A0A060X621_ONCMY Loading...

Actin-related protein 10

Part of the dynactin complex that activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB , UniProt , Accession A0A060X621, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ACTR10, Length 417 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
1M38.4Very low47.1Very low220 Ų220105.5 Ų105.5100%1.08466%0.664SS**  0134.80-64.6-175.1-15500107.6L3M1-L3 PolarHBondContact O-N 3.5Å
2P42Very low48.3Very low77 Ų77105.3 Ų105.350%0.565%0.649SS.*  trans-62.4132172.326.6-29.7000108.6F4P2-F4 PolarHBondContact O-N 3.39Å
3L47.5Very low50.3Low169 Ų169104.4 Ų104.489%0.88563%0.631SS**THydrogen-bonded Turntrans-57.73.3-175.2-83.8151.5000115.6M1M1-L3 PolarHBondContact O-N 3.5Å
4F51.8Low52.7Low68 Ų6899 Ų9930%0.29860%0.598SS.*THydrogen-bonded Turntrans-126.14.6-161.3-70.1-61.2000114.7P2 G6 R36 L81P2-F4 PolarHBondContact O-N 3.39Å; F4-G6 PolarHBondContact O-N 3.41Å; F4-R36 PolarHBondContact O-NH2 2.73Å; F4-L81 HydrophobicContact CD2-CB 4.16Å; F4-L81 HydrophobicContact CD2-CD1 4.2Å; F4-L81 HydrophobicContact CE2-CB 4.18Å; F4-L81 HydrophobicContact CE2-CD1 3.39Å; F4-L81 HydrophobicContact CE2-CG 4.39Å; F4-L81 HydrophobicContact CZ-CD1 3.92Å
5E50.5Low55.1Low106 Ų10692.8 Ų92.850%0.49556%0.562SS.*  trans-69.6101.5174.7-126.3166.5-164.800109.5
6G51.7Low57.5Low33 Ų3387 Ų8734%0.3453%0.527SS..  trans-57.7143.716300000109.3F4 G8F4-G6 PolarHBondContact O-N 3.41Å; G6-G8 PolarHBondContact O-N 2.95Å
7L49.9Very low59.6Low187 Ų18781.9 Ų81.998%0.97950%0.496SS*.  trans-63.680.4178.1-75155.6000110.3S9L7-S9 PolarHBondContact O-N 2.78Å
8G47.9Very low61.6Low40 Ų4077.5 Ų77.541%0.41247%0.469SS..  trans-71.9121170.200000109.8G6 G10G6-G8 PolarHBondContact O-N 2.95Å; G8-G10 PolarHBondContact O-N 2.71Å
9S43.5Very low63.3Low110 Ų11074.4 Ų74.477%0.76945%0.45SS*.THydrogen-bonded Turntrans-73.9116.8167.5-178.30000108.8L7 Q365L7-S9 PolarHBondContact O-N 2.78Å; S9-Q365 PolarHBondContact O-NE2 2.78Å
10G46.2Very low64.7Low66 Ų6672.2 Ų72.268%0.6844%0.435SS*.THydrogen-bonded Turntrans10824.8166.800000118.1G8 E12G8-G10 PolarHBondContact O-N 2.71Å; G10-E12 PolarHBondContact O-N 2.95Å
11G48.5Very low65.7Low84 Ų8469.8 Ų69.887%0.86643%0.425SS*.SBendtrans72-7169.700000116
12E61.3Low68Low103 Ų10360 Ų6048%0.48138%0.379SS..PPolyproline II helixtrans-86.8135.3170.5-68.2-164.214900111.4G10 R88G10-E12 PolarHBondContact O-N 2.95Å; E12-R88 IonicContact OE1-NH2 3.42Å
13K74.7Confident70.2Confident94 Ų9457.2 Ų57.241%0.40936%0.362SS..PPolyproline II helixtrans-73.2129.8178.8-66.1-179179.3174.20109.7A15 D86 R87K13-A15 PolarHBondContact O-N 3.47Å; K13-D86 HydrophobicContact CD-CB 3.77Å; K13-D86 IonicContact NZ-OD1 3.75Å; K13-D86 IonicContact NZ-OD2 2.71Å; K13-D86 PolarHBondContact NZ-OD2 2.99Å; K13-R87 HydrophobicContact CB-CG 3.81Å; K13-R87 HydrophobicContact CD-CG 4.35Å
14T84.1Confident72.3Confident29 Ų2953 Ų5318%0.17834%0.335CS..PPolyproline II helixtrans-50.8135.3175.653.30000112.5R87T14-R87 WeakPolarHBondContact O-CD 3.44Å; T14-R87 PolarHBondContact O-NH1 3.03Å; T14-R87 PolarHBondContact OG1-NH1 3.42Å
15A88.8Confident74.3Confident6 Ų649.7 Ų49.75%0.0532%0.321CS..PPolyproline II helixtrans-68.6151.3177.700000111.4K13 F29 A30 R88 L368K13-A15 PolarHBondContact O-N 3.47Å; A15-F29 WeakPolarHBondContact O-CA 3.38Å; A15-A30 HydrophobicContact CB-CB 4.09Å; A15-A30 PolarHBondContact O-N 2.86Å; A15-R88 WeakPolarHBondContact CA-O 3.19Å; A15-R88 HydrophobicContact CB-CB 4.39Å; A15-L368 HydrophobicContact CB-CD1 3.66Å
16V92.6Very high76.4Confident0 Ų045 Ų450%030%0.299CS..EExtended strand (participates in β ladder)trans-90.1132.7174.4177.20000108.8I18 F29 Y76 L80 R87 R88 V89 L90V16-I18 HydrophobicContact CG1-CD1 4.22Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; V16-F29 HydrophobicContact CG2-CD1 4.35Å; V16-F29 HydrophobicContact CG2-CE1 4.1Å; V16-Y76 HydrophobicContact CG1-CE1 4.44Å; V16-Y76 HydrophobicContact CG2-CE1 4.12Å; V16-L80 HydrophobicContact CG1-CD1 3.43Å; V16-L80 VanDerWaalsContact CG1-CD1 3.43Å; V16-L80 HydrophobicContact CG2-CD1 4.36Å; V16-R87 HydrophobicContact CG2-CB 4.26Å; V16-R88 PolarHBondContact N-O 3.45Å; V16-V89 WeakPolarHBondContact O-CA 3.46Å; V16-L90 PolarHBondContact O-N 2.93Å
17V94.3Very high78.4Confident0 Ų043.5 Ų43.50%028%0.283CS..EExtended strand (participates in β ladder)trans-112.2121.7177.5-176.30000109.3C27 G28 A30 L90 I92 W355V17-C27 WeakPolarHBondContact O-CA 3.11Å; V17-G28 PolarHBondContact N-O 2.75Å; V17-G28 PolarHBondContact O-N 3.17Å; V17-G28 VanDerWaalsContact O-N 3.14Å; V17-A30 HydrophobicContact CG2-CB 4.14Å; V17-L90 WeakPolarHBondContact CA-O 3.45Å; V17-L90 HydrophobicContact CG1-CD2 4.24Å; V17-L90 HydrophobicContact CG2-CB 4.31Å; V17-L90 HydrophobicContact CG2-CD2 4.19Å; V17-I92 HydrophobicContact CG1-CD1 3.68Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; V17-W355 HydrophobicContact CB-CZ2 4.21Å; V17-W355 HydrophobicContact CG1-CG 4.48Å; V17-W355 PolarHBondContact O-NE1 3Å; V17-W355 VanDerWaalsContact O-NE1 3.16Å
18I94.8Very high80.5Confident3 Ų334.6 Ų34.62%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-122.8122.1-179.3-50.6179.2000108.4V16 L20 T25 L75 Y76 V89 L90 I91 I92 F109V16-I18 HydrophobicContact CG1-CD1 4.22Å; V16-I18 HydrophobicContact CG1-CG1 3.87Å; I18-L20 HydrophobicContact CG2-CD2 3.97Å; I18-L20 HydrophobicContact CG2-CG 3.9Å; I18-T25 HydrophobicContact CG2-CG2 4.04Å; I18-L75 HydrophobicContact CD1-CD2 4.05Å; I18-L75 HydrophobicContact CG1-CD2 4.45Å; I18-L75 HydrophobicContact CG2-CD1 4.08Å; I18-Y76 HydrophobicContact CD1-CE2 4.23Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.29Å; I18-L90 PolarHBondContact N-O 3.02Å; I18-I91 CarbonylContact O-C 3.59Å; I18-I91 WeakPolarHBondContact O-CA 3.5Å; I18-I92 PolarHBondContact O-N 3.22Å; I18-F109 HydrophobicContact CD1-CE1 4.25Å; I18-F109 HydrophobicContact CD1-CZ 3.83Å
19D94.1Very high82.6Confident19 Ų1932.8 Ų32.810%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-109.1106.8172179.9-1.5000108.1T25 K26 I92 W355D19-T25 CarbonylContact O-C 3.48Å; D19-T25 VanDerWaalsContact O-CA 3.27Å; D19-T25 WeakPolarHBondContact O-CA 3.28Å; D19-T25 WeakPolarHBondContact O-CG2 3.48Å; D19-K26 HydrophobicContact CB-CB 4.17Å; D19-K26 HydrophobicContact CB-CD 4.44Å; D19-K26 PolarHBondContact N-O 3.31Å; D19-K26 PolarHBondContact O-N 3.26Å; D19-I92 HydrophobicContact CB-CB 4.12Å; D19-I92 HydrophobicContact CB-CD1 4.04Å; D19-W355 HydrophobicContact CB-CB 4.29Å
20L90.7Very high84.8Confident30 Ų3028 Ų2816%0.15718%0.184CC..EExtended strand (participates in β ladder)trans-92.8103-176.2-71.1169.9000109.9I18 T25 F71 I91 I92 L105I18-L20 HydrophobicContact CG2-CD2 3.97Å; I18-L20 HydrophobicContact CG2-CG 3.9Å; L20-T25 HydrophobicContact CD2-CG2 3.77Å; L20-F71 HydrophobicContact CD2-CD1 4.49Å; L20-F71 HydrophobicContact CD2-CE1 3.8Å; L20-I91 HydrophobicContact CD1-CG2 4.15Å; L20-I92 PolarHBondContact N-O 3.03Å; L20-L105 HydrophobicContact CD1-CD1 3.19Å
21G87.1Confident86.7Confident21 Ų2127.5 Ų27.522%0.21618%0.179CC..  trans-101.4160.9172.400000112.7A23 Y24 S41 V55G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 2.79Å; G21-Y24 VanDerWaalsContact CA-O 3.3Å; G21-Y24 WeakPolarHBondContact CA-O 3.38Å; G21-Y24 PolarHBondContact N-O 2.84Å; G21-S41 VanDerWaalsContact O-CB 3.26Å; G21-S41 WeakPolarHBondContact O-CB 3.36Å; G21-S41 PolarHBondContact O-OG 2.8Å; G21-V55 WeakPolarHBondContact O-CG2 3.4Å
22A86.6Confident88.6Confident16 Ų1625.7 Ų25.713%0.13215%0.148CC..SBendtrans-65.1-33.3177.400000113.9Y143 T144A22-Y143 HydrophobicContact CB-CD1 3.98Å; A22-T144 HydrophobicContact CB-CG2 3.73Å
23A88.4Confident89.8Confident17 Ų1727.1 Ų27.114%0.1416%0.164CC..SBendtrans-101.2-45.8177.800000112.8G21 P40 S41 Y143G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 2.79Å; A23-P40 WeakPolarHBondContact O-CA 3.42Å; A23-S41 PolarHBondContact O-N 3.47Å; A23-Y143 HydrophobicContact CB-CD1 4.24Å; A23-Y143 HydrophobicContact CB-CD2 3.69Å; A23-Y143 HydrophobicContact CB-CE2 4.33Å; A23-Y143 HydrophobicContact CB-CG 3.64Å
24Y91.8Very high90.6Very high80 Ų8023.9 Ų23.931%0.31416%0.157SC..EExtended strand (participates in β ladder)trans-131138.6-176.3-68.5-85000111.3G21 I38 I39 E208G21-Y24 VanDerWaalsContact CA-O 3.3Å; G21-Y24 WeakPolarHBondContact CA-O 3.38Å; G21-Y24 PolarHBondContact N-O 2.84Å; Y24-I38 HydrophobicContact CD1-CG2 4.09Å; Y24-I38 HydrophobicContact CG-CG2 4.39Å; Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.12Å; Y24-E208 WeakPolarHBondContact CE2-OE2 3.38Å; Y24-E208 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E208 VanDerWaalsContact OH-CD 3.25Å; Y24-E208 PolarHBondContact OH-OE2 3.15Å
25T93.7Very high91Very high0 Ų023.8 Ų23.80%016%0.157CC..EExtended strand (participates in β ladder)trans-105.4132.7170.4-660000109.6I18 D19 L20 I38 I39 S41 F71 L75I18-T25 HydrophobicContact CG2-CG2 4.04Å; D19-T25 CarbonylContact O-C 3.48Å; D19-T25 VanDerWaalsContact O-CA 3.27Å; D19-T25 WeakPolarHBondContact O-CA 3.28Å; D19-T25 WeakPolarHBondContact O-CG2 3.48Å; L20-T25 HydrophobicContact CD2-CG2 3.77Å; T25-I38 WeakPolarHBondContact O-CA 3.26Å; T25-I39 PolarHBondContact N-O 2.89Å; T25-I39 PolarHBondContact O-N 2.86Å; T25-S41 PolarHBondContact N-OG 3.21Å; T25-S41 VanDerWaalsContact N-OG 3.14Å; T25-S41 PolarHBondContact OG1-OG 3.4Å; T25-F71 HydrophobicContact CG2-CE1 3.97Å; T25-F71 HydrophobicContact CG2-CZ 3.91Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.23Å; T25-L75 HydrophobicContact CG2-CD1 3.92Å
26K94.3Very high91Very high8 Ų827 Ų274%0.03517%0.168CC..EExtended strand (participates in β ladder)trans-109.9133.4177-53.8152.6-177.9470108.5D19 P35 I38 N351 W355D19-K26 HydrophobicContact CB-CB 4.17Å; D19-K26 HydrophobicContact CB-CD 4.44Å; D19-K26 PolarHBondContact N-O 3.31Å; D19-K26 PolarHBondContact O-N 3.26Å; K26-P35 HydrophobicContact CB-CB 4.04Å; K26-P35 HydrophobicContact CB-CG 4.39Å; K26-I38 HydrophobicContact CG-CD1 4.44Å; K26-I38 HydrophobicContact CG-CG1 4.06Å; K26-I38 HydrophobicContact CG-CG2 4.06Å; K26-N351 VanDerWaalsContact CE-CG 3.5Å; K26-N351 WeakPolarHBondContact CE-O 3.48Å; K26-N351 WeakPolarHBondContact CE-OD1 2.86Å; K26-N351 PolarHBondContact NZ-OD1 3.37Å; K26-W355 HydrophobicContact CB-CB 4.46Å; K26-W355 HydrophobicContact CB-CG 4.17Å; K26-W355 HydrophobicContact CD-CB 4.24Å
27C93.6Very high91Very high0 Ų030.5 Ų30.50%018%0.183CC..EExtended strand (participates in β ladder)trans-137.8150.6179.468.10000112.2V17 R36 F37 L75 L80V17-C27 WeakPolarHBondContact O-CA 3.11Å; C27-R36 PolarHBondContact O-N 3.08Å; C27-F37 PolarHBondContact N-O 3.25Å; C27-F37 PolarHBondContact O-N 2.68Å; C27-F37 VanDerWaalsContact O-N 3.15Å; C27-L75 HydrophobicContact CB-CD1 4.12Å; C27-L75 HydrophobicContact CB-CD2 4.09Å; C27-L75 HydrophobicContact CB-CG 4.19Å; C27-L80 HydrophobicContact CB-CD2 4.26Å
28G93.1Very high91Very high0 Ų034.3 Ų34.30%020%0.203CC..EExtended strand (participates in β ladder)trans175.2-157.6176.200000110.9V17V17-G28 PolarHBondContact N-O 2.75Å; V17-G28 PolarHBondContact O-N 3.17Å; V17-G28 VanDerWaalsContact O-N 3.14Å
29F91.7Very high90.9Very high3 Ų335 Ų351%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-111.4151.2-176.9-62.3-89.3000112.2A15 V16 E32 R36 L80 V82A15-F29 WeakPolarHBondContact O-CA 3.38Å; V16-F29 HydrophobicContact CG2-CD1 4.35Å; V16-F29 HydrophobicContact CG2-CE1 4.1Å; F29-E32 HydrophobicContact CB-CG 4.19Å; F29-E32 PolarHBondContact N-OE2 3Å; F29-E32 VanDerWaalsContact N-OE2 3.08Å; F29-E32 PolarHBondContact O-N 2.96Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.48Å; F29-R36 VanDerWaalsContact CE2-NH1 3.29Å; F29-L80 HydrophobicContact CE2-CD2 4.1Å; F29-L80 HydrophobicContact CZ-CB 4.41Å; F29-L80 HydrophobicContact CZ-CD2 4.35Å; F29-V82 HydrophobicContact CE1-CG1 4.13Å; F29-V82 HydrophobicContact CE1-CG2 4.14Å; F29-V82 HydrophobicContact CZ-CG1 3.78Å; F29-V82 HydrophobicContact CZ-CG2 4.03Å
30A90.3Very high90.7Very high8 Ų837.2 Ų37.27%0.06622%0.222CC..THydrogen-bonded Turntrans-60.4141.1170.100000110.9A15 V17 E32 G362A15-A30 HydrophobicContact CB-CB 4.09Å; A15-A30 PolarHBondContact O-N 2.86Å; V17-A30 HydrophobicContact CG2-CB 4.14Å; A30-E32 VanDerWaalsContact C-N 3.33Å; A30-G362 VanDerWaalsContact CB-C 3.5Å
31G86.4Confident90.6Very high57 Ų5735.8 Ų35.859%0.58821%0.214SC*.THydrogen-bonded Turntrans85.4-6.4-176.800000115.4A359G31-A359 PolarHBondContact N-O 2.84Å
32E89.4Confident90.7Very high46 Ų4637 Ų3722%0.21522%0.215CC..  trans-82.8148.5174.2-62.5-176.4147.300111.7F29 A30 G34 R36 W355F29-E32 HydrophobicContact CB-CG 4.19Å; F29-E32 PolarHBondContact N-OE2 3Å; F29-E32 VanDerWaalsContact N-OE2 3.08Å; F29-E32 PolarHBondContact O-N 2.96Å; A30-E32 VanDerWaalsContact C-N 3.33Å; E32-G34 PolarHBondContact O-N 2.87Å; E32-R36 IonicContact OE1-CZ 3.76Å; E32-R36 IonicContact OE1-NE 3.55Å; E32-R36 PolarHBondContact OE1-NE 3.17Å; E32-R36 IonicContact OE1-NH2 2.8Å; E32-R36 PolarHBondContact OE1-NH2 3.37Å; E32-R36 VanDerWaalsContact OE2-CG 3.28Å; E32-R36 WeakPolarHBondContact OE2-CG 3.45Å; E32-R36 IonicContact OE2-NE 3Å; E32-R36 PolarHBondContact OE2-NE 3.22Å; E32-W355 HydrophobicContact CB-CH2 4.18Å
33T86.4Confident90.7Very high133 Ų13336.7 Ų36.782%0.81621%0.21SC*.SBendtrans-76.9-8.7-17755.50000113.9
34G89.6Confident90.5Very high26 Ų2643.1 Ų43.127%0.26824%0.238SC..SBendtrans-168160.6179.300000111.5E32 W355E32-G34 PolarHBondContact O-N 2.87Å; G34-W355 VanDerWaalsContact C-CH2 3.4Å; G34-W355 VanDerWaalsContact CA-CZ3 3.46Å; G34-W355 VanDerWaalsContact O-CH2 3.22Å; G34-W355 WeakPolarHBondContact O-CH2 3.32Å; G34-W355 VanDerWaalsContact O-CZ3 3.31Å; G34-W355 WeakPolarHBondContact O-CZ3 3.4Å
35P92.6Very high89.8Confident27 Ų2741.6 Ų41.618%0.17523%0.233CC..  trans-65.4141.5-179.327.3-33.3000110.1K26 I38 C352 W355K26-P35 HydrophobicContact CB-CB 4.04Å; K26-P35 HydrophobicContact CB-CG 4.39Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 4.03Å; P35-I38 HydrophobicContact CG-CG1 3.96Å; P35-C352 HydrophobicContact CG-CB 4.46Å; P35-W355 HydrophobicContact CB-CD2 3.72Å; P35-W355 HydrophobicContact CB-CE3 4.04Å; P35-W355 HydrophobicContact CB-CG 4.17Å; P35-W355 HydrophobicContact CB-CH2 4.45Å; P35-W355 HydrophobicContact CB-CZ2 4.16Å; P35-W355 HydrophobicContact CB-CZ3 4.42Å; P35-W355 HydrophobicContact CG-CD2 4.27Å; P35-W355 HydrophobicContact CG-CE3 4.29Å
36R90.4Very high88.9Confident72 Ų7247.7 Ų47.727%0.27227%0.272SS..SBendtrans-70.7-40.4176-69.5-168.2175.1-175.83111.9F4 C27 F29 E32F4-R36 PolarHBondContact O-NH2 2.73Å; C27-R36 PolarHBondContact O-N 3.08Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.48Å; F29-R36 VanDerWaalsContact CE2-NH1 3.29Å; E32-R36 IonicContact OE1-CZ 3.76Å; E32-R36 IonicContact OE1-NE 3.55Å; E32-R36 PolarHBondContact OE1-NE 3.17Å; E32-R36 IonicContact OE1-NH2 2.8Å; E32-R36 PolarHBondContact OE1-NH2 3.37Å; E32-R36 VanDerWaalsContact OE2-CG 3.28Å; E32-R36 WeakPolarHBondContact OE2-CG 3.45Å; E32-R36 IonicContact OE2-NE 3Å; E32-R36 PolarHBondContact OE2-NE 3.22Å
37F92.4Very high87.8Confident74 Ų7451.5 Ų51.533%0.32531%0.314SS..EExtended strand (participates in β ladder)trans-135.2137.5-178.5-59.1-80.1000110.5C27 I39 H79C27-F37 PolarHBondContact N-O 3.25Å; C27-F37 PolarHBondContact O-N 2.68Å; C27-F37 VanDerWaalsContact O-N 3.15Å; F37-I39 HydrophobicContact CB-CG2 4.37Å; F37-H79 HydrophobicContact CB-CB 4.41Å; F37-H79 AromaticContact CD1-ND1 3.91Å; F37-H79 HydrophobicContact CD2-CB 3.76Å; F37-H79 HydrophobicContact CE2-CB 4.17Å; F37-H79 WeakPolarHBondContact CE2-O 3.42Å; F37-H79 HydrophobicContact CG-CB 4.04Å; F37-H79 AromaticContact CG-ND1 3.95Å
38I93Very high87Confident80 Ų8056.2 Ų56.241%0.4134%0.336SS..EExtended strand (participates in β ladder)trans-118.7112.8169.2-52.5-177.6000105.2Y24 T25 K26 P35Y24-I38 HydrophobicContact CD1-CG2 4.09Å; Y24-I38 HydrophobicContact CG-CG2 4.39Å; T25-I38 WeakPolarHBondContact O-CA 3.26Å; K26-I38 HydrophobicContact CG-CD1 4.44Å; K26-I38 HydrophobicContact CG-CG1 4.06Å; K26-I38 HydrophobicContact CG-CG2 4.06Å; P35-I38 HydrophobicContact CB-CG1 4.42Å; P35-I38 HydrophobicContact CG-CD1 4.03Å; P35-I38 HydrophobicContact CG-CG1 3.96Å
39I92.4Very high85.7Confident17 Ų1765.6 Ų65.69%0.08738%0.38CS..EExtended strand (participates in β ladder)trans-117.6147.7-175.860.8176000109.6Y24 T25 F37 F71Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.12Å; T25-I39 PolarHBondContact N-O 2.89Å; T25-I39 PolarHBondContact O-N 2.86Å; F37-I39 HydrophobicContact CB-CG2 4.37Å; I39-F71 HydrophobicContact CD1-CE2 3.79Å; I39-F71 HydrophobicContact CD1-CZ 3.77Å; I39-F71 HydrophobicContact CG1-CE2 4.43Å; I39-F71 HydrophobicContact CG1-CZ 4.25Å
40P90.7Very high84.8Confident66 Ų6673.1 Ų73.143%0.42942%0.415SS..EExtended strand (participates in β ladder)trans-60.4140.7169.426.8-33.2000109.4A23 E42A23-P40 WeakPolarHBondContact O-CA 3.42Å; P40-E42 HydrophobicContact CB-CG 4.39Å; P40-E42 PolarHBondContact O-N 3.46Å
41S89.6Confident84.2Confident0 Ų075.4 Ų75.40%043%0.43CS..SBendtrans-78.951.1179.6-65.60000111.2G21 A23 T25 V54G21-S41 VanDerWaalsContact O-CB 3.26Å; G21-S41 WeakPolarHBondContact O-CB 3.36Å; G21-S41 PolarHBondContact O-OG 2.8Å; A23-S41 PolarHBondContact O-N 3.47Å; T25-S41 PolarHBondContact N-OG 3.21Å; T25-S41 VanDerWaalsContact N-OG 3.14Å; T25-S41 PolarHBondContact OG1-OG 3.4Å; S41-V54 PolarHBondContact O-N 3.46Å
42E89.2Confident84.1Confident48 Ų4874 Ų7422%0.22441%0.409CS..EExtended strand (participates in β ladder)trans-132.8147.7-173.1-55.9-168166.500111P40 S51 I52 K53P40-E42 HydrophobicContact CB-CG 4.39Å; P40-E42 PolarHBondContact O-N 3.46Å; E42-S51 WeakPolarHBondContact OE2-CB 3.36Å; E42-S51 PolarHBondContact OE2-OG 3.39Å; E42-I52 CarbonylContact C-O 3.54Å; E42-I52 VanDerWaalsContact CA-O 3.32Å; E42-I52 WeakPolarHBondContact CA-O 3.36Å; E42-K53 HydrophobicContact CG-CG 4.2Å; E42-K53 WeakPolarHBondContact OE1-CE 3.3Å
43I86.6Confident83.9Confident8 Ų874.2 Ų74.24%0.04141%0.409CS..EExtended strand (participates in β ladder)trans-118.2139.6173.853.7170000109.9I52 V54 N67 F71I43-I52 HydrophobicContact CG1-CB 4.03Å; I43-I52 WeakPolarHBondContact CG1-O 3.4Å; I43-I52 PolarHBondContact N-O 2.81Å; I43-I52 PolarHBondContact O-N 3.2Å; I43-V54 HydrophobicContact CB-CG2 4.37Å; I43-V54 HydrophobicContact CG1-CG2 4.2Å; I43-V54 HydrophobicContact CG2-CG2 3.64Å; I43-N67 HydrophobicContact CD1-CB 3.76Å; I43-F71 HydrophobicContact CG2-CB 3.81Å; I43-F71 HydrophobicContact CG2-CD2 3.96Å; I43-F71 HydrophobicContact CG2-CG 4.38Å
44Q82.7Confident83.7Confident153 Ų15368 Ų6872%0.71537%0.371SS*.  trans-105.8105.4173.8-170.2177.428.500108.6
45K77.8Confident83.3Confident47 Ų4767.4 Ų67.420%0.20436%0.362CS..  trans-78.3138.5177.1-71.9-173.7-178.91730110.5G47 Q48 I52 N67K45-G47 PolarHBondContact O-N 2.97Å; K45-G47 VanDerWaalsContact O-N 3.1Å; K45-Q48 PolarHBondContact O-N 3.41Å; K45-Q48 VanDerWaalsContact O-N 3.11Å; K45-I52 HydrophobicContact CD-CD1 4Å; K45-I52 HydrophobicContact CG-CD1 4.46Å; K45-N67 VanDerWaalsContact CE-OD1 3.32Å; K45-N67 WeakPolarHBondContact CE-OD1 3.4Å; K45-N67 PolarHBondContact NZ-OD1 3.41Å
46P74.4Confident82.8Confident128 Ų12869.4 Ų69.483%0.83137%0.369SS*.THydrogen-bonded Turntrans-60.9117.5175.824.2-31.8000109.9
47G71.8Confident82.2Confident88 Ų8870.6 Ų70.691%0.90737%0.374SS*.THydrogen-bonded Turntrans101.8-4.8-179.400000115.6K45K45-G47 PolarHBondContact O-N 2.97Å; K45-G47 VanDerWaalsContact O-N 3.1Å
48Q76.1Confident81.5Confident99 Ų9975 Ų7546%0.46340%0.402SS..  trans-105.7134.6169.3-82.4175.8-37.300111.1K45K45-Q48 PolarHBondContact O-N 3.41Å; K45-Q48 VanDerWaalsContact O-N 3.11Å
49Q66.1Low81.1Confident198 Ų19872.7 Ų72.793%0.92539%0.389SS*.SBendtrans-82.5-18.8-177.8-156.2169.44.500112.6
50Q72Confident81Confident161 Ų16176.3 Ų76.375%0.75241%0.409SS*.SBendtrans-107.4139.4176.7-71.5-179-3.900110.8
51S79.6Confident80.8Confident55 Ų5576.5 Ų76.539%0.38541%0.409SS..PPolyproline II helixtrans-69.2141.8171.454.60000110.4E42E42-S51 WeakPolarHBondContact OE2-CB 3.36Å; E42-S51 PolarHBondContact OE2-OG 3.39Å
52I83.6Confident80.8Confident29 Ų2983.5 Ų83.515%0.14944%0.442CS..EExtended strand (participates in β ladder)trans-102.1125.4177-61.6170.1000108.3E42 I43 K45 V54E42-I52 CarbonylContact C-O 3.54Å; E42-I52 VanDerWaalsContact CA-O 3.32Å; E42-I52 WeakPolarHBondContact CA-O 3.36Å; I43-I52 HydrophobicContact CG1-CB 4.03Å; I43-I52 WeakPolarHBondContact CG1-O 3.4Å; I43-I52 PolarHBondContact N-O 2.81Å; I43-I52 PolarHBondContact O-N 3.2Å; K45-I52 HydrophobicContact CD-CD1 4Å; K45-I52 HydrophobicContact CG-CD1 4.46Å; I52-V54 PolarHBondContact O-N 3.49Å
53K85.5Confident80.7Confident50 Ų5085.5 Ų85.522%0.21745%0.451CS..EExtended strand (participates in β ladder)trans-64.1131.6171.7-64.1-172.1178.9-175.60110.6E42 Q56 Y143 E204E42-K53 HydrophobicContact CG-CG 4.2Å; E42-K53 WeakPolarHBondContact OE1-CE 3.3Å; K53-Q56 WeakPolarHBondContact O-CG 3.43Å; K53-Q56 PolarHBondContact O-NE2 3.48Å; K53-Y143 PolarHBondContact NZ-OH 2.9Å; K53-Y143 VanDerWaalsContact NZ-OH 3.11Å; K53-E204 WeakPolarHBondContact CE-OE2 3.37Å; K53-E204 IonicContact NZ-OE1 2.98Å; K53-E204 PolarHBondContact NZ-OE1 2.91Å; K53-E204 IonicContact NZ-OE2 3.43Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å
54V82.8Confident80.8Confident1 Ų185.2 Ų85.21%0.00645%0.45CS..SBendtrans-78.1-39.7-175.41770000111.6S41 I43 I52 Q56 L68 F71S41-V54 PolarHBondContact O-N 3.46Å; I43-V54 HydrophobicContact CB-CG2 4.37Å; I43-V54 HydrophobicContact CG1-CG2 4.2Å; I43-V54 HydrophobicContact CG2-CG2 3.64Å; I52-V54 PolarHBondContact O-N 3.49Å; V54-Q56 PolarHBondContact O-N 3.06Å; V54-L68 HydrophobicContact CG1-CD2 3.76Å; V54-F71 HydrophobicContact CB-CG 4.35Å; V54-F71 HydrophobicContact CG1-CB 3.92Å; V54-F71 HydrophobicContact CG1-CD1 3.94Å; V54-F71 HydrophobicContact CG1-CG 3.89Å; V54-F71 HydrophobicContact CG2-CB 3.91Å; V54-F71 HydrophobicContact CG2-CD1 4.48Å; V54-F71 HydrophobicContact CG2-CD2 3.65Å; V54-F71 HydrophobicContact CG2-CE2 4.26Å; V54-F71 HydrophobicContact CG2-CG 3.76Å
55V80.3Confident81.2Confident15 Ų1581.1 Ų81.19%0.09143%0.428CS..  trans-87.889.7-178.9-175.10000108.5G21 Y57 F101G21-V55 WeakPolarHBondContact O-CG2 3.4Å; V55-Y57 HydrophobicContact CG1-CE1 3.89Å; V55-Y57 HydrophobicContact CG1-CE2 4.3Å; V55-Y57 VanDerWaalsContact CG1-OH 3.26Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.41Å; V55-F101 HydrophobicContact CG1-CE2 4.46Å; V55-F101 HydrophobicContact CG1-CZ 4.41Å; V55-F101 HydrophobicContact CG2-CZ 4.33Å
56Q81.4Confident81.9Confident68 Ų6881.7 Ų81.732%0.31844%0.438SS..  trans-120.5139.5175.2-65.9-178.15.100110.3K53 V54K53-Q56 WeakPolarHBondContact O-CG 3.43Å; K53-Q56 PolarHBondContact O-NE2 3.48Å; V54-Q56 PolarHBondContact O-N 3.06Å
57Y77.9Confident82.7Confident97 Ų9775.7 Ų75.738%0.3840%0.399SS..SBendtrans-109.3132.8177.4-48.5-59.1000107.7V55 P98 F101V55-Y57 HydrophobicContact CG1-CE1 3.89Å; V55-Y57 HydrophobicContact CG1-CE2 4.3Å; V55-Y57 VanDerWaalsContact CG1-OH 3.26Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.41Å; Y57-P98 HydrophobicContact CD1-CG 3.72Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 4.17Å; Y57-F101 HydrophobicContact CE1-CG 4.48Å
58N78.5Confident83.6Confident168 Ų16871.5 Ų71.590%0.89836%0.356SS*.SBendtrans80.438.5-176.7-44-36.6000116.6
59I84.3Confident84.4Confident30 Ų3070.6 Ų70.615%0.15435%0.35CS..  trans-104.8164.8171.6-170.3169.9000110.9E63 L64I59-E63 HydrophobicContact CD1-CB 4.09Å; I59-E63 VanDerWaalsContact CD1-CD 3.43Å; I59-E63 HydrophobicContact CD1-CG 3.66Å; I59-E63 HydrophobicContact CG1-CB 4.16Å; I59-E63 HydrophobicContact CG1-CG 4.22Å; I59-L64 HydrophobicContact CG2-CB 3.68Å; I59-L64 HydrophobicContact CG2-CD1 4Å; I59-L64 HydrophobicContact CG2-CD2 4.24Å; I59-L64 HydrophobicContact CG2-CG 4.17Å
60N89.6Confident85.7Confident93 Ų9364 Ų6450%0.49732%0.32SS..  trans-61.1142.8171.3-171.919.1000111.5E62 E63 L64N60-E62 VanDerWaalsContact C-N 3.34Å; N60-E62 PolarHBondContact O-N 3.35Å; N60-E63 HydrophobicContact CB-CB 4.38Å; N60-E63 PolarHBondContact O-N 3.36Å; N60-L64 PolarHBondContact O-N 3.23Å
61T87.3Confident86.6Confident71 Ų7156.6 Ų56.644%0.43629%0.285SS..Hα-helixtrans-61.8-38.8-173.970.90000113Y65 H100T61-Y65 VanDerWaalsContact O-CB 3.28Å; T61-Y65 WeakPolarHBondContact O-CB 3.48Å; T61-Y65 PolarHBondContact O-N 3.48Å; T61-H100 WeakPolarHBondContact CG2-CE1 3.37Å
62E88.9Confident87.3Confident146 Ų14654.2 Ų54.268%0.68227%0.268SS*.Hα-helixtrans-71.8-38.4-179.8-63.4-177.8171.400112N60 Y65 S66N60-E62 VanDerWaalsContact C-N 3.34Å; N60-E62 PolarHBondContact O-N 3.35Å; E62-Y65 PolarHBondContact O-N 3.5Å; E62-S66 WeakPolarHBondContact O-CB 3.03Å; E62-S66 PolarHBondContact O-N 3.32Å
63E88.2Confident87.7Confident91 Ų9157.4 Ų57.443%0.42528%0.282SS..Hα-helixtrans-68.9-44.8177.7-172175.8-177.300110.7I59 N60 Y65 S66 N67I59-E63 HydrophobicContact CD1-CB 4.09Å; I59-E63 VanDerWaalsContact CD1-CD 3.43Å; I59-E63 HydrophobicContact CD1-CG 3.66Å; I59-E63 HydrophobicContact CG1-CB 4.16Å; I59-E63 HydrophobicContact CG1-CG 4.22Å; N60-E63 HydrophobicContact CB-CB 4.38Å; N60-E63 PolarHBondContact O-N 3.36Å; E63-Y65 VanDerWaalsContact C-N 3.3Å; E63-Y65 PolarHBondContact O-N 3.43Å; E63-S66 PolarHBondContact O-N 3.29Å; E63-N67 WeakPolarHBondContact O-CB 3.05Å; E63-N67 PolarHBondContact O-N 3.41Å; E63-N67 PolarHBondContact O-ND2 3.35Å; E63-N67 PolarHBondContact O-OD1 2.96Å
64L88.4Confident88Confident2 Ų257.4 Ų57.41%0.0129%0.286CS..Hα-helixtrans-58.5-43.7173-173.658.2000111.6I59 N60 S66 N67 L68 F101 T104I59-L64 HydrophobicContact CG2-CB 3.68Å; I59-L64 HydrophobicContact CG2-CD1 4Å; I59-L64 HydrophobicContact CG2-CD2 4.24Å; I59-L64 HydrophobicContact CG2-CG 4.17Å; N60-L64 PolarHBondContact O-N 3.23Å; L64-S66 VanDerWaalsContact C-N 3.35Å; L64-S66 PolarHBondContact O-N 3.29Å; L64-N67 PolarHBondContact O-N 3.38Å; L64-L68 HydrophobicContact CD1-CD1 4.06Å; L64-L68 HydrophobicContact CD1-CG 4.18Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 4.41Å; L64-L68 WeakPolarHBondContact O-CB 3.18Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.23Å; L64-F101 HydrophobicContact CD1-CD2 4.09Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.07Å; L64-T104 HydrophobicContact CB-CG2 4.19Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.91Å
65Y91.3Very high88.4Confident66 Ų6657.4 Ų57.426%0.25929%0.286SS..Hα-helixtrans-60.6-44.5177.6-177.3-90.2000111.8T61 E62 E63 K69 T104 K107 V108T61-Y65 VanDerWaalsContact O-CB 3.28Å; T61-Y65 WeakPolarHBondContact O-CB 3.48Å; T61-Y65 PolarHBondContact O-N 3.48Å; E62-Y65 PolarHBondContact O-N 3.5Å; E63-Y65 VanDerWaalsContact C-N 3.3Å; E63-Y65 PolarHBondContact O-N 3.43Å; Y65-K69 VanDerWaalsContact O-CB 3.25Å; Y65-K69 WeakPolarHBondContact O-CB 3.47Å; Y65-K69 PolarHBondContact O-N 2.77Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; Y65-K107 HydrophobicContact CD2-CB 4.38Å; Y65-K107 HydrophobicContact CE2-CB 4.09Å; Y65-V108 HydrophobicContact CD2-CG2 3.38Å; Y65-V108 HydrophobicContact CE2-CB 4.25Å; Y65-V108 HydrophobicContact CE2-CG2 3.46Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.46Å; Y65-V108 HydrophobicContact CG-CG2 4.06Å
66S91.6Very high88.9Confident60 Ų6056.7 Ų56.742%0.4228%0.282SS..Hα-helixtrans-63.7-47.5177.3-167.20000111.8E62 E63 L64 L68 K69 E70E62-S66 WeakPolarHBondContact O-CB 3.03Å; E62-S66 PolarHBondContact O-N 3.32Å; E63-S66 PolarHBondContact O-N 3.29Å; L64-S66 VanDerWaalsContact C-N 3.35Å; L64-S66 PolarHBondContact O-N 3.29Å; S66-L68 PolarHBondContact O-N 3.33Å; S66-K69 WeakPolarHBondContact O-CB 3.22Å; S66-K69 PolarHBondContact O-N 2.62Å; S66-E70 PolarHBondContact O-N 3.16Å
67N91Very high89.4Confident1 Ų158.5 Ų58.51%0.00529%0.289CS..Hα-helixtrans-62.6-45.1179.9-65.5-10.9000111.6I43 K45 E63 L64 E70 F71I43-N67 HydrophobicContact CD1-CB 3.76Å; K45-N67 VanDerWaalsContact CE-OD1 3.32Å; K45-N67 WeakPolarHBondContact CE-OD1 3.4Å; K45-N67 PolarHBondContact NZ-OD1 3.41Å; E63-N67 WeakPolarHBondContact O-CB 3.05Å; E63-N67 PolarHBondContact O-N 3.41Å; E63-N67 PolarHBondContact O-ND2 3.35Å; E63-N67 PolarHBondContact O-OD1 2.96Å; L64-N67 PolarHBondContact O-N 3.38Å; N67-E70 PolarHBondContact O-N 3.49Å; N67-F71 WeakPolarHBondContact O-CB 3.44Å; N67-F71 PolarHBondContact O-N 2.81Å
68L91.8Very high89.9Confident1 Ų163 Ų631%0.00531%0.305CS..Hα-helixtrans-64.9-39176.3-75.2172.5000112V54 L64 S66 F71 I72 F101 T104 L105 V108V54-L68 HydrophobicContact CG1-CD2 3.76Å; L64-L68 HydrophobicContact CD1-CD1 4.06Å; L64-L68 HydrophobicContact CD1-CG 4.18Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 4.41Å; L64-L68 WeakPolarHBondContact O-CB 3.18Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.31Å; L64-L68 PolarHBondContact O-N 3.23Å; S66-L68 PolarHBondContact O-N 3.33Å; L68-F71 PolarHBondContact O-N 2.92Å; L68-I72 VanDerWaalsContact O-CB 3.31Å; L68-I72 WeakPolarHBondContact O-CB 3.47Å; L68-I72 WeakPolarHBondContact O-CD1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.01Å; L68-F101 HydrophobicContact CD1-CE2 4.31Å; L68-F101 HydrophobicContact CD2-CE2 4.08Å; L68-F101 HydrophobicContact CD2-CZ 4.02Å; L68-T104 HydrophobicContact CD1-CG2 4.09Å; L68-L105 HydrophobicContact CD1-CB 4.18Å; L68-V108 HydrophobicContact CB-CG2 4.02Å
69K93.1Very high90.3Very high79 Ų7956.7 Ų56.734%0.34327%0.27SS..Hα-helixtrans-61.4-47.8176.5170.3175.2172.2173.60111.5Y65 S66 H73 V108 Q112Y65-K69 VanDerWaalsContact O-CB 3.25Å; Y65-K69 WeakPolarHBondContact O-CB 3.47Å; Y65-K69 PolarHBondContact O-N 2.77Å; S66-K69 WeakPolarHBondContact O-CB 3.22Å; S66-K69 PolarHBondContact O-N 2.62Å; K69-H73 VanDerWaalsContact O-CB 3.22Å; K69-H73 WeakPolarHBondContact O-CB 3.48Å; K69-H73 PolarHBondContact O-N 2.98Å; K69-V108 HydrophobicContact CB-CG1 4.34Å; K69-Q112 HydrophobicContact CD-CG 3.88Å; K69-Q112 VanDerWaalsContact CE-OE1 3.3Å; K69-Q112 HydrophobicContact CG-CG 4.05Å; K69-Q112 VanDerWaalsContact NZ-CD 3.35Å
70E91.8Very high90.5Very high61 Ų6155.3 Ų55.329%0.28526%0.263SS..Hα-helixtrans-63.5-43.3178.7-174.1173.7-176.500111.6S66 N67 H73 T74S66-E70 PolarHBondContact O-N 3.16Å; N67-E70 PolarHBondContact O-N 3.49Å; E70-H73 PolarHBondContact O-N 2.94Å; E70-T74 PolarHBondContact O-N 3.27Å; E70-T74 PolarHBondContact O-OG1 3.14Å
71F92.6Very high90.5Very high5 Ų555.2 Ų55.22%0.02226%0.262CS..Hα-helixtrans-63.7-49.7177.6-176.2-111.4000112.4L20 T25 I39 I43 V54 N67 L68 H73 T74 L75L20-F71 HydrophobicContact CD2-CD1 4.49Å; L20-F71 HydrophobicContact CD2-CE1 3.8Å; T25-F71 HydrophobicContact CG2-CE1 3.97Å; T25-F71 HydrophobicContact CG2-CZ 3.91Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.23Å; I39-F71 HydrophobicContact CD1-CE2 3.79Å; I39-F71 HydrophobicContact CD1-CZ 3.77Å; I39-F71 HydrophobicContact CG1-CE2 4.43Å; I39-F71 HydrophobicContact CG1-CZ 4.25Å; I43-F71 HydrophobicContact CG2-CB 3.81Å; I43-F71 HydrophobicContact CG2-CD2 3.96Å; I43-F71 HydrophobicContact CG2-CG 4.38Å; V54-F71 HydrophobicContact CB-CG 4.35Å; V54-F71 HydrophobicContact CG1-CB 3.92Å; V54-F71 HydrophobicContact CG1-CD1 3.94Å; V54-F71 HydrophobicContact CG1-CG 3.89Å; V54-F71 HydrophobicContact CG2-CB 3.91Å; V54-F71 HydrophobicContact CG2-CD1 4.48Å; V54-F71 HydrophobicContact CG2-CD2 3.65Å; V54-F71 HydrophobicContact CG2-CE2 4.26Å; V54-F71 HydrophobicContact CG2-CG 3.76Å; N67-F71 WeakPolarHBondContact O-CB 3.44Å; N67-F71 PolarHBondContact O-N 2.81Å; L68-F71 PolarHBondContact O-N 2.92Å; F71-H73 VanDerWaalsContact C-N 3.31Å; F71-H73 PolarHBondContact O-N 3.1Å; F71-T74 WeakPolarHBondContact O-CB 3.37Å; F71-T74 PolarHBondContact O-N 3.15Å; F71-L75 HydrophobicContact CE1-CD1 4.2Å; F71-L75 WeakPolarHBondContact O-CB 3.16Å; F71-L75 PolarHBondContact O-N 2.92Å
72I93.1Very high90.5Very high5 Ų552.6 Ų52.63%0.02625%0.246CC..Hα-helixtrans-65.5-36.9179.6-67.1166.7000110.6L68 T74 L75 Y76 V108 F109 F113L68-I72 VanDerWaalsContact O-CB 3.31Å; L68-I72 WeakPolarHBondContact O-CB 3.47Å; L68-I72 WeakPolarHBondContact O-CD1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.01Å; I72-T74 VanDerWaalsContact C-N 3.34Å; I72-T74 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 3.24Å; I72-Y76 HydrophobicContact CG2-CD2 3.64Å; I72-Y76 HydrophobicContact CG2-CE2 3.81Å; I72-Y76 WeakPolarHBondContact O-CD2 3.48Å; I72-Y76 PolarHBondContact O-N 2.93Å; I72-V108 HydrophobicContact CD1-CB 4.36Å; I72-V108 HydrophobicContact CD1-CG1 3.69Å; I72-F109 HydrophobicContact CD1-CD2 4.17Å; I72-F109 HydrophobicContact CD1-CE1 4.32Å; I72-F109 HydrophobicContact CD1-CE2 3.56Å; I72-F109 HydrophobicContact CD1-CZ 3.66Å; I72-F109 HydrophobicContact CG1-CE2 4.48Å; I72-F109 HydrophobicContact CG1-CZ 4.15Å; I72-F109 HydrophobicContact CG2-CE1 4.04Å; I72-F109 HydrophobicContact CG2-CZ 4.21Å; I72-F113 HydrophobicContact CB-CE2 3.74Å; I72-F113 HydrophobicContact CB-CZ 3.98Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.28Å; I72-F113 HydrophobicContact CG2-CE2 3.39Å; I72-F113 HydrophobicContact CG2-CG 4.43Å; I72-F113 HydrophobicContact CG2-CZ 3.64Å
73H92.6Very high90.6Very high96 Ų9649.2 Ų49.244%0.44423%0.233SC..Hα-helixtrans-59.2-47.3173.8-177-83.3000110.9K69 E70 F71 L75 Y76 F77 F113K69-H73 VanDerWaalsContact O-CB 3.22Å; K69-H73 WeakPolarHBondContact O-CB 3.48Å; K69-H73 PolarHBondContact O-N 2.98Å; E70-H73 PolarHBondContact O-N 2.94Å; F71-H73 VanDerWaalsContact C-N 3.31Å; F71-H73 PolarHBondContact O-N 3.1Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-L75 PolarHBondContact O-N 3.35Å; H73-Y76 PolarHBondContact O-N 3.4Å; H73-F77 AromaticContact CD2-CD2 3.36Å; H73-F77 WeakPolarHBondContact CD2-CD2 3.5Å; H73-F77 AromaticContact CD2-CE2 3.43Å; H73-F77 VanDerWaalsContact CD2-CE2 3.43Å; H73-F77 WeakPolarHBondContact CD2-CE2 3.31Å; H73-F77 AromaticContact CE1-CD2 3.69Å; H73-F77 AromaticContact CG-CD2 3.71Å; H73-F77 AromaticContact ND1-CD2 3.9Å; H73-F77 AromaticContact NE2-CD2 3.36Å; H73-F77 WeakPolarHBondContact NE2-CD2 3.22Å; H73-F77 AromaticContact NE2-CE2 3.57Å; H73-F77 WeakPolarHBondContact O-CB 3.44Å; H73-F77 VanDerWaalsContact O-CD2 3.3Å; H73-F77 WeakPolarHBondContact O-CD2 3.28Å; H73-F77 PolarHBondContact O-N 2.94Å; H73-F113 HydrophobicContact CB-CE1 4.45Å; H73-F113 HydrophobicContact CB-CZ 4.1Å
74T91.3Very high90.6Very high49 Ų4945 Ų4530%0.30121%0.213SC..Hα-helixtrans-61.3-43.4175.5-56.50000111.4E70 F71 I72 Y76 R78 H79E70-T74 PolarHBondContact O-N 3.27Å; E70-T74 PolarHBondContact O-OG1 3.14Å; F71-T74 WeakPolarHBondContact O-CB 3.37Å; F71-T74 PolarHBondContact O-N 3.15Å; I72-T74 VanDerWaalsContact C-N 3.34Å; I72-T74 PolarHBondContact O-N 3Å; T74-Y76 PolarHBondContact O-N 2.97Å; T74-R78 HydrophobicContact CG2-CB 4.06Å; T74-R78 WeakPolarHBondContact O-CA 3.47Å; T74-R78 WeakPolarHBondContact O-CB 3.47Å; T74-R78 PolarHBondContact O-N 3.45Å; T74-H79 PolarHBondContact O-N 3.46Å
75L91.9Very high90.6Very high1 Ų151.1 Ų51.11%0.00524%0.236CC..Iπ-helixtrans-58.6-48.3178.6-168.9152.7000112.2I18 T25 C27 F71 I72 H73 H79 L80I18-L75 HydrophobicContact CD1-CD2 4.05Å; I18-L75 HydrophobicContact CG1-CD2 4.45Å; I18-L75 HydrophobicContact CG2-CD1 4.08Å; T25-L75 HydrophobicContact CG2-CD1 3.92Å; C27-L75 HydrophobicContact CB-CD1 4.12Å; C27-L75 HydrophobicContact CB-CD2 4.09Å; C27-L75 HydrophobicContact CB-CG 4.19Å; F71-L75 HydrophobicContact CE1-CD1 4.2Å; F71-L75 WeakPolarHBondContact O-CB 3.16Å; F71-L75 PolarHBondContact O-N 2.92Å; I72-L75 PolarHBondContact O-N 3.24Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-L75 PolarHBondContact O-N 3.35Å; L75-H79 WeakPolarHBondContact O-CB 3.28Å; L75-H79 PolarHBondContact O-N 3.26Å; L75-L80 HydrophobicContact CD2-CD1 3.44Å; L75-L80 VanDerWaalsContact CD2-CD1 3.44Å; L75-L80 HydrophobicContact CD2-CG 3.99Å; L75-L80 PolarHBondContact O-N 3.02Å
76Y91.2Very high90.5Very high0 Ų051.9 Ų51.90%025%0.245CC..Iπ-helixtrans-75.3-47.2-179.4-85.2-88000113.5V16 I18 I72 H73 T74 L80 L81 V82 P84 V89 F109V16-Y76 HydrophobicContact CG1-CE1 4.44Å; V16-Y76 HydrophobicContact CG2-CE1 4.12Å; I18-Y76 HydrophobicContact CD1-CE2 4.23Å; I72-Y76 HydrophobicContact CG2-CD2 3.64Å; I72-Y76 HydrophobicContact CG2-CE2 3.81Å; I72-Y76 WeakPolarHBondContact O-CD2 3.48Å; I72-Y76 PolarHBondContact O-N 2.93Å; H73-Y76 PolarHBondContact O-N 3.4Å; T74-Y76 PolarHBondContact O-N 2.97Å; Y76-L80 HydrophobicContact CD1-CD1 4.19Å; Y76-L80 HydrophobicContact CE1-CD1 4.14Å; Y76-L81 WeakPolarHBondContact O-CA 3.14Å; Y76-L81 PolarHBondContact O-N 3.49Å; Y76-V82 HydrophobicContact CD1-CG2 4.07Å; Y76-V82 HydrophobicContact CE1-CG2 4.32Å; Y76-P84 HydrophobicContact CD1-CB 3.8Å; Y76-P84 HydrophobicContact CD1-CG 4.22Å; Y76-P84 HydrophobicContact CD2-CB 4.46Å; Y76-P84 HydrophobicContact CE1-CB 3.66Å; Y76-P84 HydrophobicContact CE2-CB 4.35Å; Y76-P84 HydrophobicContact CG-CB 4.2Å; Y76-P84 HydrophobicContact CG-CG 4.36Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.46Å; Y76-F109 AromaticContact CE2-CE1 3.99Å; Y76-F109 HydrophobicContact CE2-CE1 3.99Å
77F90.2Very high90.2Very high106 Ų10649.8 Ų49.847%0.46523%0.228SC..Iπ-helixtrans-87.5-26.8-170.4-69.1-75.2000113.9H73 L81 F113H73-F77 AromaticContact CD2-CD2 3.36Å; H73-F77 WeakPolarHBondContact CD2-CD2 3.5Å; H73-F77 AromaticContact CD2-CE2 3.43Å; H73-F77 VanDerWaalsContact CD2-CE2 3.43Å; H73-F77 WeakPolarHBondContact CD2-CE2 3.31Å; H73-F77 AromaticContact CE1-CD2 3.69Å; H73-F77 AromaticContact CG-CD2 3.71Å; H73-F77 AromaticContact ND1-CD2 3.9Å; H73-F77 AromaticContact NE2-CD2 3.36Å; H73-F77 WeakPolarHBondContact NE2-CD2 3.22Å; H73-F77 AromaticContact NE2-CE2 3.57Å; H73-F77 WeakPolarHBondContact O-CB 3.44Å; H73-F77 VanDerWaalsContact O-CD2 3.3Å; H73-F77 WeakPolarHBondContact O-CD2 3.28Å; H73-F77 PolarHBondContact O-N 2.94Å; F77-L81 WeakPolarHBondContact O-CD2 3.43Å; F77-F113 HydrophobicContact CE2-CE1 4.41Å
78R88.7Confident90.1Very high191 Ų19153.1 Ų53.172%0.72124%0.24SC*.Iπ-helixtrans-95.2-38.9178.3-165.2175.9-179159.9-2112.5T74T74-R78 HydrophobicContact CG2-CB 4.06Å; T74-R78 WeakPolarHBondContact O-CA 3.47Å; T74-R78 WeakPolarHBondContact O-CB 3.47Å; T74-R78 PolarHBondContact O-N 3.45Å
79H87.9Confident90.1Very high36 Ų3653.2 Ų53.217%0.16724%0.241CC..Iπ-helixtrans-101.1-61.6-173.8-60.9-76.1000112.7F37 T74 L75 L81F37-H79 HydrophobicContact CB-CB 4.41Å; F37-H79 AromaticContact CD1-ND1 3.91Å; F37-H79 HydrophobicContact CD2-CB 3.76Å; F37-H79 HydrophobicContact CE2-CB 4.17Å; F37-H79 WeakPolarHBondContact CE2-O 3.42Å; F37-H79 HydrophobicContact CG-CB 4.04Å; F37-H79 AromaticContact CG-ND1 3.95Å; T74-H79 PolarHBondContact O-N 3.46Å; L75-H79 WeakPolarHBondContact O-CB 3.28Å; L75-H79 PolarHBondContact O-N 3.26Å; H79-L81 PolarHBondContact O-N 3.05Å
80L88.1Confident90.1Very high1 Ų149.4 Ų49.41%0.00522%0.224CC..Iπ-helixtrans-74.9-25.5-173.4-62.1177.8000113.8V16 C27 F29 L75 Y76 V82V16-L80 HydrophobicContact CG1-CD1 3.43Å; V16-L80 VanDerWaalsContact CG1-CD1 3.43Å; V16-L80 HydrophobicContact CG2-CD1 4.36Å; C27-L80 HydrophobicContact CB-CD2 4.26Å; F29-L80 HydrophobicContact CE2-CD2 4.1Å; F29-L80 HydrophobicContact CZ-CB 4.41Å; F29-L80 HydrophobicContact CZ-CD2 4.35Å; L75-L80 HydrophobicContact CD2-CD1 3.44Å; L75-L80 VanDerWaalsContact CD2-CD1 3.44Å; L75-L80 HydrophobicContact CD2-CG 3.99Å; L75-L80 PolarHBondContact O-N 3.02Å; Y76-L80 HydrophobicContact CD1-CD1 4.19Å; Y76-L80 HydrophobicContact CE1-CD1 4.14Å; L80-V82 HydrophobicContact CB-CG2 3.84Å; L80-V82 PolarHBondContact O-N 3.32Å
81L89.3Confident90.2Very high91 Ų9146.7 Ų46.748%0.47621%0.211SC..  trans54.536.3179-60.8167.3000113.3F4 Y76 F77 H79F4-L81 HydrophobicContact CD2-CB 4.16Å; F4-L81 HydrophobicContact CD2-CD1 4.2Å; F4-L81 HydrophobicContact CE2-CB 4.18Å; F4-L81 HydrophobicContact CE2-CD1 3.39Å; F4-L81 HydrophobicContact CE2-CG 4.39Å; F4-L81 HydrophobicContact CZ-CD1 3.92Å; Y76-L81 WeakPolarHBondContact O-CA 3.14Å; Y76-L81 PolarHBondContact O-N 3.49Å; F77-L81 WeakPolarHBondContact O-CD2 3.43Å; H79-L81 PolarHBondContact O-N 3.05Å
82V88.5Confident90.2Very high17 Ų1746.4 Ų46.410%0.10321%0.21CC..SBendtrans-131.2153.4-180-65.70000111.5F29 Y76 L80 P84F29-V82 HydrophobicContact CE1-CG1 4.13Å; F29-V82 HydrophobicContact CE1-CG2 4.14Å; F29-V82 HydrophobicContact CZ-CG1 3.78Å; F29-V82 HydrophobicContact CZ-CG2 4.03Å; Y76-V82 HydrophobicContact CD1-CG2 4.07Å; Y76-V82 HydrophobicContact CE1-CG2 4.32Å; L80-V82 HydrophobicContact CB-CG2 3.84Å; L80-V82 PolarHBondContact O-N 3.32Å; V82-P84 WeakPolarHBondContact O-CD 3.35Å
83N89.8Confident90Very high74 Ų7446.9 Ų46.940%0.39621%0.212SC..  trans-76.1123.6174.6-170.5-8.8000110.3R85 D86N83-R85 VanDerWaalsContact C-N 3.25Å; N83-R85 PolarHBondContact O-N 2.89Å; N83-R85 PolarHBondContact OD1-N 3.24Å; N83-D86 PolarHBondContact O-N 3.48Å
84P88.8Confident89.7Confident3 Ų343.9 Ų43.92%0.01920%0.202CC..G310 helixtrans-63.3-24.9177.421.7-31.7000114.5Y76 V82 D86 F113 V115Y76-P84 HydrophobicContact CD1-CB 3.8Å; Y76-P84 HydrophobicContact CD1-CG 4.22Å; Y76-P84 HydrophobicContact CD2-CB 4.46Å; Y76-P84 HydrophobicContact CE1-CB 3.66Å; Y76-P84 HydrophobicContact CE2-CB 4.35Å; Y76-P84 HydrophobicContact CG-CB 4.2Å; Y76-P84 HydrophobicContact CG-CG 4.36Å; V82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-D86 PolarHBondContact O-N 3.19Å; P84-F113 HydrophobicContact CB-CB 4.11Å; P84-F113 HydrophobicContact CB-CD1 4.44Å; P84-F113 HydrophobicContact CG-CB 4.06Å; P84-F113 HydrophobicContact CG-CD1 3.72Å; P84-F113 HydrophobicContact CG-CG 4.3Å; P84-V115 HydrophobicContact CB-CG1 4.04Å
85R89.2Confident89.4Confident130 Ų13042.7 Ų42.749%0.49119%0.194SC..G310 helixtrans-67-21.8-179.3-68.4-177.8173.8-179.3-5.6114.2N83 F113 E114N83-R85 VanDerWaalsContact C-N 3.25Å; N83-R85 PolarHBondContact O-N 2.89Å; N83-R85 PolarHBondContact OD1-N 3.24Å; R85-F113 VanDerWaalsContact CG-O 3.26Å; R85-F113 WeakPolarHBondContact CG-O 3.33Å; R85-E114 HydrophobicContact CG-CB 4.19Å; R85-E114 IonicContact CZ-OE1 3.3Å; R85-E114 IonicContact CZ-OE2 3.73Å; R85-E114 VanDerWaalsContact CZ-OE2 3.3Å; R85-E114 IonicContact NE-OE2 3.22Å; R85-E114 PolarHBondContact NE-OE2 2.88Å; R85-E114 IonicContact NH2-OE1 3.17Å; R85-E114 PolarHBondContact NH2-OE1 3.44Å; R85-E114 IonicContact NH2-OE2 3.82Å; R85-E114 PolarHBondContact NH2-OE2 3.21Å
86D87.3Confident89.1Confident82 Ų8245.3 Ų45.344%0.43921%0.208SC..G310 helixtrans-91.8-12.9-170.5-76.7-7.9000113.6K13 N83 P84K13-D86 HydrophobicContact CD-CB 3.77Å; K13-D86 IonicContact NZ-OD1 3.75Å; K13-D86 IonicContact NZ-OD2 2.71Å; K13-D86 PolarHBondContact NZ-OD2 2.99Å; N83-D86 PolarHBondContact O-N 3.48Å; P84-D86 PolarHBondContact O-N 3.19Å
87R86.4Confident88.8Confident16 Ų1646 Ų466%0.0621%0.212CC..SBendtrans-135.7143.4-165.7-67.3175.2-175.8-89.6-0.6111.2K13 T14 V16 P116K13-R87 HydrophobicContact CB-CG 3.81Å; K13-R87 HydrophobicContact CD-CG 4.35Å; T14-R87 WeakPolarHBondContact O-CD 3.44Å; T14-R87 PolarHBondContact O-NH1 3.03Å; T14-R87 PolarHBondContact OG1-NH1 3.42Å; V16-R87 HydrophobicContact CG2-CB 4.26Å; R87-P116 VanDerWaalsContact O-CD 3.23Å; R87-P116 WeakPolarHBondContact O-CD 3.47Å; R87-P116 WeakPolarHBondContact O-CG 3.27Å
88R88.9Confident88.7Confident72 Ų7243.5 Ų43.527%0.27221%0.207SC..  trans-72152.7172-57.9179.3-168.4158.510.6109.9E12 A15 V16 P116E12-R88 IonicContact OE1-NH2 3.42Å; A15-R88 WeakPolarHBondContact CA-O 3.19Å; A15-R88 HydrophobicContact CB-CB 4.39Å; V16-R88 PolarHBondContact N-O 3.45Å; R88-P116 HydrophobicContact CG-CG 4.15Å
89V91.4Very high88.6Confident2 Ų236.8 Ų36.81%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-119.8126.7-178.5-171.40000110.1V16 I18 Y76 I91 F109 V115 S117 V118 L119V16-V89 WeakPolarHBondContact O-CA 3.46Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.29Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.46Å; V89-I91 HydrophobicContact CG1-CD1 4.26Å; V89-I91 HydrophobicContact CG1-CG1 3.8Å; V89-F109 HydrophobicContact CG1-CE1 4.08Å; V89-F109 HydrophobicContact CG1-CZ 4.31Å; V89-F109 HydrophobicContact CG2-CD1 4.42Å; V89-F109 HydrophobicContact CG2-CE1 4.34Å; V89-V115 HydrophobicContact CG2-CB 4.28Å; V89-V115 HydrophobicContact CG2-CG1 3.99Å; V89-S117 PolarHBondContact N-O 3.41Å; V89-V118 WeakPolarHBondContact O-CA 3.39Å; V89-L119 PolarHBondContact O-N 3.45Å
90L92.8Very high88.5Confident0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-102.8124.7168-179.470.9000108.6V16 V17 I18 L119 A121 G358 F361V16-L90 PolarHBondContact O-N 2.93Å; V17-L90 WeakPolarHBondContact CA-O 3.45Å; V17-L90 HydrophobicContact CG1-CD2 4.24Å; V17-L90 HydrophobicContact CG2-CB 4.31Å; V17-L90 HydrophobicContact CG2-CD2 4.19Å; I18-L90 PolarHBondContact N-O 3.02Å; L90-L119 HydrophobicContact CD1-CB 3.86Å; L90-L119 HydrophobicContact CD1-CD2 3.46Å; L90-L119 VanDerWaalsContact CD1-CD2 3.46Å; L90-L119 HydrophobicContact CD1-CG 3.65Å; L90-A121 HydrophobicContact CD1-CB 3.85Å; L90-G358 WeakPolarHBondContact CD2-O 3.49Å; L90-F361 HydrophobicContact CD1-CD1 4.4Å; L90-F361 HydrophobicContact CD2-CD1 4.49Å
91I93.4Very high88.6Confident3 Ų339 Ų392%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-114.5118.8-179.7-53.9-176.5000107.6I18 L20 V89 L105 F109 V118 L119 F120 A121I18-I91 CarbonylContact O-C 3.59Å; I18-I91 WeakPolarHBondContact O-CA 3.5Å; L20-I91 HydrophobicContact CD1-CG2 4.15Å; V89-I91 HydrophobicContact CG1-CD1 4.26Å; V89-I91 HydrophobicContact CG1-CG1 3.8Å; I91-L105 HydrophobicContact CD1-CD2 3.32Å; I91-L105 HydrophobicContact CD1-CG 4.44Å; I91-F109 HydrophobicContact CD1-CD2 3.79Å; I91-F109 HydrophobicContact CD1-CE2 3.41Å; I91-F109 VanDerWaalsContact CD1-CE2 3.41Å; I91-F109 HydrophobicContact CD1-CZ 3.99Å; I91-V118 HydrophobicContact CD1-CG1 3.8Å; I91-V118 HydrophobicContact CG1-CG1 4.3Å; I91-L119 PolarHBondContact N-O 3.06Å; I91-F120 HydrophobicContact CB-CD1 4.09Å; I91-F120 HydrophobicContact CB-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CZ 4.24Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.05Å; I91-F120 WeakPolarHBondContact O-CA 3.27Å; I91-A121 PolarHBondContact O-N 2.8Å
92I92.7Very high88.6Confident0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-89.4120.9174.2-58.8158.5000106.7V17 I18 D19 L20 A121 M126 A354 W355V17-I92 HydrophobicContact CG1-CD1 3.68Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; I18-I92 PolarHBondContact O-N 3.22Å; D19-I92 HydrophobicContact CB-CB 4.12Å; D19-I92 HydrophobicContact CB-CD1 4.04Å; L20-I92 PolarHBondContact N-O 3.03Å; I92-A121 WeakPolarHBondContact CA-O 3.49Å; I92-M126 HydrophobicContact CG1-CG 4.43Å; I92-A354 WeakPolarHBondContact CD1-O 3.44Å; I92-A354 HydrophobicContact CG2-CB 4.31Å; I92-W355 HydrophobicContact CD1-CB 4.42Å
93E89.4Confident88.6Confident14 Ų1436.2 Ų36.27%0.06518%0.182CC..EExtended strand (participates in β ladder)trans-126.3158.6177.765.6176.4-179.400110.8R102 F120 A121 P122 S123E93-R102 WeakPolarHBondContact OE1-CD 3.24Å; E93-R102 IonicContact OE1-NH1 2.89Å; E93-F120 HydrophobicContact CG-CB 4.47Å; E93-F120 HydrophobicContact CG-CD1 4.2Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.11Å; E93-A121 PolarHBondContact N-O 2.91Å; E93-P122 WeakPolarHBondContact O-CA 3.46Å; E93-S123 PolarHBondContact O-N 3.14Å
94S87.1Confident88.7Confident34 Ų3432.9 Ų32.924%0.23817%0.165CC..  trans-72.8145.6163.5-176.60000109.4L96 C97 L147S94-L96 PolarHBondContact O-N 3.32Å; S94-C97 WeakPolarHBondContact O-CB 3.36Å; S94-C97 PolarHBondContact O-N 3.22Å; S94-C97 VanDerWaalsContact O-N 3.11Å; S94-L147 WeakPolarHBondContact OG-CD2 3.42Å
95I85.4Confident88.8Confident23 Ų2332.9 Ų32.912%0.11816%0.164CC..THydrogen-bonded Turntrans-64.5-29.3-178.3-66.8145.7000111.8C97 P122 L149 L158I95-C97 PolarHBondContact O-N 2.79Å; I95-P122 HydrophobicContact CD1-CB 3.81Å; I95-P122 HydrophobicContact CG1-CB 3.4Å; I95-L149 HydrophobicContact CD1-CD1 4.33Å; I95-L149 HydrophobicContact CD1-CD2 3.1Å; I95-L149 HydrophobicContact CD1-CG 4.25Å; I95-L158 HydrophobicContact CG2-CD2 3.77Å
96L84.9Confident88.9Confident57 Ų5726.8 Ų26.830%0.29814%0.141SC..THydrogen-bonded Turntrans-85.86-179.8-55.3-178.4000112.8S94 L147 W161 A163S94-L96 PolarHBondContact O-N 3.32Å; L96-L147 HydrophobicContact CD1-CD1 3.68Å; L96-L147 HydrophobicContact CD1-CD2 3.98Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.42Å; L96-L147 HydrophobicContact CG-CD2 4.09Å; L96-W161 HydrophobicContact CD1-CD2 4.27Å; L96-W161 HydrophobicContact CD1-CE3 3.61Å; L96-W161 HydrophobicContact CD1-CH2 3.91Å; L96-W161 HydrophobicContact CD1-CZ3 3.4Å; L96-W161 VanDerWaalsContact CD1-CZ3 3.4Å; L96-W161 HydrophobicContact CD2-CD2 4.1Å; L96-W161 HydrophobicContact CD2-CE3 4.26Å; L96-W161 HydrophobicContact CD2-CH2 4.21Å; L96-W161 HydrophobicContact CD2-CZ2 4.04Å; L96-W161 HydrophobicContact CD2-CZ3 4.32Å; L96-A163 HydrophobicContact CD1-CB 4.29Å
97C85.1Confident89.1Confident15 Ų1527.1 Ų27.110%0.10114%0.139CC..SBendtrans-61.2129.9178.4-175.30000110.4S94 I95 S99 F101S94-C97 WeakPolarHBondContact O-CB 3.36Å; S94-C97 PolarHBondContact O-N 3.22Å; S94-C97 VanDerWaalsContact O-N 3.11Å; I95-C97 PolarHBondContact O-N 2.79Å; C97-S99 PolarHBondContact O-N 3.34Å; C97-F101 VanDerWaalsContact SG-CD1 3.54Å
98P87.3Confident89.4Confident53 Ų5326.3 Ų26.334%0.34414%0.136SC..  trans-56.9134.5-179.2-27.535.3000112.8Y57 H100 F101 R102Y57-P98 HydrophobicContact CD1-CG 3.72Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 4.17Å; P98-H100 PolarHBondContact O-N 3.24Å; P98-H100 VanDerWaalsContact O-N 3.1Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 3.36Å; P98-R102 PolarHBondContact O-N 3.08Å
99S86.1Confident89.6Confident49 Ų4923 Ų2334%0.34312%0.123SC..Hα-helixtrans-56.2-32.1178.5-39.30000112.1C97 F101 R102 E103 D386C97-S99 PolarHBondContact O-N 3.34Å; S99-F101 PolarHBondContact O-N 3.07Å; S99-R102 PolarHBondContact O-N 3.49Å; S99-E103 WeakPolarHBondContact O-CG 3.3Å; S99-E103 PolarHBondContact O-N 2.89Å; S99-D386 WeakPolarHBondContact CB-OD2 3.24Å; S99-D386 PolarHBondContact OG-OD2 2.9Å
100H87.8Confident89.7Confident72 Ų7223.1 Ų23.133%0.33312%0.124SC..Hα-helixtrans-59.3-43.1175.4-179.454.2000113T61 P98 T104T61-H100 WeakPolarHBondContact CG2-CE1 3.37Å; P98-H100 PolarHBondContact O-N 3.24Å; P98-H100 VanDerWaalsContact O-N 3.1Å; H100-T104 PolarHBondContact O-N 3.28Å; H100-T104 VanDerWaalsContact O-N 3.1Å; H100-T104 PolarHBondContact O-OG1 3.21Å
101F89.3Confident89.6Confident11 Ų1128.8 Ų28.85%0.04815%0.149CC..Hα-helixtrans-66.1-45.7177.2-178.8-94000110.2V55 Y57 L64 L68 C97 P98 S99 E103 T104 L105V55-F101 HydrophobicContact CG1-CE2 4.46Å; V55-F101 HydrophobicContact CG1-CZ 4.41Å; V55-F101 HydrophobicContact CG2-CZ 4.33Å; Y57-F101 HydrophobicContact CE1-CG 4.48Å; L64-F101 HydrophobicContact CD1-CD2 4.09Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.07Å; L68-F101 HydrophobicContact CD1-CE2 4.31Å; L68-F101 HydrophobicContact CD2-CE2 4.08Å; L68-F101 HydrophobicContact CD2-CZ 4.02Å; C97-F101 VanDerWaalsContact SG-CD1 3.54Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 3.36Å; S99-F101 PolarHBondContact O-N 3.07Å; F101-E103 PolarHBondContact O-N 2.99Å; F101-T104 PolarHBondContact O-N 3.43Å; F101-L105 HydrophobicContact CE1-CD1 3.94Å; F101-L105 HydrophobicContact CZ-CD1 4.36Å; F101-L105 VanDerWaalsContact O-CB 3.3Å; F101-L105 WeakPolarHBondContact O-CB 3.47Å; F101-L105 PolarHBondContact O-N 3.12Å
102R88.9Confident89.5Confident6 Ų632.2 Ų32.22%0.02316%0.164CC..Hα-helixtrans-61.1-43.3178.9-163.9-178.562.1-132.7-21.3112.7E93 P98 S99 T106 F120 D386E93-R102 WeakPolarHBondContact OE1-CD 3.24Å; E93-R102 IonicContact OE1-NH1 2.89Å; P98-R102 PolarHBondContact O-N 3.08Å; S99-R102 PolarHBondContact O-N 3.49Å; R102-T106 VanDerWaalsContact O-CB 3.31Å; R102-T106 WeakPolarHBondContact O-CB 3.46Å; R102-T106 PolarHBondContact O-N 3.46Å; R102-T106 PolarHBondContact O-OG1 2.94Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.25Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 3.95Å; R102-F120 HydrophobicContact CG-CG 4.19Å; R102-F120 HydrophobicContact CG-CZ 3.52Å; R102-D386 IonicContact CZ-OD1 3.37Å; R102-D386 IonicContact CZ-OD2 2.8Å; R102-D386 IonicContact NH1-OD1 3.15Å; R102-D386 PolarHBondContact NH1-OD1 3Å; R102-D386 IonicContact NH1-OD2 2.77Å; R102-D386 PolarHBondContact NH1-OD2 3.41Å; R102-D386 IonicContact NH2-OD1 2.78Å; R102-D386 PolarHBondContact NH2-OD1 2.7Å; R102-D386 IonicContact NH2-OD2 3.26Å; R102-D386 PolarHBondContact NH2-OD2 3.3Å
103E88.9Confident89.4Confident45 Ų4532.8 Ų32.821%0.2117%0.167CC..Hα-helixtrans-62.5-43.9175.7-76.1-174.5176.900112S99 F101 T106 K107 R383S99-E103 WeakPolarHBondContact O-CG 3.3Å; S99-E103 PolarHBondContact O-N 2.89Å; F101-E103 PolarHBondContact O-N 2.99Å; E103-T106 WeakPolarHBondContact O-CB 3.38Å; E103-T106 PolarHBondContact O-N 3.13Å; E103-K107 WeakPolarHBondContact O-CG 3.2Å; E103-K107 PolarHBondContact O-N 3.35Å; E103-R383 WeakPolarHBondContact OE1-CD 3.47Å; E103-R383 IonicContact OE1-CZ 2.76Å; E103-R383 IonicContact OE1-NE 3.03Å; E103-R383 PolarHBondContact OE1-NE 3.06Å; E103-R383 IonicContact OE1-NH1 2.68Å
104T90.9Very high89.6Confident4 Ų435.5 Ų35.53%0.02518%0.179CC..Hα-helixtrans-65.8-44.7179.9-54.60000111L64 Y65 L68 H100 F101 T106 K107 V108L64-T104 HydrophobicContact CB-CG2 4.19Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.91Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; L68-T104 HydrophobicContact CD1-CG2 4.09Å; H100-T104 PolarHBondContact O-N 3.28Å; H100-T104 VanDerWaalsContact O-N 3.1Å; H100-T104 PolarHBondContact O-OG1 3.21Å; F101-T104 PolarHBondContact O-N 3.43Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 3.06Å; T104-K107 WeakPolarHBondContact O-CB 3.25Å; T104-K107 PolarHBondContact O-N 2.8Å; T104-V108 WeakPolarHBondContact O-CG2 3.47Å; T104-V108 PolarHBondContact O-N 2.88Å
105L91.6Very high89.8Confident2 Ų233.9 Ų33.91%0.0117%0.168CC..Hα-helixtrans-59.2-43.8175.2-179.9149.4000111.5L20 L68 I91 F101 K107 V108 F109 F120L20-L105 HydrophobicContact CD1-CD1 3.19Å; L68-L105 HydrophobicContact CD1-CB 4.18Å; I91-L105 HydrophobicContact CD1-CD2 3.32Å; I91-L105 HydrophobicContact CD1-CG 4.44Å; F101-L105 HydrophobicContact CE1-CD1 3.94Å; F101-L105 HydrophobicContact CZ-CD1 4.36Å; F101-L105 VanDerWaalsContact O-CB 3.3Å; F101-L105 WeakPolarHBondContact O-CB 3.47Å; F101-L105 PolarHBondContact O-N 3.12Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.42Å; L105-V108 WeakPolarHBondContact O-CB 3.2Å; L105-V108 PolarHBondContact O-N 2.88Å; L105-V108 VanDerWaalsContact O-N 3.14Å; L105-F109 HydrophobicContact CD1-CE2 4.32Å; L105-F109 HydrophobicContact CD2-CD2 3.51Å; L105-F109 HydrophobicContact CD2-CE2 3.6Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.8Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.86Å; L105-F120 HydrophobicContact CD2-CE1 3.68Å; L105-F120 HydrophobicContact CD2-CZ 3.51Å
106T91.2Very high90Very high2 Ų235 Ų351%0.01218%0.177CC..Hα-helixtrans-60.8-43.9176.6-61.30000111.8R102 E103 T104 V108 F109 F110 F120 Y378 I384R102-T106 VanDerWaalsContact O-CB 3.31Å; R102-T106 WeakPolarHBondContact O-CB 3.46Å; R102-T106 PolarHBondContact O-N 3.46Å; R102-T106 PolarHBondContact O-OG1 2.94Å; E103-T106 WeakPolarHBondContact O-CB 3.38Å; E103-T106 PolarHBondContact O-N 3.13Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 3.06Å; T106-V108 VanDerWaalsContact C-N 3.29Å; T106-V108 PolarHBondContact O-N 2.89Å; T106-F109 PolarHBondContact O-N 3.45Å; T106-F110 HydrophobicContact CG2-CD2 3.51Å; T106-F110 HydrophobicContact CG2-CE2 3.67Å; T106-F110 PolarHBondContact O-N 3.35Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.43Å; T106-Y378 HydrophobicContact CG2-CD2 3.77Å; T106-Y378 HydrophobicContact CG2-CE1 4.48Å; T106-Y378 HydrophobicContact CG2-CE2 3.43Å; T106-Y378 VanDerWaalsContact CG2-CE2 3.43Å; T106-Y378 HydrophobicContact CG2-CG 4.43Å; T106-I384 HydrophobicContact CG2-CD1 3.26Å; T106-I384 HydrophobicContact CG2-CG1 3.79Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.12Å
107K91.4Very high90.2Very high89 Ų8932.9 Ų32.939%0.38717%0.167SC..Hα-helixtrans-58-42.4174.7-72.9170.2-174.6172.90111.1Y65 E103 T104 L105 K111 Y378Y65-K107 HydrophobicContact CD2-CB 4.38Å; Y65-K107 HydrophobicContact CE2-CB 4.09Å; E103-K107 WeakPolarHBondContact O-CG 3.2Å; E103-K107 PolarHBondContact O-N 3.35Å; T104-K107 WeakPolarHBondContact O-CB 3.25Å; T104-K107 PolarHBondContact O-N 2.8Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.42Å; K107-K111 WeakPolarHBondContact O-CB 3.5Å; K107-K111 PolarHBondContact O-N 2.73Å; K107-Y378 WeakPolarHBondContact CG-OH 3.47Å
108V93.2Very high90.4Very high0 Ų032.2 Ų32.20%016%0.162CC..Iπ-helixtrans-62.3-50.6178176.30000110.5Y65 L68 K69 I72 T104 L105 T106 F110 Q112 F113Y65-V108 HydrophobicContact CD2-CG2 3.38Å; Y65-V108 HydrophobicContact CE2-CB 4.25Å; Y65-V108 HydrophobicContact CE2-CG2 3.46Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.46Å; Y65-V108 HydrophobicContact CG-CG2 4.06Å; L68-V108 HydrophobicContact CB-CG2 4.02Å; K69-V108 HydrophobicContact CB-CG1 4.34Å; I72-V108 HydrophobicContact CD1-CB 4.36Å; I72-V108 HydrophobicContact CD1-CG1 3.69Å; T104-V108 WeakPolarHBondContact O-CG2 3.47Å; T104-V108 PolarHBondContact O-N 2.88Å; L105-V108 WeakPolarHBondContact O-CB 3.2Å; L105-V108 PolarHBondContact O-N 2.88Å; L105-V108 VanDerWaalsContact O-N 3.14Å; T106-V108 VanDerWaalsContact C-N 3.29Å; T106-V108 PolarHBondContact O-N 2.89Å; V108-F110 PolarHBondContact O-N 3.09Å; V108-Q112 VanDerWaalsContact O-CB 3.28Å; V108-Q112 WeakPolarHBondContact O-CB 2.95Å; V108-Q112 PolarHBondContact O-N 3.3Å; V108-F113 HydrophobicContact CG1-CD2 3.83Å; V108-F113 HydrophobicContact CG1-CE2 3.59Å; V108-F113 PolarHBondContact O-N 2.96Å
109F93.3Very high90.6Very high1 Ų130.6 Ų30.60%0.00415%0.151CC..Iπ-helixtrans-62-46-179.1-83.7-70.9000113.5I18 I72 Y76 V89 I91 L105 T106 F113 E114 V115 V118I18-F109 HydrophobicContact CD1-CE1 4.25Å; I18-F109 HydrophobicContact CD1-CZ 3.83Å; I72-F109 HydrophobicContact CD1-CD2 4.17Å; I72-F109 HydrophobicContact CD1-CE1 4.32Å; I72-F109 HydrophobicContact CD1-CE2 3.56Å; I72-F109 HydrophobicContact CD1-CZ 3.66Å; I72-F109 HydrophobicContact CG1-CE2 4.48Å; I72-F109 HydrophobicContact CG1-CZ 4.15Å; I72-F109 HydrophobicContact CG2-CE1 4.04Å; I72-F109 HydrophobicContact CG2-CZ 4.21Å; Y76-F109 AromaticContact CE2-CE1 3.99Å; Y76-F109 HydrophobicContact CE2-CE1 3.99Å; V89-F109 HydrophobicContact CG1-CE1 4.08Å; V89-F109 HydrophobicContact CG1-CZ 4.31Å; V89-F109 HydrophobicContact CG2-CD1 4.42Å; V89-F109 HydrophobicContact CG2-CE1 4.34Å; I91-F109 HydrophobicContact CD1-CD2 3.79Å; I91-F109 HydrophobicContact CD1-CE2 3.41Å; I91-F109 VanDerWaalsContact CD1-CE2 3.41Å; I91-F109 HydrophobicContact CD1-CZ 3.99Å; L105-F109 HydrophobicContact CD1-CE2 4.32Å; L105-F109 HydrophobicContact CD2-CD2 3.51Å; L105-F109 HydrophobicContact CD2-CE2 3.6Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.8Å; L105-F109 VanDerWaalsContact O-CD2 3.3Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.86Å; T106-F109 PolarHBondContact O-N 3.45Å; F109-F113 CarbonylContact O-C 3.56Å; F109-E114 PolarHBondContact O-N 3.19Å; F109-V115 HydrophobicContact CB-CG2 3.83Å; F109-V115 HydrophobicContact CD1-CG1 3.9Å; F109-V115 HydrophobicContact CD1-CG2 4.38Å; F109-V115 PolarHBondContact O-N 3.29Å; F109-V118 HydrophobicContact CB-CG2 4Å; F109-V118 HydrophobicContact CG-CG2 4.46Å
110F93Very high90.7Very high5 Ų529 Ų292%0.02214%0.138CC..Iπ-helixtrans-81.7-39.2-177.4-72.8-51.9000114.4T106 V108 E114 V115 V118 R375 Y378 I384T106-F110 HydrophobicContact CG2-CD2 3.51Å; T106-F110 HydrophobicContact CG2-CE2 3.67Å; T106-F110 PolarHBondContact O-N 3.35Å; V108-F110 PolarHBondContact O-N 3.09Å; F110-E114 WeakPolarHBondContact O-CA 3.45Å; F110-V115 HydrophobicContact CD1-CG2 3.94Å; F110-V115 WeakPolarHBondContact CD1-O 3.41Å; F110-V115 HydrophobicContact CE1-CG2 4.03Å; F110-V118 HydrophobicContact CE1-CG2 3.99Å; F110-V118 HydrophobicContact CE2-CB 4.43Å; F110-V118 HydrophobicContact CE2-CG2 4.19Å; F110-V118 HydrophobicContact CZ-CB 4.02Å; F110-V118 HydrophobicContact CZ-CG2 3.76Å; F110-R375 HydrophobicContact CD1-CB 3.72Å; F110-R375 HydrophobicContact CD1-CG 3.77Å; F110-R375 VanDerWaalsContact CE1-CA 3.46Å; F110-R375 HydrophobicContact CE1-CB 3.78Å; F110-R375 HydrophobicContact CE1-CG 4.34Å; F110-R375 HydrophobicContact CG-CG 4.45Å; F110-Y378 HydrophobicContact CB-CD1 3.82Å; F110-Y378 HydrophobicContact CB-CE1 4.08Å; F110-Y378 AromaticContact CD2-CD1 3.38Å; F110-Y378 HydrophobicContact CD2-CD1 3.38Å; F110-Y378 AromaticContact CD2-CD2 3.97Å; F110-Y378 HydrophobicContact CD2-CD2 3.97Å; F110-Y378 AromaticContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE2 4.47Å; F110-Y378 AromaticContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CE2-CD1 4.15Å; F110-Y378 HydrophobicContact CE2-CD2 4.09Å; F110-Y378 AromaticContact CE2-CG 3.68Å; F110-Y378 HydrophobicContact CE2-CG 3.68Å; F110-Y378 AromaticContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CE1 4.44Å; F110-Y378 HydrophobicContact CG-CG 4.22Å; F110-I384 HydrophobicContact CE2-CD1 4.2Å
111K90.9Very high90.8Very high120 Ų12025.8 Ų25.852%0.52212%0.123SC..Iπ-helixtrans-87.4-37.4-175.1-60.7-61.5-172-171.50113.4K107 N379K107-K111 WeakPolarHBondContact O-CB 3.5Å; K107-K111 PolarHBondContact O-N 2.73Å; K111-N379 PolarHBondContact NZ-OD1 3.3Å
112Q92.1Very high90.9Very high74 Ų7425.5 Ų25.535%0.34612%0.123SC..Iπ-helixtrans-92.5-43.4-177.4-177.563.453.700112.5K69 V108K69-Q112 HydrophobicContact CD-CG 3.88Å; K69-Q112 VanDerWaalsContact CE-OE1 3.3Å; K69-Q112 HydrophobicContact CG-CG 4.05Å; K69-Q112 VanDerWaalsContact NZ-CD 3.35Å; V108-Q112 VanDerWaalsContact O-CB 3.28Å; V108-Q112 WeakPolarHBondContact O-CB 2.95Å; V108-Q112 PolarHBondContact O-N 3.3Å
113F90.8Very high91Very high13 Ų1325.5 Ų25.56%0.05712%0.124CC..SBendtrans-101.4-10.2-174.5-65.8-75.5000113.9I72 H73 F77 P84 R85 V108 F109 V115I72-F113 HydrophobicContact CB-CE2 3.74Å; I72-F113 HydrophobicContact CB-CZ 3.98Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.28Å; I72-F113 HydrophobicContact CG2-CE2 3.39Å; I72-F113 HydrophobicContact CG2-CG 4.43Å; I72-F113 HydrophobicContact CG2-CZ 3.64Å; H73-F113 HydrophobicContact CB-CE1 4.45Å; H73-F113 HydrophobicContact CB-CZ 4.1Å; F77-F113 HydrophobicContact CE2-CE1 4.41Å; P84-F113 HydrophobicContact CB-CB 4.11Å; P84-F113 HydrophobicContact CB-CD1 4.44Å; P84-F113 HydrophobicContact CG-CB 4.06Å; P84-F113 HydrophobicContact CG-CD1 3.72Å; P84-F113 HydrophobicContact CG-CG 4.3Å; R85-F113 VanDerWaalsContact CG-O 3.26Å; R85-F113 WeakPolarHBondContact CG-O 3.33Å; V108-F113 HydrophobicContact CG1-CD2 3.83Å; V108-F113 HydrophobicContact CG1-CE2 3.59Å; V108-F113 PolarHBondContact O-N 2.96Å; F109-F113 CarbonylContact O-C 3.56Å; F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 HydrophobicContact CB-CG1 4.18Å; F113-V115 PolarHBondContact O-N 2.92Å
114E92.2Very high91.2Very high70 Ų7023.4 Ų23.433%0.32711%0.114SC..  trans51.441.4176.9-65.9170.5-142.100113.8R85 F109 F110 R375R85-E114 HydrophobicContact CG-CB 4.19Å; R85-E114 IonicContact CZ-OE1 3.3Å; R85-E114 IonicContact CZ-OE2 3.73Å; R85-E114 VanDerWaalsContact CZ-OE2 3.3Å; R85-E114 IonicContact NE-OE2 3.22Å; R85-E114 PolarHBondContact NE-OE2 2.88Å; R85-E114 IonicContact NH2-OE1 3.17Å; R85-E114 PolarHBondContact NH2-OE1 3.44Å; R85-E114 IonicContact NH2-OE2 3.82Å; R85-E114 PolarHBondContact NH2-OE2 3.21Å; F109-E114 PolarHBondContact O-N 3.19Å; F110-E114 WeakPolarHBondContact O-CA 3.45Å; E114-R375 IonicContact OE2-NH1 3.7Å
115V91.8Very high91.2Very high0 Ų024.6 Ų24.60%012%0.12CC..  trans-64.2147.9179-57.40000111.7P84 V89 F109 F110 F113 V118P84-V115 HydrophobicContact CB-CG1 4.04Å; V89-V115 HydrophobicContact CG2-CB 4.28Å; V89-V115 HydrophobicContact CG2-CG1 3.99Å; F109-V115 HydrophobicContact CB-CG2 3.83Å; F109-V115 HydrophobicContact CD1-CG1 3.9Å; F109-V115 HydrophobicContact CD1-CG2 4.38Å; F109-V115 PolarHBondContact O-N 3.29Å; F110-V115 HydrophobicContact CD1-CG2 3.94Å; F110-V115 WeakPolarHBondContact CD1-O 3.41Å; F110-V115 HydrophobicContact CE1-CG2 4.03Å; F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 HydrophobicContact CB-CG1 4.18Å; F113-V115 PolarHBondContact O-N 2.92Å; V115-V118 HydrophobicContact CG2-CG2 3.48Å; V115-V118 VanDerWaalsContact CG2-CG2 3.48Å
116P89.6Confident91.2Very high46 Ų4624.6 Ų24.630%0.29912%0.12SC..SBendtrans-68.1-42.2-177.524.4-33.4000112.7R87 R88 R375R87-P116 VanDerWaalsContact O-CD 3.23Å; R87-P116 WeakPolarHBondContact O-CD 3.47Å; R87-P116 WeakPolarHBondContact O-CG 3.27Å; R88-P116 HydrophobicContact CG-CG 4.15Å; P116-R375 PolarHBondContact O-N 2.86Å; P116-R375 VanDerWaalsContact O-N 3.1Å
117S88.8Confident91.2Very high14 Ų1424.5 Ų24.510%0.09812%0.119CC..EExtended strand (participates in β ladder)trans-153.6145.9-177.8-41.60000111.1V89 S372 V373V89-S117 PolarHBondContact N-O 3.41Å; S117-S372 WeakPolarHBondContact CB-OG 3.4Å; S117-V373 CarbonylContact C-O 3.53Å; S117-V373 VanDerWaalsContact CA-O 3.24Å; S117-V373 WeakPolarHBondContact CA-O 3.42Å
118V90.4Very high91.2Very high0 Ų020.2 Ų20.20%010%0.101CC..EExtended strand (participates in β ladder)trans-123.8136.3175.4-179.20000108.6V89 I91 F109 F110 V115 F120 V373V89-V118 WeakPolarHBondContact O-CA 3.39Å; I91-V118 HydrophobicContact CD1-CG1 3.8Å; I91-V118 HydrophobicContact CG1-CG1 4.3Å; F109-V118 HydrophobicContact CB-CG2 4Å; F109-V118 HydrophobicContact CG-CG2 4.46Å; F110-V118 HydrophobicContact CE1-CG2 3.99Å; F110-V118 HydrophobicContact CE2-CB 4.43Å; F110-V118 HydrophobicContact CE2-CG2 4.19Å; F110-V118 HydrophobicContact CZ-CB 4.02Å; F110-V118 HydrophobicContact CZ-CG2 3.76Å; V115-V118 HydrophobicContact CG2-CG2 3.48Å; V115-V118 VanDerWaalsContact CG2-CG2 3.48Å; V118-F120 HydrophobicContact CG1-CD2 4.17Å; V118-F120 HydrophobicContact CG1-CE2 3.59Å; V118-F120 HydrophobicContact CG1-CZ 3.96Å; V118-V373 PolarHBondContact N-O 2.82Å; V118-V373 PolarHBondContact O-N 2.83Å
119L89.6Confident91Very high20 Ų2023 Ų2311%0.10511%0.114CC..EExtended strand (participates in β ladder)trans-126.3131.6170.8175.464.4000109.8V89 L90 I91 F361 L368V89-L119 PolarHBondContact O-N 3.45Å; L90-L119 HydrophobicContact CD1-CB 3.86Å; L90-L119 HydrophobicContact CD1-CD2 3.46Å; L90-L119 VanDerWaalsContact CD1-CD2 3.46Å; L90-L119 HydrophobicContact CD1-CG 3.65Å; I91-L119 PolarHBondContact N-O 3.06Å; L119-F361 HydrophobicContact CD2-CD1 4.17Å; L119-F361 HydrophobicContact CD2-CE1 3.53Å; L119-L368 HydrophobicContact CD2-CD2 3.82Å
120F90.1Very high90.8Very high16 Ų1623.5 Ų23.57%0.0712%0.118CC..EExtended strand (participates in β ladder)trans-96.9123170.4-68.4-85.2000109.4I91 E93 R102 L105 T106 V118 I384I91-F120 HydrophobicContact CB-CD1 4.09Å; I91-F120 HydrophobicContact CB-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CE1 4.12Å; I91-F120 HydrophobicContact CD1-CZ 4.24Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.05Å; I91-F120 WeakPolarHBondContact O-CA 3.27Å; E93-F120 HydrophobicContact CG-CB 4.47Å; E93-F120 HydrophobicContact CG-CD1 4.2Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.11Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.25Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 3.95Å; R102-F120 HydrophobicContact CG-CG 4.19Å; R102-F120 HydrophobicContact CG-CZ 3.52Å; L105-F120 HydrophobicContact CD2-CE1 3.68Å; L105-F120 HydrophobicContact CD2-CZ 3.51Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.43Å; V118-F120 HydrophobicContact CG1-CD2 4.17Å; V118-F120 HydrophobicContact CG1-CE2 3.59Å; V118-F120 HydrophobicContact CG1-CZ 3.96Å; F120-I384 HydrophobicContact CD2-CD1 4.2Å; F120-I384 HydrophobicContact CD2-CG2 4.14Å; F120-I384 HydrophobicContact CE2-CD1 3.59Å; F120-I384 HydrophobicContact CE2-CG2 4.33Å
121A89.3Confident90.6Very high3 Ų325.3 Ų25.33%0.02513%0.128CC..EExtended strand (participates in β ladder)trans-121.3134179.300000110.5L90 I91 I92 E93 M126L90-A121 HydrophobicContact CD1-CB 3.85Å; I91-A121 PolarHBondContact O-N 2.8Å; I92-A121 WeakPolarHBondContact CA-O 3.49Å; E93-A121 PolarHBondContact N-O 2.91Å; A121-M126 HydrophobicContact CB-CE 4Å; A121-M126 HydrophobicContact CB-CG 3.94Å; A121-M126 HydrophobicContact CB-SD 3.75Å
122P90.6Very high90.5Very high6 Ų622.7 Ų22.74%0.03914%0.135CC..EExtended strand (participates in β ladder)trans-75130.9-179.226.1-27.5000111.2E93 I95 H124 L125 M126 W387E93-P122 WeakPolarHBondContact O-CA 3.46Å; I95-P122 HydrophobicContact CD1-CB 3.81Å; I95-P122 HydrophobicContact CG1-CB 3.4Å; P122-H124 VanDerWaalsContact C-N 3.28Å; P122-H124 PolarHBondContact O-N 2.77Å; P122-L125 HydrophobicContact CG-CB 3.78Å; P122-L125 HydrophobicContact CG-CD2 4.12Å; P122-L125 PolarHBondContact O-N 3.03Å; P122-L125 VanDerWaalsContact O-N 3.15Å; P122-M126 WeakPolarHBondContact O-CG 3.26Å; P122-M126 PolarHBondContact O-N 3.32Å; P122-M126 VanDerWaalsContact O-N 3.13Å; P122-W387 HydrophobicContact CG-CH2 4.13Å; P122-W387 HydrophobicContact CG-CZ2 4.2Å
123S92.4Very high90.4Very high6 Ų620.7 Ų20.74%0.04213%0.126CC..Hα-helixtrans-49.1-43.5-178.3172.80000113.9E93 L125 M126 S127 A354E93-S123 PolarHBondContact O-N 3.14Å; S123-L125 PolarHBondContact O-N 3.45Å; S123-M126 PolarHBondContact O-N 3.4Å; S123-S127 WeakPolarHBondContact O-CB 2.93Å; S123-S127 PolarHBondContact O-N 3.04Å; S123-S127 PolarHBondContact O-OG 2.95Å; S123-A354 VanDerWaalsContact OG-CB 3.26Å; S123-A354 WeakPolarHBondContact OG-CB 3.41Å
124H92.1Very high90.4Very high0 Ų024.1 Ų24.10%015%0.145CC..Hα-helixtrans-66.3-41.6-176.5-59.671.2000111.9P122 S127 I128 V138 L147 L149P122-H124 VanDerWaalsContact C-N 3.28Å; P122-H124 PolarHBondContact O-N 2.77Å; H124-S127 PolarHBondContact O-N 3.21Å; H124-I128 PolarHBondContact O-N 2.89Å; H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.23Å; H124-V138 HydrophobicContact CB-CG2 4.46Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.33Å; H124-L149 HydrophobicContact CB-CB 4.16Å; H124-L149 HydrophobicContact CB-CD2 3.6Å; H124-L149 VanDerWaalsContact CD2-CB 3.44Å; H124-L149 WeakPolarHBondContact CD2-CB 3.1Å
125L90.6Very high90.4Very high30 Ų3021.2 Ų21.216%0.15713%0.133CC..Hα-helixtrans-67.4-43.6177-176.962.2000110.8P122 S123 S127 I128 M129 V151 C154P122-L125 HydrophobicContact CG-CB 3.78Å; P122-L125 HydrophobicContact CG-CD2 4.12Å; P122-L125 PolarHBondContact O-N 3.03Å; P122-L125 VanDerWaalsContact O-N 3.15Å; S123-L125 PolarHBondContact O-N 3.45Å; L125-S127 VanDerWaalsContact C-N 3.25Å; L125-S127 PolarHBondContact O-N 2.98Å; L125-I128 PolarHBondContact O-N 2.77Å; L125-M129 WeakPolarHBondContact O-CG 3.39Å; L125-M129 PolarHBondContact O-N 2.88Å; L125-V151 HydrophobicContact CD1-CG1 4.1Å; L125-C154 HydrophobicContact CD1-CB 4.33Å; L125-C154 WeakPolarHBondContact CD1-O 3.32Å
126M91.6Very high90.5Very high1 Ų121.2 Ų21.21%0.00513%0.133CC..Hα-helixtrans-59.4-41.2177.5-63.9-56.695.700110.9I92 A121 P122 S123 I128 M129 S130 A354 G357 F361I92-M126 HydrophobicContact CG1-CG 4.43Å; A121-M126 HydrophobicContact CB-CE 4Å; A121-M126 HydrophobicContact CB-CG 3.94Å; A121-M126 HydrophobicContact CB-SD 3.75Å; P122-M126 WeakPolarHBondContact O-CG 3.26Å; P122-M126 PolarHBondContact O-N 3.32Å; P122-M126 VanDerWaalsContact O-N 3.13Å; S123-M126 PolarHBondContact O-N 3.4Å; M126-I128 VanDerWaalsContact C-N 3.32Å; M126-I128 PolarHBondContact O-N 2.88Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 3Å; M126-M129 VanDerWaalsContact O-N 3.16Å; M126-S130 PolarHBondContact O-N 2.96Å; M126-S130 VanDerWaalsContact O-N 3.08Å; M126-A354 WeakPolarHBondContact CB-O 3.42Å; M126-G357 WeakPolarHBondContact O-CA 3.25Å; M126-F361 HydrophobicContact CE-CB 4.45Å; M126-F361 HydrophobicContact CE-CD2 3.74Å; M126-F361 HydrophobicContact CE-CE2 4.04Å; M126-F361 HydrophobicContact CE-CG 4.03Å; M126-F361 HydrophobicContact SD-CB 3.69Å; M126-F361 HydrophobicContact SD-CD1 4.39Å; M126-F361 HydrophobicContact SD-CD2 4.11Å; M126-F361 HydrophobicContact SD-CG 3.81Å
127S91.9Very high90.7Very high0 Ų019.1 Ų19.10%012%0.119CC..Hα-helixtrans-61.8-39178.6-60.50000112.9S123 H124 L125 S130 I306 A354S123-S127 WeakPolarHBondContact O-CB 2.93Å; S123-S127 PolarHBondContact O-N 3.04Å; S123-S127 PolarHBondContact O-OG 2.95Å; H124-S127 PolarHBondContact O-N 3.21Å; L125-S127 VanDerWaalsContact C-N 3.25Å; L125-S127 PolarHBondContact O-N 2.98Å; S127-S130 WeakPolarHBondContact O-CB 3.35Å; S127-S130 PolarHBondContact O-N 3.25Å; S127-S130 PolarHBondContact O-OG 3.01Å; S127-I306 WeakPolarHBondContact OG-CD1 3.37Å; S127-A354 WeakPolarHBondContact OG-CA 3.4Å
128I91.6Very high91Very high0 Ų018.4 Ų18.40%011%0.114CC..Hα-helixtrans-67.2-41.4174-81.8173.9000112.1H124 L125 M126 S130 L131 G132 I133 V138 V151H124-I128 PolarHBondContact O-N 2.89Å; L125-I128 PolarHBondContact O-N 2.77Å; M126-I128 VanDerWaalsContact C-N 3.32Å; M126-I128 PolarHBondContact O-N 2.88Å; I128-S130 PolarHBondContact O-N 3.44Å; I128-L131 PolarHBondContact O-N 3.45Å; I128-G132 PolarHBondContact O-N 3.11Å; I128-I133 HydrophobicContact CG2-CG1 3.99Å; I128-I133 WeakPolarHBondContact CG2-O 3.45Å; I128-V138 HydrophobicContact CD1-CG2 3.44Å; I128-V138 VanDerWaalsContact CD1-CG2 3.44Å; I128-V138 HydrophobicContact CG1-CG2 3.52Å; I128-V151 HydrophobicContact CD1-CB 3.34Å; I128-V151 HydrophobicContact CD1-CG1 3.8Å; I128-V151 HydrophobicContact CD1-CG2 3.66Å
129M88.6Confident91.2Very high57 Ų5718.4 Ų18.428%0.28111%0.114SC..Hα-helixtrans-59.8-32.2176.5-67.1-65-69.800111.9L125 M126 L131 G132 F361L125-M129 WeakPolarHBondContact O-CG 3.39Å; L125-M129 PolarHBondContact O-N 2.88Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 3Å; M126-M129 VanDerWaalsContact O-N 3.16Å; M129-L131 PolarHBondContact O-N 3.47Å; M129-G132 PolarHBondContact O-N 3.1Å; M129-F361 HydrophobicContact CE-CD2 4.44Å
130S89.6Confident91.4Very high13 Ų1318.9 Ų18.99%0.09112%0.117CC..Hα-helixtrans-64.9-27.2176.382.20000113.9M126 S127 I128 T353M126-S130 PolarHBondContact O-N 2.96Å; M126-S130 VanDerWaalsContact O-N 3.08Å; S127-S130 WeakPolarHBondContact O-CB 3.35Å; S127-S130 PolarHBondContact O-N 3.25Å; S127-S130 PolarHBondContact O-OG 3.01Å; I128-S130 PolarHBondContact O-N 3.44Å; S130-T353 WeakPolarHBondContact OG-CG2 3.05Å
131L88.9Confident91.5Very high42 Ų4218.2 Ų18.222%0.2211%0.114CC..Hα-helixtrans-91.2-14.2179.1-76.1170.6000113I128 M129 I133 V304 H344 P346I128-L131 PolarHBondContact O-N 3.45Å; M129-L131 PolarHBondContact O-N 3.47Å; L131-I133 VanDerWaalsContact C-N 3.26Å; L131-I133 HydrophobicContact CB-CD1 4.24Å; L131-I133 HydrophobicContact CB-CG1 4.06Å; L131-I133 HydrophobicContact CB-CG2 4.4Å; L131-I133 HydrophobicContact CD1-CD1 4.05Å; L131-I133 PolarHBondContact O-N 3.25Å; L131-V304 HydrophobicContact CD1-CB 4.21Å; L131-V304 HydrophobicContact CD1-CG1 3.71Å; L131-V304 HydrophobicContact CD1-CG2 3.39Å; L131-H344 HydrophobicContact CD1-CB 4.02Å; L131-H344 HydrophobicContact CD2-CB 4.41Å; L131-P346 HydrophobicContact CD2-CB 4.43Å
132G87.9Confident91.6Very high65 Ų6518.9 Ų18.967%0.6712%0.121SC*.THydrogen-bonded Turntrans67.125.7-176.100000113.8I128 M129I128-G132 PolarHBondContact O-N 3.11Å; M129-G132 PolarHBondContact O-N 3.1Å
133I90.7Very high91.7Very high32 Ų3220 Ų2016%0.16413%0.125CC..  trans-102.2149.5174.165-177.4000109.7I128 L131 N302 V304I128-I133 HydrophobicContact CG2-CG1 3.99Å; I128-I133 WeakPolarHBondContact CG2-O 3.45Å; L131-I133 VanDerWaalsContact C-N 3.26Å; L131-I133 HydrophobicContact CB-CD1 4.24Å; L131-I133 HydrophobicContact CB-CG1 4.06Å; L131-I133 HydrophobicContact CB-CG2 4.4Å; L131-I133 HydrophobicContact CD1-CD1 4.05Å; L131-I133 PolarHBondContact O-N 3.25Å; I133-N302 HydrophobicContact CD1-CB 4.25Å; I133-V304 HydrophobicContact CD1-CG2 4.01Å
134N90.7Very high91.5Very high86 Ų8622.4 Ų22.446%0.4614%0.14SC..SBendtrans-88.9-33.2179.7-67.12.9000112.7E153 C154N134-E153 PolarHBondContact ND2-OE2 3.24Å; N134-E153 PolarHBondContact O-N 2.86Å; N134-C154 PolarHBondContact O-N 3.42Å
135S92.6Very high91.5Very high9 Ų925.4 Ų25.46%0.06315%0.153CC..SBendtrans-129.6130.1-172-62.20000109.7V151 Y152 E153 N302S135-V151 CarbonylContact C-O 3.43Å; S135-V151 WeakPolarHBondContact CA-O 3.43Å; S135-Y152 WeakPolarHBondContact OG-CD2 3.46Å; S135-E153 PolarHBondContact OG-N 2.96Å; S135-N302 WeakPolarHBondContact O-CB 3.31Å; S135-N302 PolarHBondContact O-ND2 3.17Å
136G93Very high91.6Very high0 Ų024 Ų240%015%0.146CC..EExtended strand (participates in β ladder)trans-172.5155.9179.700000112.9V151 L299 N302G136-V151 PolarHBondContact N-O 3.28Å; G136-V151 PolarHBondContact O-N 3.05Å; G136-V151 VanDerWaalsContact O-O 3.07Å; G136-L299 VanDerWaalsContact C-CD2 3.48Å; G136-L299 WeakPolarHBondContact O-CD2 3.4Å; G136-N302 CarbonylContact C-O 3.56Å; G136-N302 WeakPolarHBondContact CA-O 3.38Å
137L94.4Very high91.7Very high1 Ų124.1 Ų24.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-94.8120.8172.7-176.260.1000108.8V148 P150 V284 T287 L288 L299 N302 L303 V304L137-V148 HydrophobicContact CD1-CG1 3.51Å; L137-V148 HydrophobicContact CD2-CG1 4.43Å; L137-V148 HydrophobicContact CG-CG1 4.01Å; L137-P150 HydrophobicContact CD1-CB 3.86Å; L137-P150 HydrophobicContact CD1-CG 4.42Å; L137-V284 HydrophobicContact CD2-CG1 3.56Å; L137-T287 HydrophobicContact CD1-CG2 3.64Å; L137-L288 HydrophobicContact CD2-CD1 4.08Å; L137-L288 HydrophobicContact CD2-CD2 3.94Å; L137-L288 HydrophobicContact CD2-CG 3.74Å; L137-L299 HydrophobicContact CB-CB 4.35Å; L137-N302 PolarHBondContact N-O 3.15Å; L137-L303 HydrophobicContact CB-CD1 4.03Å; L137-L303 HydrophobicContact CD2-CD1 3.96Å; L137-L303 HydrophobicContact CG-CD1 3.96Å; L137-V304 PolarHBondContact O-N 3.22Å
138V94.6Very high91.9Very high0 Ų024.1 Ų24.10%015%0.147CC..EExtended strand (participates in β ladder)trans-108124.7-178.6-173.40000109.4H124 I128 V148 L149 V304 I306H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.23Å; H124-V138 HydrophobicContact CB-CG2 4.46Å; I128-V138 HydrophobicContact CD1-CG2 3.44Å; I128-V138 VanDerWaalsContact CD1-CG2 3.44Å; I128-V138 HydrophobicContact CG1-CG2 3.52Å; V138-V148 WeakPolarHBondContact O-CA 3.31Å; V138-L149 PolarHBondContact N-O 3.02Å; V138-L149 PolarHBondContact O-N 2.64Å; V138-V304 CarbonylContact C-O 3.57Å; V138-V304 WeakPolarHBondContact CA-O 3.4Å; V138-V304 HydrophobicContact CG2-CB 4.26Å; V138-I306 HydrophobicContact CG1-CD1 3.67Å; V138-I306 HydrophobicContact CG1-CG1 4.01Å; V138-I306 HydrophobicContact CG1-CG2 4.48Å
139M94.3Very high92Very high0 Ų024.3 Ų24.30%015%0.148CC..EExtended strand (participates in β ladder)trans-108.3115.5170.3-178.7175.38000109.3C141 T146 V148 V280 V284 V304 I305 I306 F315 L319M139-C141 VanDerWaalsContact CE-SG 3.6Å; M139-T146 HydrophobicContact CG-CG2 3.93Å; M139-T146 HydrophobicContact SD-CG2 4.33Å; M139-V148 HydrophobicContact CB-CG2 3.97Å; M139-V148 HydrophobicContact CG-CG2 3.7Å; M139-V148 HydrophobicContact SD-CG2 4.31Å; M139-V280 HydrophobicContact CE-CG1 3.96Å; M139-V280 HydrophobicContact SD-CG1 3.54Å; M139-V280 VanDerWaalsContact SD-CG1 3.54Å; M139-V284 HydrophobicContact SD-CG2 3.72Å; M139-V304 PolarHBondContact N-O 3.21Å; M139-I305 HydrophobicContact CE-CD1 4.24Å; M139-I305 HydrophobicContact CE-CG1 4.1Å; M139-I305 HydrophobicContact CE-CG2 3.7Å; M139-I306 PolarHBondContact O-N 3.01Å; M139-F315 HydrophobicContact CE-CE1 3.94Å; M139-F315 HydrophobicContact CE-CZ 4.16Å; M139-L319 HydrophobicContact CE-CD1 4.27Å; M139-L319 HydrophobicContact CE-CD2 3.34Å; M139-L319 HydrophobicContact CE-CG 4.43Å; M139-L319 HydrophobicContact SD-CD2 4.34Å
140D93.9Very high92.3Very high30 Ų3021.6 Ų21.616%0.1614%0.135CC..EExtended strand (participates in β ladder)trans-101103.3175-169.4-0.5000110.7G142 T146 L147 I306 G307D140-G142 PolarHBondContact O-N 3.24Å; D140-T146 CarbonylContact O-C 3.56Å; D140-T146 VanDerWaalsContact O-CA 3.27Å; D140-T146 WeakPolarHBondContact O-CA 3.47Å; D140-L147 PolarHBondContact N-O 3.41Å; D140-L147 PolarHBondContact O-N 3.36Å; D140-I306 HydrophobicContact CB-CD1 3.82Å; D140-I306 HydrophobicContact CB-CG1 3.62Å; D140-G307 WeakPolarHBondContact OD1-CA 3.31Å
141C93.1Very high92.5Very high1 Ų121 Ų211%0.00713%0.13CC..EExtended strand (participates in β ladder)trans-89.885.1174.5-63.90000110.4M139 T146 I306 G307 G308 T309M139-C141 VanDerWaalsContact CE-SG 3.6Å; C141-T146 HydrophobicContact CB-CG2 4.42Å; C141-T146 WeakPolarHBondContact SG-CG2 3.37Å; C141-I306 PolarHBondContact N-O 3.46Å; C141-G307 CarbonylContact O-C 3.47Å; C141-G307 WeakPolarHBondContact O-CA 3.44Å; C141-G308 PolarHBondContact O-N 2.93Å; C141-T309 PolarHBondContact O-N 2.9Å; C141-T309 PolarHBondContact O-OG1 3.37Å
142G91.2Very high92.7Very high18 Ų1823 Ų2319%0.18614%0.135CC..  trans-81.7-166.6-178.100000114.7D140 E145 G167 G168 T309D140-G142 PolarHBondContact O-N 3.24Å; G142-E145 WeakPolarHBondContact CA-O 3.3Å; G142-E145 PolarHBondContact N-O 3.02Å; G142-G167 WeakPolarHBondContact O-CA 3.33Å; G142-G168 PolarHBondContact O-N 3.21Å; G142-G168 VanDerWaalsContact O-N 3.13Å; G142-T309 PolarHBondContact O-OG1 3.39Å
143Y91.1Very high92.8Very high30 Ų3024.7 Ų24.712%0.11813%0.126CC..SBendtrans-81.5-46.3176.6175.7-95.7000112.1A22 A23 K53 G167 G168 K169 H172 E204A22-Y143 HydrophobicContact CB-CD1 3.98Å; A23-Y143 HydrophobicContact CB-CD1 4.24Å; A23-Y143 HydrophobicContact CB-CD2 3.69Å; A23-Y143 HydrophobicContact CB-CE2 4.33Å; A23-Y143 HydrophobicContact CB-CG 3.64Å; K53-Y143 PolarHBondContact NZ-OH 2.9Å; K53-Y143 VanDerWaalsContact NZ-OH 3.11Å; Y143-G167 CarbonylContact O-C 3.53Å; Y143-G168 PolarHBondContact O-N 3.22Å; Y143-K169 HydrophobicContact CD1-CB 4.31Å; Y143-K169 HydrophobicContact CE1-CB 3.83Å; Y143-K169 HydrophobicContact CE1-CD 4.33Å; Y143-K169 HydrophobicContact CE1-CG 4.25Å; Y143-K169 HydrophobicContact CE2-CB 4.34Å; Y143-K169 WeakPolarHBondContact O-CB 3.3Å; Y143-K169 PolarHBondContact O-N 2.81Å; Y143-H172 AromaticContact CE2-CE1 3.8Å; Y143-H172 AromaticContact CE2-ND1 3.5Å; Y143-H172 WeakPolarHBondContact CE2-ND1 3.45Å; Y143-E204 VanDerWaalsContact CZ-OE1 3.24Å; Y143-E204 PolarHBondContact OH-OE1 3.23Å
144T90Very high92.6Very high56 Ų5625.5 Ų25.534%0.34413%0.134SC..SBendtrans-82.5-41.1-178.642.50000113.2A22A22-T144 HydrophobicContact CB-CG2 3.73Å
145E91.3Very high92.5Very high62 Ų6227 Ų2729%0.2914%0.141SC..  trans-149159.9-171.863.1-172.6168.100110.4G142 L164G142-E145 WeakPolarHBondContact CA-O 3.3Å; G142-E145 PolarHBondContact N-O 3.02Å; E145-L164 CarbonylContact C-O 3.55Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.26Å; E145-L164 WeakPolarHBondContact CB-O 3.19Å
146T93.3Very high92.4Very high1 Ų128.2 Ų28.21%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-103.2120.6163.1-67.50000108.3M139 D140 C141 A163 L164 L166 V280 L283M139-T146 HydrophobicContact CG-CG2 3.93Å; M139-T146 HydrophobicContact SD-CG2 4.33Å; D140-T146 CarbonylContact O-C 3.56Å; D140-T146 VanDerWaalsContact O-CA 3.27Å; D140-T146 WeakPolarHBondContact O-CA 3.47Å; C141-T146 HydrophobicContact CB-CG2 4.42Å; C141-T146 WeakPolarHBondContact SG-CG2 3.37Å; T146-A163 VanDerWaalsContact O-CA 3.31Å; T146-A163 WeakPolarHBondContact O-CA 3.42Å; T146-L164 PolarHBondContact N-O 3.39Å; T146-L164 PolarHBondContact O-N 3.16Å; T146-L166 WeakPolarHBondContact CB-O 3.5Å; T146-L166 PolarHBondContact N-O 3.11Å; T146-L166 PolarHBondContact OG1-O 3.47Å; T146-V280 HydrophobicContact CG2-CG1 4.25Å; T146-L283 HydrophobicContact CG2-CD2 4.03Å
147L94.2Very high92.3Very high4 Ų429.7 Ų29.72%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-112.9133-178.7174.557.4000109.4S94 L96 H124 D140 W161 E162 A163S94-L147 WeakPolarHBondContact OG-CD2 3.42Å; L96-L147 HydrophobicContact CD1-CD1 3.68Å; L96-L147 HydrophobicContact CD1-CD2 3.98Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.42Å; L96-L147 HydrophobicContact CG-CD2 4.09Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.33Å; D140-L147 PolarHBondContact N-O 3.41Å; D140-L147 PolarHBondContact O-N 3.36Å; L147-W161 HydrophobicContact CD1-CB 4.46Å; L147-W161 HydrophobicContact CD1-CE3 3.94Å; L147-E162 WeakPolarHBondContact CD1-O 3.34Å; L147-A163 HydrophobicContact CD1-CB 4.03Å
148V95Very high92Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-114.1127.6171.3-178.60000108.7L137 V138 M139 W161 E162 L283 V284 T287L137-V148 HydrophobicContact CD1-CG1 3.51Å; L137-V148 HydrophobicContact CD2-CG1 4.43Å; L137-V148 HydrophobicContact CG-CG1 4.01Å; V138-V148 WeakPolarHBondContact O-CA 3.31Å; M139-V148 HydrophobicContact CB-CG2 3.97Å; M139-V148 HydrophobicContact CG-CG2 3.7Å; M139-V148 HydrophobicContact SD-CG2 4.31Å; V148-W161 WeakPolarHBondContact O-CA 3.28Å; V148-E162 PolarHBondContact N-O 2.97Å; V148-E162 PolarHBondContact O-N 3.07Å; V148-L283 HydrophobicContact CB-CD2 4.36Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.57Å; V148-L283 HydrophobicContact CG2-CG 3.69Å; V148-V284 HydrophobicContact CG2-CG2 4.34Å; V148-T287 HydrophobicContact CG1-CG2 3.77Å; V148-T287 WeakPolarHBondContact CG1-OG1 3.48Å
149L94.3Very high91.8Very high4 Ų438 Ų382%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-131.8124.3176.1-172.578.8000111.1I95 H124 V138 V151 P156 L158 W161I95-L149 HydrophobicContact CD1-CD1 4.33Å; I95-L149 HydrophobicContact CD1-CD2 3.1Å; I95-L149 HydrophobicContact CD1-CG 4.25Å; H124-L149 HydrophobicContact CB-CB 4.16Å; H124-L149 HydrophobicContact CB-CD2 3.6Å; H124-L149 VanDerWaalsContact CD2-CB 3.44Å; H124-L149 WeakPolarHBondContact CD2-CB 3.1Å; V138-L149 PolarHBondContact N-O 3.02Å; V138-L149 PolarHBondContact O-N 2.64Å; L149-V151 HydrophobicContact CD2-CG2 4.22Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.3Å; L149-L158 HydrophobicContact CD1-CD2 4.3Å; L149-W161 HydrophobicContact CD1-CB 3.88Å
150P94.9Very high91.6Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-80.8136.3169.921.5-12.5000111L137 I157 A160 T287 C291 L299L137-P150 HydrophobicContact CD1-CB 3.86Å; L137-P150 HydrophobicContact CD1-CG 4.42Å; P150-I157 HydrophobicContact CG-CB 4.14Å; P150-I157 PolarHBondContact O-N 3.34Å; P150-A160 HydrophobicContact CG-CB 3.78Å; P150-T287 HydrophobicContact CB-CG2 4.35Å; P150-T287 HydrophobicContact CG-CG2 3.64Å; P150-C291 WeakPolarHBondContact CG-SG 3.4Å; P150-L299 HydrophobicContact CB-CD1 3.73Å; P150-L299 HydrophobicContact CB-CD2 4.01Å
151V93.4Very high91.5Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-124.9128.8173.3178.90000108.3L125 I128 S135 G136 L149 I155 P156 L299L125-V151 HydrophobicContact CD1-CG1 4.1Å; I128-V151 HydrophobicContact CD1-CB 3.34Å; I128-V151 HydrophobicContact CD1-CG1 3.8Å; I128-V151 HydrophobicContact CD1-CG2 3.66Å; S135-V151 CarbonylContact C-O 3.43Å; S135-V151 WeakPolarHBondContact CA-O 3.43Å; G136-V151 PolarHBondContact N-O 3.28Å; G136-V151 PolarHBondContact O-N 3.05Å; G136-V151 VanDerWaalsContact O-O 3.07Å; L149-V151 HydrophobicContact CD2-CG2 4.22Å; V151-I155 WeakPolarHBondContact CA-O 3.38Å; V151-P156 HydrophobicContact CG2-CB 4.3Å; V151-L299 VanDerWaalsContact O-CD2 3.29Å; V151-L299 WeakPolarHBondContact O-CD2 3.45Å
152Y93.1Very high91.5Very high84 Ų8443.5 Ų43.533%0.32923%0.228SC..EExtended strand (participates in β ladder)trans-128127.4180-173.2-96.4000109.2S135 C154 I155 T295 A298S135-Y152 WeakPolarHBondContact OG-CD2 3.46Å; Y152-C154 PolarHBondContact O-N 3.4Å; Y152-I155 PolarHBondContact N-O 3.48Å; Y152-I155 PolarHBondContact O-N 3.34Å; Y152-T295 HydrophobicContact CD1-CG2 4.01Å; Y152-T295 HydrophobicContact CD2-CG2 3.71Å; Y152-T295 HydrophobicContact CE1-CG2 4.21Å; Y152-T295 HydrophobicContact CE2-CG2 3.93Å; Y152-T295 HydrophobicContact CG-CG2 3.76Å; Y152-A298 HydrophobicContact CE2-CB 4.13Å
153E90.6Very high91.6Very high101 Ų10143.9 Ų43.947%0.47223%0.229SC..THydrogen-bonded Turntrans47.646.6-174.9-62-59150.100113N134 S135 I155N134-E153 PolarHBondContact ND2-OE2 3.24Å; N134-E153 PolarHBondContact O-N 2.86Å; S135-E153 PolarHBondContact OG-N 2.96Å; E153-I155 PolarHBondContact O-N 3.13Å; E153-I155 VanDerWaalsContact O-N 3.16Å
154C85.9Confident91.6Very high48 Ų4843.3 Ų43.332%0.32423%0.228SC..THydrogen-bonded Turntrans62.513.2-177.5-55.90000115.5L125 N134 Y152L125-C154 HydrophobicContact CD1-CB 4.33Å; L125-C154 WeakPolarHBondContact CD1-O 3.32Å; N134-C154 PolarHBondContact O-N 3.42Å; Y152-C154 PolarHBondContact O-N 3.4Å
155I88.5Confident91.7Very high118 Ų11845.6 Ų45.661%0.60524%0.244SC*.EExtended strand (participates in β ladder)trans-110.7123.3175.2-59.5172.4000109.3V151 Y152 E153V151-I155 WeakPolarHBondContact CA-O 3.38Å; Y152-I155 PolarHBondContact N-O 3.48Å; Y152-I155 PolarHBondContact O-N 3.34Å; E153-I155 PolarHBondContact O-N 3.13Å; E153-I155 VanDerWaalsContact O-N 3.16Å
156P90.5Very high91.5Very high34 Ų3443.5 Ų43.522%0.22124%0.235CC..EExtended strand (participates in β ladder)trans-71.8132.2175.529.1-32.9000111.1L149 V151 L158L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.3Å; V151-P156 HydrophobicContact CG2-CB 4.3Å; P156-L158 HydrophobicContact CB-CD2 4.45Å; P156-L158 PolarHBondContact O-N 3.49Å
157I90.9Very high91.3Very high31 Ų3143.5 Ų43.516%0.15923%0.234CC..  trans-87.588.3176.5-54.4174.3000108.4P150 S159 A160 T295P150-I157 HydrophobicContact CG-CB 4.14Å; P150-I157 PolarHBondContact O-N 3.34Å; I157-S159 WeakPolarHBondContact CG2-OG 3.33Å; I157-S159 PolarHBondContact O-N 3.15Å; I157-A160 HydrophobicContact CG2-CB 3.97Å; I157-A160 PolarHBondContact O-N 3.19Å; I157-T295 HydrophobicContact CD1-CG2 4.39Å
158L89Confident91.1Very high77 Ų7743.4 Ų43.440%0.40323%0.234SC..THydrogen-bonded Turntrans-67.5-13.4-177.6-62.2178.8000114.3I95 L149 P156 A160I95-L158 HydrophobicContact CG2-CD2 3.77Å; L149-L158 HydrophobicContact CD1-CD2 4.3Å; P156-L158 HydrophobicContact CB-CD2 4.45Å; P156-L158 PolarHBondContact O-N 3.49Å; L158-A160 VanDerWaalsContact C-N 3.26Å
159S89.1Confident90.9Very high99 Ų9949.4 Ų49.469%0.69226%0.26SS*.THydrogen-bonded Turntrans-77.4-15.8174.558.40000113I157I157-S159 WeakPolarHBondContact CG2-OG 3.33Å; I157-S159 PolarHBondContact O-N 3.15Å
160A90.9Very high90.7Very high0 Ų050.2 Ų50.20%027%0.268CS..SBendtrans-115.512.3-170.100000113.6P150 I157 L158 T287 K290P150-A160 HydrophobicContact CG-CB 3.78Å; I157-A160 HydrophobicContact CG2-CB 3.97Å; I157-A160 PolarHBondContact O-N 3.19Å; L158-A160 VanDerWaalsContact C-N 3.26Å; A160-T287 WeakPolarHBondContact O-CG2 3.42Å; A160-K290 HydrophobicContact CB-CB 3.73Å
161W92.1Very high90.5Very high104 Ų10450.3 Ų50.339%0.39427%0.268SS..  trans-68.6152.1174.674.1-93.5000111.3L96 L147 V148 L149 A163L96-W161 HydrophobicContact CD1-CD2 4.27Å; L96-W161 HydrophobicContact CD1-CE3 3.61Å; L96-W161 HydrophobicContact CD1-CH2 3.91Å; L96-W161 HydrophobicContact CD1-CZ3 3.4Å; L96-W161 VanDerWaalsContact CD1-CZ3 3.4Å; L96-W161 HydrophobicContact CD2-CD2 4.1Å; L96-W161 HydrophobicContact CD2-CE3 4.26Å; L96-W161 HydrophobicContact CD2-CH2 4.21Å; L96-W161 HydrophobicContact CD2-CZ2 4.04Å; L96-W161 HydrophobicContact CD2-CZ3 4.32Å; L147-W161 HydrophobicContact CD1-CB 4.46Å; L147-W161 HydrophobicContact CD1-CE3 3.94Å; V148-W161 WeakPolarHBondContact O-CA 3.28Å; L149-W161 HydrophobicContact CD1-CB 3.88Å; W161-A163 HydrophobicContact CE3-CB 4.07Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å
162E92.7Very high90.4Very high43 Ų4350.9 Ų50.920%0.20127%0.271CS..EExtended strand (participates in β ladder)trans-141142.4169.7-65.2-79.3-160.300109.6L147 V148 L283 D286 T287 K290L147-E162 WeakPolarHBondContact CD1-O 3.34Å; V148-E162 PolarHBondContact N-O 2.97Å; V148-E162 PolarHBondContact O-N 3.07Å; E162-L283 HydrophobicContact CB-CD1 3.26Å; E162-L283 HydrophobicContact CB-CG 3.9Å; E162-L283 HydrophobicContact CG-CD1 4.18Å; E162-D286 HydrophobicContact CG-CB 4.49Å; E162-T287 WeakPolarHBondContact CG-OG1 3.4Å; E162-K290 HydrophobicContact CG-CD 4.37Å; E162-K290 WeakPolarHBondContact OE1-CE 3.41Å; E162-K290 IonicContact OE1-NZ 3.54Å; E162-K290 PolarHBondContact OE1-NZ 2.92Å; E162-K290 IonicContact OE2-NZ 2.66Å; E162-K290 PolarHBondContact OE2-NZ 3.48Å
163A92.8Very high90.3Very high26 Ų2655 Ų5522%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-135146.1175.400000111.3L96 T146 L147 W161L96-A163 HydrophobicContact CD1-CB 4.29Å; T146-A163 VanDerWaalsContact O-CA 3.31Å; T146-A163 WeakPolarHBondContact O-CA 3.42Å; L147-A163 HydrophobicContact CD1-CB 4.03Å; W161-A163 HydrophobicContact CE3-CB 4.07Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å
164L92.3Very high90.2Very high18 Ų1853.4 Ų53.49%0.09428%0.283CS..EExtended strand (participates in β ladder)trans-125.4141.7171.8-67.3174.4000109.8E145 T146 L166 K278 L283E145-L164 CarbonylContact C-O 3.55Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.26Å; E145-L164 WeakPolarHBondContact CB-O 3.19Å; T146-L164 PolarHBondContact N-O 3.39Å; T146-L164 PolarHBondContact O-N 3.16Å; L164-L166 HydrophobicContact CB-CB 4.26Å; L164-L166 HydrophobicContact CB-CD1 4.31Å; L164-L166 HydrophobicContact CB-CG 4.2Å; L164-L166 HydrophobicContact CD1-CD1 4.04Å; L164-L166 PolarHBondContact O-N 2.86Å; L164-K278 HydrophobicContact CD1-CB 4.39Å; L164-K278 HydrophobicContact CD2-CB 4.18Å; L164-K278 HydrophobicContact CD2-CD 4.01Å; L164-L283 HydrophobicContact CB-CD2 4.46Å; L164-L283 HydrophobicContact CD1-CB 4.22Å; L164-L283 HydrophobicContact CD1-CD1 3.9Å; L164-L283 HydrophobicContact CD1-CD2 4.15Å; L164-L283 HydrophobicContact CD1-CG 4.34Å; L164-L283 HydrophobicContact CD2-CD1 4.44Å; L164-L283 HydrophobicContact CG-CD1 3.7Å; L164-L283 HydrophobicContact CG-CD2 4.08Å; L164-L283 HydrophobicContact CG-CG 4.44Å
165P90.5Very high90.3Very high103 Ų10351.3 Ų51.367%0.66927%0.269SS*.SBendtrans-73.731.2172.834.8-37000112.4
166L88.1Confident90.3Very high19 Ų1948.1 Ų48.110%0.09925%0.253CS..  trans-99.3102.1175.2-64.7176.3000107.8T146 L164 M269 L270 V280T146-L166 WeakPolarHBondContact CB-O 3.5Å; T146-L166 PolarHBondContact N-O 3.11Å; T146-L166 PolarHBondContact OG1-O 3.47Å; L164-L166 HydrophobicContact CB-CB 4.26Å; L164-L166 HydrophobicContact CB-CD1 4.31Å; L164-L166 HydrophobicContact CB-CG 4.2Å; L164-L166 HydrophobicContact CD1-CD1 4.04Å; L164-L166 PolarHBondContact O-N 2.86Å; L166-M269 HydrophobicContact CD2-SD 3.56Å; L166-M269 VanDerWaalsContact CD2-SD 3.56Å; L166-L270 HydrophobicContact CB-CD2 4.4Å; L166-V280 HydrophobicContact CB-CG2 4.42Å; L166-V280 HydrophobicContact CD1-CG2 4.42Å
167G87.9Confident90.1Very high0 Ų048.1 Ų48.10%026%0.259CS..SBendtrans-152.8-162.8-179.900000111.5G142 Y143 K169 A170 I171G142-G167 WeakPolarHBondContact O-CA 3.33Å; Y143-G167 CarbonylContact O-C 3.53Å; G167-K169 PolarHBondContact O-N 3.32Å; G167-A170 PolarHBondContact O-N 3.28Å; G167-A170 VanDerWaalsContact O-N 3.16Å; G167-I171 WeakPolarHBondContact O-CG1 3.32Å; G167-I171 PolarHBondContact O-N 3.41Å
168G89.9Confident89.9Confident2 Ų247.3 Ų47.32%0.02126%0.255CS..Hα-helixtrans-54.1-37.6177.300000114.2G142 Y143 I171 H172G142-G168 PolarHBondContact O-N 3.21Å; G142-G168 VanDerWaalsContact O-N 3.13Å; Y143-G168 PolarHBondContact O-N 3.22Å; G168-I171 WeakPolarHBondContact O-CB 3.43Å; G168-I171 PolarHBondContact O-N 3.04Å; G168-H172 WeakPolarHBondContact O-CB 3.32Å; G168-H172 PolarHBondContact O-N 2.87Å
169K90.8Very high89.6Confident126 Ų12643.7 Ų43.755%0.54824%0.236SC..Hα-helixtrans-66.8-39.2179.2-172178.6-178.9-179.40112.7Y143 G167 H172 K173Y143-K169 HydrophobicContact CD1-CB 4.31Å; Y143-K169 HydrophobicContact CE1-CB 3.83Å; Y143-K169 HydrophobicContact CE1-CD 4.33Å; Y143-K169 HydrophobicContact CE1-CG 4.25Å; Y143-K169 HydrophobicContact CE2-CB 4.34Å; Y143-K169 WeakPolarHBondContact O-CB 3.3Å; Y143-K169 PolarHBondContact O-N 2.81Å; G167-K169 PolarHBondContact O-N 3.32Å; K169-H172 PolarHBondContact O-N 2.84Å; K169-K173 PolarHBondContact O-N 3.15Å
170A91.3Very high89.3Confident22 Ų2241.9 Ų41.918%0.18222%0.22CC..Hα-helixtrans-66.4-42.7176.700000110.4G167 H172 K173 E174 M269G167-A170 PolarHBondContact O-N 3.28Å; G167-A170 VanDerWaalsContact O-N 3.16Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 3.48Å; A170-K173 PolarHBondContact O-N 3.14Å; A170-E174 PolarHBondContact O-N 3.22Å; A170-M269 VanDerWaalsContact C-CE 3.42Å; A170-M269 HydrophobicContact CB-CE 3.7Å; A170-M269 HydrophobicContact CB-SD 4.34Å; A170-M269 WeakPolarHBondContact O-CE 3.13Å
171I91.3Very high88.9Confident1 Ų148.9 Ų48.91%0.00525%0.253CS..Hα-helixtrans-59.7-45.3174.2-66.5168.5000111G167 G168 E174 L175 K211 V266 M267 M269 L270 T309G167-I171 WeakPolarHBondContact O-CG1 3.32Å; G167-I171 PolarHBondContact O-N 3.41Å; G168-I171 WeakPolarHBondContact O-CB 3.43Å; G168-I171 PolarHBondContact O-N 3.04Å; I171-E174 PolarHBondContact O-N 2.64Å; I171-L175 VanDerWaalsContact O-CB 3.26Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.44Å; I171-K211 HydrophobicContact CG2-CD 3.94Å; I171-K211 HydrophobicContact CG2-CG 4.15Å; I171-V266 HydrophobicContact CG2-CG1 3.77Å; I171-M267 HydrophobicContact CD1-CE 4.39Å; I171-M267 HydrophobicContact CG2-CE 3.56Å; I171-M269 HydrophobicContact CG1-CE 4.34Å; I171-L270 HydrophobicContact CD1-CD1 3.93Å; I171-L270 HydrophobicContact CD1-CD2 4.18Å; I171-L270 HydrophobicContact CD1-CG 4.36Å; I171-L270 HydrophobicContact CG1-CD2 4.21Å; I171-L270 HydrophobicContact CG1-CG 4.45Å; I171-T309 HydrophobicContact CD1-CG2 3.63Å
172H90.9Very high88.1Confident12 Ų1247 Ų476%0.05625%0.249CC..Hα-helixtrans-61.2-44.3178.1-72.6176.6000112.2Y143 G168 K169 A170 L175 D176 E204 V207 K211Y143-H172 AromaticContact CE2-CE1 3.8Å; Y143-H172 AromaticContact CE2-ND1 3.5Å; Y143-H172 WeakPolarHBondContact CE2-ND1 3.45Å; G168-H172 WeakPolarHBondContact O-CB 3.32Å; G168-H172 PolarHBondContact O-N 2.87Å; K169-H172 PolarHBondContact O-N 2.84Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 3.48Å; H172-L175 PolarHBondContact O-N 2.69Å; H172-D176 WeakPolarHBondContact O-CB 3.46Å; H172-D176 PolarHBondContact O-N 2.93Å; H172-E204 IonicContact CE1-OE1 2.98Å; H172-E204 IonicContact ND1-OE1 2.62Å; H172-V207 HydrophobicContact CB-CG1 4Å; H172-K211 PolarHBondContact NE2-NZ 2.84Å
173K90.2Very high87Confident171 Ų17145.1 Ų45.174%0.74324%0.24SC*.Hα-helixtrans-62.6-42.9177.7-173.5-175.3176.7-1690112.2K169 A170 G177K169-K173 PolarHBondContact O-N 3.15Å; A170-K173 PolarHBondContact O-N 3.14Å; K173-G177 PolarHBondContact O-N 3.41Å
174E88.6Confident86.1Confident67 Ų6746.1 Ų46.131%0.31324%0.244SC..Hα-helixtrans-68.1-41.9178.3-17462.8-166.600111.6A170 I171 G177 L178 V266 M269A170-E174 PolarHBondContact O-N 3.22Å; I171-E174 PolarHBondContact O-N 2.64Å; E174-G177 PolarHBondContact O-N 3.44Å; E174-L178 HydrophobicContact CG-CD1 4.06Å; E174-L178 WeakPolarHBondContact O-CB 3.48Å; E174-L178 WeakPolarHBondContact O-CG 3.48Å; E174-L178 PolarHBondContact O-N 2.89Å; E174-V266 HydrophobicContact CG-CG2 4.43Å; E174-M269 HydrophobicContact CB-CE 4.17Å
175L88.7Confident85.3Confident4 Ų445.2 Ų45.22%0.02124%0.239CC..Hα-helixtrans-62.6-43.8176.5-166.4120.7000110.9I171 H172 L178 L179 V207 I210 V266I171-L175 VanDerWaalsContact O-CB 3.26Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.44Å; H172-L175 PolarHBondContact O-N 2.69Å; L175-L178 PolarHBondContact O-N 3.37Å; L175-L179 HydrophobicContact CD2-CD1 3.49Å; L175-L179 VanDerWaalsContact CD2-CD1 3.49Å; L175-L179 HydrophobicContact CD2-CG 4.28Å; L175-L179 HydrophobicContact CG-CD1 4.07Å; L175-L179 HydrophobicContact CG-CG 4.34Å; L175-L179 VanDerWaalsContact O-CB 3.24Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 2.57Å; L175-V207 HydrophobicContact CB-CG1 4.44Å; L175-V207 HydrophobicContact CD2-CB 4.33Å; L175-V207 HydrophobicContact CD2-CG1 3.55Å; L175-I210 HydrophobicContact CD1-CG2 4.29Å; L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4Å; L175-V266 HydrophobicContact CB-CG1 4.3Å; L175-V266 HydrophobicContact CB-CG2 4.31Å; L175-V266 HydrophobicContact CD1-CG1 4.27Å; L175-V266 HydrophobicContact CD1-CG2 4.17Å
176D87.9Confident84.4Confident52 Ų5242.1 Ų42.128%0.27822%0.217SC..Hα-helixtrans-61.3-45.8176.1-166.330.8000111.4H172 L178 L179 V180H172-D176 WeakPolarHBondContact O-CB 3.46Å; H172-D176 PolarHBondContact O-N 2.93Å; D176-L178 PolarHBondContact O-N 2.76Å; D176-L179 PolarHBondContact O-N 2.83Å; D176-V180 WeakPolarHBondContact O-CB 3.34Å; D176-V180 VanDerWaalsContact O-CG2 3.25Å; D176-V180 WeakPolarHBondContact O-CG2 3.32Å; D176-V180 PolarHBondContact O-N 3.23Å
177G87.1Confident83.5Confident33 Ų3342.5 Ų42.534%0.3422%0.221SC..Hα-helixtrans-58-50.7175.400000113.2K173 E174 V180 E181K173-G177 PolarHBondContact O-N 3.41Å; E174-G177 PolarHBondContact O-N 3.44Å; G177-V180 PolarHBondContact O-N 3.35Å; G177-E181 WeakPolarHBondContact O-CG 3.4Å; G177-E181 PolarHBondContact O-N 3.1Å; G177-E181 VanDerWaalsContact O-N 3.15Å
178L85.4Confident82.3Confident15 Ų1550 Ų508%0.07926%0.261CS..Hα-helixtrans-70.1-33.2-178.6-71.3173.3000113.2E174 L175 D176 Q182 I262 V266E174-L178 HydrophobicContact CG-CD1 4.06Å; E174-L178 WeakPolarHBondContact O-CB 3.48Å; E174-L178 WeakPolarHBondContact O-CG 3.48Å; E174-L178 PolarHBondContact O-N 2.89Å; L175-L178 PolarHBondContact O-N 3.37Å; D176-L178 PolarHBondContact O-N 2.76Å; L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 PolarHBondContact O-N 3.03Å; L178-I262 HydrophobicContact CB-CG1 4.48Å; L178-I262 HydrophobicContact CB-CG2 3.85Å; L178-I262 HydrophobicContact CD1-CG2 4.31Å; L178-V266 HydrophobicContact CD1-CG2 3.54Å
179L83.9Confident80.9Confident0 Ų055.6 Ų55.60%030%0.3CS..Hα-helixtrans-62.4-52.6172.8-75.8175.5000109.4L175 D176 E181 Q182 C183 L195 I202 I210 I258 I262L175-L179 HydrophobicContact CD2-CD1 3.49Å; L175-L179 VanDerWaalsContact CD2-CD1 3.49Å; L175-L179 HydrophobicContact CD2-CG 4.28Å; L175-L179 HydrophobicContact CG-CD1 4.07Å; L175-L179 HydrophobicContact CG-CG 4.34Å; L175-L179 VanDerWaalsContact O-CB 3.24Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 2.57Å; D176-L179 PolarHBondContact O-N 2.83Å; L179-E181 PolarHBondContact O-N 2.84Å; L179-Q182 PolarHBondContact O-N 3.46Å; L179-C183 HydrophobicContact CB-CB 4.43Å; L179-C183 HydrophobicContact CD2-CB 4.05Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.17Å; L179-L195 HydrophobicContact CB-CD1 3.79Å; L179-L195 WeakPolarHBondContact O-CD1 3.48Å; L179-I202 HydrophobicContact CB-CD1 4.46Å; L179-I202 HydrophobicContact CD1-CD1 3.89Å; L179-I210 HydrophobicContact CD1-CD1 4.34Å; L179-I258 HydrophobicContact CD2-CG1 4.26Å; L179-I262 HydrophobicContact CD2-CD1 4.45Å
180V83Confident79.3Confident61 Ų6151.3 Ų51.337%0.3729%0.286SS..Hα-helixtrans-54.9-38.2-179.9169.70000112.2D176 G177 P196D176-V180 WeakPolarHBondContact O-CB 3.34Å; D176-V180 VanDerWaalsContact O-CG2 3.25Å; D176-V180 WeakPolarHBondContact O-CG2 3.32Å; D176-V180 PolarHBondContact O-N 3.23Å; G177-V180 PolarHBondContact O-N 3.35Å; V180-P196 HydrophobicContact CG1-CB 4.25Å; V180-P196 HydrophobicContact CG1-CG 4.26Å; V180-P196 WeakPolarHBondContact O-CD 3.43Å
181E80.7Confident77.5Confident148 Ų14856 Ų5669%0.69231%0.312SS*.Hα-helixtrans-76.5-41.8-179.6-72179.2-178.300114.3G177 L179G177-E181 WeakPolarHBondContact O-CG 3.4Å; G177-E181 PolarHBondContact O-N 3.1Å; G177-E181 VanDerWaalsContact O-N 3.15Å; L179-E181 PolarHBondContact O-N 2.84Å
182Q75.2Confident75.9Confident64 Ų6458 Ų5830%0.29933%0.334SS..Hα-helixtrans-121.4-10.7-160.5-61-179.924.700115.1L178 L179 K259 I262L178-Q182 WeakPolarHBondContact O-CB 3.38Å; L178-Q182 PolarHBondContact O-N 3.03Å; L179-Q182 PolarHBondContact O-N 3.46Å; Q182-K259 WeakPolarHBondContact O-CE 3.48Å; Q182-K259 PolarHBondContact O-NZ 3.01Å; Q182-I262 HydrophobicContact CB-CD1 3.94Å; Q182-I262 HydrophobicContact CB-CG1 4.35Å
183C70.3Confident74.5Confident3 Ų361.1 Ų61.12%0.0235%0.348CS..  trans-86.7140.7-175.9-166.70000112L179 L195 H257L179-C183 HydrophobicContact CB-CB 4.43Å; L179-C183 HydrophobicContact CD2-CB 4.05Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.17Å; C183-L195 HydrophobicContact CB-CD1 3.45Å; C183-L195 VanDerWaalsContact CB-CD1 3.45Å; C183-L195 HydrophobicContact CB-CG 4.03Å; C183-H257 PolarHBondContact SG-O 3.43Å; C183-H257 VanDerWaalsContact SG-O 3.4Å
184T74.3Confident73Confident47 Ų4756.2 Ų56.229%0.28834%0.336SS..EExtended strand (participates in β ladder)trans-107.2137.8172.348.80000109.8H257T184-H257 PolarHBondContact O-N 3.02Å
185V76.4Confident71.5Confident0 Ų053.1 Ų53.10%032%0.321CS..EExtended strand (participates in β ladder)trans-105.7129.4175-170.20000108.5G192 Q193 L195 K254 L256V185-G192 PolarHBondContact O-N 3.48Å; V185-Q193 PolarHBondContact N-O 2.9Å; V185-Q193 PolarHBondContact O-N 3.49Å; V185-L195 HydrophobicContact CG2-CD2 3.35Å; V185-L195 HydrophobicContact CG2-CG 3.75Å; V185-K254 HydrophobicContact CG1-CB 4.25Å; V185-L256 HydrophobicContact CB-CD2 4.29Å; V185-L256 HydrophobicContact CG1-CD2 4.12Å; V185-L256 HydrophobicContact CG2-CD2 3.65Å
186D70.7Confident70Confident37 Ų3756.5 Ų56.520%0.19834%0.344CS..EExtended strand (participates in β ladder)trans-101.8127.6167.4-74.2-1.8000108.8T191 G192 K254 I255 H257D186-T191 WeakPolarHBondContact OD1-CA 3.18Å; D186-T191 VanDerWaalsContact OD2-CG2 3.28Å; D186-T191 WeakPolarHBondContact OD2-CG2 3.39Å; D186-G192 PolarHBondContact OD1-N 2.98Å; D186-K254 WeakPolarHBondContact O-CA 3.48Å; D186-I255 PolarHBondContact N-O 2.8Å; D186-I255 PolarHBondContact O-N 2.89Å; D186-H257 IonicContact OD2-CD2 3.99Å; D186-H257 IonicContact OD2-NE2 3.43Å; D186-H257 PolarHBondContact OD2-NE2 3.18Å
187S69.9Low68.4Low27 Ų2759.7 Ų59.719%0.18937%0.365CS..EExtended strand (participates in β ladder)trans-116.7156.9166.8-630000108.6S189 S190S187-S189 PolarHBondContact O-N 3.4Å; S187-S190 PolarHBondContact N-O 3.4Å; S187-S190 CarbonylContact O-C 3.6Å; S187-S190 PolarHBondContact O-N 2.97Å
188D61.6Low67Low158 Ų15860 Ų6085%0.84536%0.36SS*.THydrogen-bonded Turntrans-49.8-19.8-175.8-73.1-22.7000115.8
189S60.1Low65.8Low119 Ų11961 Ų6183%0.83237%0.365SS*.THydrogen-bonded Turntrans-111.9-8.9-178.553.90000115.5S187S187-S189 PolarHBondContact O-N 3.4Å
190S57.1Low64.7Low36 Ų3665 Ų6525%0.25241%0.406SS..EExtended strand (participates in β ladder)trans-158.8126.3177.161.50000112.6S187 Q193S187-S190 PolarHBondContact N-O 3.4Å; S187-S190 CarbonylContact O-C 3.6Å; S187-S190 PolarHBondContact O-N 2.97Å; S190-Q193 VanDerWaalsContact OG-CD 3.29Å; S190-Q193 PolarHBondContact OG-NE2 3.41Å
191T54Low64Low120 Ų12066.1 Ų66.174%0.73642%0.417SS*.EExtended strand (participates in β ladder)trans-83132.5172.69.10000110.3D186D186-T191 WeakPolarHBondContact OD1-CA 3.18Å; D186-T191 VanDerWaalsContact OD2-CG2 3.28Å; D186-T191 WeakPolarHBondContact OD2-CG2 3.39Å
192G57.4Low63.8Low45 Ų4559.7 Ų59.746%0.46439%0.387SS..EExtended strand (participates in β ladder)trans8540.216700000117.2V185 D186V185-G192 PolarHBondContact O-N 3.48Å; D186-G192 PolarHBondContact OD1-N 2.98Å
193Q61.3Low64.2Low76 Ų7660.2 Ų60.236%0.35540%0.396SS..EExtended strand (participates in β ladder)trans-84.4136.7170.5-66.7-172.7-26.700111.3V185 S190 V198V185-Q193 PolarHBondContact N-O 2.9Å; V185-Q193 PolarHBondContact O-N 3.49Å; S190-Q193 VanDerWaalsContact OG-CD 3.29Å; S190-Q193 PolarHBondContact OG-NE2 3.41Å; Q193-V198 HydrophobicContact CB-CG2 3.76Å
194S59.3Low64.8Low68 Ų6863.5 Ų63.548%0.47641%0.411SS..EExtended strand (participates in β ladder)trans-69.5136.5173.8-57.10000110.7P196 T197S194-P196 VanDerWaalsContact C-CD 3.41Å; S194-T197 PolarHBondContact O-N 2.85Å; S194-T197 VanDerWaalsContact O-N 3.1Å
195L57.7Low65.3Low3 Ų367.9 Ų67.92%0.01643%0.428CS..Hα-helixtrans-43.9-47.5178.6-86.1177000116L179 C183 V185 T197 V198 I199 I202 L256L179-L195 HydrophobicContact CB-CD1 3.79Å; L179-L195 WeakPolarHBondContact O-CD1 3.48Å; C183-L195 HydrophobicContact CB-CD1 3.45Å; C183-L195 VanDerWaalsContact CB-CD1 3.45Å; C183-L195 HydrophobicContact CB-CG 4.03Å; V185-L195 HydrophobicContact CG2-CD2 3.35Å; V185-L195 HydrophobicContact CG2-CG 3.75Å; L195-T197 PolarHBondContact O-N 2.77Å; L195-V198 PolarHBondContact O-N 2.6Å; L195-I199 HydrophobicContact CD2-CD1 4.45Å; L195-I199 PolarHBondContact O-N 3.41Å; L195-I199 VanDerWaalsContact O-O 3.14Å; L195-I202 HydrophobicContact CD1-CD1 4.08Å; L195-I202 HydrophobicContact CD2-CD1 4.41Å; L195-L256 HydrophobicContact CD2-CD2 3.77Å
196P57.5Low65.8Low75 Ų7568.8 Ų68.849%0.48743%0.434SS..Hα-helixtrans-63.9-16.9-175.421.3-33000114.3V180 S194V180-P196 HydrophobicContact CG1-CB 4.25Å; V180-P196 HydrophobicContact CG1-CG 4.26Å; V180-P196 WeakPolarHBondContact O-CD 3.43Å; S194-P196 VanDerWaalsContact C-CD 3.41Å
197T54.3Low66.7Low118 Ų11867.2 Ų67.272%0.72443%0.426SS*.Hα-helixtrans-85.9-21177.4-490000112.4S194 L195S194-T197 PolarHBondContact O-N 2.85Å; S194-T197 VanDerWaalsContact O-N 3.1Å; L195-T197 PolarHBondContact O-N 2.77Å
198V56.2Low67.6Low41 Ų4167.7 Ų67.725%0.24843%0.425CS..Hα-helixtrans-113.3-33.8-170.9-172.80000112.5Q193 L195Q193-V198 HydrophobicContact CB-CG2 3.76Å; L195-V198 PolarHBondContact O-N 2.6Å
199I60.8Low68.9Low35 Ų3562 Ų6218%0.17940%0.395CS..  trans-138.7120-176.3-56178000108.2L195 S201 I202 L250L195-I199 HydrophobicContact CD2-CD1 4.45Å; L195-I199 PolarHBondContact O-N 3.41Å; L195-I199 VanDerWaalsContact O-O 3.14Å; I199-S201 WeakPolarHBondContact CG2-O 3.28Å; I199-I202 HydrophobicContact CG2-CG1 4.46Å; I199-L250 HydrophobicContact CD1-CD2 3.4Å
200G62Low70.3Confident83 Ų8356.4 Ų56.486%0.85636%0.355SS*.SBendtrans-70.9-33.5-179.800000114
201S68.1Low71.9Confident86 Ų8655.7 Ų55.760%0.60135%0.347SS*.  trans-157.4135.5175.1178.70000109.5I199I199-S201 WeakPolarHBondContact CG2-O 3.28Å
202I75.9Confident73.6Confident13 Ų1354.6 Ų54.67%0.06734%0.341CS..  trans-81.4135.3176.8-56.9173.7000108.1L179 L195 I199 V206 V207L179-I202 HydrophobicContact CB-CD1 4.46Å; L179-I202 HydrophobicContact CD1-CD1 3.89Å; L195-I202 HydrophobicContact CD1-CD1 4.08Å; L195-I202 HydrophobicContact CD2-CD1 4.41Å; I199-I202 HydrophobicContact CG2-CG1 4.46Å; I202-V206 HydrophobicContact CG2-CB 3.89Å; I202-V206 HydrophobicContact CG2-CG1 3.76Å; I202-V207 HydrophobicContact CB-CG2 4.1Å; I202-V207 HydrophobicContact CG2-CG2 3.83Å
203P82.9Confident75.1Confident75 Ų7560.5 Ų60.549%0.48735%0.349SS..  trans-61.4142.317625.4-33.7000111.2E205 V206 V207P203-E205 PolarHBondContact O-N 3.49Å; P203-V206 HydrophobicContact CG-CB 4.06Å; P203-V206 HydrophobicContact CG-CG2 3.69Å; P203-V206 PolarHBondContact O-N 2.95Å; P203-V207 PolarHBondContact O-N 3.27Å
204E82.8Confident76.2Confident71 Ų7157.1 Ų57.133%0.33233%0.333SS..Hα-helixtrans-60.4-31.2-174.9-167.1179.4151.900113.1K53 Y143 H172 V206 V207 E208K53-E204 WeakPolarHBondContact CE-OE2 3.37Å; K53-E204 IonicContact NZ-OE1 2.98Å; K53-E204 PolarHBondContact NZ-OE1 2.91Å; K53-E204 IonicContact NZ-OE2 3.43Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å; Y143-E204 VanDerWaalsContact CZ-OE1 3.24Å; Y143-E204 PolarHBondContact OH-OE1 3.23Å; H172-E204 IonicContact CE1-OE1 2.98Å; H172-E204 IonicContact ND1-OE1 2.62Å; E204-V206 VanDerWaalsContact C-N 3.32Å; E204-V206 PolarHBondContact O-N 2.97Å; E204-V207 PolarHBondContact O-N 2.74Å; E204-E208 WeakPolarHBondContact O-CB 3.44Å; E204-E208 PolarHBondContact O-N 2.83Å
205E84.8Confident77.5Confident140 Ų14054.1 Ų54.165%0.65431%0.312SS*.Hα-helixtrans-60.4-40.4175.3-62.1-175.8173.500112.1P203 E208 D209P203-E205 PolarHBondContact O-N 3.49Å; E205-E208 PolarHBondContact O-N 3.43Å; E205-D209 PolarHBondContact O-N 3.42Å
206V87.8Confident79Confident18 Ų1856.5 Ų56.511%0.10932%0.322CS..Hα-helixtrans-71.9-41.1178.21710000110.6I202 P203 E204 E208 D209 I210 Y248 L250I202-V206 HydrophobicContact CG2-CB 3.89Å; I202-V206 HydrophobicContact CG2-CG1 3.76Å; P203-V206 HydrophobicContact CG-CB 4.06Å; P203-V206 HydrophobicContact CG-CG2 3.69Å; P203-V206 PolarHBondContact O-N 2.95Å; E204-V206 VanDerWaalsContact C-N 3.32Å; E204-V206 PolarHBondContact O-N 2.97Å; V206-E208 VanDerWaalsContact C-N 3.26Å; V206-E208 PolarHBondContact O-N 2.87Å; V206-D209 PolarHBondContact O-N 3.24Å; V206-I210 HydrophobicContact CG1-CD1 3.85Å; V206-I210 HydrophobicContact CG1-CG1 4.37Å; V206-I210 WeakPolarHBondContact O-CB 3.4Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.49Å; V206-I210 PolarHBondContact O-N 3.43Å; V206-Y248 HydrophobicContact CG1-CE1 3.68Å; V206-L250 HydrophobicContact CG1-CD1 3.87Å; V206-L250 HydrophobicContact CG2-CD1 4.21Å
207V88.8Confident80.5Confident5 Ų553.4 Ų53.43%0.0330%0.302CS..Hα-helixtrans-59.7-39.9174.5176.10000110.5H172 L175 I202 P203 E204 K211H172-V207 HydrophobicContact CB-CG1 4Å; L175-V207 HydrophobicContact CB-CG1 4.44Å; L175-V207 HydrophobicContact CD2-CB 4.33Å; L175-V207 HydrophobicContact CD2-CG1 3.55Å; I202-V207 HydrophobicContact CB-CG2 4.1Å; I202-V207 HydrophobicContact CG2-CG2 3.83Å; P203-V207 PolarHBondContact O-N 3.27Å; E204-V207 PolarHBondContact O-N 2.74Å; V207-K211 WeakPolarHBondContact O-CB 3.27Å; V207-K211 PolarHBondContact O-N 2.83Å
208E88.9Confident82.1Confident36 Ų3648 Ų4817%0.16827%0.269CS..Hα-helixtrans-65.1-44.8173.5176.7145.6-121.400113.1Y24 E204 E205 V206 I210 K211 V212Y24-E208 WeakPolarHBondContact CE2-OE2 3.38Å; Y24-E208 VanDerWaalsContact CZ-OE2 3.32Å; Y24-E208 VanDerWaalsContact OH-CD 3.25Å; Y24-E208 PolarHBondContact OH-OE2 3.15Å; E204-E208 WeakPolarHBondContact O-CB 3.44Å; E204-E208 PolarHBondContact O-N 2.83Å; E205-E208 PolarHBondContact O-N 3.43Å; V206-E208 VanDerWaalsContact C-N 3.26Å; V206-E208 PolarHBondContact O-N 2.87Å; E208-I210 PolarHBondContact O-N 2.82Å; E208-K211 WeakPolarHBondContact O-CB 3.26Å; E208-K211 PolarHBondContact O-N 2.9Å; E208-K211 IonicContact OE1-NZ 3.95Å; E208-K211 PolarHBondContact OE1-NZ 3.16Å; E208-V212 HydrophobicContact CG-CG2 4.42Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 2.93Å
209D90Very high83.7Confident40 Ų4050.5 Ų50.521%0.21428%0.281CS..Hα-helixtrans-64.4-41.2178.7-16949.6000111.8E205 V206 K211 V212 R213 Y248E205-D209 PolarHBondContact O-N 3.42Å; V206-D209 PolarHBondContact O-N 3.24Å; D209-K211 PolarHBondContact O-N 3.26Å; D209-V212 PolarHBondContact O-N 3.24Å; D209-R213 WeakPolarHBondContact O-CB 3.47Å; D209-R213 WeakPolarHBondContact O-CG 3.39Å; D209-R213 PolarHBondContact O-N 2.84Å; D209-R213 IonicContact OD1-CZ 3.99Å; D209-R213 IonicContact OD1-NE 2.81Å; D209-R213 PolarHBondContact OD1-NE 3.19Å; D209-R213 IonicContact OD1-NH2 3.09Å; D209-R213 PolarHBondContact OD1-NH2 3.37Å; D209-R213 IonicContact OD2-CZ 3.39Å; D209-R213 IonicContact OD2-NE 2.79Å; D209-R213 PolarHBondContact OD2-NE 3.23Å; D209-R213 IonicContact OD2-NH1 3.2Å; D209-R213 PolarHBondContact OD2-NH1 3.37Å; D209-R213 IonicContact OD2-NH2 2.68Å; D209-R213 PolarHBondContact OD2-NH2 3.26Å; D209-Y248 WeakPolarHBondContact OD2-CE2 3.27Å; D209-Y248 PolarHBondContact OD2-OH 2.88Å
210I89.2Confident85.1Confident0 Ų050.3 Ų50.30%028%0.281CS..Hα-helixtrans-58.2-48.2171.5-69.6167.8000110.3L175 L179 V206 E208 V212 R213 T214 Y248 L256 I258L175-I210 HydrophobicContact CD1-CG2 4.29Å; L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4Å; L179-I210 HydrophobicContact CD1-CD1 4.34Å; V206-I210 HydrophobicContact CG1-CD1 3.85Å; V206-I210 HydrophobicContact CG1-CG1 4.37Å; V206-I210 WeakPolarHBondContact O-CB 3.4Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.49Å; V206-I210 PolarHBondContact O-N 3.43Å; E208-I210 PolarHBondContact O-N 2.82Å; I210-V212 VanDerWaalsContact C-N 3.33Å; I210-V212 PolarHBondContact O-N 2.93Å; I210-R213 PolarHBondContact O-N 3.03Å; I210-T214 HydrophobicContact CG2-CG2 4.31Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.48Å; I210-T214 WeakPolarHBondContact O-CB 3.33Å; I210-T214 PolarHBondContact O-N 3.46Å; I210-T214 PolarHBondContact O-OG1 2.99Å; I210-Y248 HydrophobicContact CD1-CD1 4.15Å; I210-Y248 HydrophobicContact CD1-CE1 4.29Å; I210-Y248 HydrophobicContact CD1-CG 4.37Å; I210-Y248 HydrophobicContact CG1-CD1 4.04Å; I210-Y248 HydrophobicContact CG1-CD2 3.78Å; I210-Y248 HydrophobicContact CG1-CE1 4.1Å; I210-Y248 HydrophobicContact CG1-CE2 3.83Å; I210-Y248 HydrophobicContact CG1-CG 3.88Å; I210-L256 HydrophobicContact CD1-CD1 4.49Å; I210-I258 HydrophobicContact CB-CD1 4.47Å; I210-I258 HydrophobicContact CD1-CD1 4.17Å; I210-I258 HydrophobicContact CG1-CD1 4.09Å; I210-I258 HydrophobicContact CG2-CD1 3.58Å
211K90.3Very high86.3Confident21 Ų2154.9 Ų54.99%0.09128%0.277CS..Hα-helixtrans-56.9-45.3177.7173.9-16569.9-1720111.5I171 H172 V207 E208 D209 C215I171-K211 HydrophobicContact CG2-CD 3.94Å; I171-K211 HydrophobicContact CG2-CG 4.15Å; H172-K211 PolarHBondContact NE2-NZ 2.84Å; V207-K211 WeakPolarHBondContact O-CB 3.27Å; V207-K211 PolarHBondContact O-N 2.83Å; E208-K211 WeakPolarHBondContact O-CB 3.26Å; E208-K211 PolarHBondContact O-N 2.9Å; E208-K211 IonicContact OE1-NZ 3.95Å; E208-K211 PolarHBondContact OE1-NZ 3.16Å; D209-K211 PolarHBondContact O-N 3.26Å; K211-C215 VanDerWaalsContact O-CB 3.27Å; K211-C215 WeakPolarHBondContact O-CB 3.33Å; K211-C215 PolarHBondContact O-N 2.93Å
212V90.4Very high87.1Confident98 Ų9853.9 Ų53.959%0.59426%0.26SS*.Hα-helixtrans-71.2-40-177173.20000112.1E208 D209 I210E208-V212 HydrophobicContact CG-CG2 4.42Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 2.93Å; D209-V212 PolarHBondContact O-N 3.24Å; I210-V212 VanDerWaalsContact C-N 3.33Å; I210-V212 PolarHBondContact O-N 2.93Å
213R87.7Confident87.5Confident169 Ų16953.2 Ų53.264%0.63826%0.257SS*.Hα-helixtrans-84.5-36.3-175.4-65-177.2-166.8-1809.4113.6D209 I210D209-R213 WeakPolarHBondContact O-CB 3.47Å; D209-R213 WeakPolarHBondContact O-CG 3.39Å; D209-R213 PolarHBondContact O-N 2.84Å; D209-R213 IonicContact OD1-CZ 3.99Å; D209-R213 IonicContact OD1-NE 2.81Å; D209-R213 PolarHBondContact OD1-NE 3.19Å; D209-R213 IonicContact OD1-NH2 3.09Å; D209-R213 PolarHBondContact OD1-NH2 3.37Å; D209-R213 IonicContact OD2-CZ 3.39Å; D209-R213 IonicContact OD2-NE 2.79Å; D209-R213 PolarHBondContact OD2-NE 3.23Å; D209-R213 IonicContact OD2-NH1 3.2Å; D209-R213 PolarHBondContact OD2-NH1 3.37Å; D209-R213 IonicContact OD2-NH2 2.68Å; D209-R213 PolarHBondContact OD2-NH2 3.26Å; I210-R213 PolarHBondContact O-N 3.03Å
214T84.8Confident87.6Confident5 Ų552.7 Ų52.73%0.03125%0.249CC..Hα-helixtrans-105.2-37.3-168.574.10000112.7I210 V246 I258 R263I210-T214 HydrophobicContact CG2-CG2 4.31Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.48Å; I210-T214 WeakPolarHBondContact O-CB 3.33Å; I210-T214 PolarHBondContact O-N 3.46Å; I210-T214 PolarHBondContact O-OG1 2.99Å; T214-V246 HydrophobicContact CG2-CG1 4.1Å; T214-I258 HydrophobicContact CG2-CD1 4.26Å; T214-R263 PolarHBondContact O-NE 2.98Å; T214-R263 PolarHBondContact O-NH2 3.37Å
215C86.8Confident87.8Confident4 Ų454.7 Ų54.73%0.02726%0.257CS..  trans-75.7141.8-172.8-61.80000112.1K211 M267K211-C215 VanDerWaalsContact O-CB 3.27Å; K211-C215 WeakPolarHBondContact O-CB 3.33Å; K211-C215 PolarHBondContact O-N 2.93Å; C215-M267 HydrophobicContact CB-CE 3.53Å; C215-M267 HydrophobicContact CB-CG 4.15Å; C215-M267 HydrophobicContact CB-SD 4.12Å
216F88.2Confident87.6Confident53 Ų5348.9 Ų48.923%0.23223%0.23CC..  trans-142.4152.517366.8-87.9000109.7P243 D264 M267 P313F216-P243 HydrophobicContact CE1-CB 3.92Å; F216-P243 HydrophobicContact CE1-CG 3.99Å; F216-P243 HydrophobicContact CZ-CB 3.72Å; F216-P243 HydrophobicContact CZ-CG 3.84Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.25Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.45Å; F216-M267 WeakPolarHBondContact O-CG 3.5Å; F216-P313 HydrophobicContact CB-CG 3.92Å
217V89.3Confident87.3Confident10 Ų1049.5 Ų49.56%0.06123%0.232CC..PPolyproline II helixtrans-87.4125.4-179.2-176.70000109.6F271 L312 P313 F315 R318V217-F271 HydrophobicContact CG1-CE2 3.76Å; V217-F271 HydrophobicContact CG1-CZ 4.41Å; V217-L312 HydrophobicContact CG2-CB 3.94Å; V217-L312 HydrophobicContact CG2-CD1 4.43Å; V217-P313 PolarHBondContact N-O 3.39Å; V217-F315 HydrophobicContact CG2-CB 3.96Å; V217-F315 HydrophobicContact CG2-CD2 4.14Å; V217-R318 HydrophobicContact CG1-CB 3.54Å; V217-R318 HydrophobicContact CG1-CG 3.71Å
218S88.8Confident87Confident5 Ų554.7 Ų54.74%0.03526%0.256CS..PPolyproline II helixtrans-74.6149.6176.7-80.40000112.5R222 R318S218-R222 WeakPolarHBondContact OG-CD 3.48Å; S218-R318 VanDerWaalsContact O-CD 3.31Å; S218-R318 WeakPolarHBondContact O-CD 3.36Å; S218-R318 PolarHBondContact O-NH1 3.28Å
219D90.1Very high86.5Confident93 Ų9353.6 Ų53.650%0.49725%0.253SS..PPolyproline II helixtrans-63.9155.3173.2-74.2-36.2000112.6K221 R222 G223 H317D219-K221 PolarHBondContact O-N 3.11Å; D219-R222 WeakPolarHBondContact O-CA 3.5Å; D219-R222 WeakPolarHBondContact O-CB 3.49Å; D219-R222 PolarHBondContact O-N 3.43Å; D219-G223 PolarHBondContact O-N 3.23Å; D219-H317 IonicContact OD1-CE1 2.88Å; D219-H317 IonicContact OD1-ND1 3.69Å; D219-H317 PolarHBondContact OD1-ND1 3.01Å
220L88.7Confident85.8Confident32 Ų3255.2 Ų55.217%0.16826%0.258CS..Hα-helixtrans-50-49.8-179.6176.966.8000113.3R222 G223 L224 A321 E322 L325L220-R222 PolarHBondContact O-N 2.72Å; L220-G223 PolarHBondContact O-N 3.18Å; L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 HydrophobicContact CD1-CG 4.35Å; L220-L224 HydrophobicContact CG-CD1 4.29Å; L220-L224 WeakPolarHBondContact O-CG 3.28Å; L220-L224 PolarHBondContact O-N 3.49Å; L220-A321 HydrophobicContact CB-CB 4.09Å; L220-A321 HydrophobicContact CD2-CB 4.11Å; L220-E322 VanDerWaalsContact CD1-CD 3.49Å; L220-E322 WeakPolarHBondContact CD1-OE1 3.43Å; L220-E322 WeakPolarHBondContact CD1-OE2 3.34Å; L220-L325 HydrophobicContact CD1-CD2 4.05Å; L220-L325 HydrophobicContact CD2-CB 4.37Å; L220-L325 HydrophobicContact CD2-CD2 4.27Å
221K87.8Confident84.9Confident178 Ų17862.1 Ų62.177%0.77429%0.288SS*.Hα-helixtrans-62.1-32.5-179.1-65.1-178.9-178177.80112.6D219 K225D219-K221 PolarHBondContact O-N 3.11Å; K221-K225 WeakPolarHBondContact O-CG 3.44Å
222R85.7Confident83.8Confident65 Ų6564.6 Ų64.625%0.24530%0.303CS..Hα-helixtrans-77.5-43.6178.1-176178.2-179.8129.29.6110S218 D219 L220 L224 K225 I226 P240 T241 D264S218-R222 WeakPolarHBondContact OG-CD 3.48Å; D219-R222 WeakPolarHBondContact O-CA 3.5Å; D219-R222 WeakPolarHBondContact O-CB 3.49Å; D219-R222 PolarHBondContact O-N 3.43Å; L220-R222 PolarHBondContact O-N 2.72Å; R222-L224 PolarHBondContact O-N 3.27Å; R222-K225 PolarHBondContact O-N 3.34Å; R222-I226 HydrophobicContact CG-CD1 3.98Å; R222-I226 VanDerWaalsContact O-CG1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.45Å; R222-I226 PolarHBondContact O-N 3.21Å; R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.17Å; R222-T241 PolarHBondContact NH2-O 3.15Å; R222-D264 IonicContact CZ-OD2 2.8Å; R222-D264 IonicContact NE-OD2 3.68Å; R222-D264 PolarHBondContact NE-OD2 3.14Å; R222-D264 IonicContact NH2-OD2 2.69Å; R222-D264 PolarHBondContact NH2-OD2 3.36Å
223G84.4Confident82.1Confident0 Ų068.5 Ų68.50%032%0.319CS..Hα-helixtrans-55.7-48.1175.300000112.7D219 L220 K225 I226 Q227 E268D219-G223 PolarHBondContact O-N 3.23Å; L220-G223 PolarHBondContact O-N 3.18Å; G223-K225 VanDerWaalsContact C-N 3.34Å; G223-K225 PolarHBondContact O-N 2.96Å; G223-I226 WeakPolarHBondContact O-CA 3.21Å; G223-I226 WeakPolarHBondContact O-CB 3.29Å; G223-I226 PolarHBondContact O-N 2.89Å; G223-Q227 WeakPolarHBondContact O-CG 3.47Å; G223-Q227 PolarHBondContact O-N 3.43Å; G223-E268 VanDerWaalsContact CA-OE2 3.25Å; G223-E268 WeakPolarHBondContact CA-OE2 3.3Å
224L85.4Confident80.3Confident64 Ų6468.6 Ų68.634%0.33533%0.327SS..Hα-helixtrans-58.3-43.1177-68.5172.4000112.7L220 R222 I226 Q227 E228L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 HydrophobicContact CD1-CG 4.35Å; L220-L224 HydrophobicContact CG-CD1 4.29Å; L220-L224 WeakPolarHBondContact O-CG 3.28Å; L220-L224 PolarHBondContact O-N 3.49Å; R222-L224 PolarHBondContact O-N 3.27Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.29Å; L224-Q227 PolarHBondContact O-N 2.86Å; L224-E228 WeakPolarHBondContact O-CG 3.39Å; L224-E228 PolarHBondContact O-N 3.39Å
225K85.3Confident78.8Confident112 Ų11271.7 Ų71.749%0.48736%0.36SS..Hα-helixtrans-64.5-35.7175.1-70.2-179177-166.30112.7K221 R222 G223 A229 P240K221-K225 WeakPolarHBondContact O-CG 3.44Å; R222-K225 PolarHBondContact O-N 3.34Å; G223-K225 VanDerWaalsContact C-N 3.34Å; G223-K225 PolarHBondContact O-N 2.96Å; K225-A229 VanDerWaalsContact O-CB 3.25Å; K225-A229 WeakPolarHBondContact O-CB 3.28Å; K225-A229 PolarHBondContact O-N 3.1Å; K225-P240 HydrophobicContact CB-CG 4.41Å
226I82.2Confident77.3Confident19 Ų1976.8 Ų76.810%0.09739%0.391CS..Hα-helixtrans-66.6-44.9176.2-67.8163.1000109.8R222 G223 L224 A229 K230 P240 D264 E268R222-I226 HydrophobicContact CG-CD1 3.98Å; R222-I226 VanDerWaalsContact O-CG1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.45Å; R222-I226 PolarHBondContact O-N 3.21Å; G223-I226 WeakPolarHBondContact O-CA 3.21Å; G223-I226 WeakPolarHBondContact O-CB 3.29Å; G223-I226 PolarHBondContact O-N 2.89Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.29Å; I226-A229 CarbonylContact O-C 3.58Å; I226-A229 PolarHBondContact O-N 3.46Å; I226-K230 WeakPolarHBondContact O-CG 3.37Å; I226-K230 PolarHBondContact O-N 2.92Å; I226-P240 HydrophobicContact CG1-CG 4.02Å; I226-D264 HydrophobicContact CD1-CB 4.09Å; I226-E268 HydrophobicContact CG2-CG 4.26Å
227Q81.8Confident75.8Confident30 Ų3075.8 Ų75.814%0.1439%0.392CS..Hα-helixtrans-60.7-49.8176.2-67.6176.93.500110.9G223 L224 A229 K230 F231 E268G223-Q227 WeakPolarHBondContact O-CG 3.47Å; G223-Q227 PolarHBondContact O-N 3.43Å; L224-Q227 PolarHBondContact O-N 2.86Å; Q227-A229 VanDerWaalsContact C-N 3.26Å; Q227-A229 PolarHBondContact O-N 3.26Å; Q227-K230 WeakPolarHBondContact O-CB 3.36Å; Q227-K230 PolarHBondContact O-N 3.42Å; Q227-F231 VanDerWaalsContact O-CD2 3.24Å; Q227-F231 WeakPolarHBondContact O-CD2 3.4Å; Q227-F231 PolarHBondContact O-N 2.95Å; Q227-E268 HydrophobicContact CG-CG 4.11Å; Q227-E268 PolarHBondContact NE2-OE1 2.93Å
228E81.5Confident74.4Confident114 Ų11483.8 Ų83.853%0.53343%0.429SS..Hα-helixtrans-55-42.9174.5-72.9171.6-178.400111.6L224 K230 F231 N232L224-E228 WeakPolarHBondContact O-CG 3.39Å; L224-E228 PolarHBondContact O-N 3.39Å; E228-K230 VanDerWaalsContact C-N 3.33Å; E228-K230 PolarHBondContact O-N 3.33Å; E228-F231 PolarHBondContact O-N 3.27Å; E228-N232 VanDerWaalsContact O-CB 3.32Å; E228-N232 WeakPolarHBondContact O-CB 3.44Å; E228-N232 PolarHBondContact O-N 2.86Å; E228-N232 PolarHBondContact O-ND2 3.47Å
229A78.6Confident73.3Confident13 Ų1391.3 Ų91.311%0.10746%0.457CS..Hα-helixtrans-72.5-19.4178.100000114.6K225 I226 Q227 R239K225-A229 VanDerWaalsContact O-CB 3.25Å; K225-A229 WeakPolarHBondContact O-CB 3.28Å; K225-A229 PolarHBondContact O-N 3.1Å; I226-A229 CarbonylContact O-C 3.58Å; I226-A229 PolarHBondContact O-N 3.46Å; Q227-A229 VanDerWaalsContact C-N 3.26Å; Q227-A229 PolarHBondContact O-N 3.26Å; A229-R239 HydrophobicContact CB-CG 3.62Å
230K75.6Confident72.3Confident74 Ų7488.4 Ų88.432%0.32244%0.443SS..Hα-helixtrans-75.9-40.5172.2-76.8-173.2-176.6-175.40111.3I226 Q227 E228 S265 E272I226-K230 WeakPolarHBondContact O-CG 3.37Å; I226-K230 PolarHBondContact O-N 2.92Å; Q227-K230 WeakPolarHBondContact O-CB 3.36Å; Q227-K230 PolarHBondContact O-N 3.42Å; E228-K230 VanDerWaalsContact C-N 3.33Å; E228-K230 PolarHBondContact O-N 3.33Å; K230-S265 WeakPolarHBondContact CE-OG 3.47Å; K230-E272 IonicContact NZ-OE2 2.71Å; K230-E272 PolarHBondContact NZ-OE2 2.88Å
231F69.4Low71.5Confident145 Ų14592.4 Ų92.464%0.63647%0.469SS*.Hα-helixtrans-89-14.5-175.3-68.8-73.8000114.4Q227 E228 L233Q227-F231 VanDerWaalsContact O-CD2 3.24Å; Q227-F231 WeakPolarHBondContact O-CD2 3.4Å; Q227-F231 PolarHBondContact O-N 2.95Å; E228-F231 PolarHBondContact O-N 3.27Å; F231-L233 PolarHBondContact O-N 3.19Å; F231-L233 VanDerWaalsContact O-N 3.17Å
232N68.3Low70.8Confident74 Ų7487.9 Ų87.940%0.39646%0.457SS..  trans-78.2100.1178.1-80.1-34.4000112.5E228 E234 A237E228-N232 VanDerWaalsContact O-CB 3.32Å; E228-N232 WeakPolarHBondContact O-CB 3.44Å; E228-N232 PolarHBondContact O-N 2.86Å; E228-N232 PolarHBondContact O-ND2 3.47Å; N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 2.65Å; N232-A237 HydrophobicContact CB-CB 4.42Å; N232-A237 WeakPolarHBondContact ND2-CB 3.49Å
233L54.1Low70.4Confident180 Ų18085.4 Ų85.494%0.94245%0.45SS*.THydrogen-bonded Turntrans-70.1-19.3169.3-84.8126.3000113.6F231F231-L233 PolarHBondContact O-N 3.19Å; F231-L233 VanDerWaalsContact O-N 3.17Å
234E49.3Very low70.4Confident171 Ų17190.3 Ų90.380%0.79948%0.481SS*.THydrogen-bonded Turntrans-96.73.9-171.4-65-171.816000114.7N232 T236N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 2.65Å; E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 PolarHBondContact O-N 2.96Å
235G53.7Low70.4Confident70 Ų7092 Ų9272%0.72249%0.491SS*.SBendtrans7013.6169.600000116.6
236T54.3Low70.4Confident111 Ų11189 Ų8968%0.68148%0.482SS*.  trans-88.3-14.9-176.3460000114.7E234E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 PolarHBondContact O-N 2.96Å
237A57.5Low70.6Confident31 Ų3192.5 Ų92.526%0.25650%0.501SS..SBendtrans-93.6116.6176.400000111.8N232 R239N232-A237 HydrophobicContact CB-CB 4.42Å; N232-A237 WeakPolarHBondContact ND2-CB 3.49Å; A237-R239 PolarHBondContact O-N 2.88Å
238E59.8Low70.8Confident179 Ų17992.2 Ų92.284%0.83650%0.499SS*.PPolyproline II helixtrans-65.7117.6172.5-67.6-177.7169.600110
239R65Low70.9Confident163 Ų16390.6 Ų90.662%0.61550%0.498SS*.PPolyproline II helixtrans-58.9135.2167.2-78.7-175.6-179.7-175.80.2108.6A229 A237A229-R239 HydrophobicContact CB-CG 3.62Å; A237-R239 PolarHBondContact O-N 2.88Å
240P69.1Low71Confident31 Ų3190.6 Ų90.620%0.20150%0.496CS..PPolyproline II helixtrans-58.4151.2173.225.5-32000109.7R222 K225 I226 P242R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.17Å; K225-P240 HydrophobicContact CB-CG 4.41Å; I226-P240 HydrophobicContact CG1-CG 4.02Å; P240-P242 VanDerWaalsContact O-N 3.13Å
241T73Confident70.9Confident117 Ų11794.4 Ų94.472%0.71852%0.52SS*.PPolyproline II helixtrans-51.4121.8178.849.50000109.9R222R222-T241 PolarHBondContact NH2-O 3.15Å
242P73Confident70.8Confident82 Ų8291 Ų9153%0.53253%0.525SS..PPolyproline II helixtrans-62149.3-176.925.8-33.2000109.7P240P240-P242 VanDerWaalsContact O-N 3.13Å
243P77.8Confident71.1Confident14 Ų1494.3 Ų94.39%0.09154%0.539CS..PPolyproline II helixtrans-66.9166171.433.3-31.8000109.4F216 D245 G260 D264F216-P243 HydrophobicContact CE1-CB 3.92Å; F216-P243 HydrophobicContact CE1-CG 3.99Å; F216-P243 HydrophobicContact CZ-CB 3.72Å; F216-P243 HydrophobicContact CZ-CG 3.84Å; P243-D245 PolarHBondContact O-N 3.49Å; P243-G260 WeakPolarHBondContact CD-O 3.35Å; P243-G260 WeakPolarHBondContact CG-O 3.27Å; P243-G260 WeakPolarHBondContact O-CA 3.47Å; P243-D264 WeakPolarHBondContact CD-OD2 3.42Å
244P83.8Confident72.3Confident102 Ų10288.8 Ų88.866%0.66251%0.507SS*.PPolyproline II helixtrans-59.1140179.524.7-34.6000111.2R263P244-R263 PolarHBondContact O-NH1 2.81Å
245D85.4Confident74Confident100 Ų10084.3 Ų84.354%0.53549%0.488SS..PPolyproline II helixtrans-65.1148169.9-59.8-27.7000109.3P243 I258 K259 G260P243-D245 PolarHBondContact O-N 3.49Å; D245-I258 WeakPolarHBondContact CA-O 3.33Å; D245-K259 VanDerWaalsContact OD1-CA 3.28Å; D245-K259 WeakPolarHBondContact OD1-CA 3.43Å; D245-G260 PolarHBondContact OD1-N 3.35Å
246V85.6Confident75.4Confident48 Ų4881 Ų8129%0.29145%0.453SS..EExtended strand (participates in β ladder)trans-129.8132.1-178.5174.10000109.4T214 I258T214-V246 HydrophobicContact CG2-CG1 4.1Å; V246-I258 PolarHBondContact N-O 3.19Å; V246-I258 WeakPolarHBondContact O-CA 3.37Å; V246-I258 WeakPolarHBondContact O-CB 3.48Å; V246-I258 PolarHBondContact O-N 2.98Å
247D86.1Confident76.8Confident94 Ų9477.9 Ų77.950%0.50343%0.431SS..EExtended strand (participates in β ladder)trans-91.8125.7178-55.9-16.9000108.8I255 L256 H257D247-I255 HydrophobicContact CB-CG2 3.84Å; D247-L256 CarbonylContact C-O 3.53Å; D247-L256 WeakPolarHBondContact CA-O 3.4Å; D247-H257 VanDerWaalsContact CG-CE1 3.43Å; D247-H257 IonicContact OD1-CE1 3.74Å; D247-H257 PolarHBondContact OD1-CE1 3.42Å; D247-H257 IonicContact OD1-CG 3.48Å; D247-H257 IonicContact OD1-ND1 2.85Å; D247-H257 PolarHBondContact OD1-ND1 3.38Å; D247-H257 IonicContact OD2-CE1 3.25Å; D247-H257 IonicContact OD2-ND1 3.51Å
248Y85.3Confident78.1Confident24 Ų2476.5 Ų76.59%0.09442%0.419CS..EExtended strand (participates in β ladder)trans-112116.9179.4-179.7-88.6000109.9V206 D209 I210 L250 L256 I258V206-Y248 HydrophobicContact CG1-CE1 3.68Å; D209-Y248 WeakPolarHBondContact OD2-CE2 3.27Å; D209-Y248 PolarHBondContact OD2-OH 2.88Å; I210-Y248 HydrophobicContact CD1-CD1 4.15Å; I210-Y248 HydrophobicContact CD1-CE1 4.29Å; I210-Y248 HydrophobicContact CD1-CG 4.37Å; I210-Y248 HydrophobicContact CG1-CD1 4.04Å; I210-Y248 HydrophobicContact CG1-CD2 3.78Å; I210-Y248 HydrophobicContact CG1-CE1 4.1Å; I210-Y248 HydrophobicContact CG1-CE2 3.83Å; I210-Y248 HydrophobicContact CG1-CG 3.88Å; Y248-L250 HydrophobicContact CE1-CD1 4.45Å; Y248-L250 PolarHBondContact O-N 2.5Å; Y248-L256 HydrophobicContact CD1-CD1 4.17Å; Y248-L256 PolarHBondContact N-O 3.23Å; Y248-L256 PolarHBondContact O-N 3.34Å; Y248-I258 HydrophobicContact CG-CD1 4.48Å
249P85.1Confident79.3Confident80 Ų8071.9 Ų71.952%0.51940%0.397SS..EExtended strand (participates in β ladder)trans-75.2123177.430.2-33000110.6
250L79.3Confident80.1Confident12 Ų1264.1 Ų64.16%0.06337%0.367CS..EExtended strand (participates in β ladder)trans-102117.2174.4-173.476.9000109I199 V206 Y248 G252 E253 K254 L256I199-L250 HydrophobicContact CD1-CD2 3.4Å; V206-L250 HydrophobicContact CG1-CD1 3.87Å; V206-L250 HydrophobicContact CG2-CD1 4.21Å; Y248-L250 HydrophobicContact CE1-CD1 4.45Å; Y248-L250 PolarHBondContact O-N 2.5Å; L250-G252 PolarHBondContact O-N 3.11Å; L250-E253 PolarHBondContact O-N 2.69Å; L250-K254 WeakPolarHBondContact CA-O 2.9Å; L250-K254 HydrophobicContact CB-CB 4.12Å; L250-K254 HydrophobicContact CD2-CB 4.36Å; L250-K254 HydrophobicContact CD2-CD 4.29Å; L250-K254 PolarHBondContact N-O 3.34Å; L250-K254 PolarHBondContact O-N 2.66Å; L250-K254 VanDerWaalsContact O-N 3.15Å; L250-K254 VanDerWaalsContact O-O 3.11Å; L250-L256 HydrophobicContact CB-CD1 4.36Å; L250-L256 HydrophobicContact CB-CG 4.26Å; L250-L256 HydrophobicContact CD1-CD1 4.46Å; L250-L256 HydrophobicContact CD2-CD1 4.47Å
251D73.4Confident80.9Confident154 Ų15465 Ų6582%0.82437%0.372SS*.THydrogen-bonded Turntrans50.714177.1-59-26.1000116.6E253D251-E253 VanDerWaalsContact C-N 3.34Å; D251-E253 PolarHBondContact O-N 2.8Å
252G67.9Low81.4Confident73 Ų7359.5 Ų59.575%0.75334%0.338SS*.THydrogen-bonded Turntrans87.6-16.9176.700000115.8L250L250-G252 PolarHBondContact O-N 3.11Å
253E74.8Confident81.9Confident144 Ų14456.9 Ų56.967%0.67332%0.318SS*.THydrogen-bonded Turntrans-108.6-20.2-177.9-64.5-177.9171.300113.7L250 D251L250-E253 PolarHBondContact O-N 2.69Å; D251-E253 VanDerWaalsContact C-N 3.34Å; D251-E253 PolarHBondContact O-N 2.8Å
254K80.1Confident82.2Confident65 Ų6556.6 Ų56.628%0.28332%0.315SS..EExtended strand (participates in β ladder)trans-119.7138.3-177.2-63.8176-172.7174.10109.5V185 D186 L250V185-K254 HydrophobicContact CG1-CB 4.25Å; D186-K254 WeakPolarHBondContact O-CA 3.48Å; L250-K254 WeakPolarHBondContact CA-O 2.9Å; L250-K254 HydrophobicContact CB-CB 4.12Å; L250-K254 HydrophobicContact CD2-CB 4.36Å; L250-K254 HydrophobicContact CD2-CD 4.29Å; L250-K254 PolarHBondContact N-O 3.34Å; L250-K254 PolarHBondContact O-N 2.66Å; L250-K254 VanDerWaalsContact O-N 3.15Å; L250-K254 VanDerWaalsContact O-O 3.11Å
255I83.8Confident82.2Confident76 Ų7652.8 Ų52.839%0.3929%0.291SS..EExtended strand (participates in β ladder)trans-115.1126.9174.9-60.1175.5000108.6D186 D247D186-I255 PolarHBondContact N-O 2.8Å; D186-I255 PolarHBondContact O-N 2.89Å; D247-I255 HydrophobicContact CB-CG2 3.84Å
256L82.5Confident82.4Confident0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-96.2116.2175.4-61.6-178000109.3V185 L195 I210 D247 Y248 L250 I258V185-L256 HydrophobicContact CB-CD2 4.29Å; V185-L256 HydrophobicContact CG1-CD2 4.12Å; V185-L256 HydrophobicContact CG2-CD2 3.65Å; L195-L256 HydrophobicContact CD2-CD2 3.77Å; I210-L256 HydrophobicContact CD1-CD1 4.49Å; D247-L256 CarbonylContact C-O 3.53Å; D247-L256 WeakPolarHBondContact CA-O 3.4Å; Y248-L256 HydrophobicContact CD1-CD1 4.17Å; Y248-L256 PolarHBondContact N-O 3.23Å; Y248-L256 PolarHBondContact O-N 3.34Å; L250-L256 HydrophobicContact CB-CD1 4.36Å; L250-L256 HydrophobicContact CB-CG 4.26Å; L250-L256 HydrophobicContact CD1-CD1 4.46Å; L250-L256 HydrophobicContact CD2-CD1 4.47Å; L256-I258 PolarHBondContact O-N 3.31Å
257H84.7Confident82.5Confident46 Ų4645.8 Ų45.821%0.21325%0.252CS..EExtended strand (participates in β ladder)trans-86.9100.4174.9-68-74.7000109.9C183 T184 D186 D247C183-H257 PolarHBondContact SG-O 3.43Å; C183-H257 VanDerWaalsContact SG-O 3.4Å; T184-H257 PolarHBondContact O-N 3.02Å; D186-H257 IonicContact OD2-CD2 3.99Å; D186-H257 IonicContact OD2-NE2 3.43Å; D186-H257 PolarHBondContact OD2-NE2 3.18Å; D247-H257 VanDerWaalsContact CG-CE1 3.43Å; D247-H257 IonicContact OD1-CE1 3.74Å; D247-H257 PolarHBondContact OD1-CE1 3.42Å; D247-H257 IonicContact OD1-CG 3.48Å; D247-H257 IonicContact OD1-ND1 2.85Å; D247-H257 PolarHBondContact OD1-ND1 3.38Å; D247-H257 IonicContact OD2-CE1 3.25Å; D247-H257 IonicContact OD2-ND1 3.51Å
258I84.3Confident82.6Confident2 Ų241.4 Ų41.41%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-89.9113.1-178.3-55.3174.4000108.9L179 I210 T214 D245 V246 Y248 L256 R263L179-I258 HydrophobicContact CD2-CG1 4.26Å; I210-I258 HydrophobicContact CB-CD1 4.47Å; I210-I258 HydrophobicContact CD1-CD1 4.17Å; I210-I258 HydrophobicContact CG1-CD1 4.09Å; I210-I258 HydrophobicContact CG2-CD1 3.58Å; T214-I258 HydrophobicContact CG2-CD1 4.26Å; D245-I258 WeakPolarHBondContact CA-O 3.33Å; V246-I258 PolarHBondContact N-O 3.19Å; V246-I258 WeakPolarHBondContact O-CA 3.37Å; V246-I258 WeakPolarHBondContact O-CB 3.48Å; V246-I258 PolarHBondContact O-N 2.98Å; Y248-I258 HydrophobicContact CG-CD1 4.48Å; L256-I258 PolarHBondContact O-N 3.31Å; I258-R263 HydrophobicContact CG2-CG 4.04Å
259K84.6Confident82.7Confident83 Ų8341.8 Ų41.836%0.36123%0.232SC..  trans-65.7141.2177.2-68.7177.1-179.2156.10111.6Q182 D245 T261 I262Q182-K259 WeakPolarHBondContact O-CE 3.48Å; Q182-K259 PolarHBondContact O-NZ 3.01Å; D245-K259 VanDerWaalsContact OD1-CA 3.28Å; D245-K259 WeakPolarHBondContact OD1-CA 3.43Å; K259-T261 PolarHBondContact O-N 3.19Å; K259-I262 HydrophobicContact CB-CD1 4.21Å; K259-I262 HydrophobicContact CB-CG1 4.29Å; K259-I262 WeakPolarHBondContact O-CB 3.49Å; K259-I262 PolarHBondContact O-N 2.98Å; K259-I262 VanDerWaalsContact O-N 3.09Å
260G83.6Confident82.8Confident0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-56.1-34.7175.600000113.6P243 D245 I262 R263 D264P243-G260 WeakPolarHBondContact CD-O 3.35Å; P243-G260 WeakPolarHBondContact CG-O 3.27Å; P243-G260 WeakPolarHBondContact O-CA 3.47Å; D245-G260 PolarHBondContact OD1-N 3.35Å; G260-I262 VanDerWaalsContact C-N 3.27Å; G260-I262 PolarHBondContact O-N 2.81Å; G260-R263 PolarHBondContact O-N 2.92Å; G260-D264 PolarHBondContact O-N 2.71Å
261T84.3Confident83.3Confident48 Ų4837.4 Ų37.429%0.29420%0.204SC..Hα-helixtrans-60.3-35.2178.1-47.50000112.9K259 S265K259-T261 PolarHBondContact O-N 3.19Å; T261-S265 VanDerWaalsContact O-CB 3.28Å; T261-S265 WeakPolarHBondContact O-CB 3.36Å; T261-S265 PolarHBondContact O-N 2.98Å
262I85.1Confident83.8Confident2 Ų231.7 Ų31.71%0.0117%0.172CC..Hα-helixtrans-66.6-47.2179.4-60.6171.1000109.3L178 L179 Q182 K259 G260 D264 S265 V266L178-I262 HydrophobicContact CB-CG1 4.48Å; L178-I262 HydrophobicContact CB-CG2 3.85Å; L178-I262 HydrophobicContact CD1-CG2 4.31Å; L179-I262 HydrophobicContact CD2-CD1 4.45Å; Q182-I262 HydrophobicContact CB-CD1 3.94Å; Q182-I262 HydrophobicContact CB-CG1 4.35Å; K259-I262 HydrophobicContact CB-CD1 4.21Å; K259-I262 HydrophobicContact CB-CG1 4.29Å; K259-I262 WeakPolarHBondContact O-CB 3.49Å; K259-I262 PolarHBondContact O-N 2.98Å; K259-I262 VanDerWaalsContact O-N 3.09Å; G260-I262 VanDerWaalsContact C-N 3.27Å; G260-I262 PolarHBondContact O-N 2.81Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.49Å; I262-S265 PolarHBondContact O-N 3.43Å; I262-S265 VanDerWaalsContact O-N 3.17Å; I262-V266 HydrophobicContact CG2-CG2 3.93Å; I262-V266 WeakPolarHBondContact O-CG2 3.26Å; I262-V266 PolarHBondContact O-N 3.35Å
263R83.6Confident84.3Confident27 Ų2731 Ų3110%0.10215%0.149CC..Hα-helixtrans-58.8-38.4-177.1-61.4166.858.9-1644.7112.1T214 P244 I258 G260T214-R263 PolarHBondContact O-NE 2.98Å; T214-R263 PolarHBondContact O-NH2 3.37Å; P244-R263 PolarHBondContact O-NH1 2.81Å; I258-R263 HydrophobicContact CG2-CG 4.04Å; G260-R263 PolarHBondContact O-N 2.92Å
264D82.4Confident84.3Confident8 Ų828.6 Ų28.64%0.04314%0.141CC..Hα-helixtrans-73.6-47.2175.4-78.44.4000112.2F216 R222 I226 P243 G260 I262 V266 M267 E268F216-D264 WeakPolarHBondContact CE2-OD1 3.25Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.45Å; R222-D264 IonicContact CZ-OD2 2.8Å; R222-D264 IonicContact NE-OD2 3.68Å; R222-D264 PolarHBondContact NE-OD2 3.14Å; R222-D264 IonicContact NH2-OD2 2.69Å; R222-D264 PolarHBondContact NH2-OD2 3.36Å; I226-D264 HydrophobicContact CD1-CB 4.09Å; P243-D264 WeakPolarHBondContact CD-OD2 3.42Å; G260-D264 PolarHBondContact O-N 2.71Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.49Å; D264-V266 PolarHBondContact O-N 3.29Å; D264-M267 PolarHBondContact O-N 3.47Å; D264-E268 PolarHBondContact O-N 2.88Å
265S84.8Confident84.1Confident22 Ų2233.9 Ų33.915%0.15417%0.173CC..Hα-helixtrans-66-38.3-173.2-172.20000112.7K230 T261 I262 M267 E268K230-S265 WeakPolarHBondContact CE-OG 3.47Å; T261-S265 VanDerWaalsContact O-CB 3.28Å; T261-S265 WeakPolarHBondContact O-CB 3.36Å; T261-S265 PolarHBondContact O-N 2.98Å; I262-S265 PolarHBondContact O-N 3.43Å; I262-S265 VanDerWaalsContact O-N 3.17Å; S265-M267 VanDerWaalsContact C-N 3.34Å; S265-M267 PolarHBondContact O-N 3.03Å; S265-E268 PolarHBondContact O-N 3.01Å
266V88.6Confident83.7Confident0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-62.7-41.8-178.6175.60000111.1I171 E174 L175 L178 I262 D264 E268I171-V266 HydrophobicContact CG2-CG1 3.77Å; E174-V266 HydrophobicContact CG-CG2 4.43Å; L175-V266 HydrophobicContact CB-CG1 4.3Å; L175-V266 HydrophobicContact CB-CG2 4.31Å; L175-V266 HydrophobicContact CD1-CG1 4.27Å; L175-V266 HydrophobicContact CD1-CG2 4.17Å; L178-V266 HydrophobicContact CD1-CG2 3.54Å; I262-V266 HydrophobicContact CG2-CG2 3.93Å; I262-V266 WeakPolarHBondContact O-CG2 3.26Å; I262-V266 PolarHBondContact O-N 3.35Å; D264-V266 PolarHBondContact O-N 3.29Å; V266-E268 VanDerWaalsContact C-N 3.32Å
267M87.9Confident83.5Confident2 Ų241.5 Ų41.51%0.0121%0.207CC..Hα-helixtrans-75.8-24-178.4-64.4-61.4120.900112.4I171 C215 F216 D264 S265 M269 L270 L312I171-M267 HydrophobicContact CD1-CE 4.39Å; I171-M267 HydrophobicContact CG2-CE 3.56Å; C215-M267 HydrophobicContact CB-CE 3.53Å; C215-M267 HydrophobicContact CB-CG 4.15Å; C215-M267 HydrophobicContact CB-SD 4.12Å; F216-M267 WeakPolarHBondContact O-CG 3.5Å; D264-M267 PolarHBondContact O-N 3.47Å; S265-M267 VanDerWaalsContact C-N 3.34Å; S265-M267 PolarHBondContact O-N 3.03Å; M267-M269 VanDerWaalsContact C-N 3.26Å; M267-M269 PolarHBondContact O-N 2.92Å; M267-L270 PolarHBondContact O-N 2.82Å; M267-L312 HydrophobicContact CE-CD1 4.43Å; M267-L312 HydrophobicContact SD-CD1 3.48Å; M267-L312 WeakPolarHBondContact SD-CD1 3.45Å; M267-L312 HydrophobicContact SD-CD2 4.4Å
268E88.6Confident83.5Confident1 Ų143.1 Ų43.11%0.00521%0.213CC..Hα-helixtrans-67-28.6178.4-165.955.9-148.900112.2G223 I226 Q227 D264 S265 V266 L270 F271 E272 R318G223-E268 VanDerWaalsContact CA-OE2 3.25Å; G223-E268 WeakPolarHBondContact CA-OE2 3.3Å; I226-E268 HydrophobicContact CG2-CG 4.26Å; Q227-E268 HydrophobicContact CG-CG 4.11Å; Q227-E268 PolarHBondContact NE2-OE1 2.93Å; D264-E268 PolarHBondContact O-N 2.88Å; S265-E268 PolarHBondContact O-N 3.01Å; V266-E268 VanDerWaalsContact C-N 3.32Å; E268-L270 PolarHBondContact O-N 2.88Å; E268-L270 VanDerWaalsContact O-N 3.09Å; E268-F271 CarbonylContact O-C 3.56Å; E268-F271 PolarHBondContact O-N 3.19Å; E268-E272 WeakPolarHBondContact O-CB 3.38Å; E268-E272 PolarHBondContact O-N 3.33Å; E268-R318 IonicContact OE1-CZ 3.34Å; E268-R318 IonicContact OE1-NH1 3.68Å; E268-R318 IonicContact OE1-NH2 3.9Å; E268-R318 PolarHBondContact OE1-NH2 3.35Å; E268-R318 IonicContact OE2-CZ 3.73Å; E268-R318 IonicContact OE2-NH1 3.97Å; E268-R318 PolarHBondContact OE2-NH1 3.41Å; E268-R318 IonicContact OE2-NH2 3.56Å; E268-R318 PolarHBondContact OE2-NH2 3.09Å
269M87.1Confident83.8Confident32 Ų3243 Ų4316%0.15821%0.213CC..THydrogen-bonded Turntrans-56.9-26.4176.6179.4-90.3-72.800113.4L166 A170 I171 E174 M267 F271L166-M269 HydrophobicContact CD2-SD 3.56Å; L166-M269 VanDerWaalsContact CD2-SD 3.56Å; A170-M269 VanDerWaalsContact C-CE 3.42Å; A170-M269 HydrophobicContact CB-CE 3.7Å; A170-M269 HydrophobicContact CB-SD 4.34Å; A170-M269 WeakPolarHBondContact O-CE 3.13Å; I171-M269 HydrophobicContact CG1-CE 4.34Å; E174-M269 HydrophobicContact CB-CE 4.17Å; M267-M269 VanDerWaalsContact C-N 3.26Å; M267-M269 PolarHBondContact O-N 2.92Å; M269-F271 VanDerWaalsContact C-N 3.31Å; M269-F271 PolarHBondContact O-N 3.34Å
270L88.2Confident84.2Confident1 Ų139.1 Ų39.11%0.00520%0.196CC..THydrogen-bonded Turntrans-71.6-25.3176-64.7174.9000113.7L166 I171 M267 E268 V280 T309 F315L166-L270 HydrophobicContact CB-CD2 4.4Å; I171-L270 HydrophobicContact CD1-CD1 3.93Å; I171-L270 HydrophobicContact CD1-CD2 4.18Å; I171-L270 HydrophobicContact CD1-CG 4.36Å; I171-L270 HydrophobicContact CG1-CD2 4.21Å; I171-L270 HydrophobicContact CG1-CG 4.45Å; M267-L270 PolarHBondContact O-N 2.82Å; E268-L270 PolarHBondContact O-N 2.88Å; E268-L270 VanDerWaalsContact O-N 3.09Å; L270-V280 HydrophobicContact CB-CG2 4.41Å; L270-V280 WeakPolarHBondContact O-CG2 3.38Å; L270-V280 PolarHBondContact O-N 2.9Å; L270-T309 HydrophobicContact CD1-CG2 3.99Å; L270-F315 HydrophobicContact CD1-CE2 4.21Å
271F88.6Confident84.6Confident0 Ų039.1 Ų39.10%020%0.196CC..THydrogen-bonded Turntrans-115.2-10.2-173.6-62.3-78.6000112.9V217 E268 M269 Q273 F315 R318 L319 E322V217-F271 HydrophobicContact CG1-CE2 3.76Å; V217-F271 HydrophobicContact CG1-CZ 4.41Å; E268-F271 CarbonylContact O-C 3.56Å; E268-F271 PolarHBondContact O-N 3.19Å; M269-F271 VanDerWaalsContact C-N 3.31Å; M269-F271 PolarHBondContact O-N 3.34Å; F271-Q273 PolarHBondContact O-N 3.42Å; F271-F315 HydrophobicContact CE2-CD2 4.26Å; F271-F315 HydrophobicContact CE2-CE2 4.2Å; F271-F315 AromaticContact CZ-CD2 3.92Å; F271-F315 HydrophobicContact CZ-CD2 3.92Å; F271-F315 AromaticContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CZ 4.42Å; F271-R318 HydrophobicContact CD1-CG 4.11Å; F271-R318 HydrophobicContact CD2-CG 3.94Å; F271-R318 HydrophobicContact CE1-CG 3.89Å; F271-R318 HydrophobicContact CE2-CB 4.48Å; F271-R318 HydrophobicContact CE2-CG 3.7Å; F271-R318 HydrophobicContact CG-CG 4.13Å; F271-R318 HydrophobicContact CZ-CB 4.23Å; F271-R318 HydrophobicContact CZ-CG 3.67Å; F271-L319 HydrophobicContact CE1-CB 4.17Å; F271-L319 HydrophobicContact CE1-CD1 3.96Å; F271-E322 HydrophobicContact CD1-CB 4.49Å; F271-E322 HydrophobicContact CD1-CG 4.3Å
272E84.9Confident84.9Confident34 Ų3437 Ų3716%0.15918%0.183CC..SBendtrans-60.4130.1169.4-169.7159-164.800109.1K230 E268K230-E272 IonicContact NZ-OE2 2.71Å; K230-E272 PolarHBondContact NZ-OE2 2.88Å; E268-E272 WeakPolarHBondContact O-CB 3.38Å; E268-E272 PolarHBondContact O-N 3.33Å
273Q78.1Confident85.3Confident57 Ų5737.2 Ų37.227%0.26618%0.184SC..  trans-84116.1175.3-79.8164.849.900107.5F271F271-Q273 PolarHBondContact O-N 3.42Å
274D74.4Confident85.7Confident94 Ų9435.9 Ų35.950%0.50318%0.179SC..  trans-62174.5172.9-75.4-23.9000111.1E276 E277 K278D274-E276 PolarHBondContact O-N 3.09Å; D274-E277 WeakPolarHBondContact O-CA 3.37Å; D274-E277 PolarHBondContact O-N 2.88Å; D274-K278 PolarHBondContact N-O 3.09Å
275N75.9Confident86.2Confident177 Ų17735.5 Ų35.595%0.94718%0.177SC*.THydrogen-bonded Turntrans-55.1-19.2171.9-67.8-20000113.5
276E75.4Confident86.5Confident134 Ų13435.8 Ų35.863%0.62618%0.177SC*.THydrogen-bonded Turntrans-92.47.5174.4-59.7-170.1175.400113.7D274 K278D274-E276 PolarHBondContact O-N 3.09Å; E276-K278 HydrophobicContact CB-CD 4.11Å; E276-K278 HydrophobicContact CB-CG 4.16Å; E276-K278 PolarHBondContact O-N 2.89Å; E276-K278 VanDerWaalsContact OE2-CE 3.32Å; E276-K278 WeakPolarHBondContact OE2-CE 3.28Å; E276-K278 IonicContact OE2-NZ 2.74Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å
277E79.1Confident86.7Confident101 Ų10135.8 Ų35.847%0.47218%0.177SC..  trans57.720-173.7-56.2-172.9161.700114.8D274 T282D274-E277 WeakPolarHBondContact O-CA 3.37Å; D274-E277 PolarHBondContact O-N 2.88Å; E277-T282 WeakPolarHBondContact O-CG2 3.07Å; E277-T282 PolarHBondContact O-OG1 3.42Å
278K85.3Confident86.9Confident81 Ų8135.8 Ų35.835%0.35218%0.176SC..  trans-88.6134.5-179.3-68.8175.4-176.41670110.4L164 D274 E276L164-K278 HydrophobicContact CD1-CB 4.39Å; L164-K278 HydrophobicContact CD2-CB 4.18Å; L164-K278 HydrophobicContact CD2-CD 4.01Å; D274-K278 PolarHBondContact N-O 3.09Å; E276-K278 HydrophobicContact CB-CD 4.11Å; E276-K278 HydrophobicContact CB-CG 4.16Å; E276-K278 PolarHBondContact O-N 2.89Å; E276-K278 VanDerWaalsContact OE2-CE 3.32Å; E276-K278 WeakPolarHBondContact OE2-CE 3.28Å; E276-K278 IonicContact OE2-NZ 2.74Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å
279S90.5Very high87Confident0 Ų038.1 Ų38.10%019%0.191CC..  trans-149.4170.2172.971.10000108.2A281 T282 L283S279-A281 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact OG-N 3.43Å; S279-T282 PolarHBondContact N-OG1 3.38Å; S279-T282 PolarHBondContact O-N 3.35Å; S279-T282 PolarHBondContact OG-N 2.6Å; S279-T282 PolarHBondContact OG-OG1 2.77Å; S279-L283 PolarHBondContact O-N 2.95Å
280V91.3Very high87.3Confident1 Ų141.5 Ų41.51%0.00620%0.204CC..Hα-helixtrans-58.1-35.2174.8176.40000111.5M139 T146 L166 L270 L283 F315 L319M139-V280 HydrophobicContact CE-CG1 3.96Å; M139-V280 HydrophobicContact SD-CG1 3.54Å; M139-V280 VanDerWaalsContact SD-CG1 3.54Å; T146-V280 HydrophobicContact CG2-CG1 4.25Å; L166-V280 HydrophobicContact CB-CG2 4.42Å; L166-V280 HydrophobicContact CD1-CG2 4.42Å; L270-V280 HydrophobicContact CB-CG2 4.41Å; L270-V280 WeakPolarHBondContact O-CG2 3.38Å; L270-V280 PolarHBondContact O-N 2.9Å; V280-L283 WeakPolarHBondContact O-CB 3.34Å; V280-F315 HydrophobicContact CG1-CZ 4.34Å; V280-L319 HydrophobicContact CG1-CD1 4.07Å
281A91.9Very high87.5Confident0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-73.1-40.8177.100000112.5S279 L283 V284 L319 E322 I323 L326S279-A281 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact OG-N 3.43Å; A281-L283 PolarHBondContact O-N 3.3Å; A281-V284 PolarHBondContact O-N 3.03Å; A281-L319 HydrophobicContact CB-CD1 4.03Å; A281-E322 HydrophobicContact CB-CB 3.77Å; A281-E322 HydrophobicContact CB-CG 3.59Å; A281-I323 HydrophobicContact CB-CG1 4.21Å; A281-L326 HydrophobicContact CB-CD1 3.7Å
282T91.7Very high87.6Confident3 Ų344.7 Ų44.72%0.01823%0.226CC..Hα-helixtrans-60.9-36.8176.2-44.10000110.9E277 S279 V284 L285 D286 Y332E277-T282 WeakPolarHBondContact O-CG2 3.07Å; E277-T282 PolarHBondContact O-OG1 3.42Å; S279-T282 PolarHBondContact N-OG1 3.38Å; S279-T282 PolarHBondContact O-N 3.35Å; S279-T282 PolarHBondContact OG-N 2.6Å; S279-T282 PolarHBondContact OG-OG1 2.77Å; T282-V284 VanDerWaalsContact C-N 3.29Å; T282-V284 PolarHBondContact O-N 3.13Å; T282-L285 PolarHBondContact O-N 2.83Å; T282-D286 WeakPolarHBondContact CG2-OD2 3.25Å; T282-D286 PolarHBondContact O-N 2.74Å; T282-Y332 WeakPolarHBondContact CG2-OH 3.06Å
283L92.8Very high87.8Confident6 Ų649.3 Ų49.33%0.03125%0.25CC..Hα-helixtrans-56.7-41.6-178.7-161.164.7000113.3T146 V148 E162 L164 S279 V280 A281 L285 T287T146-L283 HydrophobicContact CG2-CD2 4.03Å; V148-L283 HydrophobicContact CB-CD2 4.36Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.21Å; V148-L283 HydrophobicContact CG2-CD2 3.57Å; V148-L283 HydrophobicContact CG2-CG 3.69Å; E162-L283 HydrophobicContact CB-CD1 3.26Å; E162-L283 HydrophobicContact CB-CG 3.9Å; E162-L283 HydrophobicContact CG-CD1 4.18Å; L164-L283 HydrophobicContact CB-CD2 4.46Å; L164-L283 HydrophobicContact CD1-CB 4.22Å; L164-L283 HydrophobicContact CD1-CD1 3.9Å; L164-L283 HydrophobicContact CD1-CD2 4.15Å; L164-L283 HydrophobicContact CD1-CG 4.34Å; L164-L283 HydrophobicContact CD2-CD1 4.44Å; L164-L283 HydrophobicContact CG-CD1 3.7Å; L164-L283 HydrophobicContact CG-CD2 4.08Å; L164-L283 HydrophobicContact CG-CG 4.44Å; S279-L283 PolarHBondContact O-N 2.95Å; V280-L283 WeakPolarHBondContact O-CB 3.34Å; A281-L283 PolarHBondContact O-N 3.3Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.23Å; L283-T287 PolarHBondContact O-OG1 2.81Å
284V92.9Very high88.3Confident0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-63-42.7177.1177.90000110.5L137 M139 V148 A281 T282 L288 L303 I323L137-V284 HydrophobicContact CD2-CG1 3.56Å; M139-V284 HydrophobicContact SD-CG2 3.72Å; V148-V284 HydrophobicContact CG2-CG2 4.34Å; A281-V284 PolarHBondContact O-N 3.03Å; T282-V284 VanDerWaalsContact C-N 3.29Å; T282-V284 PolarHBondContact O-N 3.13Å; V284-L288 WeakPolarHBondContact O-CG 3.25Å; V284-L288 PolarHBondContact O-N 3.39Å; V284-L288 VanDerWaalsContact O-N 3.16Å; V284-L303 HydrophobicContact CG1-CD1 3.99Å; V284-I323 HydrophobicContact CB-CD1 4.38Å; V284-I323 HydrophobicContact CG1-CD1 4.16Å; V284-I323 HydrophobicContact CG2-CD1 4.44Å
285L91.6Very high89.1Confident0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-73.3-42.6-178.8-63.8176.2000112.3T282 L283 T287 L288 V289 I323 L326 V327 Y332 L336 F341T282-L285 PolarHBondContact O-N 2.83Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L285-T287 VanDerWaalsContact C-N 3.3Å; L285-T287 PolarHBondContact O-N 2.73Å; L285-L288 WeakPolarHBondContact O-CB 3.48Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-L288 VanDerWaalsContact O-N 3.14Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 3.16Å; L285-I323 HydrophobicContact CD2-CG2 4.23Å; L285-L326 HydrophobicContact CD1-CB 3.35Å; L285-L326 HydrophobicContact CD1-CD1 4.15Å; L285-L326 HydrophobicContact CD1-CG 4.4Å; L285-V327 HydrophobicContact CD1-CG2 4.26Å; L285-V327 HydrophobicContact CD2-CG2 3.64Å; L285-Y332 HydrophobicContact CB-CD1 3.75Å; L285-Y332 HydrophobicContact CB-CE1 3.56Å; L285-Y332 HydrophobicContact CB-CG 4.38Å; L285-Y332 HydrophobicContact CD1-CD1 4.31Å; L285-Y332 HydrophobicContact CD1-CD2 4.04Å; L285-Y332 HydrophobicContact CD1-CE1 4.48Å; L285-Y332 HydrophobicContact CD1-CE2 4.22Å; L285-Y332 HydrophobicContact CD1-CG 4.1Å; L285-L336 HydrophobicContact CD2-CD1 3.7Å; L285-F341 HydrophobicContact CD2-CE1 4.14Å; L285-F341 HydrophobicContact CD2-CZ 3.81Å
286D92.1Very high89.8Confident28 Ų2843.5 Ų43.515%0.1522%0.217CC..Hα-helixtrans-62.2-41177.6-71-19.1000111E162 T282 L288 V289 K290 K331 Y332E162-D286 HydrophobicContact CG-CB 4.49Å; T282-D286 WeakPolarHBondContact CG2-OD2 3.25Å; T282-D286 PolarHBondContact O-N 2.74Å; D286-L288 PolarHBondContact O-N 2.9Å; D286-V289 PolarHBondContact O-N 2.97Å; D286-K290 PolarHBondContact O-N 2.72Å; D286-K331 IonicContact OD1-NZ 3.34Å; D286-Y332 WeakPolarHBondContact OD1-CE1 3.44Å; D286-Y332 PolarHBondContact OD1-OH 3.49Å
287T92.8Very high90.5Very high0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-58.6-45.5172.3-61.40000111.8L137 V148 P150 A160 E162 L283 L285 V289 K290 C291L137-T287 HydrophobicContact CD1-CG2 3.64Å; V148-T287 HydrophobicContact CG1-CG2 3.77Å; V148-T287 WeakPolarHBondContact CG1-OG1 3.48Å; P150-T287 HydrophobicContact CB-CG2 4.35Å; P150-T287 HydrophobicContact CG-CG2 3.64Å; A160-T287 WeakPolarHBondContact O-CG2 3.42Å; E162-T287 WeakPolarHBondContact CG-OG1 3.4Å; L283-T287 WeakPolarHBondContact O-CB 3.32Å; L283-T287 PolarHBondContact O-N 3.23Å; L283-T287 PolarHBondContact O-OG1 2.81Å; L285-T287 VanDerWaalsContact C-N 3.3Å; L285-T287 PolarHBondContact O-N 2.73Å; T287-V289 VanDerWaalsContact C-N 3.33Å; T287-V289 PolarHBondContact O-N 3.45Å; T287-K290 PolarHBondContact O-N 3.41Å; T287-C291 PolarHBondContact O-N 3.41Å; T287-C291 VanDerWaalsContact O-N 3.16Å; T287-C291 PolarHBondContact O-SG 3.03Å
288L91.9Very high91.1Very high1 Ų139.4 Ų39.41%0.00520%0.202CC..Hα-helixtrans-64.5-36.2177.3-76.3170.4000112.7L137 V284 L285 D286 C291 R296 L299 L336 F341L137-L288 HydrophobicContact CD2-CD1 4.08Å; L137-L288 HydrophobicContact CD2-CD2 3.94Å; L137-L288 HydrophobicContact CD2-CG 3.74Å; V284-L288 WeakPolarHBondContact O-CG 3.25Å; V284-L288 PolarHBondContact O-N 3.39Å; V284-L288 VanDerWaalsContact O-N 3.16Å; L285-L288 WeakPolarHBondContact O-CB 3.48Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-L288 VanDerWaalsContact O-N 3.14Å; D286-L288 PolarHBondContact O-N 2.9Å; L288-C291 WeakPolarHBondContact O-CB 3.49Å; L288-C291 PolarHBondContact O-N 3.04Å; L288-R296 WeakPolarHBondContact O-CD 3.43Å; L288-R296 WeakPolarHBondContact O-CG 3.49Å; L288-R296 PolarHBondContact O-NE 3.17Å; L288-R296 VanDerWaalsContact O-NE 3.16Å; L288-L299 HydrophobicContact CD2-CB 3.62Å; L288-L299 HydrophobicContact CD2-CD1 4.42Å; L288-L336 HydrophobicContact CB-CD2 4.04Å; L288-F341 HydrophobicContact CD1-CE1 3.69Å; L288-F341 HydrophobicContact CD1-CZ 4.3Å
289V91.7Very high91.4Very high51 Ų5135.6 Ų35.631%0.30919%0.185SC..Hα-helixtrans-67.2-38.2176.5172.90000111.1L285 D286 T287 C291 R296 Y332 A335 L336L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 3.16Å; D286-V289 PolarHBondContact O-N 2.97Å; T287-V289 VanDerWaalsContact C-N 3.33Å; T287-V289 PolarHBondContact O-N 3.45Å; V289-C291 PolarHBondContact O-N 3.4Å; V289-R296 PolarHBondContact O-NH2 3.02Å; V289-Y332 HydrophobicContact CG2-CD1 4Å; V289-Y332 HydrophobicContact CG2-CE1 4.25Å; V289-A335 HydrophobicContact CG1-CB 4.44Å; V289-A335 HydrophobicContact CG2-CB 4.01Å; V289-L336 HydrophobicContact CG2-CD2 4.31Å; V289-L336 HydrophobicContact CG2-CG 4.42Å
290K92.2Very high91.3Very high102 Ų10235.8 Ų35.844%0.44319%0.186SC..Hα-helixtrans-66.2-25.5173.7-72.9-178175.2178.10113.3A160 E162 D286 T287A160-K290 HydrophobicContact CB-CB 3.73Å; E162-K290 HydrophobicContact CG-CD 4.37Å; E162-K290 WeakPolarHBondContact OE1-CE 3.41Å; E162-K290 IonicContact OE1-NZ 3.54Å; E162-K290 PolarHBondContact OE1-NZ 2.92Å; E162-K290 IonicContact OE2-NZ 2.66Å; E162-K290 PolarHBondContact OE2-NZ 3.48Å; D286-K290 PolarHBondContact O-N 2.72Å; T287-K290 PolarHBondContact O-N 3.41Å
291C91.7Very high91.3Very high1 Ų137.8 Ų37.81%0.00720%0.196CC..SBendtrans-69.5149.2178.3-68.10000112.2P150 T287 L288 V289 R296 L299P150-C291 WeakPolarHBondContact CG-SG 3.4Å; T287-C291 PolarHBondContact O-N 3.41Å; T287-C291 VanDerWaalsContact O-N 3.16Å; T287-C291 PolarHBondContact O-SG 3.03Å; L288-C291 WeakPolarHBondContact O-CB 3.49Å; L288-C291 PolarHBondContact O-N 3.04Å; V289-C291 PolarHBondContact O-N 3.4Å; C291-R296 HydrophobicContact CB-CG 4.28Å; C291-R296 PolarHBondContact O-NE 2.81Å; C291-R296 PolarHBondContact O-NH2 3Å; C291-L299 HydrophobicContact CB-CD1 4.03Å
292P91.3Very high91.4Very high68 Ų6839.2 Ų39.244%0.44220%0.203SC..  trans-64.8147.2174.427-32.7000111.2D294 T295 R296P292-D294 VanDerWaalsContact C-N 3.28Å; P292-D294 PolarHBondContact O-N 3.45Å; P292-D294 VanDerWaalsContact O-N 3.15Å; P292-T295 WeakPolarHBondContact CD-OG1 3.18Å; P292-T295 HydrophobicContact CG-CG2 3.78Å; P292-T295 WeakPolarHBondContact CG-OG1 3.43Å; P292-T295 PolarHBondContact O-N 2.99Å; P292-T295 PolarHBondContact O-OG1 2.94Å; P292-R296 PolarHBondContact O-N 3.19Å
293I88.7Confident91.4Very high130 Ų13039.1 Ų39.167%0.66720%0.203SC*.Hα-helixtrans-52.4-43.4-167.8-60.6171.4000112.3T295 R296I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 2.79Å; I293-R296 PolarHBondContact O-N 2.79Å
294D90.3Very high91.5Very high145 Ų14538.9 Ų38.978%0.77520%0.201SC*.Hα-helixtrans-64.8-31.4-176.3-58.8-32.8000113.2P292P292-D294 VanDerWaalsContact C-N 3.28Å; P292-D294 PolarHBondContact O-N 3.45Å; P292-D294 VanDerWaalsContact O-N 3.15Å
295T90.9Very high91.5Very high11 Ų1139.2 Ų39.27%0.06720%0.203CC..Hα-helixtrans-82-23.8-177.464.90000112.8Y152 I157 P292 I293 K297 A298 L299Y152-T295 HydrophobicContact CD1-CG2 4.01Å; Y152-T295 HydrophobicContact CD2-CG2 3.71Å; Y152-T295 HydrophobicContact CE1-CG2 4.21Å; Y152-T295 HydrophobicContact CE2-CG2 3.93Å; Y152-T295 HydrophobicContact CG-CG2 3.76Å; I157-T295 HydrophobicContact CD1-CG2 4.39Å; P292-T295 WeakPolarHBondContact CD-OG1 3.18Å; P292-T295 HydrophobicContact CG-CG2 3.78Å; P292-T295 WeakPolarHBondContact CG-OG1 3.43Å; P292-T295 PolarHBondContact O-N 2.99Å; P292-T295 PolarHBondContact O-OG1 2.94Å; I293-T295 VanDerWaalsContact C-N 3.28Å; I293-T295 PolarHBondContact O-N 2.79Å; T295-K297 VanDerWaalsContact C-N 3.32Å; T295-K297 PolarHBondContact O-N 3.26Å; T295-A298 PolarHBondContact O-N 3.02Å; T295-L299 VanDerWaalsContact O-CG 3.28Å; T295-L299 WeakPolarHBondContact O-CG 3.28Å; T295-L299 PolarHBondContact O-N 3.36Å
296R90.4Very high91.6Very high50 Ų5039.3 Ų39.319%0.18920%0.203CC..Hα-helixtrans-58.7-40.9-170-64.8-176.5-175.1166.63112.9L288 V289 C291 P292 I293 L299 S300 A335L288-R296 WeakPolarHBondContact O-CD 3.43Å; L288-R296 WeakPolarHBondContact O-CG 3.49Å; L288-R296 PolarHBondContact O-NE 3.17Å; L288-R296 VanDerWaalsContact O-NE 3.16Å; V289-R296 PolarHBondContact O-NH2 3.02Å; C291-R296 HydrophobicContact CB-CG 4.28Å; C291-R296 PolarHBondContact O-NE 2.81Å; C291-R296 PolarHBondContact O-NH2 3Å; P292-R296 PolarHBondContact O-N 3.19Å; I293-R296 PolarHBondContact O-N 2.79Å; R296-L299 PolarHBondContact O-N 3.15Å; R296-S300 WeakPolarHBondContact O-CB 3.45Å; R296-S300 PolarHBondContact O-N 2.9Å; R296-S300 PolarHBondContact O-OG 3.49Å; R296-A335 PolarHBondContact NH1-O 2.94Å
297K89.7Confident91.5Very high120 Ų12038.2 Ų38.252%0.52220%0.199SC..Hα-helixtrans-62-53.3-179.8-177.1179.9176.2-175.70111.1T295 L299 S300 E301 T338T295-K297 VanDerWaalsContact C-N 3.32Å; T295-K297 PolarHBondContact O-N 3.26Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.39Å; K297-S300 PolarHBondContact O-N 3.25Å; K297-S300 PolarHBondContact O-OG 3.24Å; K297-E301 WeakPolarHBondContact CE-OE1 3.45Å; K297-E301 WeakPolarHBondContact O-CB 3.47Å; K297-E301 PolarHBondContact O-N 3.31Å; K297-T338 HydrophobicContact CG-CG2 4.24Å
298A90.9Very high91.3Very high30 Ų3039.9 Ų39.925%0.24822%0.216CC..Hα-helixtrans-60.6-40.8-179.900000112Y152 T295 N302Y152-A298 HydrophobicContact CE2-CB 4.13Å; T295-A298 PolarHBondContact O-N 3.02Å; A298-N302 WeakPolarHBondContact O-CB 3.41Å; A298-N302 PolarHBondContact O-N 2.76Å
299L91.5Very high91.2Very high0 Ų040.4 Ų40.40%022%0.219CC..Hα-helixtrans-67.2-41.2177.7-66.7172.3000112.4G136 L137 P150 V151 L288 C291 T295 R296 K297 N302G136-L299 VanDerWaalsContact C-CD2 3.48Å; G136-L299 WeakPolarHBondContact O-CD2 3.4Å; L137-L299 HydrophobicContact CB-CB 4.35Å; P150-L299 HydrophobicContact CB-CD1 3.73Å; P150-L299 HydrophobicContact CB-CD2 4.01Å; V151-L299 VanDerWaalsContact O-CD2 3.29Å; V151-L299 WeakPolarHBondContact O-CD2 3.45Å; L288-L299 HydrophobicContact CD2-CB 3.62Å; L288-L299 HydrophobicContact CD2-CD1 4.42Å; C291-L299 HydrophobicContact CB-CD1 4.03Å; T295-L299 VanDerWaalsContact O-CG 3.28Å; T295-L299 WeakPolarHBondContact O-CG 3.28Å; T295-L299 PolarHBondContact O-N 3.36Å; R296-L299 PolarHBondContact O-N 3.15Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.39Å; L299-N302 CarbonylContact O-C 3.6Å; L299-N302 PolarHBondContact O-N 3.12Å
300S89.9Confident91.2Very high5 Ų538.2 Ų38.24%0.03521%0.207CC..Hα-helixtrans-68.2-35.4178.467.10000113R296 K297 N302 T338 S340 F341 R342R296-S300 WeakPolarHBondContact O-CB 3.45Å; R296-S300 PolarHBondContact O-N 2.9Å; R296-S300 PolarHBondContact O-OG 3.49Å; K297-S300 PolarHBondContact O-N 3.25Å; K297-S300 PolarHBondContact O-OG 3.24Å; S300-N302 VanDerWaalsContact C-N 3.26Å; S300-N302 PolarHBondContact O-N 3.16Å; S300-T338 WeakPolarHBondContact OG-CG2 3.36Å; S300-S340 CarbonylContact C-O 3.55Å; S300-F341 WeakPolarHBondContact O-CA 3.34Å; S300-R342 PolarHBondContact O-N 3.1Å
301E91.2Very high91.1Very high43 Ų4337.9 Ų37.920%0.20121%0.208CC..Hα-helixtrans-71.6-22.3177.8-82-174.2-153.900113K297 R342 H344K297-E301 WeakPolarHBondContact CE-OE1 3.45Å; K297-E301 WeakPolarHBondContact O-CB 3.47Å; K297-E301 PolarHBondContact O-N 3.31Å; E301-R342 VanDerWaalsContact O-CB 3.3Å; E301-R342 WeakPolarHBondContact O-CB 3.05Å; E301-R342 PolarHBondContact O-NE 3.34Å; E301-R342 IonicContact OE2-CZ 2.72Å; E301-R342 IonicContact OE2-NH1 3.48Å; E301-R342 IonicContact OE2-NH2 3.48Å; E301-R342 PolarHBondContact OE2-NH2 3.15Å; E301-H344 PolarHBondContact O-NE2 3.26Å
302N92.7Very high91Very high30 Ų3038.8 Ų38.816%0.1621%0.213CC..SBendtrans-124.171.8-174.5-63.6-21.3000110.3I133 S135 G136 L137 A298 L299 S300 H344I133-N302 HydrophobicContact CD1-CB 4.25Å; S135-N302 WeakPolarHBondContact O-CB 3.31Å; S135-N302 PolarHBondContact O-ND2 3.17Å; G136-N302 CarbonylContact C-O 3.56Å; G136-N302 WeakPolarHBondContact CA-O 3.38Å; L137-N302 PolarHBondContact N-O 3.15Å; A298-N302 WeakPolarHBondContact O-CB 3.41Å; A298-N302 PolarHBondContact O-N 2.76Å; L299-N302 CarbonylContact O-C 3.6Å; L299-N302 PolarHBondContact O-N 3.12Å; S300-N302 VanDerWaalsContact C-N 3.26Å; S300-N302 PolarHBondContact O-N 3.16Å; N302-H344 PolarHBondContact OD1-NE2 3.16Å
303L93.3Very high91Very high1 Ų139.2 Ų39.21%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-89.1125.2175.2-17564.7000110.3L137 V284 I305 I323 R342 L343 H344L137-L303 HydrophobicContact CB-CD1 4.03Å; L137-L303 HydrophobicContact CD2-CD1 3.96Å; L137-L303 HydrophobicContact CG-CD1 3.96Å; V284-L303 HydrophobicContact CG1-CD1 3.99Å; L303-I305 HydrophobicContact CD2-CD1 4.47Å; L303-I305 HydrophobicContact CG-CG1 4.35Å; L303-I323 HydrophobicContact CD2-CD1 4.05Å; L303-R342 WeakPolarHBondContact CB-O 3.48Å; L303-R342 PolarHBondContact N-O 3.01Å; L303-L343 HydrophobicContact CD2-CD1 4.07Å; L303-L343 HydrophobicContact CD2-CG 4.21Å; L303-L343 WeakPolarHBondContact O-CA 3.32Å; L303-H344 PolarHBondContact O-N 3.31Å
304V93.8Very high91Very high0 Ų034.9 Ų34.90%020%0.203CC..EExtended strand (participates in β ladder)trans-118.2129.7178.9-174.30000108.6L131 I133 L137 V138 M139 I306L131-V304 HydrophobicContact CD1-CB 4.21Å; L131-V304 HydrophobicContact CD1-CG1 3.71Å; L131-V304 HydrophobicContact CD1-CG2 3.39Å; I133-V304 HydrophobicContact CD1-CG2 4.01Å; L137-V304 PolarHBondContact O-N 3.22Å; V138-V304 CarbonylContact C-O 3.57Å; V138-V304 WeakPolarHBondContact CA-O 3.4Å; V138-V304 HydrophobicContact CG2-CB 4.26Å; M139-V304 PolarHBondContact N-O 3.21Å; V304-I306 HydrophobicContact CG1-CG2 4.07Å
305I93.9Very high91.1Very high7 Ų728 Ų284%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-119.1122.3-178.2-56.6171.5000108.2M139 L303 A310 F315 L316 L319 L343M139-I305 HydrophobicContact CE-CD1 4.24Å; M139-I305 HydrophobicContact CE-CG1 4.1Å; M139-I305 HydrophobicContact CE-CG2 3.7Å; L303-I305 HydrophobicContact CD2-CD1 4.47Å; L303-I305 HydrophobicContact CG-CG1 4.35Å; I305-A310 HydrophobicContact CG2-CB 3.57Å; I305-F315 HydrophobicContact CG2-CE1 4.22Å; I305-L316 HydrophobicContact CB-CD2 4.18Å; I305-L316 HydrophobicContact CD1-CD2 3.66Å; I305-L316 HydrophobicContact CG2-CD2 4.18Å; I305-L319 HydrophobicContact CD1-CD2 3.33Å; I305-L319 HydrophobicContact CG1-CD2 4.3Å; I305-L343 HydrophobicContact CD1-CD2 3.43Å; I305-L343 VanDerWaalsContact CD1-CD2 3.43Å; I305-L343 HydrophobicContact CD1-CG 4.08Å
306I92.9Very high91.2Very high2 Ų230.9 Ų30.91%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-126.4173.9-179.869.5178.7000110.4S127 V138 M139 D140 C141 V304 T353S127-I306 WeakPolarHBondContact OG-CD1 3.37Å; V138-I306 HydrophobicContact CG1-CD1 3.67Å; V138-I306 HydrophobicContact CG1-CG1 4.01Å; V138-I306 HydrophobicContact CG1-CG2 4.48Å; M139-I306 PolarHBondContact O-N 3.01Å; D140-I306 HydrophobicContact CB-CD1 3.82Å; D140-I306 HydrophobicContact CB-CG1 3.62Å; C141-I306 PolarHBondContact N-O 3.46Å; V304-I306 HydrophobicContact CG1-CG2 4.07Å; I306-T353 HydrophobicContact CG2-CG2 3.86Å
307G89.9Confident91.2Very high6 Ų634.2 Ų34.26%0.06220%0.198CC..SBendtrans104.3169.9175.900000113.8D140 C141 P350 N351D140-G307 WeakPolarHBondContact OD1-CA 3.31Å; C141-G307 CarbonylContact O-C 3.47Å; C141-G307 WeakPolarHBondContact O-CA 3.44Å; G307-P350 PolarHBondContact N-O 3.06Å; G307-N351 PolarHBondContact O-N 3.43Å
308G88.7Confident91.4Very high35 Ų3528.5 Ų28.536%0.36117%0.173SC..SBendtrans-72.8-40.6-175.900000112.8C141 A310 M311C141-G308 PolarHBondContact O-N 2.93Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.38Å; G308-M311 WeakPolarHBondContact O-CB 3.33Å; G308-M311 PolarHBondContact O-N 3.43Å; G308-M311 VanDerWaalsContact O-N 3.15Å
309T90.6Very high91.5Very high11 Ų1127.1 Ų27.17%0.06716%0.162CC..G310 helixtrans-68.2-29.7-177.2-50.50000111.7C141 G142 I171 L270 M311 L312C141-T309 PolarHBondContact O-N 2.9Å; C141-T309 PolarHBondContact O-OG1 3.37Å; G142-T309 PolarHBondContact O-OG1 3.39Å; I171-T309 HydrophobicContact CD1-CG2 3.63Å; L270-T309 HydrophobicContact CD1-CG2 3.99Å; T309-M311 PolarHBondContact O-N 2.89Å; T309-M311 VanDerWaalsContact O-N 3.14Å; T309-L312 HydrophobicContact CG2-CD1 3.9Å; T309-L312 WeakPolarHBondContact O-CB 3.46Å; T309-L312 WeakPolarHBondContact O-CD1 3.44Å; T309-L312 VanDerWaalsContact O-CG 3.28Å; T309-L312 WeakPolarHBondContact O-CG 3.2Å; T309-L312 PolarHBondContact O-N 3.29Å
310A90.1Very high91.5Very high5 Ų528.5 Ų28.54%0.04117%0.169CC..G310 helixtrans-66.6-11.3175.800000114.1I305 G308 L312 F315 P350I305-A310 HydrophobicContact CG2-CB 3.57Å; G308-A310 VanDerWaalsContact C-N 3.27Å; G308-A310 PolarHBondContact O-N 3.38Å; A310-L312 PolarHBondContact O-N 3.1Å; A310-F315 HydrophobicContact CB-CD1 4.11Å; A310-F315 HydrophobicContact CB-CE1 4.09Å; A310-P350 HydrophobicContact CB-CB 4.36Å
311M90.6Very high91.6Very high96 Ų9629.2 Ų29.247%0.47318%0.175SC..G310 helixtrans-77.2-8.5175.5-66.2-173.458.900113.6G308 T309 K349 P350 N351G308-M311 WeakPolarHBondContact O-CB 3.33Å; G308-M311 PolarHBondContact O-N 3.43Å; G308-M311 VanDerWaalsContact O-N 3.15Å; T309-M311 PolarHBondContact O-N 2.89Å; T309-M311 VanDerWaalsContact O-N 3.14Å; M311-K349 HydrophobicContact CE-CB 4.45Å; M311-P350 HydrophobicContact CG-CB 4.33Å; M311-P350 HydrophobicContact CG-CG 4.4Å; M311-N351 HydrophobicContact CG-CB 4.33Å; M311-N351 HydrophobicContact SD-CB 3.39Å; M311-N351 WeakPolarHBondContact SD-CB 3.36Å
312L90.5Very high91.6Very high20 Ų2027.2 Ų27.211%0.10517%0.166CC..SBendtrans-61.6139.1178.8-70.5166.2000111.4V217 M267 T309 A310 G314 F315V217-L312 HydrophobicContact CG2-CB 3.94Å; V217-L312 HydrophobicContact CG2-CD1 4.43Å; M267-L312 HydrophobicContact CE-CD1 4.43Å; M267-L312 HydrophobicContact SD-CD1 3.48Å; M267-L312 WeakPolarHBondContact SD-CD1 3.45Å; M267-L312 HydrophobicContact SD-CD2 4.4Å; T309-L312 HydrophobicContact CG2-CD1 3.9Å; T309-L312 WeakPolarHBondContact O-CB 3.46Å; T309-L312 WeakPolarHBondContact O-CD1 3.44Å; T309-L312 VanDerWaalsContact O-CG 3.28Å; T309-L312 WeakPolarHBondContact O-CG 3.2Å; T309-L312 PolarHBondContact O-N 3.29Å; A310-L312 PolarHBondContact O-N 3.1Å; L312-G314 PolarHBondContact O-N 2.79Å; L312-F315 HydrophobicContact CB-CB 4.28Å; L312-F315 WeakPolarHBondContact O-CB 3.45Å; L312-F315 PolarHBondContact O-N 3.29Å
313P90.3Very high91.5Very high76 Ų7625.8 Ų25.849%0.49416%0.158SC..THydrogen-bonded Turntrans-65.9131.2-179.427.5-32.9000110.2F216 V217 F315F216-P313 HydrophobicContact CB-CG 3.92Å; V217-P313 PolarHBondContact N-O 3.39Å; P313-F315 VanDerWaalsContact C-N 3.33Å
314G89.3Confident91.4Very high40 Ų4032.6 Ų32.641%0.41218%0.184SC..THydrogen-bonded Turntrans86.4-8.5-179.500000115.4L312 L316 H317 R318L312-G314 PolarHBondContact O-N 2.79Å; G314-L316 PolarHBondContact O-N 3.23Å; G314-H317 PolarHBondContact O-N 2.8Å; G314-R318 PolarHBondContact O-N 2.68Å; G314-R318 VanDerWaalsContact O-N 3.1Å
315F92.4Very high91.2Very high1 Ų136.3 Ų36.30%0.00420%0.203CC..Hα-helixtrans-57.7-48.2-174.9-176.2-95.9000113.4M139 V217 L270 F271 V280 I305 A310 L312 P313 H317 R318 L319M139-F315 HydrophobicContact CE-CE1 3.94Å; M139-F315 HydrophobicContact CE-CZ 4.16Å; V217-F315 HydrophobicContact CG2-CB 3.96Å; V217-F315 HydrophobicContact CG2-CD2 4.14Å; L270-F315 HydrophobicContact CD1-CE2 4.21Å; F271-F315 HydrophobicContact CE2-CD2 4.26Å; F271-F315 HydrophobicContact CE2-CE2 4.2Å; F271-F315 AromaticContact CZ-CD2 3.92Å; F271-F315 HydrophobicContact CZ-CD2 3.92Å; F271-F315 AromaticContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CE2 3.71Å; F271-F315 HydrophobicContact CZ-CZ 4.42Å; V280-F315 HydrophobicContact CG1-CZ 4.34Å; I305-F315 HydrophobicContact CG2-CE1 4.22Å; A310-F315 HydrophobicContact CB-CD1 4.11Å; A310-F315 HydrophobicContact CB-CE1 4.09Å; L312-F315 HydrophobicContact CB-CB 4.28Å; L312-F315 WeakPolarHBondContact O-CB 3.45Å; L312-F315 PolarHBondContact O-N 3.29Å; P313-F315 VanDerWaalsContact C-N 3.33Å; F315-H317 PolarHBondContact O-N 2.88Å; F315-R318 PolarHBondContact O-N 2.98Å; F315-L319 HydrophobicContact CE1-CD2 4.37Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 2.62Å
316L92Very high91Very high71 Ų7136 Ų3637%0.37220%0.202SC..Hα-helixtrans-63.4-40.3-177.3-57.9178000112.6I305 G314 L320 L343I305-L316 HydrophobicContact CB-CD2 4.18Å; I305-L316 HydrophobicContact CD1-CD2 3.66Å; I305-L316 HydrophobicContact CG2-CD2 4.18Å; G314-L316 PolarHBondContact O-N 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.47Å; L316-L320 PolarHBondContact O-N 3.02Å; L316-L320 VanDerWaalsContact O-N 3.09Å; L316-L343 HydrophobicContact CB-CD2 4.19Å; L316-L343 HydrophobicContact CD2-CD2 4.16Å
317H92Very high90.8Very high119 Ų11936.1 Ų36.155%0.55120%0.203SC*.Hα-helixtrans-67.8-45.6179.3-179.1-105.6000110.9D219 G314 F315 L320 A321D219-H317 IonicContact OD1-CE1 2.88Å; D219-H317 IonicContact OD1-ND1 3.69Å; D219-H317 PolarHBondContact OD1-ND1 3.01Å; G314-H317 PolarHBondContact O-N 2.8Å; F315-H317 PolarHBondContact O-N 2.88Å; H317-L320 PolarHBondContact O-N 2.92Å; H317-A321 WeakPolarHBondContact O-CB 3.15Å; H317-A321 PolarHBondContact O-N 3.3Å
318R92.3Very high90.7Very high1 Ų140.5 Ų40.50%0.00423%0.225CC..Hα-helixtrans-60.1-49.9176.8175.856.8-178.2-79-0.4111.3V217 S218 E268 F271 G314 F315 L320 A321 E322V217-R318 HydrophobicContact CG1-CB 3.54Å; V217-R318 HydrophobicContact CG1-CG 3.71Å; S218-R318 VanDerWaalsContact O-CD 3.31Å; S218-R318 WeakPolarHBondContact O-CD 3.36Å; S218-R318 PolarHBondContact O-NH1 3.28Å; E268-R318 IonicContact OE1-CZ 3.34Å; E268-R318 IonicContact OE1-NH1 3.68Å; E268-R318 IonicContact OE1-NH2 3.9Å; E268-R318 PolarHBondContact OE1-NH2 3.35Å; E268-R318 IonicContact OE2-CZ 3.73Å; E268-R318 IonicContact OE2-NH1 3.97Å; E268-R318 PolarHBondContact OE2-NH1 3.41Å; E268-R318 IonicContact OE2-NH2 3.56Å; E268-R318 PolarHBondContact OE2-NH2 3.09Å; F271-R318 HydrophobicContact CD1-CG 4.11Å; F271-R318 HydrophobicContact CD2-CG 3.94Å; F271-R318 HydrophobicContact CE1-CG 3.89Å; F271-R318 HydrophobicContact CE2-CB 4.48Å; F271-R318 HydrophobicContact CE2-CG 3.7Å; F271-R318 HydrophobicContact CG-CG 4.13Å; F271-R318 HydrophobicContact CZ-CB 4.23Å; F271-R318 HydrophobicContact CZ-CG 3.67Å; G314-R318 PolarHBondContact O-N 2.68Å; G314-R318 VanDerWaalsContact O-N 3.1Å; F315-R318 PolarHBondContact O-N 2.98Å; R318-L320 VanDerWaalsContact C-N 3.35Å; R318-L320 PolarHBondContact O-N 3.28Å; R318-A321 PolarHBondContact O-N 3.27Å; R318-E322 IonicContact CZ-OE2 2.86Å; R318-E322 IonicContact NE-OE2 3.76Å; R318-E322 PolarHBondContact NE-OE2 3.32Å; R318-E322 IonicContact NH2-OE2 2.84Å; R318-E322 PolarHBondContact NH2-OE2 3.45Å; R318-E322 WeakPolarHBondContact O-CB 3.49Å; R318-E322 PolarHBondContact O-N 3.31Å
319L92.8Very high90.6Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-58.4-45.9179.7-177.275.7000111.9M139 F271 V280 A281 I305 F315 A321 E322 I323M139-L319 HydrophobicContact CE-CD1 4.27Å; M139-L319 HydrophobicContact CE-CD2 3.34Å; M139-L319 HydrophobicContact CE-CG 4.43Å; M139-L319 HydrophobicContact SD-CD2 4.34Å; F271-L319 HydrophobicContact CE1-CB 4.17Å; F271-L319 HydrophobicContact CE1-CD1 3.96Å; V280-L319 HydrophobicContact CG1-CD1 4.07Å; A281-L319 HydrophobicContact CB-CD1 4.03Å; I305-L319 HydrophobicContact CD1-CD2 3.33Å; I305-L319 HydrophobicContact CG1-CD2 4.3Å; F315-L319 HydrophobicContact CE1-CD2 4.37Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 2.62Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 3.25Å; L319-E322 PolarHBondContact O-N 3.28Å; L319-I323 HydrophobicContact CD1-CD1 4.33Å; L319-I323 HydrophobicContact CD2-CD1 4.33Å; L319-I323 HydrophobicContact CG-CD1 3.88Å; L319-I323 HydrophobicContact CG-CG1 4.46Å; L319-I323 WeakPolarHBondContact O-CB 3.49Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 2.83Å
320L92.2Very high90.2Very high29 Ų2945.8 Ų45.815%0.15225%0.246CC..Hα-helixtrans-65.5-37.7179.6-178.659.4000112.2L316 H317 R318 R324 F341 L343L316-L320 WeakPolarHBondContact O-CB 3.47Å; L316-L320 PolarHBondContact O-N 3.02Å; L316-L320 VanDerWaalsContact O-N 3.09Å; H317-L320 PolarHBondContact O-N 2.92Å; R318-L320 VanDerWaalsContact C-N 3.35Å; R318-L320 PolarHBondContact O-N 3.28Å; L320-R324 WeakPolarHBondContact O-CD 3.25Å; L320-R324 VanDerWaalsContact O-CG 3.25Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.85Å; L320-R324 VanDerWaalsContact O-N 3.12Å; L320-F341 HydrophobicContact CD1-CB 4.05Å; L320-L343 HydrophobicContact CB-CD1 4.2Å; L320-L343 HydrophobicContact CD1-CD1 3.66Å; L320-L343 HydrophobicContact CD2-CD1 4.06Å; L320-L343 HydrophobicContact CG-CD1 4.17Å
321A92.1Very high90Very high21 Ų2150.8 Ų50.817%0.17427%0.267CS..Hα-helixtrans-65.2-42.2174.700000111.7L220 H317 R318 L319 R324 L325L220-A321 HydrophobicContact CB-CB 4.09Å; L220-A321 HydrophobicContact CD2-CB 4.11Å; H317-A321 WeakPolarHBondContact O-CB 3.15Å; H317-A321 PolarHBondContact O-N 3.3Å; R318-A321 PolarHBondContact O-N 3.27Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 3.25Å; A321-R324 PolarHBondContact O-N 2.99Å; A321-L325 PolarHBondContact O-N 3.02Å
322E91.2Very high89.7Confident1 Ų146.5 Ų46.51%0.00525%0.245CC..Hα-helixtrans-64.5-46.1177.7-154.172.2-128.300111.5L220 F271 A281 R318 L319 R324 L325 L326L220-E322 VanDerWaalsContact CD1-CD 3.49Å; L220-E322 WeakPolarHBondContact CD1-OE1 3.43Å; L220-E322 WeakPolarHBondContact CD1-OE2 3.34Å; F271-E322 HydrophobicContact CD1-CB 4.49Å; F271-E322 HydrophobicContact CD1-CG 4.3Å; A281-E322 HydrophobicContact CB-CB 3.77Å; A281-E322 HydrophobicContact CB-CG 3.59Å; R318-E322 IonicContact CZ-OE2 2.86Å; R318-E322 IonicContact NE-OE2 3.76Å; R318-E322 PolarHBondContact NE-OE2 3.32Å; R318-E322 IonicContact NH2-OE2 2.84Å; R318-E322 PolarHBondContact NH2-OE2 3.45Å; R318-E322 WeakPolarHBondContact O-CB 3.49Å; R318-E322 PolarHBondContact O-N 3.31Å; L319-E322 PolarHBondContact O-N 3.28Å; E322-R324 VanDerWaalsContact C-N 3.31Å; E322-R324 PolarHBondContact O-N 3.17Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.2Å; E322-L326 HydrophobicContact CG-CD1 4.38Å; E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 3.09Å
323I91.4Very high89.3Confident0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-57.5-45.6175.7-71.6169.6000110.4A281 V284 L285 L303 L319 L325 L326 V327 F341A281-I323 HydrophobicContact CB-CG1 4.21Å; V284-I323 HydrophobicContact CB-CD1 4.38Å; V284-I323 HydrophobicContact CG1-CD1 4.16Å; V284-I323 HydrophobicContact CG2-CD1 4.44Å; L285-I323 HydrophobicContact CD2-CG2 4.23Å; L303-I323 HydrophobicContact CD2-CD1 4.05Å; L319-I323 HydrophobicContact CD1-CD1 4.33Å; L319-I323 HydrophobicContact CD2-CD1 4.33Å; L319-I323 HydrophobicContact CG-CD1 3.88Å; L319-I323 HydrophobicContact CG-CG1 4.46Å; L319-I323 WeakPolarHBondContact O-CB 3.49Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.24Å; L319-I323 PolarHBondContact O-N 2.83Å; I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 PolarHBondContact O-N 2.75Å; I323-L326 PolarHBondContact O-N 3.44Å; I323-V327 HydrophobicContact CG2-CG2 4.15Å; I323-V327 WeakPolarHBondContact O-CB 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.45Å; I323-F341 HydrophobicContact CG2-CD1 3.82Å; I323-F341 HydrophobicContact CG2-CD2 4Å; I323-F341 HydrophobicContact CG2-CE1 3.85Å; I323-F341 HydrophobicContact CG2-CE2 4.07Å; I323-F341 HydrophobicContact CG2-CG 3.88Å; I323-F341 HydrophobicContact CG2-CZ 3.98Å
324R90.4Very high88.9Confident143 Ų14355 Ų5554%0.5428%0.276SS..Hα-helixtrans-61.8-40.9178.6-74.1168.9179.5168.8-0112.3L320 A321 E322L320-R324 WeakPolarHBondContact O-CD 3.25Å; L320-R324 VanDerWaalsContact O-CG 3.25Å; L320-R324 WeakPolarHBondContact O-CG 3.45Å; L320-R324 PolarHBondContact O-N 2.85Å; L320-R324 VanDerWaalsContact O-N 3.12Å; A321-R324 PolarHBondContact O-N 2.99Å; E322-R324 VanDerWaalsContact C-N 3.31Å; E322-R324 PolarHBondContact O-N 3.17Å
325L89.9Confident88.5Confident78 Ų7854.6 Ų54.641%0.40827%0.269SS..Hα-helixtrans-64-45.4175.8-177.170.2000111.4L220 A321 E322 I323 V327 D328L220-L325 HydrophobicContact CD1-CD2 4.05Å; L220-L325 HydrophobicContact CD2-CB 4.37Å; L220-L325 HydrophobicContact CD2-CD2 4.27Å; A321-L325 PolarHBondContact O-N 3.02Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.2Å; I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 PolarHBondContact O-N 2.75Å; L325-V327 PolarHBondContact O-N 2.87Å; L325-D328 PolarHBondContact O-N 3.35Å
326L88.8Confident87.8Confident1 Ų155.2 Ų55.21%0.00527%0.272CS..Hα-helixtrans-68.8-32.6-178-70.4174.7000112.9A281 L285 E322 I323 D328 K329 Y332A281-L326 HydrophobicContact CB-CD1 3.7Å; L285-L326 HydrophobicContact CD1-CB 3.35Å; L285-L326 HydrophobicContact CD1-CD1 4.15Å; L285-L326 HydrophobicContact CD1-CG 4.4Å; E322-L326 HydrophobicContact CG-CD1 4.38Å; E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 3.09Å; I323-L326 PolarHBondContact O-N 3.44Å; L326-D328 PolarHBondContact O-N 2.93Å; L326-K329 HydrophobicContact CD2-CD 3.86Å; L326-K329 VanDerWaalsContact O-CB 3.29Å; L326-K329 WeakPolarHBondContact O-CB 3.04Å; L326-K329 PolarHBondContact O-N 3.01Å; L326-Y332 VanDerWaalsContact O-CD2 3.32Å; L326-Y332 WeakPolarHBondContact O-CD2 3.37Å
327V89.1Confident86.5Confident5 Ų557 Ų573%0.0330%0.297CS..Hα-helixtrans-62.6-30177.3168.90000112.2L285 I323 L325 K329 K339 F341L285-V327 HydrophobicContact CD1-CG2 4.26Å; L285-V327 HydrophobicContact CD2-CG2 3.64Å; I323-V327 HydrophobicContact CG2-CG2 4.15Å; I323-V327 WeakPolarHBondContact O-CB 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.45Å; L325-V327 PolarHBondContact O-N 2.87Å; V327-K329 VanDerWaalsContact C-N 3.3Å; V327-K339 HydrophobicContact CG1-CG 4.32Å; V327-F341 HydrophobicContact CB-CE2 4.42Å; V327-F341 HydrophobicContact CG1-CE2 4.35Å; V327-F341 HydrophobicContact CG2-CD2 4.36Å; V327-F341 HydrophobicContact CG2-CE2 3.37Å; V327-F341 HydrophobicContact CG2-CZ 3.6Å
328D87.3Confident85.4Confident97 Ų9752.9 Ų52.952%0.51928%0.28SS..THydrogen-bonded Turntrans-79.9-10.5177.4-72.2-30.8000113L325 L326 K339L325-D328 PolarHBondContact O-N 3.35Å; L326-D328 PolarHBondContact O-N 2.93Å; D328-K339 IonicContact OD1-NZ 2.7Å; D328-K339 PolarHBondContact OD1-NZ 3.39Å
329K86.5Confident84.3Confident67 Ų6759.2 Ų59.229%0.29131%0.307SS..SBendtrans-64.4143.4171.7-71.1-172.7172.7-176.10110.3L326 V327 K331 Y332 R333L326-K329 HydrophobicContact CD2-CD 3.86Å; L326-K329 VanDerWaalsContact O-CB 3.29Å; L326-K329 WeakPolarHBondContact O-CB 3.04Å; L326-K329 PolarHBondContact O-N 3.01Å; V327-K329 VanDerWaalsContact C-N 3.3Å; K329-K331 VanDerWaalsContact C-N 3.26Å; K329-K331 PolarHBondContact O-N 3.32Å; K329-Y332 HydrophobicContact CB-CD2 4.39Å; K329-Y332 PolarHBondContact O-N 3.42Å; K329-R333 WeakPolarHBondContact O-CB 3.48Å; K329-R333 PolarHBondContact O-N 3.45Å
330P83.3Confident83.6Confident90 Ų9061.6 Ų61.658%0.58432%0.324SS*.Hα-helixtrans-57.9-37.3-173.923-33.9000113.1Y332 R333 D334P330-Y332 VanDerWaalsContact C-N 3.27Å; P330-Y332 PolarHBondContact O-N 3.01Å; P330-R333 PolarHBondContact O-N 3.04Å; P330-D334 PolarHBondContact O-N 3Å
331K84.7Confident83.4Confident111 Ų11161 Ų6148%0.48332%0.321SS..Hα-helixtrans-52.3-42.4176.6-176.6-175.3175.9-164.90112.9D286 K329D286-K331 IonicContact OD1-NZ 3.34Å; K329-K331 VanDerWaalsContact C-N 3.26Å; K329-K331 PolarHBondContact O-N 3.32Å
332Y85Confident83.2Confident5 Ų565.9 Ų65.92%0.0233%0.334CS..Hα-helixtrans-95.2-31.8-176.2-63.8-67.5000112.4T282 L285 D286 V289 L326 K329 P330 D334 A335 L336T282-Y332 WeakPolarHBondContact CG2-OH 3.06Å; L285-Y332 HydrophobicContact CB-CD1 3.75Å; L285-Y332 HydrophobicContact CB-CE1 3.56Å; L285-Y332 HydrophobicContact CB-CG 4.38Å; L285-Y332 HydrophobicContact CD1-CD1 4.31Å; L285-Y332 HydrophobicContact CD1-CD2 4.04Å; L285-Y332 HydrophobicContact CD1-CE1 4.48Å; L285-Y332 HydrophobicContact CD1-CE2 4.22Å; L285-Y332 HydrophobicContact CD1-CG 4.1Å; D286-Y332 WeakPolarHBondContact OD1-CE1 3.44Å; D286-Y332 PolarHBondContact OD1-OH 3.49Å; V289-Y332 HydrophobicContact CG2-CD1 4Å; V289-Y332 HydrophobicContact CG2-CE1 4.25Å; L326-Y332 VanDerWaalsContact O-CD2 3.32Å; L326-Y332 WeakPolarHBondContact O-CD2 3.37Å; K329-Y332 HydrophobicContact CB-CD2 4.39Å; K329-Y332 PolarHBondContact O-N 3.42Å; P330-Y332 VanDerWaalsContact C-N 3.27Å; P330-Y332 PolarHBondContact O-N 3.01Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 2.86Å; Y332-A335 PolarHBondContact O-N 3.02Å; Y332-L336 HydrophobicContact CD1-CD1 4.41Å; Y332-L336 VanDerWaalsContact O-CB 3.3Å; Y332-L336 WeakPolarHBondContact O-CB 3.48Å; Y332-L336 PolarHBondContact O-N 3.19Å
333R83.1Confident83.2Confident148 Ų14868.1 Ų68.156%0.55835%0.346SS*.Hα-helixtrans-58.6-40.8179.4-167.6-172.875.8175.83.4112.7K329 P330 A335K329-R333 WeakPolarHBondContact O-CB 3.48Å; K329-R333 PolarHBondContact O-N 3.45Å; P330-R333 PolarHBondContact O-N 3.04Å; R333-A335 VanDerWaalsContact C-N 3.35Å
334D81.5Confident83Confident128 Ų12871.1 Ų71.168%0.68436%0.36SS*.THydrogen-bonded Turntrans-78.7-24-177.3-61-15.4000111.7P330 Y332P330-D334 PolarHBondContact O-N 3Å; Y332-D334 VanDerWaalsContact C-N 3.29Å; Y332-D334 PolarHBondContact O-N 2.86Å
335A80.1Confident82.8Confident31 Ų3168.8 Ų68.826%0.25637%0.366SS..THydrogen-bonded Turntrans-92.8-30.2-179.800000113.9V289 R296 Y332 R333V289-A335 HydrophobicContact CG1-CB 4.44Å; V289-A335 HydrophobicContact CG2-CB 4.01Å; R296-A335 PolarHBondContact NH1-O 2.94Å; Y332-A335 PolarHBondContact O-N 3.02Å; R333-A335 VanDerWaalsContact C-N 3.35Å
336L77.3Confident82.6Confident14 Ų1466.1 Ų66.17%0.07335%0.353CS..  trans-109.7101.2-175.3-60.9176.2000110L285 L288 V289 Y332 T338L285-L336 HydrophobicContact CD2-CD1 3.7Å; L288-L336 HydrophobicContact CB-CD2 4.04Å; V289-L336 HydrophobicContact CG2-CD2 4.31Å; V289-L336 HydrophobicContact CG2-CG 4.42Å; Y332-L336 HydrophobicContact CD1-CD1 4.41Å; Y332-L336 VanDerWaalsContact O-CB 3.3Å; Y332-L336 WeakPolarHBondContact O-CB 3.48Å; Y332-L336 PolarHBondContact O-N 3.19Å; L336-T338 PolarHBondContact O-N 3.27Å
337A65.6Low82.4Confident108 Ų10870.9 Ų70.989%0.89338%0.384SS*.  trans-70.6-16.4174.900000113.4
338T68.6Low82.4Confident33 Ų3371.8 Ų71.820%0.20239%0.392CS..  trans-108.4129.8-174.4-56.20000111K297 S300 L336 S340K297-T338 HydrophobicContact CG-CG2 4.24Å; S300-T338 WeakPolarHBondContact OG-CG2 3.36Å; L336-T338 PolarHBondContact O-N 3.27Å; T338-S340 VanDerWaalsContact CG2-OG 3.25Å; T338-S340 WeakPolarHBondContact CG2-OG 3.49Å
339K69Low82.5Confident133 Ų13374 Ų7458%0.57840%0.397SS*.  trans-105.3-1.4178.5-63.5-165.4173.8-1500114.3V327 D328 F341V327-K339 HydrophobicContact CG1-CG 4.32Å; D328-K339 IonicContact OD1-NZ 2.7Å; D328-K339 PolarHBondContact OD1-NZ 3.39Å; K339-F341 PolarHBondContact O-N 3.06Å
340S79.4Confident82.7Confident50 Ų5072.2 Ų72.235%0.3539%0.392SS..  trans-88.999.1-176.255.20000111.5S300 T338S300-S340 CarbonylContact C-O 3.55Å; T338-S340 VanDerWaalsContact CG2-OG 3.25Å; T338-S340 WeakPolarHBondContact CG2-OG 3.49Å
341F86.1Confident83.1Confident18 Ų1870 Ų708%0.07938%0.375CS..  trans-99.2116.9169.8-64.7-91.5000109.6L285 L288 S300 L320 I323 V327 K339L285-F341 HydrophobicContact CD2-CE1 4.14Å; L285-F341 HydrophobicContact CD2-CZ 3.81Å; L288-F341 HydrophobicContact CD1-CE1 3.69Å; L288-F341 HydrophobicContact CD1-CZ 4.3Å; S300-F341 WeakPolarHBondContact O-CA 3.34Å; L320-F341 HydrophobicContact CD1-CB 4.05Å; I323-F341 HydrophobicContact CG2-CD1 3.82Å; I323-F341 HydrophobicContact CG2-CD2 4Å; I323-F341 HydrophobicContact CG2-CE1 3.85Å; I323-F341 HydrophobicContact CG2-CE2 4.07Å; I323-F341 HydrophobicContact CG2-CG 3.88Å; I323-F341 HydrophobicContact CG2-CZ 3.98Å; V327-F341 HydrophobicContact CB-CE2 4.42Å; V327-F341 HydrophobicContact CG1-CE2 4.35Å; V327-F341 HydrophobicContact CG2-CD2 4.36Å; V327-F341 HydrophobicContact CG2-CE2 3.37Å; V327-F341 HydrophobicContact CG2-CZ 3.6Å; K339-F341 PolarHBondContact O-N 3.06Å
342R89.3Confident83.4Confident123 Ų12365.4 Ų65.446%0.46436%0.357SS..  trans-117.3129.8172.5-46.8-177.6-71.7-137.4-3.7109.8S300 E301 L303S300-R342 PolarHBondContact O-N 3.1Å; E301-R342 VanDerWaalsContact O-CB 3.3Å; E301-R342 WeakPolarHBondContact O-CB 3.05Å; E301-R342 PolarHBondContact O-NE 3.34Å; E301-R342 IonicContact OE2-CZ 2.72Å; E301-R342 IonicContact OE2-NH1 3.48Å; E301-R342 IonicContact OE2-NH2 3.48Å; E301-R342 PolarHBondContact OE2-NH2 3.15Å; L303-R342 WeakPolarHBondContact CB-O 3.48Å; L303-R342 PolarHBondContact N-O 3.01Å
343L89.9Confident83.8Confident48 Ų4865.2 Ų65.225%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-90125.6174.1-80.775.6000109L303 I305 L316 L320L303-L343 HydrophobicContact CD2-CD1 4.07Å; L303-L343 HydrophobicContact CD2-CG 4.21Å; L303-L343 WeakPolarHBondContact O-CA 3.32Å; I305-L343 HydrophobicContact CD1-CD2 3.43Å; I305-L343 VanDerWaalsContact CD1-CD2 3.43Å; I305-L343 HydrophobicContact CD1-CG 4.08Å; L316-L343 HydrophobicContact CB-CD2 4.19Å; L316-L343 HydrophobicContact CD2-CD2 4.16Å; L320-L343 HydrophobicContact CB-CD1 4.2Å; L320-L343 HydrophobicContact CD1-CD1 3.66Å; L320-L343 HydrophobicContact CD2-CD1 4.06Å; L320-L343 HydrophobicContact CG-CD1 4.17Å
344H88.1Confident84.2Confident62 Ų6258.4 Ų58.429%0.28733%0.332SS..EExtended strand (participates in β ladder)trans-92.9122.9169.2-69.9-92.3000109.1L131 E301 N302 L303L131-H344 HydrophobicContact CD1-CB 4.02Å; L131-H344 HydrophobicContact CD2-CB 4.41Å; E301-H344 PolarHBondContact O-NE2 3.26Å; N302-H344 PolarHBondContact OD1-NE2 3.16Å; L303-H344 PolarHBondContact O-N 3.31Å
345S85.8Confident84.8Confident95 Ų9552.3 Ų52.366%0.66430%0.299SS*.PPolyproline II helixtrans-83.2124.1173.5-62.20000109.7
346P85.8Confident85.5Confident22 Ų2251.7 Ų51.714%0.14329%0.292CS..PPolyproline II helixtrans-67.4156.7175.227.3-32.3000111.8L131 A348 T353L131-P346 HydrophobicContact CD2-CB 4.43Å; P346-A348 VanDerWaalsContact C-N 3.29Å; P346-A348 PolarHBondContact O-N 2.87Å; P346-T353 HydrophobicContact CB-CG2 3.51Å; P346-T353 WeakPolarHBondContact CB-OG1 3.49Å; P346-T353 HydrophobicContact CG-CG2 4.01Å; P346-T353 VanDerWaalsContact CG-OG1 3.27Å; P346-T353 WeakPolarHBondContact CG-OG1 3.44Å
347P85.6Confident86.1Confident101 Ų10151 Ų5166%0.65629%0.288SS*.SBendtrans-68.1-29.5178.326.4-34000112.7L356P347-L356 HydrophobicContact CG-CD2 3.8Å
348A88.2Confident87.3Confident23 Ų2345.9 Ų45.919%0.1925%0.246CC..SBendtrans-93.2170.3173.400000111.8P346 C352 L356P346-A348 VanDerWaalsContact C-N 3.29Å; P346-A348 PolarHBondContact O-N 2.87Å; A348-C352 HydrophobicContact CB-CB 4.46Å; A348-L356 HydrophobicContact CB-CB 4.34Å; A348-L356 HydrophobicContact CB-CD2 3.72Å
349K90.5Very high88.4Confident144 Ų14444.3 Ų44.363%0.62624%0.236SC*.  trans-58145.3168.7-63.3-63.6-175.6179.60110M311 N351 C352 T353M311-K349 HydrophobicContact CE-CB 4.45Å; K349-N351 PolarHBondContact O-N 3.37Å; K349-N351 VanDerWaalsContact O-N 3.11Å; K349-C352 PolarHBondContact O-N 2.93Å; K349-T353 PolarHBondContact O-N 2.99Å; K349-T353 PolarHBondContact O-OG1 3.45Å
350P89.9Confident89.5Confident29 Ų2941 Ų4119%0.18822%0.224CC..G310 helixtrans-51.4-39.3-177.8-3035.4000114.1G307 A310 M311 C352 T353G307-P350 PolarHBondContact N-O 3.06Å; A310-P350 HydrophobicContact CB-CB 4.36Å; M311-P350 HydrophobicContact CG-CB 4.33Å; M311-P350 HydrophobicContact CG-CG 4.4Å; P350-C352 VanDerWaalsContact C-N 3.33Å; P350-C352 PolarHBondContact O-N 3.27Å; P350-T353 PolarHBondContact O-N 3.18Å; P350-T353 PolarHBondContact O-OG1 3.45Å
351N90.9Very high89.9Confident43 Ų4339.6 Ų39.623%0.2321%0.212CC..G310 helixtrans-63.3-34.1176.7-174.325.4000113K26 G307 M311 K349K26-N351 VanDerWaalsContact CE-CG 3.5Å; K26-N351 WeakPolarHBondContact CE-O 3.48Å; K26-N351 WeakPolarHBondContact CE-OD1 2.86Å; K26-N351 PolarHBondContact NZ-OD1 3.37Å; G307-N351 PolarHBondContact O-N 3.43Å; M311-N351 HydrophobicContact CG-CB 4.33Å; M311-N351 HydrophobicContact SD-CB 3.39Å; M311-N351 WeakPolarHBondContact SD-CB 3.36Å; K349-N351 PolarHBondContact O-N 3.37Å; K349-N351 VanDerWaalsContact O-N 3.11Å
352C91.8Very high89.8Confident16 Ų1639 Ų3911%0.10821%0.211CC..G310 helixtrans-96.43.2-176.8-62.30000113.7P35 A348 K349 P350 W355 L356P35-C352 HydrophobicContact CG-CB 4.46Å; A348-C352 HydrophobicContact CB-CB 4.46Å; K349-C352 PolarHBondContact O-N 2.93Å; P350-C352 VanDerWaalsContact C-N 3.33Å; P350-C352 PolarHBondContact O-N 3.27Å; C352-W355 PolarHBondContact O-N 3.14Å; C352-L356 PolarHBondContact O-N 3.44Å
353T92.4Very high89.6Confident0 Ų035.5 Ų35.50%021%0.208CC..Hα-helixtrans-68.3-42.2-171.7-61.60000111.9S130 I306 P346 K349 P350 W355 L356 G357S130-T353 WeakPolarHBondContact OG-CG2 3.05Å; I306-T353 HydrophobicContact CG2-CG2 3.86Å; P346-T353 HydrophobicContact CB-CG2 3.51Å; P346-T353 WeakPolarHBondContact CB-OG1 3.49Å; P346-T353 HydrophobicContact CG-CG2 4.01Å; P346-T353 VanDerWaalsContact CG-OG1 3.27Å; P346-T353 WeakPolarHBondContact CG-OG1 3.44Å; K349-T353 PolarHBondContact O-N 2.99Å; K349-T353 PolarHBondContact O-OG1 3.45Å; P350-T353 PolarHBondContact O-N 3.18Å; P350-T353 PolarHBondContact O-OG1 3.45Å; T353-W355 VanDerWaalsContact C-N 3.35Å; T353-W355 PolarHBondContact O-N 3.21Å; T353-L356 PolarHBondContact O-N 2.93Å; T353-G357 PolarHBondContact O-N 3.29Å
354A92.4Very high89.2Confident6 Ų636.9 Ų36.95%0.0522%0.215CC..Hα-helixtrans-60.2-45.5174.300000111.5I92 S123 M126 S127 G357 G358I92-A354 WeakPolarHBondContact CD1-O 3.44Å; I92-A354 HydrophobicContact CG2-CB 4.31Å; S123-A354 VanDerWaalsContact OG-CB 3.26Å; S123-A354 WeakPolarHBondContact OG-CB 3.41Å; M126-A354 WeakPolarHBondContact CB-O 3.42Å; S127-A354 WeakPolarHBondContact OG-CA 3.4Å; A354-G357 PolarHBondContact O-N 3.03Å; A354-G358 PolarHBondContact O-N 2.99Å
355W94.8Very high87.9Confident0 Ų039.5 Ų39.50%023%0.228CC..Hα-helixtrans-59.4-46.8175.8-172.191.2000112.8V17 D19 K26 E32 G34 P35 I92 C352 T353 G357 G358 A359V17-W355 HydrophobicContact CB-CZ2 4.21Å; V17-W355 HydrophobicContact CG1-CG 4.48Å; V17-W355 PolarHBondContact O-NE1 3Å; V17-W355 VanDerWaalsContact O-NE1 3.16Å; D19-W355 HydrophobicContact CB-CB 4.29Å; K26-W355 HydrophobicContact CB-CB 4.46Å; K26-W355 HydrophobicContact CB-CG 4.17Å; K26-W355 HydrophobicContact CD-CB 4.24Å; E32-W355 HydrophobicContact CB-CH2 4.18Å; G34-W355 VanDerWaalsContact C-CH2 3.4Å; G34-W355 VanDerWaalsContact CA-CZ3 3.46Å; G34-W355 VanDerWaalsContact O-CH2 3.22Å; G34-W355 WeakPolarHBondContact O-CH2 3.32Å; G34-W355 VanDerWaalsContact O-CZ3 3.31Å; G34-W355 WeakPolarHBondContact O-CZ3 3.4Å; P35-W355 HydrophobicContact CB-CD2 3.72Å; P35-W355 HydrophobicContact CB-CE3 4.04Å; P35-W355 HydrophobicContact CB-CG 4.17Å; P35-W355 HydrophobicContact CB-CH2 4.45Å; P35-W355 HydrophobicContact CB-CZ2 4.16Å; P35-W355 HydrophobicContact CB-CZ3 4.42Å; P35-W355 HydrophobicContact CG-CD2 4.27Å; P35-W355 HydrophobicContact CG-CE3 4.29Å; I92-W355 HydrophobicContact CD1-CB 4.42Å; C352-W355 PolarHBondContact O-N 3.14Å; T353-W355 VanDerWaalsContact C-N 3.35Å; T353-W355 PolarHBondContact O-N 3.21Å; W355-G357 VanDerWaalsContact C-N 3.3Å; W355-G357 PolarHBondContact O-N 3.36Å; W355-G358 CarbonylContact O-C 3.51Å; W355-G358 PolarHBondContact O-N 2.86Å; W355-G358 VanDerWaalsContact O-N 3.13Å; W355-A359 HydrophobicContact CE3-CB 4.16Å; W355-A359 HydrophobicContact CH2-CB 3.82Å; W355-A359 HydrophobicContact CZ2-CB 4.41Å; W355-A359 HydrophobicContact CZ3-CB 3.65Å; W355-A359 PolarHBondContact O-N 3.06Å
356L93.4Very high86.8Confident18 Ų1841.8 Ų41.89%0.09423%0.232CC..Hα-helixtrans-61-41.6177.8176.462.7000111.4P347 A348 C352 T353 G358 A359 I360P347-L356 HydrophobicContact CG-CD2 3.8Å; A348-L356 HydrophobicContact CB-CB 4.34Å; A348-L356 HydrophobicContact CB-CD2 3.72Å; C352-L356 PolarHBondContact O-N 3.44Å; T353-L356 PolarHBondContact O-N 2.93Å; L356-G358 VanDerWaalsContact C-N 3.31Å; L356-G358 PolarHBondContact O-N 3.39Å; L356-A359 WeakPolarHBondContact O-CB 3.28Å; L356-A359 PolarHBondContact O-N 3.16Å; L356-A359 VanDerWaalsContact O-N 3.12Å; L356-I360 HydrophobicContact CD1-CD1 4.36Å; L356-I360 HydrophobicContact CD1-CG1 4.45Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CG1 3.29Å; L356-I360 PolarHBondContact O-N 2.98Å
357G91.7Very high85.8Confident0 Ų042.6 Ų42.60%024%0.235CC..Hα-helixtrans-55.2-45.8173.100000112.9M126 T353 A354 W355 I360 F361M126-G357 WeakPolarHBondContact O-CA 3.25Å; T353-G357 PolarHBondContact O-N 3.29Å; A354-G357 PolarHBondContact O-N 3.03Å; W355-G357 VanDerWaalsContact C-N 3.3Å; W355-G357 PolarHBondContact O-N 3.36Å; G357-I360 PolarHBondContact O-N 2.98Å; G357-F361 VanDerWaalsContact O-CB 3.28Å; G357-F361 WeakPolarHBondContact O-CB 3.48Å; G357-F361 PolarHBondContact O-N 3.27Å
358G90.7Very high84.7Confident0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-67.8-34174.500000113.5L90 A354 W355 L356 I360 F361 G362L90-G358 WeakPolarHBondContact CD2-O 3.49Å; A354-G358 PolarHBondContact O-N 2.99Å; W355-G358 CarbonylContact O-C 3.51Å; W355-G358 PolarHBondContact O-N 2.86Å; W355-G358 VanDerWaalsContact O-N 3.13Å; L356-G358 VanDerWaalsContact C-N 3.31Å; L356-G358 PolarHBondContact O-N 3.39Å; G358-I360 VanDerWaalsContact C-N 3.35Å; G358-F361 PolarHBondContact O-N 3.06Å; G358-G362 PolarHBondContact O-N 3.17Å
359A91.5Very high83.4Confident0 Ų039.4 Ų39.40%022%0.221CC..Hα-helixtrans-64.1-39.6174.500000112.4G31 W355 L356 A363G31-A359 PolarHBondContact N-O 2.84Å; W355-A359 HydrophobicContact CE3-CB 4.16Å; W355-A359 HydrophobicContact CH2-CB 3.82Å; W355-A359 HydrophobicContact CZ2-CB 4.41Å; W355-A359 HydrophobicContact CZ3-CB 3.65Å; W355-A359 PolarHBondContact O-N 3.06Å; L356-A359 WeakPolarHBondContact O-CB 3.28Å; L356-A359 PolarHBondContact O-N 3.16Å; L356-A359 VanDerWaalsContact O-N 3.12Å; A359-A363 WeakPolarHBondContact O-CB 3.33Å; A359-A363 PolarHBondContact O-N 2.62Å
360I90.4Very high82.4Confident63 Ų6334.4 Ų34.432%0.32320%0.204SC..Hα-helixtrans-67.3-48.9172.4-64.8164.6000109.6L356 G357 G358 G362 A363 L364L356-I360 HydrophobicContact CD1-CD1 4.36Å; L356-I360 HydrophobicContact CD1-CG1 4.45Å; L356-I360 HydrophobicContact CG-CD1 4.15Å; L356-I360 WeakPolarHBondContact O-CG1 3.29Å; L356-I360 PolarHBondContact O-N 2.98Å; G357-I360 PolarHBondContact O-N 2.98Å; G358-I360 VanDerWaalsContact C-N 3.35Å; I360-G362 VanDerWaalsContact C-N 3.32Å; I360-G362 PolarHBondContact O-N 3.47Å; I360-A363 WeakPolarHBondContact O-CB 3.08Å; I360-A363 PolarHBondContact O-N 3.23Å; I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.87Å
361F87.8Confident81.8Confident20 Ų2041.3 Ų41.39%0.08823%0.226CC..Hα-helixtrans-60-41.2-178.7-167.2-89000112.6L90 L119 M126 M129 G357 G358 A363 L364 I367L90-F361 HydrophobicContact CD1-CD1 4.4Å; L90-F361 HydrophobicContact CD2-CD1 4.49Å; L119-F361 HydrophobicContact CD2-CD1 4.17Å; L119-F361 HydrophobicContact CD2-CE1 3.53Å; M126-F361 HydrophobicContact CE-CB 4.45Å; M126-F361 HydrophobicContact CE-CD2 3.74Å; M126-F361 HydrophobicContact CE-CE2 4.04Å; M126-F361 HydrophobicContact CE-CG 4.03Å; M126-F361 HydrophobicContact SD-CB 3.69Å; M126-F361 HydrophobicContact SD-CD1 4.39Å; M126-F361 HydrophobicContact SD-CD2 4.11Å; M126-F361 HydrophobicContact SD-CG 3.81Å; M129-F361 HydrophobicContact CE-CD2 4.44Å; G357-F361 VanDerWaalsContact O-CB 3.28Å; G357-F361 WeakPolarHBondContact O-CB 3.48Å; G357-F361 PolarHBondContact O-N 3.27Å; G358-F361 PolarHBondContact O-N 3.06Å; F361-A363 VanDerWaalsContact C-N 3.3Å; F361-A363 PolarHBondContact O-N 2.98Å; F361-L364 PolarHBondContact O-N 3.25Å; F361-I367 HydrophobicContact CD1-CG2 4.43Å; F361-I367 HydrophobicContact CD2-CD1 4.5Å; F361-I367 HydrophobicContact CE1-CB 4.39Å; F361-I367 HydrophobicContact CE1-CG2 3.47Å; F361-I367 VanDerWaalsContact CE1-CG2 3.47Å; F361-I367 HydrophobicContact CE2-CD1 4.2Å; F361-I367 HydrophobicContact CE2-CG2 3.95Å; F361-I367 HydrophobicContact CZ-CB 4.37Å; F361-I367 HydrophobicContact CZ-CG2 3.22Å
362G84.9Confident81.4Confident6 Ų640.1 Ų40.16%0.06222%0.221CC..Hα-helixtrans-74.6-17177.300000114.1A30 G358 I360 L368A30-G362 VanDerWaalsContact CB-C 3.5Å; G358-G362 PolarHBondContact O-N 3.17Å; I360-G362 VanDerWaalsContact C-N 3.32Å; I360-G362 PolarHBondContact O-N 3.47Å; G362-L368 WeakPolarHBondContact O-CD1 3.32Å
363A85.3Confident81.2Confident50 Ų5039.9 Ų39.941%0.41322%0.219SC..Hα-helixtrans-80.6-21.4174.100000112A359 I360 F361 Q365A359-A363 WeakPolarHBondContact O-CB 3.33Å; A359-A363 PolarHBondContact O-N 2.62Å; I360-A363 WeakPolarHBondContact O-CB 3.08Å; I360-A363 PolarHBondContact O-N 3.23Å; F361-A363 VanDerWaalsContact C-N 3.3Å; F361-A363 PolarHBondContact O-N 2.98Å; A363-Q365 PolarHBondContact O-N 3.26Å; A363-Q365 VanDerWaalsContact O-N 3.17Å
364L81.4Confident81Confident77 Ų7742 Ų4240%0.40323%0.234SC..  trans-76.2101.7177.7-62.2170.4000109.7I360 F361 D366 I367I360-L364 WeakPolarHBondContact O-CG 3.42Å; I360-L364 PolarHBondContact O-N 2.87Å; F361-L364 PolarHBondContact O-N 3.25Å; L364-D366 VanDerWaalsContact C-N 3.33Å; L364-D366 PolarHBondContact O-N 3.25Å; L364-I367 HydrophobicContact CB-CD1 3.79Å; L364-I367 HydrophobicContact CB-CG1 4.15Å; L364-I367 HydrophobicContact CD1-CD1 3.67Å; L364-I367 HydrophobicContact CG-CD1 4.38Å; L364-I367 PolarHBondContact O-N 2.85Å
365Q61.3Low80.8Confident116 Ų11646 Ų4654%0.54225%0.248SC..Hα-helixtrans-58.2-38.3-170.3-71.3-177.6-24.600113.8S9 A363 I367 G369S9-Q365 PolarHBondContact O-NE2 2.78Å; A363-Q365 PolarHBondContact O-N 3.26Å; A363-Q365 VanDerWaalsContact O-N 3.17Å; Q365-I367 VanDerWaalsContact C-N 3.28Å; Q365-I367 PolarHBondContact O-N 3.25Å; Q365-G369 PolarHBondContact O-N 2.79Å
366D62.9Low80.4Confident143 Ų14350.6 Ų50.677%0.76527%0.273SS*.Hα-helixtrans-65.8-31.6-177.1-63.9-28.8000112.8L364 S370L364-D366 VanDerWaalsContact C-N 3.33Å; L364-D366 PolarHBondContact O-N 3.25Å; D366-S370 PolarHBondContact O-N 3.46Å; D366-S370 PolarHBondContact O-OG 3.37Å
367I64.3Low80.1Confident39 Ų3951.5 Ų51.520%0.228%0.275CS..Hα-helixtrans-83.5-41-169-52.6176.7000111.3F361 L364 Q365 G369 S370 R371F361-I367 HydrophobicContact CD1-CG2 4.43Å; F361-I367 HydrophobicContact CD2-CD1 4.5Å; F361-I367 HydrophobicContact CE1-CB 4.39Å; F361-I367 HydrophobicContact CE1-CG2 3.47Å; F361-I367 VanDerWaalsContact CE1-CG2 3.47Å; F361-I367 HydrophobicContact CE2-CD1 4.2Å; F361-I367 HydrophobicContact CE2-CG2 3.95Å; F361-I367 HydrophobicContact CZ-CB 4.37Å; F361-I367 HydrophobicContact CZ-CG2 3.22Å; L364-I367 HydrophobicContact CB-CD1 3.79Å; L364-I367 HydrophobicContact CB-CG1 4.15Å; L364-I367 HydrophobicContact CD1-CD1 3.67Å; L364-I367 HydrophobicContact CG-CD1 4.38Å; L364-I367 PolarHBondContact O-N 2.85Å; Q365-I367 VanDerWaalsContact C-N 3.28Å; Q365-I367 PolarHBondContact O-N 3.25Å; I367-G369 VanDerWaalsContact C-N 3.27Å; I367-G369 PolarHBondContact O-N 3.34Å; I367-S370 PolarHBondContact O-N 3Å; I367-R371 HydrophobicContact CG2-CG 4.34Å; I367-R371 WeakPolarHBondContact O-CB 3.46Å; I367-R371 PolarHBondContact O-N 3.31Å; I367-R371 VanDerWaalsContact O-N 3.07Å
368L61.5Low79.9Confident10 Ų1052.1 Ų52.15%0.05228%0.278CS..Hα-helixtrans-66.6-31176.2-70.9-172.6000112A15 L119 G362 S372A15-L368 HydrophobicContact CB-CD1 3.66Å; L119-L368 HydrophobicContact CD2-CD2 3.82Å; G362-L368 WeakPolarHBondContact O-CD1 3.32Å; L368-S372 WeakPolarHBondContact O-CB 3.33Å; L368-S372 PolarHBondContact O-OG 2.73Å
369G62.2Low79.8Confident48 Ų4856.1 Ų56.150%0.49530%0.299SS..Hα-helixtrans-70-40.5177.800000113.3Q365 I367Q365-G369 PolarHBondContact O-N 2.79Å; I367-G369 VanDerWaalsContact C-N 3.27Å; I367-G369 PolarHBondContact O-N 3.34Å
370S68.7Low79.6Confident39 Ų3964 Ų6427%0.27334%0.336SS..Hα-helixtrans-94.4-31-171.172.30000114.6D366 I367 S397D366-S370 PolarHBondContact O-N 3.46Å; D366-S370 PolarHBondContact O-OG 3.37Å; I367-S370 PolarHBondContact O-N 3Å; S370-S397 PolarHBondContact O-OG 3.23Å
371R76.9Confident79.2Confident174 Ų17464.2 Ų64.266%0.65734%0.34SS*.Hα-helixtrans-104.7-14.8-172.8-60.7-167.6-180-169.2-0.6114.6I367I367-R371 HydrophobicContact CG2-CG 4.34Å; I367-R371 WeakPolarHBondContact O-CB 3.46Å; I367-R371 PolarHBondContact O-N 3.31Å; I367-R371 VanDerWaalsContact O-N 3.07Å
372S83.3Confident78.9Confident17 Ų1765.2 Ų65.212%0.11936%0.356CS..SBendtrans-74.5151178.471.90000111.6S117 L368S117-S372 WeakPolarHBondContact CB-OG 3.4Å; L368-S372 WeakPolarHBondContact O-CB 3.33Å; L368-S372 PolarHBondContact O-OG 2.73Å
373V86.6Confident78.5Confident11 Ų1172.9 Ų72.97%0.06738%0.383CS..EExtended strand (participates in β ladder)trans-88122.2174.5-178.90000108.5S117 V118 Y377 I384S117-V373 CarbonylContact C-O 3.53Å; S117-V373 VanDerWaalsContact CA-O 3.24Å; S117-V373 WeakPolarHBondContact CA-O 3.42Å; V118-V373 PolarHBondContact N-O 2.82Å; V118-V373 PolarHBondContact O-N 2.83Å; V373-Y377 HydrophobicContact CG1-CD1 3.63Å; V373-Y377 HydrophobicContact CG1-CE1 4.41Å; V373-Y377 HydrophobicContact CG1-CG 4.34Å; V373-I384 HydrophobicContact CB-CD1 4.37Å; V373-I384 HydrophobicContact CB-CG1 4.47Å; V373-I384 HydrophobicContact CG1-CD1 4.42Å; V373-I384 HydrophobicContact CG1-CG1 4.15Å; V373-I384 HydrophobicContact CG2-CG1 4.41Å; V373-I384 HydrophobicContact CG2-CG2 4.41Å
374S89.6Confident78.2Confident46 Ų4671.3 Ų71.332%0.32237%0.368SS..EExtended strand (participates in β ladder)trans-80157.2176.372.10000111.7D376 Y377 Y378S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 3.15Å; S374-Y377 PolarHBondContact O-N 3.47Å; S374-Y377 WeakPolarHBondContact OG-CB 3.32Å; S374-Y377 PolarHBondContact OG-N 2.93Å; S374-Y378 PolarHBondContact O-N 3.19Å; S374-Y378 VanDerWaalsContact O-N 3.09Å
375R87.1Confident77.9Confident89 Ų8969.4 Ų69.434%0.33636%0.36SS..Hα-helixtrans-58.6-38.1174.6-172.6-18069.4174.41112.7F110 E114 P116 Y378 N379F110-R375 HydrophobicContact CD1-CB 3.72Å; F110-R375 HydrophobicContact CD1-CG 3.77Å; F110-R375 VanDerWaalsContact CE1-CA 3.46Å; F110-R375 HydrophobicContact CE1-CB 3.78Å; F110-R375 HydrophobicContact CE1-CG 4.34Å; F110-R375 HydrophobicContact CG-CG 4.45Å; E114-R375 IonicContact OE2-NH1 3.7Å; P116-R375 PolarHBondContact O-N 2.86Å; P116-R375 VanDerWaalsContact O-N 3.1Å; R375-Y378 PolarHBondContact O-N 2.85Å; R375-N379 PolarHBondContact O-N 2.86Å; R375-N379 PolarHBondContact O-ND2 3.03Å
376D87.7Confident78.5Confident97 Ų9764.7 Ų64.752%0.51934%0.338SS..Hα-helixtrans-68.7-41-177.9-60.2-27.2000111.1S374 Y378 N379 Q380S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 3.15Å; D376-Y378 VanDerWaalsContact C-N 3.33Å; D376-Y378 PolarHBondContact O-N 2.82Å; D376-N379 PolarHBondContact O-N 3.36Å; D376-Q380 WeakPolarHBondContact O-CG 3.48Å; D376-Q380 PolarHBondContact O-N 2.84Å
377Y86.4Confident79Confident37 Ų3763 Ų6315%0.14532%0.321CS..Hα-helixtrans-58.5-46.3171.9-176.2-89.9000111.2V373 S374 N379 Q380 T381 P393 P395V373-Y377 HydrophobicContact CG1-CD1 3.63Å; V373-Y377 HydrophobicContact CG1-CE1 4.41Å; V373-Y377 HydrophobicContact CG1-CG 4.34Å; S374-Y377 PolarHBondContact O-N 3.47Å; S374-Y377 WeakPolarHBondContact OG-CB 3.32Å; S374-Y377 PolarHBondContact OG-N 2.93Å; Y377-N379 PolarHBondContact O-N 2.79Å; Y377-Q380 PolarHBondContact O-N 3.41Å; Y377-T381 HydrophobicContact CD1-CG2 4.41Å; Y377-T381 WeakPolarHBondContact CD1-OG1 3.25Å; Y377-T381 HydrophobicContact CE1-CG2 3.87Å; Y377-T381 WeakPolarHBondContact CE1-OG1 3.34Å; Y377-T381 HydrophobicContact CE2-CG2 4.11Å; Y377-T381 PolarHBondContact O-N 2.94Å; Y377-T381 PolarHBondContact O-OG1 3.34Å; Y377-P393 PolarHBondContact OH-O 3.34Å; Y377-P393 VanDerWaalsContact OH-O 3.07Å; Y377-P395 HydrophobicContact CD2-CB 4.19Å; Y377-P395 HydrophobicContact CD2-CG 4.3Å; Y377-P395 HydrophobicContact CE1-CG 4.38Å; Y377-P395 HydrophobicContact CE2-CB 3.89Å; Y377-P395 HydrophobicContact CE2-CG 3.86Å
378Y87.4Confident78.6Confident13 Ų1366.1 Ų66.15%0.05135%0.345CS..Hα-helixtrans-64.3-36.6179.2-178.1-103.9000113.1T106 K107 F110 S374 R375 D376 Q380 G382 I384T106-Y378 HydrophobicContact CG2-CD2 3.77Å; T106-Y378 HydrophobicContact CG2-CE1 4.48Å; T106-Y378 HydrophobicContact CG2-CE2 3.43Å; T106-Y378 VanDerWaalsContact CG2-CE2 3.43Å; T106-Y378 HydrophobicContact CG2-CG 4.43Å; K107-Y378 WeakPolarHBondContact CG-OH 3.47Å; F110-Y378 HydrophobicContact CB-CD1 3.82Å; F110-Y378 HydrophobicContact CB-CE1 4.08Å; F110-Y378 AromaticContact CD2-CD1 3.38Å; F110-Y378 HydrophobicContact CD2-CD1 3.38Å; F110-Y378 AromaticContact CD2-CD2 3.97Å; F110-Y378 HydrophobicContact CD2-CD2 3.97Å; F110-Y378 AromaticContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE1 3.94Å; F110-Y378 HydrophobicContact CD2-CE2 4.47Å; F110-Y378 AromaticContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CD2-CG 3.39Å; F110-Y378 HydrophobicContact CE2-CD1 4.15Å; F110-Y378 HydrophobicContact CE2-CD2 4.09Å; F110-Y378 AromaticContact CE2-CG 3.68Å; F110-Y378 HydrophobicContact CE2-CG 3.68Å; F110-Y378 AromaticContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CD1 3.86Å; F110-Y378 HydrophobicContact CG-CE1 4.44Å; F110-Y378 HydrophobicContact CG-CG 4.22Å; S374-Y378 PolarHBondContact O-N 3.19Å; S374-Y378 VanDerWaalsContact O-N 3.09Å; R375-Y378 PolarHBondContact O-N 2.85Å; D376-Y378 VanDerWaalsContact C-N 3.33Å; D376-Y378 PolarHBondContact O-N 2.82Å; Y378-Q380 VanDerWaalsContact C-N 3.27Å; Y378-Q380 PolarHBondContact O-N 3.35Å; Y378-G382 VanDerWaalsContact O-CA 3.24Å; Y378-G382 WeakPolarHBondContact O-CA 3.41Å; Y378-G382 PolarHBondContact O-N 3.06Å; Y378-I384 HydrophobicContact CD2-CG1 4.17Å
379N87.8Confident78.4Confident84 Ų8468.4 Ų68.445%0.44936%0.361SS..Hα-helixtrans-67.6-27.6176.3-76.3-32.3000112.7K111 R375 D376 Y377K111-N379 PolarHBondContact NZ-OD1 3.3Å; R375-N379 PolarHBondContact O-N 2.86Å; R375-N379 PolarHBondContact O-ND2 3.03Å; D376-N379 PolarHBondContact O-N 3.36Å; Y377-N379 PolarHBondContact O-N 2.79Å
380Q88Confident77.9Confident165 Ų16574.1 Ų74.177%0.77138%0.38SS*.Hα-helixtrans-83.1-44.6177.6-66.8172.720.700112.6D376 Y377 Y378D376-Q380 WeakPolarHBondContact O-CG 3.48Å; D376-Q380 PolarHBondContact O-N 2.84Å; Y377-Q380 PolarHBondContact O-N 3.41Å; Y378-Q380 VanDerWaalsContact C-N 3.27Å; Y378-Q380 PolarHBondContact O-N 3.35Å
381T83Confident76.8Confident67 Ų6777.6 Ų77.641%0.41140%0.404SS..Hα-helixtrans-91.1-25.9-174.948.10000113.8Y377 R383Y377-T381 HydrophobicContact CD1-CG2 4.41Å; Y377-T381 WeakPolarHBondContact CD1-OG1 3.25Å; Y377-T381 HydrophobicContact CE1-CG2 3.87Å; Y377-T381 WeakPolarHBondContact CE1-OG1 3.34Å; Y377-T381 HydrophobicContact CE2-CG2 4.11Å; Y377-T381 PolarHBondContact O-N 2.94Å; Y377-T381 PolarHBondContact O-OG1 3.34Å; T381-R383 PolarHBondContact O-N 3.49Å; T381-R383 VanDerWaalsContact O-N 3.15Å; T381-R383 PolarHBondContact OG1-O 2.9Å
382G79.6Confident75.4Confident41 Ų4171.2 Ų71.242%0.42339%0.386SS..SBendtrans70.8-1.6-178.800000115.3Y378Y378-G382 VanDerWaalsContact O-CA 3.24Å; Y378-G382 WeakPolarHBondContact O-CA 3.41Å; Y378-G382 PolarHBondContact O-N 3.06Å
383R77.1Confident73.6Confident167 Ų16775 Ų7563%0.6341%0.41SS*.SBendtrans-146.3156-180-71.5-167.9-179.3-178-1.4112.1E103 T381E103-R383 WeakPolarHBondContact OE1-CD 3.47Å; E103-R383 IonicContact OE1-CZ 2.76Å; E103-R383 IonicContact OE1-NE 3.03Å; E103-R383 PolarHBondContact OE1-NE 3.06Å; E103-R383 IonicContact OE1-NH1 2.68Å; T381-R383 PolarHBondContact O-N 3.49Å; T381-R383 VanDerWaalsContact O-N 3.15Å; T381-R383 PolarHBondContact OG1-O 2.9Å
384I79.1Confident71.9Confident18 Ų1878.6 Ų78.69%0.09243%0.429CS..PPolyproline II helixtrans-97.9140172.2-74.3-174000109.4T106 F110 F120 V373 Y378 D386T106-I384 HydrophobicContact CG2-CD1 3.26Å; T106-I384 HydrophobicContact CG2-CG1 3.79Å; T106-I384 WeakPolarHBondContact OG1-CD1 3.12Å; F110-I384 HydrophobicContact CE2-CD1 4.2Å; F120-I384 HydrophobicContact CD2-CD1 4.2Å; F120-I384 HydrophobicContact CD2-CG2 4.14Å; F120-I384 HydrophobicContact CE2-CD1 3.59Å; F120-I384 HydrophobicContact CE2-CG2 4.33Å; V373-I384 HydrophobicContact CB-CD1 4.37Å; V373-I384 HydrophobicContact CB-CG1 4.47Å; V373-I384 HydrophobicContact CG1-CD1 4.42Å; V373-I384 HydrophobicContact CG1-CG1 4.15Å; V373-I384 HydrophobicContact CG2-CG1 4.41Å; V373-I384 HydrophobicContact CG2-CG2 4.41Å; Y378-I384 HydrophobicContact CD2-CG1 4.17Å; I384-D386 PolarHBondContact O-N 2.58Å
385P74.8Confident70.1Confident37 Ų3777.3 Ų77.324%0.2442%0.419CS..PPolyproline II helixtrans-59.9128.1175.425.2-34.7000110.8
386D75.5Confident68.1Low17 Ų1781 Ų819%0.09144%0.441CS..PPolyproline II helixtrans-87.6151.4169.9-156.8-23000110.4S99 R102 I384 C388 C389S99-D386 WeakPolarHBondContact CB-OD2 3.24Å; S99-D386 PolarHBondContact OG-OD2 2.9Å; R102-D386 IonicContact CZ-OD1 3.37Å; R102-D386 IonicContact CZ-OD2 2.8Å; R102-D386 IonicContact NH1-OD1 3.15Å; R102-D386 PolarHBondContact NH1-OD1 3Å; R102-D386 IonicContact NH1-OD2 2.77Å; R102-D386 PolarHBondContact NH1-OD2 3.41Å; R102-D386 IonicContact NH2-OD1 2.78Å; R102-D386 PolarHBondContact NH2-OD1 2.7Å; R102-D386 IonicContact NH2-OD2 3.26Å; R102-D386 PolarHBondContact NH2-OD2 3.3Å; I384-D386 PolarHBondContact O-N 2.58Å; D386-C388 PolarHBondContact O-N 3Å; D386-C388 PolarHBondContact OD1-N 2.88Å; D386-C389 HydrophobicContact CB-CB 3.74Å; D386-C389 PolarHBondContact O-N 3.17Å
387W71.5Confident66.2Low107 Ų10779 Ų7941%0.40543%0.434SS..THydrogen-bonded Turntrans-50.9-35.4163.6-45.4105.1000111.7P122P122-W387 HydrophobicContact CG-CH2 4.13Å; P122-W387 HydrophobicContact CG-CZ2 4.2Å
388C57.2Low64.3Low104 Ų10480 Ų8070%0.70344%0.444SS*.THydrogen-bonded Turntrans-87.5-12-179.7-60.40000114.1D386D386-C388 PolarHBondContact O-N 3Å; D386-C388 PolarHBondContact OD1-N 2.88Å
389C56.5Low62.3Low58 Ų5886.4 Ų86.439%0.39247%0.469SS..  trans-105.276.3-175.8-70.20000110.9D386 S391 S392D386-C389 HydrophobicContact CB-CB 3.74Å; D386-C389 PolarHBondContact O-N 3.17Å; C389-S391 PolarHBondContact O-N 3.03Å; C389-S391 VanDerWaalsContact O-N 3.09Å; C389-S392 PolarHBondContact O-N 2.96Å; C389-S392 PolarHBondContact O-OG 3.43Å
390L52.7Low60.1Low169 Ų16986.4 Ų86.489%0.88547%0.469SS*.THydrogen-bonded Turntrans-62.3-10.1172.7-66.2169.1000113.8
391S45.8Very low58Low111 Ų11181.3 Ų81.378%0.77646%0.455SS*.THydrogen-bonded Turntrans-86.5-9.1-178.1530000114.3C389C389-S391 PolarHBondContact O-N 3.03Å; C389-S391 VanDerWaalsContact O-N 3.09Å
392S46.5Very low55.9Low40 Ų4081.5 Ų81.528%0.2847%0.471SS..SBendtrans-82.8121173.6-3.10000109C389 L394C389-S392 PolarHBondContact O-N 2.96Å; C389-S392 PolarHBondContact O-OG 3.43Å; S392-L394 PolarHBondContact O-N 3.31Å
393P46Very low54Low97 Ų9786.6 Ų86.663%0.6348%0.481SS*.PPolyproline II helixtrans-58.7129.217124.1-30.2000108.3Y377Y377-P393 PolarHBondContact OH-O 3.34Å; Y377-P393 VanDerWaalsContact OH-O 3.07Å
394L51.9Low52.1Low87 Ų8783.7 Ų83.746%0.45548%0.482SS..PPolyproline II helixtrans-57.5145.9170.6-73.7160.1000108.8S392 E396 V398 Y399S392-L394 PolarHBondContact O-N 3.31Å; L394-E396 PolarHBondContact O-N 3.25Å; L394-V398 HydrophobicContact CB-CB 4.29Å; L394-V398 HydrophobicContact CB-CG2 4.39Å; L394-V398 HydrophobicContact CD1-CG1 4.35Å; L394-Y399 HydrophobicContact CB-CE2 4.07Å
395P50.3Low50Low19 Ų1988.1 Ų88.112%0.12351%0.512CS..PPolyproline II helixtrans-50.7139.7174.4-22.930.9000110.8Y377 S397 V398Y377-P395 HydrophobicContact CD2-CB 4.19Å; Y377-P395 HydrophobicContact CD2-CG 4.3Å; Y377-P395 HydrophobicContact CE1-CG 4.38Å; Y377-P395 HydrophobicContact CE2-CB 3.89Å; Y377-P395 HydrophobicContact CE2-CG 3.86Å; P395-S397 PolarHBondContact O-N 2.93Å; P395-V398 HydrophobicContact CB-CG2 4.49Å; P395-V398 WeakPolarHBondContact O-CB 3.48Å; P395-V398 PolarHBondContact O-N 3.44Å
396E45.7Very low48.3Very low167 Ų16791.5 Ų91.578%0.7853%0.534SS*.Hα-helixtrans-54-26.7-179.2-72.6-177.1155.300112.8L394 V398 Y399 D400L394-E396 PolarHBondContact O-N 3.25Å; E396-V398 PolarHBondContact O-N 3.24Å; E396-Y399 PolarHBondContact O-N 3.32Å; E396-D400 PolarHBondContact O-N 3.24Å
397S47.8Very low46.4Very low54 Ų5496.7 Ų96.738%0.37857%0.569SS.*Hα-helixtrans-58.4-27.5173.862.90000114.4S370 P395 A401S370-S397 PolarHBondContact O-OG 3.23Å; P395-S397 PolarHBondContact O-N 2.93Å; S397-A401 PolarHBondContact O-N 3.17Å
398V46.4Very low44.8Very low59 Ų5999.4 Ų99.436%0.35859%0.59SS.*Hα-helixtrans-72.8-32.3177.4-177.10000111L394 P395 E396L394-V398 HydrophobicContact CB-CB 4.29Å; L394-V398 HydrophobicContact CB-CG2 4.39Å; L394-V398 HydrophobicContact CD1-CG1 4.35Å; P395-V398 HydrophobicContact CB-CG2 4.49Å; P395-V398 WeakPolarHBondContact O-CB 3.48Å; P395-V398 PolarHBondContact O-N 3.44Å; E396-V398 PolarHBondContact O-N 3.24Å
399Y45.8Very low43.7Very low146 Ų146103 Ų10357%0.57360%0.599SS**Hα-helixtrans-78.9-25.8176.2-63.9-78.7000112.7L394 E396L394-Y399 HydrophobicContact CB-CE2 4.07Å; E396-Y399 PolarHBondContact O-N 3.32Å
400D41Very low42.7Very low84 Ų84110 Ų11045%0.44962%0.623SS.*Hα-helixtrans-81.8-21178-80.7-17.1000113.8E396 G402 K403E396-D400 PolarHBondContact O-N 3.24Å; D400-G402 PolarHBondContact O-N 2.78Å; D400-K403 PolarHBondContact O-N 2.93Å; D400-K403 IonicContact OD1-NZ 2.73Å; D400-K403 PolarHBondContact OD1-NZ 3.18Å
401A44.6Very low41.8Very low58 Ų58113 Ų11348%0.47962%0.622SS.*THydrogen-bonded Turntrans-61-25.7171.400000113S397 T404S397-A401 PolarHBondContact O-N 3.17Å; A401-T404 PolarHBondContact O-OG1 3.28Å
402G39Very low41.4Very low72 Ų72112.2 Ų112.274%0.74262%0.622SS**THydrogen-bonded Turntrans-84.1-7.2175.500000115.1D400D400-G402 PolarHBondContact O-N 2.78Å
403K38.9Very low40.9Very low147 Ų147118.9 Ų118.964%0.63965%0.647SS**THydrogen-bonded Turntrans-100.2-8.7-177.4-66-176.8-165.7149.80114D400 P405D400-K403 PolarHBondContact O-N 2.93Å; D400-K403 IonicContact OD1-NZ 2.73Å; D400-K403 PolarHBondContact OD1-NZ 3.18Å; K403-P405 WeakPolarHBondContact O-CD 3.32Å
404T37.2Very low40.2Very low107 Ų107119.4 Ų119.466%0.65665%0.653SS**SBendtrans-81.2116.9171.647.70000108.5A401A401-T404 PolarHBondContact O-OG1 3.28Å
405P35.7Very low39.4Very low110 Ų110121.3 Ų121.371%0.71467%0.668SS**PPolyproline II helixtrans-60.5142.5173.525.7-31.5000108.2K403K403-P405 WeakPolarHBondContact O-CD 3.32Å
406P38.6Very low38.8Very low108 Ų108129 Ų12970%0.70170%0.702SS**PPolyproline II helixtrans-54.7138.217423.9-32.3000108.2L408P406-L408 PolarHBondContact O-N 3.01Å
407P36.4Very low38.3Very low127 Ų127134.4 Ų134.483%0.82572%0.723SS**  trans-58111.6178.722.5-30.6000107.7M409P407-M409 PolarHBondContact O-N 2.96Å
408L37.3Very low37.8Very low163 Ų163138.5 Ų138.585%0.85374%0.741SS**  trans-54.6111.8173.6-78.6161.6000107P406 K410P406-L408 PolarHBondContact O-N 3.01Å; L408-K410 VanDerWaalsContact C-N 3.34Å; L408-K410 PolarHBondContact O-N 3.5Å
409M33.6Very low37.3Very low181 Ų181142.6 Ų142.689%0.89276%0.761SS**  trans-53.1104.3163.6-87.6-171.7-172.500106.8P407 R411P407-M409 PolarHBondContact O-N 2.96Å; M409-R411 VanDerWaalsContact C-N 3.29Å; M409-R411 PolarHBondContact O-N 3.07Å
410K35.6Very low36.9Very low205 Ų205142.4 Ų142.489%0.89177%0.771SS**  trans-60.1100.3163.5-79.8-177.6175.71790106L408 A412L408-K410 VanDerWaalsContact C-N 3.34Å; L408-K410 PolarHBondContact O-N 3.5Å; K410-A412 PolarHBondContact O-N 3.43Å
411R32.8Very low36.6Very low231 Ų231145.9 Ų145.987%0.87279%0.79SS**  trans-54.8109.6165.8-83.6-178.7172.2175.1-2.2107M409 F413M409-R411 VanDerWaalsContact C-N 3.29Å; M409-R411 PolarHBondContact O-N 3.07Å; R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 3.22Å
412A37.7Very low36.1Very low94 Ų94151.4 Ų151.478%0.77781%0.81SS**  trans-6987.7167.100000108.3K410K410-A412 PolarHBondContact O-N 3.43Å
413F35.7Very low35.9Very low180 Ų180156.7 Ų156.779%0.78981%0.814SS**  trans-13677.7159.1-78.2-75.8000107.7R411R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 3.22Å
414S32.2Very low35.7Very low109 Ų109157.4 Ų157.476%0.76283%0.827SS**  trans-93.997.9153.6-175.50000106.3
415T35.8Very low35.6Very low126 Ų126161.2 Ų161.277%0.77384%0.84SS**  trans-94.2102.9157.848.30000106.4K417T415-K417 PolarHBondContact O-N 3.17Å
416E37Very low35.6Very low180 Ų180165.5 Ų165.584%0.84185%0.85SS**  trans-60.4128.8164.7-69.6178.4156.600109.6
417K34.5Very low35.3Very low282 Ų282170.7 Ų170.7100%1.22686%0.864SS**  trans-143.50144.3-97.9-165.2178.7-1770108.7T415T415-K417 PolarHBondContact O-N 3.17Å

Retrieved 417 of 417 residues in 415.5 ms (Link to these results)