydrophobicContact CZ-CG 4.4Å; F542-I589 HydrophobicContact CD1-CD1 3.99Å; F542-I589 HydrophobicContact CE1-CD1 3.77Å; F542-V629 HydrophobicContact CE1-CG2 3.94Å
543R77.3Confident79.8Confident86 Ų8632.9 Ų32.933%0.32516%0.164SC..Hα-helixtrans-64.1-42.4174.3-167-175.3-60.1123.79.5111.8D340 A539 Q540 L541 R546 A547D340-R543 IonicContact OD2-CZ 2.77Å; D340-R543 IonicContact OD2-NE 3.69Å; D340-R543 PolarHBondContact OD2-NE 3.07Å; D340-R543 IonicContact OD2-NH2 3.65Å; D340-R543 PolarHBondContact OD2-NH2 3.06Å; A539-R543 WeakPolarHBondContact O-CB 3.32Å; A539-R543 PolarHBondContact O-N 3.18Å; Q540-R543 PolarHBondContact O-N 3.32Å; L541-R543 VanDerWaalsContact C-N 3.32Å; L541-R543 PolarHBondContact O-N 3.02Å; R543-R546 PolarHBondContact O-N 2.69Å; R543-A547 WeakPolarHBondContact O-CB 3.27Å; R543-A547 PolarHBondContact O-N 3.43Å
544Q77.1Confident80.4Confident38 Ų3829.4 Ų29.418%0.17815%0.145CC..Hα-helixtrans-64.3-43.4175.5-75.6174.5-27.100111.2Q540 L541 R546 A547 C548Q540-Q544 HydrophobicContact CG-CG 4.47Å; Q540-Q544 WeakPolarHBondContact O-CB 3.39Å; Q540-Q544 WeakPolarHBondContact O-CG 3.06Å; Q540-Q544 PolarHBondContact O-N 3.16Å; L541-Q544 PolarHBondContact O-N 3.42Å; Q544-R546 VanDerWaalsContact C-N 3.33Å; Q544-R546 PolarHBondContact O-N 3.26Å; Q544-A547 PolarHBondContact O-N 2.83Å; Q544-C548 PolarHBondContact O-N 3.49Å; Q544-C548 PolarHBondContact O-SG 3.24Å
545A80.2Confident80.8Confident0 Ų029.5 Ų29.50%015%0.146CC..Hα-helixtrans-59.1-43.917500000111.7L519 L541 F542 A547 C548 A549 V627L519-A545 HydrophobicContact CD1-CB 3.69Å; L541-A545 WeakPolarHBondContact O-CB 3.35Å; L541-A545 PolarHBondContact O-N 3.28Å; F542-A545 PolarHBondContact O-N 2.99Å; A545-A547 PolarHBondContact O-N 3.37Å; A545-C548 CarbonylContact O-C 3.58Å; A545-C548 PolarHBondContact O-N 3.2Å; A545-A549 PolarHBondContact O-N 3.18Å; A545-V627 HydrophobicContact CB-CG1 3.84Å; A545-V627 HydrophobicContact CB-CG2 4.16Å; A545-V627 WeakPolarHBondContact O-CG2 3.38Å
546R78.2Confident81.1Confident92 Ų9228.7 Ų28.735%0.34714%0.143SC..Hα-helixtrans-63-39.9175-72.2171.8-173.3141.15.7112.5F542 R543 Q544 C548 A549 E585 V627F542-R546 WeakPolarHBondContact O-CB 3.49Å; F542-R546 VanDerWaalsContact O-CG 3.26Å; F542-R546 WeakPolarHBondContact O-CG 3.44Å; F542-R546 PolarHBondContact O-N 3.28Å; R543-R546 PolarHBondContact O-N 2.69Å; Q544-R546 VanDerWaalsContact C-N 3.33Å; Q544-R546 PolarHBondContact O-N 3.26Å; R546-C548 VanDerWaalsContact C-N 3.27Å; R546-C548 PolarHBondContact O-N 3.21Å; R546-A549 WeakPolarHBondContact O-CB 3.44Å; R546-A549 PolarHBondContact O-N 3.29Å; R546-E585 IonicContact CZ-OE2 3.66Å; R546-E585 IonicContact NH1-OE2 3.73Å; R546-E585 PolarHBondContact NH1-OE2 3.48Å; R546-E585 PolarHBondContact NH2-O 3.06Å; R546-E585 IonicContact NH2-OE2 3.7Å; R546-E585 PolarHBondContact NH2-OE2 2.77Å; R546-V627 HydrophobicContact CB-CG2 4.45Å; R546-V627 HydrophobicContact CG-CG2 4.03Å
547A74.3Confident81.4Confident28 Ų2825.9 Ų25.923%0.23113%0.132CC..Hα-helixtrans-68.8-27.5177.900000112.7P233 A360 R543 Q544 A545P233-A547 HydrophobicContact CG-CB 4.42Å; A360-A547 VanDerWaalsContact CB-O 3.3Å; A360-A547 WeakPolarHBondContact CB-O 3.37Å; A360-A547 PolarHBondContact N-O 2.78Å; R543-A547 WeakPolarHBondContact O-CB 3.27Å; R543-A547 PolarHBondContact O-N 3.43Å; Q544-A547 PolarHBondContact O-N 2.83Å; A545-A547 PolarHBondContact O-N 3.37Å
548C74.2Confident81.6Confident7 Ų725.4 Ų25.45%0.04713%0.128CC..THydrogen-bonded Turntrans-97.111.5-179.8-57.20000113.7C440 A517 Q544 A545 R546 P550 C551C440-C548 VanDerWaalsContact CB-SG 3.59Å; A517-C548 HydrophobicContact CB-CB 4.22Å; Q544-C548 PolarHBondContact O-N 3.49Å; Q544-C548 PolarHBondContact O-SG 3.24Å; A545-C548 CarbonylContact O-C 3.58Å; A545-C548 PolarHBondContact O-N 3.2Å; R546-C548 VanDerWaalsContact C-N 3.27Å; R546-C548 PolarHBondContact O-N 3.21Å; C548-P550 CarbonylContact O-C 3.25Å; C548-C551 HydrophobicContact CB-CB 4.5Å
549A73.9Confident81.4Confident11 Ų1126.4 Ų26.49%0.09113%0.133CC..  trans-58.2137.5-178.400000111.2A545 R546 N624A545-A549 PolarHBondContact O-N 3.18Å; R546-A549 WeakPolarHBondContact O-CB 3.44Å; R546-A549 PolarHBondContact O-N 3.29Å; A549-N624 WeakPolarHBondContact CB-O 3.49Å
550P78.9Confident81.1Confident49 Ų4928.2 Ų28.232%0.31815%0.145SC..SBendcis-76.1126430.4-35.1000113.9A517 C548 D626A517-P550 PolarHBondContact N-O 3.18Å; C548-P550 CarbonylContact O-C 3.25Å; P550-D626 WeakPolarHBondContact CA-O 3.43Å
551C81.3Confident80.8Confident2 Ų226.2 Ų26.21%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-136.9140.7-172.2-1740000112.6A517 C548 D626 V627 M628A517-C551 HydrophobicContact CB-CB 4.13Å; A517-C551 CarbonylContact O-C 3.54Å; A517-C551 WeakPolarHBondContact O-CA 3.34Å; A517-C551 PolarHBondContact O-SG 2.88Å; C548-C551 HydrophobicContact CB-CB 4.5Å; C551-D626 PolarHBondContact N-O 3.49Å; C551-D626 VanDerWaalsContact N-O 3.08Å; C551-V627 WeakPolarHBondContact O-CA 3.44Å; C551-M628 PolarHBondContact O-N 3.29Å
552V86.6Confident80.1Confident0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-100.3115.1168.4179.40000108.4I472 V507 A511 C516 A517 F518 L519 V630I472-V552 HydrophobicContact CG2-CG2 4.13Å; V507-V552 HydrophobicContact CG1-CG1 4.22Å; A511-V552 HydrophobicContact CB-CB 4.36Å; A511-V552 HydrophobicContact CB-CG2 4.38Å; C516-V552 HydrophobicContact CB-CG2 4.24Å; A517-V552 PolarHBondContact O-N 3.32Å; F518-V552 HydrophobicContact CD2-CG1 4.47Å; L519-V552 PolarHBondContact N-O 2.89Å; V552-V630 HydrophobicContact CG1-CB 4.49Å; V552-V630 HydrophobicContact CG1-CG2 3.83Å
553L88.6Confident79.1Confident0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-93.3109.6173.9-179.565000109.3L519 L541 F542 L555 V627 M628 V629 V630L519-L553 HydrophobicContact CB-CD1 3.84Å; L541-L553 HydrophobicContact CD1-CD1 3.97Å; L541-L553 HydrophobicContact CD2-CD1 3.83Å; L541-L553 HydrophobicContact CG-CD1 3.76Å; F542-L553 HydrophobicContact CD1-CD2 3.73Å; F542-L553 HydrophobicContact CE1-CD2 3.34Å; F542-L553 HydrophobicContact CE2-CD2 4.19Å; F542-L553 HydrophobicContact CG-CD2 4.3Å; F542-L553 HydrophobicContact CZ-CD2 3.6Å; L553-L555 HydrophobicContact CG-CD2 4.37Å; L553-V627 HydrophobicContact CB-CG1 4.26Å; L553-M628 PolarHBondContact N-O 3.05Å; L553-V629 HydrophobicContact CD2-CG2 4.5Å; L553-V630 PolarHBondContact O-N 3.42Å
554F90.3Very high78.2Confident1 Ų125.8 Ų25.80%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-98.4115.2178.7-178-115.3000111.4T504 V507 F518 L519 S520 V521 D556 V630 A632T504-F554 HydrophobicContact CG2-CE1 3.68Å; T504-F554 HydrophobicContact CG2-CZ 4.27Å; V507-F554 HydrophobicContact CB-CD2 3.91Å; V507-F554 HydrophobicContact CB-CE2 4.05Å; V507-F554 HydrophobicContact CB-CG 4.46Å; V507-F554 HydrophobicContact CG1-CB 4.3Å; V507-F554 HydrophobicContact CG1-CD2 3.7Å; V507-F554 HydrophobicContact CG1-CE2 4.33Å; V507-F554 HydrophobicContact CG1-CG 4.14Å; V507-F554 HydrophobicContact CG2-CD2 3.82Å; V507-F554 HydrophobicContact CG2-CE2 3.61Å; V507-F554 HydrophobicContact CG2-CZ 4.46Å; F518-F554 HydrophobicContact CD2-CB 4.49Å; F518-F554 HydrophobicContact CE2-CB 3.52Å; F518-F554 HydrophobicContact CE2-CD1 4.48Å; F518-F554 HydrophobicContact CE2-CG 4.11Å; F518-F554 HydrophobicContact CZ-CB 3.72Å; F518-F554 AromaticContact CZ-CD1 3.94Å; F518-F554 HydrophobicContact CZ-CD1 3.94Å; F518-F554 HydrophobicContact CZ-CG 4.04Å; L519-F554 PolarHBondContact O-N 3.38Å; S520-F554 WeakPolarHBondContact CA-O 3.48Å; V521-F554 PolarHBondContact N-O 3.3Å; F554-D556 HydrophobicContact CD1-CB 4.21Å; F554-D556 HydrophobicContact CE1-CB 3.48Å; F554-D556 VanDerWaalsContact CE1-CB 3.48Å; F554-D556 VanDerWaalsContact CE1-CG 3.49Å; F554-D556 WeakPolarHBondContact CE1-OD2 3.19Å; F554-D556 HydrophobicContact CZ-CB 3.91Å; F554-V630 CarbonylContact C-O 3.53Å; F554-V630 VanDerWaalsContact CA-O 3.27Å; F554-V630 WeakPolarHBondContact CA-O 3.43Å; F554-V630 HydrophobicContact CD2-CB 4.18Å; F554-V630 HydrophobicContact CD2-CG1 4.07Å; F554-V630 WeakPolarHBondContact CD2-O 3.24Å; F554-V630 HydrophobicContact CE2-CG1 4.42Å; F554-A632 HydrophobicContact CE2-CB 3.71Å; F554-A632 HydrophobicContact CZ-CB 3.72Å
555L88.4Confident77.2Confident4 Ų431.8 Ų31.82%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-101.2101.1174.3-59.4176.8000108.5V521 L541 L553 I558 L582 V629 V630 A631 A632V521-L555 HydrophobicContact CB-CD2 4.47Å; L541-L555 HydrophobicContact CD2-CD2 4.26Å; L553-L555 HydrophobicContact CG-CD2 4.37Å; L555-I558 HydrophobicContact CD1-CD1 4.44Å; L555-L582 HydrophobicContact CD1-CD1 4.02Å; L555-V629 HydrophobicContact CD1-CG1 4.03Å; L555-V630 PolarHBondContact N-O 2.79Å; L555-A631 CarbonylContact O-C 3.59Å; L555-A631 WeakPolarHBondContact O-CA 3.17Å; L555-A632 PolarHBondContact O-N 3.11Å
556D87.4Confident75.8Confident34 Ų3435.8 Ų35.818%0.18220%0.2CC..EExtended strand (participates in β ladder)trans-85.9147.6177.5-147.6-11.4000111T504 V521 G523 F554 I558T504-D556 PolarHBondContact OG1-OD2 3.47Å; V521-D556 PolarHBondContact O-N 2.96Å; G523-D556 PolarHBondContact N-O 3.19Å; F554-D556 HydrophobicContact CD1-CB 4.21Å; F554-D556 HydrophobicContact CE1-CB 3.48Å; F554-D556 VanDerWaalsContact CE1-CB 3.48Å; F554-D556 VanDerWaalsContact CE1-CG 3.49Å; F554-D556 WeakPolarHBondContact CE1-OD2 3.19Å; F554-D556 HydrophobicContact CZ-CB 3.91Å; D556-I558 VanDerWaalsContact C-N 3.3Å; D556-I558 PolarHBondContact O-N 3.07Å
557E85.3Confident74.4Confident82 Ų8238.7 Ų38.738%0.38322%0.223SC..  trans50.148.2179.2-57.1-175.1149.800113D559 S560 A632E557-D559 PolarHBondContact O-N 3.09Å; E557-S560 WeakPolarHBondContact O-CB 3.48Å; E557-S560 PolarHBondContact O-N 2.85Å; E557-S560 PolarHBondContact O-OG 3.34Å; E557-A632 PolarHBondContact N-O 2.75Å
558I83.9Confident73.2Confident3 Ų344.2 Ų44.22%0.01525%0.254CS..Hα-helixtrans-59.8-22.3-178.1-161175.4000112.7L555 D556 S560 L561 I562 L582 A631 A632 I639 L643L555-I558 HydrophobicContact CD1-CD1 4.44Å; D556-I558 VanDerWaalsContact C-N 3.3Å; D556-I558 PolarHBondContact O-N 3.07Å; I558-S560 VanDerWaalsContact C-N 3.25Å; I558-S560 PolarHBondContact O-N 2.84Å; I558-L561 PolarHBondContact O-N 2.92Å; I558-I562 HydrophobicContact CD1-CD1 3.77Å; I558-I562 HydrophobicContact CG1-CD1 3.6Å; I558-I562 HydrophobicContact CG1-CG1 4.29Å; I558-I562 PolarHBondContact O-N 2.81Å; I558-L582 HydrophobicContact CD1-CD2 4.2Å; I558-A631 HydrophobicContact CD1-CB 4Å; I558-A631 HydrophobicContact CG2-CB 4.44Å; I558-A632 PolarHBondContact N-O 3.44Å; I558-A632 VanDerWaalsContact N-O 3.16Å; I558-I639 HydrophobicContact CG2-CD1 4.11Å; I558-I639 HydrophobicContact CG2-CG1 4.47Å; I558-L643 HydrophobicContact CD1-CD1 3.98Å
559D79.8Confident71.9Confident29 Ų2947 Ų4716%0.15528%0.283CS..Hα-helixtrans-66.6-20.7173.249.4-54.5000113.9E557 T633 R635 C638E557-D559 PolarHBondContact O-N 3.09Å; D559-T633 VanDerWaalsContact CG-OG1 3.23Å; D559-T633 PolarHBondContact OD1-OG1 3.32Å; D559-R635 HydrophobicContact CB-CB 4.39Å; D559-C638 HydrophobicContact CB-CB 4.28Å
560S75Confident71Confident59 Ų5951.5 Ų51.541%0.41331%0.309SS..Hα-helixtrans-74.7-29.4172.268.30000112.8G523 E557 I558G523-S560 WeakPolarHBondContact CA-OG 3.45Å; E557-S560 WeakPolarHBondContact O-CB 3.48Å; E557-S560 PolarHBondContact O-N 2.85Å; E557-S560 PolarHBondContact O-OG 3.34Å; I558-S560 VanDerWaalsContact C-N 3.25Å; I558-S560 PolarHBondContact O-N 2.84Å
561L71.2Confident69.8Low20 Ų2055 Ų5511%0.10533%0.332CS..Hα-helixtrans-82.5-37.6177.7-64.2171.8000112G523 L526 I558G523-L561 VanDerWaalsContact CA-CG 3.47Å; G523-L561 WeakPolarHBondContact O-CD2 3.32Å; L526-L561 HydrophobicContact CB-CD2 3.88Å; L526-L561 HydrophobicContact CD1-CD1 3.74Å; L526-L561 HydrophobicContact CD1-CD2 4.2Å; I558-L561 PolarHBondContact O-N 2.92Å
562I67.8Low68.6Low7 Ų760.3 Ų60.34%0.03636%0.361CS..  trans-116.482.3-168.7-52173.8000107.3I558 L579 L582 D640 L643I558-I562 HydrophobicContact CD1-CD1 3.77Å; I558-I562 HydrophobicContact CG1-CD1 3.6Å; I558-I562 HydrophobicContact CG1-CG1 4.29Å; I558-I562 PolarHBondContact O-N 2.81Å; I562-L579 HydrophobicContact CD1-CD1 3.72Å; I562-L579 HydrophobicContact CG1-CD1 4.11Å; I562-L579 HydrophobicContact CG2-CD1 3.98Å; I562-L582 HydrophobicContact CD1-CD2 3.92Å; I562-D640 HydrophobicContact CG2-CB 4.05Å; I562-L643 HydrophobicContact CD1-CD1 3.25Å; I562-L643 HydrophobicContact CD1-CG 4.42Å
563G60.8Low67.9Low34 Ų3462 Ų6235%0.35137%0.372SS..  trans-62.1139.8163.100000109.3R565G563-R565 PolarHBondContact O-N 2.72Å
564S59.2Low67.1Low42 Ų4264.2 Ų64.229%0.29439%0.386SS..  trans-55.3132.9173.845.80000109.6S566 D567 C638S564-S566 VanDerWaalsContact CB-OG 3.32Å; S564-S566 WeakPolarHBondContact CB-OG 3.45Å; S564-S566 PolarHBondContact O-N 2.85Å; S564-S566 PolarHBondContact OG-OG 3.08Å; S564-S566 VanDerWaalsContact OG-OG 3.07Å; S564-D567 PolarHBondContact O-N 3.43Å; S564-C638 PolarHBondContact N-O 3.45Å
565R56.3Low66.4Low163 Ų16367.8 Ų67.862%0.61540%0.403SS*.THydrogen-bonded Turntrans-56.2-2.1175.9-67.7-177.5-175.4-157.9-7.1114.4G563 D640G563-R565 PolarHBondContact O-N 2.72Å; R565-D640 IonicContact CZ-OD2 3.46Å; R565-D640 IonicContact NE-OD2 2.8Å; R565-D640 PolarHBondContact NE-OD2 3.22Å; R565-D640 IonicContact NH2-OD2 2.73Å; R565-D640 PolarHBondContact NH2-OD2 2.69Å
566S49.7Very low65.9Low84 Ų8470 Ų7059%0.58742%0.416SS*.THydrogen-bonded Turntrans-82.3-7.2-179.354.20000115S564 V568S564-S566 VanDerWaalsContact CB-OG 3.32Å; S564-S566 WeakPolarHBondContact CB-OG 3.45Å; S564-S566 PolarHBondContact O-N 2.85Å; S564-S566 PolarHBondContact OG-OG 3.08Å; S564-S566 VanDerWaalsContact OG-OG 3.07Å; S566-V568 PolarHBondContact O-N 2.76Å; S566-V568 VanDerWaalsContact O-N 3.14Å
567D49.1Very low65.5Low153 Ų15372.8 Ų72.882%0.81842%0.424SS*.SBendtrans-82.890.1167.2-94.9-9.9000110.1S564 G569S564-D567 PolarHBondContact O-N 3.43Å; D567-G569 PolarHBondContact O-N 3.18Å
568V49.7Very low65.3Low145 Ų14569.6 Ų69.688%0.87941%0.41SS*.  trans-56.7117.9-179.6175.60000111.1S566S566-V568 PolarHBondContact O-N 2.76Å; S566-V568 VanDerWaalsContact O-N 3.14Å
569G46.1Very low65.2Low64 Ų6469.8 Ų69.866%0.6641%0.411SS*.SBendtrans164.3-27.5157.800000119.7D567D567-G569 PolarHBondContact O-N 3.18Å
570T56.1Low65.4Low106 Ų10671 Ų7165%0.6542%0.422SS*.  trans-137109.5-17740.30000113.5N572T570-N572 PolarHBondContact O-N 2.89Å
571P53.3Low66Low123 Ų12369.7 Ų69.780%0.79941%0.411SS*.THydrogen-bonded Turntrans-73.37.9-17830.5-34.9000114.1
572N57.1Low66.6Low113 Ų11369 Ų6960%0.60441%0.408SS*.THydrogen-bonded Turntrans-129.123.8-174.5-107.6-13.3000112.7T570 V574 R577T570-N572 PolarHBondContact O-N 2.89Å; N572-V574 PolarHBondContact O-N 2.85Å; N572-R577 VanDerWaalsContact CG-NH2 3.34Å; N572-R577 PolarHBondContact OD1-NH2 3.38Å
573S70.9Confident67.5Low35 Ų3569.4 Ų69.425%0.24541%0.41CS..  trans-65.7137.3174.673.50000110.1Q575 T576S573-Q575 PolarHBondContact O-N 3.31Å; S573-T576 PolarHBondContact O-N 2.74Å; S573-T576 PolarHBondContact O-OG1 2.75Å
574V72.3Confident68.6Low47 Ų4773.3 Ų73.329%0.28542%0.422SS..Hα-helixtrans-50.9-32.7176.91770000111.2S534 N572 T576 R577 L578S534-V574 WeakPolarHBondContact OG-CG1 3.45Å; N572-V574 PolarHBondContact O-N 2.85Å; V574-T576 PolarHBondContact O-N 3.49Å; V574-R577 PolarHBondContact O-N 3.25Å; V574-L578 HydrophobicContact CG1-CD1 3.93Å; V574-L578 HydrophobicContact CG1-CG 4.27Å; V574-L578 WeakPolarHBondContact O-CG 3.44Å; V574-L578 PolarHBondContact O-N 3.01Å
575Q74.2Confident69.8Low77 Ų7773.1 Ų73.136%0.3642%0.417SS..Hα-helixtrans-61.3-42178.1-65.1175.5-15.100113.6S573 R577 L578 L579S573-Q575 PolarHBondContact O-N 3.31Å; Q575-R577 VanDerWaalsContact C-N 3.33Å; Q575-R577 PolarHBondContact O-N 3.32Å; Q575-L578 PolarHBondContact O-N 2.99Å; Q575-L579 WeakPolarHBondContact O-CB 3.5Å; Q575-L579 PolarHBondContact O-N 3.23Å
576T78.7Confident70.9Confident50 Ų5065.8 Ų65.831%0.30739%0.39SS..Hα-helixtrans-66.9-35179.757.10000112.8S573 V574 S580S573-T576 PolarHBondContact O-N 2.74Å; S573-T576 PolarHBondContact O-OG1 2.75Å; V574-T576 PolarHBondContact O-N 3.49Å; T576-S580 PolarHBondContact O-N 3.41Å; T576-S580 PolarHBondContact O-OG 2.93Å
577R79.7Confident72.3Confident92 Ų9265 Ų6535%0.34738%0.379SS..Hα-helixtrans-72.6-44.1176.7-58.9-178.1-176.8173.30.4111E535 N572 V574 Q575 L579 S580 V581E535-R577 HydrophobicContact CG-CB 4.49Å; E535-R577 WeakPolarHBondContact OE1-CB 3.3Å; E535-R577 VanDerWaalsContact OE1-CD 3.25Å; E535-R577 WeakPolarHBondContact OE1-CD 3.41Å; N572-R577 VanDerWaalsContact CG-NH2 3.34Å; N572-R577 PolarHBondContact OD1-NH2 3.38Å; V574-R577 PolarHBondContact O-N 3.25Å; Q575-R577 VanDerWaalsContact C-N 3.33Å; Q575-R577 PolarHBondContact O-N 3.32Å; R577-L579 VanDerWaalsContact C-N 3.31Å; R577-L579 PolarHBondContact O-N 3.31Å; R577-S580 WeakPolarHBondContact O-CB 3.4Å; R577-S580 PolarHBondContact O-N 3.32Å; R577-V581 WeakPolarHBondContact O-CG2 3.36Å; R577-V581 PolarHBondContact O-N 3.49Å
578L80.8Confident73.3Confident15 Ų1559 Ų598%0.07935%0.353CS..Hα-helixtrans-56.7-44.5172.8-76.1174.6000112.4S534 E535 V574 Q575 S580 V581 L582S534-L578 VanDerWaalsContact C-CD2 3.41Å; S534-L578 WeakPolarHBondContact O-CD2 3.39Å; E535-L578 HydrophobicContact CB-CD2 4.39Å; E535-L578 HydrophobicContact CG-CD2 3.9Å; E535-L578 HydrophobicContact CG-CG 4.44Å; V574-L578 HydrophobicContact CG1-CD1 3.93Å; V574-L578 HydrophobicContact CG1-CG 4.27Å; V574-L578 WeakPolarHBondContact O-CG 3.44Å; V574-L578 PolarHBondContact O-N 3.01Å; Q575-L578 PolarHBondContact O-N 2.99Å; L578-S580 VanDerWaalsContact C-N 3.33Å; L578-S580 PolarHBondContact O-N 3.49Å; L578-V581 PolarHBondContact O-N 3.31Å; L578-L582 WeakPolarHBondContact O-CB 3.49Å; L578-L582 PolarHBondContact O-N 3.38Å
579L82.1Confident74.3Confident8 Ų852.7 Ų52.74%0.04231%0.314CS..Hα-helixtrans-60-44.6174.2179.170.3000111.1I562 Q575 R577 V581 L582 L583 D640 L643I562-L579 HydrophobicContact CD1-CD1 3.72Å; I562-L579 HydrophobicContact CG1-CD1 4.11Å; I562-L579 HydrophobicContact CG2-CD1 3.98Å; Q575-L579 WeakPolarHBondContact O-CB 3.5Å; Q575-L579 PolarHBondContact O-N 3.23Å; R577-L579 VanDerWaalsContact C-N 3.31Å; R577-L579 PolarHBondContact O-N 3.31Å; L579-V581 VanDerWaalsContact C-N 3.32Å; L579-V581 PolarHBondContact O-N 2.81Å; L579-L582 WeakPolarHBondContact O-CB 3.25Å; L579-L582 PolarHBondContact O-N 2.89Å; L579-L583 HydrophobicContact CD1-CD1 4.47Å; L579-L583 HydrophobicContact CD1-CG 4.32Å; L579-L583 HydrophobicContact CG-CD1 4.14Å; L579-L583 HydrophobicContact CG-CG 4.35Å; L579-L583 WeakPolarHBondContact O-CB 3.44Å; L579-L583 VanDerWaalsContact O-CG 3.22Å; L579-L583 WeakPolarHBondContact O-CG 3.42Å; L579-L583 PolarHBondContact O-N 3.05Å; L579-D640 HydrophobicContact CD2-CB 4.21Å; L579-D640 WeakPolarHBondContact CD2-OD2 3.32Å; L579-L643 HydrophobicContact CD1-CD1 4.36Å; L579-L643 HydrophobicContact CD1-CG 4.29Å
580S84.3Confident74.5Confident55 Ų5551.7 Ų51.739%0.38530%0.304SS..Hα-helixtrans-62.3-40.4179.1-56.50000111.8T576 R577 L578 N584T576-S580 PolarHBondContact O-N 3.41Å; T576-S580 PolarHBondContact O-OG 2.93Å; R577-S580 WeakPolarHBondContact O-CB 3.4Å; R577-S580 PolarHBondContact O-N 3.32Å; L578-S580 VanDerWaalsContact C-N 3.33Å; L578-S580 PolarHBondContact O-N 3.49Å; S580-N584 WeakPolarHBondContact O-CB 3.36Å; S580-N584 PolarHBondContact O-N 3.17Å; S580-N584 PolarHBondContact O-ND2 2.92Å
581V86.1Confident73.9Confident30 Ų3053 Ų5318%0.18231%0.306CS..Hα-helixtrans-64.9-46.1173.5175.80000110.7E535 L538 R577 L578 L579 L583 N584 E585E535-V581 HydrophobicContact CB-CG2 4.25Å; E535-V581 HydrophobicContact CG-CG2 4.15Å; L538-V581 HydrophobicContact CD2-CB 4.41Å; L538-V581 HydrophobicContact CD2-CG1 4.14Å; R577-V581 WeakPolarHBondContact O-CG2 3.36Å; R577-V581 PolarHBondContact O-N 3.49Å; L578-V581 PolarHBondContact O-N 3.31Å; L579-V581 VanDerWaalsContact C-N 3.32Å; L579-V581 PolarHBondContact O-N 2.81Å; V581-L583 VanDerWaalsContact C-N 3.33Å; V581-L583 PolarHBondContact O-N 3.49Å; V581-N584 PolarHBondContact O-N 3.39Å; V581-E585 HydrophobicContact CG1-CG 4.21Å; V581-E585 WeakPolarHBondContact O-CB 3.46Å; V581-E585 WeakPolarHBondContact O-CG 3.28Å; V581-E585 PolarHBondContact O-N 2.95Å
582L85.4Confident73.1Confident7 Ų753.5 Ų53.54%0.03730%0.296CS..Hα-helixtrans-57.2-46.5177.3-176.962.2000111.6L538 F542 L555 I558 I562 L578 L579 E585 M586 L643L538-L582 HydrophobicContact CD1-CD1 4.38Å; L538-L582 HydrophobicContact CD2-CB 3.83Å; L538-L582 HydrophobicContact CD2-CD1 4.2Å; F542-L582 HydrophobicContact CE2-CD1 3.55Å; F542-L582 HydrophobicContact CZ-CD1 3.54Å; L555-L582 HydrophobicContact CD1-CD1 4.02Å; I558-L582 HydrophobicContact CD1-CD2 4.2Å; I562-L582 HydrophobicContact CD1-CD2 3.92Å; L578-L582 WeakPolarHBondContact O-CB 3.49Å; L578-L582 PolarHBondContact O-N 3.38Å; L579-L582 WeakPolarHBondContact O-CB 3.25Å; L579-L582 PolarHBondContact O-N 2.89Å; L582-E585 PolarHBondContact O-N 2.84Å; L582-M586 HydrophobicContact CD1-CG 4.33Å; L582-M586 HydrophobicContact CD1-SD 4.3Å; L582-M586 HydrophobicContact CG-SD 4.12Å; L582-M586 WeakPolarHBondContact O-CB 3.33Å; L582-M586 VanDerWaalsContact O-CG 3.26Å; L582-M586 WeakPolarHBondContact O-CG 3.47Å; L582-M586 PolarHBondContact O-N 3.48Å; L582-L643 HydrophobicContact CD2-CD2 4.16Å
583L85.8Confident71.9Confident15 Ų1555.5 Ų55.58%0.07930%0.303CS..Hα-helixtrans-62.8-45177.9-67.5178.5000111.4L579 V581 E585 M586 D587 A642 L643L579-L583 HydrophobicContact CD1-CD1 4.47Å; L579-L583 HydrophobicContact CD1-CG 4.32Å; L579-L583 HydrophobicContact CG-CD1 4.14Å; L579-L583 HydrophobicContact CG-CG 4.35Å; L579-L583 WeakPolarHBondContact O-CB 3.44Å; L579-L583 VanDerWaalsContact O-CG 3.22Å; L579-L583 WeakPolarHBondContact O-CG 3.42Å; L579-L583 PolarHBondContact O-N 3.05Å; V581-L583 VanDerWaalsContact C-N 3.33Å; V581-L583 PolarHBondContact O-N 3.49Å; L583-E585 VanDerWaalsContact C-N 3.34Å; L583-E585 PolarHBondContact O-N 3.15Å; L583-M586 PolarHBondContact O-N 3.39Å; L583-D587 WeakPolarHBondContact O-CB 3.42Å; L583-D587 PolarHBondContact O-N 2.92Å; L583-A642 HydrophobicContact CD1-CB 4Å; L583-A642 HydrophobicContact CD2-CB 4.49Å; L583-L643 HydrophobicContact CD2-CD2 3.55Å; L583-L643 HydrophobicContact CD2-CG 4.19Å
584N84.6Confident70Confident116 Ų11658.9 Ų58.962%0.6232%0.322SS*.Hα-helixtrans-62.1-41.3176.4-73.1-16000112.1S580 V581 G588S580-N584 WeakPolarHBondContact O-CB 3.36Å; S580-N584 PolarHBondContact O-N 3.17Å; S580-N584 PolarHBondContact O-ND2 2.92Å; V581-N584 PolarHBondContact O-N 3.39Å; N584-G588 PolarHBondContact O-N 3.3Å
585E83.6Confident67.9Low38 Ų3862.7 Ų62.718%0.17834%0.337CS..Hα-helixtrans-69.6-38.9179-70.5-63.1159.400111.8F542 R546 V581 L582 L583 G588 I589F542-E585 HydrophobicContact CB-CB 4.32Å; F542-E585 HydrophobicContact CB-CG 4.33Å; F542-E585 HydrophobicContact CD1-CB 4.2Å; F542-E585 HydrophobicContact CD2-CB 3.67Å; F542-E585 HydrophobicContact CD2-CG 3.93Å; F542-E585 HydrophobicContact CE1-CB 4.46Å; F542-E585 HydrophobicContact CE2-CB 3.99Å; F542-E585 HydrophobicContact CG-CB 3.8Å; F542-E585 HydrophobicContact CG-CG 4.2Å; F542-E585 HydrophobicContact CZ-CB 4.38Å; R546-E585 IonicContact CZ-OE2 3.66Å; R546-E585 IonicContact NH1-OE2 3.73Å; R546-E585 PolarHBondContact NH1-OE2 3.48Å; R546-E585 PolarHBondContact NH2-O 3.06Å; R546-E585 IonicContact NH2-OE2 3.7Å; R546-E585 PolarHBondContact NH2-OE2 2.77Å; V581-E585 HydrophobicContact CG1-CG 4.21Å; V581-E585 WeakPolarHBondContact O-CB 3.46Å; V581-E585 WeakPolarHBondContact O-CG 3.28Å; V581-E585 PolarHBondContact O-N 2.95Å; L582-E585 PolarHBondContact O-N 2.84Å; L583-E585 VanDerWaalsContact C-N 3.34Å; L583-E585 PolarHBondContact O-N 3.15Å; E585-G588 PolarHBondContact O-N 3.38Å; E585-I589 WeakPolarHBondContact O-CG1 3.28Å; E585-I589 PolarHBondContact O-N 3.03Å
586M80Confident65.6Low8 Ų870.6 Ų70.64%0.03936%0.363CS..Hα-helixtrans-66.8-45.1175.2-73.6-176.972.500112.3F542 L582 L583 G588 I589 L643 R648 L649F542-M586 HydrophobicContact CZ-CG 4.4Å; L582-M586 HydrophobicContact CD1-CG 4.33Å; L582-M586 HydrophobicContact CD1-SD 4.3Å; L582-M586 HydrophobicContact CG-SD 4.12Å; L582-M586 WeakPolarHBondContact O-CB 3.33Å; L582-M586 VanDerWaalsContact O-CG 3.26Å; L582-M586 WeakPolarHBondContact O-CG 3.47Å; L582-M586 PolarHBondContact O-N 3.48Å; L583-M586 PolarHBondContact O-N 3.39Å; M586-G588 PolarHBondContact O-N 2.91Å; M586-I589 WeakPolarHBondContact O-CB 3.37Å; M586-I589 PolarHBondContact O-N 3.34Å; M586-L643 HydrophobicContact SD-CD2 3.84Å; M586-R648 HydrophobicContact CE-CB 3.86Å; M586-L649 HydrophobicContact CE-CD2 3.8Å; M586-L649 HydrophobicContact CE-CG 4.02Å
587D78.4Confident63.3Low67 Ų6778 Ų7836%0.35839%0.386SS..Hα-helixtrans-64.9-27.8175-65.6-15000110.8L583 I589 R648L583-D587 WeakPolarHBondContact O-CB 3.42Å; L583-D587 PolarHBondContact O-N 2.92Å; D587-I589 VanDerWaalsContact C-N 3.31Å; D587-R648 IonicContact OD1-CZ 3.3Å; D587-R648 IonicContact OD1-NE 3Å; D587-R648 PolarHBondContact OD1-NE 3.27Å; D587-R648 IonicContact OD1-NH2 2.68Å; D587-R648 PolarHBondContact OD1-NH2 3.3Å; D587-R648 IonicContact OD2-CZ 3.65Å; D587-R648 IonicContact OD2-NE 3.82Å; D587-R648 IonicContact OD2-NH2 2.69Å; D587-R648 PolarHBondContact OD2-NH2 2.88Å
588G71Confident60.8Low27 Ų2777.6 Ų77.628%0.27841%0.41SS..THydrogen-bonded Turntrans-71.1-18.2171.700000114.6N584 E585 M586 G590N584-G588 PolarHBondContact O-N 3.3Å; E585-G588 PolarHBondContact O-N 3.38Å; M586-G588 PolarHBondContact O-N 2.91Å; G588-G590 PolarHBondContact O-N 3.02Å; G588-G590 VanDerWaalsContact O-N 3.13Å
589I69.8Low58.3Low14 Ų1480.8 Ų80.87%0.07244%0.439CS..THydrogen-bonded Turntrans-76.5100.6174.8-64.2167000108.3R491 F542 E585 M586 D587 V627 V629R491-I589 WeakPolarHBondContact CD-O 3.47Å; R491-I589 PolarHBondContact NE-O 3.44Å; R491-I589 PolarHBondContact NH1-O 3.25Å; F542-I589 HydrophobicContact CD1-CD1 3.99Å; F542-I589 HydrophobicContact CE1-CD1 3.77Å; E585-I589 WeakPolarHBondContact O-CG1 3.28Å; E585-I589 PolarHBondContact O-N 3.03Å; M586-I589 WeakPolarHBondContact O-CB 3.37Å; M586-I589 PolarHBondContact O-N 3.34Å; D587-I589 VanDerWaalsContact C-N 3.31Å; I589-V627 HydrophobicContact CD1-CG1 4.44Å; I589-V629 HydrophobicContact CD1-CG2 3.53Å
590G51.4Low55.7Low42 Ų4288 Ų8843%0.43348%0.477SS..THydrogen-bonded Turntrans116.5-7.3174.600000116.3R491 G588 K592R491-G590 VanDerWaalsContact NH1-CA 3.25Å; R491-G590 VanDerWaalsContact NH2-CA 3.32Å; G588-G590 PolarHBondContact O-N 3.02Å; G588-G590 VanDerWaalsContact O-N 3.13Å; G590-K592 PolarHBondContact O-N 3.23Å
591L43.7Very low53.1Low135 Ų13594.5 Ų94.571%0.70750%0.499SS*.  trans-70.1115.5167.1-73.8168.9000108.1M593L591-M593 VanDerWaalsContact C-N 3.35Å; L591-M593 PolarHBondContact O-N 3.18Å
592K36Very low50.4Low133 Ų13399.5 Ų99.558%0.57853%0.529SS*.  trans-55.2104.8161.8-67.5-179.4-178.2177.70106G590 V594 Y618G590-K592 PolarHBondContact O-N 3.23Å; K592-V594 HydrophobicContact CB-CG2 3.8Å; K592-V594 HydrophobicContact CD-CG2 4.43Å; K592-V594 PolarHBondContact O-N 3.14Å; K592-Y618 PolarHBondContact NZ-OH 3.43Å
593M31.1Very low47.7Very low154 Ų154106.6 Ų106.676%0.75957%0.566SS**  trans-6581.6146-75.8-150.3-74.400104.8L591 E595L591-M593 VanDerWaalsContact C-N 3.35Å; L591-M593 PolarHBondContact O-N 3.18Å; M593-E595 PolarHBondContact O-N 3.07Å
594V30.7Very low45Very low106 Ų106115.8 Ų115.864%0.64261%0.609SS**  trans-57.497.9153.71770000102.6K592 R596K592-V594 HydrophobicContact CB-CG2 3.8Å; K592-V594 HydrophobicContact CD-CG2 4.43Å; K592-V594 PolarHBondContact O-N 3.14Å; V594-R596 PolarHBondContact O-N 3.46Å
595E27.9Very low42.5Very low128 Ų128113.7 Ų113.760%0.59861%0.608SS**  trans-44.6116.6156-71.7-179.7169.500105M593 R597M593-E595 PolarHBondContact O-N 3.07Å; E595-R597 PolarHBondContact O-N 3.13Å
596R27.2Very low39.9Very low242 Ų242120.8 Ų120.891%0.91364%0.641SS**  trans-59.786.5172.4-74.7177.8173.3170.3-2.5106.6V594 G598V594-R596 PolarHBondContact O-N 3.46Å; R596-G598 PolarHBondContact O-N 3.01Å
597R30.1Very low37.6Very low205 Ų205124.5 Ų124.577%0.77468%0.682SS**  trans-63.595.2154.3-74.9-172-177.5-171.62.2104.3E595 A599E595-R597 PolarHBondContact O-N 3.13Å; R597-A599 PolarHBondContact O-N 2.89Å
598G26.3Very low35.1Very low84 Ų84126.4 Ų126.487%0.86670%0.695SS**THydrogen-bonded Turntrans-64.383.3162.600000108.2R596R596-G598 PolarHBondContact O-N 3.01Å
599A28.5Very low33.3Very low82 Ų82134.7 Ų134.768%0.67873%0.727SS**THydrogen-bonded Turntrans-168.326163.700000112.4R597 K601R597-A599 PolarHBondContact O-N 2.89Å; A599-K601 PolarHBondContact O-N 3.44Å
600D28Very low31.3Very low159 Ų159141.7 Ų141.785%0.8576%0.759SS**  trans-8565.8169.4-82.9-11.2000110.5
601K29.6Very low30.2Very low193 Ų193142.8 Ų142.884%0.83976%0.76SS**SBendtrans-151.3129.9148.9-75.7-160.4178.7175.80108.9A599A599-K601 PolarHBondContact O-N 3.44Å
602V29.3Very low29.7Very low135 Ų135144.2 Ų144.282%0.81876%0.763SS**SBendtrans86.389.8173.5-162.30000114
603L29.4Very low29.5Very low156 Ų156140.3 Ų140.382%0.81776%0.755SS**  -175.573.2121.6-89.9162.2000108.4
604Q28.5Very low29.7Very low207 Ų207137.2 Ų137.297%0.96774%0.742SS**  trans-90.489.8148.4-87.6-174.6-8.800106
605A32Very low29.9Very low72 Ų72137.4 Ų137.460%0.59574%0.74SS**  trans-168.4133155.500000108.1
606E28.1Very low30.2Very low187 Ų187137.4 Ų137.487%0.87474%0.739SS**  trans87.9103.7168.4-53.7-172.3174.700116V608E606-V608 PolarHBondContact O-N 3.23Å
607G32.4Very low30.9Very low87 Ų87129.7 Ų129.790%0.89772%0.716SS**  trans-62.5119.8169.700000110.3
608V27Very low31.1Very low107 Ų107125.5 Ų125.565%0.64870%0.701SS**  trans-133.8123.5162.2-179.40000105.8E606 Q610E606-V608 PolarHBondContact O-N 3.23Å; V608-Q610 HydrophobicContact CG1-CG 4.41Å; V608-Q610 PolarHBondContact O-N 2.72Å
609E33.3Very low31.4Very low201 Ų201123 Ų12394%0.93967%0.67SS**  trans-57.5101.8169.7-66.5175.7158.600108.7
610Q27.3Very low31.6Very low160 Ų160124.5 Ų124.575%0.74866%0.663SS**  trans-105.699.9170.9-77-178-17.500109.2V608V608-Q610 HydrophobicContact CG1-CG 4.41Å; V608-Q610 PolarHBondContact O-N 2.72Å
611S28.7Very low32.1Very low66 Ų66122.8 Ų122.846%0.46265%0.65SS.*  trans41.210714233.70000119.7A613 D614S611-A613 PolarHBondContact O-N 3Å; S611-D614 PolarHBondContact O-N 2.87Å; S611-D614 PolarHBondContact OG-OD2 2.8Å
612H33.1Very low32.6Very low164 Ų164116.5 Ų116.576%0.75963%0.628SS**Hα-helixtrans-45.1-19.4161.2-72.2-68.8000115.8E616H612-E616 PolarHBondContact O-N 3.23Å
613A32.1Very low32.9Very low51 Ų51111.1 Ų111.142%0.42160%0.596SS.*Hα-helixtrans-68.8-29.817700000113.5S611 L617S611-A613 PolarHBondContact O-N 3Å; A613-L617 WeakPolarHBondContact O-CD1 3.47Å; A613-L617 WeakPolarHBondContact O-CG 3.22Å; A613-L617 PolarHBondContact O-N 3.4Å; A613-L617 VanDerWaalsContact O-N 3.12Å
614D33.9Very low33.4Very low89 Ų89107.2 Ų107.248%0.47658%0.575SS.*Hα-helixtrans-75-31.1-179.9-66-47000111.7S611 Y618S611-D614 PolarHBondContact O-N 2.87Å; S611-D614 PolarHBondContact OG-OD2 2.8Å; D614-Y618 WeakPolarHBondContact O-CB 3.43Å; D614-Y618 PolarHBondContact O-N 3.43Å
615D34.3Very low34.6Very low111 Ų111104.2 Ų104.259%0.59456%0.559SS**Hα-helixtrans-72.3-36.4173.4-80.4-23.8000112.2Y618 C619D615-Y618 PolarHBondContact O-N 3.31Å; D615-C619 WeakPolarHBondContact O-CB 3.45Å; D615-C619 PolarHBondContact O-N 2.91Å; D615-C619 PolarHBondContact O-SG 3.38Å
616E35.9Very low36.1Very low127 Ų127102.4 Ų102.459%0.59354%0.54SS*.Hα-helixtrans-64.6-43.4173.7-75.6179.4178.800111.4H612 C619 Q620H612-E616 PolarHBondContact O-N 3.23Å; E616-C619 PolarHBondContact O-N 2.81Å; E616-Q620 PolarHBondContact O-N 3.06Å
617L40.2Very low38.6Very low81 Ų8194 Ų9442%0.42450%0.501SS..Hα-helixtrans-64.5-41.8175.3-77.1161.2000112A613 C619 Q620 E621A613-L617 WeakPolarHBondContact O-CD1 3.47Å; A613-L617 WeakPolarHBondContact O-CG 3.22Å; A613-L617 PolarHBondContact O-N 3.4Å; A613-L617 VanDerWaalsContact O-N 3.12Å; L617-C619 VanDerWaalsContact C-N 3.33Å; L617-C619 PolarHBondContact O-N 2.9Å; L617-Q620 WeakPolarHBondContact O-CB 3.37Å; L617-Q620 PolarHBondContact O-N 2.77Å; L617-Q620 VanDerWaalsContact O-N 3.15Å; L617-E621 PolarHBondContact O-N 2.84Å
618Y35Very low41.1Very low117 Ų11790.7 Ų90.746%0.45946%0.462SS..Hα-helixtrans-62.2-38.9174.8-168.6-102.9000112.3K592 D614 D615 Q620 V622K592-Y618 PolarHBondContact NZ-OH 3.43Å; D614-Y618 WeakPolarHBondContact O-CB 3.43Å; D614-Y618 PolarHBondContact O-N 3.43Å; D615-Y618 PolarHBondContact O-N 3.31Å; Y618-Q620 VanDerWaalsContact C-N 3.31Å; Y618-Q620 PolarHBondContact O-N 3.01Å; Y618-V622 HydrophobicContact CD1-CG2 4.46Å; Y618-V622 HydrophobicContact CE1-CG2 4.26Å; Y618-V622 VanDerWaalsContact O-CG2 3.3Å; Y618-V622 WeakPolarHBondContact O-CG2 3.35Å; Y618-V622 PolarHBondContact O-N 3.43Å
619C32.8Very low44.1Very low31 Ų3185.6 Ų85.621%0.20943%0.432CS..Hα-helixtrans-65.2-35.2174.9-70.30000112.1D615 E616 L617 C623D615-C619 WeakPolarHBondContact O-CB 3.45Å; D615-C619 PolarHBondContact O-N 2.91Å; D615-C619 PolarHBondContact O-SG 3.38Å; E616-C619 PolarHBondContact O-N 2.81Å; L617-C619 VanDerWaalsContact C-N 3.33Å; L617-C619 PolarHBondContact O-N 2.9Å; C619-C623 PolarHBondContact O-N 2.9Å; C619-C623 PolarHBondContact O-SG 2.94Å
620Q33.4Very low46.8Very low113 Ų11376 Ų7653%0.52839%0.387SS..Hα-helixtrans-74-39178.6-139.7167.911.100112.3E616 L617 Y618 C623 N624E616-Q620 PolarHBondContact O-N 3.06Å; L617-Q620 WeakPolarHBondContact O-CB 3.37Å; L617-Q620 PolarHBondContact O-N 2.77Å; L617-Q620 VanDerWaalsContact O-N 3.15Å; Y618-Q620 VanDerWaalsContact C-N 3.31Å; Y618-Q620 PolarHBondContact O-N 3.01Å; Q620-C623 WeakPolarHBondContact O-CB 3.48Å; Q620-C623 PolarHBondContact O-N 3.44Å; Q620-N624 PolarHBondContact O-N 3.37Å
621E38.3Very low49.8Very low124 Ų12468.5 Ų68.558%0.57935%0.352SS*.Hα-helixtrans-66.2-35175.7-78.3-170.7156.800113.3L617 C623L617-E621 PolarHBondContact O-N 2.84Å; E621-C623 VanDerWaalsContact C-N 3.28Å
622V39.5Very low52.7Low61 Ų6165.4 Ų65.437%0.3733%0.33SS..Hα-helixtrans-68.8-30.8174.4175.60000110.9Y618Y618-V622 HydrophobicContact CD1-CG2 4.46Å; Y618-V622 HydrophobicContact CE1-CG2 4.26Å; Y618-V622 VanDerWaalsContact O-CG2 3.3Å; Y618-V622 WeakPolarHBondContact O-CG2 3.35Å; Y618-V622 PolarHBondContact O-N 3.43Å
623C36Very low55.4Low22 Ų2257.6 Ų57.615%0.14929%0.294CS..Hα-helixtrans-76.1-29.2179.1-82.20000114.7P479 R489 C619 Q620 E621 K625 D626P479-C623 WeakPolarHBondContact CB-SG 3.23Å; R489-C623 PolarHBondContact NH1-SG 3.48Å; R489-C623 PolarHBondContact NH2-SG 2.86Å; C619-C623 PolarHBondContact O-N 2.9Å; C619-C623 PolarHBondContact O-SG 2.94Å; Q620-C623 WeakPolarHBondContact O-CB 3.48Å; Q620-C623 PolarHBondContact O-N 3.44Å; E621-C623 VanDerWaalsContact C-N 3.28Å; C623-K625 PolarHBondContact O-N 3.19Å; C623-D626 VanDerWaalsContact CA-OD2 3.24Å; C623-D626 WeakPolarHBondContact CA-OD2 3.31Å; C623-D626 VanDerWaalsContact O-CB 3.3Å; C623-D626 WeakPolarHBondContact O-CB 3.39Å; C623-D626 VanDerWaalsContact O-CG 3.24Å; C623-D626 PolarHBondContact O-N 3Å; C623-D626 VanDerWaalsContact O-N 3.08Å; C623-D626 PolarHBondContact SG-OD2 3.4Å
624N40.3Very low58Low73 Ų7357 Ų5739%0.3928%0.284SS..THydrogen-bonded Turntrans-704.5179-94.8-12.5000114.4T362 A549 Q620T362-N624 WeakPolarHBondContact CG2-OD1 3.48Å; A549-N624 WeakPolarHBondContact CB-O 3.49Å; Q620-N624 PolarHBondContact O-N 3.37Å
625K53.1Low60.4Low145 Ų14560.6 Ų60.663%0.6329%0.291SS*.THydrogen-bonded Turntrans-114.76.6173.2-67.2178.2-179.6170.30113.1C623 V627C623-K625 PolarHBondContact O-N 3.19Å; K625-V627 PolarHBondContact O-N 2.87Å
626D64.3Low62.7Low34 Ų3456.3 Ų56.318%0.18227%0.269CS..  trans-71.798.5-171.3-72.4-25000111.8R489 P550 C551 C623R489-D626 IonicContact NH1-OD1 3.22Å; R489-D626 PolarHBondContact NH1-OD1 3.24Å; R489-D626 VanDerWaalsContact NH1-OD1 3.15Å; R489-D626 IonicContact NH1-OD2 2.7Å; R489-D626 PolarHBondContact NH1-OD2 3.39Å; P550-D626 WeakPolarHBondContact CA-O 3.43Å; C551-D626 PolarHBondContact N-O 3.49Å; C551-D626 VanDerWaalsContact N-O 3.08Å; C623-D626 VanDerWaalsContact CA-OD2 3.24Å; C623-D626 WeakPolarHBondContact CA-OD2 3.31Å; C623-D626 VanDerWaalsContact O-CB 3.3Å; C623-D626 WeakPolarHBondContact O-CB 3.39Å; C623-D626 VanDerWaalsContact O-CG 3.24Å; C623-D626 PolarHBondContact O-N 3Å; C623-D626 VanDerWaalsContact O-N 3.08Å; C623-D626 PolarHBondContact SG-OD2 3.4Å
627V79.3Confident64.8Low9 Ų958.6 Ų58.66%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-103.8118.9164.7-178.80000107.7A545 R546 C551 L553 I589 K625A545-V627 HydrophobicContact CB-CG1 3.84Å; A545-V627 HydrophobicContact CB-CG2 4.16Å; A545-V627 WeakPolarHBondContact O-CG2 3.38Å; R546-V627 HydrophobicContact CB-CG2 4.45Å; R546-V627 HydrophobicContact CG-CG2 4.03Å; C551-V627 WeakPolarHBondContact O-CA 3.44Å; L553-V627 HydrophobicContact CB-CG1 4.26Å; I589-V627 HydrophobicContact CD1-CG1 4.44Å; K625-V627 PolarHBondContact O-N 2.87Å
628M85.8Confident66.6Low18 Ų1856.5 Ų56.59%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-97.9127172.3177.662.270.400109.2P490 V493 C551 L553 V630P490-M628 HydrophobicContact CB-CE 4.47Å; P490-M628 HydrophobicContact CG-CE 4.07Å; P490-M628 VanDerWaalsContact O-CE 3.23Å; P490-M628 WeakPolarHBondContact O-CE 3.44Å; V493-M628 HydrophobicContact CG2-SD 4.41Å; C551-M628 PolarHBondContact O-N 3.29Å; L553-M628 PolarHBondContact N-O 3.05Å; M628-V630 HydrophobicContact CG-CG2 4.17Å
629V88.7Confident68.7Low1 Ų151.7 Ų51.71%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-96121.5176.4-175.30000109.6R491 G492 V493 F542 L553 L555 I589R491-V629 PolarHBondContact O-N 3Å; G492-V629 CarbonylContact C-O 3.59Å; G492-V629 WeakPolarHBondContact CA-O 3.42Å; V493-V629 PolarHBondContact N-O 2.93Å; F542-V629 HydrophobicContact CE1-CG2 3.94Å; L553-V629 HydrophobicContact CD2-CG2 4.5Å; L555-V629 HydrophobicContact CD1-CG1 4.03Å; I589-V629 HydrophobicContact CD1-CG2 3.53Å
630V90.5Very high71Confident0 Ų051 Ų510%024%0.24CC..EExtended strand (participates in β ladder)trans-115.6118.6173-1750000108.3I472 V493 L495 V507 V552 L553 F554 L555 M628I472-V630 HydrophobicContact CD1-CG2 3.98Å; V493-V630 HydrophobicContact CB-CG1 4.39Å; V493-V630 HydrophobicContact CB-CG2 4.36Å; V493-V630 CarbonylContact O-C 3.49Å; V493-V630 VanDerWaalsContact O-CA 3.31Å; V493-V630 WeakPolarHBondContact O-CA 3.4Å; L495-V630 HydrophobicContact CD1-CG1 4.12Å; L495-V630 HydrophobicContact CG-CG1 4.41Å; V507-V630 HydrophobicContact CB-CG1 4.46Å; V507-V630 HydrophobicContact CG1-CB 4.06Å; V507-V630 HydrophobicContact CG1-CG1 3.9Å; V507-V630 HydrophobicContact CG1-CG2 4.29Å; V507-V630 HydrophobicContact CG2-CG1 3.62Å; V552-V630 HydrophobicContact CG1-CB 4.49Å; V552-V630 HydrophobicContact CG1-CG2 3.83Å; L553-V630 PolarHBondContact O-N 3.42Å; F554-V630 CarbonylContact C-O 3.53Å; F554-V630 VanDerWaalsContact CA-O 3.27Å; F554-V630 WeakPolarHBondContact CA-O 3.43Å; F554-V630 HydrophobicContact CD2-CB 4.18Å; F554-V630 HydrophobicContact CD2-CG1 4.07Å; F554-V630 WeakPolarHBondContact CD2-O 3.24Å; F554-V630 HydrophobicContact CE2-CG1 4.42Å; L555-V630 PolarHBondContact N-O 2.79Å; M628-V630 HydrophobicContact CG-CG2 4.17Å
631A90.5Very high73.2Confident1 Ų149.2 Ų49.21%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-106.3141.9176.900000110V493 L494 L495 L555 I558 L649V493-A631 PolarHBondContact O-N 3.48Å; L494-A631 CarbonylContact C-O 3.57Å; L494-A631 WeakPolarHBondContact CA-O 3.49Å; L494-A631 HydrophobicContact CD1-CB 3.84Å; L495-A631 PolarHBondContact N-O 3.39Å; L555-A631 CarbonylContact O-C 3.59Å; L555-A631 WeakPolarHBondContact O-CA 3.17Å; I558-A631 HydrophobicContact CD1-CB 4Å; I558-A631 HydrophobicContact CG2-CB 4.44Å; A631-L649 HydrophobicContact CB-CD1 4.34Å; A631-L649 HydrophobicContact CB-CD2 4.3Å
632A90.6Very high75.3Confident1 Ų143.7 Ų43.71%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-118.3139.6170.200000111L495 F554 L555 E557 I558L495-A632 HydrophobicContact CB-CB 4.46Å; L495-A632 CarbonylContact O-C 3.42Å; L495-A632 VanDerWaalsContact O-CA 3.31Å; L495-A632 WeakPolarHBondContact O-CA 3.46Å; F554-A632 HydrophobicContact CE2-CB 3.71Å; F554-A632 HydrophobicContact CZ-CB 3.72Å; L555-A632 PolarHBondContact O-N 3.11Å; E557-A632 PolarHBondContact N-O 2.75Å; I558-A632 PolarHBondContact N-O 3.44Å; I558-A632 VanDerWaalsContact N-O 3.16Å
633T88.4Confident77.3Confident1 Ų140.8 Ų40.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-137.6145.8173-171.80000111.9L494 L495 Y496 K503 D559 R635 P636 I639L494-T633 HydrophobicContact CD1-CG2 4.19Å; L495-T633 PolarHBondContact O-N 2.89Å; Y496-T633 WeakPolarHBondContact CA-O 3.26Å; K503-T633 PolarHBondContact NZ-O 3.11Å; D559-T633 VanDerWaalsContact CG-OG1 3.23Å; D559-T633 PolarHBondContact OD1-OG1 3.32Å; T633-R635 PolarHBondContact OG1-N 3.47Å; T633-R635 PolarHBondContact OG1-O 2.86Å; T633-P636 HydrophobicContact CG2-CB 4.43Å; T633-I639 HydrophobicContact CG2-CD1 3.45Å; T633-I639 VanDerWaalsContact CG2-CD1 3.45Å; T633-I639 HydrophobicContact CG2-CG1 4.4Å
634N88.1Confident79.6Confident39 Ų3942.1 Ų42.121%0.20920%0.203CC..SBendtrans-91.6-16.1166.6-63.5-39.7000111.8K503 Y743K503-N634 PolarHBondContact NZ-OD1 3.36Å; N634-Y743 WeakPolarHBondContact O-CE1 3.32Å; N634-Y743 PolarHBondContact O-OH 2.68Å
635R84.6Confident81.6Confident164 Ų16445.6 Ų45.662%0.61921%0.211SC*.  trans-129.181-173.9-62.3-179.8179.8177.82.7110.4D559 T633 R637 C638D559-R635 HydrophobicContact CB-CB 4.39Å; T633-R635 PolarHBondContact OG1-N 3.47Å; T633-R635 PolarHBondContact OG1-O 2.86Å; R635-R637 PolarHBondContact O-N 3.06Å; R635-R637 VanDerWaalsContact O-N 3.1Å; R635-C638 HydrophobicContact CB-CB 4.23Å; R635-C638 PolarHBondContact O-N 3.4Å
636P81.6Confident82.6Confident21 Ų2144.7 Ų44.714%0.13622%0.22CC..G310 helixtrans-60-27.3-177.325.4-35.4000113.2Y496 T633 C638 I639 Y743Y496-P636 HydrophobicContact CD2-CB 4.07Å; Y496-P636 HydrophobicContact CD2-CG 3.89Å; Y496-P636 HydrophobicContact CG-CB 4.27Å; T633-P636 HydrophobicContact CG2-CB 4.43Å; P636-C638 PolarHBondContact O-N 3.37Å; P636-I639 PolarHBondContact O-N 3.39Å; P636-Y743 HydrophobicContact CG-CD1 4.05Å; P636-Y743 HydrophobicContact CG-CE1 4.22Å
637R80.3Confident83Confident175 Ų17545 Ų4566%0.6623%0.231SC*.G310 helixtrans-66.9-21.8177.5-63.7-173.5-177.7178-0114.2R635R635-R637 PolarHBondContact O-N 3.06Å; R635-R637 VanDerWaalsContact O-N 3.1Å
638C77.4Confident83.1Confident36 Ų3646.2 Ų46.224%0.24323%0.234CC..G310 helixtrans-85.5-13.6-178.7-63.80000112.7D559 S564 R635 P636D559-C638 HydrophobicContact CB-CB 4.28Å; S564-C638 PolarHBondContact N-O 3.45Å; R635-C638 HydrophobicContact CB-CB 4.23Å; R635-C638 PolarHBondContact O-N 3.4Å; P636-C638 PolarHBondContact O-N 3.37Å
639I79.5Confident83Confident16 Ų1645.5 Ų45.58%0.08223%0.231CC..SBendtrans-73136.2-177.6-64.7-177.4000110.6L494 I558 T633 P636 S641 L643 L644L494-I639 HydrophobicContact CD1-CD1 3.82Å; L494-I639 HydrophobicContact CD2-CD1 3.75Å; L494-I639 HydrophobicContact CG-CD1 4.41Å; I558-I639 HydrophobicContact CG2-CD1 4.11Å; I558-I639 HydrophobicContact CG2-CG1 4.47Å; T633-I639 HydrophobicContact CG2-CD1 3.45Å; T633-I639 VanDerWaalsContact CG2-CD1 3.45Å; T633-I639 HydrophobicContact CG2-CG1 4.4Å; P636-I639 PolarHBondContact O-N 3.39Å; I639-S641 PolarHBondContact O-N 3.46Å; I639-L643 HydrophobicContact CG2-CB 4.18Å; I639-L643 HydrophobicContact CG2-CD1 4.02Å; I639-L644 HydrophobicContact CG2-CD2 4.42Å; I639-L644 HydrophobicContact CG2-CG 4.42Å
640D81Confident82.5Confident16 Ų1648.2 Ų48.29%0.08625%0.246CC..  trans-65.2127.9172.2-168.4-19.4000111I562 R565 L579 A642 L643I562-D640 HydrophobicContact CG2-CB 4.05Å; R565-D640 IonicContact CZ-OD2 3.46Å; R565-D640 IonicContact NE-OD2 2.8Å; R565-D640 PolarHBondContact NE-OD2 3.22Å; R565-D640 IonicContact NH2-OD2 2.73Å; R565-D640 PolarHBondContact NH2-OD2 2.69Å; L579-D640 HydrophobicContact CD2-CB 4.21Å; L579-D640 WeakPolarHBondContact CD2-OD2 3.32Å; D640-A642 PolarHBondContact O-N 3.27Å; D640-A642 PolarHBondContact OD1-N 3.3Å; D640-L643 PolarHBondContact O-N 3.43Å
641S80.2Confident82.2Confident77 Ų7752 Ų5254%0.53826%0.263SS..THydrogen-bonded Turntrans-47.4-27.1170.865.50000114.1I639 L643 L644I639-S641 PolarHBondContact O-N 3.46Å; S641-L643 VanDerWaalsContact C-N 3.26Å; S641-L643 PolarHBondContact O-N 3.35Å; S641-L644 PolarHBondContact O-N 2.93Å
642A81.9Confident82.1Confident8 Ų856 Ų567%0.06628%0.284CS..THydrogen-bonded Turntrans-59.5-34.8175.800000112.6L583 D640 R648L583-A642 HydrophobicContact CD1-CB 4Å; L583-A642 HydrophobicContact CD2-CB 4.49Å; D640-A642 PolarHBondContact O-N 3.27Å; D640-A642 PolarHBondContact OD1-N 3.3Å; A642-R648 VanDerWaalsContact O-CD 3.28Å; A642-R648 WeakPolarHBondContact O-CD 3.45Å; A642-R648 PolarHBondContact O-NH1 3.3Å
643L81.7Confident82.1Confident0 Ų056.3 Ų56.30%029%0.285CS..THydrogen-bonded Turntrans-74.4-27.1178.9-75.6174.8000113.4I558 I562 L579 L582 L583 M586 I639 D640 S641 R645 R648 L649I558-L643 HydrophobicContact CD1-CD1 3.98Å; I562-L643 HydrophobicContact CD1-CD1 3.25Å; I562-L643 HydrophobicContact CD1-CG 4.42Å; L579-L643 HydrophobicContact CD1-CD1 4.36Å; L579-L643 HydrophobicContact CD1-CG 4.29Å; L582-L643 HydrophobicContact CD2-CD2 4.16Å; L583-L643 HydrophobicContact CD2-CD2 3.55Å; L583-L643 HydrophobicContact CD2-CG 4.19Å; M586-L643 HydrophobicContact SD-CD2 3.84Å; I639-L643 HydrophobicContact CG2-CB 4.18Å; I639-L643 HydrophobicContact CG2-CD1 4.02Å; D640-L643 PolarHBondContact O-N 3.43Å; S641-L643 VanDerWaalsContact C-N 3.26Å; S641-L643 PolarHBondContact O-N 3.35Å; L643-R645 VanDerWaalsContact C-N 3.25Å; L643-R645 PolarHBondContact O-N 2.95Å; L643-R648 WeakPolarHBondContact O-CB 3.37Å; L643-L649 HydrophobicContact CB-CD1 3.94Å; L643-L649 WeakPolarHBondContact O-CB 3.17Å; L643-L649 PolarHBondContact O-N 2.81Å
644L83.2Confident82.2Confident49 Ų4958.5 Ų58.526%0.25729%0.293SS..THydrogen-bonded Turntrans-83.1-0.8-178.3-56.7178.4000113L494 I639 S641 I652L494-L644 HydrophobicContact CD2-CD2 3.5Å; I639-L644 HydrophobicContact CG2-CD2 4.42Å; I639-L644 HydrophobicContact CG2-CG 4.42Å; S641-L644 PolarHBondContact O-N 2.93Å; L644-I652 HydrophobicContact CD2-CD1 3.92Å
645R83.4Confident82.4Confident147 Ų14756.7 Ų56.756%0.55528%0.283SS*.SBendtrans-69.7145.9178.8-67.8-175.3-176.2177.90.3110.8L643 G647 R648L643-R645 VanDerWaalsContact C-N 3.25Å; L643-R645 PolarHBondContact O-N 2.95Å; R645-G647 PolarHBondContact O-N 2.97Å; R645-R648 PolarHBondContact O-N 3.4Å
646P74.4Confident82.6Confident126 Ų12650.8 Ų50.882%0.81827%0.267SS*.THydrogen-bonded Turntrans-54.7137.8173.5-2231.5000111.6
647G71.7Confident83Confident39 Ų3951 Ų5140%0.40227%0.268SS..THydrogen-bonded Turntrans97.3-3.5-172.600000114.6R645 D650R645-G647 PolarHBondContact O-N 2.97Å; G647-D650 WeakPolarHBondContact CA-OD1 3.29Å; G647-D650 PolarHBondContact N-OD1 3.06Å
648R82Confident83.4Confident35 Ų3543.4 Ų43.413%0.13224%0.241CC..SBendtrans-123.1-100.1-177.7-64.8172.6-179.7169-3.2110.7G492 M586 D587 A642 L643 R645 D650G492-R648 WeakPolarHBondContact CA-O 3.46Å; G492-R648 PolarHBondContact N-O 3.21Å; M586-R648 HydrophobicContact CE-CB 3.86Å; D587-R648 IonicContact OD1-CZ 3.3Å; D587-R648 IonicContact OD1-NE 3Å; D587-R648 PolarHBondContact OD1-NE 3.27Å; D587-R648 IonicContact OD1-NH2 2.68Å; D587-R648 PolarHBondContact OD1-NH2 3.3Å; D587-R648 IonicContact OD2-CZ 3.65Å; D587-R648 IonicContact OD2-NE 3.82Å; D587-R648 IonicContact OD2-NH2 2.69Å; D587-R648 PolarHBondContact OD2-NH2 2.88Å; A642-R648 VanDerWaalsContact O-CD 3.28Å; A642-R648 WeakPolarHBondContact O-CD 3.45Å; A642-R648 PolarHBondContact O-NH1 3.3Å; L643-R648 WeakPolarHBondContact O-CB 3.37Å; R645-R648 PolarHBondContact O-N 3.4Å; R648-D650 PolarHBondContact N-OD1 3.23Å; R648-D650 PolarHBondContact O-N 3.47Å
649L83.4Confident84Confident3 Ų347.4 Ų47.42%0.01626%0.26CS..SBendtrans-91.874.4173.7-59.5177000109.5L494 M586 A631 L643 H651L494-L649 HydrophobicContact CB-CB 4.19Å; L494-L649 HydrophobicContact CB-CD1 4.08Å; L494-L649 HydrophobicContact CD1-CD1 4.21Å; L494-L649 HydrophobicContact CD2-CD1 4.25Å; L494-L649 HydrophobicContact CG-CD1 4.41Å; M586-L649 HydrophobicContact CE-CD2 3.8Å; M586-L649 HydrophobicContact CE-CG 4.02Å; A631-L649 HydrophobicContact CB-CD1 4.34Å; A631-L649 HydrophobicContact CB-CD2 4.3Å; L643-L649 HydrophobicContact CB-CD1 3.94Å; L643-L649 WeakPolarHBondContact O-CB 3.17Å; L643-L649 PolarHBondContact O-N 2.81Å; L649-H651 PolarHBondContact O-N 3.02Å
650D77.4Confident84.5Confident59 Ų5951 Ų5132%0.31628%0.279SS..  trans-67.6-35.8-173.3-58.7-35.6000112.9R491 G492 G647 R648R491-D650 PolarHBondContact N-OD2 3.46Å; G492-D650 PolarHBondContact O-N 3.05Å; G647-D650 WeakPolarHBondContact CA-OD1 3.29Å; G647-D650 PolarHBondContact N-OD1 3.06Å; R648-D650 PolarHBondContact N-OD1 3.23Å; R648-D650 PolarHBondContact O-N 3.47Å
651H85.1Confident85Confident80 Ų8057.9 Ų57.937%0.3731%0.311SS..EExtended strand (participates in β ladder)trans-108.2110.2-177.1-71.7-55.2000111.6P490 G492 V493 L494 L649P490-H651 WeakPolarHBondContact CB-CD2 3.14Å; G492-H651 PolarHBondContact O-N 2.92Å; V493-H651 CarbonylContact C-O 3.54Å; V493-H651 VanDerWaalsContact CA-O 3.3Å; V493-H651 WeakPolarHBondContact CA-O 3.42Å; V493-H651 HydrophobicContact CG1-CB 4.48Å; V493-H651 HydrophobicContact CG2-CB 4.27Å; L494-H651 PolarHBondContact N-O 3.38Å; L649-H651 PolarHBondContact O-N 3.02Å
652I88.7Confident85.4Confident85 Ų8554.6 Ų54.644%0.43629%0.288SS..EExtended strand (participates in β ladder)trans-99.2117175.4-45.7175.4000108.5L494 Y496 L644L494-I652 HydrophobicContact CB-CG2 4.42Å; L494-I652 HydrophobicContact CD2-CG2 4.24Å; L494-I652 HydrophobicContact CG-CG2 4.43Å; L494-I652 CarbonylContact O-C 3.57Å; L494-I652 WeakPolarHBondContact O-CA 3.43Å; Y496-I652 HydrophobicContact CD1-CG2 3.48Å; Y496-I652 VanDerWaalsContact CD1-CG2 3.48Å; Y496-I652 HydrophobicContact CE1-CG2 3.36Å; L644-I652 HydrophobicContact CD2-CD1 3.92Å
653I90.6Very high85.9Confident7 Ų755.3 Ų55.34%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-114.6118.8-177.9-58177.3000109V464 K467 L468 V493 L494 L495 Y496V464-I653 HydrophobicContact CG1-CG2 3.9Å; K467-I653 HydrophobicContact CB-CD1 3.98Å; L468-I653 HydrophobicContact CD2-CD1 3.84Å; L468-I653 HydrophobicContact CG-CD1 4.18Å; V493-I653 HydrophobicContact CG1-CD1 3.61Å; V493-I653 HydrophobicContact CG1-CG1 4.1Å; L494-I653 PolarHBondContact O-N 3.06Å; L495-I653 WeakPolarHBondContact CA-O 3.34Å; L495-I653 HydrophobicContact CD2-CB 3.66Å; L495-I653 HydrophobicContact CD2-CD1 4.29Å; L495-I653 HydrophobicContact CD2-CG1 4.48Å; L495-I653 HydrophobicContact CD2-CG2 3.87Å; Y496-I653 WeakPolarHBondContact CD1-O 3.45Å; Y496-I653 PolarHBondContact N-O 3.21Å
654Y90.8Very high86.4Confident47 Ų4756.7 Ų56.718%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-79.6131.2171.1179.1-125.2000110.6Y496 P656 Y743 L744Y496-Y654 AromaticContact CD2-CD2 3.81Å; Y496-Y654 HydrophobicContact CD2-CD2 3.81Å; Y496-Y654 HydrophobicContact CD2-CE2 4.5Å; Y496-Y654 HydrophobicContact CE1-CD2 4.49Å; Y496-Y654 AromaticContact CE2-CD2 3.41Å; Y496-Y654 HydrophobicContact CE2-CD2 3.41Å; Y496-Y654 VanDerWaalsContact CE2-CD2 3.41Å; Y496-Y654 HydrophobicContact CE2-CE2 4.19Å; Y496-Y654 HydrophobicContact CE2-CG 4.1Å; Y496-Y654 AromaticContact CZ-CD2 3.82Å; Y496-Y654 WeakPolarHBondContact O-CA 3.49Å; Y654-P656 HydrophobicContact CD1-CB 4.26Å; Y654-P656 HydrophobicContact CE1-CB 3.72Å; Y654-P656 WeakPolarHBondContact O-CD 3.27Å; Y654-Y743 HydrophobicContact CE2-CG 4.18Å; Y654-L744 HydrophobicContact CE1-CD2 4.06Å
655V91.1Very high86.7Confident0 Ų055.7 Ų55.70%030%0.295CS..  trans-102.3103.5171.1-175.40000108.3L461 V464 L495 Y496 P498 C501 K503 L506L461-V655 HydrophobicContact CD1-CG1 3.99Å; V464-V655 HydrophobicContact CG1-CG2 4.17Å; L495-V655 HydrophobicContact CD2-CG2 4.34Å; Y496-V655 PolarHBondContact O-N 3.4Å; P498-V655 WeakPolarHBondContact CD-O 3.2Å; C501-V655 HydrophobicContact CB-CG1 4.03Å; K503-V655 HydrophobicContact CG-CB 4.38Å; K503-V655 HydrophobicContact CG-CG2 4.16Å; L506-V655 HydrophobicContact CD1-CG1 4.28Å; L506-V655 HydrophobicContact CD1-CG2 4.38Å
656P89.4Confident87Confident41 Ų4149.9 Ų49.927%0.26628%0.275SS..PPolyproline II helixtrans-71.5159.1178.829.4-34.5000111.9L461 Y654L461-P656 HydrophobicContact CD2-CG 3.74Å; Y654-P656 HydrophobicContact CD1-CB 4.26Å; Y654-P656 HydrophobicContact CE1-CB 3.72Å; Y654-P656 WeakPolarHBondContact O-CD 3.27Å
657P89.1Confident87.8Confident25 Ų2543.9 Ų43.916%0.16224%0.236CC..PPolyproline II helixtrans-62.4155.2167.429.8-35.8000111.1D659 L735 I740P657-D659 PolarHBondContact O-N 2.91Å; P657-L735 HydrophobicContact CB-CD1 3.83Å; P657-I740 HydrophobicContact CG-CD1 4Å; P657-I740 HydrophobicContact CG-CG1 4.24Å; P657-I740 HydrophobicContact CG-CG2 4.36Å
658P89.9Confident88.7Confident15 Ų1547 Ų4710%0.09724%0.239CC..PPolyproline II helixtrans-72.2127.1-173.428.5-34.8000113.2A662 R663 I666 Y692P658-A662 HydrophobicContact CB-CB 3.83Å; P658-R663 HydrophobicContact CB-CG 3.87Å; P658-R663 HydrophobicContact CG-CG 3.95Å; P658-R663 PolarHBondContact O-NH1 3.06Å; P658-I666 HydrophobicContact CB-CD1 3.8Å; P658-I666 HydrophobicContact CG-CD1 4.29Å; P658-Y692 VanDerWaalsContact CG-O 3.26Å; P658-Y692 WeakPolarHBondContact CG-O 3.26Å
659D89.9Confident89Confident120 Ų12047.1 Ų47.164%0.64224%0.243SC*.PPolyproline II helixtrans-67.3171.2170.1-64.8-38.2000112.8P657 Q661 A662 R663P657-D659 PolarHBondContact O-N 2.91Å; D659-Q661 VanDerWaalsContact C-N 3.3Å; D659-Q661 PolarHBondContact O-N 3.42Å; D659-A662 HydrophobicContact CB-CB 4.49Å; D659-A662 CarbonylContact O-C 3.56Å; D659-A662 WeakPolarHBondContact O-CA 3.09Å; D659-A662 WeakPolarHBondContact O-CB 3.45Å; D659-A662 PolarHBondContact O-N 2.72Å; D659-R663 WeakPolarHBondContact O-CG 3.34Å; D659-R663 PolarHBondContact O-N 2.7Å
660L90.4Very high89.1Confident91 Ų9148 Ų4848%0.47625%0.249SC..Hα-helixtrans-54.6-45.5179.7-175.6147.9000112.5A662 R663 L664L660-A662 VanDerWaalsContact C-N 3.34Å; L660-R663 PolarHBondContact O-N 3.43Å; L660-L664 WeakPolarHBondContact O-CB 3.37Å; L660-L664 PolarHBondContact O-N 3Å
661Q90.4Very high89.6Confident162 Ų16246 Ų4676%0.75724%0.239SC*.Hα-helixtrans-64.9-38.7176.4-67.1-178.2-9.100111.9D659 A665D659-Q661 VanDerWaalsContact C-N 3.3Å; D659-Q661 PolarHBondContact O-N 3.42Å; Q661-A665 WeakPolarHBondContact O-CB 3.47Å; Q661-A665 PolarHBondContact O-N 2.72Å
662A89.3Confident89.7Confident8 Ų850 Ų507%0.06626%0.255CS..Hα-helixtrans-67.3-43.317700000111.6P658 D659 L660 L664 A665 I666P658-A662 HydrophobicContact CB-CB 3.83Å; D659-A662 HydrophobicContact CB-CB 4.49Å; D659-A662 CarbonylContact O-C 3.56Å; D659-A662 WeakPolarHBondContact O-CA 3.09Å; D659-A662 WeakPolarHBondContact O-CB 3.45Å; D659-A662 PolarHBondContact O-N 2.72Å; L660-A662 VanDerWaalsContact C-N 3.34Å; A662-L664 PolarHBondContact O-N 2.67Å; A662-A665 WeakPolarHBondContact O-CB 3.38Å; A662-A665 PolarHBondContact O-N 3.48Å; A662-I666 WeakPolarHBondContact O-CD1 3.42Å; A662-I666 WeakPolarHBondContact O-CG1 3.39Å; A662-I666 PolarHBondContact O-N 2.88Å
663R91.3Very high89.4Confident23 Ų2350.8 Ų50.89%0.08727%0.268CS..Hα-helixtrans-61.5-43.2176.4-66.6-164.8-62.3-83.92.5111.9P658 D659 L660 A665 I666 L667 A686 T689 L697P658-R663 HydrophobicContact CB-CG 3.87Å; P658-R663 HydrophobicContact CG-CG 3.95Å; P658-R663 PolarHBondContact O-NH1 3.06Å; D659-R663 WeakPolarHBondContact O-CG 3.34Å; D659-R663 PolarHBondContact O-N 2.7Å; L660-R663 PolarHBondContact O-N 3.43Å; R663-A665 VanDerWaalsContact C-N 3.34Å; R663-A665 PolarHBondContact O-N 3.26Å; R663-I666 PolarHBondContact O-N 3.14Å; R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 WeakPolarHBondContact O-CG 3.39Å; R663-L667 PolarHBondContact O-N 3.48Å; R663-A686 HydrophobicContact CB-CB 4.3Å; R663-A686 PolarHBondContact NE-O 3.24Å; R663-A686 PolarHBondContact NH2-O 3.32Å; R663-T689 WeakPolarHBondContact CD-O 3.05Å; R663-T689 PolarHBondContact NE-O 3.16Å; R663-T689 VanDerWaalsContact NE-O 3.14Å; R663-L697 HydrophobicContact CB-CD1 3.9Å; R663-L697 HydrophobicContact CG-CD1 3.86Å
664L92.1Very high89.2Confident28 Ų2852.6 Ų52.615%0.14728%0.277CS..Hα-helixtrans-58.9-46.8173.4-176.5170.9000110.8L660 A662 L667 K668 E683 A686L660-L664 WeakPolarHBondContact O-CB 3.37Å; L660-L664 PolarHBondContact O-N 3Å; A662-L664 PolarHBondContact O-N 2.67Å; L664-L667 PolarHBondContact O-N 2.9Å; L664-K668 HydrophobicContact CD2-CD 3.58Å; L664-K668 HydrophobicContact CD2-CG 4.11Å; L664-K668 WeakPolarHBondContact O-CG 3.25Å; L664-K668 PolarHBondContact O-N 3.04Å; L664-E683 HydrophobicContact CD1-CG 3.75Å; L664-A686 HydrophobicContact CB-CB 3.96Å
665A90.3Very high89Confident29 Ų2954.4 Ų54.424%0.2430%0.295CS..Hα-helixtrans-62.8-41.7177.200000112.4Q661 A662 R663 K668 V669Q661-A665 WeakPolarHBondContact O-CB 3.47Å; Q661-A665 PolarHBondContact O-N 2.72Å; A662-A665 WeakPolarHBondContact O-CB 3.38Å; A662-A665 PolarHBondContact O-N 3.48Å; R663-A665 VanDerWaalsContact C-N 3.34Å; R663-A665 PolarHBondContact O-N 3.26Å; A665-K668 PolarHBondContact O-N 3.34Å; A665-V669 WeakPolarHBondContact O-CG2 3.39Å; A665-V669 PolarHBondContact O-N 3Å
666I89.8Confident88.8Confident25 Ų2556.4 Ų56.413%0.12831%0.307CS..Hα-helixtrans-62-48.9176.1-68.1161.9000110.1P658 A662 R663 K668 V669 C670 L697P658-I666 HydrophobicContact CB-CD1 3.8Å; P658-I666 HydrophobicContact CG-CD1 4.29Å; A662-I666 WeakPolarHBondContact O-CD1 3.42Å; A662-I666 WeakPolarHBondContact O-CG1 3.39Å; A662-I666 PolarHBondContact O-N 2.88Å; R663-I666 PolarHBondContact O-N 3.14Å; I666-K668 VanDerWaalsContact C-N 3.33Å; I666-K668 PolarHBondContact O-N 3.49Å; I666-V669 PolarHBondContact O-N 2.97Å; I666-C670 PolarHBondContact O-N 3.28Å; I666-C670 PolarHBondContact O-SG 3.03Å; I666-C670 VanDerWaalsContact O-SG 3.34Å; I666-L697 HydrophobicContact CB-CD1 4Å; I666-L697 HydrophobicContact CD1-CD1 4.15Å; I666-L697 HydrophobicContact CG2-CB 4Å; I666-L697 HydrophobicContact CG2-CD1 3.79Å
667L90.6Very high88.7Confident0 Ų056.7 Ų56.70%031%0.306CS..Hα-helixtrans-58.1-44.9177.1-74.5171.7000111.4R663 L664 V669 C670 T671 L685 A686 L697R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 WeakPolarHBondContact O-CG 3.39Å; R663-L667 PolarHBondContact O-N 3.48Å; L664-L667 PolarHBondContact O-N 2.9Å; L667-V669 PolarHBondContact O-N 3.31Å; L667-C670 PolarHBondContact O-N 3.02Å; L667-T671 WeakPolarHBondContact O-CB 3.16Å; L667-T671 WeakPolarHBondContact O-CG2 3.07Å; L667-T671 PolarHBondContact O-N 3.06Å; L667-T671 PolarHBondContact O-OG1 3.33Å; L667-L685 HydrophobicContact CD1-CB 3.96Å; L667-A686 HydrophobicContact CD1-CB 4.22Å; L667-L697 HydrophobicContact CD2-CB 4.47Å; L667-L697 HydrophobicContact CD2-CD2 4.2Å; L667-L697 HydrophobicContact CG-CD2 4.37Å
668K90.4Very high88.4Confident105 Ų10560.7 Ų60.746%0.45734%0.335SS..Hα-helixtrans-58.3-36174.6-78.7-178.8177.2174.40112.9L664 A665 I666 T671 K672 L682L664-K668 HydrophobicContact CD2-CD 3.58Å; L664-K668 HydrophobicContact CD2-CG 4.11Å; L664-K668 WeakPolarHBondContact O-CG 3.25Å; L664-K668 PolarHBondContact O-N 3.04Å; A665-K668 PolarHBondContact O-N 3.34Å; I666-K668 VanDerWaalsContact C-N 3.33Å; I666-K668 PolarHBondContact O-N 3.49Å; K668-T671 PolarHBondContact O-OG1 3.47Å; K668-K672 WeakPolarHBondContact O-CG 3.5Å; K668-L682 HydrophobicContact CB-CD1 4.47Å; K668-L682 HydrophobicContact CG-CD1 3.66Å
669V88.6Confident88.1Confident36 Ų3667.3 Ų67.322%0.21836%0.364CS..Hα-helixtrans-73.7-46.7177.4173.10000110.7Q457 A665 I666 L667 T671 K672Q457-V669 WeakPolarHBondContact O-CG1 3.47Å; A665-V669 WeakPolarHBondContact O-CG2 3.39Å; A665-V669 PolarHBondContact O-N 3Å; I666-V669 PolarHBondContact O-N 2.97Å; L667-V669 PolarHBondContact O-N 3.31Å; V669-T671 VanDerWaalsContact C-N 3.3Å; V669-T671 PolarHBondContact O-N 3.4Å; V669-K672 PolarHBondContact O-N 3.16Å
670C86.4Confident87.9Confident21 Ų2162.4 Ų62.414%0.14234%0.339CS..Hα-helixtrans-62.8-35.6-179.7-66.10000112.6I666 L667 S673 C701I666-C670 PolarHBondContact O-N 3.28Å; I666-C670 PolarHBondContact O-SG 3.03Å; I666-C670 VanDerWaalsContact O-SG 3.34Å; L667-C670 PolarHBondContact O-N 3.02Å; C670-S673 PolarHBondContact O-OG 3.12Å; C670-C701 HydrophobicContact CB-CB 4.41Å
671T87.3Confident87.9Confident18 Ų1860.7 Ų60.711%0.1133%0.334CS..Hα-helixtrans-80.6-15.1-17956.80000113.9L667 K668 V669 S673 M674 V676 L682L667-T671 WeakPolarHBondContact O-CB 3.16Å; L667-T671 WeakPolarHBondContact O-CG2 3.07Å; L667-T671 PolarHBondContact O-N 3.06Å; L667-T671 PolarHBondContact O-OG1 3.33Å; K668-T671 PolarHBondContact O-OG1 3.47Å; V669-T671 VanDerWaalsContact C-N 3.3Å; V669-T671 PolarHBondContact O-N 3.4Å; T671-S673 PolarHBondContact O-N 3.06Å; T671-M674 PolarHBondContact O-N 3.28Å; T671-V676 HydrophobicContact CG2-CG2 3.9Å; T671-L682 HydrophobicContact CG2-CD2 4.07Å
672K86.8Confident87.8Confident163 Ų16354.6 Ų54.671%0.70931%0.306SS*.THydrogen-bonded Turntrans-58.8-32.8176.2-85.7172.8-177.5-174.70113.3K668 V669 M674K668-K672 WeakPolarHBondContact O-CG 3.5Å; V669-K672 PolarHBondContact O-N 3.16Å; K672-M674 VanDerWaalsContact C-N 3.33Å
673S82.6Confident87.9Confident102 Ų10260.2 Ų60.271%0.71333%0.331SS*.THydrogen-bonded Turntrans-86.7-2.3178.552.40000113.6C670 T671C670-S673 PolarHBondContact O-OG 3.12Å; T671-S673 PolarHBondContact O-N 3.06Å
674M87Confident87.9Confident45 Ų4563 Ų6322%0.22235%0.345CS..SBendtrans-118.2141.9-174.2-62-176.5178.800110.8T671 K672 V676 C701 K702 I719T671-M674 PolarHBondContact O-N 3.28Å; K672-M674 VanDerWaalsContact C-N 3.33Å; M674-V676 HydrophobicContact CB-CG2 4.09Å; M674-V676 PolarHBondContact O-N 3.27Å; M674-C701 HydrophobicContact CE-CB 3.83Å; M674-C701 HydrophobicContact SD-CB 3.84Å; M674-K702 HydrophobicContact CE-CG 4.48Å; M674-I719 HydrophobicContact CB-CD1 4Å; M674-I719 HydrophobicContact CG-CD1 4.47Å; M674-I719 HydrophobicContact SD-CD1 4.01Å
675P86Confident87.7Confident86 Ų8661.7 Ų61.756%0.55834%0.338SS*.  trans-7495171.730.1-31.9000109.2S718 I719P675-S718 CarbonylContact O-C 3.52Å; P675-S718 WeakPolarHBondContact O-CA 3.26Å; P675-I719 PolarHBondContact O-N 3.38Å
676V86.9Confident87.8Confident42 Ų4260.3 Ų60.326%0.25533%0.327SS..BIsolated β-bridgetrans-100.7137.1178.8-175.80000109.5T671 M674 V680 F724T671-V676 HydrophobicContact CG2-CG2 3.9Å; M674-V676 HydrophobicContact CB-CG2 4.09Å; M674-V676 PolarHBondContact O-N 3.27Å; V676-V680 HydrophobicContact CG1-CB 3.54Å; V676-V680 HydrophobicContact CG1-CG1 3.7Å; V676-V680 HydrophobicContact CG1-CG2 3.55Å; V676-F724 HydrophobicContact CG1-CE2 4.39Å
677D87.6Confident87.9Confident46 Ų4662 Ų6225%0.24634%0.344CS..  trans-66.3145.4177-175.916.4000111.5H679 V680 I719D677-H679 PolarHBondContact O-N 3.07Å; D677-H679 VanDerWaalsContact O-N 3.14Å; D677-H679 IonicContact OD1-CD2 3.15Å; D677-H679 IonicContact OD2-CD2 3.67Å; D677-H679 PolarHBondContact OD2-CD2 3.17Å; D677-H679 VanDerWaalsContact OD2-CD2 3.3Å; D677-H679 IonicContact OD2-CG 3.52Å; D677-V680 HydrophobicContact CB-CG2 4.3Å; D677-V680 WeakPolarHBondContact O-CB 3.26Å; D677-V680 WeakPolarHBondContact O-CG2 3.09Å; D677-V680 PolarHBondContact O-N 2.97Å; D677-I719 PolarHBondContact N-O 3.35Å; D677-I719 VanDerWaalsContact N-O 3.13Å
678S82.3Confident87.8Confident109 Ų10966.9 Ų66.976%0.76237%0.365SS*.THydrogen-bonded Turntrans-60.2-21.7178.663.30000113.5V680S678-V680 VanDerWaalsContact C-N 3.28Å; S678-V680 PolarHBondContact O-N 2.75Å
679H83.6Confident87.7Confident154 Ų15461.9 Ų61.971%0.71334%0.344SS*.THydrogen-bonded Turntrans-78.2-6176.9-64.3-61.7000114.2D677 C681D677-H679 PolarHBondContact O-N 3.07Å; D677-H679 VanDerWaalsContact O-N 3.14Å; D677-H679 IonicContact OD1-CD2 3.15Å; D677-H679 IonicContact OD2-CD2 3.67Å; D677-H679 PolarHBondContact OD2-CD2 3.17Å; D677-H679 VanDerWaalsContact OD2-CD2 3.3Å; D677-H679 IonicContact OD2-CG 3.52Å; H679-C681 PolarHBondContact O-N 3.4Å
680V86.1Confident87.6Confident18 Ų1867.6 Ų67.611%0.10937%0.366CS..  trans-79.2118.9-178.6175.40000111.2V676 D677 S678 L682 L685 I719 Q721 F724V676-V680 HydrophobicContact CG1-CB 3.54Å; V676-V680 HydrophobicContact CG1-CG1 3.7Å; V676-V680 HydrophobicContact CG1-CG2 3.55Å; D677-V680 HydrophobicContact CB-CG2 4.3Å; D677-V680 WeakPolarHBondContact O-CB 3.26Å; D677-V680 WeakPolarHBondContact O-CG2 3.09Å; D677-V680 PolarHBondContact O-N 2.97Å; S678-V680 VanDerWaalsContact C-N 3.28Å; S678-V680 PolarHBondContact O-N 2.75Å; V680-L682 HydrophobicContact CG1-CD2 4.01Å; V680-L685 HydrophobicContact CG1-CD1 4.16Å; V680-I719 WeakPolarHBondContact CG2-O 2.99Å; V680-Q721 VanDerWaalsContact CG1-OE1 3.24Å; V680-Q721 HydrophobicContact CG2-CB 4.29Å; V680-F724 HydrophobicContact CG1-CD2 4.18Å; V680-F724 HydrophobicContact CG1-CE2 4.01Å; V680-F724 HydrophobicContact CG2-CE2 4.46Å
681C89.9Confident87.5Confident55 Ų5569.2 Ų69.237%0.37237%0.373SS..  trans-95.5102177-1710000111.1H679 E683 E684 L685H679-C681 PolarHBondContact O-N 3.4Å; C681-E683 VanDerWaalsContact C-N 3.27Å; C681-E683 PolarHBondContact O-N 3.42Å; C681-E684 HydrophobicContact CB-CB 4.21Å; C681-E684 PolarHBondContact O-N 2.68Å; C681-L685 PolarHBondContact O-N 2.83Å
682L89.5Confident87.6Confident33 Ų3369 Ų6917%0.17337%0.37CS..Hα-helixtrans-67.1-26.5179.6-58179.8000113.4K668 T671 V680 L685 A686K668-L682 HydrophobicContact CB-CD1 4.47Å; K668-L682 HydrophobicContact CG-CD1 3.66Å; T671-L682 HydrophobicContact CG2-CD2 4.07Å; V680-L682 HydrophobicContact CG1-CD2 4.01Å; L682-L685 HydrophobicContact CD2-CD1 4.3Å; L682-L685 PolarHBondContact O-N 3.19Å; L682-A686 WeakPolarHBondContact O-CB 3.43Å; L682-A686 PolarHBondContact O-N 3.06Å
683E91.2Very high87.8Confident127 Ų12761.3 Ų61.359%0.59334%0.337SS*.Hα-helixtrans-67-42.2178.3-66.3-176.8177.500111.4L664 C681 A686 A687L664-E683 HydrophobicContact CD1-CG 3.75Å; C681-E683 VanDerWaalsContact C-N 3.27Å; C681-E683 PolarHBondContact O-N 3.42Å; E683-A686 PolarHBondContact O-N 2.76Å; E683-A687 PolarHBondContact O-N 3.25Å; E683-A687 VanDerWaalsContact O-N 3.11Å
684E90.3Very high88Confident82 Ų8257 Ų5738%0.38331%0.309SS..Hα-helixtrans-64.7-41.4176.3-163.6-164.3162.400111.3C681 A687 K688 Q721C681-E684 HydrophobicContact CB-CB 4.21Å; C681-E684 PolarHBondContact O-N 2.68Å; E684-A687 PolarHBondContact O-N 3.36Å; E684-K688 PolarHBondContact O-N 3.44Å; E684-K688 VanDerWaalsContact O-N 3.12Å; E684-K688 WeakPolarHBondContact OE1-CE 3.37Å; E684-K688 IonicContact OE1-NZ 3.34Å; E684-K688 PolarHBondContact OE1-NZ 3.45Å; E684-Q721 PolarHBondContact OE2-NE2 3.41Å
685L89.5Confident88Confident0 Ų056.5 Ų56.50%031%0.312CS..Hα-helixtrans-63.9-40.9176.2-63.4177.3000111.5L667 V680 C681 L682 A687 K688 T689 F724 L725 I728L667-L685 HydrophobicContact CD1-CB 3.96Å; V680-L685 HydrophobicContact CG1-CD1 4.16Å; C681-L685 PolarHBondContact O-N 2.83Å; L682-L685 HydrophobicContact CD2-CD1 4.3Å; L682-L685 PolarHBondContact O-N 3.19Å; L685-A687 VanDerWaalsContact C-N 3.28Å; L685-A687 PolarHBondContact O-N 3.16Å; L685-K688 PolarHBondContact O-N 3.43Å; L685-T689 WeakPolarHBondContact O-CB 3.46Å; L685-T689 VanDerWaalsContact O-CG2 3.26Å; L685-T689 WeakPolarHBondContact O-CG2 3.44Å; L685-T689 PolarHBondContact O-N 3.11Å; L685-T689 PolarHBondContact O-OG1 2.81Å; L685-F724 HydrophobicContact CD1-CB 3.98Å; L685-F724 HydrophobicContact CD1-CD1 4.04Å; L685-F724 HydrophobicContact CD1-CD2 4.19Å; L685-F724 HydrophobicContact CD1-CG 3.82Å; L685-F724 HydrophobicContact CD2-CB 3.77Å; L685-L725 HydrophobicContact CD2-CD2 4.38Å; L685-I728 HydrophobicContact CD2-CD1 3.92Å
686A91Very high88.3Confident0 Ų053 Ų530%029%0.288CS..Hα-helixtrans-64.3-31.7176.600000113R663 L664 L667 L682 E683 T689R663-A686 HydrophobicContact CB-CB 4.3Å; R663-A686 PolarHBondContact NE-O 3.24Å; R663-A686 PolarHBondContact NH2-O 3.32Å; L664-A686 HydrophobicContact CB-CB 3.96Å; L667-A686 HydrophobicContact CD1-CB 4.22Å; L682-A686 WeakPolarHBondContact O-CB 3.43Å; L682-A686 PolarHBondContact O-N 3.06Å; E683-A686 PolarHBondContact O-N 2.76Å; A686-T689 WeakPolarHBondContact CA-OG1 3.19Å; A686-T689 PolarHBondContact O-OG1 3.24Å
687A91.6Very high88.4Confident60 Ų6051 Ų5150%0.49628%0.276SS..Hα-helixtrans-71.6-39.8175.200000112.2E683 E684 L685E683-A687 PolarHBondContact O-N 3.25Å; E683-A687 VanDerWaalsContact O-N 3.11Å; E684-A687 PolarHBondContact O-N 3.36Å; L685-A687 VanDerWaalsContact C-N 3.28Å; L685-A687 PolarHBondContact O-N 3.16Å
688K89Confident88.5Confident102 Ų10253 Ų5344%0.44328%0.284SS..Hα-helixtrans-75-24.7179.6-73.4175.4171.51690113.9E684 L685 K690 L725 I728E684-K688 PolarHBondContact O-N 3.44Å; E684-K688 VanDerWaalsContact O-N 3.12Å; E684-K688 WeakPolarHBondContact OE1-CE 3.37Å; E684-K688 IonicContact OE1-NZ 3.34Å; E684-K688 PolarHBondContact OE1-NZ 3.45Å; L685-K688 PolarHBondContact O-N 3.43Å; K688-K690 VanDerWaalsContact C-N 3.32Å; K688-K690 PolarHBondContact O-N 2.91Å; K688-L725 HydrophobicContact CD-CD2 3.96Å; K688-I728 HydrophobicContact CB-CD1 4.27Å
689T88.3Confident88.9Confident0 Ų051.2 Ų51.20%027%0.266CS..  trans-89.945.5-176.550.60000113.6R663 L685 A686 Y692 L697 L700 I728R663-T689 WeakPolarHBondContact CD-O 3.05Å; R663-T689 PolarHBondContact NE-O 3.16Å; R663-T689 VanDerWaalsContact NE-O 3.14Å; L685-T689 WeakPolarHBondContact O-CB 3.46Å; L685-T689 VanDerWaalsContact O-CG2 3.26Å; L685-T689 WeakPolarHBondContact O-CG2 3.44Å; L685-T689 PolarHBondContact O-N 3.11Å; L685-T689 PolarHBondContact O-OG1 2.81Å; A686-T689 WeakPolarHBondContact CA-OG1 3.19Å; A686-T689 PolarHBondContact O-OG1 3.24Å; T689-Y692 HydrophobicContact CG2-CD1 4.2Å; T689-Y692 HydrophobicContact CG2-CD2 4.37Å; T689-Y692 HydrophobicContact CG2-CE1 4.4Å; T689-Y692 HydrophobicContact CG2-CG 4.2Å; T689-Y692 PolarHBondContact O-N 3.46Å; T689-L697 HydrophobicContact CG2-CD2 3.94Å; T689-L700 HydrophobicContact CG2-CD2 3.76Å; T689-I728 HydrophobicContact CG2-CD1 4.2Å; T689-I728 HydrophobicContact CG2-CG1 4.39Å
690K86.1Confident89.3Confident156 Ų15643.9 Ų43.968%0.67823%0.232SC*.THydrogen-bonded Turntrans-66137.3176.1-165.5-178.7177177.50110.1K688 Y692K688-K690 VanDerWaalsContact C-N 3.32Å; K688-K690 PolarHBondContact O-N 2.91Å; K690-Y692 PolarHBondContact O-N 3.29Å
691L85.6Confident89.5Confident56 Ų5643 Ų4329%0.29323%0.227SC..THydrogen-bonded Turntrans69.27.4-176.7-54.3170.1000115.7P733 L735 I740L691-P733 HydrophobicContact CB-CB 4.13Å; L691-L735 WeakPolarHBondContact O-CB 3.44Å; L691-I740 HydrophobicContact CD2-CD1 3.71Å
692Y89Confident89.6Confident12 Ų1244.9 Ų44.95%0.04723%0.229CC..  trans-73.4133.1172.1-78.9-121.9000109.3P658 T689 K690 D696 L697 M731 P733P658-Y692 VanDerWaalsContact CG-O 3.26Å; P658-Y692 WeakPolarHBondContact CG-O 3.26Å; T689-Y692 HydrophobicContact CG2-CD1 4.2Å; T689-Y692 HydrophobicContact CG2-CD2 4.37Å; T689-Y692 HydrophobicContact CG2-CE1 4.4Å; T689-Y692 HydrophobicContact CG2-CG 4.2Å; T689-Y692 PolarHBondContact O-N 3.46Å; K690-Y692 PolarHBondContact O-N 3.29Å; Y692-D696 HydrophobicContact CD1-CB 3.6Å; Y692-D696 HydrophobicContact CE1-CB 4.41Å; Y692-D696 HydrophobicContact CG-CB 4.12Å; Y692-L697 HydrophobicContact CD1-CD2 4.38Å; Y692-L697 HydrophobicContact CG-CD2 4.45Å; Y692-M731 PolarHBondContact OH-O 3.47Å; Y692-P733 HydrophobicContact CD2-CB 3.99Å; Y692-P733 HydrophobicContact CE2-CB 3.93Å
693S90Very high89.6Confident2 Ų246 Ų461%0.01423%0.233CC..  trans-75.6169.9169.270.70000111A695 D696 L697S693-A695 VanDerWaalsContact C-N 3.27Å; S693-A695 PolarHBondContact O-N 2.97Å; S693-D696 WeakPolarHBondContact CB-OD2 3.43Å; S693-D696 PolarHBondContact N-OD2 3.45Å; S693-D696 PolarHBondContact O-N 3.49Å; S693-D696 PolarHBondContact OG-N 3.44Å; S693-D696 PolarHBondContact OG-OD1 3.22Å; S693-D696 PolarHBondContact OG-OD2 2.84Å; S693-L697 WeakPolarHBondContact O-CG 3.45Å; S693-L697 PolarHBondContact O-N 3.24Å
694G87.6Confident89.6Confident13 Ų1339.9 Ų39.913%0.13421%0.205CC..Hα-helixtrans-59.3-40174.500000112.2G500 L697 E698G500-G694 WeakPolarHBondContact O-CA 3.43Å; G500-G694 PolarHBondContact O-N 3.47Å; G694-L697 PolarHBondContact O-N 3.23Å; G694-E698 PolarHBondContact O-N 3.03Å
695A87.5Confident89.5Confident34 Ų3437.2 Ų37.228%0.28120%0.197SC..Hα-helixtrans-65.2-37.4174.800000112.7G500 S693 L697 E698 N699G500-A695 PolarHBondContact O-N 2.88Å; S693-A695 VanDerWaalsContact C-N 3.27Å; S693-A695 PolarHBondContact O-N 2.97Å; A695-L697 VanDerWaalsContact C-N 3.34Å; A695-E698 PolarHBondContact O-N 3.47Å; A695-N699 WeakPolarHBondContact O-CB 3.47Å; A695-N699 VanDerWaalsContact O-CG 3.27Å; A695-N699 PolarHBondContact O-N 3.43Å; A695-N699 PolarHBondContact O-ND2 3Å
696D91.3Very high89.5Confident11 Ų1141.5 Ų41.56%0.05922%0.219CC..Hα-helixtrans-66.1-38.4176.7-57.6-35.8000111.5Y692 S693 N699 L700 S734Y692-D696 HydrophobicContact CD1-CB 3.6Å; Y692-D696 HydrophobicContact CE1-CB 4.41Å; Y692-D696 HydrophobicContact CG-CB 4.12Å; S693-D696 WeakPolarHBondContact CB-OD2 3.43Å; S693-D696 PolarHBondContact N-OD2 3.45Å; S693-D696 PolarHBondContact O-N 3.49Å; S693-D696 PolarHBondContact OG-N 3.44Å; S693-D696 PolarHBondContact OG-OD1 3.22Å; S693-D696 PolarHBondContact OG-OD2 2.84Å; D696-N699 PolarHBondContact O-N 3.23Å; D696-L700 VanDerWaalsContact O-CB 3.31Å; D696-L700 WeakPolarHBondContact O-CB 3.43Å; D696-L700 PolarHBondContact O-N 3.15Å; D696-S734 WeakPolarHBondContact OD1-CB 3.28Å; D696-S734 PolarHBondContact OD1-OG 2.91Å; D696-S734 VanDerWaalsContact OD2-CB 3.24Å; D696-S734 WeakPolarHBondContact OD2-CB 3.46Å; D696-S734 PolarHBondContact OD2-N 3.3Å; D696-S734 PolarHBondContact OD2-OG 3.48Å
697L90.3Very high89.4Confident0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-68-37.4176.1-67174.8000112.2R663 I666 L667 T689 Y692 S693 G694 A695 L700 C701R663-L697 HydrophobicContact CB-CD1 3.9Å; R663-L697 HydrophobicContact CG-CD1 3.86Å; I666-L697 HydrophobicContact CB-CD1 4Å; I666-L697 HydrophobicContact CD1-CD1 4.15Å; I666-L697 HydrophobicContact CG2-CB 4Å; I666-L697 HydrophobicContact CG2-CD1 3.79Å; L667-L697 HydrophobicContact CD2-CB 4.47Å; L667-L697 HydrophobicContact CD2-CD2 4.2Å; L667-L697 HydrophobicContact CG-CD2 4.37Å; T689-L697 HydrophobicContact CG2-CD2 3.94Å; Y692-L697 HydrophobicContact CD1-CD2 4.38Å; Y692-L697 HydrophobicContact CG-CD2 4.45Å; S693-L697 WeakPolarHBondContact O-CG 3.45Å; S693-L697 PolarHBondContact O-N 3.24Å; G694-L697 PolarHBondContact O-N 3.23Å; A695-L697 VanDerWaalsContact C-N 3.34Å; L697-L700 WeakPolarHBondContact O-CB 3.34Å; L697-L700 PolarHBondContact O-N 3.36Å; L697-C701 PolarHBondContact O-N 3.05Å; L697-C701 VanDerWaalsContact O-N 3.16Å; L697-C701 PolarHBondContact O-SG 3.08Å
698E89.1Confident89.3Confident89 Ų8940.1 Ų40.142%0.41620%0.203SC..Hα-helixtrans-65.7-44.8174.1-166.1-170.4150.800110.9G694 A695 L700 C701 K702G694-E698 PolarHBondContact O-N 3.03Å; A695-E698 PolarHBondContact O-N 3.47Å; E698-L700 VanDerWaalsContact C-N 3.31Å; E698-L700 PolarHBondContact O-N 3.06Å; E698-C701 PolarHBondContact O-N 2.94Å; E698-K702 WeakPolarHBondContact O-CG 3.45Å; E698-K702 PolarHBondContact O-N 3.25Å; E698-K702 VanDerWaalsContact OE1-CE 3.27Å; E698-K702 WeakPolarHBondContact OE1-CE 3.31Å; E698-K702 IonicContact OE1-NZ 3.64Å; E698-K702 PolarHBondContact OE1-NZ 3.25Å
699N90.9Very high89.3Confident72 Ų7238 Ų3839%0.38520%0.197SC..Hα-helixtrans-64.1-35.8175.3-73.2-17.4000112A695 D696 C701 K702 E703 M731A695-N699 WeakPolarHBondContact O-CB 3.47Å; A695-N699 VanDerWaalsContact O-CG 3.27Å; A695-N699 PolarHBondContact O-N 3.43Å; A695-N699 PolarHBondContact O-ND2 3Å; D696-N699 PolarHBondContact O-N 3.23Å; N699-C701 VanDerWaalsContact C-N 3.32Å; N699-C701 PolarHBondContact O-N 3.44Å; N699-K702 PolarHBondContact O-N 3.35Å; N699-E703 WeakPolarHBondContact O-CB 3.38Å; N699-E703 WeakPolarHBondContact O-CG 3.46Å; N699-E703 PolarHBondContact O-N 3.47Å; N699-M731 HydrophobicContact CB-CE 3.59Å
700L92.3Very high89.2Confident0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-59.2-44174.217769.4000111.4T689 D696 L697 E698 A704 I728 M731T689-L700 HydrophobicContact CG2-CD2 3.76Å; D696-L700 VanDerWaalsContact O-CB 3.31Å; D696-L700 WeakPolarHBondContact O-CB 3.43Å; D696-L700 PolarHBondContact O-N 3.15Å; L697-L700 WeakPolarHBondContact O-CB 3.34Å; L697-L700 PolarHBondContact O-N 3.36Å; E698-L700 VanDerWaalsContact C-N 3.31Å; E698-L700 PolarHBondContact O-N 3.06Å; L700-A704 WeakPolarHBondContact O-CB 3.49Å; L700-A704 PolarHBondContact O-N 3.23Å; L700-I728 HydrophobicContact CD1-CG1 3.67Å; L700-I728 HydrophobicContact CD2-CG1 4.11Å; L700-M731 HydrophobicContact CB-SD 4.16Å; L700-M731 HydrophobicContact CD1-SD 4.09Å
701C90.6Very high89.1Confident0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-66-40.5177.1-61.20000111.6C670 M674 L697 E698 N699 A704 A705C670-C701 HydrophobicContact CB-CB 4.41Å; M674-C701 HydrophobicContact CE-CB 3.83Å; M674-C701 HydrophobicContact SD-CB 3.84Å; L697-C701 PolarHBondContact O-N 3.05Å; L697-C701 VanDerWaalsContact O-N 3.16Å; L697-C701 PolarHBondContact O-SG 3.08Å; E698-C701 PolarHBondContact O-N 2.94Å; N699-C701 VanDerWaalsContact C-N 3.32Å; N699-C701 PolarHBondContact O-N 3.44Å; C701-A704 PolarHBondContact O-N 3.21Å; C701-A705 PolarHBondContact O-N 3.34Å
702K90.3Very high88.7Confident93 Ų9341.1 Ų41.140%0.40422%0.215SC..Hα-helixtrans-64.3-46.8176.1-69.9172.9-174.8165.10112.2M674 E698 N699 A704 A705 L706M674-K702 HydrophobicContact CE-CG 4.48Å; E698-K702 WeakPolarHBondContact O-CG 3.45Å; E698-K702 PolarHBondContact O-N 3.25Å; E698-K702 VanDerWaalsContact OE1-CE 3.27Å; E698-K702 WeakPolarHBondContact OE1-CE 3.31Å; E698-K702 IonicContact OE1-NZ 3.64Å; E698-K702 PolarHBondContact OE1-NZ 3.25Å; N699-K702 PolarHBondContact O-N 3.35Å; K702-A704 VanDerWaalsContact C-N 3.34Å; K702-A704 PolarHBondContact O-N 2.93Å; K702-A705 PolarHBondContact O-N 2.73Å; K702-L706 WeakPolarHBondContact O-CG 3.49Å; K702-L706 PolarHBondContact O-N 3.24Å
703E90.6Very high88.2Confident56 Ų5647.3 Ų47.326%0.26225%0.249SC..Hα-helixtrans-63.2-40.7176.7-75.5-72.7140.200111.3N699 A705 L706 L707 K730 M731N699-E703 WeakPolarHBondContact O-CB 3.38Å; N699-E703 WeakPolarHBondContact O-CG 3.46Å; N699-E703 PolarHBondContact O-N 3.47Å; E703-A705 VanDerWaalsContact C-N 3.32Å; E703-A705 PolarHBondContact O-N 3.29Å; E703-L706 PolarHBondContact O-N 3.17Å; E703-L707 WeakPolarHBondContact O-CB 3.48Å; E703-L707 WeakPolarHBondContact O-CG 3.38Å; E703-L707 PolarHBondContact O-N 3.4Å; E703-K730 IonicContact OE2-NZ 2.64Å; E703-K730 PolarHBondContact OE2-NZ 2.98Å; E703-M731 HydrophobicContact CB-SD 4.33Å; E703-M731 HydrophobicContact CG-SD 4.05Å
704A90.3Very high87.6Confident0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-60.9-40.617500000112.1L700 C701 K702 L707 A708 I719 H723 F724 S727L700-A704 WeakPolarHBondContact O-CB 3.49Å; L700-A704 PolarHBondContact O-N 3.23Å; C701-A704 PolarHBondContact O-N 3.21Å; K702-A704 VanDerWaalsContact C-N 3.34Å; K702-A704 PolarHBondContact O-N 2.93Å; A704-L707 PolarHBondContact O-N 3Å; A704-A708 PolarHBondContact O-N 3.46Å; A704-I719 HydrophobicContact CB-CG2 4.09Å; A704-H723 HydrophobicContact CB-CB 4.39Å; A704-F724 HydrophobicContact CB-CD1 3.55Å; A704-F724 HydrophobicContact CB-CD2 4.37Å; A704-F724 HydrophobicContact CB-CE1 3.64Å; A704-F724 HydrophobicContact CB-CE2 4.45Å; A704-F724 HydrophobicContact CB-CG 3.94Å; A704-F724 HydrophobicContact CB-CZ 4.1Å; A704-S727 WeakPolarHBondContact CA-OG 3.24Å; A704-S727 PolarHBondContact N-OG 3.38Å
705A89.5Confident87.1Confident26 Ų2661.8 Ų61.822%0.21532%0.315CS..Hα-helixtrans-65.8-41.4174.600000112.5C701 K702 E703 A708 L709 I719C701-A705 PolarHBondContact O-N 3.34Å; K702-A705 PolarHBondContact O-N 2.73Å; E703-A705 VanDerWaalsContact C-N 3.32Å; E703-A705 PolarHBondContact O-N 3.29Å; A705-A708 PolarHBondContact O-N 3.32Å; A705-L709 WeakPolarHBondContact O-CG 3.48Å; A705-L709 PolarHBondContact O-N 3.34Å; A705-L709 VanDerWaalsContact O-N 3.08Å; A705-I719 HydrophobicContact CB-CD1 3.73Å; A705-I719 HydrophobicContact CB-CG1 4.49Å
706L89.3Confident86.4Confident90 Ų9061.5 Ų61.547%0.47131%0.313SS..Hα-helixtrans-64.9-39.7176.1-71173.4000112K702 E703 L709 L710K702-L706 WeakPolarHBondContact O-CG 3.49Å; K702-L706 PolarHBondContact O-N 3.24Å; E703-L706 PolarHBondContact O-N 3.17Å; L706-L709 PolarHBondContact O-N 3.44Å; L706-L710 VanDerWaalsContact O-CG 3.3Å; L706-L710 WeakPolarHBondContact O-CG 3.13Å; L706-L710 PolarHBondContact O-N 2.82Å
707L89.2Confident85.7Confident27 Ų2765.4 Ų65.414%0.14134%0.341CS..Hα-helixtrans-64-40.8174.8-72.6-179.5000111.9E703 A704 L709 L710 E711 H723 R726 S727E703-L707 WeakPolarHBondContact O-CB 3.48Å; E703-L707 WeakPolarHBondContact O-CG 3.38Å; E703-L707 PolarHBondContact O-N 3.4Å; A704-L707 PolarHBondContact O-N 3Å; L707-L709 VanDerWaalsContact C-N 3.34Å; L707-L709 PolarHBondContact O-N 3.37Å; L707-L710 HydrophobicContact CD2-CD1 4.46Å; L707-L710 PolarHBondContact O-N 3.35Å; L707-E711 WeakPolarHBondContact O-CB 3.16Å; L707-E711 WeakPolarHBondContact O-CG 3.46Å; L707-E711 PolarHBondContact O-N 3.25Å; L707-H723 HydrophobicContact CB-CB 4.25Å; L707-R726 HydrophobicContact CD1-CB 3.96Å; L707-S727 VanDerWaalsContact CD1-OG 3.28Å; L707-S727 WeakPolarHBondContact CD1-OG 3.41Å
708A89.2Confident85.5Confident3 Ų366.9 Ų66.93%0.02535%0.351CS..Hα-helixtrans-59.5-45.1174.600000111.4A704 A705 L710 E711 E712 A716 I719A704-A708 PolarHBondContact O-N 3.46Å; A705-A708 PolarHBondContact O-N 3.32Å; A708-L710 PolarHBondContact O-N 3.02Å; A708-E711 PolarHBondContact O-N 3.1Å; A708-E712 PolarHBondContact O-N 3.43Å; A708-A716 HydrophobicContact CB-CB 4.32Å; A708-I719 HydrophobicContact CB-CG1 4.47Å
709L89.2Confident85.5Confident58 Ų5863 Ų6330%0.30433%0.333SS..Hα-helixtrans-63.3-38.1176.7-72.3171.7000113.3A705 L706 L707 N713 M714 A716A705-L709 WeakPolarHBondContact O-CG 3.48Å; A705-L709 PolarHBondContact O-N 3.34Å; A705-L709 VanDerWaalsContact O-N 3.08Å; L706-L709 PolarHBondContact O-N 3.44Å; L707-L709 VanDerWaalsContact C-N 3.34Å; L707-L709 PolarHBondContact O-N 3.37Å; L709-N713 PolarHBondContact O-N 3.11Å; L709-M714 HydrophobicContact CB-SD 4.18Å; L709-M714 PolarHBondContact O-N 3.3Å; L709-A716 HydrophobicContact CD2-CB 4.03Å
710L85.6Confident85.5Confident130 Ų13063.2 Ų63.268%0.68133%0.332SS*.Hα-helixtrans-69.9-36178.3-75166.9000112.4L706 L707 A708L706-L710 VanDerWaalsContact O-CG 3.3Å; L706-L710 WeakPolarHBondContact O-CG 3.13Å; L706-L710 PolarHBondContact O-N 2.82Å; L707-L710 HydrophobicContact CD2-CD1 4.46Å; L707-L710 PolarHBondContact O-N 3.35Å; A708-L710 PolarHBondContact O-N 3.02Å
711E84Confident85.4Confident83 Ų8364.7 Ų64.739%0.38834%0.339SS..Hα-helixtrans-78.6-32.1-178.5-72.2177.4-158.900112.5L707 A708 H723 R726L707-E711 WeakPolarHBondContact O-CB 3.16Å; L707-E711 WeakPolarHBondContact O-CG 3.46Å; L707-E711 PolarHBondContact O-N 3.25Å; A708-E711 PolarHBondContact O-N 3.1Å; E711-H723 IonicContact OE1-ND1 3.27Å; E711-H723 IonicContact OE2-CE1 2.78Å; E711-H723 PolarHBondContact OE2-CE1 3.36Å; E711-H723 IonicContact OE2-ND1 3.84Å; E711-H723 PolarHBondContact OE2-ND1 3.35Å; E711-H723 VanDerWaalsContact OE2-ND1 3.15Å; E711-R726 IonicContact OE1-CZ 3.05Å; E711-R726 IonicContact OE1-NH1 3.64Å; E711-R726 PolarHBondContact OE1-NH1 3.09Å
712E77.7Confident85.3Confident64 Ų6468 Ų6830%0.29936%0.359SS..THydrogen-bonded Turntrans-10424.5-178.1-53.9-171.3171.800113.2A708 M714 E715 A716 S717A708-E712 PolarHBondContact O-N 3.43Å; E712-M714 VanDerWaalsContact C-N 3.33Å; E712-M714 PolarHBondContact O-N 3.04Å; E712-E715 PolarHBondContact O-N 3.42Å; E712-A716 HydrophobicContact CB-CB 3.85Å; E712-A716 HydrophobicContact CG-CB 4.27Å; E712-A716 WeakPolarHBondContact OE2-CA 3.43Å; E712-A716 WeakPolarHBondContact OE2-CB 3.32Å; E712-S717 PolarHBondContact OE2-N 3.45Å
713N76.9Confident85.3Confident142 Ų14263.7 Ų63.776%0.75934%0.341SS*.THydrogen-bonded Turntrans48.545.7176.7-67.7-41.3000114.5L709 E715L709-N713 PolarHBondContact O-N 3.11Å; N713-E715 PolarHBondContact O-N 3.11Å
714M78.4Confident85.3Confident144 Ų14461 Ų6171%0.70933%0.328SS*.THydrogen-bonded Turntrans67.82.3-177.7-54.7-66.7-66.600116.3L709 E712 A716L709-M714 HydrophobicContact CB-SD 4.18Å; L709-M714 PolarHBondContact O-N 3.3Å; E712-M714 VanDerWaalsContact C-N 3.33Å; E712-M714 PolarHBondContact O-N 3.04Å; M714-A716 VanDerWaalsContact C-N 3.33Å
715E76.4Confident85.3Confident176 Ų17663.9 Ų63.982%0.82234%0.343SS*.  trans-96.417.7176-62.7-166.5158.700112.8E712 N713 S717E712-E715 PolarHBondContact O-N 3.42Å; N713-E715 PolarHBondContact O-N 3.11Å; E715-S717 PolarHBondContact O-N 3.37Å
716A72.5Confident85.3Confident28 Ų2869.4 Ų69.423%0.23136%0.358CS..  trans-65.4125.6-168.900000113.5A708 L709 E712 M714A708-A716 HydrophobicContact CB-CB 4.32Å; L709-A716 HydrophobicContact CD2-CB 4.03Å; E712-A716 HydrophobicContact CB-CB 3.85Å; E712-A716 HydrophobicContact CG-CB 4.27Å; E712-A716 WeakPolarHBondContact OE2-CA 3.43Å; E712-A716 WeakPolarHBondContact OE2-CB 3.32Å; M714-A716 VanDerWaalsContact C-N 3.33Å
717S77.9Confident85.3Confident92 Ų9265.1 Ų65.164%0.64334%0.336SS*.  trans-96-28.4-175.563.10000114E712 E715E712-S717 PolarHBondContact OE2-N 3.45Å; E715-S717 PolarHBondContact O-N 3.37Å
718S86.5Confident85.3Confident31 Ų3165.2 Ų65.222%0.21734%0.336CS..  trans-155.1153.5-179.462.90000112.2P675P675-S718 CarbonylContact O-C 3.52Å; P675-S718 WeakPolarHBondContact O-CA 3.26Å
719I89.1Confident85.3Confident8 Ų871 Ų714%0.04137%0.371CS..BIsolated β-bridgetrans-91.6118.2178.2-51.6170.1000109.4M674 P675 D677 V680 A704 A705 A708 H723 F724M674-I719 HydrophobicContact CB-CD1 4Å; M674-I719 HydrophobicContact CG-CD1 4.47Å; M674-I719 HydrophobicContact SD-CD1 4.01Å; P675-I719 PolarHBondContact O-N 3.38Å; D677-I719 PolarHBondContact N-O 3.35Å; D677-I719 VanDerWaalsContact N-O 3.13Å; V680-I719 WeakPolarHBondContact CG2-O 2.99Å; A704-I719 HydrophobicContact CB-CG2 4.09Å; A705-I719 HydrophobicContact CB-CD1 3.73Å; A705-I719 HydrophobicContact CB-CG1 4.49Å; A708-I719 HydrophobicContact CB-CG1 4.47Å; I719-H723 HydrophobicContact CG2-CB 4.39Å; I719-F724 HydrophobicContact CB-CE2 4.26Å; I719-F724 HydrophobicContact CG2-CD2 4.04Å; I719-F724 HydrophobicContact CG2-CE2 3.43Å; I719-F724 VanDerWaalsContact CG2-CE2 3.43Å; I719-F724 HydrophobicContact CG2-CZ 3.88Å
720Q89.6Confident85.1Confident77 Ų7774.8 Ų74.836%0.3639%0.385SS..  trans-84.2159.3175.8-58.2-1762.200113.8T722 H723 F724Q720-T722 WeakPolarHBondContact CB-OG1 3.38Å; Q720-T722 PolarHBondContact O-N 3.06Å; Q720-T722 PolarHBondContact OE1-OG1 3.49Å; Q720-H723 PolarHBondContact N-CD2 3.16Å; Q720-H723 VanDerWaalsContact N-CD2 3.27Å; Q720-H723 PolarHBondContact O-N 2.86Å; Q720-F724 WeakPolarHBondContact O-CD2 3.35Å
721Q89.7Confident85.1Confident31 Ų3170.5 Ų70.515%0.14536%0.362CS..Hα-helixtrans-58.4-32.6176.6-174.575.3-3.700112.1V680 E684 H723 F724 L725V680-Q721 VanDerWaalsContact CG1-OE1 3.24Å; V680-Q721 HydrophobicContact CG2-CB 4.29Å; E684-Q721 PolarHBondContact OE2-NE2 3.41Å; Q721-H723 PolarHBondContact O-N 2.61Å; Q721-F724 PolarHBondContact O-N 3.49Å; Q721-L725 HydrophobicContact CG-CD1 4.38Å; Q721-L725 WeakPolarHBondContact O-CG 3.38Å; Q721-L725 PolarHBondContact O-N 3.05Å; Q721-L725 VanDerWaalsContact O-N 3.11Å
722T89.6Confident85.1Confident70 Ų7071.1 Ų71.143%0.42938%0.376SS..Hα-helixtrans-59.7-43.3179490000111.9Q720 F724 L725 R726Q720-T722 WeakPolarHBondContact CB-OG1 3.38Å; Q720-T722 PolarHBondContact O-N 3.06Å; Q720-T722 PolarHBondContact OE1-OG1 3.49Å; T722-F724 PolarHBondContact O-N 3.35Å; T722-L725 PolarHBondContact O-N 3.48Å; T722-R726 WeakPolarHBondContact O-CG 3.37Å; T722-R726 PolarHBondContact O-N 3.35Å
723H90.4Very high85.5Confident2 Ų270.8 Ų70.81%0.00938%0.379CS..Hα-helixtrans-64.7-40.2178.8-48.3-53.1000111.3A704 L707 E711 I719 Q720 Q721 L725 R726 S727A704-H723 HydrophobicContact CB-CB 4.39Å; L707-H723 HydrophobicContact CB-CB 4.25Å; E711-H723 IonicContact OE1-ND1 3.27Å; E711-H723 IonicContact OE2-CE1 2.78Å; E711-H723 PolarHBondContact OE2-CE1 3.36Å; E711-H723 IonicContact OE2-ND1 3.84Å; E711-H723 PolarHBondContact OE2-ND1 3.35Å; E711-H723 VanDerWaalsContact OE2-ND1 3.15Å; I719-H723 HydrophobicContact CG2-CB 4.39Å; Q720-H723 PolarHBondContact N-CD2 3.16Å; Q720-H723 VanDerWaalsContact N-CD2 3.27Å; Q720-H723 PolarHBondContact O-N 2.86Å; Q721-H723 PolarHBondContact O-N 2.61Å; H723-L725 PolarHBondContact O-N 3.28Å; H723-R726 PolarHBondContact O-N 2.63Å; H723-S727 PolarHBondContact O-N 3.03Å; H723-S727 PolarHBondContact O-OG 3.35Å; H723-S727 VanDerWaalsContact O-OG 3.07Å
724F90.3Very high85.8Confident0 Ų067.4 Ų67.40%037%0.366CS..Hα-helixtrans-61.9-43.7175.1-73.6-77.1000112.2V676 V680 L685 A704 I719 Q720 Q721 T722 S727 I728V676-F724 HydrophobicContact CG1-CE2 4.39Å; V680-F724 HydrophobicContact CG1-CD2 4.18Å; V680-F724 HydrophobicContact CG1-CE2 4.01Å; V680-F724 HydrophobicContact CG2-CE2 4.46Å; L685-F724 HydrophobicContact CD1-CB 3.98Å; L685-F724 HydrophobicContact CD1-CD1 4.04Å; L685-F724 HydrophobicContact CD1-CD2 4.19Å; L685-F724 HydrophobicContact CD1-CG 3.82Å; L685-F724 HydrophobicContact CD2-CB 3.77Å; A704-F724 HydrophobicContact CB-CD1 3.55Å; A704-F724 HydrophobicContact CB-CD2 4.37Å; A704-F724 HydrophobicContact CB-CE1 3.64Å; A704-F724 HydrophobicContact CB-CE2 4.45Å; A704-F724 HydrophobicContact CB-CG 3.94Å; A704-F724 HydrophobicContact CB-CZ 4.1Å; I719-F724 HydrophobicContact CB-CE2 4.26Å; I719-F724 HydrophobicContact CG2-CD2 4.04Å; I719-F724 HydrophobicContact CG2-CE2 3.43Å; I719-F724 VanDerWaalsContact CG2-CE2 3.43Å; I719-F724 HydrophobicContact CG2-CZ 3.88Å; Q720-F724 WeakPolarHBondContact O-CD2 3.35Å; Q721-F724 PolarHBondContact O-N 3.49Å; T722-F724 PolarHBondContact O-N 3.35Å; F724-S727 PolarHBondContact O-N 2.99Å; F724-I728 WeakPolarHBondContact O-CG1 3.34Å; F724-I728 PolarHBondContact O-N 3.28Å
725L90.6Very high86.1Confident60 Ų6060.6 Ų60.631%0.31433%0.333SS..Hα-helixtrans-64.9-39.9178.5-66.9175.7000111.9L685 K688 Q721 T722 H723 I728 T729L685-L725 HydrophobicContact CD2-CD2 4.38Å; K688-L725 HydrophobicContact CD-CD2 3.96Å; Q721-L725 HydrophobicContact CG-CD1 4.38Å; Q721-L725 WeakPolarHBondContact O-CG 3.38Å; Q721-L725 PolarHBondContact O-N 3.05Å; Q721-L725 VanDerWaalsContact O-N 3.11Å; T722-L725 PolarHBondContact O-N 3.48Å; H723-L725 PolarHBondContact O-N 3.28Å; L725-I728 PolarHBondContact O-N 3.19Å; L725-T729 PolarHBondContact O-N 3.33Å
726R88.8Confident86.5Confident142 Ų14255.7 Ų55.754%0.53632%0.315SS..Hα-helixtrans-64.3-41.5174.1-68.7-176.885.9175.18.6111.6L707 E711 T722 H723 I728 T729 K730L707-R726 HydrophobicContact CD1-CB 3.96Å; E711-R726 IonicContact OE1-CZ 3.05Å; E711-R726 IonicContact OE1-NH1 3.64Å; E711-R726 PolarHBondContact OE1-NH1 3.09Å; T722-R726 WeakPolarHBondContact O-CG 3.37Å; T722-R726 PolarHBondContact O-N 3.35Å; H723-R726 PolarHBondContact O-N 2.63Å; R726-I728 VanDerWaalsContact C-N 3.35Å; R726-I728 PolarHBondContact O-N 3.48Å; R726-T729 PolarHBondContact O-N 3.46Å; R726-T729 PolarHBondContact O-OG1 3.07Å; R726-K730 PolarHBondContact O-N 3.11Å
727S90Very high87Confident0 Ų057.6 Ų57.60%033%0.331CS..Hα-helixtrans-61.9-41175-63.10000112.3A704 L707 H723 F724 T729 K730 M731A704-S727 WeakPolarHBondContact CA-OG 3.24Å; A704-S727 PolarHBondContact N-OG 3.38Å; L707-S727 VanDerWaalsContact CD1-OG 3.28Å; L707-S727 WeakPolarHBondContact CD1-OG 3.41Å; H723-S727 PolarHBondContact O-N 3.03Å; H723-S727 PolarHBondContact O-OG 3.35Å; H723-S727 VanDerWaalsContact O-OG 3.07Å; F724-S727 PolarHBondContact O-N 2.99Å; S727-T729 VanDerWaalsContact C-N 3.3Å; S727-T729 PolarHBondContact O-N 3.35Å; S727-K730 PolarHBondContact O-N 3.18Å; S727-K730 VanDerWaalsContact O-N 3.11Å; S727-M731 WeakPolarHBondContact O-CG 3.4Å; S727-M731 PolarHBondContact O-N 3.38Å
728I89.6Confident87.2Confident29 Ų2960.9 Ų60.915%0.14934%0.336CS..Hα-helixtrans-60.5-39.7175.6-68.2168.1000111.1L685 K688 T689 L700 F724 L725 R726 K730 M731L685-I728 HydrophobicContact CD2-CD1 3.92Å; K688-I728 HydrophobicContact CB-CD1 4.27Å; T689-I728 HydrophobicContact CG2-CD1 4.2Å; T689-I728 HydrophobicContact CG2-CG1 4.39Å; L700-I728 HydrophobicContact CD1-CG1 3.67Å; L700-I728 HydrophobicContact CD2-CG1 4.11Å; F724-I728 WeakPolarHBondContact O-CG1 3.34Å; F724-I728 PolarHBondContact O-N 3.28Å; L725-I728 PolarHBondContact O-N 3.19Å; R726-I728 VanDerWaalsContact C-N 3.35Å; R726-I728 PolarHBondContact O-N 3.48Å; I728-K730 VanDerWaalsContact C-N 3.28Å; I728-K730 PolarHBondContact O-N 2.96Å; I728-M731 VanDerWaalsContact O-O 3.09Å
729T87.6Confident86.9Confident123 Ų12363.5 Ų63.576%0.75535%0.345SS*.Hα-helixtrans-68.6-26.6177.3540000113.7L725 R726 S727L725-T729 PolarHBondContact O-N 3.33Å; R726-T729 PolarHBondContact O-N 3.46Å; R726-T729 PolarHBondContact O-OG1 3.07Å; S727-T729 VanDerWaalsContact C-N 3.3Å; S727-T729 PolarHBondContact O-N 3.35Å
730K86.1Confident86.6Confident139 Ų13964.5 Ų64.560%0.60435%0.35SS*.Hα-helixtrans-85.4-31.9-178.9-172.5-176.4171.5-159.60112.3E703 R726 S727 I728E703-K730 IonicContact OE2-NZ 2.64Å; E703-K730 PolarHBondContact OE2-NZ 2.98Å; R726-K730 PolarHBondContact O-N 3.11Å; S727-K730 PolarHBondContact O-N 3.18Å; S727-K730 VanDerWaalsContact O-N 3.11Å; I728-K730 VanDerWaalsContact C-N 3.28Å; I728-K730 PolarHBondContact O-N 2.96Å
731M85.6Confident86.2Confident39 Ų3963.7 Ų63.719%0.19235%0.353CS..PPolyproline II helixtrans-95136.1-175.9-64.9179.27600112Y692 N699 L700 E703 S727 I728Y692-M731 PolarHBondContact OH-O 3.47Å; N699-M731 HydrophobicContact CB-CE 3.59Å; L700-M731 HydrophobicContact CB-SD 4.16Å; L700-M731 HydrophobicContact CD1-SD 4.09Å; E703-M731 HydrophobicContact CB-SD 4.33Å; E703-M731 HydrophobicContact CG-SD 4.05Å; S727-M731 WeakPolarHBondContact O-CG 3.4Å; S727-M731 PolarHBondContact O-N 3.38Å; I728-M731 VanDerWaalsContact O-O 3.09Å
732S82.8Confident85.7Confident97 Ų9764.1 Ų64.168%0.67836%0.36SS*.PPolyproline II helixtrans-94148.2168.150.90000111.2
733P86.6Confident85.2Confident57 Ų5762.4 Ų62.437%0.3735%0.345SS..PPolyproline II helixtrans-67.5136.3174.927.3-33.3000110.8L691 Y692 L735L691-P733 HydrophobicContact CB-CB 4.13Å; Y692-P733 HydrophobicContact CD2-CB 3.99Å; Y692-P733 HydrophobicContact CE2-CB 3.93Å; P733-L735 VanDerWaalsContact C-N 3.31Å; P733-L735 PolarHBondContact O-N 2.8Å
734S83.1Confident84.3Confident70 Ų7067.6 Ų67.649%0.4937%0.373SS..SBendtrans-75.3-20179.3-65.10000113.4D696D696-S734 WeakPolarHBondContact OD1-CB 3.28Å; D696-S734 PolarHBondContact OD1-OG 2.91Å; D696-S734 VanDerWaalsContact OD2-CB 3.24Å; D696-S734 WeakPolarHBondContact OD2-CB 3.46Å; D696-S734 PolarHBondContact OD2-N 3.3Å; D696-S734 PolarHBondContact OD2-OG 3.48Å
735L84.9Confident82.9Confident2 Ų272.9 Ų72.91%0.0140%0.4CS..  trans-102.7134-175.9-55176.4000111.7P498 P657 L691 P733P498-L735 HydrophobicContact CB-CD1 4.38Å; P498-L735 HydrophobicContact CB-CD2 3.48Å; P498-L735 VanDerWaalsContact CB-CD2 3.48Å; P498-L735 HydrophobicContact CG-CD2 4.42Å; P657-L735 HydrophobicContact CB-CD1 3.83Å; L691-L735 WeakPolarHBondContact O-CB 3.44Å; P733-L735 VanDerWaalsContact C-N 3.31Å; P733-L735 PolarHBondContact O-N 2.8Å
736T86.2Confident80.9Confident72 Ų7274.8 Ų74.844%0.44242%0.416SS..  trans-104.8148.8169.635.40000111.6Q738 Q739 I740T736-Q738 PolarHBondContact O-N 2.64Å; T736-Q739 WeakPolarHBondContact O-CB 3.39Å; T736-Q739 PolarHBondContact O-N 2.98Å; T736-Q739 VanDerWaalsContact O-N 3.09Å; T736-Q739 VanDerWaalsContact OG1-CG 3.23Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.5Å; T736-Q739 PolarHBondContact OG1-OE1 2.87Å; T736-Q739 VanDerWaalsContact OG1-OE1 3.1Å; T736-I740 PolarHBondContact O-N 3.28Å; T736-I740 VanDerWaalsContact O-N 3.16Å
737A82.6Confident78.9Confident69 Ų6974.5 Ų74.557%0.5742%0.42SS*.Hα-helixtrans-58.3-33.5177.100000112.6I740 S741A737-I740 PolarHBondContact O-N 2.99Å; A737-S741 PolarHBondContact O-N 3.34Å
738Q82.4Confident76.1Confident161 Ų16187.1 Ų87.175%0.75248%0.479SS*.Hα-helixtrans-63.8-44.4175-68.8-179.1-700111.9T736 I740 S741 S742T736-Q738 PolarHBondContact O-N 2.64Å; Q738-I740 VanDerWaalsContact C-N 3.34Å; Q738-I740 PolarHBondContact O-N 3.07Å; Q738-S741 PolarHBondContact O-N 3.01Å; Q738-S741 PolarHBondContact O-OG 3.23Å; Q738-S742 PolarHBondContact O-N 3.1Å; Q738-S742 VanDerWaalsContact O-N 3.09Å
739Q80.4Confident75.4Confident85 Ų8590 Ų9040%0.39750%0.496SS..Hα-helixtrans-60.9-43.2175.2-72.5170.3-19.800111.5T736 S741 S742 Y743T736-Q739 WeakPolarHBondContact O-CB 3.39Å; T736-Q739 PolarHBondContact O-N 2.98Å; T736-Q739 VanDerWaalsContact O-N 3.09Å; T736-Q739 VanDerWaalsContact OG1-CG 3.23Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.5Å; T736-Q739 PolarHBondContact OG1-OE1 2.87Å; T736-Q739 VanDerWaalsContact OG1-OE1 3.1Å; Q739-S741 VanDerWaalsContact C-N 3.33Å; Q739-S741 PolarHBondContact O-N 2.8Å; Q739-S742 WeakPolarHBondContact O-CB 3.35Å; Q739-S742 PolarHBondContact O-N 3.41Å; Q739-S742 VanDerWaalsContact O-N 3.11Å; Q739-S742 PolarHBondContact O-OG 3.18Å; Q739-Y743 WeakPolarHBondContact O-CD2 3.48Å; Q739-Y743 WeakPolarHBondContact O-CE2 3.38Å
740I81.6Confident74.8Confident29 Ų2988.3 Ų88.315%0.14948%0.482CS..Hα-helixtrans-61-45178.3-61.9166.7000110.6P657 L691 T736 A737 Q738 S742 Y743 L744P657-I740 HydrophobicContact CG-CD1 4Å; P657-I740 HydrophobicContact CG-CG1 4.24Å; P657-I740 HydrophobicContact CG-CG2 4.36Å; L691-I740 HydrophobicContact CD2-CD1 3.71Å; T736-I740 PolarHBondContact O-N 3.28Å; T736-I740 VanDerWaalsContact O-N 3.16Å; A737-I740 PolarHBondContact O-N 2.99Å; Q738-I740 VanDerWaalsContact C-N 3.34Å; Q738-I740 PolarHBondContact O-N 3.07Å; I740-S742 PolarHBondContact O-N 2.96Å; I740-Y743 PolarHBondContact O-N 2.78Å; I740-Y743 VanDerWaalsContact O-N 3.11Å; I740-L744 HydrophobicContact CG2-CD1 4.17Å; I740-L744 PolarHBondContact O-N 3.21Å
741S80.6Confident74.2Confident60 Ų6085.4 Ų85.442%0.4248%0.475SS..Hα-helixtrans-59.3-34.417775.30000112.4A737 Q738 Q739 Y743 L744 I745A737-S741 PolarHBondContact O-N 3.34Å; Q738-S741 PolarHBondContact O-N 3.01Å; Q738-S741 PolarHBondContact O-OG 3.23Å; Q739-S741 VanDerWaalsContact C-N 3.33Å; Q739-S741 PolarHBondContact O-N 2.8Å; S741-Y743 PolarHBondContact O-N 2.68Å; S741-L744 PolarHBondContact O-N 3.09Å; S741-L744 VanDerWaalsContact O-N 3.17Å; S741-I745 WeakPolarHBondContact O-CG1 3.23Å; S741-I745 PolarHBondContact O-N 3.14Å
742S80.1Confident73.5Confident41 Ų4188.2 Ų88.229%0.28749%0.492SS..Hα-helixtrans-64.1-24.9178.680.90000114.3Q738 Q739 I740Q738-S742 PolarHBondContact O-N 3.1Å; Q738-S742 VanDerWaalsContact O-N 3.09Å; Q739-S742 WeakPolarHBondContact O-CB 3.35Å; Q739-S742 PolarHBondContact O-N 3.41Å; Q739-S742 VanDerWaalsContact O-N 3.11Å; Q739-S742 PolarHBondContact O-OG 3.18Å; I740-S742 PolarHBondContact O-N 2.96Å
743Y79.3Confident72.9Confident33 Ų3387.6 Ų87.613%0.12948%0.48CS..Hα-helixtrans-88.1-23177-64.9-77000113.1Y496 G497 P498 N634 P636 Y654 Q739 I740 S741Y496-Y743 HydrophobicContact CD2-CD1 4.27Å; G497-Y743 WeakPolarHBondContact O-CE1 3.3Å; G497-Y743 PolarHBondContact O-OH 3.38Å; P498-Y743 HydrophobicContact CB-CE2 4.35Å; N634-Y743 WeakPolarHBondContact O-CE1 3.32Å; N634-Y743 PolarHBondContact O-OH 2.68Å; P636-Y743 HydrophobicContact CG-CD1 4.05Å; P636-Y743 HydrophobicContact CG-CE1 4.22Å; Y654-Y743 HydrophobicContact CE2-CG 4.18Å; Q739-Y743 WeakPolarHBondContact O-CD2 3.48Å; Q739-Y743 WeakPolarHBondContact O-CE2 3.38Å; I740-Y743 PolarHBondContact O-N 2.78Å; I740-Y743 VanDerWaalsContact O-N 3.11Å; S741-Y743 PolarHBondContact O-N 2.68Å
744L71.8Confident72Confident111 Ų11189.7 Ų89.758%0.58149%0.488SS*.Hα-helixtrans-85.9-19.4-178.1-70.7173.1000113.1Y654 I740 S741 P746Y654-L744 HydrophobicContact CE1-CD2 4.06Å; I740-L744 HydrophobicContact CG2-CD1 4.17Å; I740-L744 PolarHBondContact O-N 3.21Å; S741-L744 PolarHBondContact O-N 3.09Å; S741-L744 VanDerWaalsContact O-N 3.17Å; L744-P746 WeakPolarHBondContact O-CD 3.47Å
745I59.4Low71.2Confident111 Ų11191.1 Ų91.157%0.56949%0.488SS*.SBendtrans-71.2108.7173-61.1162.1000107.1S741S741-I745 WeakPolarHBondContact O-CG1 3.23Å; S741-I745 PolarHBondContact O-N 3.14Å
746P49.4Very low70.1Confident101 Ų10197.9 Ų97.966%0.65652%0.524SS*.  trans-67149.2-179.927.8-29000109.8L744 Q748L744-P746 WeakPolarHBondContact O-CD 3.47Å; P746-Q748 PolarHBondContact O-N 3.38Å
747H47.6Very low68.8Low136 Ų136100.1 Ų100.163%0.6353%0.531SS*.  trans-48109.1166.5-72.1-89.2000109.4
748Q30.6Very low67.6Low264 Ų264102.9 Ų102.9100%1.23453%0.528SS*.  trans-85.30153.6-82.8-170-9.600108.7P746P746-Q748 PolarHBondContact O-N 3.38Å

Retrieved 748 of 748 residues in 704 ms (Link to these results)

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