A0A060XW32_ONCMY Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A060XW32, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110496415, Length 341 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
1M40.7Very low70.4Confident243 Ų243110.5 Ų110.5100%1.19760%0.599SS**  0104.50-77.7178.6-96.400107.6
2V34.9Very low72.5Confident130 Ų130110.2 Ų110.279%0.78859%0.591SS**  trans-103.2105.3171.3-1770000105.6S4V2-S4 PolarHBondContact O-N 3.32Å
3S40.8Very low74.3Confident129 Ų129108.4 Ų108.490%0.90258%0.577SS**  trans-68.682.5160.1173.40000106.3
4S54.8Low75.6Confident89 Ų89105.5 Ų105.562%0.62257%0.565SS**PPolyproline II helixtrans-81.8133.416846.80000107.5V2V2-S4 PolarHBondContact O-N 3.32Å
5Q62Low76.4Confident166 Ų166100.4 Ų100.478%0.77655%0.547SS*.PPolyproline II helixtrans-51.3142168.5-69.2-177.5-11.500109.5K7Q5-K7 PolarHBondContact O-N 3.36Å
6P75.7Confident76.9Confident84 Ų84104.4 Ų104.455%0.54555%0.552SS.*PPolyproline II helixtrans-60.2125.1-176.820.8-29.8000110Y8 K28P6-Y8 PolarHBondContact O-N 3.2Å; P6-K28 VanDerWaalsContact O-CD 3.23Å; P6-K28 WeakPolarHBondContact O-CD 3.47Å; P6-K28 WeakPolarHBondContact O-CE 3.47Å
7K88.8Confident76.5Confident103 Ų103101 Ų10145%0.44855%0.548SS..SBendtrans-61.5-32.4-176-179.9177.7171.6-1700112.6Q5 K28 E72Q5-K7 PolarHBondContact O-N 3.36Å; K7-K28 PolarHBondContact O-N 2.87Å; K7-K28 VanDerWaalsContact O-N 3.11Å; K7-E72 WeakPolarHBondContact CE-OE1 3.26Å; K7-E72 IonicContact NZ-OE1 2.97Å; K7-E72 PolarHBondContact NZ-OE1 3.08Å
8Y92.2Very high75.9Confident29 Ų29101.5 Ų101.511%0.11456%0.56CS.*EExtended strand (participates in β ladder)trans-115.8140.6-176.9-55-77.4000110.7P6 L26 V27 M34 E72 V118P6-Y8 PolarHBondContact O-N 3.2Å; Y8-L26 WeakPolarHBondContact CA-O 3.45Å; Y8-V27 HydrophobicContact CD1-CG2 4.07Å; Y8-V27 HydrophobicContact CE1-CG2 3.83Å; Y8-M34 HydrophobicContact CE1-CG 4.45Å; Y8-E72 HydrophobicContact CE2-CG 4.44Å; Y8-E72 WeakPolarHBondContact CE2-OE1 3.43Å; Y8-E72 VanDerWaalsContact CZ-OE1 3.31Å; Y8-E72 PolarHBondContact OH-OE1 3.39Å; Y8-V118 HydrophobicContact CD1-CG1 4.25Å; Y8-V118 HydrophobicContact CD2-CG2 4.16Å; Y8-V118 HydrophobicContact CE1-CG1 3.56Å; Y8-V118 HydrophobicContact CE1-CG2 4.48Å; Y8-V118 HydrophobicContact CE2-CG1 4.24Å; Y8-V118 HydrophobicContact CE2-CG2 3.69Å
9E94.1Very high75.9Confident100 Ų100101.2 Ų101.247%0.46755%0.551SS.*EExtended strand (participates in β ladder)trans-109116.7170.9-176.6173.1176.500108.7I11 A25 L26 K28E9-I11 HydrophobicContact CG-CD1 4.17Å; E9-A25 CarbonylContact O-C 3.47Å; E9-A25 WeakPolarHBondContact O-CA 3.31Å; E9-A25 WeakPolarHBondContact O-CB 3.41Å; E9-L26 PolarHBondContact N-O 2.96Å; E9-L26 PolarHBondContact O-N 3.12Å; E9-K28 HydrophobicContact CB-CG 4.22Å
10L94.8Very high76.4Confident62 Ų6296.8 Ų96.833%0.32553%0.529SS..EExtended strand (participates in β ladder)trans-74.8129.9176.4-56.8-174.3000109.2Y23 A25 V36 W116L10-Y23 HydrophobicContact CD1-CD1 4.4Å; L10-Y23 HydrophobicContact CD1-CD2 4.24Å; L10-Y23 HydrophobicContact CD1-CG 4.15Å; L10-Y23 HydrophobicContact CD2-CG 4.42Å; L10-A25 HydrophobicContact CD2-CB 3.92Å; L10-V36 HydrophobicContact CD2-CB 3.92Å; L10-V36 HydrophobicContact CD2-CG1 4.03Å; L10-V36 HydrophobicContact CD2-CG2 4.08Å; L10-W116 HydrophobicContact CD1-CH2 3.99Å; L10-W116 HydrophobicContact CD1-CZ3 3.92Å; L10-W116 HydrophobicContact CD2-CZ3 4.07Å; L10-W116 HydrophobicContact CG-CZ3 4.23Å
11I95.7Very high77.2Confident80 Ų8093 Ų9341%0.4151%0.509SS..EExtended strand (participates in β ladder)trans-99.9-61-175.3-54.6-57.6000110.5E9 E24 L26E9-I11 HydrophobicContact CG-CD1 4.17Å; I11-E24 HydrophobicContact CB-CG 4.43Å; I11-E24 PolarHBondContact N-O 3.05Å; I11-L26 HydrophobicContact CD1-CB 4.38Å; I11-L26 HydrophobicContact CD1-CD1 3.74Å; I11-L26 HydrophobicContact CD1-CG 3.83Å; I11-L26 HydrophobicContact CG1-CD1 4.23Å; I11-L26 HydrophobicContact CG1-CG 3.86Å
12Q95.7Very high79.8Confident107 Ų10783.1 Ų83.150%0.546%0.462SS..EExtended strand (participates in β ladder)trans-152.1152.7-176.160.4-179.2-3.200111.3V14 Y23 E24Q12-V14 HydrophobicContact CG-CG1 4.17Å; Q12-V14 PolarHBondContact O-N 2.73Å; Q12-Y23 CarbonylContact O-C 3.6Å; Q12-Y23 WeakPolarHBondContact O-CA 3.43Å; Q12-E24 HydrophobicContact CG-CB 4.04Å; Q12-E24 PolarHBondContact NE2-OE2 2.9Å; Q12-E24 PolarHBondContact O-N 2.96Å
13E96.1Very high82.7Confident87 Ų8779.6 Ų79.641%0.40744%0.435SS..EExtended strand (participates in β ladder)trans-70125.3168.5178.7170157.700108.9R16 V21 Y23E13-R16 VanDerWaalsContact CD-NH2 3.31Å; E13-R16 IonicContact OE1-CZ 2.72Å; E13-R16 IonicContact OE1-NE 2.74Å; E13-R16 PolarHBondContact OE1-NE 2.91Å; E13-R16 IonicContact OE1-NH2 3.75Å; E13-R16 PolarHBondContact OE1-NH2 3.04Å; E13-R16 VanDerWaalsContact OE1-NH2 3.11Å; E13-R16 IonicContact OE2-CZ 3.6Å; E13-R16 IonicContact OE2-NE 2.74Å; E13-R16 IonicContact OE2-NH2 3.64Å; E13-R16 PolarHBondContact OE2-NH2 3.12Å; E13-V21 HydrophobicContact CB-CG1 4.37Å; E13-V21 HydrophobicContact CG-CG1 3.55Å; E13-V21 WeakPolarHBondContact OE2-CG1 3.42Å; E13-Y23 HydrophobicContact CB-CD1 4.28Å; E13-Y23 HydrophobicContact CB-CE1 4.18Å
14V92.7Very high85.4Confident68 Ų6874.2 Ų74.241%0.41240%0.396SS..EExtended strand (participates in β ladder)trans-109.2-16.3178.6-650000112.7Q12 V22 E24 F121Q12-V14 HydrophobicContact CG-CG1 4.17Å; Q12-V14 PolarHBondContact O-N 2.73Å; V14-V22 HydrophobicContact CG2-CB 4.06Å; V14-V22 HydrophobicContact CG2-CG1 3.69Å; V14-V22 WeakPolarHBondContact CG2-O 3.38Å; V14-V22 PolarHBondContact N-O 3.45Å; V14-E24 HydrophobicContact CG1-CB 3.72Å; V14-F121 HydrophobicContact CG1-CE2 4.13Å; V14-F121 HydrophobicContact CG1-CZ 4.48Å; V14-F121 HydrophobicContact CG2-CE2 4.47Å
15G86.6Confident87.4Confident29 Ų2970 Ų7030%0.29937%0.366SS..EExtended strand (participates in β ladder)trans-169.9154.6176.400000112.1V22G15-V22 PolarHBondContact N-O 2.91Å; G15-V22 PolarHBondContact O-N 2.97Å
16R85.3Confident89Confident164 Ų16464.5 Ų64.562%0.61934%0.342SS*.EExtended strand (participates in β ladder)trans-132.9115.4175.1-177.2174.2-64.4-101.80.3108.2E13 V21E13-R16 VanDerWaalsContact CD-NH2 3.31Å; E13-R16 IonicContact OE1-CZ 2.72Å; E13-R16 IonicContact OE1-NE 2.74Å; E13-R16 PolarHBondContact OE1-NE 2.91Å; E13-R16 IonicContact OE1-NH2 3.75Å; E13-R16 PolarHBondContact OE1-NH2 3.04Å; E13-R16 VanDerWaalsContact OE1-NH2 3.11Å; E13-R16 IonicContact OE2-CZ 3.6Å; E13-R16 IonicContact OE2-NE 2.74Å; E13-R16 IonicContact OE2-NH2 3.64Å; E13-R16 PolarHBondContact OE2-NH2 3.12Å; R16-V21 HydrophobicContact CG-CG2 4.36Å; R16-V21 VanDerWaalsContact CZ-CG2 3.45Å
17G70.4Confident89.9Confident47 Ų4761.5 Ų61.549%0.48532%0.322SS..  trans-94.7-177.317200000110.9Y19 G20G17-Y19 PolarHBondContact O-N 3.39Å; G17-G20 PolarHBondContact N-O 2.79Å
18S65.7Low90.1Very high110 Ų11061.5 Ų61.577%0.76932%0.322SS*.SBendtrans-61.3-27.6179.8-470000113.4
19Y74.9Confident90Very high96 Ų9671.5 Ų71.538%0.37636%0.36SS..SBendtrans-120.4-3.8-168.7-46.4-68.8000114.1G17 I39 L49G17-Y19 PolarHBondContact O-N 3.39Å; Y19-I39 WeakPolarHBondContact O-CG2 3.16Å; Y19-L49 HydrophobicContact CD1-CD1 3.34Å; Y19-L49 HydrophobicContact CD2-CD1 3.77Å; Y19-L49 HydrophobicContact CE1-CD1 3.26Å; Y19-L49 HydrophobicContact CE2-CD1 3.68Å; Y19-L49 HydrophobicContact CG-CD1 3.59Å; Y19-L49 VanDerWaalsContact CZ-CD1 3.43Å
20G86.2Confident90Very high12 Ų1271.6 Ų71.612%0.12437%0.367CS..EExtended strand (participates in β ladder)trans-174171.5-175.100000114.4G17 K38G17-G20 PolarHBondContact N-O 2.79Å; G20-K38 WeakPolarHBondContact CA-O 3.46Å
21V93.3Very high89.9Confident17 Ų1770.9 Ų70.910%0.10338%0.375CS..EExtended strand (participates in β ladder)trans-115.4131.7180-171.40000108.9E13 R16 Y23 K38E13-V21 HydrophobicContact CB-CG1 4.37Å; E13-V21 HydrophobicContact CG-CG1 3.55Å; E13-V21 WeakPolarHBondContact OE2-CG1 3.42Å; R16-V21 HydrophobicContact CG-CG2 4.36Å; R16-V21 VanDerWaalsContact CZ-CG2 3.45Å; V21-Y23 HydrophobicContact CB-CD2 4.48Å; V21-Y23 HydrophobicContact CB-CE2 3.67Å; V21-Y23 HydrophobicContact CG1-CD2 4.2Å; V21-Y23 HydrophobicContact CG1-CE1 4.17Å; V21-Y23 HydrophobicContact CG1-CE2 3.52Å; V21-K38 PolarHBondContact N-O 2.79Å; V21-K38 PolarHBondContact O-N 3.25Å
22V95.3Very high89.8Confident36 Ų3669.1 Ų69.122%0.21837%0.372CS..EExtended strand (participates in β ladder)trans-100.8127.7176.7-171.30000108.7V14 G15 A35 V36 K37V14-V22 HydrophobicContact CG2-CB 4.06Å; V14-V22 HydrophobicContact CG2-CG1 3.69Å; V14-V22 WeakPolarHBondContact CG2-O 3.38Å; V14-V22 PolarHBondContact N-O 3.45Å; G15-V22 PolarHBondContact N-O 2.91Å; G15-V22 PolarHBondContact O-N 2.97Å; V22-A35 HydrophobicContact CG1-CB 4.24Å; V22-V36 WeakPolarHBondContact CA-O 3.42Å; V22-K37 HydrophobicContact CG2-CB 4.08Å; V22-K37 HydrophobicContact CG2-CG 3.97Å
23Y96.8Very high89.8Confident56 Ų5669.3 Ų69.322%0.2237%0.368CS..EExtended strand (participates in β ladder)trans-113.2143.4176.8-61.7-92.7000110.3L10 Q12 E13 V21 A35 V36 K38L10-Y23 HydrophobicContact CD1-CD1 4.4Å; L10-Y23 HydrophobicContact CD1-CD2 4.24Å; L10-Y23 HydrophobicContact CD1-CG 4.15Å; L10-Y23 HydrophobicContact CD2-CG 4.42Å; Q12-Y23 CarbonylContact O-C 3.6Å; Q12-Y23 WeakPolarHBondContact O-CA 3.43Å; E13-Y23 HydrophobicContact CB-CD1 4.28Å; E13-Y23 HydrophobicContact CB-CE1 4.18Å; V21-Y23 HydrophobicContact CB-CD2 4.48Å; V21-Y23 HydrophobicContact CB-CE2 3.67Å; V21-Y23 HydrophobicContact CG1-CD2 4.2Å; V21-Y23 HydrophobicContact CG1-CE1 4.17Å; V21-Y23 HydrophobicContact CG1-CE2 3.52Å; Y23-A35 CarbonylContact O-C 3.51Å; Y23-A35 WeakPolarHBondContact O-CA 3.39Å; Y23-V36 PolarHBondContact N-O 3.26Å; Y23-V36 PolarHBondContact O-N 3.19Å; Y23-K38 HydrophobicContact CD2-CB 4.48Å; Y23-K38 HydrophobicContact CE2-CB 4.19Å
24E96.8Very high89.9Confident16 Ų1666.2 Ų66.28%0.07535%0.354CS..EExtended strand (participates in β ladder)trans-70.3135.3155.7179.3173.8-174.900108.6I11 Q12 V14 R33 F121I11-E24 HydrophobicContact CB-CG 4.43Å; I11-E24 PolarHBondContact N-O 3.05Å; Q12-E24 HydrophobicContact CG-CB 4.04Å; Q12-E24 PolarHBondContact NE2-OE2 2.9Å; Q12-E24 PolarHBondContact O-N 2.96Å; V14-E24 HydrophobicContact CG1-CB 3.72Å; E24-R33 IonicContact OE1-CZ 3.61Å; E24-R33 IonicContact OE1-NE 2.73Å; E24-R33 PolarHBondContact OE1-NE 2.99Å; E24-R33 IonicContact OE1-NH2 3.16Å; E24-R33 PolarHBondContact OE1-NH2 2.99Å; E24-R33 IonicContact OE2-NH2 3.55Å; E24-F121 HydrophobicContact CB-CD2 4.31Å; E24-F121 HydrophobicContact CB-CE2 3.73Å; E24-F121 HydrophobicContact CB-CZ 4.34Å; E24-F121 HydrophobicContact CG-CD2 4.18Å; E24-F121 HydrophobicContact CG-CE2 3.82Å; E24-F121 HydrophobicContact CG-CZ 4.16Å
25A96.7Very high90Very high0 Ų063.4 Ų63.40%034%0.338CS..EExtended strand (participates in β ladder)trans-135.6152.4179.600000111.9E9 L10 R33 M34 V36E9-A25 CarbonylContact O-C 3.47Å; E9-A25 WeakPolarHBondContact O-CA 3.31Å; E9-A25 WeakPolarHBondContact O-CB 3.41Å; L10-A25 HydrophobicContact CD2-CB 3.92Å; A25-R33 CarbonylContact O-C 3.54Å; A25-R33 WeakPolarHBondContact O-CA 3.49Å; A25-M34 PolarHBondContact N-O 3.15Å; A25-M34 PolarHBondContact O-N 3.18Å; A25-V36 HydrophobicContact CB-CB 4.38Å; A25-V36 HydrophobicContact CB-CG2 3.52Å
26L96.2Very high90.5Very high52 Ų5262 Ų6227%0.27232%0.324SS..EExtended strand (participates in β ladder)trans-107.4135.6171-65.8177.8000110.9Y8 E9 I11 K28 A32 R33Y8-L26 WeakPolarHBondContact CA-O 3.45Å; E9-L26 PolarHBondContact N-O 2.96Å; E9-L26 PolarHBondContact O-N 3.12Å; I11-L26 HydrophobicContact CD1-CB 4.38Å; I11-L26 HydrophobicContact CD1-CD1 3.74Å; I11-L26 HydrophobicContact CD1-CG 3.83Å; I11-L26 HydrophobicContact CG1-CD1 4.23Å; I11-L26 HydrophobicContact CG1-CG 3.86Å; L26-K28 PolarHBondContact O-N 3.35Å; L26-A32 WeakPolarHBondContact CA-O 3.23Å; L26-R33 HydrophobicContact CD2-CB 4.48Å; L26-R33 HydrophobicContact CD2-CG 3.68Å
27V94.7Very high91Very high20 Ų2055.1 Ų55.112%0.12130%0.298CS..EExtended strand (participates in β ladder)trans-74110.5167.9-177.20000108.2Y8 R29 T30 G31 A32 M34Y8-V27 HydrophobicContact CD1-CG2 4.07Å; Y8-V27 HydrophobicContact CE1-CG2 3.83Å; V27-R29 PolarHBondContact O-N 3.39Å; V27-T30 WeakPolarHBondContact CB-OG1 3.43Å; V27-T30 WeakPolarHBondContact CG1-OG1 3.44Å; V27-T30 PolarHBondContact O-N 3.12Å; V27-G31 WeakPolarHBondContact O-CA 3.34Å; V27-G31 PolarHBondContact O-N 2.94Å; V27-A32 HydrophobicContact CB-CB 4.31Å; V27-A32 HydrophobicContact CG2-CB 4.1Å; V27-A32 PolarHBondContact N-O 3.49Å; V27-M34 HydrophobicContact CG2-CG 3.6Å
28K91.6Very high92.1Very high103 Ų10355.3 Ų55.345%0.44829%0.286SS..THydrogen-bonded Turntrans-54.8-32-171.8-69.4-163179.9-177.10114.6P6 K7 E9 L26P6-K28 VanDerWaalsContact O-CD 3.23Å; P6-K28 WeakPolarHBondContact O-CD 3.47Å; P6-K28 WeakPolarHBondContact O-CE 3.47Å; K7-K28 PolarHBondContact O-N 2.87Å; K7-K28 VanDerWaalsContact O-N 3.11Å; E9-K28 HydrophobicContact CB-CG 4.22Å; L26-K28 PolarHBondContact O-N 3.35Å
29R91.3Very high93.4Very high240 Ų24050.2 Ų50.291%0.90625%0.25SC*.THydrogen-bonded Turntrans-76.8-33.2-177.9-173.4176.3176.4-175.6-1113.5V27V27-R29 PolarHBondContact O-N 3.39Å
30T93.9Very high94.3Very high101 Ų10152 Ų5262%0.6226%0.256SS*.THydrogen-bonded Turntrans-118.1-16.7-169.9590000113.6V27 A32V27-T30 WeakPolarHBondContact CB-OG1 3.43Å; V27-T30 WeakPolarHBondContact CG1-OG1 3.44Å; V27-T30 PolarHBondContact O-N 3.12Å; T30-A32 PolarHBondContact O-N 2.68Å; T30-A32 WeakPolarHBondContact OG1-CB 3.49Å; T30-A32 PolarHBondContact OG1-N 3.32Å
31G92.9Very high94.6Very high47 Ų4751.6 Ų51.649%0.48525%0.251SS..  trans69.810.2-169.600000113.7V27V27-G31 WeakPolarHBondContact O-CA 3.34Å; V27-G31 PolarHBondContact O-N 2.94Å
32A93.6Very high94.4Very high43 Ų4355.9 Ų55.936%0.35527%0.27SS..  trans-66.3137.6177.700000110.6L26 V27 T30L26-A32 WeakPolarHBondContact CA-O 3.23Å; V27-A32 HydrophobicContact CB-CB 4.31Å; V27-A32 HydrophobicContact CG2-CB 4.1Å; V27-A32 PolarHBondContact N-O 3.49Å; T30-A32 PolarHBondContact O-N 2.68Å; T30-A32 WeakPolarHBondContact OG1-CB 3.49Å; T30-A32 PolarHBondContact OG1-N 3.32Å
33R95.8Very high94.1Very high112 Ų11255.3 Ų55.342%0.42327%0.267SS..EExtended strand (participates in β ladder)trans-82.3132.6176.2-64.4171.373.8-157.110.8110E24 A25 L26 F121E24-R33 IonicContact OE1-CZ 3.61Å; E24-R33 IonicContact OE1-NE 2.73Å; E24-R33 PolarHBondContact OE1-NE 2.99Å; E24-R33 IonicContact OE1-NH2 3.16Å; E24-R33 PolarHBondContact OE1-NH2 2.99Å; E24-R33 IonicContact OE2-NH2 3.55Å; A25-R33 CarbonylContact O-C 3.54Å; A25-R33 WeakPolarHBondContact O-CA 3.49Å; L26-R33 HydrophobicContact CD2-CB 4.48Å; L26-R33 HydrophobicContact CD2-CG 3.68Å; R33-F121 HydrophobicContact CB-CB 4.29Å; R33-F121 HydrophobicContact CB-CD1 4.47Å; R33-F121 HydrophobicContact CB-CG 4.46Å
34M96.4Very high93.8Very high21 Ų2153.6 Ų53.610%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-133.4157.1178.1-58.9-64.1-71.800109.5Y8 A25 V27 E71 V118 M119Y8-M34 HydrophobicContact CE1-CG 4.45Å; A25-M34 PolarHBondContact N-O 3.15Å; A25-M34 PolarHBondContact O-N 3.18Å; V27-M34 HydrophobicContact CG2-CG 3.6Å; M34-E71 HydrophobicContact CE-CB 3.69Å; M34-E71 HydrophobicContact CE-CG 4.07Å; M34-V118 HydrophobicContact CB-CG1 4.17Å; M34-V118 HydrophobicContact CE-CG1 3.71Å; M34-V118 HydrophobicContact CG-CG1 4.36Å; M34-M119 WeakPolarHBondContact CE-O 3.31Å
35A96.8Very high93.3Very high10 Ų1058.2 Ų58.28%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-95.1138.116500000109.3V22 Y23 V118 M119 F121V22-A35 HydrophobicContact CG1-CB 4.24Å; Y23-A35 CarbonylContact O-C 3.51Å; Y23-A35 WeakPolarHBondContact O-CA 3.39Å; A35-V118 WeakPolarHBondContact O-CA 3.36Å; A35-M119 PolarHBondContact N-O 2.96Å; A35-M119 PolarHBondContact O-N 3.49Å; A35-F121 HydrophobicContact CB-CD2 4.2Å
36V96.4Very high92.9Very high0 Ų059 Ų590%029%0.289CS..EExtended strand (participates in β ladder)trans-122.8104.7175176.40000108.8L10 V22 Y23 A25 W116 F117 V118L10-V36 HydrophobicContact CD2-CB 3.92Å; L10-V36 HydrophobicContact CD2-CG1 4.03Å; L10-V36 HydrophobicContact CD2-CG2 4.08Å; V22-V36 WeakPolarHBondContact CA-O 3.42Å; Y23-V36 PolarHBondContact N-O 3.26Å; Y23-V36 PolarHBondContact O-N 3.19Å; A25-V36 HydrophobicContact CB-CB 4.38Å; A25-V36 HydrophobicContact CB-CG2 3.52Å; V36-W116 HydrophobicContact CG1-CB 4.48Å; V36-W116 HydrophobicContact CG1-CD2 4.31Å; V36-W116 HydrophobicContact CG1-CE3 3.48Å; V36-W116 VanDerWaalsContact CG1-CE3 3.48Å; V36-W116 HydrophobicContact CG1-CZ3 4.1Å; V36-F117 CarbonylContact C-O 3.58Å; V36-F117 WeakPolarHBondContact CA-O 3.46Å; V36-V118 HydrophobicContact CG2-CG2 4.43Å
37K95.2Very high92.7Very high18 Ų1856.5 Ų56.58%0.07828%0.276CS..EExtended strand (participates in β ladder)trans-85.3115170.8-174.2-177.2-167.2-172.80108.3V22 I39 E53 W116 F117 M119 D190V22-K37 HydrophobicContact CG2-CB 4.08Å; V22-K37 HydrophobicContact CG2-CG 3.97Å; K37-I39 HydrophobicContact CD-CD1 4.36Å; K37-I39 HydrophobicContact CG-CG1 4.26Å; K37-E53 IonicContact NZ-OE1 2.85Å; K37-E53 PolarHBondContact NZ-OE1 3.37Å; K37-E53 IonicContact NZ-OE2 3.11Å; K37-E53 PolarHBondContact NZ-OE2 2.81Å; K37-W116 CarbonylContact O-C 3.49Å; K37-W116 WeakPolarHBondContact O-CA 3.41Å; K37-F117 HydrophobicContact CB-CB 4.2Å; K37-F117 PolarHBondContact N-O 2.85Å; K37-F117 PolarHBondContact O-N 2.8Å; K37-M119 HydrophobicContact CB-CE 3.67Å; K37-M119 HydrophobicContact CD-CE 4.42Å; K37-D190 IonicContact NZ-OD1 3.38Å; K37-D190 PolarHBondContact NZ-OD1 3.35Å; K37-D190 IonicContact NZ-OD2 2.82Å
38K94.4Very high92.5Very high51 Ų5158.7 Ų58.722%0.22229%0.285CS..EExtended strand (participates in β ladder)trans-104.7115.8178.8-172.6177.2-178.7177.40109.3G20 V21 Y23 Y114 L115 W116G20-K38 WeakPolarHBondContact CA-O 3.46Å; V21-K38 PolarHBondContact N-O 2.79Å; V21-K38 PolarHBondContact O-N 3.25Å; Y23-K38 HydrophobicContact CD2-CB 4.48Å; Y23-K38 HydrophobicContact CE2-CB 4.19Å; K38-Y114 HydrophobicContact CD-CD1 4.21Å; K38-Y114 HydrophobicContact CG-CD1 3.95Å; K38-Y114 HydrophobicContact CG-CG 4.47Å; K38-L115 WeakPolarHBondContact CA-O 3.23Å; K38-W116 HydrophobicContact CD-CD2 4.44Å; K38-W116 HydrophobicContact CD-CH2 4.27Å; K38-W116 HydrophobicContact CD-CZ2 3.76Å; K38-W116 VanDerWaalsContact CE-CZ2 3.49Å; K38-W116 HydrophobicContact CG-CD2 4.37Å; K38-W116 HydrophobicContact CG-CZ2 4.5Å
39I93.3Very high92.3Very high3 Ų354.6 Ų54.62%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-109.3130.1178.9-60.9-178.1000108.7Y19 K37 A50 Y114 L115 F117Y19-I39 WeakPolarHBondContact O-CG2 3.16Å; K37-I39 HydrophobicContact CD-CD1 4.36Å; K37-I39 HydrophobicContact CG-CG1 4.26Å; I39-A50 HydrophobicContact CB-CB 4.43Å; I39-A50 HydrophobicContact CD1-CB 4.01Å; I39-A50 HydrophobicContact CG2-CB 3.98Å; I39-Y114 CarbonylContact O-C 3.47Å; I39-Y114 WeakPolarHBondContact O-CA 3.1Å; I39-L115 PolarHBondContact N-O 2.85Å; I39-L115 PolarHBondContact O-N 2.84Å; I39-F117 HydrophobicContact CD1-CD2 4.28Å; I39-F117 HydrophobicContact CD1-CE2 3.75Å; I39-F117 HydrophobicContact CG1-CE2 4.3Å
40R92.9Very high92.3Very high134 Ų13443.2 Ų43.251%0.50623%0.225SC..EExtended strand (participates in β ladder)trans-91.1120.3175.7-172.5176.9175.3-171.22.1109.8H42 N46 Y114R40-H42 VanDerWaalsContact C-N 3.29Å; R40-H42 HydrophobicContact CG-CB 4.16Å; R40-H42 PolarHBondContact O-N 2.88Å; R40-N46 PolarHBondContact O-ND2 2.86Å; R40-Y114 HydrophobicContact CB-CD1 3.83Å; R40-Y114 HydrophobicContact CB-CE1 3.61Å; R40-Y114 HydrophobicContact CG-CD1 4.07Å; R40-Y114 HydrophobicContact CG-CE1 3.59Å
41C91.8Very high92.2Very high3 Ų338.4 Ų38.42%0.0220%0.195CC..  trans-84.668.4179.5-63.60000110.1V47 L96 F107 Y113C41-V47 HydrophobicContact CB-CG2 3.63Å; C41-L96 HydrophobicContact CB-CD2 4.15Å; C41-F107 HydrophobicContact CB-CZ 4.28Å; C41-F107 VanDerWaalsContact O-CZ 3.29Å; C41-F107 WeakPolarHBondContact O-CZ 3.28Å; C41-Y113 PolarHBondContact N-O 3.01Å
42H89.8Confident92Very high108 Ų10838 Ų3850%0.518%0.179SC..  trans-107.1-5.6-178.466.365.5000114R40 N46R40-H42 VanDerWaalsContact C-N 3.29Å; R40-H42 HydrophobicContact CG-CB 4.16Å; R40-H42 PolarHBondContact O-N 2.88Å; H42-N46 PolarHBondContact CE1-ND2 3.27Å; H42-N46 PolarHBondContact NE2-ND2 3.03Å
43S89.4Confident92Very high23 Ų2336 Ų3616%0.16116%0.163CC..SBendtrans-142.7155.317481.70000109.8E45 N46 V47S43-E45 WeakPolarHBondContact CB-OE2 3.4Å; S43-E45 PolarHBondContact O-N 2.48Å; S43-E45 PolarHBondContact OG-OE2 3Å; S43-N46 PolarHBondContact O-N 3.45Å; S43-N46 PolarHBondContact OG-N 2.61Å; S43-V47 WeakPolarHBondContact O-CG2 3.46Å; S43-V47 PolarHBondContact O-N 3.18Å; S43-V47 VanDerWaalsContact O-N 3.12Å
44P89.1Confident91.9Very high21 Ų2130.9 Ų30.914%0.13614%0.143CC..Hα-helixtrans-57.1-36.5178.7-24.235000113V47 E48 T99 G103 I105P44-V47 PolarHBondContact O-N 2.93Å; P44-E48 WeakPolarHBondContact O-CB 3.48Å; P44-E48 PolarHBondContact O-N 3.41Å; P44-T99 HydrophobicContact CB-CG2 4.38Å; P44-G103 VanDerWaalsContact CG-C 3.42Å; P44-G103 VanDerWaalsContact CG-O 3.3Å; P44-G103 WeakPolarHBondContact CG-O 3.37Å; P44-I105 HydrophobicContact CG-CD1 4.41Å
45E87.7Confident91.6Very high112 Ų11233.5 Ų33.552%0.52315%0.152SC..Hα-helixtrans-65.6-44.1179.4-52.177.5-168.600111.3S43 V47 E48 L49S43-E45 WeakPolarHBondContact CB-OE2 3.4Å; S43-E45 PolarHBondContact O-N 2.48Å; S43-E45 PolarHBondContact OG-OE2 3Å; E45-V47 VanDerWaalsContact C-N 3.31Å; E45-V47 PolarHBondContact O-N 3.21Å; E45-E48 PolarHBondContact O-N 3.16Å; E45-L49 VanDerWaalsContact O-CG 3.29Å; E45-L49 WeakPolarHBondContact O-CG 3.35Å; E45-L49 PolarHBondContact O-N 2.88Å
46N88.5Confident91.4Very high16 Ų1633 Ų339%0.08615%0.148CC..Hα-helixtrans-64.4-37.7176.1-78.60.5000111.9R40 H42 S43 A50R40-N46 PolarHBondContact O-ND2 2.86Å; H42-N46 PolarHBondContact CE1-ND2 3.27Å; H42-N46 PolarHBondContact NE2-ND2 3.03Å; S43-N46 PolarHBondContact O-N 3.45Å; S43-N46 PolarHBondContact OG-N 2.61Å; N46-A50 VanDerWaalsContact O-CB 3.28Å; N46-A50 WeakPolarHBondContact O-CB 3.25Å; N46-A50 PolarHBondContact O-N 2.84Å
47V91.3Very high91.2Very high0 Ų033.5 Ų33.50%015%0.15CC..Hα-helixtrans-64.8-46.2175.6173.40000110.5C41 S43 P44 E45 A50 L51 L96 T99 F107C41-V47 HydrophobicContact CB-CG2 3.63Å; S43-V47 WeakPolarHBondContact O-CG2 3.46Å; S43-V47 PolarHBondContact O-N 3.18Å; S43-V47 VanDerWaalsContact O-N 3.12Å; P44-V47 PolarHBondContact O-N 2.93Å; E45-V47 VanDerWaalsContact C-N 3.31Å; E45-V47 PolarHBondContact O-N 3.21Å; V47-A50 PolarHBondContact O-N 2.87Å; V47-L51 HydrophobicContact CG1-CD1 3.94Å; V47-L51 HydrophobicContact CG1-CG 4.34Å; V47-L51 WeakPolarHBondContact O-CB 3.46Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 2.78Å; V47-L96 HydrophobicContact CG1-CB 4.02Å; V47-L96 HydrophobicContact CG1-CD2 4.01Å; V47-L96 WeakPolarHBondContact CG1-O 3.46Å; V47-L96 HydrophobicContact CG2-CD2 4.07Å; V47-T99 HydrophobicContact CB-CG2 3.98Å; V47-T99 HydrophobicContact CG1-CG2 4.02Å; V47-T99 HydrophobicContact CG2-CG2 3.88Å; V47-F107 HydrophobicContact CG2-CZ 4.47Å
48E90Very high91Very high67 Ų6734.8 Ų34.831%0.31316%0.162SC..Hα-helixtrans-59.4-49.2178.3-178.5177.2-17000111.7P44 E45 A50 L51 R52P44-E48 WeakPolarHBondContact O-CB 3.48Å; P44-E48 PolarHBondContact O-N 3.41Å; E45-E48 PolarHBondContact O-N 3.16Å; E48-A50 PolarHBondContact O-N 2.89Å; E48-L51 PolarHBondContact O-N 2.85Å; E48-R52 WeakPolarHBondContact O-CB 3.06Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.14Å; E48-R52 PolarHBondContact O-N 2.86Å; E48-R52 IonicContact OE1-CZ 3.31Å; E48-R52 IonicContact OE1-NE 2.69Å; E48-R52 PolarHBondContact OE1-NE 3.16Å; E48-R52 IonicContact OE1-NH2 2.74Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å
49L87.9Confident90.8Very high17 Ų1734.2 Ų34.29%0.08916%0.164CC..Hα-helixtrans-62-42.2179-68.5171.6000112.1Y19 E45 R52 E53 G192 L193Y19-L49 HydrophobicContact CD1-CD1 3.34Å; Y19-L49 HydrophobicContact CD2-CD1 3.77Å; Y19-L49 HydrophobicContact CE1-CD1 3.26Å; Y19-L49 HydrophobicContact CE2-CD1 3.68Å; Y19-L49 HydrophobicContact CG-CD1 3.59Å; Y19-L49 VanDerWaalsContact CZ-CD1 3.43Å; E45-L49 VanDerWaalsContact O-CG 3.29Å; E45-L49 WeakPolarHBondContact O-CG 3.35Å; E45-L49 PolarHBondContact O-N 2.88Å; L49-R52 PolarHBondContact O-N 2.93Å; L49-E53 PolarHBondContact O-N 3.48Å; L49-G192 VanDerWaalsContact CD2-O 3.28Å; L49-G192 WeakPolarHBondContact CD2-O 3.23Å; L49-L193 HydrophobicContact CD2-CD2 3.57Å
50A91.2Very high90.7Very high0 Ų035.8 Ų35.80%017%0.172CC..Hα-helixtrans-66.7-39.6177.200000112.2I39 N46 V47 E48 E53 F54 L115 F117I39-A50 HydrophobicContact CB-CB 4.43Å; I39-A50 HydrophobicContact CD1-CB 4.01Å; I39-A50 HydrophobicContact CG2-CB 3.98Å; N46-A50 VanDerWaalsContact O-CB 3.28Å; N46-A50 WeakPolarHBondContact O-CB 3.25Å; N46-A50 PolarHBondContact O-N 2.84Å; V47-A50 PolarHBondContact O-N 2.87Å; E48-A50 PolarHBondContact O-N 2.89Å; A50-E53 PolarHBondContact O-N 3.48Å; A50-F54 WeakPolarHBondContact O-CB 2.98Å; A50-F54 PolarHBondContact O-N 3.33Å; A50-L115 HydrophobicContact CB-CB 4.47Å; A50-L115 HydrophobicContact CB-CD1 3.45Å; A50-L115 VanDerWaalsContact CB-CD1 3.45Å; A50-F117 HydrophobicContact CB-CE2 4.47Å; A50-F117 HydrophobicContact CB-CZ 4.41Å; A50-F117 WeakPolarHBondContact O-CZ 3.22Å
51L91.6Very high90.3Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-66.3-40.2175-74.7176.9000111.8V47 E48 F54 W55 Y93 L96 V97V47-L51 HydrophobicContact CG1-CD1 3.94Å; V47-L51 HydrophobicContact CG1-CG 4.34Å; V47-L51 WeakPolarHBondContact O-CB 3.46Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 2.78Å; E48-L51 PolarHBondContact O-N 2.85Å; L51-F54 PolarHBondContact O-N 3.16Å; L51-W55 HydrophobicContact CB-CD2 4.4Å; L51-W55 HydrophobicContact CB-CE3 4.32Å; L51-W55 HydrophobicContact CB-CH2 3.99Å; L51-W55 HydrophobicContact CB-CZ2 4.06Å; L51-W55 HydrophobicContact CB-CZ3 4.12Å; L51-W55 HydrophobicContact CD1-CH2 4.17Å; L51-W55 HydrophobicContact CD1-CZ2 4.18Å; L51-W55 HydrophobicContact CD2-CZ2 4.34Å; L51-W55 HydrophobicContact CG-CZ2 4.44Å; L51-W55 WeakPolarHBondContact O-CB 3.32Å; L51-W55 VanDerWaalsContact O-CD2 3.25Å; L51-W55 PolarHBondContact O-N 2.83Å; L51-Y93 HydrophobicContact CD2-CE2 4.09Å; L51-L96 HydrophobicContact CD1-CB 4.3Å; L51-L96 HydrophobicContact CD2-CB 4.39Å; L51-V97 HydrophobicContact CD1-CG2 4.29Å
52R90Very high90.3Very high38 Ų3841.3 Ų41.314%0.14321%0.211CC..Hα-helixtrans-58.5-47.9173.8-74.8173.7179.2-168.8-0.6111.6E48 L49 F54 W55 A56E48-R52 WeakPolarHBondContact O-CB 3.06Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.14Å; E48-R52 PolarHBondContact O-N 2.86Å; E48-R52 IonicContact OE1-CZ 3.31Å; E48-R52 IonicContact OE1-NE 2.69Å; E48-R52 PolarHBondContact OE1-NE 3.16Å; E48-R52 IonicContact OE1-NH2 2.74Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å; L49-R52 PolarHBondContact O-N 2.93Å; R52-F54 PolarHBondContact O-N 3.44Å; R52-W55 PolarHBondContact O-N 3.23Å; R52-A56 WeakPolarHBondContact O-CB 3.28Å; R52-A56 PolarHBondContact O-N 3.24Å
53E92.3Very high90.4Very high3 Ų343.1 Ų43.11%0.01422%0.22CC..Hα-helixtrans-60.2-45.4176.2-174.1160.4-161.300111.5K37 L49 A50 A56 L57 F117 F191K37-E53 IonicContact NZ-OE1 2.85Å; K37-E53 PolarHBondContact NZ-OE1 3.37Å; K37-E53 IonicContact NZ-OE2 3.11Å; K37-E53 PolarHBondContact NZ-OE2 2.81Å; L49-E53 PolarHBondContact O-N 3.48Å; A50-E53 PolarHBondContact O-N 3.48Å; E53-A56 PolarHBondContact O-N 2.95Å; E53-L57 HydrophobicContact CG-CD1 3.88Å; E53-L57 WeakPolarHBondContact O-CB 3.44Å; E53-L57 PolarHBondContact O-N 2.84Å; E53-F117 HydrophobicContact CB-CE1 4.09Å; E53-F117 HydrophobicContact CB-CZ 4.16Å; E53-F117 HydrophobicContact CG-CD1 4.17Å; E53-F117 HydrophobicContact CG-CE1 3.84Å; E53-F117 HydrophobicContact CG-CZ 4.23Å; E53-F191 HydrophobicContact CG-CB 4.18Å
54F93.1Very high90.7Very high4 Ų443.5 Ų43.52%0.01822%0.219CC..Hα-helixtrans-61-47.8177.2174.1-113.6000112.1A50 L51 R52 S58 C73 M84 Y93 F117A50-F54 WeakPolarHBondContact O-CB 2.98Å; A50-F54 PolarHBondContact O-N 3.33Å; L51-F54 PolarHBondContact O-N 3.16Å; R52-F54 PolarHBondContact O-N 3.44Å; F54-S58 WeakPolarHBondContact O-CB 3.39Å; F54-S58 PolarHBondContact O-N 3.47Å; F54-S58 PolarHBondContact O-OG 3.37Å; F54-C73 HydrophobicContact CD2-CB 3.55Å; F54-C73 HydrophobicContact CE2-CB 3.75Å; F54-M84 HydrophobicContact CD1-CE 3.83Å; F54-M84 HydrophobicContact CD2-CB 4.34Å; F54-M84 HydrophobicContact CE1-CB 4.32Å; F54-M84 HydrophobicContact CE1-CE 3.8Å; F54-M84 HydrophobicContact CE2-CB 3.61Å; F54-M84 HydrophobicContact CG-CE 4.26Å; F54-M84 HydrophobicContact CZ-CB 3.6Å; F54-M84 HydrophobicContact CZ-CE 4.23Å; F54-Y93 HydrophobicContact CE1-CE2 4.2Å; F54-F117 HydrophobicContact CB-CE1 3.87Å; F54-F117 HydrophobicContact CB-CZ 4.23Å
55W91.4Very high91Very high76 Ų7646.5 Ų46.529%0.28824%0.239SC..Hα-helixtrans-66.2-39.3179.3-64.7-29.5000112.4L51 R52 S59 H86 Y93 V97L51-W55 HydrophobicContact CB-CD2 4.4Å; L51-W55 HydrophobicContact CB-CE3 4.32Å; L51-W55 HydrophobicContact CB-CH2 3.99Å; L51-W55 HydrophobicContact CB-CZ2 4.06Å; L51-W55 HydrophobicContact CB-CZ3 4.12Å; L51-W55 HydrophobicContact CD1-CH2 4.17Å; L51-W55 HydrophobicContact CD1-CZ2 4.18Å; L51-W55 HydrophobicContact CD2-CZ2 4.34Å; L51-W55 HydrophobicContact CG-CZ2 4.44Å; L51-W55 WeakPolarHBondContact O-CB 3.32Å; L51-W55 VanDerWaalsContact O-CD2 3.25Å; L51-W55 PolarHBondContact O-N 2.83Å; R52-W55 PolarHBondContact O-N 3.23Å; W55-S59 VanDerWaalsContact O-CB 3.27Å; W55-S59 WeakPolarHBondContact O-CB 3.31Å; W55-S59 PolarHBondContact O-N 2.71Å; W55-S59 VanDerWaalsContact O-N 3.13Å; W55-S59 PolarHBondContact O-OG 3.49Å; W55-H86 AromaticContact CD1-CD2 3.75Å; W55-Y93 PolarHBondContact NE1-OH 2.88Å; W55-V97 HydrophobicContact CZ2-CG2 4.27Å
56A91.7Very high91.5Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-61.1-56.5175.900000110.7R52 E53 S58 S59 I160 F191 V196R52-A56 WeakPolarHBondContact O-CB 3.28Å; R52-A56 PolarHBondContact O-N 3.24Å; E53-A56 PolarHBondContact O-N 2.95Å; A56-S58 PolarHBondContact O-N 3.29Å; A56-S59 PolarHBondContact O-N 3.37Å; A56-S59 PolarHBondContact O-OG 2.77Å; A56-I160 WeakPolarHBondContact O-CD1 3.33Å; A56-F191 HydrophobicContact CB-CB 3.91Å; A56-F191 HydrophobicContact CB-CD1 4.17Å; A56-F191 HydrophobicContact CB-CG 4.39Å; A56-V196 HydrophobicContact CB-CG2 4.16Å
57L92.4Very high91.9Very high9 Ų941.3 Ų41.35%0.04721%0.214CC..Hα-helixtrans-68.3-35.4-176.4-70.8171.2000113.2E53 S59 I60 I68 L70 F117 M119 F191E53-L57 HydrophobicContact CG-CD1 3.88Å; E53-L57 WeakPolarHBondContact O-CB 3.44Å; E53-L57 PolarHBondContact O-N 2.84Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-I60 HydrophobicContact CD2-CD1 4.48Å; L57-I68 HydrophobicContact CD2-CG2 3.96Å; L57-L70 HydrophobicContact CB-CB 3.93Å; L57-L70 HydrophobicContact CB-CD2 3.61Å; L57-L70 HydrophobicContact CB-CG 4.34Å; L57-L70 HydrophobicContact CD1-CB 4.25Å; L57-L70 HydrophobicContact CD1-CD1 4.41Å; L57-L70 HydrophobicContact CD1-CD2 4.38Å; L57-F117 HydrophobicContact CD1-CD1 4.45Å; L57-M119 HydrophobicContact CD1-SD 4.35Å; L57-F191 HydrophobicContact CD1-CD2 4.46Å; L57-F191 HydrophobicContact CD2-CD2 3.55Å; L57-F191 HydrophobicContact CD2-CE2 3.82Å; L57-F191 HydrophobicContact CD2-CG 4.06Å; L57-F191 HydrophobicContact CG-CB 4.31Å; L57-F191 HydrophobicContact CG-CD2 4.04Å; L57-F191 HydrophobicContact CG-CG 4.22Å
58S91.4Very high92.1Very high45 Ų4541.6 Ų41.632%0.31522%0.216SC..Hα-helixtrans-77.8-15.7179.164.50000114.4F54 A56 I60F54-S58 WeakPolarHBondContact O-CB 3.39Å; F54-S58 PolarHBondContact O-N 3.47Å; F54-S58 PolarHBondContact O-OG 3.37Å; A56-S58 PolarHBondContact O-N 3.29Å; S58-I60 VanDerWaalsContact C-N 3.32Å
59S90.3Very high92.4Very high40 Ų4040.3 Ų40.328%0.2821%0.21SC..Hα-helixtrans-79.8-15.3175.666.90000113.3W55 A56 L57 Q61W55-S59 VanDerWaalsContact O-CB 3.27Å; W55-S59 WeakPolarHBondContact O-CB 3.31Å; W55-S59 PolarHBondContact O-N 2.71Å; W55-S59 VanDerWaalsContact O-N 3.13Å; W55-S59 PolarHBondContact O-OG 3.49Å; A56-S59 PolarHBondContact O-N 3.37Å; A56-S59 PolarHBondContact O-OG 2.77Å; L57-S59 VanDerWaalsContact C-N 3.34Å; S59-Q61 PolarHBondContact O-N 2.98Å
60I90.3Very high92.7Very high35 Ų3540.8 Ų40.818%0.17921%0.213CC..  trans-71.9114.7177.7-62.5174.2000110L57 S58 S62 V67 F154 L155 I160L57-I60 HydrophobicContact CD2-CD1 4.48Å; S58-I60 VanDerWaalsContact C-N 3.32Å; I60-S62 WeakPolarHBondContact CG2-O 3.24Å; I60-V67 HydrophobicContact CD1-CG1 4.19Å; I60-F154 HydrophobicContact CG2-CE1 3.85Å; I60-F154 HydrophobicContact CG2-CZ 3.7Å; I60-L155 HydrophobicContact CD1-CD2 4.47Å; I60-I160 HydrophobicContact CD1-CD1 3.92Å; I60-I160 HydrophobicContact CG1-CD1 3.47Å; I60-I160 VanDerWaalsContact CG1-CD1 3.47Å
61Q85.3Confident92.8Very high185 Ų18544.8 Ų44.886%0.86423%0.231SC*.  trans-85.7-21.7-175.5-63.7-178.6-2.500114.2S59S59-Q61 PolarHBondContact O-N 2.98Å
62S90.9Very high92.9Very high68 Ų6845.7 Ų45.748%0.47624%0.235SC..SBendtrans-134.3144.5-17856.40000110.8I60 F154I60-S62 WeakPolarHBondContact CG2-O 3.24Å; S62-F154 WeakPolarHBondContact O-CZ 3.13Å
63Q92.5Very high93.2Very high146 Ų14644 Ų4468%0.68223%0.229SC*.  trans-71.8143.1177.5-67.8-179.7-1.800110.8H69Q63-H69 PolarHBondContact NE2-CD2 3.49Å; Q63-H69 VanDerWaalsContact NE2-CD2 3.29Å; Q63-H69 PolarHBondContact NE2-CE1 3.03Å; Q63-H69 VanDerWaalsContact NE2-CE1 3.35Å; Q63-H69 PolarHBondContact NE2-NE2 2.83Å
64H96.1Very high93.3Very high31 Ų3145 Ų4514%0.14424%0.236CC..  trans-121.4135.2171.5-170.1-91.2000109.4N66 V67 S150 F154H64-N66 PolarHBondContact ND1-N 3.49Å; H64-N66 VanDerWaalsContact ND1-N 3.13Å; H64-N66 PolarHBondContact O-N 3.22Å; H64-N66 VanDerWaalsContact O-N 3.14Å; H64-V67 HydrophobicContact CB-CB 4.21Å; H64-V67 HydrophobicContact CB-CG2 4.21Å; H64-V67 PolarHBondContact O-N 3.27Å; H64-S150 PolarHBondContact NE2-OG 3.38Å; H64-F154 HydrophobicContact CB-CD1 3.68Å; H64-F154 HydrophobicContact CB-CD2 3.9Å; H64-F154 HydrophobicContact CB-CE1 3.72Å; H64-F154 HydrophobicContact CB-CE2 3.95Å; H64-F154 HydrophobicContact CB-CG 3.77Å; H64-F154 HydrophobicContact CB-CZ 3.86Å; H64-F154 AromaticContact CD2-CD2 3.59Å; H64-F154 AromaticContact CD2-CG 3.61Å; H64-F154 AromaticContact CG-CD1 3.97Å; H64-F154 AromaticContact CG-CD2 3.94Å; H64-F154 AromaticContact CG-CG 3.67Å
65P95.5Very high93.3Very high85 Ų8544.8 Ų44.855%0.55224%0.235SC*.THydrogen-bonded Turntrans-59.9-29.5-176.523.2-34.5000113.2K187P65-K187 WeakPolarHBondContact O-CE 3.26Å; P65-K187 WeakPolarHBondContact O-CG 3.44Å; P65-K187 PolarHBondContact O-NZ 3.41Å
66N97.4Very high93.3Very high13 Ų1343.1 Ų43.17%0.0723%0.23CC..THydrogen-bonded Turntrans-103.614.6-175.8-54.3117.5000115.5H64 Q147 A151 L186 K187 V188H64-N66 PolarHBondContact ND1-N 3.49Å; H64-N66 VanDerWaalsContact ND1-N 3.13Å; H64-N66 PolarHBondContact O-N 3.22Å; H64-N66 VanDerWaalsContact O-N 3.14Å; N66-Q147 WeakPolarHBondContact ND2-CG 3.42Å; N66-Q147 PolarHBondContact ND2-OE1 3.33Å; N66-A151 HydrophobicContact CB-CB 3.77Å; N66-A151 WeakPolarHBondContact O-CB 3.41Å; N66-L186 VanDerWaalsContact CA-O 3.25Å; N66-L186 WeakPolarHBondContact CA-O 3.45Å; N66-L186 HydrophobicContact CB-CD1 4.16Å; N66-L186 PolarHBondContact ND2-O 3.23Å; N66-K187 WeakPolarHBondContact O-CA 3.05Å; N66-V188 PolarHBondContact O-N 3.21Å
67V97.4Very high93.3Very high5 Ų546.9 Ų46.93%0.0324%0.244CC..BIsolated β-bridgetrans-122.4141.2170.5177.10000107.9I60 H64 H69 A151 F154 L155 F191I60-V67 HydrophobicContact CD1-CG1 4.19Å; H64-V67 HydrophobicContact CB-CB 4.21Å; H64-V67 HydrophobicContact CB-CG2 4.21Å; H64-V67 PolarHBondContact O-N 3.27Å; V67-H69 PolarHBondContact O-N 3.28Å; V67-A151 HydrophobicContact CG2-CB 4.15Å; V67-F154 HydrophobicContact CG2-CD1 3.86Å; V67-F154 HydrophobicContact CG2-CE1 4.4Å; V67-L155 HydrophobicContact CG1-CD2 4.06Å; V67-L155 HydrophobicContact CG2-CD2 4.05Å; V67-L155 HydrophobicContact CG2-CG 4.12Å; V67-F191 HydrophobicContact CG1-CE2 4.31Å; V67-F191 HydrophobicContact CG1-CZ 3.82Å
68I95.9Very high93.1Very high6 Ų649.5 Ų49.53%0.03126%0.258CS..  trans-61.5131.4178.2-160.271.3000109.9L57 M119 D120 L171 K187 V188 A189 F191L57-I68 HydrophobicContact CD2-CG2 3.96Å; I68-M119 HydrophobicContact CG1-CB 4.06Å; I68-M119 HydrophobicContact CG1-SD 4.27Å; I68-M119 HydrophobicContact CG2-SD 4.44Å; I68-D120 HydrophobicContact CD1-CB 3.91Å; I68-L171 HydrophobicContact CD1-CD1 4.34Å; I68-K187 HydrophobicContact CD1-CB 4.4Å; I68-K187 HydrophobicContact CD1-CD 4.26Å; I68-V188 WeakPolarHBondContact CB-O 3.25Å; I68-V188 PolarHBondContact N-O 2.78Å; I68-A189 HydrophobicContact CB-CB 4.12Å; I68-A189 HydrophobicContact CG2-CB 4.21Å; I68-F191 HydrophobicContact CG2-CD2 4.24Å; I68-F191 HydrophobicContact CG2-CE2 3.78Å
69H95.1Very high92.8Very high41 Ų4155.3 Ų55.319%0.1929%0.286CS..  trans-89.3132.4177.8170.6-111.6000110.4Q63 V67 E71 M119 D120Q63-H69 PolarHBondContact NE2-CD2 3.49Å; Q63-H69 VanDerWaalsContact NE2-CD2 3.29Å; Q63-H69 PolarHBondContact NE2-CE1 3.03Å; Q63-H69 VanDerWaalsContact NE2-CE1 3.35Å; Q63-H69 PolarHBondContact NE2-NE2 2.83Å; V67-H69 PolarHBondContact O-N 3.28Å; H69-E71 IonicContact CE1-OE2 3.96Å; H69-E71 PolarHBondContact CE1-OE2 3.23Å; H69-M119 WeakPolarHBondContact O-CA 3.31Å; H69-M119 WeakPolarHBondContact O-CB 3.38Å; H69-D120 WeakPolarHBondContact CB-OD2 3.5Å; H69-D120 IonicContact ND1-OD1 3.43Å; H69-D120 PolarHBondContact O-N 3.31Å
70L95.2Very high92.6Very high27 Ų2757.9 Ų57.914%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-94.8109.6170.2179.570.3000109.5L57 E72 C73 F117 M119L57-L70 HydrophobicContact CB-CB 3.93Å; L57-L70 HydrophobicContact CB-CD2 3.61Å; L57-L70 HydrophobicContact CB-CG 4.34Å; L57-L70 HydrophobicContact CD1-CB 4.25Å; L57-L70 HydrophobicContact CD1-CD1 4.41Å; L57-L70 HydrophobicContact CD1-CD2 4.38Å; L70-E72 WeakPolarHBondContact CD1-O 3.4Å; L70-C73 HydrophobicContact CD2-CB 4.45Å; L70-F117 HydrophobicContact CD1-CB 4.03Å; L70-F117 HydrophobicContact CD1-CD1 4.01Å; L70-M119 HydrophobicContact CD1-CG 4.01Å
71E93.5Very high92.5Very high83 Ų8359.2 Ų59.239%0.38831%0.312SS..EExtended strand (participates in β ladder)trans-72.2-48.7175.7174.366-165.600110.9M34 H69 R83 V118M34-E71 HydrophobicContact CE-CB 3.69Å; M34-E71 HydrophobicContact CE-CG 4.07Å; H69-E71 IonicContact CE1-OE2 3.96Å; H69-E71 PolarHBondContact CE1-OE2 3.23Å; E71-R83 PolarHBondContact O-NH2 3.28Å; E71-R83 VanDerWaalsContact O-NH2 3.07Å; E71-V118 HydrophobicContact CB-CB 4.46Å; E71-V118 HydrophobicContact CB-CG1 4.27Å; E71-V118 WeakPolarHBondContact CB-O 3.31Å; E71-V118 PolarHBondContact N-O 2.83Å
72E94Very high92.7Very high20 Ų2052.6 Ų52.69%0.09328%0.282CS..EExtended strand (participates in β ladder)trans-159.5158.5172.564.9-177123.400112K7 Y8 L70 V74 R83 V118K7-E72 WeakPolarHBondContact CE-OE1 3.26Å; K7-E72 IonicContact NZ-OE1 2.97Å; K7-E72 PolarHBondContact NZ-OE1 3.08Å; Y8-E72 HydrophobicContact CE2-CG 4.44Å; Y8-E72 WeakPolarHBondContact CE2-OE1 3.43Å; Y8-E72 VanDerWaalsContact CZ-OE1 3.31Å; Y8-E72 PolarHBondContact OH-OE1 3.39Å; L70-E72 WeakPolarHBondContact CD1-O 3.4Å; E72-V74 HydrophobicContact CG-CG2 4.2Å; E72-R83 HydrophobicContact CB-CG 4.43Å; E72-R83 IonicContact OE2-NE 2.63Å; E72-V118 HydrophobicContact CG-CB 3.97Å; E72-V118 HydrophobicContact CG-CG2 3.78Å; E72-V118 PolarHBondContact N-O 2.93Å; E72-V118 WeakPolarHBondContact O-CB 3.24Å; E72-V118 PolarHBondContact O-N 3.37Å
73C94.9Very high92.7Very high2 Ų257 Ų571%0.01429%0.288CS..EExtended strand (participates in β ladder)trans-115133.4166.3-177.60000109F54 L70 M84 W116 F117F54-C73 HydrophobicContact CD2-CB 3.55Å; F54-C73 HydrophobicContact CE2-CB 3.75Å; L70-C73 HydrophobicContact CD2-CB 4.45Å; C73-M84 HydrophobicContact CB-CB 4.1Å; C73-M84 HydrophobicContact CB-CG 4.46Å; C73-M84 WeakPolarHBondContact O-CB 3.44Å; C73-M84 PolarHBondContact O-N 2.93Å; C73-W116 CarbonylContact C-O 3.58Å; C73-W116 VanDerWaalsContact CA-O 3.26Å; C73-W116 WeakPolarHBondContact CA-O 3.38Å; C73-F117 HydrophobicContact CB-CD1 4.48Å
74V94.1Very high92.6Very high24 Ų2450.6 Ų50.615%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-119.4124.6-179.3-178.80000109.1E72 A81 Q82 W116E72-V74 HydrophobicContact CG-CG2 4.2Å; V74-A81 HydrophobicContact CG1-CB 3.9Å; V74-Q82 CarbonylContact C-O 3.45Å; V74-Q82 WeakPolarHBondContact CA-O 3.45Å; V74-W116 HydrophobicContact CB-CB 4.17Å; V74-W116 PolarHBondContact N-O 2.79Å; V74-W116 PolarHBondContact O-N 3.49Å
75L93.4Very high92.2Very high0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-91.4120.2169.2176.452.5000109A81 Q82 M84 L92 L96 Y113 Y114 L115L75-A81 CarbonylContact O-C 3.6Å; L75-A81 WeakPolarHBondContact O-CA 3.43Å; L75-Q82 HydrophobicContact CB-CG 3.98Å; L75-Q82 PolarHBondContact N-O 2.85Å; L75-Q82 PolarHBondContact O-N 3.4Å; L75-M84 HydrophobicContact CB-CG 3.81Å; L75-M84 HydrophobicContact CB-SD 3.6Å; L75-M84 HydrophobicContact CD2-SD 3.91Å; L75-M84 HydrophobicContact CG-SD 4.39Å; L75-L92 HydrophobicContact CD2-CB 3.71Å; L75-L92 WeakPolarHBondContact CD2-O 3.39Å; L75-L92 HydrophobicContact CG-CB 4.49Å; L75-L96 HydrophobicContact CD1-CD1 3.68Å; L75-L96 HydrophobicContact CD1-CG 4.49Å; L75-L96 HydrophobicContact CD2-CD1 3.69Å; L75-L96 HydrophobicContact CD2-CG 4.26Å; L75-L96 HydrophobicContact CG-CD1 4.33Å; L75-Y113 HydrophobicContact CD1-CD1 4.31Å; L75-Y114 WeakPolarHBondContact CD1-O 3.21Å; L75-L115 HydrophobicContact CB-CD2 3.92Å; L75-L115 HydrophobicContact CD1-CD2 3.95Å; L75-L115 HydrophobicContact CD1-CG 4.25Å; L75-L115 HydrophobicContact CG-CD2 4.46Å
76Q92.2Very high91.3Very high41 Ų4154.4 Ų54.419%0.19228%0.275CS..EExtended strand (participates in β ladder)trans-111.2131.8176.7-177.7-175.417.300110.1D78 L80 Y113 Y114Q76-D78 VanDerWaalsContact CG-O 3.22Å; Q76-D78 WeakPolarHBondContact CG-O 3.4Å; Q76-D78 PolarHBondContact NE2-O 3.4Å; Q76-L80 CarbonylContact C-O 3.45Å; Q76-L80 VanDerWaalsContact CA-O 3.26Å; Q76-L80 WeakPolarHBondContact CA-O 3.15Å; Q76-Y113 CarbonylContact O-C 3.37Å; Q76-Y113 WeakPolarHBondContact O-CA 3.27Å; Q76-Y114 PolarHBondContact N-O 2.74Å; Q76-Y114 PolarHBondContact O-N 2.8Å
77R91.6Very high90.2Very high78 Ų7856.4 Ų56.429%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-123.3111.1164.4-179.5179.981.4-176.23.2108.3D79 L80 L92 C111 A112 Y113R77-D79 PolarHBondContact O-N 3.05Å; R77-L80 PolarHBondContact N-O 2.89Å; R77-L80 WeakPolarHBondContact O-CB 3.39Å; R77-L80 PolarHBondContact O-N 3.43Å; R77-L92 HydrophobicContact CB-CD2 4.22Å; R77-L92 VanDerWaalsContact NH1-CD2 3.32Å; R77-C111 HydrophobicContact CG-CB 4.09Å; R77-A112 WeakPolarHBondContact CA-O 3.43Å; R77-Y113 HydrophobicContact CB-CD1 4.42Å; R77-Y113 HydrophobicContact CB-CE1 4.25Å; R77-Y113 HydrophobicContact CB-CE2 4.35Å; R77-Y113 VanDerWaalsContact CD-CE2 3.41Å; R77-Y113 WeakPolarHBondContact CD-OH 3.3Å; R77-Y113 HydrophobicContact CG-CD2 4.01Å; R77-Y113 HydrophobicContact CG-CE1 4.26Å; R77-Y113 HydrophobicContact CG-CE2 3.57Å; R77-Y113 PolarHBondContact NH1-OH 3.31Å
78D88.3Confident89.4Confident65 Ų6557.6 Ų57.635%0.34831%0.308SS..THydrogen-bonded Turntrans51.3-119.7-173.5-51.1-44.5000110.5Q76 C111 A112Q76-D78 VanDerWaalsContact CG-O 3.22Å; Q76-D78 WeakPolarHBondContact CG-O 3.4Å; Q76-D78 PolarHBondContact NE2-O 3.4Å; D78-C111 PolarHBondContact OD2-SG 2.77Å; D78-A112 PolarHBondContact N-O 2.94Å; D78-A112 PolarHBondContact OD1-N 2.86Å
79D83.9Confident88.8Confident167 Ų16762.4 Ų62.489%0.89334%0.342SS*.THydrogen-bonded Turntrans-87.2-6.7178.2-62.9-40.9000113.9R77R77-D79 PolarHBondContact O-N 3.05Å
80L86.1Confident88.5Confident93 Ų9361.3 Ų61.349%0.48734%0.339SS..EExtended strand (participates in β ladder)trans-87.1124.8178.9-177.265.2000110Q76 R77 L92Q76-L80 CarbonylContact C-O 3.45Å; Q76-L80 VanDerWaalsContact CA-O 3.26Å; Q76-L80 WeakPolarHBondContact CA-O 3.15Å; R77-L80 PolarHBondContact N-O 2.89Å; R77-L80 WeakPolarHBondContact O-CB 3.39Å; R77-L80 PolarHBondContact O-N 3.43Å; L80-L92 HydrophobicContact CD2-CD1 3.87Å; L80-L92 HydrophobicContact CG-CD1 4.49Å
81A88.6Confident88.1Confident64 Ų6464.4 Ų64.453%0.52936%0.36SS..EExtended strand (participates in β ladder)trans-123.1137.4174.900000110.8V74 L75V74-A81 HydrophobicContact CG1-CB 3.9Å; L75-A81 CarbonylContact O-C 3.6Å; L75-A81 WeakPolarHBondContact O-CA 3.43Å
82Q90.1Very high87.8Confident46 Ų4660.9 Ų60.922%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-134.8141.7174.366.317013.200111V74 L75 S90 L92V74-Q82 CarbonylContact C-O 3.45Å; V74-Q82 WeakPolarHBondContact CA-O 3.45Å; L75-Q82 HydrophobicContact CB-CG 3.98Å; L75-Q82 PolarHBondContact N-O 2.85Å; L75-Q82 PolarHBondContact O-N 3.4Å; Q82-S90 VanDerWaalsContact CD-OG 3.24Å; Q82-S90 PolarHBondContact NE2-OG 3.01Å; Q82-S90 PolarHBondContact OE1-OG 3.27Å; Q82-L92 HydrophobicContact CG-CD1 4.22Å
83R91.8Very high87.7Confident161 Ų16160.7 Ų60.761%0.60834%0.343SS*.EExtended strand (participates in β ladder)trans-70.7133.9170.5-170.5176.3-174.3-1757.9109.3E71 E72E71-R83 PolarHBondContact O-NH2 3.28Å; E71-R83 VanDerWaalsContact O-NH2 3.07Å; E72-R83 HydrophobicContact CB-CG 4.43Å; E72-R83 IonicContact OE2-NE 2.63Å
84M90.3Very high87.5Confident11 Ų1164.8 Ų64.85%0.05436%0.364CS..  trans-79.9141.7176-68.6-83.9-72.900110.3F54 C73 L75 Y93 L115F54-M84 HydrophobicContact CD1-CE 3.83Å; F54-M84 HydrophobicContact CD2-CB 4.34Å; F54-M84 HydrophobicContact CE1-CB 4.32Å; F54-M84 HydrophobicContact CE1-CE 3.8Å; F54-M84 HydrophobicContact CE2-CB 3.61Å; F54-M84 HydrophobicContact CG-CE 4.26Å; F54-M84 HydrophobicContact CZ-CB 3.6Å; F54-M84 HydrophobicContact CZ-CE 4.23Å; C73-M84 HydrophobicContact CB-CB 4.1Å; C73-M84 HydrophobicContact CB-CG 4.46Å; C73-M84 WeakPolarHBondContact O-CB 3.44Å; C73-M84 PolarHBondContact O-N 2.93Å; L75-M84 HydrophobicContact CB-CG 3.81Å; L75-M84 HydrophobicContact CB-SD 3.6Å; L75-M84 HydrophobicContact CD2-SD 3.91Å; L75-M84 HydrophobicContact CG-SD 4.39Å; M84-Y93 HydrophobicContact CE-CD2 3.28Å; M84-Y93 HydrophobicContact CE-CE2 3.5Å; M84-Y93 VanDerWaalsContact CE-CE2 3.5Å; M84-Y93 HydrophobicContact SD-CD2 3.7Å; M84-Y93 HydrophobicContact SD-CE2 4.46Å; M84-Y93 HydrophobicContact SD-CG 4.5Å; M84-L115 HydrophobicContact CE-CD2 3.96Å; M84-L115 HydrophobicContact CG-CD2 4.09Å; M84-L115 HydrophobicContact SD-CD2 4.19Å
85S86.3Confident87.3Confident65 Ų6565.9 Ų65.946%0.45537%0.368SS..  trans-137.9137.7170.560.60000108.9G87 S88S85-G87 PolarHBondContact O-N 2.55Å; S85-S88 WeakPolarHBondContact O-CB 3.46Å; S85-S88 PolarHBondContact O-N 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.24Å
86H78.1Confident87.2Confident130 Ų13065.9 Ų65.960%0.60237%0.368SS*.THydrogen-bonded Turntrans-58.7134.3177.1-170.4-80.2000110.1W55 S88W55-H86 AromaticContact CD1-CD2 3.75Å; H86-S88 VanDerWaalsContact C-N 3.26Å; H86-S88 PolarHBondContact O-N 3.12Å
87G73.9Confident87.2Confident56 Ų5665.3 Ų65.358%0.57737%0.367SS*.THydrogen-bonded Turntrans71.315.3-176.400000115.1S85S85-G87 PolarHBondContact O-N 2.55Å
88S80.6Confident87.2Confident29 Ų2965.5 Ų65.520%0.20337%0.371CS..  trans-58138.3173.2-175.10000111.5S85 H86 S90 Y93S85-S88 WeakPolarHBondContact O-CB 3.46Å; S85-S88 PolarHBondContact O-N 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.24Å; H86-S88 VanDerWaalsContact C-N 3.26Å; H86-S88 PolarHBondContact O-N 3.12Å; S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 WeakPolarHBondContact OG-CB 3.46Å; S88-S90 PolarHBondContact OG-N 2.85Å; S88-S90 VanDerWaalsContact OG-N 3.15Å; S88-Y93 WeakPolarHBondContact O-CD1 3.43Å
89S82.9Confident87.3Confident108 Ų10862.4 Ų62.476%0.75536%0.355SS*.  trans-91.916.4170.1-46.20000112.6
90S88.4Confident87.6Confident18 Ų1855.5 Ų55.513%0.12632%0.32CS..  trans-62.4131.3177.21730000110.8Q82 S88 L92 Y93 L94Q82-S90 VanDerWaalsContact CD-OG 3.24Å; Q82-S90 PolarHBondContact NE2-OG 3.01Å; Q82-S90 PolarHBondContact OE1-OG 3.27Å; S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 WeakPolarHBondContact OG-CB 3.46Å; S88-S90 PolarHBondContact OG-N 2.85Å; S88-S90 VanDerWaalsContact OG-N 3.15Å; S90-L92 VanDerWaalsContact C-N 3.27Å; S90-L92 PolarHBondContact O-N 2.88Å; S90-Y93 WeakPolarHBondContact O-CB 3.27Å; S90-Y93 PolarHBondContact O-N 2.98Å; S90-L94 PolarHBondContact O-N 3.31Å
91P87.3Confident87.7Confident91 Ų9157.9 Ų57.959%0.59133%0.332SS*.Hα-helixtrans-53.1-42.6178-27.334.6000113.2Y93 L94 E95P91-Y93 VanDerWaalsContact C-N 3.29Å; P91-Y93 PolarHBondContact O-N 3.13Å; P91-L94 PolarHBondContact O-N 3.44Å; P91-E95 WeakPolarHBondContact O-CG 3.27Å; P91-E95 PolarHBondContact O-N 2.9Å
92L88Confident87.8Confident10 Ų1060.3 Ų60.35%0.05233%0.331CS..Hα-helixtrans-62.8-35.6179-65.1174.9000112.7L75 R77 L80 Q82 S90 L96 Y113L75-L92 HydrophobicContact CD2-CB 3.71Å; L75-L92 WeakPolarHBondContact CD2-O 3.39Å; L75-L92 HydrophobicContact CG-CB 4.49Å; R77-L92 HydrophobicContact CB-CD2 4.22Å; R77-L92 VanDerWaalsContact NH1-CD2 3.32Å; L80-L92 HydrophobicContact CD2-CD1 3.87Å; L80-L92 HydrophobicContact CG-CD1 4.49Å; Q82-L92 HydrophobicContact CG-CD1 4.22Å; S90-L92 VanDerWaalsContact C-N 3.27Å; S90-L92 PolarHBondContact O-N 2.88Å; L92-L96 PolarHBondContact O-N 3.35Å; L92-Y113 HydrophobicContact CD2-CE1 4.05Å
93Y90.2Very high87.8Confident15 Ų1560.5 Ų60.56%0.05935%0.345CS..Hα-helixtrans-71.1-43.6176.8174.1-108000110.7L51 F54 W55 M84 S88 S90 P91 E95 L96 V97L51-Y93 HydrophobicContact CD2-CE2 4.09Å; F54-Y93 HydrophobicContact CE1-CE2 4.2Å; W55-Y93 PolarHBondContact NE1-OH 2.88Å; M84-Y93 HydrophobicContact CE-CD2 3.28Å; M84-Y93 HydrophobicContact CE-CE2 3.5Å; M84-Y93 VanDerWaalsContact CE-CE2 3.5Å; M84-Y93 HydrophobicContact SD-CD2 3.7Å; M84-Y93 HydrophobicContact SD-CE2 4.46Å; M84-Y93 HydrophobicContact SD-CG 4.5Å; S88-Y93 WeakPolarHBondContact O-CD1 3.43Å; S90-Y93 WeakPolarHBondContact O-CB 3.27Å; S90-Y93 PolarHBondContact O-N 2.98Å; P91-Y93 VanDerWaalsContact C-N 3.29Å; P91-Y93 PolarHBondContact O-N 3.13Å; Y93-E95 VanDerWaalsContact C-N 3.31Å; Y93-E95 PolarHBondContact O-N 3.23Å; Y93-L96 PolarHBondContact O-N 3.38Å; Y93-V97 HydrophobicContact CD1-CG2 4.25Å; Y93-V97 HydrophobicContact CD2-CG2 4.43Å; Y93-V97 HydrophobicContact CE1-CG2 3.77Å; Y93-V97 HydrophobicContact CE2-CG2 4Å; Y93-V97 WeakPolarHBondContact O-CG2 3.26Å; Y93-V97 PolarHBondContact O-N 3.14Å; Y93-V97 VanDerWaalsContact O-N 3.08Å
94L91.1Very high87.8Confident89 Ų8958.2 Ų58.247%0.46634%0.341SS..Hα-helixtrans-62.9-37.4178.8-65.5175.9000111.9S90 P91 L96 V97 E98S90-L94 PolarHBondContact O-N 3.31Å; P91-L94 PolarHBondContact O-N 3.44Å; L94-L96 PolarHBondContact O-N 3.01Å; L94-V97 PolarHBondContact O-N 3.03Å; L94-E98 WeakPolarHBondContact O-CB 3.15Å; L94-E98 PolarHBondContact O-N 3.49Å
95E91.2Very high87.9Confident46 Ų4660.2 Ų60.222%0.21535%0.352CS..Hα-helixtrans-57.3-45.1173-74.6168.2-17900112P91 Y93 E98 T99 T106 F107 Y113P91-E95 WeakPolarHBondContact O-CG 3.27Å; P91-E95 PolarHBondContact O-N 2.9Å; Y93-E95 VanDerWaalsContact C-N 3.31Å; Y93-E95 PolarHBondContact O-N 3.23Å; E95-E98 PolarHBondContact O-N 3.35Å; E95-T99 WeakPolarHBondContact O-CB 3.34Å; E95-T99 PolarHBondContact O-N 3.01Å; E95-T99 PolarHBondContact O-OG1 3.44Å; E95-T106 PolarHBondContact O-OG1 3.14Å; E95-F107 HydrophobicContact CB-CB 4.46Å; E95-F107 HydrophobicContact CB-CD1 4.31Å; E95-Y113 PolarHBondContact OE2-OH 3.43Å
96L90.9Very high88Confident0 Ų059.2 Ų59.20%034%0.343CS..Hα-helixtrans-64.3-44.3176.3-68.8-175000112.1C41 V47 L51 L75 L92 Y93 L94 E98 T99 S100 F107 Y113 L115C41-L96 HydrophobicContact CB-CD2 4.15Å; V47-L96 HydrophobicContact CG1-CB 4.02Å; V47-L96 HydrophobicContact CG1-CD2 4.01Å; V47-L96 WeakPolarHBondContact CG1-O 3.46Å; V47-L96 HydrophobicContact CG2-CD2 4.07Å; L51-L96 HydrophobicContact CD1-CB 4.3Å; L51-L96 HydrophobicContact CD2-CB 4.39Å; L75-L96 HydrophobicContact CD1-CD1 3.68Å; L75-L96 HydrophobicContact CD1-CG 4.49Å; L75-L96 HydrophobicContact CD2-CD1 3.69Å; L75-L96 HydrophobicContact CD2-CG 4.26Å; L75-L96 HydrophobicContact CG-CD1 4.33Å; L92-L96 PolarHBondContact O-N 3.35Å; Y93-L96 PolarHBondContact O-N 3.38Å; L94-L96 PolarHBondContact O-N 3.01Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.47Å; L96-T99 WeakPolarHBondContact O-CB 3.41Å; L96-T99 PolarHBondContact O-N 2.98Å; L96-S100 PolarHBondContact O-N 3.29Å; L96-F107 HydrophobicContact CD2-CD1 4.49Å; L96-F107 HydrophobicContact CD2-CE1 3.79Å; L96-F107 HydrophobicContact CD2-CZ 4.34Å; L96-Y113 HydrophobicContact CD2-CD1 4.27Å; L96-L115 HydrophobicContact CD1-CD1 3.95Å; L96-L115 HydrophobicContact CD1-CD2 4.23Å; L96-L115 HydrophobicContact CD1-CG 4.16Å
97V91.1Very high88.5Confident29 Ų2953.7 Ų53.718%0.17632%0.317CS..Hα-helixtrans-62.3-44.2178.5175.30000110.4L51 W55 Y93 L94 S100 L101L51-V97 HydrophobicContact CD1-CG2 4.29Å; W55-V97 HydrophobicContact CZ2-CG2 4.27Å; Y93-V97 HydrophobicContact CD1-CG2 4.25Å; Y93-V97 HydrophobicContact CD2-CG2 4.43Å; Y93-V97 HydrophobicContact CE1-CG2 3.77Å; Y93-V97 HydrophobicContact CE2-CG2 4Å; Y93-V97 WeakPolarHBondContact O-CG2 3.26Å; Y93-V97 PolarHBondContact O-N 3.14Å; Y93-V97 VanDerWaalsContact O-N 3.08Å; L94-V97 PolarHBondContact O-N 3.03Å; V97-S100 PolarHBondContact O-N 3.26Å; V97-L101 HydrophobicContact CG1-CD1 4.01Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CG 3.42Å; V97-L101 PolarHBondContact O-N 3.24Å
98E91.8Very high89.1Confident82 Ų8255.1 Ų55.138%0.38331%0.311SS..Hα-helixtrans-62.9-42.3177.2-164.4-174.3171.300111.7L94 E95 L96 S100 L101 K102 T106L94-E98 WeakPolarHBondContact O-CB 3.15Å; L94-E98 PolarHBondContact O-N 3.49Å; E95-E98 PolarHBondContact O-N 3.35Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.47Å; E98-S100 VanDerWaalsContact C-N 3.33Å; E98-S100 PolarHBondContact O-N 3.47Å; E98-L101 PolarHBondContact O-N 2.98Å; E98-K102 HydrophobicContact CG-CD 4Å; E98-K102 HydrophobicContact CG-CG 4.34Å; E98-K102 WeakPolarHBondContact O-CB 3.26Å; E98-K102 PolarHBondContact O-N 2.94Å; E98-K102 WeakPolarHBondContact OE1-CE 3.27Å; E98-K102 IonicContact OE1-NZ 2.74Å; E98-K102 PolarHBondContact OE1-NZ 3.02Å; E98-T106 HydrophobicContact CB-CG2 4.3Å; E98-T106 HydrophobicContact CG-CG2 3.97Å
99T91.4Very high89Confident0 Ų059.2 Ų59.20%034%0.337CS..Hα-helixtrans-56.7-45.9174.2-700000111.6P44 V47 E95 L96 G103 E104 I105 T106 F107P44-T99 HydrophobicContact CB-CG2 4.38Å; V47-T99 HydrophobicContact CB-CG2 3.98Å; V47-T99 HydrophobicContact CG1-CG2 4.02Å; V47-T99 HydrophobicContact CG2-CG2 3.88Å; E95-T99 WeakPolarHBondContact O-CB 3.34Å; E95-T99 PolarHBondContact O-N 3.01Å; E95-T99 PolarHBondContact O-OG1 3.44Å; L96-T99 WeakPolarHBondContact O-CB 3.41Å; L96-T99 PolarHBondContact O-N 2.98Å; T99-G103 PolarHBondContact O-N 3Å; T99-E104 VanDerWaalsContact CA-O 3.27Å; T99-E104 WeakPolarHBondContact CA-O 3.42Å; T99-E104 WeakPolarHBondContact CG2-O 3.22Å; T99-E104 PolarHBondContact O-N 2.95Å; T99-I105 HydrophobicContact CG2-CD1 3.72Å; T99-T106 PolarHBondContact OG1-N 3.19Å; T99-T106 PolarHBondContact OG1-OG1 2.81Å; T99-F107 HydrophobicContact CG2-CE1 4.27Å; T99-F107 WeakPolarHBondContact OG1-CE1 3.37Å
100S89.7Confident89.1Confident23 Ų2359.6 Ų59.616%0.16134%0.338CS..Hα-helixtrans-66.4-35.9177.5177.30000112.9L96 V97 E98L96-S100 PolarHBondContact O-N 3.29Å; V97-S100 PolarHBondContact O-N 3.26Å; E98-S100 VanDerWaalsContact C-N 3.33Å; E98-S100 PolarHBondContact O-N 3.47Å
101L88.4Confident89Confident142 Ų14260.1 Ų60.174%0.74334%0.342SS*.Hα-helixtrans-75.9-38.7-179.2-70.8173.9000112.9V97 E98V97-L101 HydrophobicContact CG1-CD1 4.01Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CG 3.42Å; V97-L101 PolarHBondContact O-N 3.24Å; E98-L101 PolarHBondContact O-N 2.98Å
102K90.9Very high89Confident115 Ų11557 Ų5750%0.532%0.324SS..Hα-helixtrans-82.8-22.2-179.5-68.8-176170.3176.20113.1E98 E104 T106E98-K102 HydrophobicContact CG-CD 4Å; E98-K102 HydrophobicContact CG-CG 4.34Å; E98-K102 WeakPolarHBondContact O-CB 3.26Å; E98-K102 PolarHBondContact O-N 2.94Å; E98-K102 WeakPolarHBondContact OE1-CE 3.27Å; E98-K102 IonicContact OE1-NZ 2.74Å; E98-K102 PolarHBondContact OE1-NZ 3.02Å; K102-E104 VanDerWaalsContact C-N 3.28Å; K102-E104 HydrophobicContact CB-CG 3.85Å; K102-E104 HydrophobicContact CD-CG 4.45Å; K102-T106 HydrophobicContact CD-CG2 3.95Å
103G89.7Confident89.1Confident50 Ų5056.8 Ų56.852%0.51532%0.322SS..THydrogen-bonded Turntrans71.225-173.500000112.9P44 T99P44-G103 VanDerWaalsContact CG-C 3.42Å; P44-G103 VanDerWaalsContact CG-O 3.3Å; P44-G103 WeakPolarHBondContact CG-O 3.37Å; T99-G103 PolarHBondContact O-N 3Å
104E91.4Very high89.2Confident113 Ų11358.4 Ų58.453%0.52833%0.329SS..SBendtrans-144.1148.5176.667.4-175.6177.500109.9T99 K102 T106T99-E104 VanDerWaalsContact CA-O 3.27Å; T99-E104 WeakPolarHBondContact CA-O 3.42Å; T99-E104 WeakPolarHBondContact CG2-O 3.22Å; T99-E104 PolarHBondContact O-N 2.95Å; K102-E104 VanDerWaalsContact C-N 3.28Å; K102-E104 HydrophobicContact CB-CG 3.85Å; K102-E104 HydrophobicContact CD-CG 4.45Å; E104-T106 PolarHBondContact O-N 3.4Å
105I91.6Very high89.4Confident54 Ų5454.2 Ų54.228%0.27731%0.307SS..  trans-67.4121.2178-62.6-57.6000109.6P44 T99 F107P44-I105 HydrophobicContact CG-CD1 4.41Å; T99-I105 HydrophobicContact CG2-CD1 3.72Å; I105-F107 HydrophobicContact CD1-CE1 4.32Å; I105-F107 HydrophobicContact CD1-CE2 4.47Å; I105-F107 HydrophobicContact CD1-CZ 3.85Å; I105-F107 HydrophobicContact CG2-CD1 4.23Å; I105-F107 HydrophobicContact CG2-CD2 3.72Å; I105-F107 HydrophobicContact CG2-CE1 4.13Å; I105-F107 HydrophobicContact CG2-CE2 3.62Å; I105-F107 HydrophobicContact CG2-CG 4.05Å; I105-F107 HydrophobicContact CG2-CZ 3.84Å; I105-F107 WeakPolarHBondContact CG2-O 3.41Å
106T89.5Confident89.6Confident43 Ų4354.3 Ų54.326%0.26431%0.305SS..  trans-102.3-1.6-177.760.70000114.5E95 E98 T99 K102 E104E95-T106 PolarHBondContact O-OG1 3.14Å; E98-T106 HydrophobicContact CB-CG2 4.3Å; E98-T106 HydrophobicContact CG-CG2 3.97Å; T99-T106 PolarHBondContact OG1-N 3.19Å; T99-T106 PolarHBondContact OG1-OG1 2.81Å; K102-T106 HydrophobicContact CD-CG2 3.95Å; E104-T106 PolarHBondContact O-N 3.4Å
107F88.1Confident89.8Confident15 Ų1554.3 Ų54.37%0.06631%0.305CS..SBendtrans-108.8169.1176.647.8-95.3000111.7C41 V47 E95 L96 T99 I105 P109 Y113C41-F107 HydrophobicContact CB-CZ 4.28Å; C41-F107 VanDerWaalsContact O-CZ 3.29Å; C41-F107 WeakPolarHBondContact O-CZ 3.28Å; V47-F107 HydrophobicContact CG2-CZ 4.47Å; E95-F107 HydrophobicContact CB-CB 4.46Å; E95-F107 HydrophobicContact CB-CD1 4.31Å; L96-F107 HydrophobicContact CD2-CD1 4.49Å; L96-F107 HydrophobicContact CD2-CE1 3.79Å; L96-F107 HydrophobicContact CD2-CZ 4.34Å; T99-F107 HydrophobicContact CG2-CE1 4.27Å; T99-F107 WeakPolarHBondContact OG1-CE1 3.37Å; I105-F107 HydrophobicContact CD1-CE1 4.32Å; I105-F107 HydrophobicContact CD1-CE2 4.47Å; I105-F107 HydrophobicContact CD1-CZ 3.85Å; I105-F107 HydrophobicContact CG2-CD1 4.23Å; I105-F107 HydrophobicContact CG2-CD2 3.72Å; I105-F107 HydrophobicContact CG2-CE1 4.13Å; I105-F107 HydrophobicContact CG2-CE2 3.62Å; I105-F107 HydrophobicContact CG2-CG 4.05Å; I105-F107 HydrophobicContact CG2-CZ 3.84Å; I105-F107 WeakPolarHBondContact CG2-O 3.41Å; F107-P109 VanDerWaalsContact O-CD 3.3Å; F107-P109 WeakPolarHBondContact O-CD 3.41Å; F107-P109 VanDerWaalsContact O-N 3.12Å; F107-Y113 HydrophobicContact CB-CE1 4.26Å; F107-Y113 HydrophobicContact CB-CE2 3.76Å; F107-Y113 WeakPolarHBondContact CB-OH 3.43Å; F107-Y113 HydrophobicContact CD1-CE1 4.32Å; F107-Y113 HydrophobicContact CD2-CD1 4.36Å; F107-Y113 AromaticContact CD2-CD2 3.33Å; F107-Y113 HydrophobicContact CD2-CD2 3.33Å; F107-Y113 HydrophobicContact CD2-CE1 4.34Å; F107-Y113 AromaticContact CD2-CE2 3.32Å; F107-Y113 HydrophobicContact CD2-CE2 3.32Å; F107-Y113 AromaticContact CD2-CG 3.88Å; F107-Y113 HydrophobicContact CD2-CG 3.88Å; F107-Y113 AromaticContact CD2-CZ 3.84Å; F107-Y113 HydrophobicContact CE2-CD1 4.42Å; F107-Y113 AromaticContact CE2-CD2 3.55Å; F107-Y113 HydrophobicContact CE2-CD2 3.55Å; F107-Y113 HydrophobicContact CE2-CE2 4.05Å; F107-Y113 AromaticContact CE2-CG 3.76Å; F107-Y113 HydrophobicContact CE2-CG 3.76Å; F107-Y113 HydrophobicContact CG-CD1 4.39Å; F107-Y113 HydrophobicContact CG-CD2 4.01Å; F107-Y113 HydrophobicContact CG-CE1 4.05Å; F107-Y113 AromaticContact CG-CE2 3.66Å; F107-Y113 HydrophobicContact CG-CE2 3.66Å; F107-Y113 HydrophobicContact CG-CG 4.37Å; F107-Y113 AromaticContact CG-CZ 3.65Å; F107-Y113 HydrophobicContact CZ-CD2 4.39Å; F107-Y113 HydrophobicContact CZ-CG 4.18Å
108D86.5Confident90Very high86 Ų8653 Ų5346%0.4630%0.297SS..  trans-57.7116.5179.9-174.5-13.9000110.6C110 C111D108-C110 PolarHBondContact O-N 2.73Å; D108-C110 VanDerWaalsContact OD1-CB 3.25Å; D108-C110 WeakPolarHBondContact OD1-CB 3.46Å; D108-C110 PolarHBondContact OD1-N 2.72Å; D108-C111 HydrophobicContact CB-CB 4.29Å; D108-C111 WeakPolarHBondContact O-CB 3.36Å; D108-C111 PolarHBondContact O-N 2.78Å
109P79.1Confident90.2Very high114 Ų11449.8 Ų49.874%0.7428%0.282SS*.THydrogen-bonded Turntrans-67.5-14.7-17928.1-35.4000113.3F107F107-P109 VanDerWaalsContact O-CD 3.3Å; F107-P109 WeakPolarHBondContact O-CD 3.41Å; F107-P109 VanDerWaalsContact O-N 3.12Å
110C84.6Confident90.4Very high116 Ų11651.9 Ų51.978%0.78429%0.294SS*.THydrogen-bonded Turntrans-77.7-24173.5-56.50000112.2D108D108-C110 PolarHBondContact O-N 2.73Å; D108-C110 VanDerWaalsContact OD1-CB 3.25Å; D108-C110 WeakPolarHBondContact OD1-CB 3.46Å; D108-C110 PolarHBondContact OD1-N 2.72Å
111C86.3Confident90.7Very high30 Ų3052.5 Ų52.520%0.20329%0.293CS..SBendtrans-77.7140.5177.8-76.50000111R77 D78 D108 Y113R77-C111 HydrophobicContact CG-CB 4.09Å; D78-C111 PolarHBondContact OD2-SG 2.77Å; D108-C111 HydrophobicContact CB-CB 4.29Å; D108-C111 WeakPolarHBondContact O-CB 3.36Å; D108-C111 PolarHBondContact O-N 2.78Å; C111-Y113 HydrophobicContact CB-CD2 3.98Å; C111-Y113 HydrophobicContact CB-CE2 3.65Å; C111-Y113 PolarHBondContact O-N 2.96Å
112A86.8Confident91Very high26 Ų2646.4 Ų46.422%0.21526%0.263CS..  trans-90.8105.1177.200000110.5R77 D78 Y114R77-A112 WeakPolarHBondContact CA-O 3.43Å; D78-A112 PolarHBondContact N-O 2.94Å; D78-A112 PolarHBondContact OD1-N 2.86Å; A112-Y114 HydrophobicContact CB-CD2 4.39Å; A112-Y114 HydrophobicContact CB-CE2 3.59Å
113Y91.8Very high91.1Very high4 Ų444.3 Ų44.32%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-94.2130.5175.1-78.7-112.1000111.7C41 L75 Q76 R77 L92 E95 L96 F107 C111C41-Y113 PolarHBondContact N-O 3.01Å; L75-Y113 HydrophobicContact CD1-CD1 4.31Å; Q76-Y113 CarbonylContact O-C 3.37Å; Q76-Y113 WeakPolarHBondContact O-CA 3.27Å; R77-Y113 HydrophobicContact CB-CD1 4.42Å; R77-Y113 HydrophobicContact CB-CE1 4.25Å; R77-Y113 HydrophobicContact CB-CE2 4.35Å; R77-Y113 VanDerWaalsContact CD-CE2 3.41Å; R77-Y113 WeakPolarHBondContact CD-OH 3.3Å; R77-Y113 HydrophobicContact CG-CD2 4.01Å; R77-Y113 HydrophobicContact CG-CE1 4.26Å; R77-Y113 HydrophobicContact CG-CE2 3.57Å; R77-Y113 PolarHBondContact NH1-OH 3.31Å; L92-Y113 HydrophobicContact CD2-CE1 4.05Å; E95-Y113 PolarHBondContact OE2-OH 3.43Å; L96-Y113 HydrophobicContact CD2-CD1 4.27Å; F107-Y113 HydrophobicContact CB-CE1 4.26Å; F107-Y113 HydrophobicContact CB-CE2 3.76Å; F107-Y113 WeakPolarHBondContact CB-OH 3.43Å; F107-Y113 HydrophobicContact CD1-CE1 4.32Å; F107-Y113 HydrophobicContact CD2-CD1 4.36Å; F107-Y113 AromaticContact CD2-CD2 3.33Å; F107-Y113 HydrophobicContact CD2-CD2 3.33Å; F107-Y113 HydrophobicContact CD2-CE1 4.34Å; F107-Y113 AromaticContact CD2-CE2 3.32Å; F107-Y113 HydrophobicContact CD2-CE2 3.32Å; F107-Y113 AromaticContact CD2-CG 3.88Å; F107-Y113 HydrophobicContact CD2-CG 3.88Å; F107-Y113 AromaticContact CD2-CZ 3.84Å; F107-Y113 HydrophobicContact CE2-CD1 4.42Å; F107-Y113 AromaticContact CE2-CD2 3.55Å; F107-Y113 HydrophobicContact CE2-CD2 3.55Å; F107-Y113 HydrophobicContact CE2-CE2 4.05Å; F107-Y113 AromaticContact CE2-CG 3.76Å; F107-Y113 HydrophobicContact CE2-CG 3.76Å; F107-Y113 HydrophobicContact CG-CD1 4.39Å; F107-Y113 HydrophobicContact CG-CD2 4.01Å; F107-Y113 HydrophobicContact CG-CE1 4.05Å; F107-Y113 AromaticContact CG-CE2 3.66Å; F107-Y113 HydrophobicContact CG-CE2 3.66Å; F107-Y113 HydrophobicContact CG-CG 4.37Å; F107-Y113 AromaticContact CG-CZ 3.65Å; F107-Y113 HydrophobicContact CZ-CD2 4.39Å; F107-Y113 HydrophobicContact CZ-CG 4.18Å; C111-Y113 HydrophobicContact CB-CD2 3.98Å; C111-Y113 HydrophobicContact CB-CE2 3.65Å; C111-Y113 PolarHBondContact O-N 2.96Å
114Y92.5Very high91.3Very high50 Ų5042.5 Ų42.520%0.19624%0.239CC..EExtended strand (participates in β ladder)trans-136.4141175.9-60.2-87.5000112.1K38 I39 R40 L75 Q76 A112K38-Y114 HydrophobicContact CD-CD1 4.21Å; K38-Y114 HydrophobicContact CG-CD1 3.95Å; K38-Y114 HydrophobicContact CG-CG 4.47Å; I39-Y114 CarbonylContact O-C 3.47Å; I39-Y114 WeakPolarHBondContact O-CA 3.1Å; R40-Y114 HydrophobicContact CB-CD1 3.83Å; R40-Y114 HydrophobicContact CB-CE1 3.61Å; R40-Y114 HydrophobicContact CG-CD1 4.07Å; R40-Y114 HydrophobicContact CG-CE1 3.59Å; L75-Y114 WeakPolarHBondContact CD1-O 3.21Å; Q76-Y114 PolarHBondContact N-O 2.74Å; Q76-Y114 PolarHBondContact O-N 2.8Å; A112-Y114 HydrophobicContact CB-CD2 4.39Å; A112-Y114 HydrophobicContact CB-CE2 3.59Å
115L94.1Very high91.5Very high0 Ų039 Ų390%023%0.232CC..EExtended strand (participates in β ladder)trans-103.3131.6162.7-77.5168.6000109.6K38 I39 A50 L75 M84 L96 F117K38-L115 WeakPolarHBondContact CA-O 3.23Å; I39-L115 PolarHBondContact N-O 2.85Å; I39-L115 PolarHBondContact O-N 2.84Å; A50-L115 HydrophobicContact CB-CB 4.47Å; A50-L115 HydrophobicContact CB-CD1 3.45Å; A50-L115 VanDerWaalsContact CB-CD1 3.45Å; L75-L115 HydrophobicContact CB-CD2 3.92Å; L75-L115 HydrophobicContact CD1-CD2 3.95Å; L75-L115 HydrophobicContact CD1-CG 4.25Å; L75-L115 HydrophobicContact CG-CD2 4.46Å; M84-L115 HydrophobicContact CE-CD2 3.96Å; M84-L115 HydrophobicContact CG-CD2 4.09Å; M84-L115 HydrophobicContact SD-CD2 4.19Å; L96-L115 HydrophobicContact CD1-CD1 3.95Å; L96-L115 HydrophobicContact CD1-CD2 4.23Å; L96-L115 HydrophobicContact CD1-CG 4.16Å; L115-F117 HydrophobicContact CB-CE2 3.84Å; L115-F117 HydrophobicContact CB-CZ 4.35Å
116W95.2Very high91.6Very high48 Ų4838.5 Ų38.518%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-115.8114.4-179.9-63.157.3000108.5L10 V36 K37 K38 C73 V74L10-W116 HydrophobicContact CD1-CH2 3.99Å; L10-W116 HydrophobicContact CD1-CZ3 3.92Å; L10-W116 HydrophobicContact CD2-CZ3 4.07Å; L10-W116 HydrophobicContact CG-CZ3 4.23Å; V36-W116 HydrophobicContact CG1-CB 4.48Å; V36-W116 HydrophobicContact CG1-CD2 4.31Å; V36-W116 HydrophobicContact CG1-CE3 3.48Å; V36-W116 VanDerWaalsContact CG1-CE3 3.48Å; V36-W116 HydrophobicContact CG1-CZ3 4.1Å; K37-W116 CarbonylContact O-C 3.49Å; K37-W116 WeakPolarHBondContact O-CA 3.41Å; K38-W116 HydrophobicContact CD-CD2 4.44Å; K38-W116 HydrophobicContact CD-CH2 4.27Å; K38-W116 HydrophobicContact CD-CZ2 3.76Å; K38-W116 VanDerWaalsContact CE-CZ2 3.49Å; K38-W116 HydrophobicContact CG-CD2 4.37Å; K38-W116 HydrophobicContact CG-CZ2 4.5Å; C73-W116 CarbonylContact C-O 3.58Å; C73-W116 VanDerWaalsContact CA-O 3.26Å; C73-W116 WeakPolarHBondContact CA-O 3.38Å; V74-W116 HydrophobicContact CB-CB 4.17Å; V74-W116 PolarHBondContact N-O 2.79Å; V74-W116 PolarHBondContact O-N 3.49Å
117F95.4Very high92Very high0 Ų036.4 Ų36.40%022%0.218CC..EExtended strand (participates in β ladder)trans-97.5112.3174.5-59.5-99.2000108.5V36 K37 I39 A50 E53 F54 L57 L70 C73 L115 M119V36-F117 CarbonylContact C-O 3.58Å; V36-F117 WeakPolarHBondContact CA-O 3.46Å; K37-F117 HydrophobicContact CB-CB 4.2Å; K37-F117 PolarHBondContact N-O 2.85Å; K37-F117 PolarHBondContact O-N 2.8Å; I39-F117 HydrophobicContact CD1-CD2 4.28Å; I39-F117 HydrophobicContact CD1-CE2 3.75Å; I39-F117 HydrophobicContact CG1-CE2 4.3Å; A50-F117 HydrophobicContact CB-CE2 4.47Å; A50-F117 HydrophobicContact CB-CZ 4.41Å; A50-F117 WeakPolarHBondContact O-CZ 3.22Å; E53-F117 HydrophobicContact CB-CE1 4.09Å; E53-F117 HydrophobicContact CB-CZ 4.16Å; E53-F117 HydrophobicContact CG-CD1 4.17Å; E53-F117 HydrophobicContact CG-CE1 3.84Å; E53-F117 HydrophobicContact CG-CZ 4.23Å; F54-F117 HydrophobicContact CB-CE1 3.87Å; F54-F117 HydrophobicContact CB-CZ 4.23Å; L57-F117 HydrophobicContact CD1-CD1 4.45Å; L70-F117 HydrophobicContact CD1-CB 4.03Å; L70-F117 HydrophobicContact CD1-CD1 4.01Å; C73-F117 HydrophobicContact CB-CD1 4.48Å; L115-F117 HydrophobicContact CB-CE2 3.84Å; L115-F117 HydrophobicContact CB-CZ 4.35Å; F117-M119 HydrophobicContact CB-CE 4.14Å; F117-M119 HydrophobicContact CB-CG 4.29Å; F117-M119 HydrophobicContact CB-SD 4.2Å
118V96.1Very high92.4Very high1 Ų136.1 Ų36.11%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-93.2116.4176.2-172.50000108.2Y8 M34 A35 V36 E71 E72Y8-V118 HydrophobicContact CD1-CG1 4.25Å; Y8-V118 HydrophobicContact CD2-CG2 4.16Å; Y8-V118 HydrophobicContact CE1-CG1 3.56Å; Y8-V118 HydrophobicContact CE1-CG2 4.48Å; Y8-V118 HydrophobicContact CE2-CG1 4.24Å; Y8-V118 HydrophobicContact CE2-CG2 3.69Å; M34-V118 HydrophobicContact CB-CG1 4.17Å; M34-V118 HydrophobicContact CE-CG1 3.71Å; M34-V118 HydrophobicContact CG-CG1 4.36Å; A35-V118 WeakPolarHBondContact O-CA 3.36Å; V36-V118 HydrophobicContact CG2-CG2 4.43Å; E71-V118 HydrophobicContact CB-CB 4.46Å; E71-V118 HydrophobicContact CB-CG1 4.27Å; E71-V118 WeakPolarHBondContact CB-O 3.31Å; E71-V118 PolarHBondContact N-O 2.83Å; E72-V118 HydrophobicContact CG-CB 3.97Å; E72-V118 HydrophobicContact CG-CG2 3.78Å; E72-V118 PolarHBondContact N-O 2.93Å; E72-V118 WeakPolarHBondContact O-CB 3.24Å; E72-V118 PolarHBondContact O-N 3.37Å
119M95.9Very high92.8Very high15 Ų1534.3 Ų34.37%0.07421%0.214CC..EExtended strand (participates in β ladder)trans-134167.5-169.9-61.4176.9-6700111.7M34 A35 K37 L57 I68 H69 L70 F117 F121M34-M119 WeakPolarHBondContact CE-O 3.31Å; A35-M119 PolarHBondContact N-O 2.96Å; A35-M119 PolarHBondContact O-N 3.49Å; K37-M119 HydrophobicContact CB-CE 3.67Å; K37-M119 HydrophobicContact CD-CE 4.42Å; L57-M119 HydrophobicContact CD1-SD 4.35Å; I68-M119 HydrophobicContact CG1-CB 4.06Å; I68-M119 HydrophobicContact CG1-SD 4.27Å; I68-M119 HydrophobicContact CG2-SD 4.44Å; H69-M119 WeakPolarHBondContact O-CA 3.31Å; H69-M119 WeakPolarHBondContact O-CB 3.38Å; L70-M119 HydrophobicContact CD1-CG 4.01Å; F117-M119 HydrophobicContact CB-CE 4.14Å; F117-M119 HydrophobicContact CB-CG 4.29Å; F117-M119 HydrophobicContact CB-SD 4.2Å; M119-F121 PolarHBondContact O-N 2.98Å
120D94.9Very high93.6Very high44 Ų4430 Ų3024%0.23518%0.183CC..EExtended strand (participates in β ladder)trans-51.8139.1169.2-72.2-8.8000111I68 H69 K187I68-D120 HydrophobicContact CD1-CB 3.91Å; H69-D120 WeakPolarHBondContact CB-OD2 3.5Å; H69-D120 IonicContact ND1-OD1 3.43Å; H69-D120 PolarHBondContact O-N 3.31Å; D120-K187 IonicContact OD2-NZ 2.63Å; D120-K187 PolarHBondContact OD2-NZ 3.41Å
121F95.7Very high94.1Very high36 Ų3624.6 Ų24.616%0.15815%0.146CC..  trans-89.9123.1171.8-173.3-97000111.2V14 E24 R33 A35 M119 D123V14-F121 HydrophobicContact CG1-CE2 4.13Å; V14-F121 HydrophobicContact CG1-CZ 4.48Å; V14-F121 HydrophobicContact CG2-CE2 4.47Å; E24-F121 HydrophobicContact CB-CD2 4.31Å; E24-F121 HydrophobicContact CB-CE2 3.73Å; E24-F121 HydrophobicContact CB-CZ 4.34Å; E24-F121 HydrophobicContact CG-CD2 4.18Å; E24-F121 HydrophobicContact CG-CE2 3.82Å; E24-F121 HydrophobicContact CG-CZ 4.16Å; R33-F121 HydrophobicContact CB-CB 4.29Å; R33-F121 HydrophobicContact CB-CD1 4.47Å; R33-F121 HydrophobicContact CB-CG 4.46Å; A35-F121 HydrophobicContact CB-CD2 4.2Å; M119-F121 PolarHBondContact O-N 2.98Å; F121-D123 HydrophobicContact CD1-CB 4.12Å; F121-D123 HydrophobicContact CE1-CB 3.7Å
122C95.3Very high94.5Very high15 Ų1525.7 Ų25.710%0.10115%0.15CC..  trans-102110.4175.3-69.10000110L171 I172C122-L171 HydrophobicContact CB-CB 3.63Å; C122-L171 HydrophobicContact CB-CD1 4.22Å; C122-I172 CarbonylContact C-O 3.53Å; C122-I172 WeakPolarHBondContact CB-O 3.41Å
123D93.6Very high94.9Very high70 Ų7028.5 Ų28.537%0.37417%0.168SC..THydrogen-bonded Turntrans-88.12.8-172.964.2-19.2000114.8F121 Q174F121-D123 HydrophobicContact CD1-CB 4.12Å; F121-D123 HydrophobicContact CE1-CB 3.7Å; D123-Q174 PolarHBondContact OD1-N 3.32Å
124G93.7Very high94.9Very high13 Ų1333.1 Ų33.113%0.13419%0.185CC..THydrogen-bonded Turntrans-98.70.417900000115.5I172G124-I172 WeakPolarHBondContact CA-O 3.29Å; G124-I172 PolarHBondContact N-O 3.47Å
125G94.3Very high94.8Very high38 Ų3839.8 Ų39.839%0.39222%0.215SC..  trans73.8-161.8-172.900000112.5I172G125-I172 PolarHBondContact O-N 3.19Å
126D95.4Very high94.5Very high44 Ų4444 Ų4424%0.23524%0.242CC..BIsolated β-bridgetrans-84.3163.1173.76375.8000112.7N128 A129 Y130 I170 L171D126-N128 VanDerWaalsContact C-N 3.3Å; D126-N128 PolarHBondContact O-N 3.26Å; D126-N128 WeakPolarHBondContact OD1-CA 3.5Å; D126-N128 VanDerWaalsContact OD1-CB 3.26Å; D126-N128 WeakPolarHBondContact OD1-CB 3.28Å; D126-N128 PolarHBondContact OD1-N 2.93Å; D126-A129 WeakPolarHBondContact OD1-CB 3.32Å; D126-A129 PolarHBondContact OD1-N 2.86Å; D126-Y130 WeakPolarHBondContact O-CB 3.35Å; D126-Y130 PolarHBondContact O-N 2.85Å; D126-I170 CarbonylContact C-O 3.59Å; D126-I170 WeakPolarHBondContact CA-O 3.39Å; D126-L171 HydrophobicContact CB-CD2 4.41Å
127M96.7Very high94.2Very high0 Ų043.7 Ų43.70%025%0.247CC..Hα-helixtrans-64.6-33.5-177.5177.8179.6172.200112L131 F144 L148 P167 I170 I172 I246 M250M127-L131 HydrophobicContact CE-CD1 3.53Å; M127-L131 HydrophobicContact CG-CD1 3.7Å; M127-L131 HydrophobicContact CG-CG 4.2Å; M127-L131 WeakPolarHBondContact O-CB 3.27Å; M127-L131 VanDerWaalsContact O-CG 3.3Å; M127-L131 WeakPolarHBondContact O-CG 3.4Å; M127-L131 PolarHBondContact O-N 2.88Å; M127-L131 HydrophobicContact SD-CD1 4.48Å; M127-F144 HydrophobicContact CE-CD2 4.31Å; M127-L148 HydrophobicContact CE-CD1 4.11Å; M127-L148 HydrophobicContact SD-CD1 4.28Å; M127-P167 HydrophobicContact CB-CB 4.49Å; M127-P167 WeakPolarHBondContact CB-O 3.38Å; M127-P167 PolarHBondContact N-O 3.29Å; M127-I170 HydrophobicContact CB-CB 3.84Å; M127-I170 HydrophobicContact CB-CG2 3.87Å; M127-I170 WeakPolarHBondContact CB-O 3.27Å; M127-I170 HydrophobicContact CG-CG2 4.42Å; M127-I170 PolarHBondContact N-O 3.42Å; M127-I170 HydrophobicContact SD-CB 4.11Å; M127-I170 HydrophobicContact SD-CD1 3.75Å; M127-I170 HydrophobicContact SD-CG2 3.83Å; M127-I172 HydrophobicContact CB-CD1 4.23Å; M127-I246 HydrophobicContact CE-CG2 3.75Å; M127-I246 HydrophobicContact SD-CG2 4.24Å; M127-M250 HydrophobicContact CE-CB 4.3Å; M127-M250 HydrophobicContact CE-CE 4.36Å; M127-M250 HydrophobicContact CE-CG 4.29Å; M127-M250 HydrophobicContact CE-SD 3.44Å; M127-M250 WeakPolarHBondContact CE-SD 3.46Å
128N95.7Very high93.9Very high9 Ų949.2 Ų49.25%0.04827%0.268CS..Hα-helixtrans-62.4-60179-170.161.7000110.5D126 Y130 L131 L132 P167 E264 L265 L266D126-N128 VanDerWaalsContact C-N 3.3Å; D126-N128 PolarHBondContact O-N 3.26Å; D126-N128 WeakPolarHBondContact OD1-CA 3.5Å; D126-N128 VanDerWaalsContact OD1-CB 3.26Å; D126-N128 WeakPolarHBondContact OD1-CB 3.28Å; D126-N128 PolarHBondContact OD1-N 2.93Å; N128-Y130 VanDerWaalsContact C-N 3.27Å; N128-Y130 PolarHBondContact O-N 3.44Å; N128-L131 PolarHBondContact O-N 3.34Å; N128-L132 WeakPolarHBondContact O-CB 3.44Å; N128-L132 VanDerWaalsContact O-CG 3.31Å; N128-L132 WeakPolarHBondContact O-CG 3.45Å; N128-L132 PolarHBondContact O-N 3.41Å; N128-P167 HydrophobicContact CB-CB 3.79Å; N128-E264 PolarHBondContact ND2-O 2.74Å; N128-L265 WeakPolarHBondContact ND2-CD2 3.29Å; N128-L265 WeakPolarHBondContact OD1-CA 3.44Å; N128-L266 PolarHBondContact OD1-N 3.3Å
129A95.1Very high93.6Very high48 Ų4857 Ų5740%0.39730%0.302SS..Hα-helixtrans-59.7-39.1177.400000111.4D126 L131 S133D126-A129 WeakPolarHBondContact OD1-CB 3.32Å; D126-A129 PolarHBondContact OD1-N 2.86Å; A129-L131 PolarHBondContact O-N 2.78Å; A129-S133 VanDerWaalsContact O-CB 3.26Å; A129-S133 WeakPolarHBondContact O-CB 3.33Å; A129-S133 PolarHBondContact O-N 2.97Å; A129-S133 VanDerWaalsContact O-N 3.08Å; A129-S133 PolarHBondContact O-OG 3.47Å
130Y96Very high93.4Very high23 Ų2357.8 Ų57.89%0.0931%0.308CS..Hα-helixtrans-61.6-45.1179-175.6-87.6000112.7D126 N128 S133 R134 T140 F144 I172 P184D126-Y130 WeakPolarHBondContact O-CB 3.35Å; D126-Y130 PolarHBondContact O-N 2.85Å; N128-Y130 VanDerWaalsContact C-N 3.27Å; N128-Y130 PolarHBondContact O-N 3.44Å; Y130-S133 PolarHBondContact O-OG 2.9Å; Y130-S133 VanDerWaalsContact O-OG 3.12Å; Y130-R134 VanDerWaalsContact CD2-NH1 3.28Å; Y130-R134 WeakPolarHBondContact O-CD 3.38Å; Y130-R134 WeakPolarHBondContact O-CG 3.28Å; Y130-R134 PolarHBondContact O-NH1 3.5Å; Y130-T140 HydrophobicContact CE1-CG2 4.39Å; Y130-F144 AromaticContact CD1-CE2 3.92Å; Y130-F144 HydrophobicContact CD1-CE2 3.92Å; Y130-F144 HydrophobicContact CD1-CZ 4.05Å; Y130-F144 HydrophobicContact CE1-CE2 4.03Å; Y130-F144 AromaticContact CE1-CZ 3.81Å; Y130-F144 HydrophobicContact CE1-CZ 3.81Å; Y130-I172 HydrophobicContact CD1-CG1 4.4Å; Y130-I172 HydrophobicContact CD2-CB 4.13Å; Y130-I172 HydrophobicContact CD2-CG1 4.1Å; Y130-I172 HydrophobicContact CD2-CG2 3.77Å; Y130-I172 HydrophobicContact CE2-CG2 3.82Å; Y130-I172 HydrophobicContact CG-CB 4.41Å; Y130-I172 HydrophobicContact CG-CG1 3.85Å; Y130-I172 HydrophobicContact CG-CG2 4.27Å; Y130-P184 HydrophobicContact CE1-CG 4.47Å; Y130-P184 HydrophobicContact CE2-CB 4.48Å; Y130-P184 WeakPolarHBondContact OH-CG 3.44Å
131L95.6Very high93.3Very high2 Ų256.2 Ų56.21%0.0130%0.299CS..Hα-helixtrans-78.1-36.1-177.8-72.3175.6000113.1M127 N128 A129 R134 F144 M250 R253 L266M127-L131 HydrophobicContact CE-CD1 3.53Å; M127-L131 HydrophobicContact CG-CD1 3.7Å; M127-L131 HydrophobicContact CG-CG 4.2Å; M127-L131 WeakPolarHBondContact O-CB 3.27Å; M127-L131 VanDerWaalsContact O-CG 3.3Å; M127-L131 WeakPolarHBondContact O-CG 3.4Å; M127-L131 PolarHBondContact O-N 2.88Å; M127-L131 HydrophobicContact SD-CD1 4.48Å; N128-L131 PolarHBondContact O-N 3.34Å; A129-L131 PolarHBondContact O-N 2.78Å; L131-R134 PolarHBondContact O-N 3.27Å; L131-F144 HydrophobicContact CD2-CD2 4.21Å; L131-F144 HydrophobicContact CD2-CE2 4.09Å; L131-F144 HydrophobicContact CG-CE2 4.48Å; L131-M250 HydrophobicContact CD1-CB 4.17Å; L131-M250 HydrophobicContact CD1-CG 3.69Å; L131-M250 HydrophobicContact CD1-SD 3.91Å; L131-R253 PolarHBondContact O-NH2 3.08Å; L131-L266 HydrophobicContact CB-CD1 3.97Å; L131-L266 HydrophobicContact CD1-CD1 3.56Å; L131-L266 HydrophobicContact CG-CD1 4.41Å
132L95.1Very high93.2Very high54 Ų5455.6 Ų55.628%0.28330%0.299SS..Hα-helixtrans-74.1-31.2179.9-65.1-177.6000112.7N128 R134 T255 E264 L266N128-L132 WeakPolarHBondContact O-CB 3.44Å; N128-L132 VanDerWaalsContact O-CG 3.31Å; N128-L132 WeakPolarHBondContact O-CG 3.45Å; N128-L132 PolarHBondContact O-N 3.41Å; L132-R134 PolarHBondContact O-N 3.14Å; L132-T255 HydrophobicContact CD2-CG2 3.55Å; L132-E264 HydrophobicContact CD1-CB 4.12Å; L132-E264 HydrophobicContact CD1-CG 3.93Å; L132-E264 VanDerWaalsContact CD1-O 3.23Å; L132-E264 WeakPolarHBondContact CD1-O 3.31Å; L132-L266 HydrophobicContact CD2-CD2 4.14Å; L132-L266 HydrophobicContact CD2-CG 4.21Å
133S94.6Very high93.1Very high84 Ų8456.5 Ų56.559%0.58731%0.305SS*.THydrogen-bonded Turntrans-73.1-2.417458.10000114.2A129 Y130A129-S133 VanDerWaalsContact O-CB 3.26Å; A129-S133 WeakPolarHBondContact O-CB 3.33Å; A129-S133 PolarHBondContact O-N 2.97Å; A129-S133 VanDerWaalsContact O-N 3.08Å; A129-S133 PolarHBondContact O-OG 3.47Å; Y130-S133 PolarHBondContact O-OG 2.9Å; Y130-S133 VanDerWaalsContact O-OG 3.12Å
134R92.9Very high93.2Very high101 Ų10153.1 Ų53.138%0.38129%0.287SS..SBendtrans-133.2149.3-172.3-67.9174.317873.9-1.3112Y130 L131 L132Y130-R134 VanDerWaalsContact CD2-NH1 3.28Å; Y130-R134 WeakPolarHBondContact O-CD 3.38Å; Y130-R134 WeakPolarHBondContact O-CG 3.28Å; Y130-R134 PolarHBondContact O-NH1 3.5Å; L131-R134 PolarHBondContact O-N 3.27Å; L132-R134 PolarHBondContact O-N 3.14Å
135K90.3Very high93.4Very high191 Ų19153.1 Ų53.183%0.8328%0.284SS*.  trans-61146.5171.3-68.3-173.3179.5-178.70110.5S137K135-S137 PolarHBondContact O-N 3.31Å
136P87.5Confident93.5Very high87 Ų8754 Ų5457%0.56528%0.279SS*.  trans-54.1132.9174.2-24.334.7000111.1R253P136-R253 HydrophobicContact CB-CG 4.35Å; P136-R253 HydrophobicContact CG-CG 3.66Å
137S89.3Confident93.6Very high42 Ų4253 Ų5329%0.29427%0.273SS..  trans-131.4113.5-178.9163.90000108.2K135 K139 T140 N141K135-S137 PolarHBondContact O-N 3.31Å; S137-K139 VanDerWaalsContact C-N 3.29Å; S137-K139 PolarHBondContact O-N 3.37Å; S137-T140 WeakPolarHBondContact CB-OG1 3.41Å; S137-T140 PolarHBondContact O-N 2.92Å; S137-T140 WeakPolarHBondContact OG-CB 3.4Å; S137-T140 PolarHBondContact OG-N 2.98Å; S137-T140 VanDerWaalsContact OG-N 3.15Å; S137-T140 PolarHBondContact OG-OG1 3.24Å; S137-N141 WeakPolarHBondContact O-CB 3.15Å; S137-N141 VanDerWaalsContact O-CG 3.25Å; S137-N141 PolarHBondContact O-N 3.11Å; S137-N141 PolarHBondContact O-OD1 2.85Å
138R87.9Confident93.7Very high116 Ų11653.1 Ų53.144%0.43827%0.273SS..Hα-helixtrans-58.1-44.6178.9-168.5-179.5-171.8-175.98.8110.9T140 N141 T142 E336R138-T140 VanDerWaalsContact C-N 3.33Å; R138-T140 PolarHBondContact O-N 2.82Å; R138-N141 PolarHBondContact O-N 3.19Å; R138-T142 WeakPolarHBondContact O-CB 3.42Å; R138-T142 PolarHBondContact O-N 3.48Å; R138-T142 PolarHBondContact O-OG1 3.37Å; R138-E336 IonicContact CZ-OE1 3.76Å; R138-E336 IonicContact CZ-OE2 3.67Å; R138-E336 IonicContact NE-OE1 3.91Å; R138-E336 IonicContact NE-OE2 3.35Å; R138-E336 PolarHBondContact NE-OE2 2.97Å; R138-E336 IonicContact NH2-OE1 2.81Å; R138-E336 PolarHBondContact NH2-OE1 3.2Å; R138-E336 IonicContact NH2-OE2 3.37Å; R138-E336 PolarHBondContact NH2-OE2 3.21Å
139K89.4Confident93.8Very high166 Ų16652.7 Ų52.772%0.72227%0.272SS*.Hα-helixtrans-56.1-46.3176.2-176.1-179.1178.5-1780112.1S137 S143S137-K139 VanDerWaalsContact C-N 3.29Å; S137-K139 PolarHBondContact O-N 3.37Å; K139-S143 WeakPolarHBondContact O-CB 3.36Å; K139-S143 PolarHBondContact O-N 3.4Å
140T91.9Very high94Very high31 Ų3151.8 Ų51.819%0.1926%0.262CS..Hα-helixtrans-67.8-45.1179.3-56.50000111Y130 S137 R138 T142 S143 F144Y130-T140 HydrophobicContact CE1-CG2 4.39Å; S137-T140 WeakPolarHBondContact CB-OG1 3.41Å; S137-T140 PolarHBondContact O-N 2.92Å; S137-T140 WeakPolarHBondContact OG-CB 3.4Å; S137-T140 PolarHBondContact OG-N 2.98Å; S137-T140 VanDerWaalsContact OG-N 3.15Å; S137-T140 PolarHBondContact OG-OG1 3.24Å; R138-T140 VanDerWaalsContact C-N 3.33Å; R138-T140 PolarHBondContact O-N 2.82Å; T140-T142 PolarHBondContact O-N 3.38Å; T140-S143 PolarHBondContact O-N 2.86Å; T140-F144 HydrophobicContact CG2-CD1 4.28Å; T140-F144 HydrophobicContact CG2-CD2 4.12Å; T140-F144 HydrophobicContact CG2-CE1 4.09Å; T140-F144 HydrophobicContact CG2-CE2 3.91Å; T140-F144 HydrophobicContact CG2-CG 4.31Å; T140-F144 HydrophobicContact CG2-CZ 3.9Å; T140-F144 WeakPolarHBondContact O-CB 3.21Å; T140-F144 WeakPolarHBondContact O-CG 3.47Å; T140-F144 PolarHBondContact O-N 3.24Å
141N92.9Very high94.1Very high10 Ų1050.7 Ų50.75%0.05326%0.258CS..Hα-helixtrans-59.3-47.5177.2-68.3-1.3000110.8S137 R138 S143 F144 M145 M250S137-N141 WeakPolarHBondContact O-CB 3.15Å; S137-N141 VanDerWaalsContact O-CG 3.25Å; S137-N141 PolarHBondContact O-N 3.11Å; S137-N141 PolarHBondContact O-OD1 2.85Å; R138-N141 PolarHBondContact O-N 3.19Å; N141-S143 PolarHBondContact O-N 2.96Å; N141-F144 PolarHBondContact O-N 2.89Å; N141-M145 WeakPolarHBondContact O-CB 3.47Å; N141-M145 VanDerWaalsContact O-CG 3.24Å; N141-M145 WeakPolarHBondContact O-CG 3.15Å; N141-M145 PolarHBondContact O-N 3.02Å; N141-M250 HydrophobicContact CB-CE 4.3Å; N141-M250 HydrophobicContact CB-CG 4.4Å; N141-M250 HydrophobicContact CB-SD 4.3Å; N141-M250 WeakPolarHBondContact OD1-CG 3.43Å
142T92.9Very high94.2Very high24 Ų2450.8 Ų50.815%0.14726%0.259CS..Hα-helixtrans-60.6-45.8176.6-56.80000111.8R138 T140 F144 M145 L146 A333R138-T142 WeakPolarHBondContact O-CB 3.42Å; R138-T142 PolarHBondContact O-N 3.48Å; R138-T142 PolarHBondContact O-OG1 3.37Å; T140-T142 PolarHBondContact O-N 3.38Å; T142-F144 PolarHBondContact O-N 3.34Å; T142-M145 PolarHBondContact O-N 2.93Å; T142-L146 HydrophobicContact CG2-CD1 4.38Å; T142-L146 VanDerWaalsContact O-CG 3.31Å; T142-L146 WeakPolarHBondContact O-CG 3.42Å; T142-L146 PolarHBondContact O-N 3.19Å; T142-L146 VanDerWaalsContact O-N 3.14Å; T142-A333 HydrophobicContact CG2-CB 3.6Å
143S94.3Very high94.3Very high33 Ų3348.7 Ų48.723%0.23125%0.249CC..Hα-helixtrans-60.7-45.9176-178.50000112.1K139 T140 N141 L146 Q147K139-S143 WeakPolarHBondContact O-CB 3.36Å; K139-S143 PolarHBondContact O-N 3.4Å; T140-S143 PolarHBondContact O-N 2.86Å; N141-S143 PolarHBondContact O-N 2.96Å; S143-L146 PolarHBondContact O-N 2.93Å; S143-Q147 VanDerWaalsContact O-CG 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.48Å; S143-Q147 PolarHBondContact O-N 3.44Å; S143-Q147 PolarHBondContact OG-NE2 2.9Å
144F96.6Very high94.4Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-67.2-39.7179.9-75.96.4000112.3M127 Y130 L131 T140 N141 T142 L146 Q147 L148 I172 P184 L186 M250M127-F144 HydrophobicContact CE-CD2 4.31Å; Y130-F144 AromaticContact CD1-CE2 3.92Å; Y130-F144 HydrophobicContact CD1-CE2 3.92Å; Y130-F144 HydrophobicContact CD1-CZ 4.05Å; Y130-F144 HydrophobicContact CE1-CE2 4.03Å; Y130-F144 AromaticContact CE1-CZ 3.81Å; Y130-F144 HydrophobicContact CE1-CZ 3.81Å; L131-F144 HydrophobicContact CD2-CD2 4.21Å; L131-F144 HydrophobicContact CD2-CE2 4.09Å; L131-F144 HydrophobicContact CG-CE2 4.48Å; T140-F144 HydrophobicContact CG2-CD1 4.28Å; T140-F144 HydrophobicContact CG2-CD2 4.12Å; T140-F144 HydrophobicContact CG2-CE1 4.09Å; T140-F144 HydrophobicContact CG2-CE2 3.91Å; T140-F144 HydrophobicContact CG2-CG 4.31Å; T140-F144 HydrophobicContact CG2-CZ 3.9Å; T140-F144 WeakPolarHBondContact O-CB 3.21Å; T140-F144 WeakPolarHBondContact O-CG 3.47Å; T140-F144 PolarHBondContact O-N 3.24Å; N141-F144 PolarHBondContact O-N 2.89Å; T142-F144 PolarHBondContact O-N 3.34Å; F144-L146 VanDerWaalsContact C-N 3.32Å; F144-L146 PolarHBondContact O-N 2.9Å; F144-Q147 PolarHBondContact O-N 3.18Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 VanDerWaalsContact O-CG 3.29Å; F144-L148 WeakPolarHBondContact O-CG 3.46Å; F144-L148 PolarHBondContact O-N 3.39Å; F144-I172 HydrophobicContact CE1-CD1 4.47Å; F144-I172 HydrophobicContact CE2-CD1 3.88Å; F144-I172 HydrophobicContact CZ-CD1 3.69Å; F144-P184 HydrophobicContact CE1-CB 4.01Å; F144-P184 HydrophobicContact CE1-CG 3.76Å; F144-P184 HydrophobicContact CZ-CB 4.04Å; F144-P184 HydrophobicContact CZ-CG 3.95Å; F144-L186 HydrophobicContact CB-CD2 3.71Å; F144-L186 HydrophobicContact CD1-CD2 3.85Å; F144-L186 HydrophobicContact CD2-CD2 4.36Å; F144-L186 HydrophobicContact CG-CD2 3.74Å; F144-M250 HydrophobicContact CB-CE 4.32Å; F144-M250 HydrophobicContact CB-SD 3.95Å; F144-M250 HydrophobicContact CD2-SD 4.23Å
145M96.1Very high94.6Very high13 Ų1341 Ų416%0.06421%0.208CC..Hα-helixtrans-56.7-46.4173.2-73.4-172.4-63.600111.5N141 T142 L148 G149 I247 M250 V251 M304 L329N141-M145 WeakPolarHBondContact O-CB 3.47Å; N141-M145 VanDerWaalsContact O-CG 3.24Å; N141-M145 WeakPolarHBondContact O-CG 3.15Å; N141-M145 PolarHBondContact O-N 3.02Å; T142-M145 PolarHBondContact O-N 2.93Å; M145-L148 PolarHBondContact O-N 3.09Å; M145-G149 PolarHBondContact O-N 3.29Å; M145-I247 HydrophobicContact CG-CD1 4.21Å; M145-I247 HydrophobicContact CG-CG1 4.05Å; M145-I247 HydrophobicContact CG-CG2 4.02Å; M145-I247 HydrophobicContact SD-CG2 3.57Å; M145-I247 VanDerWaalsContact SD-CG2 3.57Å; M145-M250 HydrophobicContact CG-CE 3.45Å; M145-M250 VanDerWaalsContact CG-CE 3.45Å; M145-M250 HydrophobicContact SD-CE 4.5Å; M145-V251 HydrophobicContact SD-CG2 4.11Å; M145-M304 HydrophobicContact CE-CE 3.76Å; M145-M304 HydrophobicContact SD-CE 3.42Å; M145-M304 WeakPolarHBondContact SD-CE 3.25Å; M145-M304 HydrophobicContact SD-SD 4.13Å; M145-L329 HydrophobicContact CB-CD2 4.43Å
146L97.1Very high94.8Very high56 Ų5632.4 Ų32.429%0.29317%0.171SC..Hα-helixtrans-64.8-45.4179.1-67.1173.3000112T142 S143 F144 L148 G149 S150 L329 V330 A333T142-L146 HydrophobicContact CG2-CD1 4.38Å; T142-L146 VanDerWaalsContact O-CG 3.31Å; T142-L146 WeakPolarHBondContact O-CG 3.42Å; T142-L146 PolarHBondContact O-N 3.19Å; T142-L146 VanDerWaalsContact O-N 3.14Å; S143-L146 PolarHBondContact O-N 2.93Å; F144-L146 VanDerWaalsContact C-N 3.32Å; F144-L146 PolarHBondContact O-N 2.9Å; L146-L148 PolarHBondContact O-N 3.17Å; L146-G149 PolarHBondContact O-N 2.96Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.35Å; L146-L329 HydrophobicContact CD2-CB 4.15Å; L146-V330 HydrophobicContact CD2-CB 4.36Å; L146-V330 HydrophobicContact CD2-CG2 3.85Å; L146-A333 HydrophobicContact CD1-CB 3.94Å; L146-A333 HydrophobicContact CD2-CB 3.95Å; L146-A333 HydrophobicContact CG-CB 4.23Å
147Q98Very high95.1Very high22 Ų2238.2 Ų38.210%0.10318%0.181CC..Hα-helixtrans-63-39.8178.2-72.2-17964.200112.2N66 S143 F144 A151 P184 T185 L186N66-Q147 WeakPolarHBondContact ND2-CG 3.42Å; N66-Q147 PolarHBondContact ND2-OE1 3.33Å; S143-Q147 VanDerWaalsContact O-CG 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.48Å; S143-Q147 PolarHBondContact O-N 3.44Å; S143-Q147 PolarHBondContact OG-NE2 2.9Å; F144-Q147 PolarHBondContact O-N 3.18Å; Q147-A151 WeakPolarHBondContact O-CB 3.25Å; Q147-A151 PolarHBondContact O-N 3.46Å; Q147-P184 PolarHBondContact NE2-O 3.21Å; Q147-T185 VanDerWaalsContact OE1-CA 3.28Å; Q147-L186 HydrophobicContact CB-CD1 3.85Å; Q147-L186 HydrophobicContact CB-CD2 3.78Å; Q147-L186 HydrophobicContact CB-CG 3.61Å; Q147-L186 HydrophobicContact CG-CG 4.48Å
148L98.4Very high95.3Very high3 Ų338 Ų382%0.01618%0.177CC..Hα-helixtrans-67.8-44.7176.1-73.2166.8000112.3M127 F144 M145 L146 S150 A151 L152 I170 L186 V188 L243 I246M127-L148 HydrophobicContact CE-CD1 4.11Å; M127-L148 HydrophobicContact SD-CD1 4.28Å; F144-L148 WeakPolarHBondContact O-CB 3.35Å; F144-L148 VanDerWaalsContact O-CG 3.29Å; F144-L148 WeakPolarHBondContact O-CG 3.46Å; F144-L148 PolarHBondContact O-N 3.39Å; M145-L148 PolarHBondContact O-N 3.09Å; L146-L148 PolarHBondContact O-N 3.17Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 3.37Å; L148-A151 PolarHBondContact O-N 2.8Å; L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 PolarHBondContact O-N 3.1Å; L148-I170 HydrophobicContact CD2-CD1 3.57Å; L148-I170 HydrophobicContact CD2-CG1 4.05Å; L148-I170 HydrophobicContact CD2-CG2 4.2Å; L148-L186 HydrophobicContact CD1-CD2 4.35Å; L148-L186 HydrophobicContact CD2-CD1 3.78Å; L148-L186 HydrophobicContact CD2-CD2 4.13Å; L148-L186 HydrophobicContact CG-CD1 4.06Å; L148-L186 HydrophobicContact CG-CD2 3.74Å; L148-V188 HydrophobicContact CD2-CG2 4.34Å; L148-L243 HydrophobicContact CB-CD1 3.66Å; L148-L243 HydrophobicContact CB-CD2 4.4Å; L148-L243 HydrophobicContact CD1-CD1 3.77Å; L148-L243 HydrophobicContact CD2-CD1 4.47Å; L148-L243 HydrophobicContact CG-CD1 4.16Å; L148-I246 HydrophobicContact CD1-CG2 4.09Å
149G98.2Very high95.4Very high1 Ų135 Ų351%0.0117%0.167CC..Hα-helixtrans-57.3-44.7175.400000111.6M145 L146 L152 A153M145-G149 PolarHBondContact O-N 3.29Å; L146-G149 PolarHBondContact O-N 2.96Å; G149-L152 PolarHBondContact O-N 3.36Å; G149-A153 WeakPolarHBondContact O-CB 3.43Å; G149-A153 PolarHBondContact O-N 2.84Å
150S98.4Very high95.5Very high28 Ų2827 Ų2720%0.19613%0.133CC..Hα-helixtrans-66.9-44178.1-159.10000113H64 L146 L148 L152 A153 F154 E326H64-S150 PolarHBondContact NE2-OG 3.38Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.35Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 3.37Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-L152 PolarHBondContact O-N 3.35Å; S150-A153 PolarHBondContact O-N 3.42Å; S150-F154 WeakPolarHBondContact O-CB 3.44Å; S150-F154 PolarHBondContact O-N 2.82Å; S150-E326 VanDerWaalsContact CA-OE1 3.25Å; S150-E326 WeakPolarHBondContact CA-OE1 3.39Å; S150-E326 WeakPolarHBondContact CB-OE1 3.37Å; S150-E326 PolarHBondContact OG-OE1 3.15Å
151A98.3Very high95.6Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-57.8-45.4174.600000112N66 V67 Q147 L148 F154 L155 V188N66-A151 HydrophobicContact CB-CB 3.77Å; N66-A151 WeakPolarHBondContact O-CB 3.41Å; V67-A151 HydrophobicContact CG2-CB 4.15Å; Q147-A151 WeakPolarHBondContact O-CB 3.25Å; Q147-A151 PolarHBondContact O-N 3.46Å; L148-A151 PolarHBondContact O-N 2.8Å; A151-F154 WeakPolarHBondContact O-CB 3.34Å; A151-F154 PolarHBondContact O-N 2.81Å; A151-L155 WeakPolarHBondContact O-CG 3.36Å; A151-L155 PolarHBondContact O-N 3.05Å; A151-V188 HydrophobicContact CB-CG2 3.7Å
152L97.9Very high95.6Very high5 Ų525.2 Ų25.23%0.02612%0.122CC..Hα-helixtrans-70-41.7-177.2-168.960.1000112.1L148 G149 S150 F154 L155 H156 D239 I240 L243 A322L148-L152 WeakPolarHBondContact O-CB 3.32Å; L148-L152 PolarHBondContact O-N 3.1Å; G149-L152 PolarHBondContact O-N 3.36Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-L152 PolarHBondContact O-N 3.35Å; L152-F154 VanDerWaalsContact C-N 3.27Å; L152-F154 PolarHBondContact O-N 2.8Å; L152-L155 PolarHBondContact O-N 2.87Å; L152-H156 WeakPolarHBondContact CD1-NE2 3.4Å; L152-H156 PolarHBondContact O-N 3.28Å; L152-D239 HydrophobicContact CD1-CB 3.71Å; L152-D239 HydrophobicContact CD2-CB 4.19Å; L152-I240 HydrophobicContact CD2-CD1 3.71Å; L152-L243 HydrophobicContact CB-CD2 4.38Å; L152-L243 HydrophobicContact CD2-CB 4.3Å; L152-L243 HydrophobicContact CD2-CD2 3.66Å; L152-A322 HydrophobicContact CG-CB 4.08Å
153A97.6Very high95.5Very high10 Ų1024.7 Ų24.78%0.08312%0.117CC..Hα-helixtrans-58.3-41.9172.900000111.4G149 S150 R157 A322 E326G149-A153 WeakPolarHBondContact O-CB 3.43Å; G149-A153 PolarHBondContact O-N 2.84Å; S150-A153 PolarHBondContact O-N 3.42Å; A153-R157 VanDerWaalsContact O-CB 3.24Å; A153-R157 WeakPolarHBondContact O-CB 3.34Å; A153-R157 PolarHBondContact O-N 3.5Å; A153-A322 HydrophobicContact CB-CB 4.34Å; A153-E326 HydrophobicContact CB-CB 4.14Å; A153-E326 WeakPolarHBondContact CB-OE2 3.47Å
154F97.5Very high95.3Very high22 Ų2223.9 Ų23.910%0.09611%0.111CC..Hα-helixtrans-62.2-47.8175.3176.4-93.1000112.6I60 S62 H64 V67 S150 A151 L152 R157 N158I60-F154 HydrophobicContact CG2-CE1 3.85Å; I60-F154 HydrophobicContact CG2-CZ 3.7Å; S62-F154 WeakPolarHBondContact O-CZ 3.13Å; H64-F154 HydrophobicContact CB-CD1 3.68Å; H64-F154 HydrophobicContact CB-CD2 3.9Å; H64-F154 HydrophobicContact CB-CE1 3.72Å; H64-F154 HydrophobicContact CB-CE2 3.95Å; H64-F154 HydrophobicContact CB-CG 3.77Å; H64-F154 HydrophobicContact CB-CZ 3.86Å; H64-F154 AromaticContact CD2-CD2 3.59Å; H64-F154 AromaticContact CD2-CG 3.61Å; H64-F154 AromaticContact CG-CD1 3.97Å; H64-F154 AromaticContact CG-CD2 3.94Å; H64-F154 AromaticContact CG-CG 3.67Å; V67-F154 HydrophobicContact CG2-CD1 3.86Å; V67-F154 HydrophobicContact CG2-CE1 4.4Å; S150-F154 WeakPolarHBondContact O-CB 3.44Å; S150-F154 PolarHBondContact O-N 2.82Å; A151-F154 WeakPolarHBondContact O-CB 3.34Å; A151-F154 PolarHBondContact O-N 2.81Å; L152-F154 VanDerWaalsContact C-N 3.27Å; L152-F154 PolarHBondContact O-N 2.8Å; F154-R157 PolarHBondContact O-N 3.41Å; F154-N158 WeakPolarHBondContact CE2-ND2 3.29Å; F154-N158 VanDerWaalsContact CZ-ND2 3.34Å; F154-N158 WeakPolarHBondContact CZ-ND2 3.45Å; F154-N158 PolarHBondContact O-N 2.85Å; F154-N158 VanDerWaalsContact O-N 3.15Å; F154-N158 PolarHBondContact O-ND2 3.41Å
155L95.8Very high95.2Very high1 Ų124.2 Ų24.21%0.00511%0.112CC..Hα-helixtrans-61.6-49.1179.3-70.8176.9000111.8I60 V67 A151 L152 R157 N158 Q159 I160 V188 F191I60-L155 HydrophobicContact CD1-CD2 4.47Å; V67-L155 HydrophobicContact CG1-CD2 4.06Å; V67-L155 HydrophobicContact CG2-CD2 4.05Å; V67-L155 HydrophobicContact CG2-CG 4.12Å; A151-L155 WeakPolarHBondContact O-CG 3.36Å; A151-L155 PolarHBondContact O-N 3.05Å; L152-L155 PolarHBondContact O-N 2.87Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.48Å; L155-N158 CarbonylContact O-C 3.55Å; L155-N158 WeakPolarHBondContact O-CA 3.28Å; L155-N158 PolarHBondContact O-N 2.87Å; L155-Q159 PolarHBondContact O-N 3.42Å; L155-I160 CarbonylContact C-O 3.52Å; L155-I160 HydrophobicContact CB-CB 4.46Å; L155-I160 HydrophobicContact CD2-CB 4.44Å; L155-I160 HydrophobicContact CD2-CD1 4.43Å; L155-I160 HydrophobicContact CD2-CG2 4.29Å; L155-I160 PolarHBondContact O-N 3.32Å; L155-V188 HydrophobicContact CD1-CG1 4.15Å; L155-F191 HydrophobicContact CD1-CE1 4.02Å; L155-F191 HydrophobicContact CD1-CZ 4.2Å; L155-F191 HydrophobicContact CD2-CE1 3.63Å; L155-F191 HydrophobicContact CD2-CZ 3.93Å; L155-F191 HydrophobicContact CG-CE1 4.49Å
156H95Very high95.1Very high11 Ų1125.2 Ų25.25%0.05112%0.116CC..Hα-helixtrans-65.2-35.7-179.3-73-171.2000112.1L152 N158 Q159 I160 V210 A236 D239 A322L152-H156 WeakPolarHBondContact CD1-NE2 3.4Å; L152-H156 PolarHBondContact O-N 3.28Å; H156-N158 VanDerWaalsContact C-N 3.28Å; H156-N158 PolarHBondContact O-N 2.84Å; H156-Q159 PolarHBondContact O-N 2.78Å; H156-Q159 PolarHBondContact O-NE2 2.79Å; H156-I160 PolarHBondContact CD2-O 2.87Å; H156-V210 HydrophobicContact CB-CG2 4.08Å; H156-V210 WeakPolarHBondContact O-CG2 3.44Å; H156-A236 PolarHBondContact CE1-O 2.9Å; H156-D239 IonicContact CD2-OD2 2.62Å; H156-D239 IonicContact CE1-OD2 3.26Å; H156-D239 IonicContact NE2-OD2 3.17Å; H156-D239 PolarHBondContact NE2-OD2 3.03Å; H156-A322 HydrophobicContact CB-CB 4.14Å; H156-A322 WeakPolarHBondContact ND1-CB 3.46Å
157R94.1Very high95.1Very high209 Ų20922.6 Ų22.679%0.78910%0.102SC*.Hα-helixtrans-61.1-36.9172.2178.7178.2169.5-169.7-3.4112.3A153 F154 L155 Q159A153-R157 VanDerWaalsContact O-CB 3.24Å; A153-R157 WeakPolarHBondContact O-CB 3.34Å; A153-R157 PolarHBondContact O-N 3.5Å; F154-R157 PolarHBondContact O-N 3.41Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 3.48Å; R157-Q159 PolarHBondContact O-N 3.48Å
158N92Very high94.8Very high38 Ų3823.7 Ų23.720%0.20311%0.109CC..THydrogen-bonded Turntrans-82.413.1175.2-72.6-83.6000113.3F154 L155 H156 I160F154-N158 WeakPolarHBondContact CE2-ND2 3.29Å; F154-N158 VanDerWaalsContact CZ-ND2 3.34Å; F154-N158 WeakPolarHBondContact CZ-ND2 3.45Å; F154-N158 PolarHBondContact O-N 2.85Å; F154-N158 VanDerWaalsContact O-N 3.15Å; F154-N158 PolarHBondContact O-ND2 3.41Å; L155-N158 CarbonylContact O-C 3.55Å; L155-N158 WeakPolarHBondContact O-CA 3.28Å; L155-N158 PolarHBondContact O-N 2.87Å; H156-N158 VanDerWaalsContact C-N 3.28Å; H156-N158 PolarHBondContact O-N 2.84Å; N158-I160 VanDerWaalsContact C-N 3.26Å; N158-I160 HydrophobicContact CB-CD1 4.18Å; N158-I160 HydrophobicContact CB-CG1 4.48Å; N158-I160 PolarHBondContact O-N 2.99Å
159Q90.9Very high94.6Very high51 Ų5124.2 Ų24.224%0.23811%0.112CC..THydrogen-bonded Turntrans60.230.3-178.9-53.8-56.7-64.800114.5L155 H156 R157 C197 A208 V210L155-Q159 PolarHBondContact O-N 3.42Å; H156-Q159 PolarHBondContact O-N 2.78Å; H156-Q159 PolarHBondContact O-NE2 2.79Å; R157-Q159 PolarHBondContact O-N 3.48Å; Q159-C197 HydrophobicContact CB-CB 4.4Å; Q159-C197 PolarHBondContact O-N 3.05Å; Q159-A208 PolarHBondContact OE1-O 2.93Å; Q159-V210 VanDerWaalsContact C-CG1 3.49Å; Q159-V210 VanDerWaalsContact CA-CG1 3.43Å; Q159-V210 HydrophobicContact CB-CG1 4.01Å
160I91.8Very high94.6Very high0 Ų024.1 Ų24.10%011%0.111CC..EExtended strand (participates in β ladder)trans-107.5123.6177.3-60.8166000108.9A56 I60 L155 H156 N158 F191 K195 V196A56-I160 WeakPolarHBondContact O-CD1 3.33Å; I60-I160 HydrophobicContact CD1-CD1 3.92Å; I60-I160 HydrophobicContact CG1-CD1 3.47Å; I60-I160 VanDerWaalsContact CG1-CD1 3.47Å; L155-I160 CarbonylContact C-O 3.52Å; L155-I160 HydrophobicContact CB-CB 4.46Å; L155-I160 HydrophobicContact CD2-CB 4.44Å; L155-I160 HydrophobicContact CD2-CD1 4.43Å; L155-I160 HydrophobicContact CD2-CG2 4.29Å; L155-I160 PolarHBondContact O-N 3.32Å; H156-I160 PolarHBondContact CD2-O 2.87Å; N158-I160 VanDerWaalsContact C-N 3.26Å; N158-I160 HydrophobicContact CB-CD1 4.18Å; N158-I160 HydrophobicContact CB-CG1 4.48Å; N158-I160 PolarHBondContact O-N 2.99Å; I160-F191 HydrophobicContact CG2-CD1 4.16Å; I160-F191 HydrophobicContact CG2-CE1 4.18Å; I160-K195 WeakPolarHBondContact CA-O 3.43Å; I160-V196 HydrophobicContact CG1-CG2 4.42Å
161I92.9Very high94.5Very high1 Ų125.2 Ų25.21%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-102.9128.9169.3-52.3172.5000107.5R163 S194 K195 V210 C213 A236 D239I161-R163 HydrophobicContact CB-CG 4.27Å; I161-R163 HydrophobicContact CG2-CG 3.71Å; I161-S194 CarbonylContact O-C 3.17Å; I161-S194 VanDerWaalsContact O-CA 3.23Å; I161-S194 WeakPolarHBondContact O-CA 3.4Å; I161-S194 WeakPolarHBondContact O-CB 3.34Å; I161-K195 PolarHBondContact N-O 2.82Å; I161-K195 PolarHBondContact O-N 3.03Å; I161-V210 HydrophobicContact CD1-CB 4.12Å; I161-V210 HydrophobicContact CD1-CG1 4.19Å; I161-V210 HydrophobicContact CG1-CB 3.96Å; I161-V210 HydrophobicContact CG1-CG1 3.81Å; I161-C213 HydrophobicContact CD1-CB 4.14Å; I161-A236 HydrophobicContact CD1-CB 4.43Å; I161-A236 HydrophobicContact CG1-CB 4.38Å; I161-D239 WeakPolarHBondContact CG2-OD2 3.28Å
162H93.3Very high94.5Very high1 Ų125.2 Ų25.21%0.00511%0.114CC..  trans-73.7-47.5-172.8-168.5-60.1000112.6D164 V188 A189 D190 S194 D239H162-D164 PolarHBondContact CE1-O 3.28Å; H162-D164 PolarHBondContact ND1-N 3.06Å; H162-D164 PolarHBondContact O-N 3.31Å; H162-V188 WeakPolarHBondContact CD2-CG1 3.25Å; H162-V188 WeakPolarHBondContact NE2-CG1 3.26Å; H162-A189 PolarHBondContact CE1-O 3.32Å; H162-A189 PolarHBondContact NE2-O 3.05Å; H162-D190 PolarHBondContact CE1-O 3.5Å; H162-S194 WeakPolarHBondContact O-CA 3.38Å; H162-S194 PolarHBondContact O-N 3.27Å; H162-S194 PolarHBondContact O-OG 2.96Å; H162-S194 VanDerWaalsContact O-OG 3.07Å; H162-D239 PolarHBondContact N-OD1 3.36Å; H162-D239 PolarHBondContact N-OD2 3.24Å
163R90.9Very high94.3Very high14 Ų1426.4 Ų26.45%0.05312%0.123CC..SBendtrans68-0.8176.6-56.4175.860.4-151.88.6117.5I161 L193 T217 C219 Y234 D239I161-R163 HydrophobicContact CB-CG 4.27Å; I161-R163 HydrophobicContact CG2-CG 3.71Å; R163-L193 WeakPolarHBondContact CD-O 3.47Å; R163-L193 PolarHBondContact NH1-O 2.74Å; R163-T217 PolarHBondContact NH2-O 3.33Å; R163-C219 PolarHBondContact NH2-SG 3.48Å; R163-Y234 HydrophobicContact CB-CD1 4.4Å; R163-Y234 HydrophobicContact CG-CD1 4.23Å; R163-D239 PolarHBondContact N-OD1 2.92Å
164D90.9Very high93.8Very high16 Ų1630.6 Ų30.69%0.08614%0.141CC..  trans-148.144.7174-167.639.8000109.8H162 K166 N169 L193 T221H162-D164 PolarHBondContact CE1-O 3.28Å; H162-D164 PolarHBondContact ND1-N 3.06Å; H162-D164 PolarHBondContact O-N 3.31Å; D164-K166 PolarHBondContact O-N 3.02Å; D164-K166 IonicContact OD1-NZ 3.38Å; D164-K166 PolarHBondContact OD1-NZ 2.72Å; D164-K166 IonicContact OD2-NZ 3.97Å; D164-K166 PolarHBondContact OD2-NZ 2.88Å; D164-N169 PolarHBondContact O-ND2 2.95Å; D164-N169 PolarHBondContact OD2-ND2 3.34Å; D164-L193 HydrophobicContact CB-CB 4.27Å; D164-L193 HydrophobicContact CB-CD1 3.75Å; D164-T221 PolarHBondContact OD1-N 2.85Å; D164-T221 PolarHBondContact OD1-OG1 3.38Å
165L94.8Very high92.9Very high7 Ų730.7 Ų30.74%0.03715%0.148CC..  trans-73.3114.4179-170.969.8000108.8I170 V188 A242 L243 I246L165-I170 HydrophobicContact CD1-CD1 4.38Å; L165-I170 HydrophobicContact CD1-CG1 4.42Å; L165-V188 HydrophobicContact CD1-CG1 4.03Å; L165-V188 HydrophobicContact CD1-CG2 4.48Å; L165-A242 HydrophobicContact CB-CB 4.09Å; L165-L243 HydrophobicContact CD2-CB 3.91Å; L165-I246 HydrophobicContact CD2-CD1 4.1Å; L165-I246 HydrophobicContact CG-CD1 3.77Å
166K93.9Very high91.7Very high34 Ų3440.5 Ų40.515%0.14819%0.185CC..  trans-150.8160.3178.165.2-169.6-178.8-144.50110.6D164 D168 N169 I170 T221 Y224D164-K166 PolarHBondContact O-N 3.02Å; D164-K166 IonicContact OD1-NZ 3.38Å; D164-K166 PolarHBondContact OD1-NZ 2.72Å; D164-K166 IonicContact OD2-NZ 3.97Å; D164-K166 PolarHBondContact OD2-NZ 2.88Å; K166-D168 HydrophobicContact CD-CB 4.42Å; K166-D168 HydrophobicContact CG-CB 4.18Å; K166-D168 PolarHBondContact O-N 2.98Å; K166-N169 WeakPolarHBondContact CE-ND2 3.44Å; K166-N169 HydrophobicContact CG-CB 4.04Å; K166-N169 PolarHBondContact O-N 3.46Å; K166-I170 PolarHBondContact O-N 2.91Å; K166-T221 HydrophobicContact CD-CG2 4.45Å; K166-T221 VanDerWaalsContact CD-OG1 3.28Å; K166-T221 WeakPolarHBondContact CD-OG1 3.4Å; K166-T221 PolarHBondContact NZ-OG1 2.81Å; K166-Y224 HydrophobicContact CB-CD1 4.4Å; K166-Y224 HydrophobicContact CB-CD2 3.68Å; K166-Y224 HydrophobicContact CB-CE1 4.42Å; K166-Y224 HydrophobicContact CB-CE2 3.68Å; K166-Y224 HydrophobicContact CB-CG 4.04Å
167P95.8Very high90.5Very high0 Ų041.9 Ų41.90%019%0.194CC..G310 helixtrans-53.4-35.5178.8-3040.3000114.3M127 N128 N169 I170 Y224 I246 L266M127-P167 HydrophobicContact CB-CB 4.49Å; M127-P167 WeakPolarHBondContact CB-O 3.38Å; M127-P167 PolarHBondContact N-O 3.29Å; N128-P167 HydrophobicContact CB-CB 3.79Å; P167-N169 VanDerWaalsContact C-N 3.27Å; P167-N169 PolarHBondContact O-N 2.85Å; P167-I170 PolarHBondContact O-N 3.19Å; P167-Y224 WeakPolarHBondContact CD-OH 3.42Å; P167-Y224 HydrophobicContact CG-CE1 4Å; P167-I246 HydrophobicContact CG-CG1 4.14Å; P167-L266 HydrophobicContact CG-CB 4.11Å
168D92.1Very high89Confident45 Ų4542.8 Ų42.824%0.24120%0.204CC..G310 helixtrans-64.8-29176.7-56.3-104000113.3K166 I170K166-D168 HydrophobicContact CD-CB 4.42Å; K166-D168 HydrophobicContact CG-CB 4.18Å; K166-D168 PolarHBondContact O-N 2.98Å; D168-I170 VanDerWaalsContact C-N 3.32Å
169N95.1Very high87.8Confident14 Ų1445.1 Ų45.18%0.07523%0.229CC..G310 helixtrans-91.87.9178.9-71.4-7.8000112.5D164 K166 P167 A189 D190D164-N169 PolarHBondContact O-ND2 2.95Å; D164-N169 PolarHBondContact OD2-ND2 3.34Å; K166-N169 WeakPolarHBondContact CE-ND2 3.44Å; K166-N169 HydrophobicContact CG-CB 4.04Å; K166-N169 PolarHBondContact O-N 3.46Å; P167-N169 VanDerWaalsContact C-N 3.27Å; P167-N169 PolarHBondContact O-N 2.85Å; N169-A189 PolarHBondContact O-N 2.78Å; N169-D190 HydrophobicContact CB-CB 4.41Å
170I97.6Very high86.7Confident0 Ų044.7 Ų44.70%024%0.239CC..EExtended strand (participates in β ladder)trans-112.2107.9175.8-63158.4000107.6D126 M127 L148 L165 K166 P167 D168 L186 I246D126-I170 CarbonylContact C-O 3.59Å; D126-I170 WeakPolarHBondContact CA-O 3.39Å; M127-I170 HydrophobicContact CB-CB 3.84Å; M127-I170 HydrophobicContact CB-CG2 3.87Å; M127-I170 WeakPolarHBondContact CB-O 3.27Å; M127-I170 HydrophobicContact CG-CG2 4.42Å; M127-I170 PolarHBondContact N-O 3.42Å; M127-I170 HydrophobicContact SD-CB 4.11Å; M127-I170 HydrophobicContact SD-CD1 3.75Å; M127-I170 HydrophobicContact SD-CG2 3.83Å; L148-I170 HydrophobicContact CD2-CD1 3.57Å; L148-I170 HydrophobicContact CD2-CG1 4.05Å; L148-I170 HydrophobicContact CD2-CG2 4.2Å; L165-I170 HydrophobicContact CD1-CD1 4.38Å; L165-I170 HydrophobicContact CD1-CG1 4.42Å; K166-I170 PolarHBondContact O-N 2.91Å; P167-I170 PolarHBondContact O-N 3.19Å; D168-I170 VanDerWaalsContact C-N 3.32Å; I170-L186 HydrophobicContact CG2-CB 3.82Å; I170-L186 HydrophobicContact CG2-CD1 4.17Å; I170-L186 HydrophobicContact CG2-CD2 4.4Å; I170-L186 HydrophobicContact CG2-CG 4.35Å; I170-I246 HydrophobicContact CD1-CD1 4.04Å; I170-I246 HydrophobicContact CD1-CG2 4.43Å
171L97.2Very high85.8Confident50 Ų5048 Ų4826%0.26226%0.259SS..EExtended strand (participates in β ladder)trans-91.2148.8-176.5-58-178.9000111.4I68 C122 D126 L186 K187 A189I68-L171 HydrophobicContact CD1-CD1 4.34Å; C122-L171 HydrophobicContact CB-CB 3.63Å; C122-L171 HydrophobicContact CB-CD1 4.22Å; D126-L171 HydrophobicContact CB-CD2 4.41Å; L171-L186 CarbonylContact O-C 3.56Å; L171-L186 VanDerWaalsContact O-CA 3.24Å; L171-L186 WeakPolarHBondContact O-CA 3.47Å; L171-K187 PolarHBondContact N-O 2.98Å; L171-K187 PolarHBondContact O-N 3.48Å; L171-A189 HydrophobicContact CD1-CB 3.75Å; L171-A189 HydrophobicContact CG-CB 3.86Å
172I97Very high84.9Confident0 Ų053.2 Ų53.20%029%0.293CS..EExtended strand (participates in β ladder)trans-109.9128.8179.8-52.4-56.4000109.9C122 G124 G125 M127 Y130 F144 P184 L186C122-I172 CarbonylContact C-O 3.53Å; C122-I172 WeakPolarHBondContact CB-O 3.41Å; G124-I172 WeakPolarHBondContact CA-O 3.29Å; G124-I172 PolarHBondContact N-O 3.47Å; G125-I172 PolarHBondContact O-N 3.19Å; M127-I172 HydrophobicContact CB-CD1 4.23Å; Y130-I172 HydrophobicContact CD1-CG1 4.4Å; Y130-I172 HydrophobicContact CD2-CB 4.13Å; Y130-I172 HydrophobicContact CD2-CG1 4.1Å; Y130-I172 HydrophobicContact CD2-CG2 3.77Å; Y130-I172 HydrophobicContact CE2-CG2 3.82Å; Y130-I172 HydrophobicContact CG-CB 4.41Å; Y130-I172 HydrophobicContact CG-CG1 3.85Å; Y130-I172 HydrophobicContact CG-CG2 4.27Å; F144-I172 HydrophobicContact CE1-CD1 4.47Å; F144-I172 HydrophobicContact CE2-CD1 3.88Å; F144-I172 HydrophobicContact CZ-CD1 3.69Å; I172-P184 HydrophobicContact CG2-CB 3.77Å; I172-L186 HydrophobicContact CD1-CB 3.76Å
173S94.5Very high84.5Confident30 Ų3057.8 Ų57.821%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-102.5126.2165.6-176.90000109G175 P184 T185S173-G175 VanDerWaalsContact C-N 3.26Å; S173-G175 PolarHBondContact O-N 3.39Å; S173-P184 WeakPolarHBondContact O-CA 3.33Å; S173-T185 PolarHBondContact N-O 2.91Å; S173-T185 PolarHBondContact O-N 2.8Å
174Q87.4Confident84.6Confident98 Ų9857.9 Ų57.946%0.45832%0.317SS..EExtended strand (participates in β ladder)trans-79.777.6179.5-61-16215.300110D123D123-Q174 PolarHBondContact OD1-N 3.32Å
175G77.8Confident84.8Confident24 Ų2459.4 Ų59.425%0.24733%0.327CS..EExtended strand (participates in β ladder)trans-68.2156.6171.400000112.9S173 E183S173-G175 VanDerWaalsContact C-N 3.26Å; S173-G175 PolarHBondContact O-N 3.39Å; G175-E183 CarbonylContact C-O 3.31Å; G175-E183 WeakPolarHBondContact CA-O 3.2Å; G175-E183 PolarHBondContact O-N 3.33Å
176R71.4Confident84.9Confident207 Ų20759.1 Ų59.178%0.78133%0.325SS*.EExtended strand (participates in β ladder)trans-124140.2165.2-61.4-174.6-174.1-164.81.3108.7T181R176-T181 WeakPolarHBondContact CA-O 3.47Å
177T69.9Low85.1Confident40 Ų4058.8 Ų58.825%0.24532%0.324CS..  trans-68.3168.4170.667.50000110.7A179 G180 T181 E183T177-A179 PolarHBondContact O-N 3.18Å; T177-A179 VanDerWaalsContact O-N 3.14Å; T177-A179 PolarHBondContact OG1-N 3.38Å; T177-G180 WeakPolarHBondContact O-CA 3.47Å; T177-G180 PolarHBondContact O-N 2.68Å; T177-T181 VanDerWaalsContact CG2-OG1 3.24Å; T177-T181 WeakPolarHBondContact CG2-OG1 3.47Å; T177-T181 PolarHBondContact N-O 3.01Å; T177-T181 PolarHBondContact OG1-N 2.63Å; T177-T181 VanDerWaalsContact OG1-N 3.16Å; T177-T181 PolarHBondContact OG1-O 3.37Å; T177-T181 PolarHBondContact OG1-OG1 3.48Å; T177-E183 HydrophobicContact CG2-CB 3.79Å; T177-E183 VanDerWaalsContact CG2-OE2 3.23Å; T177-E183 WeakPolarHBondContact CG2-OE2 3.38Å
178F61.7Low85.2Confident228 Ų22859 Ų59100%133%0.325SS*.THydrogen-bonded Turntrans-55.7-26.5168.9-69.8-77.4000113.2G180F178-G180 PolarHBondContact O-N 3.49Å
179A67.9Low85.3Confident88 Ų8857.2 Ų57.273%0.72732%0.316SS*.THydrogen-bonded Turntrans-83.45.3174.700000113.3T177 T181T177-A179 PolarHBondContact O-N 3.18Å; T177-A179 VanDerWaalsContact O-N 3.14Å; T177-A179 PolarHBondContact OG1-N 3.38Å; A179-T181 HydrophobicContact CB-CG2 4.49Å; A179-T181 PolarHBondContact O-N 2.97Å
180G67.8Low85Confident42 Ų4259 Ų5943%0.43333%0.326SS..SBendtrans74.86.1-179.400000114.6T177 F178T177-G180 WeakPolarHBondContact O-CA 3.47Å; T177-G180 PolarHBondContact O-N 2.68Å; F178-G180 PolarHBondContact O-N 3.49Å
181T71.7Confident84.5Confident69 Ų6959 Ų5942%0.42333%0.326SS..  trans-78.3136.3179.262.90000110.3R176 T177 A179 E183R176-T181 WeakPolarHBondContact CA-O 3.47Å; T177-T181 VanDerWaalsContact CG2-OG1 3.24Å; T177-T181 WeakPolarHBondContact CG2-OG1 3.47Å; T177-T181 PolarHBondContact N-O 3.01Å; T177-T181 PolarHBondContact OG1-N 2.63Å; T177-T181 VanDerWaalsContact OG1-N 3.16Å; T177-T181 PolarHBondContact OG1-O 3.37Å; T177-T181 PolarHBondContact OG1-OG1 3.48Å; A179-T181 HydrophobicContact CB-CG2 4.49Å; A179-T181 PolarHBondContact O-N 2.97Å; T181-E183 PolarHBondContact O-N 2.95Å
182P74.1Confident83.5Confident110 Ų11056.9 Ų56.971%0.71432%0.316SS*.EExtended strand (participates in β ladder)trans-59.1124.7174.3-2131.5000110.8
183E84.6Confident82.6Confident98 Ų9857.9 Ų57.946%0.45832%0.321SS..EExtended strand (participates in β ladder)trans-132.491.6172.2-174.9163.3-140.400107.7G175 T177 T181 T185G175-E183 CarbonylContact C-O 3.31Å; G175-E183 WeakPolarHBondContact CA-O 3.2Å; G175-E183 PolarHBondContact O-N 3.33Å; T177-E183 HydrophobicContact CG2-CB 3.79Å; T177-E183 VanDerWaalsContact CG2-OE2 3.23Å; T177-E183 WeakPolarHBondContact CG2-OE2 3.38Å; T181-E183 PolarHBondContact O-N 2.95Å; E183-T185 PolarHBondContact O-N 3.08Å
184P93.2Very high81.8Confident16 Ų1656.5 Ų56.510%0.10431%0.312CS..EExtended strand (participates in β ladder)trans-66.3132.4-179.328.6-35.4000109.7Y130 F144 Q147 I172 S173Y130-P184 HydrophobicContact CE1-CG 4.47Å; Y130-P184 HydrophobicContact CE2-CB 4.48Å; Y130-P184 WeakPolarHBondContact OH-CG 3.44Å; F144-P184 HydrophobicContact CE1-CB 4.01Å; F144-P184 HydrophobicContact CE1-CG 3.76Å; F144-P184 HydrophobicContact CZ-CB 4.04Å; F144-P184 HydrophobicContact CZ-CG 3.95Å; Q147-P184 PolarHBondContact NE2-O 3.21Å; I172-P184 HydrophobicContact CG2-CB 3.77Å; S173-P184 WeakPolarHBondContact O-CA 3.33Å
185T95.1Very high81.5Confident48 Ų4855.9 Ų55.929%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-105.5133171.1540000108.8Q147 S173 E183Q147-T185 VanDerWaalsContact OE1-CA 3.28Å; S173-T185 PolarHBondContact N-O 2.91Å; S173-T185 PolarHBondContact O-N 2.8Å; E183-T185 PolarHBondContact O-N 3.08Å
186L97.1Very high81.3Confident0 Ų056.7 Ų56.70%031%0.308CS..EExtended strand (participates in β ladder)trans-93.3150.8173.666.183.3000110.5N66 F144 Q147 L148 I170 L171 I172N66-L186 VanDerWaalsContact CA-O 3.25Å; N66-L186 WeakPolarHBondContact CA-O 3.45Å; N66-L186 HydrophobicContact CB-CD1 4.16Å; N66-L186 PolarHBondContact ND2-O 3.23Å; F144-L186 HydrophobicContact CB-CD2 3.71Å; F144-L186 HydrophobicContact CD1-CD2 3.85Å; F144-L186 HydrophobicContact CD2-CD2 4.36Å; F144-L186 HydrophobicContact CG-CD2 3.74Å; Q147-L186 HydrophobicContact CB-CD1 3.85Å; Q147-L186 HydrophobicContact CB-CD2 3.78Å; Q147-L186 HydrophobicContact CB-CG 3.61Å; Q147-L186 HydrophobicContact CG-CG 4.48Å; L148-L186 HydrophobicContact CD1-CD2 4.35Å; L148-L186 HydrophobicContact CD2-CD1 3.78Å; L148-L186 HydrophobicContact CD2-CD2 4.13Å; L148-L186 HydrophobicContact CG-CD1 4.06Å; L148-L186 HydrophobicContact CG-CD2 3.74Å; I170-L186 HydrophobicContact CG2-CB 3.82Å; I170-L186 HydrophobicContact CG2-CD1 4.17Å; I170-L186 HydrophobicContact CG2-CD2 4.4Å; I170-L186 HydrophobicContact CG2-CG 4.35Å; L171-L186 CarbonylContact O-C 3.56Å; L171-L186 VanDerWaalsContact O-CA 3.24Å; L171-L186 WeakPolarHBondContact O-CA 3.47Å; I172-L186 HydrophobicContact CD1-CB 3.76Å
187K97.6Very high81.4Confident28 Ų2847.4 Ų47.412%0.12227%0.274CS..EExtended strand (participates in β ladder)trans-135120174.9-75.8170.8175.6-88.60109.2P65 N66 I68 D120 L171 A189P65-K187 WeakPolarHBondContact O-CE 3.26Å; P65-K187 WeakPolarHBondContact O-CG 3.44Å; P65-K187 PolarHBondContact O-NZ 3.41Å; N66-K187 WeakPolarHBondContact O-CA 3.05Å; I68-K187 HydrophobicContact CD1-CB 4.4Å; I68-K187 HydrophobicContact CD1-CD 4.26Å; D120-K187 IonicContact OD2-NZ 2.63Å; D120-K187 PolarHBondContact OD2-NZ 3.41Å; L171-K187 PolarHBondContact N-O 2.98Å; L171-K187 PolarHBondContact O-N 3.48Å; K187-A189 PolarHBondContact O-N 2.9Å
188V97.8Very high80.7Confident4 Ų449.4 Ų49.42%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-66.3129.8171.1179.70000108.9N66 I68 L148 A151 L155 H162 L165 F191N66-V188 PolarHBondContact O-N 3.21Å; I68-V188 WeakPolarHBondContact CB-O 3.25Å; I68-V188 PolarHBondContact N-O 2.78Å; L148-V188 HydrophobicContact CD2-CG2 4.34Å; A151-V188 HydrophobicContact CB-CG2 3.7Å; L155-V188 HydrophobicContact CD1-CG1 4.15Å; H162-V188 WeakPolarHBondContact CD2-CG1 3.25Å; H162-V188 WeakPolarHBondContact NE2-CG1 3.26Å; L165-V188 HydrophobicContact CD1-CG1 4.03Å; L165-V188 HydrophobicContact CD1-CG2 4.48Å; V188-F191 HydrophobicContact CG1-CZ 4.31Å
189A94.9Very high79.9Confident8 Ų843.2 Ų43.27%0.06627%0.271CS..  trans-137.2175.5-173.200000111.7I68 H162 N169 L171 K187I68-A189 HydrophobicContact CB-CB 4.12Å; I68-A189 HydrophobicContact CG2-CB 4.21Å; H162-A189 PolarHBondContact CE1-O 3.32Å; H162-A189 PolarHBondContact NE2-O 3.05Å; N169-A189 PolarHBondContact O-N 2.78Å; L171-A189 HydrophobicContact CD1-CB 3.75Å; L171-A189 HydrophobicContact CG-CB 3.86Å; K187-A189 PolarHBondContact O-N 2.9Å
190D89.4Confident78.6Confident51 Ų5144.3 Ų44.327%0.27327%0.273SS..  trans62.683.7-178.9-155.5-3.9000115.4K37 H162 N169 G192K37-D190 IonicContact NZ-OD1 3.38Å; K37-D190 PolarHBondContact NZ-OD1 3.35Å; K37-D190 IonicContact NZ-OD2 2.82Å; H162-D190 PolarHBondContact CE1-O 3.5Å; N169-D190 HydrophobicContact CB-CB 4.41Å; D190-G192 PolarHBondContact OD1-N 3.17Å
191F87.4Confident77.3Confident0 Ų045.9 Ų45.90%029%0.289CS..  trans-95.515.5-177.7-67.8-99.3000113.1E53 A56 L57 V67 I68 L155 I160 V188 L193 S194E53-F191 HydrophobicContact CG-CB 4.18Å; A56-F191 HydrophobicContact CB-CB 3.91Å; A56-F191 HydrophobicContact CB-CD1 4.17Å; A56-F191 HydrophobicContact CB-CG 4.39Å; L57-F191 HydrophobicContact CD1-CD2 4.46Å; L57-F191 HydrophobicContact CD2-CD2 3.55Å; L57-F191 HydrophobicContact CD2-CE2 3.82Å; L57-F191 HydrophobicContact CD2-CG 4.06Å; L57-F191 HydrophobicContact CG-CB 4.31Å; L57-F191 HydrophobicContact CG-CD2 4.04Å; L57-F191 HydrophobicContact CG-CG 4.22Å; V67-F191 HydrophobicContact CG1-CE2 4.31Å; V67-F191 HydrophobicContact CG1-CZ 3.82Å; I68-F191 HydrophobicContact CG2-CD2 4.24Å; I68-F191 HydrophobicContact CG2-CE2 3.78Å; L155-F191 HydrophobicContact CD1-CE1 4.02Å; L155-F191 HydrophobicContact CD1-CZ 4.2Å; L155-F191 HydrophobicContact CD2-CE1 3.63Å; L155-F191 HydrophobicContact CD2-CZ 3.93Å; L155-F191 HydrophobicContact CG-CE1 4.49Å; I160-F191 HydrophobicContact CG2-CD1 4.16Å; I160-F191 HydrophobicContact CG2-CE1 4.18Å; V188-F191 HydrophobicContact CG1-CZ 4.31Å; F191-L193 PolarHBondContact O-N 2.69Å; F191-S194 VanDerWaalsContact CA-OG 3.29Å; F191-S194 WeakPolarHBondContact CA-OG 3.28Å; F191-S194 VanDerWaalsContact CD1-OG 3.26Å; F191-S194 WeakPolarHBondContact CD1-OG 3.39Å; F191-S194 VanDerWaalsContact O-CB 3.29Å; F191-S194 WeakPolarHBondContact O-CB 3.47Å; F191-S194 PolarHBondContact O-N 3.29Å; F191-S194 PolarHBondContact O-OG 3.31Å
192G75.1Confident75.8Confident5 Ų547.3 Ų47.35%0.05229%0.293CS..THydrogen-bonded Turntrans-59.6-31.5-177.100000114.4L49 D190L49-G192 VanDerWaalsContact CD2-O 3.28Å; L49-G192 WeakPolarHBondContact CD2-O 3.23Å; D190-G192 PolarHBondContact OD1-N 3.17Å
193L77.9Confident74.2Confident21 Ų2148 Ų4811%0.1129%0.291CS..THydrogen-bonded Turntrans-98.1-5.1176.8-63.9178.5000113.4L49 R163 D164 F191 C219L49-L193 HydrophobicContact CD2-CD2 3.57Å; R163-L193 WeakPolarHBondContact CD-O 3.47Å; R163-L193 PolarHBondContact NH1-O 2.74Å; D164-L193 HydrophobicContact CB-CB 4.27Å; D164-L193 HydrophobicContact CB-CD1 3.75Å; F191-L193 PolarHBondContact O-N 2.69Å; L193-C219 HydrophobicContact CD1-CB 3.93Å; L193-C219 HydrophobicContact CD2-CB 3.82Å; L193-C219 HydrophobicContact CG-CB 4.39Å
194S78.6Confident72.3Confident2 Ų250 Ų501%0.01431%0.313CS..  trans-64.9154.9-175.7-61.40000112.5I161 H162 F191I161-S194 CarbonylContact O-C 3.17Å; I161-S194 VanDerWaalsContact O-CA 3.23Å; I161-S194 WeakPolarHBondContact O-CA 3.4Å; I161-S194 WeakPolarHBondContact O-CB 3.34Å; H162-S194 WeakPolarHBondContact O-CA 3.38Å; H162-S194 PolarHBondContact O-N 3.27Å; H162-S194 PolarHBondContact O-OG 2.96Å; H162-S194 VanDerWaalsContact O-OG 3.07Å; F191-S194 VanDerWaalsContact CA-OG 3.29Å; F191-S194 WeakPolarHBondContact CA-OG 3.28Å; F191-S194 VanDerWaalsContact CD1-OG 3.26Å; F191-S194 WeakPolarHBondContact CD1-OG 3.39Å; F191-S194 VanDerWaalsContact O-CB 3.29Å; F191-S194 WeakPolarHBondContact O-CB 3.47Å; F191-S194 PolarHBondContact O-N 3.29Å; F191-S194 PolarHBondContact O-OG 3.31Å
195K80.8Confident70.1Confident85 Ų8558.1 Ų58.137%0.3735%0.349SS..EExtended strand (participates in β ladder)trans-124.2126.3176.7-174.269.1175.2-177.80110I160 I161 L215I160-K195 WeakPolarHBondContact CA-O 3.43Å; I161-K195 PolarHBondContact N-O 2.82Å; I161-K195 PolarHBondContact O-N 3.03Å; K195-L215 HydrophobicContact CB-CD1 3.78Å; K195-L215 HydrophobicContact CD-CD2 4.21Å; K195-L215 HydrophobicContact CG-CD1 3.77Å; K195-L215 HydrophobicContact CG-CD2 3.84Å; K195-L215 HydrophobicContact CG-CG 4.48Å
196V74.4Confident67.7Low41 Ų4160.7 Ų60.725%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-86.4116.6164.3-172.90000107.6A56 I160 S198A56-V196 HydrophobicContact CB-CG2 4.16Å; I160-V196 HydrophobicContact CG1-CG2 4.42Å; V196-S198 PolarHBondContact O-N 3.08Å
197C72.9Confident65.2Low12 Ų1266 Ų668%0.08139%0.392CS..  trans-80.9105.9172.9-78.40000109.2Q159 V210 C213Q159-C197 HydrophobicContact CB-CB 4.4Å; Q159-C197 PolarHBondContact O-N 3.05Å; C197-V210 HydrophobicContact CB-CG1 3.97Å; C197-C213 WeakPolarHBondContact CB-SG 3.5Å; C197-C213 WeakPolarHBondContact SG-CB 3.18Å; C197-C213 CovalentContact SG-SG 2.06Å; C197-C213 PolarHBondContact SG-SG 3.11Å
198S54.8Low63Low82 Ų8265.5 Ų65.557%0.57339%0.393SS*.  trans-86.8150.7168.8-54.50000110.7V196 S200V196-S198 PolarHBondContact O-N 3.08Å; S198-S200 WeakPolarHBondContact CB-OG 3.4Å; S198-S200 PolarHBondContact O-N 3.31Å
199T45.7Very low60.9Low98 Ų9867 Ų6760%0.60140%0.404SS*.SBendtrans-62-0.9173.245.40000115G201 A208T199-G201 PolarHBondContact O-N 3.46Å; T199-A208 HydrophobicContact CG2-CB 3.44Å; T199-A208 VanDerWaalsContact CG2-CB 3.44Å
200S39.2Very low59.4Low111 Ų11166.8 Ų66.878%0.77640%0.402SS*.THydrogen-bonded Turntrans-79.444.3-169.1-29.70000114.5S198S198-S200 WeakPolarHBondContact CB-OG 3.4Å; S198-S200 PolarHBondContact O-N 3.31Å
201G40.8Very low57.5Low74 Ų7467.6 Ų67.676%0.76341%0.406SS*.THydrogen-bonded Turntrans-175.9-4.1178.500000117.2T199T199-G201 PolarHBondContact O-N 3.46Å
202L40.7Very low55.8Low99 Ų9972.9 Ų72.952%0.51843%0.429SS..SBendtrans-116.8148.9172.3-68.1167.2000108.2
203N40.3Very low54.5Low125 Ų12573.5 Ų73.567%0.66843%0.433SS*.  trans-36.2135.4-175-71.6-31.6000112.8E205 E206N203-E205 PolarHBondContact O-N 3.39Å; N203-E206 PolarHBondContact O-N 2.64Å
204P44.3Very low53.2Low140 Ų14079.9 Ų79.991%0.90946%0.46SS*.THydrogen-bonded Turntrans-55.4-11.8-178-24.531.9000115.9
205E47.3Very low52.1Low187 Ų18781.2 Ų81.287%0.87447%0.467SS*.THydrogen-bonded Turntrans-98.9-7.4-178.8-56.8-158.4162.200114.2N203N203-E205 PolarHBondContact O-N 3.39Å
206E45.1Very low50.4Low101 Ų10182.3 Ų82.347%0.47249%0.485SS..SBendtrans-108.8124.6172-72.3-156.9-177.900111.3N203 A208 K212N203-E206 PolarHBondContact O-N 2.64Å; E206-A208 PolarHBondContact O-N 3.32Å; E206-K212 IonicContact OE2-NZ 3.47Å; E206-K212 PolarHBondContact OE2-NZ 3Å
207P44.6Very low49.2Very low111 Ų11183.5 Ų83.572%0.72149%0.493SS*.  trans-62132173.124.6-30.8000109.6S209P207-S209 PolarHBondContact O-N 3.41Å
208A50.7Low48.2Very low18 Ų1887 Ų8715%0.14952%0.522CS..  trans-55.9130.917200000109.5Q159 T199 E206Q159-A208 PolarHBondContact OE1-O 2.93Å; T199-A208 HydrophobicContact CG2-CB 3.44Å; T199-A208 VanDerWaalsContact CG2-CB 3.44Å; E206-A208 PolarHBondContact O-N 3.32Å
209S54.2Low48.1Very low35 Ų3584.1 Ų84.125%0.24550%0.502CS..  trans-128.3124.1176.3-176.90000107.8P207 N211 K212 C213P207-S209 PolarHBondContact O-N 3.41Å; S209-N211 PolarHBondContact O-N 3.07Å; S209-N211 PolarHBondContact OG-N 3.36Å; S209-K212 PolarHBondContact O-N 2.79Å; S209-C213 PolarHBondContact O-N 3.29Å
210V62.7Low48.8Very low4 Ų480.7 Ų80.72%0.02449%0.486CS..G310 helixtrans-51.8-25.6169.6-74.30000113.2H156 Q159 I161 C197 K212 C213 A236H156-V210 HydrophobicContact CB-CG2 4.08Å; H156-V210 WeakPolarHBondContact O-CG2 3.44Å; Q159-V210 VanDerWaalsContact C-CG1 3.49Å; Q159-V210 VanDerWaalsContact CA-CG1 3.43Å; Q159-V210 HydrophobicContact CB-CG1 4.01Å; I161-V210 HydrophobicContact CD1-CB 4.12Å; I161-V210 HydrophobicContact CD1-CG1 4.19Å; I161-V210 HydrophobicContact CG1-CB 3.96Å; I161-V210 HydrophobicContact CG1-CG1 3.81Å; C197-V210 HydrophobicContact CB-CG1 3.97Å; V210-K212 PolarHBondContact O-N 3.22Å; V210-C213 PolarHBondContact O-N 2.92Å; V210-A236 HydrophobicContact CB-CB 3.98Å; V210-A236 HydrophobicContact CG2-CB 4.08Å; V210-A236 WeakPolarHBondContact O-CB 3.42Å; V210-A236 PolarHBondContact O-N 2.97Å
211N50.5Low50.6Low68 Ų6877.3 Ų77.336%0.36446%0.461SS..G310 helixtrans-70.2-14.4175.7-65.3-31.4000113.6S209S209-N211 PolarHBondContact O-N 3.07Å; S209-N211 PolarHBondContact OG-N 3.36Å
212K51.3Low52.7Low111 Ų11177.5 Ų77.548%0.48345%0.445SS..G310 helixtrans-114.3-0.5177-64.8-178.7174.5179.30113E206 S209 V210 F214E206-K212 IonicContact OE2-NZ 3.47Å; E206-K212 PolarHBondContact OE2-NZ 3Å; S209-K212 PolarHBondContact O-N 2.79Å; V210-K212 PolarHBondContact O-N 3.22Å; K212-F214 WeakPolarHBondContact O-CD2 3.5Å; K212-F214 PolarHBondContact O-N 2.9Å
213C48Very low55.1Low19 Ų1974.2 Ų74.213%0.12843%0.426CS..  trans-74.3124178.2-73.60000110.4I161 C197 S209 V210I161-C213 HydrophobicContact CD1-CB 4.14Å; C197-C213 WeakPolarHBondContact CB-SG 3.5Å; C197-C213 WeakPolarHBondContact SG-CB 3.18Å; C197-C213 CovalentContact SG-SG 2.06Å; C197-C213 PolarHBondContact SG-SG 3.11Å; S209-C213 PolarHBondContact O-N 3.29Å; V210-C213 PolarHBondContact O-N 2.92Å
214F50.5Low57.6Low154 Ų15468.7 Ų68.768%0.67540%0.396SS*.  trans-106134.2168.2-65.5-85.8000109.3K212 T235K212-F214 WeakPolarHBondContact O-CD2 3.5Å; K212-F214 PolarHBondContact O-N 2.9Å; F214-T235 HydrophobicContact CD1-CG2 4.33Å; F214-T235 HydrophobicContact CE1-CG2 4.36Å
215L55.2Low59.9Low30 Ų3063.1 Ų63.116%0.15736%0.358CS..BIsolated β-bridgetrans-130.9149177.2-45.8163000109.8K195 Y234K195-L215 HydrophobicContact CB-CD1 3.78Å; K195-L215 HydrophobicContact CD-CD2 4.21Å; K195-L215 HydrophobicContact CG-CD1 3.77Å; K195-L215 HydrophobicContact CG-CD2 3.84Å; K195-L215 HydrophobicContact CG-CG 4.48Å; L215-Y234 PolarHBondContact N-O 2.95Å; L215-Y234 PolarHBondContact O-N 3.42Å; L215-Y234 VanDerWaalsContact O-N 3.08Å
216S44.5Very low62.1Low109 Ų10954.2 Ų54.276%0.76232%0.317SS*.  trans-109.63.1-168.4550000116.5G232S216-G232 VanDerWaalsContact CA-O 3.26Å; S216-G232 WeakPolarHBondContact CA-O 3.37Å
217T51Low64.3Low66 Ų6649.4 Ų49.441%0.40529%0.294SS..  trans-97.9118-176-45.20000111.3R163 C219 Y234R163-T217 PolarHBondContact NH2-O 3.33Å; T217-C219 PolarHBondContact O-N 2.82Å; T217-Y234 WeakPolarHBondContact O-CE2 3.29Å
218A50.7Low66.5Low85 Ų8544.9 Ų44.970%0.70226%0.263SS*.  trans-63.9117.8170.500000110.9Y234A218-Y234 WeakPolarHBondContact CA-OH 3.26Å
219C54.1Low68.2Low22 Ų2244.2 Ų44.215%0.14926%0.258CS..  trans-162.8142174.764.10000110.8R163 L193 T217 Y234R163-C219 PolarHBondContact NH2-SG 3.48Å; L193-C219 HydrophobicContact CD1-CB 3.93Å; L193-C219 HydrophobicContact CD2-CB 3.82Å; L193-C219 HydrophobicContact CG-CB 4.39Å; T217-C219 PolarHBondContact O-N 2.82Å; C219-Y234 PolarHBondContact N-OH 2.86Å; C219-Y234 VanDerWaalsContact O-CE1 3.26Å; C219-Y234 WeakPolarHBondContact O-CE1 3.48Å; C219-Y234 PolarHBondContact O-OH 3.01Å
220G59.1Low69.4Low26 Ų2646.3 Ų46.327%0.26826%0.26SS..SBendtrans144.7176.3-179.400000109.9
221T77.5Confident70.2Confident39 Ų3951.7 Ų51.724%0.23929%0.285CS..  trans-103.2120174.1-51.40000108.8D164 K166 F223 Y224 M225D164-T221 PolarHBondContact OD1-N 2.85Å; D164-T221 PolarHBondContact OD1-OG1 3.38Å; K166-T221 HydrophobicContact CD-CG2 4.45Å; K166-T221 VanDerWaalsContact CD-OG1 3.28Å; K166-T221 WeakPolarHBondContact CD-OG1 3.4Å; K166-T221 PolarHBondContact NZ-OG1 2.81Å; T221-F223 VanDerWaalsContact C-N 3.26Å; T221-F223 PolarHBondContact O-N 3.13Å; T221-Y224 HydrophobicContact CG2-CD2 4.04Å; T221-Y224 HydrophobicContact CG2-CE2 4.07Å; T221-Y224 PolarHBondContact O-N 3.19Å; T221-M225 PolarHBondContact O-N 2.74Å
222D84.8Confident71.3Confident79 Ų7949.2 Ų49.242%0.42228%0.276SS..G310 helixtrans-42.4-45.6-166.7-61.43.7000114.8Y224 M225 W230 P278D222-Y224 PolarHBondContact O-N 3.14Å; D222-Y224 VanDerWaalsContact O-N 3.1Å; D222-M225 HydrophobicContact CB-CE 4.16Å; D222-M225 PolarHBondContact O-N 3.44Å; D222-M225 WeakPolarHBondContact OD1-CE 3.44Å; D222-W230 HydrophobicContact CB-CH2 3.77Å; D222-W230 HydrophobicContact CB-CZ2 3.83Å; D222-P278 HydrophobicContact CB-CG 3.97Å
223F90.6Very high72.2Confident29 Ų2948.4 Ų48.413%0.12727%0.273CS..G310 helixtrans-67.8-8.9-177.4-70.4-85.6000115.8T221 F256 I276 P278T221-F223 VanDerWaalsContact C-N 3.26Å; T221-F223 PolarHBondContact O-N 3.13Å; F223-F256 HydrophobicContact CB-CE1 3.83Å; F223-F256 HydrophobicContact CB-CE2 4.49Å; F223-F256 HydrophobicContact CB-CZ 3.63Å; F223-F256 HydrophobicContact CD1-CD1 4.21Å; F223-F256 HydrophobicContact CD1-CD2 4.29Å; F223-F256 AromaticContact CD1-CE1 3.94Å; F223-F256 HydrophobicContact CD1-CE1 3.94Å; F223-F256 HydrophobicContact CD1-CE2 4.03Å; F223-F256 HydrophobicContact CD1-CG 4.39Å; F223-F256 AromaticContact CD1-CZ 3.85Å; F223-F256 HydrophobicContact CD1-CZ 3.85Å; F223-F256 HydrophobicContact CD2-CD2 4.3Å; F223-F256 HydrophobicContact CD2-CE1 4.26Å; F223-F256 AromaticContact CD2-CE2 3.4Å; F223-F256 HydrophobicContact CD2-CE2 3.4Å; F223-F256 AromaticContact CD2-CZ 3.37Å; F223-F256 HydrophobicContact CD2-CZ 3.37Å; F223-F256 HydrophobicContact CE1-CD2 4.05Å; F223-F256 HydrophobicContact CE1-CE2 4.08Å; F223-F256 HydrophobicContact CE1-CG 4.32Å; F223-F256 HydrophobicContact CE1-CZ 4.36Å; F223-F256 HydrophobicContact CE2-CD2 4.06Å; F223-F256 AromaticContact CE2-CE2 3.45Å; F223-F256 HydrophobicContact CE2-CE2 3.45Å; F223-F256 VanDerWaalsContact CE2-CE2 3.45Å; F223-F256 AromaticContact CE2-CZ 3.95Å; F223-F256 HydrophobicContact CE2-CZ 3.95Å; F223-F256 HydrophobicContact CG-CD1 4.44Å; F223-F256 HydrophobicContact CG-CD2 4.41Å; F223-F256 AromaticContact CG-CE1 3.73Å; F223-F256 HydrophobicContact CG-CE1 3.73Å; F223-F256 AromaticContact CG-CE2 3.7Å; F223-F256 HydrophobicContact CG-CE2 3.7Å; F223-F256 AromaticContact CG-CZ 3.3Å; F223-F256 HydrophobicContact CG-CZ 3.3Å; F223-F256 AromaticContact CZ-CD2 3.92Å; F223-F256 HydrophobicContact CZ-CD2 3.92Å; F223-F256 AromaticContact CZ-CE2 3.8Å; F223-F256 HydrophobicContact CZ-CE2 3.8Å; F223-F256 HydrophobicContact CZ-CZ 4.41Å; F223-I276 HydrophobicContact CE1-CD1 3.86Å; F223-I276 HydrophobicContact CE1-CG1 4.2Å; F223-I276 HydrophobicContact CZ-CD1 3.88Å; F223-I276 HydrophobicContact CZ-CG1 4.18Å; F223-P278 HydrophobicContact CD1-CB 4.28Å; F223-P278 HydrophobicContact CD1-CG 4.1Å; F223-P278 HydrophobicContact CD2-CG 4.48Å; F223-P278 HydrophobicContact CE1-CG 3.99Å; F223-P278 HydrophobicContact CE2-CG 4.38Å; F223-P278 HydrophobicContact CG-CG 4.35Å; F223-P278 HydrophobicContact CZ-CG 4.14Å
224Y93.4Very high73.3Confident9 Ų947.7 Ų47.74%0.03527%0.268CS..G310 helixtrans-118.6-3.2176.8-48.4-84.4000112.7K166 P167 T221 D222 A242 I245 I246 L266K166-Y224 HydrophobicContact CB-CD1 4.4Å; K166-Y224 HydrophobicContact CB-CD2 3.68Å; K166-Y224 HydrophobicContact CB-CE1 4.42Å; K166-Y224 HydrophobicContact CB-CE2 3.68Å; K166-Y224 HydrophobicContact CB-CG 4.04Å; P167-Y224 WeakPolarHBondContact CD-OH 3.42Å; P167-Y224 HydrophobicContact CG-CE1 4Å; T221-Y224 HydrophobicContact CG2-CD2 4.04Å; T221-Y224 HydrophobicContact CG2-CE2 4.07Å; T221-Y224 PolarHBondContact O-N 3.19Å; D222-Y224 PolarHBondContact O-N 3.14Å; D222-Y224 VanDerWaalsContact O-N 3.1Å; Y224-A242 WeakPolarHBondContact O-CB 3.33Å; Y224-I245 HydrophobicContact CD1-CB 4.35Å; Y224-I245 HydrophobicContact CD1-CG2 3.79Å; Y224-I245 HydrophobicContact CE1-CG2 4.18Å; Y224-I246 HydrophobicContact CD1-CG1 4.18Å; Y224-I246 HydrophobicContact CE1-CG1 4.35Å; Y224-L266 VanDerWaalsContact CE1-O 3.22Å; Y224-L266 WeakPolarHBondContact CE1-O 3.42Å; Y224-L266 VanDerWaalsContact CZ-O 3.24Å; Y224-L266 PolarHBondContact OH-O 3.27Å
225M91.9Very high74.7Confident23 Ų2340.9 Ų40.911%0.11324%0.239CC..  trans-73.1136.8-178.1-70-156.8-74.100111.8T221 D222 V229 W230 F241 G280T221-M225 PolarHBondContact O-N 2.74Å; D222-M225 HydrophobicContact CB-CE 4.16Å; D222-M225 PolarHBondContact O-N 3.44Å; D222-M225 WeakPolarHBondContact OD1-CE 3.44Å; M225-V229 HydrophobicContact CB-CB 4.49Å; M225-V229 HydrophobicContact CB-CG1 3.88Å; M225-V229 HydrophobicContact CG-CG1 3.9Å; M225-V229 HydrophobicContact SD-CG1 3.44Å; M225-V229 WeakPolarHBondContact SD-CG1 3.41Å; M225-W230 HydrophobicContact CE-CD2 4.2Å; M225-W230 HydrophobicContact CE-CE3 4.41Å; M225-W230 HydrophobicContact CE-CH2 3.99Å; M225-W230 HydrophobicContact CE-CZ2 3.73Å; M225-W230 HydrophobicContact CE-CZ3 4.32Å; M225-F241 WeakPolarHBondContact O-CE1 3.23Å; M225-G280 WeakPolarHBondContact O-CA 3.46Å
226A93Very high76.3Confident1 Ų139.5 Ų39.51%0.00823%0.232CC..  trans-73.6156.4173.800000111.4E228 V229 A238 F241A226-E228 VanDerWaalsContact C-N 3.34Å; A226-E228 VanDerWaalsContact CB-OE2 3.25Å; A226-E228 WeakPolarHBondContact CB-OE2 3.37Å; A226-E228 PolarHBondContact O-N 2.85Å; A226-V229 HydrophobicContact CB-CG2 4.24Å; A226-V229 VanDerWaalsContact O-CB 3.25Å; A226-V229 WeakPolarHBondContact O-CB 3.36Å; A226-V229 PolarHBondContact O-N 2.88Å; A226-A238 HydrophobicContact CB-CB 4.17Å; A226-F241 VanDerWaalsContact CA-CD1 3.49Å; A226-F241 HydrophobicContact CB-CB 3.71Å; A226-F241 HydrophobicContact CB-CD1 3.84Å; A226-F241 HydrophobicContact CB-CD2 4.26Å; A226-F241 HydrophobicContact CB-CG 3.67Å
227P92.2Very high78.7Confident0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-55.5-44.1-178.7-25.934.5000113.8V229 W230 F241 L283 L284 F314P227-V229 PolarHBondContact O-N 3.33Å; P227-W230 WeakPolarHBondContact O-CB 3.25Å; P227-W230 PolarHBondContact O-N 2.96Å; P227-F241 HydrophobicContact CG-CE2 4.33Å; P227-L283 HydrophobicContact CG-CB 3.71Å; P227-L283 HydrophobicContact CG-CD1 4.17Å; P227-L284 HydrophobicContact CB-CB 4.42Å; P227-F314 HydrophobicContact CB-CD2 3.68Å; P227-F314 HydrophobicContact CB-CE2 3.72Å; P227-F314 HydrophobicContact CG-CD2 3.93Å; P227-F314 HydrophobicContact CG-CE2 4.47Å
228E89.9Confident80.8Confident15 Ų1532.8 Ų32.87%0.0719%0.185CC..Hα-helixtrans-64.9-23-179.270.8-86.1-158.400113.1A226 E231 G232 H233 P316 R319A226-E228 VanDerWaalsContact C-N 3.34Å; A226-E228 VanDerWaalsContact CB-OE2 3.25Å; A226-E228 WeakPolarHBondContact CB-OE2 3.37Å; A226-E228 PolarHBondContact O-N 2.85Å; E228-E231 PolarHBondContact O-N 2.76Å; E228-G232 PolarHBondContact O-N 3.41Å; E228-H233 CarbonylContact C-O 3.47Å; E228-H233 VanDerWaalsContact C-O 3.31Å; E228-H233 HydrophobicContact CB-CB 4.31Å; E228-H233 WeakPolarHBondContact CG-O 3.49Å; E228-H233 WeakPolarHBondContact O-CA 3.46Å; E228-H233 WeakPolarHBondContact O-CB 3.22Å; E228-H233 PolarHBondContact O-N 3.38Å; E228-H233 VanDerWaalsContact O-O 3.14Å; E228-P316 HydrophobicContact CB-CG 4.28Å; E228-P316 VanDerWaalsContact CD-CG 3.47Å; E228-P316 HydrophobicContact CG-CG 3.96Å; E228-R319 IonicContact OE1-CZ 3.85Å; E228-R319 IonicContact OE1-NH1 3.49Å; E228-R319 PolarHBondContact OE1-NH1 3.2Å; E228-R319 IonicContact OE1-NH2 2.7Å; E228-R319 IonicContact OE2-CZ 2.92Å; E228-R319 IonicContact OE2-NH1 2.68Å; E228-R319 PolarHBondContact OE2-NH1 2.99Å; E228-R319 IonicContact OE2-NH2 3.91Å; E228-R319 PolarHBondContact OE2-NH2 2.94Å
229V86.8Confident82.9Confident5 Ų528.8 Ų28.83%0.0315%0.152CC..Hα-helixtrans-71.6-34.4-179.3155.60000111.1M225 A226 P227 E231 G232 H233 Y234 A238M225-V229 HydrophobicContact CB-CB 4.49Å; M225-V229 HydrophobicContact CB-CG1 3.88Å; M225-V229 HydrophobicContact CG-CG1 3.9Å; M225-V229 HydrophobicContact SD-CG1 3.44Å; M225-V229 WeakPolarHBondContact SD-CG1 3.41Å; A226-V229 HydrophobicContact CB-CG2 4.24Å; A226-V229 VanDerWaalsContact O-CB 3.25Å; A226-V229 WeakPolarHBondContact O-CB 3.36Å; A226-V229 PolarHBondContact O-N 2.88Å; P227-V229 PolarHBondContact O-N 3.33Å; V229-E231 PolarHBondContact O-N 3.45Å; V229-G232 WeakPolarHBondContact O-CA 3.21Å; V229-G232 PolarHBondContact O-N 3.39Å; V229-H233 PolarHBondContact N-O 2.97Å; V229-Y234 HydrophobicContact CB-CD1 4.45Å; V229-Y234 HydrophobicContact CB-CE1 4.08Å; V229-Y234 HydrophobicContact CB-CE2 4.43Å; V229-Y234 HydrophobicContact CG1-CD1 4.26Å; V229-Y234 HydrophobicContact CG1-CE1 3.44Å; V229-Y234 VanDerWaalsContact CG1-CE1 3.44Å; V229-Y234 HydrophobicContact CG1-CE2 3.97Å; V229-Y234 WeakPolarHBondContact CG1-OH 3.43Å; V229-Y234 HydrophobicContact CG2-CD1 3.54Å; V229-Y234 HydrophobicContact CG2-CD2 4.36Å; V229-Y234 HydrophobicContact CG2-CE1 3.61Å; V229-Y234 HydrophobicContact CG2-CE2 4.36Å; V229-Y234 HydrophobicContact CG2-CG 3.93Å; V229-A238 HydrophobicContact CG2-CB 3.69Å
230W80.5Confident85Confident79 Ų7927.8 Ų27.830%0.29915%0.145SC..Hα-helixtrans-64.5-29.5174.3-6990.2000112.4D222 M225 P227 G232 P278 E281 L284D222-W230 HydrophobicContact CB-CH2 3.77Å; D222-W230 HydrophobicContact CB-CZ2 3.83Å; M225-W230 HydrophobicContact CE-CD2 4.2Å; M225-W230 HydrophobicContact CE-CE3 4.41Å; M225-W230 HydrophobicContact CE-CH2 3.99Å; M225-W230 HydrophobicContact CE-CZ2 3.73Å; M225-W230 HydrophobicContact CE-CZ3 4.32Å; P227-W230 WeakPolarHBondContact O-CB 3.25Å; P227-W230 PolarHBondContact O-N 2.96Å; W230-G232 PolarHBondContact O-N 3.34Å; W230-P278 HydrophobicContact CH2-CG 4.48Å; W230-P278 HydrophobicContact CZ2-CB 4.06Å; W230-P278 HydrophobicContact CZ2-CG 4.27Å; W230-E281 HydrophobicContact CD2-CB 4.45Å; W230-E281 HydrophobicContact CH2-CB 4.38Å; W230-E281 HydrophobicContact CZ2-CB 3.99Å; W230-L284 HydrophobicContact CB-CD2 3.86Å
231E79.9Confident86.8Confident116 Ų11626.5 Ų26.554%0.54213%0.132SC..THydrogen-bonded Turntrans-82.43172.2-57.8-176.8140.900112.7E228 V229 H233 L284E228-E231 PolarHBondContact O-N 2.76Å; V229-E231 PolarHBondContact O-N 3.45Å; E231-H233 PolarHBondContact O-ND1 3.17Å; E231-L284 HydrophobicContact CG-CD1 3.88Å; E231-L284 HydrophobicContact CG-CD2 4.29Å
232G71.9Confident87.8Confident17 Ų1725 Ų2518%0.17512%0.123CC..THydrogen-bonded Turntrans81.514.4-179.400000114.5S216 E228 V229 W230S216-G232 VanDerWaalsContact CA-O 3.26Å; S216-G232 WeakPolarHBondContact CA-O 3.37Å; E228-G232 PolarHBondContact O-N 3.41Å; V229-G232 WeakPolarHBondContact O-CA 3.21Å; V229-G232 PolarHBondContact O-N 3.39Å; W230-G232 PolarHBondContact O-N 3.34Å
233H70.9Confident88.4Confident93 Ų9321.2 Ų21.243%0.43110%0.103SC..  trans-103.3111.5177.6-6096.6000111.2E228 V229 E231E228-H233 CarbonylContact C-O 3.47Å; E228-H233 VanDerWaalsContact C-O 3.31Å; E228-H233 HydrophobicContact CB-CB 4.31Å; E228-H233 WeakPolarHBondContact CG-O 3.49Å; E228-H233 WeakPolarHBondContact O-CA 3.46Å; E228-H233 WeakPolarHBondContact O-CB 3.22Å; E228-H233 PolarHBondContact O-N 3.38Å; E228-H233 VanDerWaalsContact O-O 3.14Å; V229-H233 PolarHBondContact N-O 2.97Å; E231-H233 PolarHBondContact O-ND1 3.17Å
234Y70.8Confident88.7Confident4 Ų419.9 Ų19.92%0.01610%0.097CC..BIsolated β-bridgetrans-105.3133174.7-64.8-109.5000111.3R163 L215 T217 A218 C219 V229R163-Y234 HydrophobicContact CB-CD1 4.4Å; R163-Y234 HydrophobicContact CG-CD1 4.23Å; L215-Y234 PolarHBondContact N-O 2.95Å; L215-Y234 PolarHBondContact O-N 3.42Å; L215-Y234 VanDerWaalsContact O-N 3.08Å; T217-Y234 WeakPolarHBondContact O-CE2 3.29Å; A218-Y234 WeakPolarHBondContact CA-OH 3.26Å; C219-Y234 PolarHBondContact N-OH 2.86Å; C219-Y234 VanDerWaalsContact O-CE1 3.26Å; C219-Y234 WeakPolarHBondContact O-CE1 3.48Å; C219-Y234 PolarHBondContact O-OH 3.01Å; V229-Y234 HydrophobicContact CB-CD1 4.45Å; V229-Y234 HydrophobicContact CB-CE1 4.08Å; V229-Y234 HydrophobicContact CB-CE2 4.43Å; V229-Y234 HydrophobicContact CG1-CD1 4.26Å; V229-Y234 HydrophobicContact CG1-CE1 3.44Å; V229-Y234 VanDerWaalsContact CG1-CE1 3.44Å; V229-Y234 HydrophobicContact CG1-CE2 3.97Å; V229-Y234 WeakPolarHBondContact CG1-OH 3.43Å; V229-Y234 HydrophobicContact CG2-CD1 3.54Å; V229-Y234 HydrophobicContact CG2-CD2 4.36Å; V229-Y234 HydrophobicContact CG2-CE1 3.61Å; V229-Y234 HydrophobicContact CG2-CE2 4.36Å; V229-Y234 HydrophobicContact CG2-CG 3.93Å
235T79.5Confident88.8Confident12 Ų1219.4 Ų19.47%0.07410%0.095CC..  trans-129.7168.4170.9700000110F214 K237 A238F214-T235 HydrophobicContact CD1-CG2 4.33Å; F214-T235 HydrophobicContact CE1-CG2 4.36Å; T235-K237 PolarHBondContact O-N 3.26Å; T235-K237 VanDerWaalsContact O-N 3.07Å; T235-K237 WeakPolarHBondContact OG1-CB 3.49Å; T235-K237 PolarHBondContact OG1-N 3.43Å; T235-A238 VanDerWaalsContact O-CB 3.29Å; T235-A238 WeakPolarHBondContact O-CB 3.28Å; T235-A238 PolarHBondContact O-N 2.98Å
236A90.1Very high89.1Confident0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-53.6-27.1169.900000113H156 I161 V210 A238 D239H156-A236 PolarHBondContact CE1-O 2.9Å; I161-A236 HydrophobicContact CD1-CB 4.43Å; I161-A236 HydrophobicContact CG1-CB 4.38Å; V210-A236 HydrophobicContact CB-CB 3.98Å; V210-A236 HydrophobicContact CG2-CB 4.08Å; V210-A236 WeakPolarHBondContact O-CB 3.42Å; V210-A236 PolarHBondContact O-N 2.97Å; A236-A238 PolarHBondContact O-N 3.45Å; A236-D239 PolarHBondContact O-N 2.89Å
237K95.1Very high89.2Confident26 Ų2618.4 Ų18.411%0.1139%0.09CC..Hα-helixtrans-71.8-14.7179.3-56.9-62.3-166.673.10113.2T235 I240 F241 P316 R319T235-K237 PolarHBondContact O-N 3.26Å; T235-K237 VanDerWaalsContact O-N 3.07Å; T235-K237 WeakPolarHBondContact OG1-CB 3.49Å; T235-K237 PolarHBondContact OG1-N 3.43Å; K237-I240 HydrophobicContact CD-CG1 4.23Å; K237-I240 WeakPolarHBondContact O-CB 3.29Å; K237-I240 PolarHBondContact O-N 3.05Å; K237-F241 PolarHBondContact O-N 3.46Å; K237-F241 VanDerWaalsContact O-N 3.08Å; K237-P316 HydrophobicContact CB-CB 3.87Å; K237-P316 HydrophobicContact CG-CB 4.3Å; K237-P316 WeakPolarHBondContact CG-O 3.36Å; K237-P316 PolarHBondContact NZ-O 3.4Å; K237-R319 HydrophobicContact CD-CB 4.26Å; K237-R319 PolarHBondContact NZ-O 3.29Å; K237-R319 PolarHBondContact O-NH1 3Å
238A93.7Very high89.3Confident8 Ų819.1 Ų19.17%0.0669%0.093CC..Hα-helixtrans-67-40.1170.400000111.2A226 V229 T235 A236 I240 F241 A242A226-A238 HydrophobicContact CB-CB 4.17Å; V229-A238 HydrophobicContact CG2-CB 3.69Å; T235-A238 VanDerWaalsContact O-CB 3.29Å; T235-A238 WeakPolarHBondContact O-CB 3.28Å; T235-A238 PolarHBondContact O-N 2.98Å; A236-A238 PolarHBondContact O-N 3.45Å; A238-I240 VanDerWaalsContact C-N 3.26Å; A238-I240 PolarHBondContact O-N 3.23Å; A238-F241 WeakPolarHBondContact O-CB 3.34Å; A238-F241 PolarHBondContact O-N 3.04Å; A238-A242 PolarHBondContact O-N 3.07Å
239D96.1Very high89.4Confident2 Ų218.4 Ų18.41%0.0119%0.089CC..Hα-helixtrans-65.1-33.4174.6-65.2-22.5000111.4L152 H156 I161 H162 R163 A236 A242 L243L152-D239 HydrophobicContact CD1-CB 3.71Å; L152-D239 HydrophobicContact CD2-CB 4.19Å; H156-D239 IonicContact CD2-OD2 2.62Å; H156-D239 IonicContact CE1-OD2 3.26Å; H156-D239 IonicContact NE2-OD2 3.17Å; H156-D239 PolarHBondContact NE2-OD2 3.03Å; I161-D239 WeakPolarHBondContact CG2-OD2 3.28Å; H162-D239 PolarHBondContact N-OD1 3.36Å; H162-D239 PolarHBondContact N-OD2 3.24Å; R163-D239 PolarHBondContact N-OD1 2.92Å; A236-D239 PolarHBondContact O-N 2.89Å; D239-A242 PolarHBondContact O-N 2.82Å; D239-L243 WeakPolarHBondContact O-CB 3.29Å; D239-L243 PolarHBondContact O-N 3.44Å
240I97.8Very high89.8Confident0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-64.4-43.1175.1-56-68.5000110.6L152 K237 A238 L243 G244 M311 R319 P320 A322 L325L152-I240 HydrophobicContact CD2-CD1 3.71Å; K237-I240 HydrophobicContact CD-CG1 4.23Å; K237-I240 WeakPolarHBondContact O-CB 3.29Å; K237-I240 PolarHBondContact O-N 3.05Å; A238-I240 VanDerWaalsContact C-N 3.26Å; A238-I240 PolarHBondContact O-N 3.23Å; I240-L243 PolarHBondContact O-N 2.94Å; I240-G244 PolarHBondContact O-N 2.92Å; I240-M311 HydrophobicContact CG2-CB 4.19Å; I240-M311 HydrophobicContact CG2-CE 4.33Å; I240-M311 HydrophobicContact CG2-CG 4.01Å; I240-M311 WeakPolarHBondContact O-CE 3.14Å; I240-R319 HydrophobicContact CG2-CB 4.17Å; I240-P320 HydrophobicContact CG2-CG 4.25Å; I240-A322 HydrophobicContact CD1-CB 3.96Å; I240-L325 HydrophobicContact CD1-CD2 3.84Å; I240-L325 HydrophobicContact CG2-CD2 4.49Å
241F97.3Very high90.2Very high0 Ų015.3 Ų15.30%08%0.079CC..Hα-helixtrans-62.8-49.6175.5-175.2-82.4000111.2M225 A226 P227 K237 A238 L243 G244 I245 L283 M311 L312M225-F241 WeakPolarHBondContact O-CE1 3.23Å; A226-F241 VanDerWaalsContact CA-CD1 3.49Å; A226-F241 HydrophobicContact CB-CB 3.71Å; A226-F241 HydrophobicContact CB-CD1 3.84Å; A226-F241 HydrophobicContact CB-CD2 4.26Å; A226-F241 HydrophobicContact CB-CG 3.67Å; P227-F241 HydrophobicContact CG-CE2 4.33Å; K237-F241 PolarHBondContact O-N 3.46Å; K237-F241 VanDerWaalsContact O-N 3.08Å; A238-F241 WeakPolarHBondContact O-CB 3.34Å; A238-F241 PolarHBondContact O-N 3.04Å; F241-L243 VanDerWaalsContact C-N 3.29Å; F241-L243 PolarHBondContact O-N 2.87Å; F241-G244 WeakPolarHBondContact O-CA 3.35Å; F241-G244 PolarHBondContact O-N 2.92Å; F241-I245 HydrophobicContact CD1-CG1 4.06Å; F241-I245 HydrophobicContact CE1-CD1 3.86Å; F241-I245 HydrophobicContact CE1-CG1 3.79Å; F241-I245 HydrophobicContact CZ-CD1 4.22Å; F241-I245 PolarHBondContact O-N 3.14Å; F241-L283 HydrophobicContact CE2-CD1 3.73Å; F241-L283 HydrophobicContact CZ-CD1 3.88Å; F241-M311 WeakPolarHBondContact CA-O 3.36Å; F241-L312 HydrophobicContact CD1-CD2 4.31Å; F241-L312 HydrophobicContact CD2-CD2 3.92Å; F241-L312 HydrophobicContact CE1-CD2 4.23Å; F241-L312 HydrophobicContact CE2-CB 4.22Å; F241-L312 HydrophobicContact CE2-CD2 3.83Å; F241-L312 HydrophobicContact CG-CD2 4.16Å; F241-L312 HydrophobicContact CZ-CD2 3.99Å
242A97.2Very high90.6Very high6 Ų610.4 Ų10.45%0.056%0.057CC..Hα-helixtrans-56.9-43.2177.200000111.7L165 Y224 A238 D239 G244 I245 I246L165-A242 HydrophobicContact CB-CB 4.09Å; Y224-A242 WeakPolarHBondContact O-CB 3.33Å; A238-A242 PolarHBondContact O-N 3.07Å; D239-A242 PolarHBondContact O-N 2.82Å; A242-G244 VanDerWaalsContact C-N 3.29Å; A242-G244 PolarHBondContact O-N 3.48Å; A242-I245 WeakPolarHBondContact O-CB 3.07Å; A242-I245 PolarHBondContact O-N 3.33Å; A242-I246 VanDerWaalsContact O-CG1 3.29Å; A242-I246 WeakPolarHBondContact O-CG1 3.33Å; A242-I246 PolarHBondContact O-N 3.2Å
243L97.9Very high91.5Very high1 Ų111.9 Ų11.91%0.0056%0.057CC..Hα-helixtrans-64.2-33.7174.4-176.353.9000112.3L148 L152 L165 D239 I240 F241 I246 I247 M311 L325L148-L243 HydrophobicContact CB-CD1 3.66Å; L148-L243 HydrophobicContact CB-CD2 4.4Å; L148-L243 HydrophobicContact CD1-CD1 3.77Å; L148-L243 HydrophobicContact CD2-CD1 4.47Å; L148-L243 HydrophobicContact CG-CD1 4.16Å; L152-L243 HydrophobicContact CB-CD2 4.38Å; L152-L243 HydrophobicContact CD2-CB 4.3Å; L152-L243 HydrophobicContact CD2-CD2 3.66Å; L165-L243 HydrophobicContact CD2-CB 3.91Å; D239-L243 WeakPolarHBondContact O-CB 3.29Å; D239-L243 PolarHBondContact O-N 3.44Å; I240-L243 PolarHBondContact O-N 2.94Å; F241-L243 VanDerWaalsContact C-N 3.29Å; F241-L243 PolarHBondContact O-N 2.87Å; L243-I246 PolarHBondContact O-N 3.4Å; L243-I247 HydrophobicContact CD1-CD1 3.99Å; L243-I247 HydrophobicContact CD1-CG1 3.92Å; L243-I247 HydrophobicContact CG-CD1 3.93Å; L243-I247 HydrophobicContact CG-CG1 4.28Å; L243-I247 WeakPolarHBondContact O-CB 3.37Å; L243-I247 VanDerWaalsContact O-CG1 3.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.21Å; L243-I247 PolarHBondContact O-N 3.25Å; L243-M311 HydrophobicContact CB-CE 3.97Å; L243-M311 HydrophobicContact CD2-CE 4.39Å; L243-M311 HydrophobicContact CG-CE 3.91Å; L243-L325 HydrophobicContact CD2-CD2 3.66Å
244G97.2Very high92.5Very high0 Ų09.1 Ų9.10%05%0.045CC..Hα-helixtrans-62.2-43.417400000112.1I240 F241 A242 W248 M311I240-G244 PolarHBondContact O-N 2.92Å; F241-G244 WeakPolarHBondContact O-CA 3.35Å; F241-G244 PolarHBondContact O-N 2.92Å; A242-G244 VanDerWaalsContact C-N 3.29Å; A242-G244 PolarHBondContact O-N 3.48Å; G244-W248 VanDerWaalsContact O-CB 3.27Å; G244-W248 WeakPolarHBondContact O-CB 3.29Å; G244-W248 PolarHBondContact O-N 2.96Å; G244-M311 VanDerWaalsContact N-CE 3.28Å
245I96.2Very high93.6Very high0 Ų010.5 Ų10.50%05%0.054CC..Hα-helixtrans-60.7-50.7173.3-59.4-68.6000110.1Y224 F241 A242 I247 W248 A249 L279 L312Y224-I245 HydrophobicContact CD1-CB 4.35Å; Y224-I245 HydrophobicContact CD1-CG2 3.79Å; Y224-I245 HydrophobicContact CE1-CG2 4.18Å; F241-I245 HydrophobicContact CD1-CG1 4.06Å; F241-I245 HydrophobicContact CE1-CD1 3.86Å; F241-I245 HydrophobicContact CE1-CG1 3.79Å; F241-I245 HydrophobicContact CZ-CD1 4.22Å; F241-I245 PolarHBondContact O-N 3.14Å; A242-I245 WeakPolarHBondContact O-CB 3.07Å; A242-I245 PolarHBondContact O-N 3.33Å; I245-I247 PolarHBondContact O-N 2.67Å; I245-W248 PolarHBondContact O-N 3.31Å; I245-A249 VanDerWaalsContact O-CB 3.26Å; I245-A249 WeakPolarHBondContact O-CB 3.47Å; I245-A249 PolarHBondContact O-N 3.44Å; I245-L279 HydrophobicContact CD1-CB 3.95Å; I245-L279 HydrophobicContact CD1-CD2 3.48Å; I245-L279 VanDerWaalsContact CD1-CD2 3.48Å; I245-L279 HydrophobicContact CD1-CG 4.3Å; I245-L312 HydrophobicContact CD1-CD2 3.64Å; I245-L312 HydrophobicContact CG1-CD2 3.86Å
246I96.9Very high94.1Very high1 Ų110.3 Ų10.31%0.0055%0.052CC..Hα-helixtrans-58.9-48.3-178.4-68.1162.6000111.2M127 L148 L165 P167 I170 Y224 A242 L243 M250M127-I246 HydrophobicContact CE-CG2 3.75Å; M127-I246 HydrophobicContact SD-CG2 4.24Å; L148-I246 HydrophobicContact CD1-CG2 4.09Å; L165-I246 HydrophobicContact CD2-CD1 4.1Å; L165-I246 HydrophobicContact CG-CD1 3.77Å; P167-I246 HydrophobicContact CG-CG1 4.14Å; I170-I246 HydrophobicContact CD1-CD1 4.04Å; I170-I246 HydrophobicContact CD1-CG2 4.43Å; Y224-I246 HydrophobicContact CD1-CG1 4.18Å; Y224-I246 HydrophobicContact CE1-CG1 4.35Å; A242-I246 VanDerWaalsContact O-CG1 3.29Å; A242-I246 WeakPolarHBondContact O-CG1 3.33Å; A242-I246 PolarHBondContact O-N 3.2Å; L243-I246 PolarHBondContact O-N 3.4Å; I246-M250 WeakPolarHBondContact O-CB 3.42Å; I246-M250 PolarHBondContact O-N 3.01Å
247I95.5Very high94.1Very high1 Ų114.2 Ų14.21%0.0058%0.076CC..Hα-helixtrans-62.9-47-179.8-71.7178.7000110.3M145 L243 I245 M250 V251 M304 I308 M311 L329M145-I247 HydrophobicContact CG-CD1 4.21Å; M145-I247 HydrophobicContact CG-CG1 4.05Å; M145-I247 HydrophobicContact CG-CG2 4.02Å; M145-I247 HydrophobicContact SD-CG2 3.57Å; M145-I247 VanDerWaalsContact SD-CG2 3.57Å; L243-I247 HydrophobicContact CD1-CD1 3.99Å; L243-I247 HydrophobicContact CD1-CG1 3.92Å; L243-I247 HydrophobicContact CG-CD1 3.93Å; L243-I247 HydrophobicContact CG-CG1 4.28Å; L243-I247 WeakPolarHBondContact O-CB 3.37Å; L243-I247 VanDerWaalsContact O-CG1 3.27Å; L243-I247 WeakPolarHBondContact O-CG1 3.21Å; L243-I247 PolarHBondContact O-N 3.25Å; I245-I247 PolarHBondContact O-N 2.67Å; I247-M250 PolarHBondContact O-N 3.32Å; I247-V251 HydrophobicContact CG2-CG2 4.45Å; I247-V251 WeakPolarHBondContact O-CB 3.26Å; I247-V251 VanDerWaalsContact O-CG2 3.27Å; I247-V251 WeakPolarHBondContact O-CG2 2.95Å; I247-V251 PolarHBondContact O-N 3.07Å; I247-M304 HydrophobicContact CG2-SD 4.22Å; I247-I308 HydrophobicContact CG2-CD1 4.14Å; I247-I308 HydrophobicContact CG2-CG1 4.31Å; I247-M311 HydrophobicContact CD1-CE 4.28Å; I247-L329 HydrophobicContact CD1-CD1 4.39Å; I247-L329 HydrophobicContact CD1-CD2 4.24Å
248W93.4Very high93.6Very high15 Ų1514.3 Ų14.36%0.0578%0.077CC..Hα-helixtrans-63.6-50-178.9-177.318.3000111.7G244 I245 M250 V251 E252 I254 L279 I293 I308 L312G244-W248 VanDerWaalsContact O-CB 3.27Å; G244-W248 WeakPolarHBondContact O-CB 3.29Å; G244-W248 PolarHBondContact O-N 2.96Å; I245-W248 PolarHBondContact O-N 3.31Å; W248-M250 VanDerWaalsContact C-N 3.33Å; W248-M250 PolarHBondContact O-N 2.98Å; W248-V251 PolarHBondContact O-N 3.2Å; W248-E252 PolarHBondContact O-N 3.48Å; W248-I254 HydrophobicContact CD2-CD1 4.04Å; W248-I254 HydrophobicContact CG-CD1 4.23Å; W248-I254 HydrophobicContact CZ2-CD1 3.87Å; W248-L279 HydrophobicContact CE3-CD2 4.43Å; W248-L279 HydrophobicContact CZ3-CD2 3.79Å; W248-I293 HydrophobicContact CH2-CG1 4.38Å; W248-I293 HydrophobicContact CZ2-CB 4.23Å; W248-I293 HydrophobicContact CZ2-CG1 4.03Å; W248-I293 HydrophobicContact CZ2-CG2 4.36Å; W248-I308 HydrophobicContact CB-CD1 4.21Å; W248-I308 HydrophobicContact CB-CG2 4.02Å; W248-I308 HydrophobicContact CD2-CG2 4.47Å; W248-I308 HydrophobicContact CG-CG2 4.21Å; W248-L312 HydrophobicContact CE3-CD1 3.58Å; W248-L312 HydrophobicContact CZ3-CD1 4Å
249A93.8Very high93Very high0 Ų019.7 Ų19.70%011%0.109CC..Hα-helixtrans-60.4-41.3177.700000112I245 R253 I254 L266I245-A249 VanDerWaalsContact O-CB 3.26Å; I245-A249 WeakPolarHBondContact O-CB 3.47Å; I245-A249 PolarHBondContact O-N 3.44Å; A249-R253 CarbonylContact O-C 3.52Å; A249-R253 WeakPolarHBondContact O-CA 3.22Å; A249-R253 PolarHBondContact O-N 2.98Å; A249-I254 HydrophobicContact CB-CB 4.36Å; A249-I254 PolarHBondContact O-N 3.12Å; A249-L266 HydrophobicContact CB-CB 4.18Å; A249-L266 HydrophobicContact CB-CD2 4.48Å
250M93.8Very high92.1Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-61.4-46.9176.4171176.463.200112.2M127 L131 N141 F144 M145 I246 I247 W248 R253M127-M250 HydrophobicContact CE-CB 4.3Å; M127-M250 HydrophobicContact CE-CE 4.36Å; M127-M250 HydrophobicContact CE-CG 4.29Å; M127-M250 HydrophobicContact CE-SD 3.44Å; M127-M250 WeakPolarHBondContact CE-SD 3.46Å; L131-M250 HydrophobicContact CD1-CB 4.17Å; L131-M250 HydrophobicContact CD1-CG 3.69Å; L131-M250 HydrophobicContact CD1-SD 3.91Å; N141-M250 HydrophobicContact CB-CE 4.3Å; N141-M250 HydrophobicContact CB-CG 4.4Å; N141-M250 HydrophobicContact CB-SD 4.3Å; N141-M250 WeakPolarHBondContact OD1-CG 3.43Å; F144-M250 HydrophobicContact CB-CE 4.32Å; F144-M250 HydrophobicContact CB-SD 3.95Å; F144-M250 HydrophobicContact CD2-SD 4.23Å; M145-M250 HydrophobicContact CG-CE 3.45Å; M145-M250 VanDerWaalsContact CG-CE 3.45Å; M145-M250 HydrophobicContact SD-CE 4.5Å; I246-M250 WeakPolarHBondContact O-CB 3.42Å; I246-M250 PolarHBondContact O-N 3.01Å; I247-M250 PolarHBondContact O-N 3.32Å; W248-M250 VanDerWaalsContact C-N 3.33Å; W248-M250 PolarHBondContact O-N 2.98Å; M250-R253 PolarHBondContact O-NH1 3.08Å
251V90.1Very high91.4Very high19 Ų1931.7 Ų31.712%0.11517%0.17CC..Hα-helixtrans-72.2-43.4-173.9173.10000111.7M145 I247 W248 M300M145-V251 HydrophobicContact SD-CG2 4.11Å; I247-V251 HydrophobicContact CG2-CG2 4.45Å; I247-V251 WeakPolarHBondContact O-CB 3.26Å; I247-V251 VanDerWaalsContact O-CG2 3.27Å; I247-V251 WeakPolarHBondContact O-CG2 2.95Å; I247-V251 PolarHBondContact O-N 3.07Å; W248-V251 PolarHBondContact O-N 3.2Å; V251-M300 HydrophobicContact CB-CG 4.48Å; V251-M300 HydrophobicContact CB-SD 4.42Å; V251-M300 HydrophobicContact CG1-CG 3.41Å; V251-M300 VanDerWaalsContact CG1-CG 3.41Å; V251-M300 HydrophobicContact CG1-SD 3.92Å
252E88.5Confident90.9Very high14 Ų1438.3 Ų38.37%0.06520%0.201CC..Hα-helixtrans-90.1-5.4-178.7-67.9-58.2141.600113.7W248 I254 R296 S299 M300W248-E252 PolarHBondContact O-N 3.48Å; E252-I254 HydrophobicContact CB-CD1 3.95Å; E252-I254 HydrophobicContact CB-CG1 3.71Å; E252-R296 WeakPolarHBondContact OE2-CB 3.43Å; E252-R296 PolarHBondContact OE2-N 2.74Å; E252-S299 WeakPolarHBondContact OE1-CB 3.48Å; E252-S299 PolarHBondContact OE1-OG 2.94Å; E252-M300 HydrophobicContact CG-CE 3.85Å; E252-M300 VanDerWaalsContact OE1-CE 3.28Å; E252-M300 WeakPolarHBondContact OE1-CE 3.32Å
253R90.3Very high90.5Very high48 Ų4843.8 Ų43.818%0.18122%0.223CC..THydrogen-bonded Turntrans52.752.4-170.9-67.4-60.4-159.7-11912.5111.9L131 P136 A249 M250L131-R253 PolarHBondContact O-NH2 3.08Å; P136-R253 HydrophobicContact CB-CG 4.35Å; P136-R253 HydrophobicContact CG-CG 3.66Å; A249-R253 CarbonylContact O-C 3.52Å; A249-R253 WeakPolarHBondContact O-CA 3.22Å; A249-R253 PolarHBondContact O-N 2.98Å; M250-R253 PolarHBondContact O-NH1 3.08Å
254I91.4Very high90.3Very high34 Ų3448.3 Ų48.317%0.17425%0.245CC..  trans-84.5123.1173-51.3169.6000107.3W248 A249 E252 L266 G267 Y269W248-I254 HydrophobicContact CD2-CD1 4.04Å; W248-I254 HydrophobicContact CG-CD1 4.23Å; W248-I254 HydrophobicContact CZ2-CD1 3.87Å; A249-I254 HydrophobicContact CB-CB 4.36Å; A249-I254 PolarHBondContact O-N 3.12Å; E252-I254 HydrophobicContact CB-CD1 3.95Å; E252-I254 HydrophobicContact CB-CG1 3.71Å; I254-L266 WeakPolarHBondContact O-CA 3.35Å; I254-G267 CarbonylContact C-O 3.57Å; I254-G267 WeakPolarHBondContact CB-O 3.08Å; I254-G267 WeakPolarHBondContact CG2-O 3.49Å; I254-G267 PolarHBondContact O-N 2.79Å; I254-Y269 HydrophobicContact CG2-CD1 4.48Å; I254-Y269 HydrophobicContact CG2-CE1 3.97Å
255T93.1Very high90.1Very high33 Ų3348.8 Ų48.820%0.20225%0.247CC..EExtended strand (participates in β ladder)trans-132.6154.5-179.259.70000110.7L132 E264 L265 L266 Y269L132-T255 HydrophobicContact CD2-CG2 3.55Å; T255-E264 VanDerWaalsContact CB-OE1 3.31Å; T255-E264 WeakPolarHBondContact CB-OE1 3.48Å; T255-E264 HydrophobicContact CG2-CG 4.16Å; T255-E264 PolarHBondContact OG1-OE1 3.35Å; T255-L265 CarbonylContact C-O 3.6Å; T255-L265 WeakPolarHBondContact CA-O 3.37Å; T255-L265 WeakPolarHBondContact CB-O 3.22Å; T255-L266 HydrophobicContact CG2-CD2 3.95Å; T255-Y269 WeakPolarHBondContact O-CE1 3.26Å; T255-Y269 PolarHBondContact O-OH 2.87Å
256F90.9Very high90Very high9 Ų948.9 Ų48.94%0.03925%0.248CC..EExtended strand (participates in β ladder)trans-134.9163.1168.868.1-80.9000109.2F223 D258 E264 L265 Y269 I276F223-F256 HydrophobicContact CB-CE1 3.83Å; F223-F256 HydrophobicContact CB-CE2 4.49Å; F223-F256 HydrophobicContact CB-CZ 3.63Å; F223-F256 HydrophobicContact CD1-CD1 4.21Å; F223-F256 HydrophobicContact CD1-CD2 4.29Å; F223-F256 AromaticContact CD1-CE1 3.94Å; F223-F256 HydrophobicContact CD1-CE1 3.94Å; F223-F256 HydrophobicContact CD1-CE2 4.03Å; F223-F256 HydrophobicContact CD1-CG 4.39Å; F223-F256 AromaticContact CD1-CZ 3.85Å; F223-F256 HydrophobicContact CD1-CZ 3.85Å; F223-F256 HydrophobicContact CD2-CD2 4.3Å; F223-F256 HydrophobicContact CD2-CE1 4.26Å; F223-F256 AromaticContact CD2-CE2 3.4Å; F223-F256 HydrophobicContact CD2-CE2 3.4Å; F223-F256 AromaticContact CD2-CZ 3.37Å; F223-F256 HydrophobicContact CD2-CZ 3.37Å; F223-F256 HydrophobicContact CE1-CD2 4.05Å; F223-F256 HydrophobicContact CE1-CE2 4.08Å; F223-F256 HydrophobicContact CE1-CG 4.32Å; F223-F256 HydrophobicContact CE1-CZ 4.36Å; F223-F256 HydrophobicContact CE2-CD2 4.06Å; F223-F256 AromaticContact CE2-CE2 3.45Å; F223-F256 HydrophobicContact CE2-CE2 3.45Å; F223-F256 VanDerWaalsContact CE2-CE2 3.45Å; F223-F256 AromaticContact CE2-CZ 3.95Å; F223-F256 HydrophobicContact CE2-CZ 3.95Å; F223-F256 HydrophobicContact CG-CD1 4.44Å; F223-F256 HydrophobicContact CG-CD2 4.41Å; F223-F256 AromaticContact CG-CE1 3.73Å; F223-F256 HydrophobicContact CG-CE1 3.73Å; F223-F256 AromaticContact CG-CE2 3.7Å; F223-F256 HydrophobicContact CG-CE2 3.7Å; F223-F256 AromaticContact CG-CZ 3.3Å; F223-F256 HydrophobicContact CG-CZ 3.3Å; F223-F256 AromaticContact CZ-CD2 3.92Å; F223-F256 HydrophobicContact CZ-CD2 3.92Å; F223-F256 AromaticContact CZ-CE2 3.8Å; F223-F256 HydrophobicContact CZ-CE2 3.8Å; F223-F256 HydrophobicContact CZ-CZ 4.41Å; F256-D258 HydrophobicContact CE2-CB 4.27Å; F256-E264 CarbonylContact O-C 3.6Å; F256-E264 WeakPolarHBondContact O-CA 3.45Å; F256-L265 HydrophobicContact CD1-CB 4.38Å; F256-L265 HydrophobicContact CE1-CB 3.81Å; F256-L265 HydrophobicContact CE2-CB 4.33Å; F256-L265 HydrophobicContact CE2-CD1 4.17Å; F256-L265 HydrophobicContact CZ-CB 3.78Å; F256-L265 HydrophobicContact CZ-CD1 3.87Å; F256-L265 HydrophobicContact CZ-CG 4.4Å; F256-L265 PolarHBondContact N-O 3.19Å; F256-L265 PolarHBondContact O-N 3.07Å; F256-Y269 HydrophobicContact CB-CD1 4.01Å; F256-Y269 HydrophobicContact CB-CE1 3.81Å; F256-Y269 HydrophobicContact CD1-CD1 4.48Å; F256-I276 HydrophobicContact CB-CD1 3.66Å; F256-I276 HydrophobicContact CD2-CD1 4.01Å; F256-I276 HydrophobicContact CG-CD1 4.13Å
257V90.2Very high89.8Confident82 Ų8248.8 Ų48.850%0.49725%0.247SC..EExtended strand (participates in β ladder)trans-98.5119.8172.5-179.80000107.8V259 K263V257-V259 PolarHBondContact O-N 3.48Å; V257-K263 WeakPolarHBondContact CA-O 3.39Å
258D84.8Confident89.5Confident28 Ų2848.8 Ų48.815%0.1525%0.247CC..  trans-67.5128.5174.9177.864.7000110.4F256 E260 T261 Q262 K263 L265F256-D258 HydrophobicContact CE2-CB 4.27Å; D258-E260 PolarHBondContact O-N 3.48Å; D258-E260 PolarHBondContact OD2-N 2.89Å; D258-T261 WeakPolarHBondContact CB-OG1 3.38Å; D258-T261 VanDerWaalsContact OD2-CB 3.25Å; D258-T261 WeakPolarHBondContact OD2-CB 3.38Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.26Å; D258-T261 PolarHBondContact OD2-N 3.47Å; D258-T261 PolarHBondContact OD2-OG1 2.51Å; D258-Q262 WeakPolarHBondContact O-CA 3.44Å; D258-Q262 PolarHBondContact O-N 2.7Å; D258-K263 PolarHBondContact N-O 2.93Å; D258-L265 HydrophobicContact CB-CD1 3.73Å; D258-L265 HydrophobicContact CB-CG 4.24Å
259V81Confident89.4Confident121 Ų12151.7 Ų51.773%0.73326%0.259SS*.THydrogen-bonded Turntrans-69.2-36.5-171.9179.10000111.2V257 Q262V257-V259 PolarHBondContact O-N 3.48Å; V259-Q262 PolarHBondContact O-NE2 3.43Å
260E77.7Confident89.2Confident181 Ų18153.3 Ų53.385%0.84627%0.269SS*.THydrogen-bonded Turntrans-76.9-48.2-176.4-61.6-170.7168.900112D258D258-E260 PolarHBondContact O-N 3.48Å; D258-E260 PolarHBondContact OD2-N 2.89Å
261T82.1Confident88.9Confident72 Ų7258.4 Ų58.444%0.44229%0.293SS..THydrogen-bonded Turntrans-92.7-12.5-173.866.30000113.6D258 K263D258-T261 WeakPolarHBondContact CB-OG1 3.38Å; D258-T261 VanDerWaalsContact OD2-CB 3.25Å; D258-T261 WeakPolarHBondContact OD2-CB 3.38Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.26Å; D258-T261 PolarHBondContact OD2-N 3.47Å; D258-T261 PolarHBondContact OD2-OG1 2.51Å; T261-K263 PolarHBondContact O-N 3.19Å; T261-K263 VanDerWaalsContact O-N 3.16Å; T261-K263 WeakPolarHBondContact OG1-CB 3.34Å; T261-K263 PolarHBondContact OG1-N 3.29Å
262Q87.3Confident88.6Confident139 Ų13961.8 Ų61.865%0.6531%0.307SS*.  trans57.221.5-173.7-60.6-67.7-57.300113.3D258 V259D258-Q262 WeakPolarHBondContact O-CA 3.44Å; D258-Q262 PolarHBondContact O-N 2.7Å; V259-Q262 PolarHBondContact O-NE2 3.43Å
263K89.3Confident88.5Confident121 Ų12164.4 Ų64.453%0.52634%0.338SS..  trans-90.7142.4178.5-68.8-179.8177.8179.50110.5V257 D258 T261 L265V257-K263 WeakPolarHBondContact CA-O 3.39Å; D258-K263 PolarHBondContact N-O 2.93Å; T261-K263 PolarHBondContact O-N 3.19Å; T261-K263 VanDerWaalsContact O-N 3.16Å; T261-K263 WeakPolarHBondContact OG1-CB 3.34Å; T261-K263 PolarHBondContact OG1-N 3.29Å; K263-L265 HydrophobicContact CB-CD2 4.16Å
264E93.7Very high88.1Confident96 Ų9671.5 Ų71.545%0.44937%0.373SS..EExtended strand (participates in β ladder)trans-75.7124.6165.8-172.9177.9-16900109.4N128 L132 T255 F256N128-E264 PolarHBondContact ND2-O 2.74Å; L132-E264 HydrophobicContact CD1-CB 4.12Å; L132-E264 HydrophobicContact CD1-CG 3.93Å; L132-E264 VanDerWaalsContact CD1-O 3.23Å; L132-E264 WeakPolarHBondContact CD1-O 3.31Å; T255-E264 VanDerWaalsContact CB-OE1 3.31Å; T255-E264 WeakPolarHBondContact CB-OE1 3.48Å; T255-E264 HydrophobicContact CG2-CG 4.16Å; T255-E264 PolarHBondContact OG1-OE1 3.35Å; F256-E264 CarbonylContact O-C 3.6Å; F256-E264 WeakPolarHBondContact O-CA 3.45Å
265L93Very high87.9Confident11 Ų1176.9 Ų76.96%0.05840%0.398CS..EExtended strand (participates in β ladder)trans-124142.8-177.6-59.4-177.3000110.8N128 T255 F256 D258 K263N128-L265 WeakPolarHBondContact ND2-CD2 3.29Å; N128-L265 WeakPolarHBondContact OD1-CA 3.44Å; T255-L265 CarbonylContact C-O 3.6Å; T255-L265 WeakPolarHBondContact CA-O 3.37Å; T255-L265 WeakPolarHBondContact CB-O 3.22Å; F256-L265 HydrophobicContact CD1-CB 4.38Å; F256-L265 HydrophobicContact CE1-CB 3.81Å; F256-L265 HydrophobicContact CE2-CB 4.33Å; F256-L265 HydrophobicContact CE2-CD1 4.17Å; F256-L265 HydrophobicContact CZ-CB 3.78Å; F256-L265 HydrophobicContact CZ-CD1 3.87Å; F256-L265 HydrophobicContact CZ-CG 4.4Å; F256-L265 PolarHBondContact N-O 3.19Å; F256-L265 PolarHBondContact O-N 3.07Å; D258-L265 HydrophobicContact CB-CD1 3.73Å; D258-L265 HydrophobicContact CB-CG 4.24Å; K263-L265 HydrophobicContact CB-CD2 4.16Å
266L93.9Very high87.7Confident1 Ų177.8 Ų77.81%0.00540%0.401CS..EExtended strand (participates in β ladder)trans-71.6122.2168.5-75167.2000110.1N128 L131 L132 P167 Y224 A249 I254 T255N128-L266 PolarHBondContact OD1-N 3.3Å; L131-L266 HydrophobicContact CB-CD1 3.97Å; L131-L266 HydrophobicContact CD1-CD1 3.56Å; L131-L266 HydrophobicContact CG-CD1 4.41Å; L132-L266 HydrophobicContact CD2-CD2 4.14Å; L132-L266 HydrophobicContact CD2-CG 4.21Å; P167-L266 HydrophobicContact CG-CB 4.11Å; Y224-L266 VanDerWaalsContact CE1-O 3.22Å; Y224-L266 WeakPolarHBondContact CE1-O 3.42Å; Y224-L266 VanDerWaalsContact CZ-O 3.24Å; Y224-L266 PolarHBondContact OH-O 3.27Å; A249-L266 HydrophobicContact CB-CB 4.18Å; A249-L266 HydrophobicContact CB-CD2 4.48Å; I254-L266 WeakPolarHBondContact O-CA 3.35Å; T255-L266 HydrophobicContact CG2-CD2 3.95Å
267G92Very high87.7Confident0 Ų078 Ų780%040%0.403CS..  trans-170.7177.4174.800000112.1I254I254-G267 CarbonylContact C-O 3.57Å; I254-G267 WeakPolarHBondContact CB-O 3.08Å; I254-G267 WeakPolarHBondContact CG2-O 3.49Å; I254-G267 PolarHBondContact O-N 2.79Å
268S89.8Confident87.7Confident1 Ų174.6 Ų74.61%0.00738%0.382CS..  trans-123.8139.6177.4-61.90000110.1L279S268-L279 PolarHBondContact O-N 2.83Å
269Y90.6Very high88.1Confident75 Ų7573.4 Ų73.429%0.29438%0.376SS..EExtended strand (participates in β ladder)trans-149.6166.8-17457.2-89.5000110.2I254 T255 F256 I276 V277I254-Y269 HydrophobicContact CG2-CD1 4.48Å; I254-Y269 HydrophobicContact CG2-CE1 3.97Å; T255-Y269 WeakPolarHBondContact O-CE1 3.26Å; T255-Y269 PolarHBondContact O-OH 2.87Å; F256-Y269 HydrophobicContact CB-CD1 4.01Å; F256-Y269 HydrophobicContact CB-CE1 3.81Å; F256-Y269 HydrophobicContact CD1-CD1 4.48Å; Y269-I276 HydrophobicContact CD2-CB 3.65Å; Y269-I276 HydrophobicContact CD2-CG2 3.47Å; Y269-I276 VanDerWaalsContact CD2-CG2 3.47Å; Y269-I276 HydrophobicContact CE2-CB 4.19Å; Y269-I276 HydrophobicContact CE2-CG2 3.48Å; Y269-I276 VanDerWaalsContact CE2-CG2 3.48Å; Y269-I276 HydrophobicContact CG-CB 4.1Å; Y269-I276 HydrophobicContact CG-CG2 4.29Å; Y269-V277 CarbonylContact C-O 3.55Å; Y269-V277 VanDerWaalsContact CA-O 3.28Å; Y269-V277 WeakPolarHBondContact CA-O 3.34Å; Y269-V277 VanDerWaalsContact CB-O 3.31Å; Y269-V277 WeakPolarHBondContact CB-O 3.48Å
270V89.4Confident88.6Confident35 Ų3567.7 Ų67.721%0.21234%0.341CS..EExtended strand (participates in β ladder)trans-108.6132.7170.9-179.70000108.5Q272 V277 L279 A282 M289V270-Q272 HydrophobicContact CG1-CG 4.29Å; V270-V277 PolarHBondContact N-O 2.89Å; V270-V277 PolarHBondContact O-N 2.85Å; V270-L279 HydrophobicContact CG2-CD1 3.72Å; V270-A282 HydrophobicContact CB-CB 3.93Å; V270-A282 HydrophobicContact CG2-CB 3.56Å; V270-M289 HydrophobicContact CG2-CE 3.86Å; V270-M289 HydrophobicContact CG2-SD 3.81Å
271Q86.8Confident89.3Confident107 Ų10762.1 Ų62.150%0.532%0.316SS..EExtended strand (participates in β ladder)trans-81.2117.4173.2-168.874.538.100109.1G273 E274 E275Q271-G273 PolarHBondContact NE2-O 2.81Å; Q271-E274 PolarHBondContact NE2-O 3.2Å; Q271-E275 PolarHBondContact NE2-O 2.87Å
272Q84.7Confident89.8Confident89 Ų8958.8 Ų58.842%0.41630%0.295SS..EExtended strand (participates in β ladder)trans-116.894.4173.4-64.8-164.517.700109.2V270 E274 E275 V277 E285V270-Q272 HydrophobicContact CG1-CG 4.29Å; Q272-E274 PolarHBondContact O-N 2.85Å; Q272-E275 PolarHBondContact N-O 3.43Å; Q272-E275 PolarHBondContact O-N 2.99Å; Q272-V277 HydrophobicContact CB-CG2 4.12Å; Q272-V277 HydrophobicContact CG-CG2 3.84Å; Q272-E285 PolarHBondContact NE2-OE2 3.03Å; Q272-E285 VanDerWaalsContact NE2-OE2 3.16Å
273G85.5Confident90Very high70 Ų7052.4 Ų52.472%0.72227%0.266SS*.THydrogen-bonded Turntrans64.9-124.3-172.200000111.4Q271Q271-G273 PolarHBondContact NE2-O 2.81Å
274E83.5Confident90.1Very high197 Ų19749.2 Ų49.292%0.92125%0.254SS*.THydrogen-bonded Turntrans-85.5-12.4177.5-62.7-168.7162.200113.2Q271 Q272Q271-E274 PolarHBondContact NE2-O 3.2Å; Q272-E274 PolarHBondContact O-N 2.85Å
275E86.5Confident90Very high146 Ų14650.5 Ų50.568%0.68226%0.26SS*.EExtended strand (participates in β ladder)trans-97.1152.9-176.3-65.3-178176.500112.1Q271 Q272Q271-E275 PolarHBondContact NE2-O 2.87Å; Q272-E275 PolarHBondContact N-O 3.43Å; Q272-E275 PolarHBondContact O-N 2.99Å
276I88.9Confident89.9Confident53 Ų5353.9 Ų53.927%0.27228%0.278SS..EExtended strand (participates in β ladder)trans-103.8132.1169.262.6173.9000108.7F223 F256 Y269F223-I276 HydrophobicContact CE1-CD1 3.86Å; F223-I276 HydrophobicContact CE1-CG1 4.2Å; F223-I276 HydrophobicContact CZ-CD1 3.88Å; F223-I276 HydrophobicContact CZ-CG1 4.18Å; F256-I276 HydrophobicContact CB-CD1 3.66Å; F256-I276 HydrophobicContact CD2-CD1 4.01Å; F256-I276 HydrophobicContact CG-CD1 4.13Å; Y269-I276 HydrophobicContact CD2-CB 3.65Å; Y269-I276 HydrophobicContact CD2-CG2 3.47Å; Y269-I276 VanDerWaalsContact CD2-CG2 3.47Å; Y269-I276 HydrophobicContact CE2-CB 4.19Å; Y269-I276 HydrophobicContact CE2-CG2 3.48Å; Y269-I276 VanDerWaalsContact CE2-CG2 3.48Å; Y269-I276 HydrophobicContact CG-CB 4.1Å; Y269-I276 HydrophobicContact CG-CG2 4.29Å
277V90.1Very high89.6Confident14 Ų1456.9 Ų56.99%0.08530%0.298CS..EExtended strand (participates in β ladder)trans-111.9127.9177.9-178.30000108.5Y269 V270 Q272 L279 E281 A282Y269-V277 CarbonylContact C-O 3.55Å; Y269-V277 VanDerWaalsContact CA-O 3.28Å; Y269-V277 WeakPolarHBondContact CA-O 3.34Å; Y269-V277 VanDerWaalsContact CB-O 3.31Å; Y269-V277 WeakPolarHBondContact CB-O 3.48Å; V270-V277 PolarHBondContact N-O 2.89Å; V270-V277 PolarHBondContact O-N 2.85Å; Q272-V277 HydrophobicContact CB-CG2 4.12Å; Q272-V277 HydrophobicContact CG-CG2 3.84Å; V277-L279 PolarHBondContact O-N 3.48Å; V277-E281 HydrophobicContact CG1-CB 4Å; V277-E281 HydrophobicContact CG1-CG 3.95Å; V277-A282 HydrophobicContact CG1-CB 4.13Å
278P92Very high89.4Confident9 Ų965.9 Ų65.96%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-47138.7171.6-3036000112.4D222 F223 W230 G280 E281 A282D222-P278 HydrophobicContact CB-CG 3.97Å; F223-P278 HydrophobicContact CD1-CB 4.28Å; F223-P278 HydrophobicContact CD1-CG 4.1Å; F223-P278 HydrophobicContact CD2-CG 4.48Å; F223-P278 HydrophobicContact CE1-CG 3.99Å; F223-P278 HydrophobicContact CE2-CG 4.38Å; F223-P278 HydrophobicContact CG-CG 4.35Å; F223-P278 HydrophobicContact CZ-CG 4.14Å; W230-P278 HydrophobicContact CH2-CG 4.48Å; W230-P278 HydrophobicContact CZ2-CB 4.06Å; W230-P278 HydrophobicContact CZ2-CG 4.27Å; P278-G280 VanDerWaalsContact C-N 3.28Å; P278-G280 PolarHBondContact O-N 3.29Å; P278-E281 HydrophobicContact CB-CB 4.29Å; P278-E281 WeakPolarHBondContact CD-OE2 3.24Å; P278-E281 PolarHBondContact O-N 2.95Å; P278-E281 VanDerWaalsContact O-N 3.14Å; P278-A282 PolarHBondContact O-N 2.79Å
279L92.7Very high89.2Confident3 Ų367.8 Ų67.82%0.01635%0.346CS..Hα-helixtrans-60.7-38.1-173.4-171.564.2000113.2I245 W248 S268 V270 V277 E281 A282 L283 M289 L291 L312I245-L279 HydrophobicContact CD1-CB 3.95Å; I245-L279 HydrophobicContact CD1-CD2 3.48Å; I245-L279 VanDerWaalsContact CD1-CD2 3.48Å; I245-L279 HydrophobicContact CD1-CG 4.3Å; W248-L279 HydrophobicContact CE3-CD2 4.43Å; W248-L279 HydrophobicContact CZ3-CD2 3.79Å; S268-L279 PolarHBondContact O-N 2.83Å; V270-L279 HydrophobicContact CG2-CD1 3.72Å; V277-L279 PolarHBondContact O-N 3.48Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-A282 PolarHBondContact O-N 3.34Å; L279-L283 HydrophobicContact CG-CD1 4.13Å; L279-L283 WeakPolarHBondContact O-CB 3.48Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.3Å; L279-M289 HydrophobicContact CD1-CE 3.87Å; L279-L291 HydrophobicContact CD1-CD2 3.65Å; L279-L291 HydrophobicContact CD2-CD2 4.13Å; L279-L291 HydrophobicContact CG-CD2 4.3Å; L279-L312 HydrophobicContact CD2-CD1 4.06Å; L279-L312 HydrophobicContact CD2-CD2 4.49Å
280G92.1Very high88.7Confident1 Ų172.2 Ų72.21%0.0137%0.37CS..Hα-helixtrans-62.1-41178.100000112.7M225 P278 L283 L284M225-G280 WeakPolarHBondContact O-CA 3.46Å; P278-G280 VanDerWaalsContact C-N 3.28Å; P278-G280 PolarHBondContact O-N 3.29Å; G280-L283 PolarHBondContact O-N 3.43Å; G280-L284 PolarHBondContact O-N 3.4Å
281E91.3Very high88Confident65 Ų6571.9 Ų71.930%0.30437%0.366SS..Hα-helixtrans-67-47.1176.3-177.3177.2-171.500111.1W230 V277 P278 L279 L283 L284 E285W230-E281 HydrophobicContact CD2-CB 4.45Å; W230-E281 HydrophobicContact CH2-CB 4.38Å; W230-E281 HydrophobicContact CZ2-CB 3.99Å; V277-E281 HydrophobicContact CG1-CB 4Å; V277-E281 HydrophobicContact CG1-CG 3.95Å; P278-E281 HydrophobicContact CB-CB 4.29Å; P278-E281 WeakPolarHBondContact CD-OE2 3.24Å; P278-E281 PolarHBondContact O-N 2.95Å; P278-E281 VanDerWaalsContact O-N 3.14Å; L279-E281 VanDerWaalsContact C-N 3.34Å; E281-L283 VanDerWaalsContact C-N 3.26Å; E281-L283 PolarHBondContact O-N 3Å; E281-L284 WeakPolarHBondContact O-CA 3.42Å; E281-L284 VanDerWaalsContact O-CB 3.27Å; E281-L284 WeakPolarHBondContact O-CB 3.25Å; E281-L284 PolarHBondContact O-N 2.98Å; E281-E285 PolarHBondContact O-N 3.05Å
282A91.8Very high87.2Confident2 Ų273.9 Ų73.92%0.01738%0.38CS..Hα-helixtrans-61-34.8177.200000112.9V270 V277 P278 L279 L284 N286 M289V270-A282 HydrophobicContact CB-CB 3.93Å; V270-A282 HydrophobicContact CG2-CB 3.56Å; V277-A282 HydrophobicContact CG1-CB 4.13Å; P278-A282 PolarHBondContact O-N 2.79Å; L279-A282 PolarHBondContact O-N 3.34Å; A282-L284 VanDerWaalsContact C-N 3.35Å; A282-N286 PolarHBondContact O-N 3.39Å; A282-M289 HydrophobicContact CB-CE 3.93Å; A282-M289 HydrophobicContact CB-SD 4.43Å
283L92.6Very high86.3Confident5 Ų570.5 Ų70.53%0.02636%0.364CS..Hα-helixtrans-71-29.2173.1-78.3170.1000112.6P227 F241 L279 G280 E281 N286 P287 M289 L291 F314P227-L283 HydrophobicContact CG-CB 3.71Å; P227-L283 HydrophobicContact CG-CD1 4.17Å; F241-L283 HydrophobicContact CE2-CD1 3.73Å; F241-L283 HydrophobicContact CZ-CD1 3.88Å; L279-L283 HydrophobicContact CG-CD1 4.13Å; L279-L283 WeakPolarHBondContact O-CB 3.48Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.3Å; G280-L283 PolarHBondContact O-N 3.43Å; E281-L283 VanDerWaalsContact C-N 3.26Å; E281-L283 PolarHBondContact O-N 3Å; L283-N286 CarbonylContact O-C 3.55Å; L283-P287 WeakPolarHBondContact O-CA 3.29Å; L283-M289 HydrophobicContact CD2-CB 4.24Å; L283-M289 HydrophobicContact CD2-CE 3.64Å; L283-M289 HydrophobicContact CG-CE 3.69Å; L283-L291 HydrophobicContact CD2-CD2 4.39Å; L283-F314 HydrophobicContact CB-CD2 4.42Å; L283-F314 WeakPolarHBondContact O-CD2 3.37Å
284L91Very high85Confident53 Ų5370.5 Ų70.528%0.27735%0.351SS..Hα-helixtrans-68.1-42.6173.3-172.965.9000111.1P227 W230 E231 G280 E281 A282 F314P227-L284 HydrophobicContact CB-CB 4.42Å; W230-L284 HydrophobicContact CB-CD2 3.86Å; E231-L284 HydrophobicContact CG-CD1 3.88Å; E231-L284 HydrophobicContact CG-CD2 4.29Å; G280-L284 PolarHBondContact O-N 3.4Å; E281-L284 WeakPolarHBondContact O-CA 3.42Å; E281-L284 VanDerWaalsContact O-CB 3.27Å; E281-L284 WeakPolarHBondContact O-CB 3.25Å; E281-L284 PolarHBondContact O-N 2.98Å; A282-L284 VanDerWaalsContact C-N 3.35Å; L284-F314 HydrophobicContact CD1-CE2 4.17Å
285E90.9Very high83.7Confident124 Ų12462.9 Ų62.958%0.57932%0.322SS*.Hα-helixtrans-67.2-37.9175.2-64.2-173.8148.200112.5Q272 E281Q272-E285 PolarHBondContact NE2-OE2 3.03Å; Q272-E285 VanDerWaalsContact NE2-OE2 3.16Å; E281-E285 PolarHBondContact O-N 3.05Å
286N91Very high82.3Confident82 Ų8264.6 Ų64.644%0.43932%0.323SS..  trans-134.385.6179.1-1767.8000112.1A282 L283 K288 M289A282-N286 PolarHBondContact O-N 3.39Å; L283-N286 CarbonylContact O-C 3.55Å; N286-K288 PolarHBondContact O-N 3.25Å; N286-K288 PolarHBondContact OD1-N 3.15Å; N286-M289 HydrophobicContact CB-CB 4.2Å; N286-M289 WeakPolarHBondContact O-CB 3.36Å; N286-M289 PolarHBondContact O-N 3.03Å; N286-M289 PolarHBondContact OD1-N 3.05Å
287P89.2Confident80.6Confident64 Ų6470.9 Ų70.942%0.41635%0.353SS..THydrogen-bonded Turntrans-60.7-17.1-179.1-2937.1000115.4L283 F314L283-P287 WeakPolarHBondContact O-CA 3.29Å; P287-F314 HydrophobicContact CB-CD1 3.82Å; P287-F314 HydrophobicContact CB-CD2 4.01Å; P287-F314 HydrophobicContact CB-CE1 3.98Å; P287-F314 HydrophobicContact CB-CE2 4.18Å; P287-F314 HydrophobicContact CB-CG 3.84Å; P287-F314 HydrophobicContact CB-CZ 4.17Å; P287-F314 HydrophobicContact CG-CD1 4.48Å; P287-F314 HydrophobicContact CG-CD2 4.25Å; P287-F314 HydrophobicContact CG-CE1 4.19Å; P287-F314 HydrophobicContact CG-CE2 3.96Å; P287-F314 HydrophobicContact CG-CZ 3.92Å
288K86.7Confident79.3Confident188 Ų18879.6 Ų79.682%0.81739%0.39SS*.THydrogen-bonded Turntrans-100.99.3178.7-64.2-176.6-179.4177.80112.8N286 E290N286-K288 PolarHBondContact O-N 3.25Å; N286-K288 PolarHBondContact OD1-N 3.15Å; K288-E290 PolarHBondContact O-N 3.43Å
289M85.8Confident78Confident41 Ų4180.9 Ų80.920%0.20240%0.399CS..  trans-57.6121.7178.5-179.3173.659.400110.3V270 L279 A282 L283 N286 L291V270-M289 HydrophobicContact CG2-CE 3.86Å; V270-M289 HydrophobicContact CG2-SD 3.81Å; L279-M289 HydrophobicContact CD1-CE 3.87Å; A282-M289 HydrophobicContact CB-CE 3.93Å; A282-M289 HydrophobicContact CB-SD 4.43Å; L283-M289 HydrophobicContact CD2-CB 4.24Å; L283-M289 HydrophobicContact CD2-CE 3.64Å; L283-M289 HydrophobicContact CG-CE 3.69Å; N286-M289 HydrophobicContact CB-CB 4.2Å; N286-M289 WeakPolarHBondContact O-CB 3.36Å; N286-M289 PolarHBondContact O-N 3.03Å; N286-M289 PolarHBondContact OD1-N 3.05Å; M289-L291 HydrophobicContact CE-CD2 3.95Å; M289-L291 PolarHBondContact O-N 3.19Å
290E80.1Confident77.2Confident169 Ų16981.2 Ų81.279%0.7940%0.401SS*.  trans-75.3114.4172.1-71.4-170176.200109.6K288 L292K288-E290 PolarHBondContact O-N 3.43Å; E290-L292 PolarHBondContact O-N 2.88Å
291L75.3Confident76.7Confident28 Ų2883.5 Ų83.515%0.14741%0.412CS..  trans-68.398173.5-61.4179.1000109.6L279 L283 M289 I293 L312L279-L291 HydrophobicContact CD1-CD2 3.65Å; L279-L291 HydrophobicContact CD2-CD2 4.13Å; L279-L291 HydrophobicContact CG-CD2 4.3Å; L283-L291 HydrophobicContact CD2-CD2 4.39Å; M289-L291 HydrophobicContact CE-CD2 3.95Å; M289-L291 PolarHBondContact O-N 3.19Å; L291-I293 HydrophobicContact CB-CG1 4.39Å; L291-I293 PolarHBondContact O-N 3.37Å; L291-L312 HydrophobicContact CD1-CB 3.61Å; L291-L312 HydrophobicContact CD1-CD1 4.02Å; L291-L312 HydrophobicContact CD1-CG 4.48Å
292L69.6Low76.4Confident149 Ų14984.2 Ų84.278%0.7843%0.43SS*.  trans-72.181.6168.3-70.3179000108.7E290 P294E290-L292 PolarHBondContact O-N 2.88Å; L292-P294 WeakPolarHBondContact O-CD 3.43Å; L292-P294 VanDerWaalsContact O-N 3.08Å
293I65.8Low76.3Confident17 Ų1785.8 Ų85.89%0.08745%0.446CS..  trans-66101.2172.2-61.9176.6000107.5W248 L291 A295 M300 I308 R309W248-I293 HydrophobicContact CH2-CG1 4.38Å; W248-I293 HydrophobicContact CZ2-CB 4.23Å; W248-I293 HydrophobicContact CZ2-CG1 4.03Å; W248-I293 HydrophobicContact CZ2-CG2 4.36Å; L291-I293 HydrophobicContact CB-CG1 4.39Å; L291-I293 PolarHBondContact O-N 3.37Å; I293-A295 PolarHBondContact O-N 2.88Å; I293-M300 HydrophobicContact CG2-CE 3.33Å; I293-I308 HydrophobicContact CD1-CB 4.28Å; I293-I308 HydrophobicContact CD1-CG2 3.8Å; I293-R309 HydrophobicContact CD1-CG 3.71Å
294P58.9Low76.2Confident70 Ų7085.8 Ų85.846%0.45545%0.446SS..  trans-69.2113.3179.2-5.423.1000105.7L292 R296L292-P294 WeakPolarHBondContact O-CD 3.43Å; L292-P294 VanDerWaalsContact O-N 3.08Å; P294-R296 VanDerWaalsContact C-N 3.3Å; P294-R296 PolarHBondContact O-N 3.38Å; P294-R296 VanDerWaalsContact O-N 3.12Å
295A56.3Low76.1Confident38 Ų3885.9 Ų85.931%0.31444%0.444SS..  trans-84.681.4172.900000107.7I293 M297I293-A295 PolarHBondContact O-N 2.88Å; A295-M297 PolarHBondContact O-N 3.45Å; A295-M297 VanDerWaalsContact O-N 3.12Å
296R56.9Low76.1Confident181 Ų18183.9 Ų83.968%0.68344%0.435SS*.G310 helixtrans-65.7118.7174-71-177.8172.4175-0.5106.8E252 P294 S299E252-R296 WeakPolarHBondContact OE2-CB 3.43Å; E252-R296 PolarHBondContact OE2-N 2.74Å; P294-R296 VanDerWaalsContact C-N 3.3Å; P294-R296 PolarHBondContact O-N 3.38Å; P294-R296 VanDerWaalsContact O-N 3.12Å; R296-S299 WeakPolarHBondContact O-CB 3.49Å; R296-S299 PolarHBondContact O-OG 3.29Å; R296-S299 VanDerWaalsContact O-OG 3.05Å
297M52.5Low76.3Confident185 Ų18580 Ų8091%0.91141%0.414SS*.G310 helixtrans64.541.9165.7-44.9-173.990.900117.6A295 S299A295-M297 PolarHBondContact O-N 3.45Å; A295-M297 VanDerWaalsContact O-N 3.12Å; M297-S299 PolarHBondContact O-N 3.45Å
298K61.8Low76.5Confident198 Ų19877 Ų7786%0.86139%0.394SS*.G310 helixtrans5520.9175.6-60.4-177.9178.1179.50114.6M300K298-M300 PolarHBondContact O-N 3Å
299S66.1Low76.8Confident35 Ų3573.3 Ų73.325%0.24538%0.375CS..  trans-52.5-30.7174.648.20000114.4E252 R296 M297E252-S299 WeakPolarHBondContact OE1-CB 3.48Å; E252-S299 PolarHBondContact OE1-OG 2.94Å; R296-S299 WeakPolarHBondContact O-CB 3.49Å; R296-S299 PolarHBondContact O-OG 3.29Å; R296-S299 VanDerWaalsContact O-OG 3.05Å; M297-S299 PolarHBondContact O-N 3.45Å
300M75.8Confident77.3Confident11 Ų1173.7 Ų73.75%0.05438%0.376CS..SBendtrans-128130.8-173.9-67.5-162.4-76.300113.5V251 E252 I293 K298 M304 K305 I308V251-M300 HydrophobicContact CB-CG 4.48Å; V251-M300 HydrophobicContact CB-SD 4.42Å; V251-M300 HydrophobicContact CG1-CG 3.41Å; V251-M300 VanDerWaalsContact CG1-CG 3.41Å; V251-M300 HydrophobicContact CG1-SD 3.92Å; E252-M300 HydrophobicContact CG-CE 3.85Å; E252-M300 VanDerWaalsContact OE1-CE 3.28Å; E252-M300 WeakPolarHBondContact OE1-CE 3.32Å; I293-M300 HydrophobicContact CG2-CE 3.33Å; K298-M300 PolarHBondContact O-N 3Å; M300-M304 HydrophobicContact CB-CB 4.49Å; M300-M304 HydrophobicContact CG-CG 4.23Å; M300-M304 HydrophobicContact SD-CG 3.85Å; M300-K305 HydrophobicContact CB-CG 3.99Å; M300-K305 HydrophobicContact CE-CG 4.42Å; M300-K305 WeakPolarHBondContact O-CE 3.49Å; M300-I308 HydrophobicContact CE-CD1 4.25Å; M300-I308 HydrophobicContact SD-CD1 3.42Å; M300-I308 WeakPolarHBondContact SD-CD1 3.44Å
301N82.3Confident78.1Confident48 Ų4865.7 Ų65.726%0.25734%0.339SS..  trans-73.1165.3169.371.159.3000111.9G303 M304 K305 I332 E336N301-G303 VanDerWaalsContact C-N 3.27Å; N301-G303 PolarHBondContact O-N 2.84Å; N301-G303 WeakPolarHBondContact OD1-CA 3.2Å; N301-G303 PolarHBondContact OD1-N 2.87Å; N301-M304 PolarHBondContact O-N 3.29Å; N301-M304 PolarHBondContact OD1-N 3.12Å; N301-K305 PolarHBondContact O-N 2.97Å; N301-K305 VanDerWaalsContact O-N 3.12Å; N301-I332 VanDerWaalsContact ND2-CG2 3.27Å; N301-I332 WeakPolarHBondContact ND2-CG2 3.45Å; N301-E336 PolarHBondContact ND2-OE1 3.34Å
302A84.5Confident79.1Confident81 Ų8164.4 Ų64.467%0.66933%0.332SS*.Hα-helixtrans-60.6-35.1-177.800000113.2K305 Q306A302-K305 PolarHBondContact O-N 3.4Å; A302-Q306 WeakPolarHBondContact O-CB 3.43Å; A302-Q306 PolarHBondContact O-N 3.3Å
303G89.1Confident80.3Confident34 Ų3458.2 Ų58.235%0.35130%0.302SS..Hα-helixtrans-65.9-42177.700000112.7N301 Q306 L307N301-G303 VanDerWaalsContact C-N 3.27Å; N301-G303 PolarHBondContact O-N 2.84Å; N301-G303 WeakPolarHBondContact OD1-CA 3.2Å; N301-G303 PolarHBondContact OD1-N 2.87Å; G303-Q306 PolarHBondContact O-N 2.62Å; G303-L307 WeakPolarHBondContact O-CB 3.47Å; G303-L307 PolarHBondContact O-N 2.82Å
304M90Very high81.6Confident6 Ų660.6 Ų60.63%0.0331%0.312CS..Hα-helixtrans-65.5-44.5175.8-176.355.970.900111.5M145 I247 M300 N301 Q306 L307 I308 L329 I332M145-M304 HydrophobicContact CE-CE 3.76Å; M145-M304 HydrophobicContact SD-CE 3.42Å; M145-M304 WeakPolarHBondContact SD-CE 3.25Å; M145-M304 HydrophobicContact SD-SD 4.13Å; I247-M304 HydrophobicContact CG2-SD 4.22Å; M300-M304 HydrophobicContact CB-CB 4.49Å; M300-M304 HydrophobicContact CG-CG 4.23Å; M300-M304 HydrophobicContact SD-CG 3.85Å; N301-M304 PolarHBondContact O-N 3.29Å; N301-M304 PolarHBondContact OD1-N 3.12Å; M304-Q306 VanDerWaalsContact C-N 3.27Å; M304-Q306 PolarHBondContact O-N 3.3Å; M304-L307 PolarHBondContact O-N 3.26Å; M304-I308 HydrophobicContact CG-CD1 3.93Å; M304-I308 HydrophobicContact CG-CG1 4.47Å; M304-I308 WeakPolarHBondContact O-CG1 3.45Å; M304-I308 PolarHBondContact O-N 3.05Å; M304-I308 HydrophobicContact SD-CD1 4.07Å; M304-I308 HydrophobicContact SD-CG1 4.11Å; M304-L329 HydrophobicContact CE-CD2 3.9Å; M304-I332 HydrophobicContact CB-CG2 4.32Å; M304-I332 HydrophobicContact CE-CD1 4.29Å; M304-I332 HydrophobicContact CE-CG2 3.92Å
305K89.1Confident83.2Confident54 Ų5460 Ų6024%0.23530%0.304CS..Hα-helixtrans-58.3-42.7175.4-68.1179.6-173.6-1780111.7M300 N301 A302 R309M300-K305 HydrophobicContact CB-CG 3.99Å; M300-K305 HydrophobicContact CE-CG 4.42Å; M300-K305 WeakPolarHBondContact O-CE 3.49Å; N301-K305 PolarHBondContact O-N 2.97Å; N301-K305 VanDerWaalsContact O-N 3.12Å; A302-K305 PolarHBondContact O-N 3.4Å; K305-R309 WeakPolarHBondContact O-CG 3.3Å; K305-R309 PolarHBondContact O-N 3.36Å; K305-R309 VanDerWaalsContact O-N 3.13Å
306Q91.8Very high84.9Confident83 Ų8359.6 Ų59.639%0.38830%0.299SS..Hα-helixtrans-65.8-44.5178.1-175.956.133.900111.6A302 G303 M304 R309 E310A302-Q306 WeakPolarHBondContact O-CB 3.43Å; A302-Q306 PolarHBondContact O-N 3.3Å; G303-Q306 PolarHBondContact O-N 2.62Å; M304-Q306 VanDerWaalsContact C-N 3.27Å; M304-Q306 PolarHBondContact O-N 3.3Å; Q306-R309 PolarHBondContact O-N 3.25Å; Q306-E310 VanDerWaalsContact CG-OE1 3.31Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.3Å; Q306-E310 PolarHBondContact NE2-OE1 2.93Å; Q306-E310 WeakPolarHBondContact O-CG 3.4Å; Q306-E310 PolarHBondContact O-N 3.48Å; Q306-E310 VanDerWaalsContact O-N 3.09Å
307L94.6Very high86.6Confident0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-60.7-46.4177178.960.4000112.1G303 M304 R309 E310 M311 P320 L325 R328 L329 I332G303-L307 WeakPolarHBondContact O-CB 3.47Å; G303-L307 PolarHBondContact O-N 2.82Å; M304-L307 PolarHBondContact O-N 3.26Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.9Å; L307-E310 PolarHBondContact O-N 2.85Å; L307-M311 HydrophobicContact CD1-CG 4.21Å; L307-M311 HydrophobicContact CD1-SD 4.29Å; L307-M311 HydrophobicContact CG-CG 4.38Å; L307-M311 HydrophobicContact CG-SD 3.94Å; L307-M311 VanDerWaalsContact O-CG 3.27Å; L307-M311 WeakPolarHBondContact O-CG 3.37Å; L307-M311 PolarHBondContact O-N 2.82Å; L307-P320 HydrophobicContact CD1-CG 4.26Å; L307-L325 HydrophobicContact CD1-CD1 3.83Å; L307-L325 HydrophobicContact CD2-CD1 3.93Å; L307-L325 HydrophobicContact CG-CD1 4.15Å; L307-R328 HydrophobicContact CD1-CB 4.43Å; L307-R328 HydrophobicContact CD2-CB 4.31Å; L307-L329 HydrophobicContact CD2-CD2 3.63Å; L307-L329 HydrophobicContact CD2-CG 4.04Å; L307-I332 HydrophobicContact CB-CD1 4.17Å; L307-I332 HydrophobicContact CD2-CD1 3.68Å
308I94.2Very high88.6Confident0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-59.9-42.1177.5-70169.1000110.9I247 W248 I293 M300 M304 E310 M311 L312I247-I308 HydrophobicContact CG2-CD1 4.14Å; I247-I308 HydrophobicContact CG2-CG1 4.31Å; W248-I308 HydrophobicContact CB-CD1 4.21Å; W248-I308 HydrophobicContact CB-CG2 4.02Å; W248-I308 HydrophobicContact CD2-CG2 4.47Å; W248-I308 HydrophobicContact CG-CG2 4.21Å; I293-I308 HydrophobicContact CD1-CB 4.28Å; I293-I308 HydrophobicContact CD1-CG2 3.8Å; M300-I308 HydrophobicContact CE-CD1 4.25Å; M300-I308 HydrophobicContact SD-CD1 3.42Å; M300-I308 WeakPolarHBondContact SD-CD1 3.44Å; M304-I308 HydrophobicContact CG-CD1 3.93Å; M304-I308 HydrophobicContact CG-CG1 4.47Å; M304-I308 WeakPolarHBondContact O-CG1 3.45Å; M304-I308 PolarHBondContact O-N 3.05Å; M304-I308 HydrophobicContact SD-CD1 4.07Å; M304-I308 HydrophobicContact SD-CG1 4.11Å; I308-E310 VanDerWaalsContact C-N 3.32Å; I308-E310 PolarHBondContact O-N 2.82Å; I308-M311 PolarHBondContact O-N 2.88Å; I308-L312 HydrophobicContact CG2-CD1 3.69Å; I308-L312 HydrophobicContact CG2-CG 4.32Å; I308-L312 WeakPolarHBondContact O-CB 3.03Å; I308-L312 VanDerWaalsContact O-CG 3.28Å; I308-L312 WeakPolarHBondContact O-CG 3.45Å; I308-L312 PolarHBondContact O-N 2.63Å
309R93Very high90.2Very high111 Ų11146.7 Ų46.742%0.41925%0.247SC..Hα-helixtrans-60.4-41.9176.2-73.6-176.9-166.8119.3-2.8112.6I293 K305 Q306 L307 L312 S313I293-R309 HydrophobicContact CD1-CG 3.71Å; K305-R309 WeakPolarHBondContact O-CG 3.3Å; K305-R309 PolarHBondContact O-N 3.36Å; K305-R309 VanDerWaalsContact O-N 3.13Å; Q306-R309 PolarHBondContact O-N 3.25Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.9Å; R309-L312 CarbonylContact O-C 3.59Å; R309-L312 PolarHBondContact O-N 3.17Å; R309-S313 PolarHBondContact O-N 3.45Å; R309-S313 VanDerWaalsContact O-N 3.15Å
310E95.6Very high91.7Very high49 Ų4945.1 Ų45.123%0.22924%0.236CC..Hα-helixtrans-69-41.3178.7-70.1167.2-158.100111.6Q306 L307 I308 L312 S313 R319 R328Q306-E310 VanDerWaalsContact CG-OE1 3.31Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.3Å; Q306-E310 PolarHBondContact NE2-OE1 2.93Å; Q306-E310 WeakPolarHBondContact O-CG 3.4Å; Q306-E310 PolarHBondContact O-N 3.48Å; Q306-E310 VanDerWaalsContact O-N 3.09Å; L307-E310 PolarHBondContact O-N 2.85Å; I308-E310 VanDerWaalsContact C-N 3.32Å; I308-E310 PolarHBondContact O-N 2.82Å; E310-L312 PolarHBondContact O-N 3.13Å; E310-S313 WeakPolarHBondContact O-CB 3.46Å; E310-S313 PolarHBondContact O-N 3.32Å; E310-R319 WeakPolarHBondContact O-CA 3.41Å; E310-R319 WeakPolarHBondContact O-CG 3.44Å; E310-R328 IonicContact OE1-NH2 2.81Å; E310-R328 PolarHBondContact OE1-NH2 2.9Å; E310-R328 IonicContact OE2-CZ 2.72Å; E310-R328 IonicContact OE2-NH1 3.07Å; E310-R328 PolarHBondContact OE2-NH1 3.5Å; E310-R328 IonicContact OE2-NH2 3.94Å; E310-R328 PolarHBondContact OE2-NH2 3.19Å
311M97.1Very high92.7Very high1 Ų147.2 Ų47.21%0.00525%0.247CC..Hα-helixtrans-60.7-34.7173.8-67.2172.575.700112.3I240 F241 L243 G244 I247 L307 I308 R319 P320 L325I240-M311 HydrophobicContact CG2-CB 4.19Å; I240-M311 HydrophobicContact CG2-CE 4.33Å; I240-M311 HydrophobicContact CG2-CG 4.01Å; I240-M311 WeakPolarHBondContact O-CE 3.14Å; F241-M311 WeakPolarHBondContact CA-O 3.36Å; L243-M311 HydrophobicContact CB-CE 3.97Å; L243-M311 HydrophobicContact CD2-CE 4.39Å; L243-M311 HydrophobicContact CG-CE 3.91Å; G244-M311 VanDerWaalsContact N-CE 3.28Å; I247-M311 HydrophobicContact CD1-CE 4.28Å; L307-M311 HydrophobicContact CD1-CG 4.21Å; L307-M311 HydrophobicContact CD1-SD 4.29Å; L307-M311 HydrophobicContact CG-CG 4.38Å; L307-M311 HydrophobicContact CG-SD 3.94Å; L307-M311 VanDerWaalsContact O-CG 3.27Å; L307-M311 WeakPolarHBondContact O-CG 3.37Å; L307-M311 PolarHBondContact O-N 2.82Å; I308-M311 PolarHBondContact O-N 2.88Å; M311-R319 WeakPolarHBondContact O-CD 3.38Å; M311-P320 HydrophobicContact CG-CG 4.19Å; M311-L325 HydrophobicContact CE-CD1 3.81Å; M311-L325 HydrophobicContact CE-CD2 3.7Å; M311-L325 HydrophobicContact CE-CG 4.43Å; M311-L325 HydrophobicContact CG-CD1 4.16Å; M311-L325 HydrophobicContact SD-CD1 3.53Å; M311-L325 VanDerWaalsContact SD-CD1 3.53Å
312L95.6Very high93.4Very high2 Ų245.1 Ų45.11%0.0124%0.236CC..THydrogen-bonded Turntrans-94.215-179.9-60.8177.9000113.4F241 I245 W248 L279 L291 I308 R309 E310F241-L312 HydrophobicContact CD1-CD2 4.31Å; F241-L312 HydrophobicContact CD2-CD2 3.92Å; F241-L312 HydrophobicContact CE1-CD2 4.23Å; F241-L312 HydrophobicContact CE2-CB 4.22Å; F241-L312 HydrophobicContact CE2-CD2 3.83Å; F241-L312 HydrophobicContact CG-CD2 4.16Å; F241-L312 HydrophobicContact CZ-CD2 3.99Å; I245-L312 HydrophobicContact CD1-CD2 3.64Å; I245-L312 HydrophobicContact CG1-CD2 3.86Å; W248-L312 HydrophobicContact CE3-CD1 3.58Å; W248-L312 HydrophobicContact CZ3-CD1 4Å; L279-L312 HydrophobicContact CD2-CD1 4.06Å; L279-L312 HydrophobicContact CD2-CD2 4.49Å; L291-L312 HydrophobicContact CD1-CB 3.61Å; L291-L312 HydrophobicContact CD1-CD1 4.02Å; L291-L312 HydrophobicContact CD1-CG 4.48Å; I308-L312 HydrophobicContact CG2-CD1 3.69Å; I308-L312 HydrophobicContact CG2-CG 4.32Å; I308-L312 WeakPolarHBondContact O-CB 3.03Å; I308-L312 VanDerWaalsContact O-CG 3.28Å; I308-L312 WeakPolarHBondContact O-CG 3.45Å; I308-L312 PolarHBondContact O-N 2.63Å; R309-L312 CarbonylContact O-C 3.59Å; R309-L312 PolarHBondContact O-N 3.17Å; E310-L312 PolarHBondContact O-N 3.13Å
313S94.6Very high93.9Very high19 Ų1947.5 Ų47.513%0.13323%0.232CC..  trans-61.8139.4175.7179.90000110.8R309 E310 N315 E318 R319R309-S313 PolarHBondContact O-N 3.45Å; R309-S313 VanDerWaalsContact O-N 3.15Å; E310-S313 WeakPolarHBondContact O-CB 3.46Å; E310-S313 PolarHBondContact O-N 3.32Å; S313-N315 VanDerWaalsContact C-N 3.3Å; S313-N315 PolarHBondContact O-N 3.37Å; S313-N315 PolarHBondContact OG-N 2.84Å; S313-E318 PolarHBondContact OG-OE2 3.27Å; S313-R319 VanDerWaalsContact O-CZ 3.32Å; S313-R319 PolarHBondContact O-NE 3.46Å; S313-R319 PolarHBondContact O-NH2 3.37Å
314F93.4Very high94.3Very high67 Ų6749.7 Ų49.729%0.29423%0.233SC..SBendtrans-56.5-46172.3174.7-97.6000110.9P227 L283 L284 P287 P316 R319P227-F314 HydrophobicContact CB-CD2 3.68Å; P227-F314 HydrophobicContact CB-CE2 3.72Å; P227-F314 HydrophobicContact CG-CD2 3.93Å; P227-F314 HydrophobicContact CG-CE2 4.47Å; L283-F314 HydrophobicContact CB-CD2 4.42Å; L283-F314 WeakPolarHBondContact O-CD2 3.37Å; L284-F314 HydrophobicContact CD1-CE2 4.17Å; P287-F314 HydrophobicContact CB-CD1 3.82Å; P287-F314 HydrophobicContact CB-CD2 4.01Å; P287-F314 HydrophobicContact CB-CE1 3.98Å; P287-F314 HydrophobicContact CB-CE2 4.18Å; P287-F314 HydrophobicContact CB-CG 3.84Å; P287-F314 HydrophobicContact CB-CZ 4.17Å; P287-F314 HydrophobicContact CG-CD1 4.48Å; P287-F314 HydrophobicContact CG-CD2 4.25Å; P287-F314 HydrophobicContact CG-CE1 4.19Å; P287-F314 HydrophobicContact CG-CE2 3.96Å; P287-F314 HydrophobicContact CG-CZ 3.92Å; F314-P316 VanDerWaalsContact O-CD 3.28Å; F314-P316 WeakPolarHBondContact O-CD 3.27Å; F314-R319 PolarHBondContact O-NH2 2.93Å
315N92.6Very high94.7Very high57 Ų5749.4 Ų49.431%0.30523%0.231SC..SBendtrans-78.1115.9178.8-178.7-1.8000110.6S313 Q317 E318S313-N315 VanDerWaalsContact C-N 3.3Å; S313-N315 PolarHBondContact O-N 3.37Å; S313-N315 PolarHBondContact OG-N 2.84Å; N315-Q317 PolarHBondContact O-N 3.33Å; N315-Q317 VanDerWaalsContact O-N 3.08Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.3Å; N315-Q317 PolarHBondContact OD1-N 3.47Å; N315-Q317 VanDerWaalsContact OD1-N 3.08Å; N315-E318 HydrophobicContact CB-CG 3.99Å; N315-E318 PolarHBondContact O-N 3.34Å
316P93.1Very high95.1Very high30 Ų3049 Ų4920%0.19523%0.231CC..THydrogen-bonded Turntrans-61.3-23.7-178.1-23.135000114E228 K237 F314 E318 R319E228-P316 HydrophobicContact CB-CG 4.28Å; E228-P316 VanDerWaalsContact CD-CG 3.47Å; E228-P316 HydrophobicContact CG-CG 3.96Å; K237-P316 HydrophobicContact CB-CB 3.87Å; K237-P316 HydrophobicContact CG-CB 4.3Å; K237-P316 WeakPolarHBondContact CG-O 3.36Å; K237-P316 PolarHBondContact NZ-O 3.4Å; F314-P316 VanDerWaalsContact O-CD 3.28Å; F314-P316 WeakPolarHBondContact O-CD 3.27Å; P316-E318 VanDerWaalsContact C-N 3.3Å; P316-E318 PolarHBondContact O-N 2.58Å; P316-R319 PolarHBondContact O-N 3.08Å
317Q91.8Very high95.3Very high166 Ų16648.6 Ų48.678%0.77623%0.23SC*.THydrogen-bonded Turntrans-71.6-25.2178.8-61.5-176.121.500112.9N315 R319N315-Q317 PolarHBondContact O-N 3.33Å; N315-Q317 VanDerWaalsContact O-N 3.08Å; N315-Q317 WeakPolarHBondContact OD1-CB 3.3Å; N315-Q317 PolarHBondContact OD1-N 3.47Å; N315-Q317 VanDerWaalsContact OD1-N 3.08Å; Q317-R319 VanDerWaalsContact C-N 3.34Å
318E94Very high95.4Very high122 Ų12251 Ų5157%0.5724%0.24SC*.THydrogen-bonded Turntrans-81.5-16.7178.1-64.3177.4179.400112.8S313 N315 P316S313-E318 PolarHBondContact OG-OE2 3.27Å; N315-E318 HydrophobicContact CB-CG 3.99Å; N315-E318 PolarHBondContact O-N 3.34Å; P316-E318 VanDerWaalsContact C-N 3.3Å; P316-E318 PolarHBondContact O-N 2.58Å
319R96.4Very high95.5Very high4 Ų451.3 Ų51.32%0.01524%0.241CC..SBendtrans-71.1141.7174.6-53.8-177.7-166.214412.9109.5E228 K237 I240 E310 M311 S313 F314 P316 Q317E228-R319 IonicContact OE1-CZ 3.85Å; E228-R319 IonicContact OE1-NH1 3.49Å; E228-R319 PolarHBondContact OE1-NH1 3.2Å; E228-R319 IonicContact OE1-NH2 2.7Å; E228-R319 IonicContact OE2-CZ 2.92Å; E228-R319 IonicContact OE2-NH1 2.68Å; E228-R319 PolarHBondContact OE2-NH1 2.99Å; E228-R319 IonicContact OE2-NH2 3.91Å; E228-R319 PolarHBondContact OE2-NH2 2.94Å; K237-R319 HydrophobicContact CD-CB 4.26Å; K237-R319 PolarHBondContact NZ-O 3.29Å; K237-R319 PolarHBondContact O-NH1 3Å; I240-R319 HydrophobicContact CG2-CB 4.17Å; E310-R319 WeakPolarHBondContact O-CA 3.41Å; E310-R319 WeakPolarHBondContact O-CG 3.44Å; M311-R319 WeakPolarHBondContact O-CD 3.38Å; S313-R319 VanDerWaalsContact O-CZ 3.32Å; S313-R319 PolarHBondContact O-NE 3.46Å; S313-R319 PolarHBondContact O-NH2 3.37Å; F314-R319 PolarHBondContact O-NH2 2.93Å; P316-R319 PolarHBondContact O-N 3.08Å; Q317-R319 VanDerWaalsContact C-N 3.34Å
320P97.3Very high95.5Very high3 Ų349.2 Ų49.22%0.01924%0.241CC..PPolyproline II helixtrans-60.8156.4171.628.3-35.2000110.5I240 L307 M311 E324 L325I240-P320 HydrophobicContact CG2-CG 4.25Å; L307-P320 HydrophobicContact CD1-CG 4.26Å; M311-P320 HydrophobicContact CG-CG 4.19Å; P320-E324 HydrophobicContact CB-CB 4.15Å; P320-E324 HydrophobicContact CB-CG 4.32Å; P320-L325 HydrophobicContact CG-CB 4.39Å
321D96.7Very high95.4Very high55 Ų5554.6 Ų54.629%0.29426%0.259SS..PPolyproline II helixtrans-76.7167.9162.669.748.5000110.9F323 E324 L325D321-F323 VanDerWaalsContact C-N 3.26Å; D321-F323 PolarHBondContact O-N 3.24Å; D321-F323 WeakPolarHBondContact OD1-CA 3.27Å; D321-F323 WeakPolarHBondContact OD1-CB 3.04Å; D321-F323 PolarHBondContact OD1-N 2.88Å; D321-E324 PolarHBondContact O-N 2.93Å; D321-E324 PolarHBondContact OD1-N 3.04Å; D321-L325 VanDerWaalsContact O-CB 3.29Å; D321-L325 WeakPolarHBondContact O-CB 3.05Å; D321-L325 PolarHBondContact O-N 3.3Å
322A96.7Very high95.1Very high3 Ų355.3 Ų55.33%0.02526%0.263CS..Hα-helixtrans-63.6-30.3-175.200000113.7L152 A153 H156 I240 E326L152-A322 HydrophobicContact CG-CB 4.08Å; A153-A322 HydrophobicContact CB-CB 4.34Å; H156-A322 HydrophobicContact CB-CB 4.14Å; H156-A322 WeakPolarHBondContact ND1-CB 3.46Å; I240-A322 HydrophobicContact CD1-CB 3.96Å; A322-E326 PolarHBondContact O-N 3.44Å
323F96.3Very high94.7Very high132 Ų13255.7 Ų55.758%0.57927%0.266SS*.Hα-helixtrans-74.5-44.4178.8179.4-101.5000111.1D321 L325 E326 L327D321-F323 VanDerWaalsContact C-N 3.26Å; D321-F323 PolarHBondContact O-N 3.24Å; D321-F323 WeakPolarHBondContact OD1-CA 3.27Å; D321-F323 WeakPolarHBondContact OD1-CB 3.04Å; D321-F323 PolarHBondContact OD1-N 2.88Å; F323-L325 VanDerWaalsContact C-N 3.29Å; F323-L325 PolarHBondContact O-N 3Å; F323-E326 PolarHBondContact O-N 2.9Å; F323-L327 HydrophobicContact CD1-CD1 4.04Å; F323-L327 HydrophobicContact CE1-CD1 3.51Å; F323-L327 HydrophobicContact CE1-CG 4.38Å; F323-L327 HydrophobicContact CZ-CD1 3.83Å; F323-L327 HydrophobicContact CZ-CG 4.39Å; F323-L327 WeakPolarHBondContact O-CG 3.46Å; F323-L327 PolarHBondContact O-N 3.43Å; F323-L327 VanDerWaalsContact O-N 3.17Å
324E97.1Very high94.2Very high79 Ų7958.1 Ų58.137%0.36928%0.282SS..Hα-helixtrans-59.4-43.5172.1-167-160.7147.600110.9P320 D321 L327 R328P320-E324 HydrophobicContact CB-CB 4.15Å; P320-E324 HydrophobicContact CB-CG 4.32Å; D321-E324 PolarHBondContact O-N 2.93Å; D321-E324 PolarHBondContact OD1-N 3.04Å; E324-L327 PolarHBondContact O-N 3.32Å; E324-R328 HydrophobicContact CG-CG 4.47Å; E324-R328 WeakPolarHBondContact O-CB 3.21Å; E324-R328 VanDerWaalsContact O-CG 3.26Å; E324-R328 WeakPolarHBondContact O-CG 3.2Å; E324-R328 PolarHBondContact O-N 3.32Å; E324-R328 WeakPolarHBondContact OE1-CD 3.37Å; E324-R328 IonicContact OE1-CZ 2.88Å; E324-R328 IonicContact OE1-NH1 3.93Å; E324-R328 PolarHBondContact OE1-NH1 3Å
325L97.6Very high93.4Very high0 Ų064.1 Ų64.10%030%0.303CS..Hα-helixtrans-57.9-50.7177.217562.3000111.9I240 L243 L307 M311 P320 D321 F323 L327 R328 L329I240-L325 HydrophobicContact CD1-CD2 3.84Å; I240-L325 HydrophobicContact CG2-CD2 4.49Å; L243-L325 HydrophobicContact CD2-CD2 3.66Å; L307-L325 HydrophobicContact CD1-CD1 3.83Å; L307-L325 HydrophobicContact CD2-CD1 3.93Å; L307-L325 HydrophobicContact CG-CD1 4.15Å; M311-L325 HydrophobicContact CE-CD1 3.81Å; M311-L325 HydrophobicContact CE-CD2 3.7Å; M311-L325 HydrophobicContact CE-CG 4.43Å; M311-L325 HydrophobicContact CG-CD1 4.16Å; M311-L325 HydrophobicContact SD-CD1 3.53Å; M311-L325 VanDerWaalsContact SD-CD1 3.53Å; P320-L325 HydrophobicContact CG-CB 4.39Å; D321-L325 VanDerWaalsContact O-CB 3.29Å; D321-L325 WeakPolarHBondContact O-CB 3.05Å; D321-L325 PolarHBondContact O-N 3.3Å; F323-L325 VanDerWaalsContact C-N 3.29Å; F323-L325 PolarHBondContact O-N 3Å; L325-L327 PolarHBondContact O-N 3.49Å; L325-R328 PolarHBondContact O-N 2.86Å; L325-L329 HydrophobicContact CD1-CD1 3.93Å; L325-L329 HydrophobicContact CD1-CG 4.02Å; L325-L329 HydrophobicContact CG-CD1 3.93Å; L325-L329 HydrophobicContact CG-CG 4.44Å; L325-L329 WeakPolarHBondContact O-CG 3.32Å; L325-L329 PolarHBondContact O-N 2.65Å
326E97.8Very high92.1Very high47 Ų4762.6 Ų62.622%0.2229%0.294CS..Hα-helixtrans-55.1-50.1178-177.3-177.3-15400111.3S150 A153 A322 F323 R328 L329 V330S150-E326 VanDerWaalsContact CA-OE1 3.25Å; S150-E326 WeakPolarHBondContact CA-OE1 3.39Å; S150-E326 WeakPolarHBondContact CB-OE1 3.37Å; S150-E326 PolarHBondContact OG-OE1 3.15Å; A153-E326 HydrophobicContact CB-CB 4.14Å; A153-E326 WeakPolarHBondContact CB-OE2 3.47Å; A322-E326 PolarHBondContact O-N 3.44Å; F323-E326 PolarHBondContact O-N 2.9Å; E326-R328 VanDerWaalsContact C-N 3.3Å; E326-R328 PolarHBondContact O-N 3.01Å; E326-L329 PolarHBondContact O-N 3.27Å; E326-V330 WeakPolarHBondContact O-CG2 3.45Å; E326-V330 PolarHBondContact O-N 3.34Å
327L96.6Very high90.4Very high73 Ų7367.2 Ų67.238%0.38232%0.316SS..Hα-helixtrans-60.7-39.1179.2-70.9176.8000112.5F323 E324 L325 R331F323-L327 HydrophobicContact CD1-CD1 4.04Å; F323-L327 HydrophobicContact CE1-CD1 3.51Å; F323-L327 HydrophobicContact CE1-CG 4.38Å; F323-L327 HydrophobicContact CZ-CD1 3.83Å; F323-L327 HydrophobicContact CZ-CG 4.39Å; F323-L327 WeakPolarHBondContact O-CG 3.46Å; F323-L327 PolarHBondContact O-N 3.43Å; F323-L327 VanDerWaalsContact O-N 3.17Å; E324-L327 PolarHBondContact O-N 3.32Å; L325-L327 PolarHBondContact O-N 3.49Å; L327-R331 WeakPolarHBondContact O-CG 3.49Å; L327-R331 PolarHBondContact O-N 2.06Å
328R96.4Very high88.3Confident52 Ų5265.3 Ų65.320%0.19631%0.311CS..Hα-helixtrans-71.1-39.8179.4-72.3176.766.5175.2-5.2111.9L307 E310 E324 L325 E326 R331 I332L307-R328 HydrophobicContact CD1-CB 4.43Å; L307-R328 HydrophobicContact CD2-CB 4.31Å; E310-R328 IonicContact OE1-NH2 2.81Å; E310-R328 PolarHBondContact OE1-NH2 2.9Å; E310-R328 IonicContact OE2-CZ 2.72Å; E310-R328 IonicContact OE2-NH1 3.07Å; E310-R328 PolarHBondContact OE2-NH1 3.5Å; E310-R328 IonicContact OE2-NH2 3.94Å; E310-R328 PolarHBondContact OE2-NH2 3.19Å; E324-R328 HydrophobicContact CG-CG 4.47Å; E324-R328 WeakPolarHBondContact O-CB 3.21Å; E324-R328 VanDerWaalsContact O-CG 3.26Å; E324-R328 WeakPolarHBondContact O-CG 3.2Å; E324-R328 PolarHBondContact O-N 3.32Å; E324-R328 WeakPolarHBondContact OE1-CD 3.37Å; E324-R328 IonicContact OE1-CZ 2.88Å; E324-R328 IonicContact OE1-NH1 3.93Å; E324-R328 PolarHBondContact OE1-NH1 3Å; L325-R328 PolarHBondContact O-N 2.86Å; E326-R328 VanDerWaalsContact C-N 3.3Å; E326-R328 PolarHBondContact O-N 3.01Å; R328-R331 PolarHBondContact O-N 3.26Å; R328-I332 VanDerWaalsContact O-CG1 3.25Å; R328-I332 WeakPolarHBondContact O-CG1 3.36Å; R328-I332 PolarHBondContact O-N 3.24Å
329L95.1Very high85.9Confident5 Ų569.4 Ų69.43%0.02632%0.322CS..Hα-helixtrans-60.8-44.4174.1-71.1170.5000111.3M145 L146 I247 M304 L307 L325 E326 R331 I332 A333M145-L329 HydrophobicContact CB-CD2 4.43Å; L146-L329 HydrophobicContact CD2-CB 4.15Å; I247-L329 HydrophobicContact CD1-CD1 4.39Å; I247-L329 HydrophobicContact CD1-CD2 4.24Å; M304-L329 HydrophobicContact CE-CD2 3.9Å; L307-L329 HydrophobicContact CD2-CD2 3.63Å; L307-L329 HydrophobicContact CD2-CG 4.04Å; L325-L329 HydrophobicContact CD1-CD1 3.93Å; L325-L329 HydrophobicContact CD1-CG 4.02Å; L325-L329 HydrophobicContact CG-CD1 3.93Å; L325-L329 HydrophobicContact CG-CG 4.44Å; L325-L329 WeakPolarHBondContact O-CG 3.32Å; L325-L329 PolarHBondContact O-N 2.65Å; E326-L329 PolarHBondContact O-N 3.27Å; L329-R331 PolarHBondContact O-N 3.31Å; L329-I332 PolarHBondContact O-N 3.02Å; L329-A333 WeakPolarHBondContact O-CB 3.34Å; L329-A333 PolarHBondContact O-N 3.05Å
330V94.2Very high83.1Confident68 Ų6875.8 Ų75.841%0.41236%0.356SS..Hα-helixtrans-58.9-49174.6172.50000111.2L146 E326 I332 A333 C334L146-V330 HydrophobicContact CD2-CB 4.36Å; L146-V330 HydrophobicContact CD2-CG2 3.85Å; E326-V330 WeakPolarHBondContact O-CG2 3.45Å; E326-V330 PolarHBondContact O-N 3.34Å; V330-I332 VanDerWaalsContact C-N 3.31Å; V330-I332 PolarHBondContact O-N 3.01Å; V330-A333 PolarHBondContact O-N 3.15Å; V330-C334 PolarHBondContact O-N 3.39Å; V330-C334 PolarHBondContact O-SG 2.94Å
331R93.1Very high80.2Confident161 Ų16184.2 Ų84.261%0.60841%0.408SS*.Hα-helixtrans-60.5-40.5178.9-74.3174.7-175.3172.93.9112.6L327 R328 L329 R335L327-R331 WeakPolarHBondContact O-CG 3.49Å; L327-R331 PolarHBondContact O-N 2.06Å; R328-R331 PolarHBondContact O-N 3.26Å; L329-R331 PolarHBondContact O-N 3.31Å; R331-R335 WeakPolarHBondContact O-CG 3.35Å; R331-R335 PolarHBondContact O-N 3.43Å
332I90.8Very high79.4Confident17 Ų1785.7 Ų85.79%0.08741%0.413CS..Hα-helixtrans-65.9-48.3177.8-67.8163.6000109.6N301 M304 L307 R328 L329 V330 C334 R335 E336N301-I332 VanDerWaalsContact ND2-CG2 3.27Å; N301-I332 WeakPolarHBondContact ND2-CG2 3.45Å; M304-I332 HydrophobicContact CB-CG2 4.32Å; M304-I332 HydrophobicContact CE-CD1 4.29Å; M304-I332 HydrophobicContact CE-CG2 3.92Å; L307-I332 HydrophobicContact CB-CD1 4.17Å; L307-I332 HydrophobicContact CD2-CD1 3.68Å; R328-I332 VanDerWaalsContact O-CG1 3.25Å; R328-I332 WeakPolarHBondContact O-CG1 3.36Å; R328-I332 PolarHBondContact O-N 3.24Å; L329-I332 PolarHBondContact O-N 3.02Å; V330-I332 VanDerWaalsContact C-N 3.31Å; V330-I332 PolarHBondContact O-N 3.01Å; I332-C334 PolarHBondContact O-N 3.06Å; I332-R335 PolarHBondContact O-N 3.21Å; I332-E336 WeakPolarHBondContact O-CG 3.13Å; I332-E336 PolarHBondContact O-N 2.83Å
333A87.6Confident78.5Confident10 Ų1090 Ų908%0.08343%0.434CS..Hα-helixtrans-60.1-42.1179.700000112.9T142 L146 L329 V330 R335 E336 L337T142-A333 HydrophobicContact CG2-CB 3.6Å; L146-A333 HydrophobicContact CD1-CB 3.94Å; L146-A333 HydrophobicContact CD2-CB 3.95Å; L146-A333 HydrophobicContact CG-CB 4.23Å; L329-A333 WeakPolarHBondContact O-CB 3.34Å; L329-A333 PolarHBondContact O-N 3.05Å; V330-A333 PolarHBondContact O-N 3.15Å; A333-R335 PolarHBondContact O-N 3.39Å; A333-E336 PolarHBondContact O-N 3Å; A333-L337 PolarHBondContact O-N 2.74Å
334C83.4Confident77.5Confident69 Ų6987.7 Ų87.747%0.46643%0.426SS..Hα-helixtrans-62.3-42.1177.4-690000112.5V330 I332 E336 L337V330-C334 PolarHBondContact O-N 3.39Å; V330-C334 PolarHBondContact O-SG 2.94Å; I332-C334 PolarHBondContact O-N 3.06Å; C334-E336 PolarHBondContact O-N 2.98Å; C334-L337 PolarHBondContact O-N 2.63Å
335R76.5Confident76.3Confident194 Ų19488.2 Ų88.273%0.73243%0.429SS*.Hα-helixtrans-68.2-19.4178.8-71.5176.8179.9-176.10113.4R331 I332 A333R331-R335 WeakPolarHBondContact O-CG 3.35Å; R331-R335 PolarHBondContact O-N 3.43Å; I332-R335 PolarHBondContact O-N 3.21Å; A333-R335 PolarHBondContact O-N 3.39Å
336E65.7Low75Confident24 Ų2493.7 Ų93.711%0.11246%0.456CS..Hα-helixtrans-79.5-26.8175.3-66.3-162.1145.700113R138 N301 I332 A333 C334 D338 W339R138-E336 IonicContact CZ-OE1 3.76Å; R138-E336 IonicContact CZ-OE2 3.67Å; R138-E336 IonicContact NE-OE1 3.91Å; R138-E336 IonicContact NE-OE2 3.35Å; R138-E336 PolarHBondContact NE-OE2 2.97Å; R138-E336 IonicContact NH2-OE1 2.81Å; R138-E336 PolarHBondContact NH2-OE1 3.2Å; R138-E336 IonicContact NH2-OE2 3.37Å; R138-E336 PolarHBondContact NH2-OE2 3.21Å; N301-E336 PolarHBondContact ND2-OE1 3.34Å; I332-E336 WeakPolarHBondContact O-CG 3.13Å; I332-E336 PolarHBondContact O-N 2.83Å; A333-E336 PolarHBondContact O-N 3Å; C334-E336 PolarHBondContact O-N 2.98Å; E336-D338 PolarHBondContact O-N 2.82Å; E336-W339 PolarHBondContact O-N 2.99Å
337L56.6Low73.5Confident128 Ų12896.8 Ų96.867%0.6747%0.471SS*.Hα-helixtrans-68.7-23.7176.9-72.8159.9000112.4A333 C334 W339A333-L337 PolarHBondContact O-N 2.74Å; C334-L337 PolarHBondContact O-N 2.63Å; L337-W339 VanDerWaalsContact C-N 3.25Å; L337-W339 PolarHBondContact O-N 2.91Å
338D48.5Very low71.8Confident125 Ų12598.5 Ų98.567%0.66848%0.478SS*.THydrogen-bonded Turntrans-78.4-1.1178.6-65.8-27.7000113.8E336E336-D338 PolarHBondContact O-N 2.82Å
339W44.3Very low70Confident209 Ų209102.1 Ų102.179%0.79250%0.499SS*.THydrogen-bonded Turntrans-96.1-13.1-179.7-167.1-90.5000113.8E336 L337 T341E336-W339 PolarHBondContact O-N 2.99Å; L337-W339 VanDerWaalsContact C-N 3.25Å; L337-W339 PolarHBondContact O-N 2.91Å; W339-T341 VanDerWaalsContact C-N 3.32Å
340D38Very low67.9Low138 Ų138110.2 Ų110.274%0.73854%0.539SS*.  trans-92.616.4179.9-76.2-20.8000113.1
341T35.7Very low65.5Low179 Ų179114 Ų114100%1.09855%0.55SS**  trans-116.20169.253.20000111.6W339W339-T341 VanDerWaalsContact C-N 3.32Å

Retrieved 341 of 341 residues in 71.4 ms (Link to these results)

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