A0A3B3VB52_9TELE Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A3B3VB52, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 354 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
1M32.7Very low33.1Very low242 Ų242153.3 Ų153.3100%1.19281%0.811SS**  0112.20-90.6173.4169.800107.6
2N27Very low34.3Very low162 Ų162144.8 Ų144.887%0.86679%0.787SS**PPolyproline II helixtrans-65.3132.2178.2-94.1-11.5000111.1
3P31.4Very low35.2Very low122 Ų122147.9 Ų147.979%0.79278%0.781SS**PPolyproline II helixtrans-78.9133.3158.123.8-12.7000109.2
4R29.6Very low36.5Very low241 Ų241143.1 Ų143.191%0.90975%0.753SS**PPolyproline II helixtrans-62.1133.3-170.5-65.7169.7172.3176.9-4.7112A6R4-A6 PolarHBondContact O-N 3.36Å
5E31.8Very low37.7Very low161 Ų161137.4 Ų137.475%0.75273%0.726SS**PPolyproline II helixtrans-56.3126.8162.9-68177.7134.300109.2T7 R42E5-T7 PolarHBondContact O-N 3.42Å; E5-R42 IonicContact OE1-NH2 3.22Å; E5-R42 PolarHBondContact OE1-NH2 3.48Å
6A28.3Very low38.4Very low105 Ų105135.1 Ų135.187%0.86872%0.724SS**  trans-81.1112.7171.600000108.8R4R4-A6 PolarHBondContact O-N 3.36Å
7T30.5Very low39.2Very low129 Ų129130.9 Ų130.979%0.79171%0.708SS**PPolyproline II helixtrans-69.5133.7174.626.10000111.1E5 S9E5-T7 PolarHBondContact O-N 3.42Å; T7-S9 PolarHBondContact O-N 3.09Å
8L36.3Very low40.2Very low142 Ų142133.2 Ų133.274%0.74371%0.713SS**PPolyproline II helixtrans-60.6124.3160.2-76155.1000107.6E10L8-E10 PolarHBondContact O-N 2.92Å
9S36.1Very low41.7Very low56 Ų56129.9 Ų129.939%0.39270%0.7SS.*PPolyproline II helixtrans-77118.2173.558.50000109.5T7 D11 V15T7-S9 PolarHBondContact O-N 3.09Å; S9-D11 PolarHBondContact O-N 3.07Å; S9-D11 VanDerWaalsContact O-N 3.15Å; S9-V15 WeakPolarHBondContact OG-CG2 3.47Å
10E41.6Very low43.9Very low194 Ų194127.6 Ų127.691%0.90768%0.684SS**THydrogen-bonded Turntrans-65.4-5.3170.8-68.9-178.8137.300113.1L8L8-E10 PolarHBondContact O-N 2.92Å
11D38.8Very low46.2Very low132 Ų132122 Ų12271%0.70665%0.653SS**THydrogen-bonded Turntrans-97.616.9-166-92-9.1000116.5S9 R13S9-D11 PolarHBondContact O-N 3.07Å; S9-D11 VanDerWaalsContact O-N 3.15Å; D11-R13 PolarHBondContact O-N 2.71Å
12G47.4Very low49.1Very low51 Ų51114.1 Ų114.153%0.52662%0.615SS.*  trans60.919.2177.800000114.8
13R46.3Very low52.3Low186 Ų186109.5 Ų109.570%0.70259%0.59SS**  trans-82139.7173.3-71.6-172.3-171.6-166.92.7110.2D11 V15D11-R13 PolarHBondContact O-N 2.71Å; R13-V15 WeakPolarHBondContact O-CG2 3.27Å; R13-V15 PolarHBondContact O-N 3.04Å
14M52.8Low55.2Low81 Ų81108.2 Ų108.240%0.39958%0.576SS.*  trans-64.6119.1173.6-56.2178.910000109.4L93 L105M14-L93 HydrophobicContact CB-CD2 4.37Å; M14-L93 HydrophobicContact CE-CB 3.73Å; M14-L93 HydrophobicContact CE-CD1 3.26Å; M14-L93 HydrophobicContact CE-CG 4.07Å; M14-L93 HydrophobicContact SD-CD1 3.88Å; M14-L105 HydrophobicContact CE-CD1 3.87Å; M14-L105 HydrophobicContact CE-CG 4.48Å
15V55.6Low58.4Low57 Ų57101.8 Ų101.835%0.34556%0.556SS.*BIsolated β-bridgetrans-112.4126.7176.6-170.80000108.8S9 R13 S17S9-V15 WeakPolarHBondContact OG-CG2 3.47Å; R13-V15 WeakPolarHBondContact O-CG2 3.27Å; R13-V15 PolarHBondContact O-N 3.04Å; V15-S17 VanDerWaalsContact C-N 3.26Å; V15-S17 PolarHBondContact O-N 3.41Å
16S48Very low61.4Low100 Ų10098.2 Ų98.270%0.69954%0.54SS*.  trans-66.893.1158173.90000106.7
17S52.9Low64.5Low64 Ų6496.6 Ų96.645%0.44852%0.519SS..PPolyproline II helixtrans-103.9139.1-178.559.40000109.6V15V15-S17 VanDerWaalsContact C-N 3.26Å; V15-S17 PolarHBondContact O-N 3.41Å
18Q57.3Low67.2Low172 Ų17291.8 Ų91.880%0.80450%0.495SS*.PPolyproline II helixtrans-56.4135.8160.8-71.6-173.7-10.200107.6K20Q18-K20 PolarHBondContact O-N 3.1Å; Q18-K20 VanDerWaalsContact O-N 3.11Å
19P68.4Low69.6Low72 Ų7292.9 Ų92.947%0.46849%0.489SS..PPolyproline II helixtrans-62.1122.2-173.818.3-25.8000109.2Y21 K41P19-Y21 PolarHBondContact O-N 3.22Å; P19-K41 WeakPolarHBondContact O-CD 3.29Å; P19-K41 WeakPolarHBondContact O-CE 3.08Å; P19-K41 PolarHBondContact O-NZ 3.23Å
20K86.2Confident71.4Confident83 Ų8392.4 Ų92.436%0.36149%0.493SS..SBendtrans-59.7-26.1177.8177177.5170.7-170.90112.3Q18 K41 E85Q18-K20 PolarHBondContact O-N 3.1Å; Q18-K20 VanDerWaalsContact O-N 3.11Å; K20-K41 PolarHBondContact O-N 3.11Å; K20-K41 VanDerWaalsContact O-N 3.07Å; K20-E85 WeakPolarHBondContact CE-OE1 3.29Å; K20-E85 IonicContact NZ-OE1 2.75Å; K20-E85 PolarHBondContact NZ-OE1 3.12Å
21Y91.6Very high72.6Confident10 Ų1088.3 Ų88.34%0.03949%0.486CS..EExtended strand (participates in β ladder)trans-119.1132.2-175.6-55.8-81.2000110.4P19 V39 V40 V47 E85 I87 V131P19-Y21 PolarHBondContact O-N 3.22Å; Y21-V39 WeakPolarHBondContact CA-O 3.46Å; Y21-V40 HydrophobicContact CD1-CG2 4.03Å; Y21-V40 HydrophobicContact CE1-CG2 3.73Å; Y21-V47 HydrophobicContact CD1-CG2 3.7Å; Y21-V47 HydrophobicContact CE1-CG2 3.94Å; Y21-E85 WeakPolarHBondContact CE2-OE1 3.38Å; Y21-E85 PolarHBondContact OH-OE1 2.91Å; Y21-I87 HydrophobicContact CD2-CD1 4.24Å; Y21-I87 HydrophobicContact CE2-CD1 3.85Å; Y21-V131 HydrophobicContact CD1-CG1 4.31Å; Y21-V131 HydrophobicContact CD2-CG2 4.26Å; Y21-V131 HydrophobicContact CE1-CG1 3.52Å; Y21-V131 HydrophobicContact CE1-CG2 4.31Å; Y21-V131 HydrophobicContact CE2-CG1 4.41Å; Y21-V131 HydrophobicContact CE2-CG2 3.73Å
22D92.7Very high74.5Confident76 Ų7685.8 Ų85.841%0.40647%0.467SS..EExtended strand (participates in β ladder)trans-95.9115.7167-72.7-37000108.9A38 V39 K41D22-A38 CarbonylContact O-C 3.51Å; D22-A38 WeakPolarHBondContact O-CA 3.38Å; D22-A38 VanDerWaalsContact O-CB 3.32Å; D22-A38 WeakPolarHBondContact O-CB 3.48Å; D22-V39 PolarHBondContact N-O 3.41Å; D22-V39 PolarHBondContact O-N 2.97Å; D22-K41 WeakPolarHBondContact OD1-CE 3.46Å; D22-K41 IonicContact OD1-NZ 3.94Å; D22-K41 PolarHBondContact OD1-NZ 2.9Å; D22-K41 WeakPolarHBondContact OD2-CE 3.27Å; D22-K41 VanDerWaalsContact OD2-CG 3.31Å; D22-K41 WeakPolarHBondContact OD2-CG 3.45Å
23L93.9Very high76.4Confident65 Ų6583.9 Ų83.934%0.3445%0.447SS..EExtended strand (participates in β ladder)trans-73.1128.1174.9-54.7-176.1000109Y36 A38 V49 W129L23-Y36 HydrophobicContact CD1-CD1 4.47Å; L23-Y36 HydrophobicContact CD1-CD2 4.31Å; L23-Y36 HydrophobicContact CD1-CG 4.23Å; L23-Y36 HydrophobicContact CD2-CG 4.46Å; L23-A38 HydrophobicContact CD2-CB 3.78Å; L23-V49 HydrophobicContact CD2-CB 3.97Å; L23-V49 HydrophobicContact CD2-CG1 4.1Å; L23-V49 HydrophobicContact CD2-CG2 4.09Å; L23-W129 HydrophobicContact CD1-CH2 4.18Å; L23-W129 HydrophobicContact CD1-CZ3 4.32Å; L23-W129 HydrophobicContact CD2-CZ3 4.14Å; L23-W129 HydrophobicContact CG-CZ3 4.43Å
24I94.3Very high78.6Confident96 Ų9675.9 Ų75.949%0.49242%0.419SS..EExtended strand (participates in β ladder)trans-97.6-63-175.5-63174.5000110.2E37 V39I24-E37 HydrophobicContact CB-CG 4.48Å; I24-E37 WeakPolarHBondContact CB-O 3.46Å; I24-E37 HydrophobicContact CD1-CG 4.29Å; I24-E37 PolarHBondContact N-O 3.38Å; I24-V39 HydrophobicContact CD1-CB 4.13Å; I24-V39 HydrophobicContact CD1-CG2 3.43Å; I24-V39 VanDerWaalsContact CD1-CG2 3.43Å
25Q95Very high80.7Confident106 Ų10673.7 Ų73.750%0.49541%0.41SS..EExtended strand (participates in β ladder)trans-150.5151.9-174.561-179.7-3.100111.2V27 Y36 E37Q25-V27 HydrophobicContact CG-CG1 4.17Å; Q25-V27 PolarHBondContact O-N 3.25Å; Q25-Y36 CarbonylContact O-C 3.6Å; Q25-Y36 WeakPolarHBondContact O-CA 3.23Å; Q25-E37 HydrophobicContact CG-CB 4.04Å; Q25-E37 PolarHBondContact NE2-OE2 2.87Å; Q25-E37 PolarHBondContact O-N 3.16Å
26E95.9Very high82.6Confident86 Ų8673.7 Ų73.740%0.40240%0.404SS..EExtended strand (participates in β ladder)trans-70.4123.9168.8178.3170.5156.200109R29 V34 Y36E26-R29 VanDerWaalsContact CD-NH2 3.31Å; E26-R29 WeakPolarHBondContact OE1-CB 3.48Å; E26-R29 IonicContact OE1-CZ 3.61Å; E26-R29 IonicContact OE1-NE 2.66Å; E26-R29 PolarHBondContact OE1-NE 2.98Å; E26-R29 IonicContact OE1-NH2 2.75Å; E26-R29 PolarHBondContact OE1-NH2 3.37Å; E26-R29 VanDerWaalsContact OE1-NH2 3.12Å; E26-R29 IonicContact OE2-CZ 3.35Å; E26-R29 IonicContact OE2-NE 3.91Å; E26-R29 IonicContact OE2-NH2 2.71Å; E26-R29 PolarHBondContact OE2-NH2 2.63Å; E26-V34 HydrophobicContact CB-CG1 4.34Å; E26-V34 HydrophobicContact CG-CG1 3.53Å; E26-V34 WeakPolarHBondContact OE2-CG1 3.13Å; E26-Y36 HydrophobicContact CB-CD1 4.32Å; E26-Y36 HydrophobicContact CB-CE1 4.2Å
27V92.6Very high84.9Confident70 Ų7069.7 Ų69.742%0.42438%0.375SS..EExtended strand (participates in β ladder)trans-107.7-16.6178.3-65.10000112.7Q25 V35 E37 F134Q25-V27 HydrophobicContact CG-CG1 4.17Å; Q25-V27 PolarHBondContact O-N 3.25Å; V27-V35 HydrophobicContact CG2-CB 4.05Å; V27-V35 HydrophobicContact CG2-CG1 3.69Å; V27-V35 WeakPolarHBondContact CG2-O 3.31Å; V27-V35 PolarHBondContact N-O 2.72Å; V27-E37 HydrophobicContact CG1-CB 3.71Å; V27-F134 HydrophobicContact CG1-CE2 4.25Å
28G87.4Confident87Confident28 Ų2866.7 Ų66.729%0.28935%0.353SS..EExtended strand (participates in β ladder)trans-167.8154177.100000112.2V35G28-V35 PolarHBondContact N-O 3.32Å; G28-V35 PolarHBondContact O-N 3.11Å
29R87.1Confident88.8Confident166 Ų16660.1 Ų60.163%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-135.5117.3175.1-179.1176-64.3-99.10108.5E26 V34E26-R29 VanDerWaalsContact CD-NH2 3.31Å; E26-R29 WeakPolarHBondContact OE1-CB 3.48Å; E26-R29 IonicContact OE1-CZ 3.61Å; E26-R29 IonicContact OE1-NE 2.66Å; E26-R29 PolarHBondContact OE1-NE 2.98Å; E26-R29 IonicContact OE1-NH2 2.75Å; E26-R29 PolarHBondContact OE1-NH2 3.37Å; E26-R29 VanDerWaalsContact OE1-NH2 3.12Å; E26-R29 IonicContact OE2-CZ 3.35Å; E26-R29 IonicContact OE2-NE 3.91Å; E26-R29 IonicContact OE2-NH2 2.71Å; E26-R29 PolarHBondContact OE2-NH2 2.63Å; R29-V34 HydrophobicContact CG-CG2 4.39Å; R29-V34 VanDerWaalsContact CZ-CG2 3.47Å
30G72.7Confident90.1Very high46 Ų4657.7 Ų57.747%0.47431%0.309SS..  trans-100-177.6172.600000111Y32 G33G30-Y32 PolarHBondContact O-N 3.48Å; G30-G33 PolarHBondContact N-O 3.26Å
31S68.8Low90.3Very high108 Ų10858.1 Ų58.176%0.75531%0.311SS*.SBendtrans-60-27178.6-490000113.3
32Y77.9Confident90.2Very high79 Ų7968.2 Ų68.231%0.3135%0.349SS..SBendtrans-118-6.2-167.5-44.8-61.5000114G30 I52 L62G30-Y32 PolarHBondContact O-N 3.48Å; Y32-I52 WeakPolarHBondContact O-CG2 3.42Å; Y32-L62 HydrophobicContact CD1-CD1 3.17Å; Y32-L62 HydrophobicContact CD2-CD1 4.02Å; Y32-L62 HydrophobicContact CE1-CD1 3.19Å; Y32-L62 HydrophobicContact CE2-CD1 4.03Å; Y32-L62 HydrophobicContact CG-CD1 3.6Å
33G87Confident90.2Very high11 Ų1168.6 Ų68.611%0.11336%0.357CS..  trans-177.4174.1-175.300000114.3G30 K51G30-G33 PolarHBondContact N-O 3.26Å; G33-K51 WeakPolarHBondContact CA-O 3.33Å
34V93.4Very high90.1Very high17 Ų1767.8 Ų67.810%0.10337%0.365CS..EExtended strand (participates in β ladder)trans-116.5132.4-180-171.60000108.9E26 R29 Y36 K51E26-V34 HydrophobicContact CB-CG1 4.34Å; E26-V34 HydrophobicContact CG-CG1 3.53Å; E26-V34 WeakPolarHBondContact OE2-CG1 3.13Å; R29-V34 HydrophobicContact CG-CG2 4.39Å; R29-V34 VanDerWaalsContact CZ-CG2 3.47Å; V34-Y36 HydrophobicContact CB-CE2 3.7Å; V34-Y36 HydrophobicContact CG1-CD2 4.22Å; V34-Y36 HydrophobicContact CG1-CE1 4.22Å; V34-Y36 HydrophobicContact CG1-CE2 3.54Å; V34-K51 PolarHBondContact N-O 2.84Å; V34-K51 PolarHBondContact O-N 2.87Å
35V95.4Very high90.1Very high35 Ų3565.5 Ų65.521%0.21236%0.36CS..EExtended strand (participates in β ladder)trans-101.3127.6177.1-171.30000108.7V27 G28 A48 V49 K50V27-V35 HydrophobicContact CG2-CB 4.05Å; V27-V35 HydrophobicContact CG2-CG1 3.69Å; V27-V35 WeakPolarHBondContact CG2-O 3.31Å; V27-V35 PolarHBondContact N-O 2.72Å; G28-V35 PolarHBondContact N-O 3.32Å; G28-V35 PolarHBondContact O-N 3.11Å; V35-A48 HydrophobicContact CG1-CB 4.29Å; V35-V49 WeakPolarHBondContact CA-O 3.3Å; V35-K50 HydrophobicContact CG2-CB 4.08Å; V35-K50 HydrophobicContact CG2-CG 3.98Å
36Y96.6Very high90.1Very high57 Ų5766.2 Ų66.222%0.22436%0.358CS..EExtended strand (participates in β ladder)trans-112.2141.7176.5-62.1-92.5000110.3L23 Q25 E26 V34 A48 V49 K51L23-Y36 HydrophobicContact CD1-CD1 4.47Å; L23-Y36 HydrophobicContact CD1-CD2 4.31Å; L23-Y36 HydrophobicContact CD1-CG 4.23Å; L23-Y36 HydrophobicContact CD2-CG 4.46Å; Q25-Y36 CarbonylContact O-C 3.6Å; Q25-Y36 WeakPolarHBondContact O-CA 3.23Å; E26-Y36 HydrophobicContact CB-CD1 4.32Å; E26-Y36 HydrophobicContact CB-CE1 4.2Å; V34-Y36 HydrophobicContact CB-CE2 3.7Å; V34-Y36 HydrophobicContact CG1-CD2 4.22Å; V34-Y36 HydrophobicContact CG1-CE1 4.22Å; V34-Y36 HydrophobicContact CG1-CE2 3.54Å; Y36-A48 CarbonylContact O-C 3.57Å; Y36-A48 WeakPolarHBondContact O-CA 3.45Å; Y36-V49 PolarHBondContact N-O 3.01Å; Y36-V49 PolarHBondContact O-N 2.92Å; Y36-K51 HydrophobicContact CE2-CB 4.25Å
37E96.4Very high90.1Very high17 Ų1762.9 Ų62.98%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-69.8134.5154.2179.8176.9-178.600108.3I24 Q25 V27 R46 F134I24-E37 HydrophobicContact CB-CG 4.48Å; I24-E37 WeakPolarHBondContact CB-O 3.46Å; I24-E37 HydrophobicContact CD1-CG 4.29Å; I24-E37 PolarHBondContact N-O 3.38Å; Q25-E37 HydrophobicContact CG-CB 4.04Å; Q25-E37 PolarHBondContact NE2-OE2 2.87Å; Q25-E37 PolarHBondContact O-N 3.16Å; V27-E37 HydrophobicContact CG1-CB 3.71Å; E37-R46 VanDerWaalsContact CD-NH2 3.35Å; E37-R46 IonicContact OE1-CZ 3.01Å; E37-R46 IonicContact OE1-NE 2.94Å; E37-R46 PolarHBondContact OE1-NE 3.21Å; E37-R46 IonicContact OE1-NH2 2.74Å; E37-R46 PolarHBondContact OE1-NH2 3.39Å; E37-R46 IonicContact OE2-NH2 3.15Å; E37-F134 HydrophobicContact CB-CD2 4.33Å; E37-F134 HydrophobicContact CB-CE2 3.74Å; E37-F134 HydrophobicContact CB-CZ 4.41Å; E37-F134 HydrophobicContact CG-CD2 4.14Å; E37-F134 HydrophobicContact CG-CE2 3.75Å; E37-F134 HydrophobicContact CG-CZ 4.15Å
38A96.4Very high90.3Very high0 Ų060 Ų600%033%0.327CS..EExtended strand (participates in β ladder)trans-140162.1177.400000111.6D22 L23 R46 V47 V49D22-A38 CarbonylContact O-C 3.51Å; D22-A38 WeakPolarHBondContact O-CA 3.38Å; D22-A38 VanDerWaalsContact O-CB 3.32Å; D22-A38 WeakPolarHBondContact O-CB 3.48Å; L23-A38 HydrophobicContact CD2-CB 3.78Å; A38-R46 CarbonylContact O-C 3.47Å; A38-R46 WeakPolarHBondContact O-CA 3.22Å; A38-V47 HydrophobicContact CB-CG2 3.96Å; A38-V47 PolarHBondContact N-O 3.3Å; A38-V47 PolarHBondContact O-N 3.21Å; A38-V49 HydrophobicContact CB-CB 4.48Å; A38-V49 HydrophobicContact CB-CG2 3.65Å
39V95.6Very high90.7Very high35 Ų3558.7 Ų58.721%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-120.3135.8175.3164.20000110.9Y21 D22 I24 K41 A45 R46Y21-V39 WeakPolarHBondContact CA-O 3.46Å; D22-V39 PolarHBondContact N-O 3.41Å; D22-V39 PolarHBondContact O-N 2.97Å; I24-V39 HydrophobicContact CD1-CB 4.13Å; I24-V39 HydrophobicContact CD1-CG2 3.43Å; I24-V39 VanDerWaalsContact CD1-CG2 3.43Å; V39-K41 PolarHBondContact O-N 2.85Å; V39-A45 CarbonylContact C-O 3.6Å; V39-A45 WeakPolarHBondContact CA-O 3.14Å; V39-R46 HydrophobicContact CG2-CG 4.17Å
40V94.3Very high91.1Very high20 Ų2051.5 Ų51.512%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-72.3115.3171.9-176.70000108.9Y21 R42 S43 G44 A45 V47Y21-V40 HydrophobicContact CD1-CG2 4.03Å; Y21-V40 HydrophobicContact CE1-CG2 3.73Å; V40-R42 PolarHBondContact O-N 3.37Å; V40-R42 VanDerWaalsContact O-N 3.1Å; V40-S43 WeakPolarHBondContact CB-OG 3.48Å; V40-S43 WeakPolarHBondContact CG1-OG 3.41Å; V40-S43 PolarHBondContact O-N 2.86Å; V40-G44 WeakPolarHBondContact O-CA 3.42Å; V40-G44 PolarHBondContact O-N 2.94Å; V40-A45 HydrophobicContact CB-CB 4.41Å; V40-A45 HydrophobicContact CG2-CB 4.24Å; V40-A45 PolarHBondContact N-O 3.31Å; V40-V47 HydrophobicContact CG2-CG1 3.88Å; V40-V47 HydrophobicContact CG2-CG2 4.4Å
41K90.4Very high92.1Very high93 Ų9351.4 Ų51.440%0.40427%0.273SS..THydrogen-bonded Turntrans-52.7-39.2-174.6-76.8-172.6177.81650114.9P19 K20 D22 V39P19-K41 WeakPolarHBondContact O-CD 3.29Å; P19-K41 WeakPolarHBondContact O-CE 3.08Å; P19-K41 PolarHBondContact O-NZ 3.23Å; K20-K41 PolarHBondContact O-N 3.11Å; K20-K41 VanDerWaalsContact O-N 3.07Å; D22-K41 WeakPolarHBondContact OD1-CE 3.46Å; D22-K41 IonicContact OD1-NZ 3.94Å; D22-K41 PolarHBondContact OD1-NZ 2.9Å; D22-K41 WeakPolarHBondContact OD2-CE 3.27Å; D22-K41 VanDerWaalsContact OD2-CG 3.31Å; D22-K41 WeakPolarHBondContact OD2-CG 3.45Å; V39-K41 PolarHBondContact O-N 2.85Å
42R90.3Very high93.3Very high222 Ų22246.3 Ų46.384%0.83824%0.237SC*.THydrogen-bonded Turntrans-75-38.2-174.1-170.4-179.9-174.5173.19.3112.8E5 V40E5-R42 IonicContact OE1-NH2 3.22Å; E5-R42 PolarHBondContact OE1-NH2 3.48Å; V40-R42 PolarHBondContact O-N 3.37Å; V40-R42 VanDerWaalsContact O-N 3.1Å
43S92.8Very high94Very high84 Ų8449 Ų4959%0.58725%0.247SC*.THydrogen-bonded Turntrans-109.5-17.2-17157.90000114V40 A45V40-S43 WeakPolarHBondContact CB-OG 3.48Å; V40-S43 WeakPolarHBondContact CG1-OG 3.41Å; V40-S43 PolarHBondContact O-N 2.86Å; S43-A45 PolarHBondContact O-N 2.95Å; S43-A45 WeakPolarHBondContact OG-CB 3.45Å; S43-A45 PolarHBondContact OG-N 2.74Å
44G92.3Very high94.2Very high48 Ų4848.6 Ų48.650%0.49524%0.243SC..  trans735.2-169.800000113.8V40V40-G44 WeakPolarHBondContact O-CA 3.42Å; V40-G44 PolarHBondContact O-N 2.94Å
45A93Very high94.1Very high47 Ų4753 Ų5339%0.38826%0.262SS..  trans-67.3137.2-179.100000111.1V39 V40 S43V39-A45 CarbonylContact C-O 3.6Å; V39-A45 WeakPolarHBondContact CA-O 3.14Å; V40-A45 HydrophobicContact CB-CB 4.41Å; V40-A45 HydrophobicContact CG2-CB 4.24Å; V40-A45 PolarHBondContact N-O 3.31Å; S43-A45 PolarHBondContact O-N 2.95Å; S43-A45 WeakPolarHBondContact OG-CB 3.45Å; S43-A45 PolarHBondContact OG-N 2.74Å
46R95.3Very high93.9Very high121 Ų12152.4 Ų52.446%0.45726%0.259SS..EExtended strand (participates in β ladder)trans-80.4136.3175.1-65.1171.273.4-155.711.7110.1E37 A38 V39 F134E37-R46 VanDerWaalsContact CD-NH2 3.35Å; E37-R46 IonicContact OE1-CZ 3.01Å; E37-R46 IonicContact OE1-NE 2.94Å; E37-R46 PolarHBondContact OE1-NE 3.21Å; E37-R46 IonicContact OE1-NH2 2.74Å; E37-R46 PolarHBondContact OE1-NH2 3.39Å; E37-R46 IonicContact OE2-NH2 3.15Å; A38-R46 CarbonylContact O-C 3.47Å; A38-R46 WeakPolarHBondContact O-CA 3.22Å; V39-R46 HydrophobicContact CG2-CG 4.17Å; R46-F134 HydrophobicContact CB-CB 4.32Å; R46-F134 HydrophobicContact CB-CG 4.48Å
47V96.2Very high93.5Very high17 Ų1750.8 Ų50.810%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-138157.5176.6-630000109.8Y21 A38 V40 V49 V131 M132Y21-V47 HydrophobicContact CD1-CG2 3.7Å; Y21-V47 HydrophobicContact CE1-CG2 3.94Å; A38-V47 HydrophobicContact CB-CG2 3.96Å; A38-V47 PolarHBondContact N-O 3.3Å; A38-V47 PolarHBondContact O-N 3.21Å; V40-V47 HydrophobicContact CG2-CG1 3.88Å; V40-V47 HydrophobicContact CG2-CG2 4.4Å; V47-V49 HydrophobicContact CG2-CG2 4.22Å; V47-V131 HydrophobicContact CB-CG1 4.07Å; V47-V131 HydrophobicContact CG1-CG1 4.3Å; V47-V131 HydrophobicContact CG2-CG1 4.03Å; V47-M132 WeakPolarHBondContact CB-O 3.48Å
48A96.8Very high93.2Very high9 Ų955.4 Ų55.47%0.07428%0.277CS..EExtended strand (participates in β ladder)trans-94.3137.3166.800000109.3V35 Y36 V131 M132 F134V35-A48 HydrophobicContact CG1-CB 4.29Å; Y36-A48 CarbonylContact O-C 3.57Å; Y36-A48 WeakPolarHBondContact O-CA 3.45Å; A48-V131 WeakPolarHBondContact O-CA 3.07Å; A48-M132 PolarHBondContact N-O 2.83Å; A48-M132 PolarHBondContact O-N 2.79Å; A48-F134 HydrophobicContact CB-CD2 4.25Å
49V96.3Very high92.9Very high0 Ų056.4 Ų56.40%028%0.283CS..EExtended strand (participates in β ladder)trans-121.9104.6175.6178.90000108.9L23 V35 Y36 A38 V47 W129 F130 V131L23-V49 HydrophobicContact CD2-CB 3.97Å; L23-V49 HydrophobicContact CD2-CG1 4.1Å; L23-V49 HydrophobicContact CD2-CG2 4.09Å; V35-V49 WeakPolarHBondContact CA-O 3.3Å; Y36-V49 PolarHBondContact N-O 3.01Å; Y36-V49 PolarHBondContact O-N 2.92Å; A38-V49 HydrophobicContact CB-CB 4.48Å; A38-V49 HydrophobicContact CB-CG2 3.65Å; V47-V49 HydrophobicContact CG2-CG2 4.22Å; V49-W129 HydrophobicContact CG1-CB 4.25Å; V49-W129 HydrophobicContact CG1-CD2 4.19Å; V49-W129 HydrophobicContact CG1-CE3 3.58Å; V49-W129 HydrophobicContact CG1-CZ3 4.3Å; V49-F130 WeakPolarHBondContact CA-O 3.49Å; V49-V131 HydrophobicContact CG2-CG2 4.45Å
50K95.2Very high92.7Very high15 Ų1554.8 Ų54.87%0.06527%0.273CS..EExtended strand (participates in β ladder)trans-84.8118.2170.5-175.3-179.1-169.5-1720108.7V35 I52 E66 W129 F130 M132 D203V35-K50 HydrophobicContact CG2-CB 4.08Å; V35-K50 HydrophobicContact CG2-CG 3.98Å; K50-I52 HydrophobicContact CG-CG1 4.38Å; K50-E66 WeakPolarHBondContact CD-OE1 3.31Å; K50-E66 WeakPolarHBondContact CE-OE2 3.1Å; K50-E66 IonicContact NZ-OE1 3.2Å; K50-E66 PolarHBondContact NZ-OE1 3.18Å; K50-E66 IonicContact NZ-OE2 2.61Å; K50-E66 PolarHBondContact NZ-OE2 3.17Å; K50-W129 CarbonylContact O-C 3.38Å; K50-W129 WeakPolarHBondContact O-CA 3.49Å; K50-F130 HydrophobicContact CB-CB 4.22Å; K50-F130 HydrophobicContact CB-CD2 4.46Å; K50-F130 PolarHBondContact N-O 2.73Å; K50-F130 PolarHBondContact O-N 3.32Å; K50-M132 HydrophobicContact CB-CE 3.67Å; K50-D203 IonicContact NZ-OD1 3.56Å; K50-D203 PolarHBondContact NZ-OD1 3.24Å; K50-D203 IonicContact NZ-OD2 2.75Å
51K94.1Very high92.5Very high45 Ų4557.1 Ų57.120%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-109.1115.7-179.4-172174.2-178.3173.90109.7G33 V34 Y36 Y127 L128 W129G33-K51 WeakPolarHBondContact CA-O 3.33Å; V34-K51 PolarHBondContact N-O 2.84Å; V34-K51 PolarHBondContact O-N 2.87Å; Y36-K51 HydrophobicContact CE2-CB 4.25Å; K51-Y127 HydrophobicContact CD-CD1 4.12Å; K51-Y127 VanDerWaalsContact CE-CG 3.43Å; K51-Y127 HydrophobicContact CG-CD1 3.84Å; K51-Y127 HydrophobicContact CG-CG 4.37Å; K51-L128 WeakPolarHBondContact CA-O 3.42Å; K51-W129 HydrophobicContact CD-CZ2 4.1Å
52I93.3Very high92.4Very high1 Ų153.4 Ų53.41%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-107.5130.1177.8-60.4-177.5000108.9Y32 K50 A63 Y127 L128 F130Y32-I52 WeakPolarHBondContact O-CG2 3.42Å; K50-I52 HydrophobicContact CG-CG1 4.38Å; I52-A63 HydrophobicContact CB-CB 4.31Å; I52-A63 HydrophobicContact CD1-CB 4.03Å; I52-A63 HydrophobicContact CG2-CB 3.9Å; I52-Y127 CarbonylContact O-C 3.57Å; I52-Y127 VanDerWaalsContact O-CA 3.23Å; I52-Y127 WeakPolarHBondContact O-CA 3.16Å; I52-L128 PolarHBondContact N-O 2.78Å; I52-L128 PolarHBondContact O-N 3.31Å; I52-F130 HydrophobicContact CD1-CD2 4.37Å; I52-F130 HydrophobicContact CD1-CE2 3.75Å; I52-F130 HydrophobicContact CG1-CE2 4.21Å
53R93.1Very high92.4Very high134 Ų13442.8 Ų42.851%0.50623%0.227SC..EExtended strand (participates in β ladder)trans-91.1118.3176.4-172.3179.2178.1-171.31.2109.7H55 N59 Y127R53-H55 VanDerWaalsContact C-N 3.29Å; R53-H55 HydrophobicContact CG-CB 4.17Å; R53-H55 PolarHBondContact O-CD2 3.04Å; R53-H55 PolarHBondContact O-N 3.03Å; R53-N59 PolarHBondContact O-ND2 3.46Å; R53-Y127 HydrophobicContact CB-CD1 3.83Å; R53-Y127 HydrophobicContact CB-CE1 3.58Å; R53-Y127 HydrophobicContact CG-CD1 4.08Å; R53-Y127 HydrophobicContact CG-CE1 3.58Å
54C92Very high92.4Very high4 Ų438.8 Ų38.83%0.02720%0.199CC..  trans-8469179.6-64.10000110.2V60 L109 F120 Y126C54-V60 HydrophobicContact CB-CG2 3.64Å; C54-L109 HydrophobicContact CB-CD2 4.13Å; C54-F120 HydrophobicContact CB-CZ 4.37Å; C54-F120 VanDerWaalsContact O-CZ 3.31Å; C54-F120 WeakPolarHBondContact O-CZ 2.89Å; C54-Y126 PolarHBondContact N-O 3.25Å
55H90.1Very high92.3Very high109 Ų10939 Ų3951%0.50518%0.184SC..  trans-107.8-5.6-178.56868.9000114.1R53 N59R53-H55 VanDerWaalsContact C-N 3.29Å; R53-H55 HydrophobicContact CG-CB 4.17Å; R53-H55 PolarHBondContact O-CD2 3.04Å; R53-H55 PolarHBondContact O-N 3.03Å; H55-N59 PolarHBondContact CE1-ND2 2.93Å; H55-N59 PolarHBondContact NE2-ND2 3.3Å
56S90.6Very high92.2Very high23 Ų2336.8 Ų36.816%0.16117%0.166CC..SBendtrans-143.1155.8174.280.20000109.6E58 N59 V60S56-E58 WeakPolarHBondContact CB-OE2 3.48Å; S56-E58 PolarHBondContact O-N 3.03Å; S56-E58 PolarHBondContact OG-OE2 2.56Å; S56-N59 PolarHBondContact O-N 2.83Å; S56-N59 PolarHBondContact OG-N 2.87Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.18Å; S56-V60 VanDerWaalsContact O-N 3.09Å
57P89.8Confident92.1Very high22 Ų2231.3 Ų31.314%0.14315%0.146CC..Hα-helixtrans-56.6-36.4178.7-24.535000113V60 E61 T112 G116 I118P57-V60 PolarHBondContact O-N 3.32Å; P57-E61 WeakPolarHBondContact O-CB 3.36Å; P57-E61 PolarHBondContact O-N 3.15Å; P57-T112 HydrophobicContact CB-CG2 4.37Å; P57-G116 VanDerWaalsContact CG-C 3.43Å; P57-G116 VanDerWaalsContact CG-O 3.31Å; P57-G116 WeakPolarHBondContact CG-O 3.49Å; P57-I118 HydrophobicContact CG-CD1 4.4Å
58E89.3Confident91.8Very high114 Ų11434.3 Ų34.353%0.53316%0.155SC..Hα-helixtrans-65.6-43.8179.3-52.377.6-169.100111.2S56 V60 E61 L62S56-E58 WeakPolarHBondContact CB-OE2 3.48Å; S56-E58 PolarHBondContact O-N 3.03Å; S56-E58 PolarHBondContact OG-OE2 2.56Å; E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 2.9Å; E58-E61 PolarHBondContact O-N 3.46Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.2Å; E58-L62 PolarHBondContact O-N 2.86Å
59N89.7Confident91.5Very high22 Ų2233.9 Ų33.912%0.11815%0.152CC..Hα-helixtrans-66.4-35.4176.5-78.3-7.7000112.1R53 H55 S56 A63R53-N59 PolarHBondContact O-ND2 3.46Å; H55-N59 PolarHBondContact CE1-ND2 2.93Å; H55-N59 PolarHBondContact NE2-ND2 3.3Å; S56-N59 PolarHBondContact O-N 2.83Å; S56-N59 PolarHBondContact OG-N 2.87Å; N59-A63 VanDerWaalsContact O-CB 3.3Å; N59-A63 WeakPolarHBondContact O-CB 3.38Å; N59-A63 PolarHBondContact O-N 2.79Å
60V91.8Very high91.3Very high0 Ų034.3 Ų34.30%015%0.154CC..Hα-helixtrans-65.2-46.7174.11730000110.6C54 S56 P57 E58 L62 A63 L64 L109 T112 F120C54-V60 HydrophobicContact CB-CG2 3.64Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.18Å; S56-V60 VanDerWaalsContact O-N 3.09Å; P57-V60 PolarHBondContact O-N 3.32Å; E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 2.9Å; V60-L62 PolarHBondContact O-N 3.44Å; V60-A63 PolarHBondContact O-N 3.13Å; V60-L64 HydrophobicContact CG1-CD1 3.98Å; V60-L64 HydrophobicContact CG1-CG 4.37Å; V60-L64 WeakPolarHBondContact O-CB 3.39Å; V60-L64 WeakPolarHBondContact O-CG 3.29Å; V60-L64 PolarHBondContact O-N 3.26Å; V60-L109 HydrophobicContact CG1-CB 4.01Å; V60-L109 HydrophobicContact CG1-CD2 4.03Å; V60-L109 WeakPolarHBondContact CG1-O 3.32Å; V60-L109 HydrophobicContact CG2-CD2 4.05Å; V60-T112 HydrophobicContact CB-CG2 4Å; V60-T112 HydrophobicContact CG1-CG2 4.05Å; V60-T112 HydrophobicContact CG2-CG2 3.87Å; V60-F120 HydrophobicContact CG2-CE1 4.47Å; V60-F120 HydrophobicContact CG2-CZ 4.43Å
61E90.3Very high91.1Very high70 Ų7035.6 Ų35.633%0.32717%0.165SC..Hα-helixtrans-59.1-48.1178.5-177.9178-168.300111.5P57 E58 A63 L64 R65P57-E61 WeakPolarHBondContact O-CB 3.36Å; P57-E61 PolarHBondContact O-N 3.15Å; E58-E61 PolarHBondContact O-N 3.46Å; E61-A63 PolarHBondContact O-N 2.91Å; E61-L64 PolarHBondContact O-N 3.11Å; E61-R65 WeakPolarHBondContact O-CB 3.4Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.39Å; E61-R65 IonicContact OE1-CZ 2.64Å; E61-R65 IonicContact OE1-NE 3.48Å; E61-R65 PolarHBondContact OE1-NE 2.89Å; E61-R65 IonicContact OE1-NH2 2.68Å; E61-R65 PolarHBondContact OE1-NH2 3Å
62L88.1Confident90.8Very high14 Ų1435.3 Ų35.37%0.07317%0.169CC..Hα-helixtrans-62.9-41.9178.9-68.5170.3000112.3Y32 E58 V60 R65 E66 G205 L206Y32-L62 HydrophobicContact CD1-CD1 3.17Å; Y32-L62 HydrophobicContact CD2-CD1 4.02Å; Y32-L62 HydrophobicContact CE1-CD1 3.19Å; Y32-L62 HydrophobicContact CE2-CD1 4.03Å; Y32-L62 HydrophobicContact CG-CD1 3.6Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.2Å; E58-L62 PolarHBondContact O-N 2.86Å; V60-L62 PolarHBondContact O-N 3.44Å; L62-R65 PolarHBondContact O-N 3.44Å; L62-E66 PolarHBondContact O-N 3.45Å; L62-G205 VanDerWaalsContact CD2-O 3.24Å; L62-G205 WeakPolarHBondContact CD2-O 3.37Å; L62-L206 HydrophobicContact CD2-CD2 3.65Å
63A91.4Very high90.6Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-65.9-39.6176.800000112.1I52 N59 V60 E61 E66 F67 L128 F130I52-A63 HydrophobicContact CB-CB 4.31Å; I52-A63 HydrophobicContact CD1-CB 4.03Å; I52-A63 HydrophobicContact CG2-CB 3.9Å; N59-A63 VanDerWaalsContact O-CB 3.3Å; N59-A63 WeakPolarHBondContact O-CB 3.38Å; N59-A63 PolarHBondContact O-N 2.79Å; V60-A63 PolarHBondContact O-N 3.13Å; E61-A63 PolarHBondContact O-N 2.91Å; A63-E66 PolarHBondContact O-N 3.32Å; A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 2.9Å; A63-L128 HydrophobicContact CB-CB 4.36Å; A63-L128 HydrophobicContact CB-CD1 3.46Å; A63-L128 VanDerWaalsContact CB-CD1 3.46Å; A63-L128 HydrophobicContact CB-CG 4.49Å; A63-F130 HydrophobicContact CB-CZ 4.47Å; A63-F130 WeakPolarHBondContact O-CZ 3.44Å
64L91.4Very high90.1Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-66.9-39.6174.9-74177000112V60 E61 F67 W68 M97 Y106 L109 V110V60-L64 HydrophobicContact CG1-CD1 3.98Å; V60-L64 HydrophobicContact CG1-CG 4.37Å; V60-L64 WeakPolarHBondContact O-CB 3.39Å; V60-L64 WeakPolarHBondContact O-CG 3.29Å; V60-L64 PolarHBondContact O-N 3.26Å; E61-L64 PolarHBondContact O-N 3.11Å; L64-F67 PolarHBondContact O-N 2.71Å; L64-W68 HydrophobicContact CB-CD2 4.39Å; L64-W68 HydrophobicContact CB-CE3 4.37Å; L64-W68 HydrophobicContact CB-CH2 4Å; L64-W68 HydrophobicContact CB-CZ2 4.01Å; L64-W68 HydrophobicContact CB-CZ3 4.17Å; L64-W68 HydrophobicContact CD1-CH2 4.17Å; L64-W68 HydrophobicContact CD1-CZ2 4.14Å; L64-W68 HydrophobicContact CD2-CZ2 4.34Å; L64-W68 HydrophobicContact CG-CZ2 4.41Å; L64-W68 WeakPolarHBondContact O-CB 3.4Å; L64-W68 VanDerWaalsContact O-CD2 3.25Å; L64-W68 PolarHBondContact O-N 3.26Å; L64-M97 HydrophobicContact CD2-CE 4.46Å; L64-Y106 HydrophobicContact CD2-CE2 3.97Å; L64-L109 HydrophobicContact CD1-CB 4.34Å; L64-L109 HydrophobicContact CD2-CB 4.38Å; L64-V110 HydrophobicContact CD1-CG2 4.24Å
65R90Very high90Very high51 Ų5142.4 Ų42.419%0.19222%0.215CC..Hα-helixtrans-59.1-47.2173.9-74.8173.6179.9-172.60.5111.6E61 L62 F67 W68 A69E61-R65 WeakPolarHBondContact O-CB 3.4Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.39Å; E61-R65 IonicContact OE1-CZ 2.64Å; E61-R65 IonicContact OE1-NE 3.48Å; E61-R65 PolarHBondContact OE1-NE 2.89Å; E61-R65 IonicContact OE1-NH2 2.68Å; E61-R65 PolarHBondContact OE1-NH2 3Å; L62-R65 PolarHBondContact O-N 3.44Å; R65-F67 PolarHBondContact O-N 3.39Å; R65-W68 PolarHBondContact O-N 3.23Å; R65-A69 WeakPolarHBondContact O-CB 3.39Å; R65-A69 PolarHBondContact O-N 2.79Å
66E92.1Very high90.1Very high2 Ų244.1 Ų44.11%0.00922%0.224CC..Hα-helixtrans-61.2-44.5176.4-174.9158.4-159.900111.6K50 L62 A63 A69 L70 F130 F204K50-E66 WeakPolarHBondContact CD-OE1 3.31Å; K50-E66 WeakPolarHBondContact CE-OE2 3.1Å; K50-E66 IonicContact NZ-OE1 3.2Å; K50-E66 PolarHBondContact NZ-OE1 3.18Å; K50-E66 IonicContact NZ-OE2 2.61Å; K50-E66 PolarHBondContact NZ-OE2 3.17Å; L62-E66 PolarHBondContact O-N 3.45Å; A63-E66 PolarHBondContact O-N 3.32Å; E66-A69 PolarHBondContact O-N 3.5Å; E66-L70 HydrophobicContact CG-CD1 3.88Å; E66-L70 WeakPolarHBondContact O-CB 3.4Å; E66-L70 PolarHBondContact O-N 2.77Å; E66-F130 HydrophobicContact CB-CE1 4.11Å; E66-F130 HydrophobicContact CB-CZ 4.09Å; E66-F130 HydrophobicContact CG-CD1 4.12Å; E66-F130 HydrophobicContact CG-CE1 3.85Å; E66-F130 HydrophobicContact CG-CZ 4.13Å; E66-F204 HydrophobicContact CG-CB 4.25Å
67F92.3Very high90.3Very high5 Ų544.5 Ų44.52%0.02222%0.222CC..Hα-helixtrans-60.7-48.9176.2174.4-111.4000112A63 L64 R65 S71 C86 M97 Y106 F130A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 2.9Å; L64-F67 PolarHBondContact O-N 2.71Å; R65-F67 PolarHBondContact O-N 3.39Å; F67-S71 WeakPolarHBondContact O-CB 3.22Å; F67-S71 PolarHBondContact O-N 3.36Å; F67-S71 PolarHBondContact O-OG 3.15Å; F67-C86 HydrophobicContact CD2-CB 3.56Å; F67-C86 HydrophobicContact CE2-CB 3.75Å; F67-M97 HydrophobicContact CB-CE 4.42Å; F67-M97 HydrophobicContact CD1-CE 3.57Å; F67-M97 HydrophobicContact CD2-CB 4.33Å; F67-M97 HydrophobicContact CD2-CE 4.01Å; F67-M97 HydrophobicContact CE1-CE 3.73Å; F67-M97 HydrophobicContact CE2-CB 3.61Å; F67-M97 HydrophobicContact CE2-CE 4.16Å; F67-M97 HydrophobicContact CG-CE 3.72Å; F67-M97 HydrophobicContact CZ-CB 3.71Å; F67-M97 HydrophobicContact CZ-CE 4.02Å; F67-Y106 HydrophobicContact CD1-CE2 4.44Å; F67-Y106 HydrophobicContact CE1-CE2 4.16Å; F67-F130 HydrophobicContact CB-CE1 3.89Å; F67-F130 HydrophobicContact CB-CZ 4.32Å
68W90.4Very high90.6Very high80 Ų8047.2 Ų47.230%0.30324%0.24SC..Hα-helixtrans-66-39.8-179.9-63.7-30.8000112.3L64 R65 S71 S72 Y106 V110L64-W68 HydrophobicContact CB-CD2 4.39Å; L64-W68 HydrophobicContact CB-CE3 4.37Å; L64-W68 HydrophobicContact CB-CH2 4Å; L64-W68 HydrophobicContact CB-CZ2 4.01Å; L64-W68 HydrophobicContact CB-CZ3 4.17Å; L64-W68 HydrophobicContact CD1-CH2 4.17Å; L64-W68 HydrophobicContact CD1-CZ2 4.14Å; L64-W68 HydrophobicContact CD2-CZ2 4.34Å; L64-W68 HydrophobicContact CG-CZ2 4.41Å; L64-W68 WeakPolarHBondContact O-CB 3.4Å; L64-W68 VanDerWaalsContact O-CD2 3.25Å; L64-W68 PolarHBondContact O-N 3.26Å; R65-W68 PolarHBondContact O-N 3.23Å; W68-S71 PolarHBondContact O-OG 3.39Å; W68-S72 VanDerWaalsContact O-CB 3.22Å; W68-S72 WeakPolarHBondContact O-CB 3.41Å; W68-S72 PolarHBondContact O-N 3.47Å; W68-S72 VanDerWaalsContact O-N 3.09Å; W68-S72 PolarHBondContact O-OG 2.71Å; W68-Y106 PolarHBondContact NE1-OH 2.75Å; W68-V110 HydrophobicContact CZ2-CG2 4.34Å
69A91.1Very high91Very high0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-61.2-55.8176.500000111R65 E66 S71 S72 F204 V209R65-A69 WeakPolarHBondContact O-CB 3.39Å; R65-A69 PolarHBondContact O-N 2.79Å; E66-A69 PolarHBondContact O-N 3.5Å; A69-S71 PolarHBondContact O-N 3.34Å; A69-S72 PolarHBondContact O-N 3.19Å; A69-S72 PolarHBondContact O-OG 2.9Å; A69-F204 HydrophobicContact CB-CB 3.9Å; A69-F204 HydrophobicContact CB-CD1 4.1Å; A69-F204 HydrophobicContact CB-CG 4.35Å; A69-V209 HydrophobicContact CB-CG2 4.12Å
70L91.8Very high91.3Very high9 Ų941.5 Ų41.55%0.04721%0.214CC..Hα-helixtrans-68.6-36.8-176.7-70.7170.4000113.1E66 S72 I73 I81 L83 F130 M132 F204E66-L70 HydrophobicContact CG-CD1 3.88Å; E66-L70 WeakPolarHBondContact O-CB 3.4Å; E66-L70 PolarHBondContact O-N 2.77Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.36Å; L70-I73 HydrophobicContact CD2-CD1 4.47Å; L70-I73 PolarHBondContact O-N 3.02Å; L70-I81 HydrophobicContact CD2-CG2 4.01Å; L70-L83 HydrophobicContact CB-CB 3.94Å; L70-L83 HydrophobicContact CB-CD2 3.58Å; L70-L83 HydrophobicContact CB-CG 4.31Å; L70-L83 HydrophobicContact CD1-CB 4.25Å; L70-L83 HydrophobicContact CD1-CD1 4.33Å; L70-L83 HydrophobicContact CD1-CD2 4.36Å; L70-L83 HydrophobicContact CG-CB 4.49Å; L70-F130 HydrophobicContact CD1-CD1 4.44Å; L70-M132 HydrophobicContact CD1-SD 4.48Å; L70-F204 HydrophobicContact CD1-CD2 4.48Å; L70-F204 HydrophobicContact CD2-CD2 3.54Å; L70-F204 HydrophobicContact CD2-CE2 3.78Å; L70-F204 HydrophobicContact CD2-CG 4.05Å; L70-F204 HydrophobicContact CD2-CZ 4.45Å; L70-F204 HydrophobicContact CG-CB 4.31Å; L70-F204 HydrophobicContact CG-CD2 4.03Å; L70-F204 HydrophobicContact CG-CG 4.2Å
71S90.3Very high91.5Very high43 Ų4341.8 Ų41.830%0.30122%0.215SC..Hα-helixtrans-74.5-18.2178.163.60000113.8F67 W68 A69 I73F67-S71 WeakPolarHBondContact O-CB 3.22Å; F67-S71 PolarHBondContact O-N 3.36Å; F67-S71 PolarHBondContact O-OG 3.15Å; W68-S71 PolarHBondContact O-OG 3.39Å; A69-S71 PolarHBondContact O-N 3.34Å; S71-I73 VanDerWaalsContact C-N 3.29Å
72S88.5Confident91.7Very high39 Ų3940.5 Ų40.527%0.27321%0.209SC..Hα-helixtrans-77.1-15.6176.772.10000113.5W68 A69 L70 Q74W68-S72 VanDerWaalsContact O-CB 3.22Å; W68-S72 WeakPolarHBondContact O-CB 3.41Å; W68-S72 PolarHBondContact O-N 3.47Å; W68-S72 VanDerWaalsContact O-N 3.09Å; W68-S72 PolarHBondContact O-OG 2.71Å; A69-S72 PolarHBondContact O-N 3.19Å; A69-S72 PolarHBondContact O-OG 2.9Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.36Å; S72-Q74 PolarHBondContact O-N 2.81Å
73I89Confident92Very high35 Ų3541.1 Ų41.118%0.17921%0.212CC..  trans-74.7111.1179.3-62.5174.1000110L70 S71 S75 V80 F167 L168 I173L70-I73 HydrophobicContact CD2-CD1 4.47Å; L70-I73 PolarHBondContact O-N 3.02Å; S71-I73 VanDerWaalsContact C-N 3.29Å; I73-S75 WeakPolarHBondContact CG2-O 3.46Å; I73-V80 HydrophobicContact CD1-CG1 4.19Å; I73-F167 HydrophobicContact CG2-CE1 3.83Å; I73-F167 HydrophobicContact CG2-CZ 3.73Å; I73-L168 HydrophobicContact CD1-CD2 4.37Å; I73-I173 HydrophobicContact CD1-CD1 3.93Å; I73-I173 HydrophobicContact CG1-CD1 3.48Å; I73-I173 VanDerWaalsContact CG1-CD1 3.48Å
74Q82.9Confident92.1Very high187 Ų18745.7 Ų45.787%0.87423%0.233SC*.  trans-83.5-19.2-176.1-63.8-179-4.600114.6S72S72-Q74 PolarHBondContact O-N 2.81Å
75S89.9Confident92.1Very high66 Ų6646.5 Ų46.546%0.46224%0.237SC..SBendtrans-135.9144.3-177.157.70000110.4I73 F167I73-S75 WeakPolarHBondContact CG2-O 3.46Å; S75-F167 WeakPolarHBondContact O-CZ 3.39Å
76Q91.9Very high92.3Very high145 Ų14544.2 Ų44.268%0.67823%0.229SC*.  trans-73.1142.2177.9-67.4-179.8-1.400110.8H82Q76-H82 PolarHBondContact NE2-CD2 2.79Å; Q76-H82 VanDerWaalsContact NE2-CD2 3.29Å; Q76-H82 PolarHBondContact NE2-CE1 2.79Å; Q76-H82 PolarHBondContact NE2-NE2 2.84Å
77H95.4Very high92.3Very high30 Ų3045.2 Ų45.214%0.13923%0.234CC..  trans-120.1135.1171.6-170.8-90.1000109.4N79 V80 S163 F167H77-N79 PolarHBondContact ND1-N 3.33Å; H77-N79 VanDerWaalsContact ND1-N 3.11Å; H77-N79 PolarHBondContact O-N 3.3Å; H77-N79 VanDerWaalsContact O-N 3.14Å; H77-V80 HydrophobicContact CB-CB 4.18Å; H77-V80 HydrophobicContact CB-CG2 4.16Å; H77-V80 PolarHBondContact O-N 3.49Å; H77-S163 PolarHBondContact NE2-OG 3.49Å; H77-F167 HydrophobicContact CB-CD1 3.66Å; H77-F167 HydrophobicContact CB-CD2 3.92Å; H77-F167 HydrophobicContact CB-CE1 3.74Å; H77-F167 HydrophobicContact CB-CE2 3.99Å; H77-F167 HydrophobicContact CB-CG 3.75Å; H77-F167 HydrophobicContact CB-CZ 3.91Å; H77-F167 AromaticContact CD2-CD2 3.6Å; H77-F167 AromaticContact CD2-CG 3.58Å; H77-F167 AromaticContact CG-CD1 3.97Å; H77-F167 AromaticContact CG-CD2 3.97Å; H77-F167 AromaticContact CG-CG 3.67Å
78P95.3Very high92.3Very high80 Ų8045 Ų4552%0.51923%0.233SC..THydrogen-bonded Turntrans-59.2-30.5-176.623-34.6000113.1K200P78-K200 WeakPolarHBondContact O-CG 3.35Å
79N97.3Very high92.3Very high12 Ų1242.9 Ų42.96%0.06423%0.227CC..THydrogen-bonded Turntrans-102.914.7-176.2-54117.7000115.5H77 Q160 A164 L199 K200 V201H77-N79 PolarHBondContact ND1-N 3.33Å; H77-N79 VanDerWaalsContact ND1-N 3.11Å; H77-N79 PolarHBondContact O-N 3.3Å; H77-N79 VanDerWaalsContact O-N 3.14Å; N79-Q160 HydrophobicContact CB-CB 4.48Å; N79-Q160 WeakPolarHBondContact ND2-CG 3.4Å; N79-Q160 PolarHBondContact ND2-OE1 2.82Å; N79-A164 HydrophobicContact CB-CB 3.77Å; N79-A164 WeakPolarHBondContact O-CB 3.45Å; N79-L199 VanDerWaalsContact CA-O 3.24Å; N79-L199 WeakPolarHBondContact CA-O 3.49Å; N79-L199 HydrophobicContact CB-CD1 4.15Å; N79-L199 PolarHBondContact ND2-O 3.5Å; N79-K200 WeakPolarHBondContact O-CA 3.48Å; N79-V201 PolarHBondContact O-N 3.25Å
80V97.1Very high92.3Very high4 Ų446 Ų462%0.02424%0.239CC..BIsolated β-bridgetrans-121.7141.5170.5177.60000108.2I73 H77 H82 A164 F167 L168 F204I73-V80 HydrophobicContact CD1-CG1 4.19Å; H77-V80 HydrophobicContact CB-CB 4.18Å; H77-V80 HydrophobicContact CB-CG2 4.16Å; H77-V80 PolarHBondContact O-N 3.49Å; V80-H82 PolarHBondContact O-N 2.99Å; V80-A164 HydrophobicContact CG2-CB 4.12Å; V80-F167 HydrophobicContact CG2-CD1 3.91Å; V80-F167 HydrophobicContact CG2-CE1 4.45Å; V80-L168 HydrophobicContact CG1-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CG 4.13Å; V80-F204 HydrophobicContact CG1-CE2 4.32Å; V80-F204 HydrophobicContact CG1-CZ 3.81Å
81I95.8Very high92Very high6 Ų649 Ų493%0.03126%0.255CS..  trans-62132.2178.2-160.969.1000110L70 M132 D133 L184 K200 V201 A202 F204L70-I81 HydrophobicContact CD2-CG2 4.01Å; I81-M132 HydrophobicContact CG1-CB 4.04Å; I81-M132 HydrophobicContact CG1-CG 4.46Å; I81-M132 HydrophobicContact CG1-SD 4.17Å; I81-M132 HydrophobicContact CG2-SD 4.38Å; I81-D133 HydrophobicContact CD1-CB 3.92Å; I81-L184 HydrophobicContact CD1-CD1 4.27Å; I81-K200 HydrophobicContact CD1-CB 4.39Å; I81-K200 HydrophobicContact CD1-CD 4.21Å; I81-V201 WeakPolarHBondContact CB-O 3.39Å; I81-V201 PolarHBondContact N-O 3.4Å; I81-A202 HydrophobicContact CB-CB 4.14Å; I81-A202 HydrophobicContact CG2-CB 4.2Å; I81-F204 HydrophobicContact CG2-CD2 4.28Å; I81-F204 HydrophobicContact CG2-CE2 3.8Å
82H94.7Very high91.6Very high42 Ų4255.1 Ų55.119%0.19428%0.279CS..  trans-88.6131.9177.9173.7-113.9000110.3Q76 V80 E84 M132 D133Q76-H82 PolarHBondContact NE2-CD2 2.79Å; Q76-H82 VanDerWaalsContact NE2-CD2 3.29Å; Q76-H82 PolarHBondContact NE2-CE1 2.79Å; Q76-H82 PolarHBondContact NE2-NE2 2.84Å; V80-H82 PolarHBondContact O-N 2.99Å; H82-E84 IonicContact CE1-OE2 3.89Å; H82-E84 PolarHBondContact CE1-OE2 2.7Å; H82-M132 WeakPolarHBondContact O-CA 3.44Å; H82-M132 WeakPolarHBondContact O-CB 3.29Å; H82-D133 WeakPolarHBondContact CB-OD2 3.46Å; H82-D133 IonicContact ND1-OD1 3.52Å; H82-D133 PolarHBondContact O-N 2.99Å
83L94.6Very high91.3Very high27 Ų2756 Ų5614%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-94.6110.2169.8179.271.2000109.2L70 E85 F130 M132L70-L83 HydrophobicContact CB-CB 3.94Å; L70-L83 HydrophobicContact CB-CD2 3.58Å; L70-L83 HydrophobicContact CB-CG 4.31Å; L70-L83 HydrophobicContact CD1-CB 4.25Å; L70-L83 HydrophobicContact CD1-CD1 4.33Å; L70-L83 HydrophobicContact CD1-CD2 4.36Å; L70-L83 HydrophobicContact CG-CB 4.49Å; L83-E85 WeakPolarHBondContact CD1-O 3.41Å; L83-F130 HydrophobicContact CD1-CB 3.97Å; L83-F130 HydrophobicContact CD1-CD1 4.03Å; L83-M132 HydrophobicContact CD1-CG 4.13Å
84E92.1Very high91.2Very high96 Ų9655.7 Ų55.745%0.44928%0.283SS..EExtended strand (participates in β ladder)trans-72.3-49.5175.8177.169.3-169.500110.8H82 R96 V131H82-E84 IonicContact CE1-OE2 3.89Å; H82-E84 PolarHBondContact CE1-OE2 2.7Å; E84-R96 PolarHBondContact O-NH2 3.48Å; E84-V131 HydrophobicContact CB-CB 4.41Å; E84-V131 HydrophobicContact CB-CG1 4.19Å; E84-V131 PolarHBondContact N-O 2.89Å
85E92.3Very high91.4Very high17 Ų1747.7 Ų47.78%0.07925%0.245CC..EExtended strand (participates in β ladder)trans-159.7159.2173.965-179.5126.600111.9K20 Y21 L83 I87 R96 V131K20-E85 WeakPolarHBondContact CE-OE1 3.29Å; K20-E85 IonicContact NZ-OE1 2.75Å; K20-E85 PolarHBondContact NZ-OE1 3.12Å; Y21-E85 WeakPolarHBondContact CE2-OE1 3.38Å; Y21-E85 PolarHBondContact OH-OE1 2.91Å; L83-E85 WeakPolarHBondContact CD1-O 3.41Å; E85-I87 HydrophobicContact CG-CD1 4.31Å; E85-I87 HydrophobicContact CG-CG1 4.19Å; E85-R96 HydrophobicContact CB-CG 4.42Å; E85-V131 HydrophobicContact CG-CB 3.97Å; E85-V131 HydrophobicContact CG-CG2 3.8Å; E85-V131 PolarHBondContact O-N 3.12Å
86C93.4Very high91.3Very high3 Ų351.2 Ų51.22%0.0225%0.249CC..EExtended strand (participates in β ladder)trans-114.5133.7167.9-1770000109.2F67 M97 W129 F130F67-C86 HydrophobicContact CD2-CB 3.56Å; F67-C86 HydrophobicContact CE2-CB 3.75Å; C86-M97 HydrophobicContact CB-CB 4.08Å; C86-M97 PolarHBondContact O-N 2.86Å; C86-W129 CarbonylContact C-O 3.51Å; C86-W129 VanDerWaalsContact CA-O 3.23Å; C86-W129 WeakPolarHBondContact CA-O 3.19Å; C86-F130 HydrophobicContact CB-CD1 4.49Å
87I92.6Very high91.1Very high23 Ų2344.8 Ų44.812%0.11822%0.218CC..EExtended strand (participates in β ladder)trans-119.4124.7-177.9-56.3167.4000108.7Y21 E85 A94 Q95 L128 W129 V131Y21-I87 HydrophobicContact CD2-CD1 4.24Å; Y21-I87 HydrophobicContact CE2-CD1 3.85Å; E85-I87 HydrophobicContact CG-CD1 4.31Å; E85-I87 HydrophobicContact CG-CG1 4.19Å; I87-A94 HydrophobicContact CG2-CB 3.85Å; I87-Q95 CarbonylContact C-O 3.42Å; I87-Q95 WeakPolarHBondContact CA-O 3.24Å; I87-L128 WeakPolarHBondContact O-CA 3.34Å; I87-W129 HydrophobicContact CB-CB 4.14Å; I87-W129 PolarHBondContact N-O 2.91Å; I87-W129 PolarHBondContact O-N 3.25Å; I87-V131 HydrophobicContact CD1-CG2 4.25Å
88L91.9Very high90.4Very high0 Ų047.4 Ų47.40%023%0.234CC..EExtended strand (participates in β ladder)trans-92.1119.1169.3178.250.7000109.2A94 Q95 M97 L105 L109 Y126 L128L88-A94 WeakPolarHBondContact O-CA 3.42Å; L88-Q95 HydrophobicContact CB-CG 4.08Å; L88-Q95 PolarHBondContact N-O 2.87Å; L88-Q95 PolarHBondContact O-N 3.05Å; L88-M97 HydrophobicContact CB-CG 3.76Å; L88-M97 HydrophobicContact CB-SD 3.85Å; L88-M97 HydrophobicContact CD2-SD 3.97Å; L88-L105 HydrophobicContact CD2-CB 3.56Å; L88-L105 HydrophobicContact CG-CB 4.36Å; L88-L109 HydrophobicContact CD1-CD1 3.68Å; L88-L109 HydrophobicContact CD2-CD1 3.81Å; L88-L109 HydrophobicContact CD2-CG 4.47Å; L88-L109 HydrophobicContact CG-CD1 4.4Å; L88-Y126 HydrophobicContact CD1-CD1 4.38Å; L88-L128 HydrophobicContact CB-CD2 3.94Å; L88-L128 HydrophobicContact CD1-CD2 3.9Å; L88-L128 HydrophobicContact CD1-CG 4.27Å; L88-L128 HydrophobicContact CG-CD2 4.45Å
89Q90.6Very high89.2Confident37 Ų3750.1 Ų50.117%0.17324%0.239CC..EExtended strand (participates in β ladder)trans-111.4131.6177.5-177.6-172.76.500110.4D91 L93 Y126 Y127Q89-D91 WeakPolarHBondContact CG-O 3.45Å; Q89-D91 PolarHBondContact NE2-O 3.04Å; Q89-L93 CarbonylContact C-O 3.44Å; Q89-L93 VanDerWaalsContact CA-O 3.26Å; Q89-L93 WeakPolarHBondContact CA-O 3.26Å; Q89-Y126 CarbonylContact O-C 3.59Å; Q89-Y126 WeakPolarHBondContact O-CA 3.42Å; Q89-Y127 PolarHBondContact N-O 2.85Å; Q89-Y127 PolarHBondContact O-N 3.39Å
90R90.1Very high87.7Confident65 Ų6552.2 Ų52.225%0.24526%0.264CS..EExtended strand (participates in β ladder)trans-122.2111.6164.7-176.4179.777.9-177.13.4108.6Q92 L93 L105 C124 A125 Y126R90-Q92 PolarHBondContact O-N 3.33Å; R90-Q92 VanDerWaalsContact O-N 3.13Å; R90-L93 PolarHBondContact N-O 3.39Å; R90-L93 WeakPolarHBondContact O-CB 3.23Å; R90-L93 PolarHBondContact O-N 2.83Å; R90-L105 HydrophobicContact CB-CD1 4.46Å; R90-L105 HydrophobicContact CB-CD2 4.38Å; R90-C124 HydrophobicContact CG-CB 4.05Å; R90-A125 WeakPolarHBondContact CA-O 3.12Å; R90-Y126 HydrophobicContact CB-CE1 4.35Å; R90-Y126 HydrophobicContact CB-CE2 4.49Å; R90-Y126 WeakPolarHBondContact CD-OH 3.35Å; R90-Y126 HydrophobicContact CG-CD2 4.11Å; R90-Y126 HydrophobicContact CG-CE1 4.29Å; R90-Y126 HydrophobicContact CG-CE2 3.65Å; R90-Y126 PolarHBondContact NH1-OH 2.93Å
91D86.4Confident86.4Confident72 Ų7253.5 Ų53.539%0.38527%0.273SS..THydrogen-bonded Turntrans52.8-113.6-174.3-53.4-45000111.8Q89 C124 A125Q89-D91 WeakPolarHBondContact CG-O 3.45Å; Q89-D91 PolarHBondContact NE2-O 3.04Å; D91-C124 PolarHBondContact OD2-SG 2.88Å; D91-A125 PolarHBondContact N-O 2.73Å; D91-A125 PolarHBondContact OD1-N 3.27Å
92Q81.1Confident85.2Confident172 Ų17258.3 Ų58.380%0.80431%0.307SS*.THydrogen-bonded Turntrans-93.3-3.2177.8-61.4-172.415.400113.8R90R90-Q92 PolarHBondContact O-N 3.33Å; R90-Q92 VanDerWaalsContact O-N 3.13Å
93L83.3Confident84.7Confident56 Ų5656.8 Ų56.829%0.29330%0.301SS..EExtended strand (participates in β ladder)trans-95.9132.9-177.1-59.4168.7000109M14 Q89 R90M14-L93 HydrophobicContact CB-CD2 4.37Å; M14-L93 HydrophobicContact CE-CB 3.73Å; M14-L93 HydrophobicContact CE-CD1 3.26Å; M14-L93 HydrophobicContact CE-CG 4.07Å; M14-L93 HydrophobicContact SD-CD1 3.88Å; Q89-L93 CarbonylContact C-O 3.44Å; Q89-L93 VanDerWaalsContact CA-O 3.26Å; Q89-L93 WeakPolarHBondContact CA-O 3.26Å; R90-L93 PolarHBondContact N-O 3.39Å; R90-L93 WeakPolarHBondContact O-CB 3.23Å; R90-L93 PolarHBondContact O-N 2.83Å
94A85.9Confident84.2Confident30 Ų3060 Ų6025%0.24832%0.323CS..EExtended strand (participates in β ladder)trans-131.4144179.500000110.1I87 L88I87-A94 HydrophobicContact CG2-CB 3.85Å; L88-A94 WeakPolarHBondContact O-CA 3.42Å
95Q87.2Confident83.9Confident18 Ų1855.8 Ų55.88%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-143.1147.7174.464.7174.911.300110.7I87 L88 S103 L105I87-Q95 CarbonylContact C-O 3.42Å; I87-Q95 WeakPolarHBondContact CA-O 3.24Å; L88-Q95 HydrophobicContact CB-CG 4.08Å; L88-Q95 PolarHBondContact N-O 2.87Å; L88-Q95 PolarHBondContact O-N 3.05Å; Q95-S103 PolarHBondContact NE2-OG 2.88Å; Q95-S103 PolarHBondContact OE1-OG 3.39Å; Q95-L105 HydrophobicContact CG-CD1 4.4Å
96R89.4Confident83.7Confident141 Ų14156 Ų5653%0.53230%0.304SS..EExtended strand (participates in β ladder)trans-71.9134.2172.2-170.2178-174.7-173.46.9109.7E84 E85E84-R96 PolarHBondContact O-NH2 3.48Å; E85-R96 HydrophobicContact CB-CG 4.42Å
97M87.1Confident83.5Confident9 Ų960.2 Ų60.24%0.04433%0.326CS..  trans-81.9130.1172.3-68.4-104.2-69.300109.6L64 F67 C86 L88 Y106 L128L64-M97 HydrophobicContact CD2-CE 4.46Å; F67-M97 HydrophobicContact CB-CE 4.42Å; F67-M97 HydrophobicContact CD1-CE 3.57Å; F67-M97 HydrophobicContact CD2-CB 4.33Å; F67-M97 HydrophobicContact CD2-CE 4.01Å; F67-M97 HydrophobicContact CE1-CE 3.73Å; F67-M97 HydrophobicContact CE2-CB 3.61Å; F67-M97 HydrophobicContact CE2-CE 4.16Å; F67-M97 HydrophobicContact CG-CE 3.72Å; F67-M97 HydrophobicContact CZ-CB 3.71Å; F67-M97 HydrophobicContact CZ-CE 4.02Å; C86-M97 HydrophobicContact CB-CB 4.08Å; C86-M97 PolarHBondContact O-N 2.86Å; L88-M97 HydrophobicContact CB-CG 3.76Å; L88-M97 HydrophobicContact CB-SD 3.85Å; L88-M97 HydrophobicContact CD2-SD 3.97Å; M97-Y106 HydrophobicContact CE-CD2 3.75Å; M97-Y106 HydrophobicContact CE-CE2 3.89Å; M97-Y106 HydrophobicContact SD-CD2 3.6Å; M97-Y106 VanDerWaalsContact SD-CD2 3.6Å; M97-Y106 HydrophobicContact SD-CE2 4.32Å; M97-Y106 HydrophobicContact SD-CG 4.46Å; M97-L128 HydrophobicContact CE-CD1 4.45Å; M97-L128 HydrophobicContact CE-CD2 3.67Å; M97-L128 HydrophobicContact CG-CD2 4.04Å; M97-L128 HydrophobicContact SD-CD2 3.89Å
98N79.6Confident83.4Confident86 Ų8661.3 Ų61.346%0.4633%0.331SS..  trans-121.6139.9170.1-65.3-31.9000108.2G100 S101N98-G100 PolarHBondContact O-N 2.91Å; N98-S101 WeakPolarHBondContact O-CB 3.34Å; N98-S101 PolarHBondContact O-N 2.99Å
99H70.1Confident83.3Confident136 Ų13661.3 Ų61.363%0.6333%0.331SS*.THydrogen-bonded Turntrans-59.8131.1175.4-172.1-78000109.8S101H99-S101 VanDerWaalsContact C-N 3.29Å; H99-S101 PolarHBondContact O-N 3.39Å
100G66Low83.3Confident57 Ų5761 Ų6159%0.58833%0.331SS*.THydrogen-bonded Turntrans75.611.6-17600000115.1N98 S102N98-G100 PolarHBondContact O-N 2.91Å; G100-S102 PolarHBondContact O-N 2.73Å
101S69.4Low83.3Confident31 Ų3161.6 Ų61.622%0.21734%0.337CS..  trans-58.5131.2173.2178.90000111.2N98 H99 S103 Y106N98-S101 WeakPolarHBondContact O-CB 3.34Å; N98-S101 PolarHBondContact O-N 2.99Å; H99-S101 VanDerWaalsContact C-N 3.29Å; H99-S101 PolarHBondContact O-N 3.39Å; S101-S103 PolarHBondContact O-N 3.01Å; S101-S103 WeakPolarHBondContact OG-CB 3.27Å; S101-S103 PolarHBondContact OG-N 3.04Å; S101-Y106 VanDerWaalsContact O-CD1 3.26Å; S101-Y106 WeakPolarHBondContact O-CD1 3.31Å
102S72.3Confident83.6Confident107 Ų10758.1 Ų58.175%0.74832%0.319SS*.  trans-86.117.2171.8-480000112.8G100G100-S102 PolarHBondContact O-N 2.73Å
103S83.7Confident84Confident10 Ų1051.2 Ų51.27%0.0729%0.289CS..  trans-59.1131.6177.1161.10000110.7Q95 S101 L105 Y106 L107Q95-S103 PolarHBondContact NE2-OG 2.88Å; Q95-S103 PolarHBondContact OE1-OG 3.39Å; S101-S103 PolarHBondContact O-N 3.01Å; S101-S103 WeakPolarHBondContact OG-CB 3.27Å; S101-S103 PolarHBondContact OG-N 3.04Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 2.77Å; S103-L105 PolarHBondContact OG-N 3.38Å; S103-Y106 PolarHBondContact O-N 3.1Å; S103-L107 PolarHBondContact O-N 3.03Å; S103-L107 VanDerWaalsContact O-N 3.13Å
104P84.3Confident84.2Confident93 Ų9355.4 Ų55.460%0.60431%0.311SS*.Hα-helixtrans-51.1-44.8175.2-27.534.6000113.5Y106 L107 E108P104-Y106 VanDerWaalsContact C-N 3.3Å; P104-Y106 PolarHBondContact O-N 3.27Å; P104-L107 PolarHBondContact O-N 2.62Å; P104-E108 WeakPolarHBondContact O-CG 3.45Å; P104-E108 PolarHBondContact O-N 2.85Å
105L85.1Confident84.5Confident9 Ų959.4 Ų59.45%0.04732%0.323CS..Hα-helixtrans-61.9-34.7179.2-62.8179.1000113.9M14 L88 R90 Q95 S103 L109 Y126M14-L105 HydrophobicContact CE-CD1 3.87Å; M14-L105 HydrophobicContact CE-CG 4.48Å; L88-L105 HydrophobicContact CD2-CB 3.56Å; L88-L105 HydrophobicContact CG-CB 4.36Å; R90-L105 HydrophobicContact CB-CD1 4.46Å; R90-L105 HydrophobicContact CB-CD2 4.38Å; Q95-L105 HydrophobicContact CG-CD1 4.4Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 2.77Å; S103-L105 PolarHBondContact OG-N 3.38Å; L105-L109 PolarHBondContact O-N 3.45Å; L105-Y126 HydrophobicContact CD2-CE1 3.94Å
106Y88.1Confident84.6Confident21 Ų2161 Ų618%0.08234%0.344CS..Hα-helixtrans-72.5-42178.2172.5-106000110.1L64 F67 W68 M97 S101 S103 P104 E108 L109 V110L64-Y106 HydrophobicContact CD2-CE2 3.97Å; F67-Y106 HydrophobicContact CD1-CE2 4.44Å; F67-Y106 HydrophobicContact CE1-CE2 4.16Å; W68-Y106 PolarHBondContact NE1-OH 2.75Å; M97-Y106 HydrophobicContact CE-CD2 3.75Å; M97-Y106 HydrophobicContact CE-CE2 3.89Å; M97-Y106 HydrophobicContact SD-CD2 3.6Å; M97-Y106 VanDerWaalsContact SD-CD2 3.6Å; M97-Y106 HydrophobicContact SD-CE2 4.32Å; M97-Y106 HydrophobicContact SD-CG 4.46Å; S101-Y106 VanDerWaalsContact O-CD1 3.26Å; S101-Y106 WeakPolarHBondContact O-CD1 3.31Å; S103-Y106 PolarHBondContact O-N 3.1Å; P104-Y106 VanDerWaalsContact C-N 3.3Å; P104-Y106 PolarHBondContact O-N 3.27Å; Y106-E108 VanDerWaalsContact C-N 3.31Å; Y106-E108 PolarHBondContact O-N 3.49Å; Y106-L109 PolarHBondContact O-N 3.35Å; Y106-V110 HydrophobicContact CD1-CG2 4.26Å; Y106-V110 HydrophobicContact CD2-CG2 4.44Å; Y106-V110 HydrophobicContact CE1-CG2 3.78Å; Y106-V110 HydrophobicContact CE2-CG2 4Å; Y106-V110 WeakPolarHBondContact O-CG2 3.3Å; Y106-V110 PolarHBondContact O-N 2.86Å
107L89.1Confident84.7Confident91 Ų9159.7 Ų59.748%0.47634%0.344SS..Hα-helixtrans-62-38.4176.3-64.6176.5000111.9S103 P104 L109 V110 E111S103-L107 PolarHBondContact O-N 3.03Å; S103-L107 VanDerWaalsContact O-N 3.13Å; P104-L107 PolarHBondContact O-N 2.62Å; L107-L109 VanDerWaalsContact C-N 3.35Å; L107-L109 PolarHBondContact O-N 2.9Å; L107-V110 PolarHBondContact O-N 3.3Å; L107-E111 VanDerWaalsContact O-CB 3.31Å; L107-E111 WeakPolarHBondContact O-CB 3.4Å; L107-E111 PolarHBondContact O-N 2.86Å
108E89.9Confident85Confident46 Ų4662 Ų6222%0.21536%0.355CS..Hα-helixtrans-57.7-44.8173.2-73.9169.1-176.500111.9P104 Y106 E111 T112 T119 F120 Y126P104-E108 WeakPolarHBondContact O-CG 3.45Å; P104-E108 PolarHBondContact O-N 2.85Å; Y106-E108 VanDerWaalsContact C-N 3.31Å; Y106-E108 PolarHBondContact O-N 3.49Å; E108-E111 PolarHBondContact O-N 2.96Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.21Å; E108-T112 PolarHBondContact O-OG1 2.85Å; E108-T119 PolarHBondContact O-OG1 3.36Å; E108-F120 HydrophobicContact CB-CB 4.43Å; E108-F120 HydrophobicContact CB-CD1 4.29Å; E108-Y126 PolarHBondContact OE2-OH 3.04Å
109L90.3Very high85.4Confident0 Ų059.8 Ų59.80%035%0.346CS..Hα-helixtrans-64.5-44.6176.3-67.7-177.6000112C54 V60 L64 L88 L105 Y106 L107 E111 T112 S113 F120 Y126 L128C54-L109 HydrophobicContact CB-CD2 4.13Å; V60-L109 HydrophobicContact CG1-CB 4.01Å; V60-L109 HydrophobicContact CG1-CD2 4.03Å; V60-L109 WeakPolarHBondContact CG1-O 3.32Å; V60-L109 HydrophobicContact CG2-CD2 4.05Å; L64-L109 HydrophobicContact CD1-CB 4.34Å; L64-L109 HydrophobicContact CD2-CB 4.38Å; L88-L109 HydrophobicContact CD1-CD1 3.68Å; L88-L109 HydrophobicContact CD2-CD1 3.81Å; L88-L109 HydrophobicContact CD2-CG 4.47Å; L88-L109 HydrophobicContact CG-CD1 4.4Å; L105-L109 PolarHBondContact O-N 3.45Å; Y106-L109 PolarHBondContact O-N 3.35Å; L107-L109 VanDerWaalsContact C-N 3.35Å; L107-L109 PolarHBondContact O-N 2.9Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 2.85Å; L109-T112 WeakPolarHBondContact O-CB 3.43Å; L109-T112 PolarHBondContact O-N 2.85Å; L109-S113 PolarHBondContact O-N 2.78Å; L109-F120 HydrophobicContact CD2-CE1 3.84Å; L109-F120 HydrophobicContact CD2-CZ 4.37Å; L109-Y126 HydrophobicContact CD2-CD1 4.32Å; L109-L128 HydrophobicContact CD1-CD1 3.96Å; L109-L128 HydrophobicContact CD1-CD2 4.3Å; L109-L128 HydrophobicContact CD1-CG 4.2Å
110V90.4Very high86.2Confident30 Ų3054.1 Ų54.118%0.18232%0.319CS..Hα-helixtrans-62.5-44178.4174.60000110.5L64 W68 Y106 L107 T112 S113 L114L64-V110 HydrophobicContact CD1-CG2 4.24Å; W68-V110 HydrophobicContact CZ2-CG2 4.34Å; Y106-V110 HydrophobicContact CD1-CG2 4.26Å; Y106-V110 HydrophobicContact CD2-CG2 4.44Å; Y106-V110 HydrophobicContact CE1-CG2 3.78Å; Y106-V110 HydrophobicContact CE2-CG2 4Å; Y106-V110 WeakPolarHBondContact O-CG2 3.3Å; Y106-V110 PolarHBondContact O-N 2.86Å; L107-V110 PolarHBondContact O-N 3.3Å; V110-T112 PolarHBondContact O-N 3.36Å; V110-S113 PolarHBondContact O-N 3.39Å; V110-L114 HydrophobicContact CG1-CD1 4Å; V110-L114 HydrophobicContact CG1-CG 4.43Å; V110-L114 WeakPolarHBondContact O-CG 3.42Å; V110-L114 PolarHBondContact O-N 3.39Å
111E91.1Very high87.1Confident78 Ų7855.5 Ų55.536%0.36431%0.313SS..Hα-helixtrans-62.9-42.3177.3-164.6-173.8173.400111.6L107 E108 L109 S113 L114 K115 T119L107-E111 VanDerWaalsContact O-CB 3.31Å; L107-E111 WeakPolarHBondContact O-CB 3.4Å; L107-E111 PolarHBondContact O-N 2.86Å; E108-E111 PolarHBondContact O-N 2.96Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 2.85Å; E111-S113 VanDerWaalsContact C-N 3.33Å; E111-S113 PolarHBondContact O-N 3Å; E111-L114 PolarHBondContact O-N 3.48Å; E111-K115 HydrophobicContact CG-CD 4Å; E111-K115 HydrophobicContact CG-CG 4.35Å; E111-K115 WeakPolarHBondContact O-CB 3.15Å; E111-K115 PolarHBondContact O-N 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.41Å; E111-K115 IonicContact OE1-NZ 2.63Å; E111-K115 PolarHBondContact OE1-NZ 3.38Å; E111-T119 HydrophobicContact CB-CG2 4.29Å; E111-T119 HydrophobicContact CG-CG2 3.95Å
112T91.4Very high87.6Confident0 Ų059.4 Ų59.40%034%0.337CS..Hα-helixtrans-57.1-45.8174.2-69.70000111.6P57 V60 E108 L109 V110 L114 G116 E117 I118 T119 F120P57-T112 HydrophobicContact CB-CG2 4.37Å; V60-T112 HydrophobicContact CB-CG2 4Å; V60-T112 HydrophobicContact CG1-CG2 4.05Å; V60-T112 HydrophobicContact CG2-CG2 3.87Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.21Å; E108-T112 PolarHBondContact O-OG1 2.85Å; L109-T112 WeakPolarHBondContact O-CB 3.43Å; L109-T112 PolarHBondContact O-N 2.85Å; V110-T112 PolarHBondContact O-N 3.36Å; T112-L114 PolarHBondContact O-N 2.9Å; T112-G116 PolarHBondContact O-N 2.8Å; T112-E117 VanDerWaalsContact CA-O 3.27Å; T112-E117 WeakPolarHBondContact CA-O 3.29Å; T112-E117 WeakPolarHBondContact CG2-O 3.33Å; T112-I118 HydrophobicContact CG2-CD1 3.71Å; T112-T119 PolarHBondContact OG1-N 2.8Å; T112-T119 PolarHBondContact OG1-OG1 3.47Å; T112-F120 HydrophobicContact CG2-CE1 4.26Å; T112-F120 WeakPolarHBondContact OG1-CE1 3.5Å
113S90.1Very high88.2Confident26 Ų2659.7 Ų59.718%0.18234%0.339CS..Hα-helixtrans-66-36177.6179.90000112.9L109 V110 E111L109-S113 PolarHBondContact O-N 2.78Å; V110-S113 PolarHBondContact O-N 3.39Å; E111-S113 VanDerWaalsContact C-N 3.33Å; E111-S113 PolarHBondContact O-N 3Å
114L88.7Confident88.3Confident145 Ų14560.6 Ų60.676%0.75935%0.345SS*.Hα-helixtrans-76.4-38.8-179.1-71.2174.2000113V110 E111 T112V110-L114 HydrophobicContact CG1-CD1 4Å; V110-L114 HydrophobicContact CG1-CG 4.43Å; V110-L114 WeakPolarHBondContact O-CG 3.42Å; V110-L114 PolarHBondContact O-N 3.39Å; E111-L114 PolarHBondContact O-N 3.48Å; T112-L114 PolarHBondContact O-N 2.9Å
115K91.1Very high88.3Confident114 Ų11457.4 Ų57.450%0.49633%0.326SS..Hα-helixtrans-82.2-22.4-179.8-69.2-176.1170.4176.10113.1E111 E117 T119E111-K115 HydrophobicContact CG-CD 4Å; E111-K115 HydrophobicContact CG-CG 4.35Å; E111-K115 WeakPolarHBondContact O-CB 3.15Å; E111-K115 PolarHBondContact O-N 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.41Å; E111-K115 IonicContact OE1-NZ 2.63Å; E111-K115 PolarHBondContact OE1-NZ 3.38Å; K115-E117 VanDerWaalsContact C-N 3.28Å; K115-E117 HydrophobicContact CB-CG 3.87Å; K115-E117 HydrophobicContact CD-CG 4.45Å; K115-T119 HydrophobicContact CD-CG2 3.95Å
116G90.4Very high88.6Confident51 Ų5157.2 Ų57.253%0.52632%0.324SS..THydrogen-bonded Turntrans71.224.5-173.300000112.9P57 T112P57-G116 VanDerWaalsContact CG-C 3.43Å; P57-G116 VanDerWaalsContact CG-O 3.31Å; P57-G116 WeakPolarHBondContact CG-O 3.49Å; T112-G116 PolarHBondContact O-N 2.8Å
117E91.6Very high88.8Confident114 Ų11458.8 Ų58.853%0.53333%0.33SS..SBendtrans-143.6148.8176.468.2-175.7175.600109.9T112 K115 T119T112-E117 VanDerWaalsContact CA-O 3.27Å; T112-E117 WeakPolarHBondContact CA-O 3.29Å; T112-E117 WeakPolarHBondContact CG2-O 3.33Å; K115-E117 VanDerWaalsContact C-N 3.28Å; K115-E117 HydrophobicContact CB-CG 3.87Å; K115-E117 HydrophobicContact CD-CG 4.45Å; E117-T119 PolarHBondContact O-N 3.48Å
118I91.7Very high89Confident56 Ų5654.4 Ų54.429%0.28731%0.308SS..  trans-67.5121.8178.2-62.6-57.3000109.8P57 T112 F120P57-I118 HydrophobicContact CG-CD1 4.4Å; T112-I118 HydrophobicContact CG2-CD1 3.71Å; I118-F120 HydrophobicContact CD1-CE1 4.3Å; I118-F120 HydrophobicContact CD1-CE2 4.46Å; I118-F120 HydrophobicContact CD1-CZ 3.85Å; I118-F120 HydrophobicContact CG2-CD1 4.23Å; I118-F120 HydrophobicContact CG2-CD2 3.73Å; I118-F120 HydrophobicContact CG2-CE1 4.13Å; I118-F120 HydrophobicContact CG2-CE2 3.64Å; I118-F120 HydrophobicContact CG2-CG 4.05Å; I118-F120 HydrophobicContact CG2-CZ 3.85Å; I118-F120 WeakPolarHBondContact CG2-O 3.22Å
119T88.5Confident89.2Confident41 Ų4153.8 Ų53.825%0.25230%0.303SS..  trans-102.7-0.9-178.161.60000114.6E108 E111 T112 K115 E117E108-T119 PolarHBondContact O-OG1 3.36Å; E111-T119 HydrophobicContact CB-CG2 4.29Å; E111-T119 HydrophobicContact CG-CG2 3.95Å; T112-T119 PolarHBondContact OG1-N 2.8Å; T112-T119 PolarHBondContact OG1-OG1 3.47Å; K115-T119 HydrophobicContact CD-CG2 3.95Å; E117-T119 PolarHBondContact O-N 3.48Å
120F87.3Confident89.4Confident16 Ų1653.8 Ų53.87%0.0730%0.303CS..SBendtrans-110.5169.5177.248.5-96000111.7C54 V60 E108 L109 T112 I118 P122 Y126C54-F120 HydrophobicContact CB-CZ 4.37Å; C54-F120 VanDerWaalsContact O-CZ 3.31Å; C54-F120 WeakPolarHBondContact O-CZ 2.89Å; V60-F120 HydrophobicContact CG2-CE1 4.47Å; V60-F120 HydrophobicContact CG2-CZ 4.43Å; E108-F120 HydrophobicContact CB-CB 4.43Å; E108-F120 HydrophobicContact CB-CD1 4.29Å; L109-F120 HydrophobicContact CD2-CE1 3.84Å; L109-F120 HydrophobicContact CD2-CZ 4.37Å; T112-F120 HydrophobicContact CG2-CE1 4.26Å; T112-F120 WeakPolarHBondContact OG1-CE1 3.5Å; I118-F120 HydrophobicContact CD1-CE1 4.3Å; I118-F120 HydrophobicContact CD1-CE2 4.46Å; I118-F120 HydrophobicContact CD1-CZ 3.85Å; I118-F120 HydrophobicContact CG2-CD1 4.23Å; I118-F120 HydrophobicContact CG2-CD2 3.73Å; I118-F120 HydrophobicContact CG2-CE1 4.13Å; I118-F120 HydrophobicContact CG2-CE2 3.64Å; I118-F120 HydrophobicContact CG2-CG 4.05Å; I118-F120 HydrophobicContact CG2-CZ 3.85Å; I118-F120 WeakPolarHBondContact CG2-O 3.22Å; F120-P122 VanDerWaalsContact O-CD 3.29Å; F120-P122 WeakPolarHBondContact O-CD 3.22Å; F120-P122 VanDerWaalsContact O-N 3.12Å; F120-Y126 HydrophobicContact CB-CE1 4.31Å; F120-Y126 HydrophobicContact CB-CE2 3.83Å; F120-Y126 WeakPolarHBondContact CB-OH 3.38Å; F120-Y126 HydrophobicContact CD1-CE1 4.41Å; F120-Y126 HydrophobicContact CD2-CD1 4.4Å; F120-Y126 AromaticContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CE1 4.35Å; F120-Y126 AromaticContact CD2-CE2 3.32Å; F120-Y126 HydrophobicContact CD2-CE2 3.32Å; F120-Y126 AromaticContact CD2-CG 3.93Å; F120-Y126 HydrophobicContact CD2-CG 3.93Å; F120-Y126 AromaticContact CD2-CZ 3.85Å; F120-Y126 HydrophobicContact CE2-CD1 4.46Å; F120-Y126 AromaticContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CE2 4.03Å; F120-Y126 AromaticContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CG-CD1 4.46Å; F120-Y126 HydrophobicContact CG-CD2 4.07Å; F120-Y126 HydrophobicContact CG-CE1 4.11Å; F120-Y126 AromaticContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CG 4.43Å; F120-Y126 AromaticContact CG-CZ 3.71Å; F120-Y126 HydrophobicContact CZ-CD2 4.4Å; F120-Y126 HydrophobicContact CZ-CG 4.22Å
121D85.8Confident89.7Confident86 Ų8652.3 Ų52.346%0.4630%0.295SS..  trans-58.4115.9179.7-174.9-12.5000110.6C123 C124D121-C123 PolarHBondContact O-N 2.87Å; D121-C123 VanDerWaalsContact OD1-CB 3.24Å; D121-C123 WeakPolarHBondContact OD1-CB 3.24Å; D121-C123 PolarHBondContact OD1-N 3.4Å; D121-C123 PolarHBondContact OD1-SG 3.07Å; D121-C124 HydrophobicContact CB-CB 4.35Å; D121-C124 WeakPolarHBondContact O-CB 3.49Å; D121-C124 PolarHBondContact O-N 2.91Å; D121-C124 VanDerWaalsContact O-N 3.07Å
122P79.7Confident89.9Confident113 Ų11349.4 Ų49.473%0.73428%0.281SS*.THydrogen-bonded Turntrans-67.8-14.1-178.828.5-35.6000113.2F120F120-P122 VanDerWaalsContact O-CD 3.29Å; F120-P122 WeakPolarHBondContact O-CD 3.22Å; F120-P122 VanDerWaalsContact O-N 3.12Å
123C83.8Confident90Very high114 Ų11451.9 Ų51.977%0.7730%0.295SS*.THydrogen-bonded Turntrans-78.4-23.1174.7-55.10000112.1D121D121-C123 PolarHBondContact O-N 2.87Å; D121-C123 VanDerWaalsContact OD1-CB 3.24Å; D121-C123 WeakPolarHBondContact OD1-CB 3.24Å; D121-C123 PolarHBondContact OD1-N 3.4Å; D121-C123 PolarHBondContact OD1-SG 3.07Å
124C85.4Confident90.3Very high29 Ų2952.4 Ų52.420%0.19629%0.294CS..SBendtrans-78.5140176.9-76.70000111R90 D91 D121 Y126R90-C124 HydrophobicContact CG-CB 4.05Å; D91-C124 PolarHBondContact OD2-SG 2.88Å; D121-C124 HydrophobicContact CB-CB 4.35Å; D121-C124 WeakPolarHBondContact O-CB 3.49Å; D121-C124 PolarHBondContact O-N 2.91Å; D121-C124 VanDerWaalsContact O-N 3.07Å; C124-Y126 HydrophobicContact CB-CD2 3.95Å; C124-Y126 HydrophobicContact CB-CE2 3.62Å; C124-Y126 PolarHBondContact O-N 3.46Å
125A85.3Confident90.6Very high25 Ų2546.4 Ų46.421%0.20726%0.263CS..  trans-89.7105.7176.100000110.4R90 D91 Y127R90-A125 WeakPolarHBondContact CA-O 3.12Å; D91-A125 PolarHBondContact N-O 2.73Å; D91-A125 PolarHBondContact OD1-N 3.27Å; A125-Y127 HydrophobicContact CB-CD2 4.39Å; A125-Y127 HydrophobicContact CB-CE2 3.65Å
126Y90.9Very high90.7Very high5 Ų544.5 Ų44.52%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-94130.3175.2-78.6-110.4000111.6C54 L88 Q89 R90 L105 E108 L109 F120 C124C54-Y126 PolarHBondContact N-O 3.25Å; L88-Y126 HydrophobicContact CD1-CD1 4.38Å; Q89-Y126 CarbonylContact O-C 3.59Å; Q89-Y126 WeakPolarHBondContact O-CA 3.42Å; R90-Y126 HydrophobicContact CB-CE1 4.35Å; R90-Y126 HydrophobicContact CB-CE2 4.49Å; R90-Y126 WeakPolarHBondContact CD-OH 3.35Å; R90-Y126 HydrophobicContact CG-CD2 4.11Å; R90-Y126 HydrophobicContact CG-CE1 4.29Å; R90-Y126 HydrophobicContact CG-CE2 3.65Å; R90-Y126 PolarHBondContact NH1-OH 2.93Å; L105-Y126 HydrophobicContact CD2-CE1 3.94Å; E108-Y126 PolarHBondContact OE2-OH 3.04Å; L109-Y126 HydrophobicContact CD2-CD1 4.32Å; F120-Y126 HydrophobicContact CB-CE1 4.31Å; F120-Y126 HydrophobicContact CB-CE2 3.83Å; F120-Y126 WeakPolarHBondContact CB-OH 3.38Å; F120-Y126 HydrophobicContact CD1-CE1 4.41Å; F120-Y126 HydrophobicContact CD2-CD1 4.4Å; F120-Y126 AromaticContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CE1 4.35Å; F120-Y126 AromaticContact CD2-CE2 3.32Å; F120-Y126 HydrophobicContact CD2-CE2 3.32Å; F120-Y126 AromaticContact CD2-CG 3.93Å; F120-Y126 HydrophobicContact CD2-CG 3.93Å; F120-Y126 AromaticContact CD2-CZ 3.85Å; F120-Y126 HydrophobicContact CE2-CD1 4.46Å; F120-Y126 AromaticContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CE2 4.03Å; F120-Y126 AromaticContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CG-CD1 4.46Å; F120-Y126 HydrophobicContact CG-CD2 4.07Å; F120-Y126 HydrophobicContact CG-CE1 4.11Å; F120-Y126 AromaticContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CG 4.43Å; F120-Y126 AromaticContact CG-CZ 3.71Å; F120-Y126 HydrophobicContact CZ-CD2 4.4Å; F120-Y126 HydrophobicContact CZ-CG 4.22Å; C124-Y126 HydrophobicContact CB-CD2 3.95Å; C124-Y126 HydrophobicContact CB-CE2 3.62Å; C124-Y126 PolarHBondContact O-N 3.46Å
127Y91.6Very high90.8Very high54 Ų5442.7 Ų42.721%0.21224%0.24CC..EExtended strand (participates in β ladder)trans-136.5142.4175.3-61.2-88.9000112K51 I52 R53 Q89 A125K51-Y127 HydrophobicContact CD-CD1 4.12Å; K51-Y127 VanDerWaalsContact CE-CG 3.43Å; K51-Y127 HydrophobicContact CG-CD1 3.84Å; K51-Y127 HydrophobicContact CG-CG 4.37Å; I52-Y127 CarbonylContact O-C 3.57Å; I52-Y127 VanDerWaalsContact O-CA 3.23Å; I52-Y127 WeakPolarHBondContact O-CA 3.16Å; R53-Y127 HydrophobicContact CB-CD1 3.83Å; R53-Y127 HydrophobicContact CB-CE1 3.58Å; R53-Y127 HydrophobicContact CG-CD1 4.08Å; R53-Y127 HydrophobicContact CG-CE1 3.58Å; Q89-Y127 PolarHBondContact N-O 2.85Å; Q89-Y127 PolarHBondContact O-N 3.39Å; A125-Y127 HydrophobicContact CB-CD2 4.39Å; A125-Y127 HydrophobicContact CB-CE2 3.65Å
128L93.4Very high91Very high0 Ų039 Ų390%023%0.233CC..EExtended strand (participates in β ladder)trans-104.5130.1162.3-77.9171.2000109.6K51 I52 A63 I87 L88 M97 L109 F130K51-L128 WeakPolarHBondContact CA-O 3.42Å; I52-L128 PolarHBondContact N-O 2.78Å; I52-L128 PolarHBondContact O-N 3.31Å; A63-L128 HydrophobicContact CB-CB 4.36Å; A63-L128 HydrophobicContact CB-CD1 3.46Å; A63-L128 VanDerWaalsContact CB-CD1 3.46Å; A63-L128 HydrophobicContact CB-CG 4.49Å; I87-L128 WeakPolarHBondContact O-CA 3.34Å; L88-L128 HydrophobicContact CB-CD2 3.94Å; L88-L128 HydrophobicContact CD1-CD2 3.9Å; L88-L128 HydrophobicContact CD1-CG 4.27Å; L88-L128 HydrophobicContact CG-CD2 4.45Å; M97-L128 HydrophobicContact CE-CD1 4.45Å; M97-L128 HydrophobicContact CE-CD2 3.67Å; M97-L128 HydrophobicContact CG-CD2 4.04Å; M97-L128 HydrophobicContact SD-CD2 3.89Å; L109-L128 HydrophobicContact CD1-CD1 3.96Å; L109-L128 HydrophobicContact CD1-CD2 4.3Å; L109-L128 HydrophobicContact CD1-CG 4.2Å; L128-F130 HydrophobicContact CB-CE2 3.91Å; L128-F130 HydrophobicContact CB-CZ 4.24Å
129W94.6Very high91.1Very high32 Ų3238.4 Ų38.412%0.12123%0.23CC..EExtended strand (participates in β ladder)trans-112.7123.9177.9-60.441.8000108.1L23 V49 K50 K51 C86 I87L23-W129 HydrophobicContact CD1-CH2 4.18Å; L23-W129 HydrophobicContact CD1-CZ3 4.32Å; L23-W129 HydrophobicContact CD2-CZ3 4.14Å; L23-W129 HydrophobicContact CG-CZ3 4.43Å; V49-W129 HydrophobicContact CG1-CB 4.25Å; V49-W129 HydrophobicContact CG1-CD2 4.19Å; V49-W129 HydrophobicContact CG1-CE3 3.58Å; V49-W129 HydrophobicContact CG1-CZ3 4.3Å; K50-W129 CarbonylContact O-C 3.38Å; K50-W129 WeakPolarHBondContact O-CA 3.49Å; K51-W129 HydrophobicContact CD-CZ2 4.1Å; C86-W129 CarbonylContact C-O 3.51Å; C86-W129 VanDerWaalsContact CA-O 3.23Å; C86-W129 WeakPolarHBondContact CA-O 3.19Å; I87-W129 HydrophobicContact CB-CB 4.14Å; I87-W129 PolarHBondContact N-O 2.91Å; I87-W129 PolarHBondContact O-N 3.25Å
130F94.9Very high91.5Very high0 Ų036.5 Ų36.50%022%0.218CC..EExtended strand (participates in β ladder)trans-104.5110.6173.6-58-94.4000107.9V49 K50 I52 A63 E66 F67 L70 L83 C86 L128 M132V49-F130 WeakPolarHBondContact CA-O 3.49Å; K50-F130 HydrophobicContact CB-CB 4.22Å; K50-F130 HydrophobicContact CB-CD2 4.46Å; K50-F130 PolarHBondContact N-O 2.73Å; K50-F130 PolarHBondContact O-N 3.32Å; I52-F130 HydrophobicContact CD1-CD2 4.37Å; I52-F130 HydrophobicContact CD1-CE2 3.75Å; I52-F130 HydrophobicContact CG1-CE2 4.21Å; A63-F130 HydrophobicContact CB-CZ 4.47Å; A63-F130 WeakPolarHBondContact O-CZ 3.44Å; E66-F130 HydrophobicContact CB-CE1 4.11Å; E66-F130 HydrophobicContact CB-CZ 4.09Å; E66-F130 HydrophobicContact CG-CD1 4.12Å; E66-F130 HydrophobicContact CG-CE1 3.85Å; E66-F130 HydrophobicContact CG-CZ 4.13Å; F67-F130 HydrophobicContact CB-CE1 3.89Å; F67-F130 HydrophobicContact CB-CZ 4.32Å; L70-F130 HydrophobicContact CD1-CD1 4.44Å; L83-F130 HydrophobicContact CD1-CB 3.97Å; L83-F130 HydrophobicContact CD1-CD1 4.03Å; C86-F130 HydrophobicContact CB-CD1 4.49Å; L128-F130 HydrophobicContact CB-CE2 3.91Å; L128-F130 HydrophobicContact CB-CZ 4.24Å; F130-M132 HydrophobicContact CB-CE 4.27Å; F130-M132 HydrophobicContact CB-CG 4.34Å; F130-M132 HydrophobicContact CB-SD 4.27Å
131V95.6Very high91.9Very high0 Ų036.1 Ų36.10%022%0.217CC..EExtended strand (participates in β ladder)trans-90.5118.7176.5-1740000108Y21 V47 A48 V49 E84 E85 I87Y21-V131 HydrophobicContact CD1-CG1 4.31Å; Y21-V131 HydrophobicContact CD2-CG2 4.26Å; Y21-V131 HydrophobicContact CE1-CG1 3.52Å; Y21-V131 HydrophobicContact CE1-CG2 4.31Å; Y21-V131 HydrophobicContact CE2-CG1 4.41Å; Y21-V131 HydrophobicContact CE2-CG2 3.73Å; V47-V131 HydrophobicContact CB-CG1 4.07Å; V47-V131 HydrophobicContact CG1-CG1 4.3Å; V47-V131 HydrophobicContact CG2-CG1 4.03Å; A48-V131 WeakPolarHBondContact O-CA 3.07Å; V49-V131 HydrophobicContact CG2-CG2 4.45Å; E84-V131 HydrophobicContact CB-CB 4.41Å; E84-V131 HydrophobicContact CB-CG1 4.19Å; E84-V131 PolarHBondContact N-O 2.89Å; E85-V131 HydrophobicContact CG-CB 3.97Å; E85-V131 HydrophobicContact CG-CG2 3.8Å; E85-V131 PolarHBondContact O-N 3.12Å; I87-V131 HydrophobicContact CD1-CG2 4.25Å
132M95.6Very high92.4Very high16 Ų1634.3 Ų34.38%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-134.5167.7-170.1-61.7176.7-66.700111.7V47 A48 K50 L70 I81 H82 L83 F130 F134V47-M132 WeakPolarHBondContact CB-O 3.48Å; A48-M132 PolarHBondContact N-O 2.83Å; A48-M132 PolarHBondContact O-N 2.79Å; K50-M132 HydrophobicContact CB-CE 3.67Å; L70-M132 HydrophobicContact CD1-SD 4.48Å; I81-M132 HydrophobicContact CG1-CB 4.04Å; I81-M132 HydrophobicContact CG1-CG 4.46Å; I81-M132 HydrophobicContact CG1-SD 4.17Å; I81-M132 HydrophobicContact CG2-SD 4.38Å; H82-M132 WeakPolarHBondContact O-CA 3.44Å; H82-M132 WeakPolarHBondContact O-CB 3.29Å; L83-M132 HydrophobicContact CD1-CG 4.13Å; F130-M132 HydrophobicContact CB-CE 4.27Å; F130-M132 HydrophobicContact CB-CG 4.34Å; F130-M132 HydrophobicContact CB-SD 4.27Å; M132-F134 PolarHBondContact O-N 2.97Å
133D94.6Very high93.1Very high53 Ų5329.9 Ų29.928%0.28318%0.183SC..EExtended strand (participates in β ladder)trans-51.7138.2167.8-72-10.5000110.9I81 H82 K200I81-D133 HydrophobicContact CD1-CB 3.92Å; H82-D133 WeakPolarHBondContact CB-OD2 3.46Å; H82-D133 IonicContact ND1-OD1 3.52Å; H82-D133 PolarHBondContact O-N 2.99Å; D133-K200 IonicContact OD2-NZ 3.49Å; D133-K200 PolarHBondContact OD2-NZ 3.39Å
134F95.4Very high93.7Very high37 Ų3724.6 Ų24.616%0.16215%0.147CC..  trans-89.4119.7171.6-175.1-95.9000110.9V27 E37 R46 A48 M132 D136V27-F134 HydrophobicContact CG1-CE2 4.25Å; E37-F134 HydrophobicContact CB-CD2 4.33Å; E37-F134 HydrophobicContact CB-CE2 3.74Å; E37-F134 HydrophobicContact CB-CZ 4.41Å; E37-F134 HydrophobicContact CG-CD2 4.14Å; E37-F134 HydrophobicContact CG-CE2 3.75Å; E37-F134 HydrophobicContact CG-CZ 4.15Å; R46-F134 HydrophobicContact CB-CB 4.32Å; R46-F134 HydrophobicContact CB-CG 4.48Å; A48-F134 HydrophobicContact CB-CD2 4.25Å; M132-F134 PolarHBondContact O-N 2.97Å; F134-D136 HydrophobicContact CD1-CB 4.21Å; F134-D136 HydrophobicContact CE1-CB 3.78Å
135C95.1Very high94.2Very high18 Ų1825.6 Ų25.612%0.12215%0.15CC..  trans-97.2112.8174.5-69.10000110.2L184 I185C135-L184 HydrophobicContact CB-CB 3.65Å; C135-L184 HydrophobicContact CB-CD1 4.23Å; C135-I185 CarbonylContact C-O 3.52Å; C135-I185 WeakPolarHBondContact CB-O 3.43Å
136D93.4Very high94.6Very high74 Ų7428.5 Ų28.540%0.39617%0.169SC..THydrogen-bonded Turntrans-87.1-5.8-171.761.8-22000115.1F134 I185 S186 Q187F134-D136 HydrophobicContact CD1-CB 4.21Å; F134-D136 HydrophobicContact CE1-CB 3.78Å; D136-I185 PolarHBondContact N-O 3.19Å; D136-S186 WeakPolarHBondContact OD1-CA 3.47Å; D136-Q187 PolarHBondContact OD1-N 3.27Å
137G93.4Very high94.7Very high14 Ų1432.8 Ų32.814%0.14419%0.185CC..THydrogen-bonded Turntrans-94.73.3179.700000115.5I185G137-I185 WeakPolarHBondContact CA-O 3.3Å; G137-I185 PolarHBondContact N-O 2.8Å
138G94.3Very high94.6Very high37 Ų3739.3 Ų39.338%0.38122%0.215SC..  trans73.7-160.5-174.500000113I185G138-I185 PolarHBondContact O-N 3.47Å
139D95.6Very high94.3Very high43 Ų4343.3 Ų43.323%0.2324%0.241CC..BIsolated β-bridgetrans-85.6162.5174.263.673.6000112.7N141 A142 Y143 I183 L184D139-N141 VanDerWaalsContact C-N 3.29Å; D139-N141 PolarHBondContact O-N 2.98Å; D139-N141 WeakPolarHBondContact OD1-CA 3.4Å; D139-N141 VanDerWaalsContact OD1-CB 3.24Å; D139-N141 WeakPolarHBondContact OD1-CB 3.34Å; D139-N141 PolarHBondContact OD1-N 3.26Å; D139-A142 WeakPolarHBondContact OD1-CB 3.44Å; D139-A142 PolarHBondContact OD1-N 2.93Å; D139-Y143 WeakPolarHBondContact O-CB 3.41Å; D139-Y143 PolarHBondContact O-N 3.08Å; D139-I183 CarbonylContact C-O 3.6Å; D139-I183 WeakPolarHBondContact CA-O 3.28Å; D139-L184 HydrophobicContact CB-CD2 4.4Å
140M96.5Very high94.1Very high0 Ų043.8 Ų43.80%025%0.249CC..Hα-helixtrans-64.7-32.7-177.4177.7-179.3171.400111.9L144 F157 L161 P180 I183 I185 I259 M263M140-L144 HydrophobicContact CE-CD1 3.57Å; M140-L144 HydrophobicContact CG-CD1 3.71Å; M140-L144 HydrophobicContact CG-CG 4.2Å; M140-L144 VanDerWaalsContact O-CB 3.31Å; M140-L144 WeakPolarHBondContact O-CB 3.32Å; M140-L144 VanDerWaalsContact O-CG 3.3Å; M140-L144 WeakPolarHBondContact O-CG 3.31Å; M140-L144 PolarHBondContact O-N 3.37Å; M140-F157 HydrophobicContact CE-CD2 4.2Å; M140-F157 HydrophobicContact CG-CD2 4.48Å; M140-F157 HydrophobicContact CG-CE2 4.49Å; M140-L161 HydrophobicContact CE-CD1 4.21Å; M140-L161 HydrophobicContact SD-CD1 4.21Å; M140-P180 HydrophobicContact CB-CB 4.44Å; M140-P180 WeakPolarHBondContact CB-O 3.17Å; M140-P180 PolarHBondContact N-O 3.49Å; M140-I183 HydrophobicContact CB-CB 3.83Å; M140-I183 HydrophobicContact CB-CG2 3.88Å; M140-I183 WeakPolarHBondContact CB-O 3.33Å; M140-I183 HydrophobicContact CG-CG2 4.43Å; M140-I183 PolarHBondContact N-O 3.3Å; M140-I183 HydrophobicContact SD-CB 4.08Å; M140-I183 HydrophobicContact SD-CD1 3.69Å; M140-I183 HydrophobicContact SD-CG1 4.5Å; M140-I183 HydrophobicContact SD-CG2 3.82Å; M140-I185 HydrophobicContact CB-CD1 4.26Å; M140-I259 HydrophobicContact CE-CG2 3.74Å; M140-I259 HydrophobicContact SD-CG2 4.36Å; M140-M263 HydrophobicContact CE-CE 4.29Å; M140-M263 HydrophobicContact CE-CG 4.42Å; M140-M263 HydrophobicContact CE-SD 3.41Å; M140-M263 WeakPolarHBondContact CE-SD 3.5Å
141N95.8Very high93.7Very high9 Ų950.7 Ų50.75%0.04828%0.275CS..Hα-helixtrans-62-59.9178.5-169.860.9000110.5D139 Y143 L144 L145 P180 E277 L278 L279D139-N141 VanDerWaalsContact C-N 3.29Å; D139-N141 PolarHBondContact O-N 2.98Å; D139-N141 WeakPolarHBondContact OD1-CA 3.4Å; D139-N141 VanDerWaalsContact OD1-CB 3.24Å; D139-N141 WeakPolarHBondContact OD1-CB 3.34Å; D139-N141 PolarHBondContact OD1-N 3.26Å; N141-Y143 VanDerWaalsContact C-N 3.29Å; N141-Y143 PolarHBondContact O-N 3.23Å; N141-L144 PolarHBondContact O-N 3.02Å; N141-L145 WeakPolarHBondContact O-CB 3.43Å; N141-L145 VanDerWaalsContact O-CG 3.29Å; N141-L145 WeakPolarHBondContact O-CG 3.44Å; N141-L145 PolarHBondContact O-N 2.86Å; N141-P180 HydrophobicContact CB-CB 3.76Å; N141-E277 PolarHBondContact ND2-O 3.4Å; N141-L278 WeakPolarHBondContact ND2-CD2 3.4Å; N141-L278 WeakPolarHBondContact OD1-CA 3.32Å; N141-L279 PolarHBondContact OD1-N 2.97Å
142A95.3Very high93.4Very high48 Ų4857.5 Ų57.540%0.39731%0.305SS..Hα-helixtrans-61.2-39.617800000111.4D139 L144 S146D139-A142 WeakPolarHBondContact OD1-CB 3.44Å; D139-A142 PolarHBondContact OD1-N 2.93Å; A142-L144 PolarHBondContact O-N 2.9Å; A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.38Å; A142-S146 PolarHBondContact O-N 3Å; A142-S146 PolarHBondContact O-OG 2.96Å
143Y95.9Very high93.2Very high19 Ų1958.3 Ų58.38%0.07531%0.311CS..Hα-helixtrans-60.9-46179-176-86.9000112.2D139 N141 S146 R147 T153 F157 I185 Q187 P197D139-Y143 WeakPolarHBondContact O-CB 3.41Å; D139-Y143 PolarHBondContact O-N 3.08Å; N141-Y143 VanDerWaalsContact C-N 3.29Å; N141-Y143 PolarHBondContact O-N 3.23Å; Y143-S146 PolarHBondContact O-OG 3.01Å; Y143-S146 VanDerWaalsContact O-OG 3.07Å; Y143-R147 VanDerWaalsContact CD2-CZ 3.46Å; Y143-R147 VanDerWaalsContact CE2-NH2 3.26Å; Y143-R147 WeakPolarHBondContact O-CD 3.19Å; Y143-R147 WeakPolarHBondContact O-CG 3.43Å; Y143-R147 PolarHBondContact O-NH1 2.89Å; Y143-T153 HydrophobicContact CE1-CG2 4.49Å; Y143-F157 AromaticContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CZ 4.02Å; Y143-F157 HydrophobicContact CE1-CE2 4.13Å; Y143-F157 AromaticContact CE1-CZ 3.83Å; Y143-F157 HydrophobicContact CE1-CZ 3.83Å; Y143-I185 HydrophobicContact CD1-CG1 4.38Å; Y143-I185 HydrophobicContact CD2-CB 4.08Å; Y143-I185 HydrophobicContact CD2-CG1 4.04Å; Y143-I185 HydrophobicContact CD2-CG2 3.72Å; Y143-I185 HydrophobicContact CE2-CG2 3.77Å; Y143-I185 HydrophobicContact CG-CB 4.39Å; Y143-I185 HydrophobicContact CG-CG1 3.82Å; Y143-I185 HydrophobicContact CG-CG2 4.26Å; Y143-Q187 HydrophobicContact CE2-CG 4.46Å; Y143-P197 HydrophobicContact CE1-CG 4.33Å; Y143-P197 HydrophobicContact CE2-CB 4.47Å; Y143-P197 WeakPolarHBondContact OH-CG 3.21Å
144L95.4Very high93.1Very high4 Ų456.2 Ų56.22%0.02130%0.299CS..Hα-helixtrans-73.2-45.7179.8-72.7174.4000111.5M140 N141 A142 S146 R147 F157 M263 R266 L279M140-L144 HydrophobicContact CE-CD1 3.57Å; M140-L144 HydrophobicContact CG-CD1 3.71Å; M140-L144 HydrophobicContact CG-CG 4.2Å; M140-L144 VanDerWaalsContact O-CB 3.31Å; M140-L144 WeakPolarHBondContact O-CB 3.32Å; M140-L144 VanDerWaalsContact O-CG 3.3Å; M140-L144 WeakPolarHBondContact O-CG 3.31Å; M140-L144 PolarHBondContact O-N 3.37Å; N141-L144 PolarHBondContact O-N 3.02Å; A142-L144 PolarHBondContact O-N 2.9Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.39Å; L144-R147 PolarHBondContact O-N 3.32Å; L144-R147 VanDerWaalsContact O-N 3.12Å; L144-F157 HydrophobicContact CD2-CD2 4.25Å; L144-F157 HydrophobicContact CD2-CE2 4.07Å; L144-F157 HydrophobicContact CG-CE2 4.42Å; L144-M263 HydrophobicContact CD1-CB 4.31Å; L144-M263 HydrophobicContact CD1-CG 3.78Å; L144-M263 HydrophobicContact CD1-SD 3.89Å; L144-R266 VanDerWaalsContact O-CZ 3.25Å; L144-R266 PolarHBondContact O-NH1 3.26Å; L144-R266 PolarHBondContact O-NH2 2.9Å; L144-L279 HydrophobicContact CB-CD1 3.89Å; L144-L279 HydrophobicContact CD1-CD1 3.51Å; L144-L279 HydrophobicContact CG-CD1 4.35Å
145L95.2Very high93Very high49 Ų4955.8 Ų55.826%0.25730%0.3SS..Hα-helixtrans-66.4-31.8-176.8-65.4179.4000113.1N141 R147 T268 E277 L279N141-L145 WeakPolarHBondContact O-CB 3.43Å; N141-L145 VanDerWaalsContact O-CG 3.29Å; N141-L145 WeakPolarHBondContact O-CG 3.44Å; N141-L145 PolarHBondContact O-N 2.86Å; L145-R147 PolarHBondContact O-N 3.45Å; L145-T268 HydrophobicContact CD2-CG2 3.57Å; L145-E277 HydrophobicContact CD1-CB 4.11Å; L145-E277 HydrophobicContact CD1-CG 3.94Å; L145-E277 WeakPolarHBondContact CD1-O 3.45Å; L145-L279 HydrophobicContact CD2-CD2 4.25Å; L145-L279 HydrophobicContact CD2-CG 4.21Å
146S94.6Very high92.9Very high86 Ų8656.1 Ų56.160%0.60130%0.302SS*.THydrogen-bonded Turntrans-72.1-5.4174.557.70000114.4A142 Y143 L144A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.38Å; A142-S146 PolarHBondContact O-N 3Å; A142-S146 PolarHBondContact O-OG 2.96Å; Y143-S146 PolarHBondContact O-OG 3.01Å; Y143-S146 VanDerWaalsContact O-OG 3.07Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.39Å
147R93.1Very high93.1Very high95 Ų9552.6 Ų52.636%0.35828%0.284SS..SBendtrans-130.5152.9-172-67.5174.3176.678.1-4.8112.1Y143 L144 L145 R266Y143-R147 VanDerWaalsContact CD2-CZ 3.46Å; Y143-R147 VanDerWaalsContact CE2-NH2 3.26Å; Y143-R147 WeakPolarHBondContact O-CD 3.19Å; Y143-R147 WeakPolarHBondContact O-CG 3.43Å; Y143-R147 PolarHBondContact O-NH1 2.89Å; L144-R147 PolarHBondContact O-N 3.32Å; L144-R147 VanDerWaalsContact O-N 3.12Å; L145-R147 PolarHBondContact O-N 3.45Å; R147-R266 PolarHBondContact O-NH2 3.09Å; R147-R266 VanDerWaalsContact O-NH2 3.1Å
148K90.2Very high93.2Very high191 Ų19152.1 Ų52.183%0.8328%0.278SS*.  trans-63.1146.4172.4-67.9-174.5-179.9178.60110.6S150K148-S150 PolarHBondContact O-N 3.02Å
149P86.9Confident93.4Very high85 Ų8553 Ų5355%0.55227%0.274SS*.  trans-56.5131.8174.6-23.734.6000111.4R266P149-R266 HydrophobicContact CB-CG 4.26Å; P149-R266 HydrophobicContact CG-CG 3.62Å
150S89.1Confident93.5Very high42 Ų4252.2 Ų52.229%0.29427%0.268SS..  trans-130.8114.1-178.5166.40000108.3K148 K152 T153 N154K148-S150 PolarHBondContact O-N 3.02Å; S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.18Å; S150-T153 WeakPolarHBondContact CB-OG1 3.17Å; S150-T153 PolarHBondContact O-N 3.38Å; S150-T153 WeakPolarHBondContact OG-CB 3.39Å; S150-T153 PolarHBondContact OG-N 3.02Å; S150-T153 VanDerWaalsContact OG-N 3.16Å; S150-T153 PolarHBondContact OG-OG1 2.82Å; S150-N154 WeakPolarHBondContact O-CB 3.45Å; S150-N154 PolarHBondContact O-N 3.26Å; S150-N154 PolarHBondContact O-OD1 3.48Å
151R87.4Confident93.6Very high145 Ų14552.3 Ų52.355%0.54727%0.269SS..Hα-helixtrans-58.7-43.5177.6-83.3-174.6-98165.3-5111.6T153 N154 T155 K311R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 3.21Å; R151-N154 PolarHBondContact O-N 3.06Å; R151-T155 PolarHBondContact O-N 3.46Å; R151-T155 PolarHBondContact O-OG1 3.15Å; R151-T155 VanDerWaalsContact O-OG1 3.11Å; R151-K311 VanDerWaalsContact CD-O 3.23Å; R151-K311 WeakPolarHBondContact CD-O 3.41Å; R151-K311 PolarHBondContact NE-O 3.02Å; R151-K311 PolarHBondContact NH1-O 3.4Å; R151-K311 VanDerWaalsContact NH1-O 3.09Å; R151-K311 PolarHBondContact NH2-O 3.27Å
152K88.6Confident93.7Very high142 Ų14251.9 Ų51.962%0.61727%0.267SS*.Hα-helixtrans-56.6-46.7175.9-172.8-179.1179.5-167.70112.1S150 S156 E196S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.18Å; K152-S156 WeakPolarHBondContact O-CB 3.01Å; K152-S156 PolarHBondContact O-N 3.07Å; K152-E196 WeakPolarHBondContact CE-OE1 3.49Å; K152-E196 IonicContact NZ-OE1 2.63Å; K152-E196 PolarHBondContact NZ-OE1 2.96Å
153T91.6Very high93.8Very high34 Ų3451 Ų5121%0.20926%0.257CS..Hα-helixtrans-66.7-43.6178.2-550000111.2Y143 S150 R151 S156 F157Y143-T153 HydrophobicContact CE1-CG2 4.49Å; S150-T153 WeakPolarHBondContact CB-OG1 3.17Å; S150-T153 PolarHBondContact O-N 3.38Å; S150-T153 WeakPolarHBondContact OG-CB 3.39Å; S150-T153 PolarHBondContact OG-N 3.02Å; S150-T153 VanDerWaalsContact OG-N 3.16Å; S150-T153 PolarHBondContact OG-OG1 2.82Å; R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 3.21Å; T153-S156 PolarHBondContact O-N 2.99Å; T153-F157 HydrophobicContact CG2-CD1 4.25Å; T153-F157 HydrophobicContact CG2-CD2 4.12Å; T153-F157 HydrophobicContact CG2-CE1 4.04Å; T153-F157 HydrophobicContact CG2-CE2 3.87Å; T153-F157 HydrophobicContact CG2-CG 4.31Å; T153-F157 HydrophobicContact CG2-CZ 3.84Å; T153-F157 WeakPolarHBondContact O-CB 2.74Å; T153-F157 WeakPolarHBondContact O-CG 3.49Å; T153-F157 PolarHBondContact O-N 2.85Å
154N92.6Very high93.9Very high9 Ų950 Ų505%0.04825%0.253CS..Hα-helixtrans-60.5-48.1177.9-69.54.8000111.2S150 R151 S156 F157 M158 M263S150-N154 WeakPolarHBondContact O-CB 3.45Å; S150-N154 PolarHBondContact O-N 3.26Å; S150-N154 PolarHBondContact O-OD1 3.48Å; R151-N154 PolarHBondContact O-N 3.06Å; N154-S156 PolarHBondContact O-N 3.37Å; N154-F157 PolarHBondContact O-N 2.92Å; N154-M158 VanDerWaalsContact O-CG 3.29Å; N154-M158 WeakPolarHBondContact O-CG 3.31Å; N154-M158 PolarHBondContact O-N 3.33Å; N154-M263 HydrophobicContact CB-CE 4.21Å; N154-M263 HydrophobicContact CB-CG 4.31Å; N154-M263 HydrophobicContact CB-SD 4.21Å; N154-M263 PolarHBondContact ND2-O 3.24Å; N154-M263 WeakPolarHBondContact OD1-CG 3.35Å
155T92.5Very high94.1Very high28 Ų2850 Ų5017%0.17225%0.253CS..Hα-helixtrans-61.7-44.3177.2-57.90000111.1R151 F157 M158 L159 A346 E349R151-T155 PolarHBondContact O-N 3.46Å; R151-T155 PolarHBondContact O-OG1 3.15Å; R151-T155 VanDerWaalsContact O-OG1 3.11Å; T155-F157 PolarHBondContact O-N 3.46Å; T155-M158 PolarHBondContact O-N 3.22Å; T155-L159 HydrophobicContact CG2-CD1 4.27Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.14Å; T155-L159 VanDerWaalsContact O-N 3.07Å; T155-A346 HydrophobicContact CG2-CB 3.86Å; T155-E349 PolarHBondContact OG1-OE2 3.1Å
156S94.1Very high94.2Very high25 Ų2548.2 Ų48.218%0.17525%0.246CC..Hα-helixtrans-60.2-44.9175.4-178.70000112.1K152 T153 N154 L159 Q160K152-S156 WeakPolarHBondContact O-CB 3.01Å; K152-S156 PolarHBondContact O-N 3.07Å; T153-S156 PolarHBondContact O-N 2.99Å; N154-S156 PolarHBondContact O-N 3.37Å; S156-L159 PolarHBondContact O-N 2.87Å; S156-Q160 WeakPolarHBondContact O-CB 3.35Å; S156-Q160 VanDerWaalsContact O-CG 3.29Å; S156-Q160 WeakPolarHBondContact O-CG 3.17Å; S156-Q160 PolarHBondContact O-N 3.38Å; S156-Q160 PolarHBondContact OG-NE2 3.22Å
157F96.5Very high94.3Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-67.1-39.4178.6-75.94.1000112.5M140 Y143 L144 T153 N154 T155 L159 Q160 L161 I185 P197 L199 M263M140-F157 HydrophobicContact CE-CD2 4.2Å; M140-F157 HydrophobicContact CG-CD2 4.48Å; M140-F157 HydrophobicContact CG-CE2 4.49Å; Y143-F157 AromaticContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CZ 4.02Å; Y143-F157 HydrophobicContact CE1-CE2 4.13Å; Y143-F157 AromaticContact CE1-CZ 3.83Å; Y143-F157 HydrophobicContact CE1-CZ 3.83Å; L144-F157 HydrophobicContact CD2-CD2 4.25Å; L144-F157 HydrophobicContact CD2-CE2 4.07Å; L144-F157 HydrophobicContact CG-CE2 4.42Å; T153-F157 HydrophobicContact CG2-CD1 4.25Å; T153-F157 HydrophobicContact CG2-CD2 4.12Å; T153-F157 HydrophobicContact CG2-CE1 4.04Å; T153-F157 HydrophobicContact CG2-CE2 3.87Å; T153-F157 HydrophobicContact CG2-CG 4.31Å; T153-F157 HydrophobicContact CG2-CZ 3.84Å; T153-F157 WeakPolarHBondContact O-CB 2.74Å; T153-F157 WeakPolarHBondContact O-CG 3.49Å; T153-F157 PolarHBondContact O-N 2.85Å; N154-F157 PolarHBondContact O-N 2.92Å; T155-F157 PolarHBondContact O-N 3.46Å; F157-L159 PolarHBondContact O-N 2.88Å; F157-Q160 PolarHBondContact O-N 2.77Å; F157-L161 WeakPolarHBondContact O-CB 3.09Å; F157-L161 WeakPolarHBondContact O-CG 3.41Å; F157-L161 PolarHBondContact O-N 2.75Å; F157-I185 HydrophobicContact CE1-CD1 4.38Å; F157-I185 HydrophobicContact CE2-CD1 3.97Å; F157-I185 HydrophobicContact CZ-CD1 3.67Å; F157-P197 HydrophobicContact CE1-CB 4.15Å; F157-P197 HydrophobicContact CE1-CG 3.72Å; F157-P197 HydrophobicContact CZ-CB 4.23Å; F157-P197 HydrophobicContact CZ-CG 3.89Å; F157-L199 HydrophobicContact CB-CD2 3.73Å; F157-L199 HydrophobicContact CD1-CD2 3.8Å; F157-L199 HydrophobicContact CD2-CD2 4.43Å; F157-L199 HydrophobicContact CE1-CD2 4.46Å; F157-L199 HydrophobicContact CG-CD2 3.76Å; F157-L199 WeakPolarHBondContact O-CD2 3.44Å; F157-M263 HydrophobicContact CB-CE 4.39Å; F157-M263 HydrophobicContact CB-SD 4.1Å; F157-M263 HydrophobicContact CD2-SD 4.25Å
158M96.7Very high94.4Very high4 Ų440.8 Ų40.82%0.0221%0.205CC..Hα-helixtrans-60.8-44.9174.2-69.6179.2-164.200111.8N154 T155 L161 G162 F260 M263 V264 M317 L342N154-M158 VanDerWaalsContact O-CG 3.29Å; N154-M158 WeakPolarHBondContact O-CG 3.31Å; N154-M158 PolarHBondContact O-N 3.33Å; T155-M158 PolarHBondContact O-N 3.22Å; M158-L161 PolarHBondContact O-N 2.88Å; M158-G162 PolarHBondContact O-N 3.11Å; M158-F260 HydrophobicContact CB-CE1 4.05Å; M158-F260 HydrophobicContact CB-CE2 4.16Å; M158-F260 HydrophobicContact CB-CZ 3.85Å; M158-F260 HydrophobicContact CE-CB 4.28Å; M158-F260 HydrophobicContact CE-CG 4.47Å; M158-F260 HydrophobicContact CG-CD1 3.76Å; M158-F260 HydrophobicContact CG-CD2 4.08Å; M158-F260 HydrophobicContact CG-CE1 3.78Å; M158-F260 HydrophobicContact CG-CE2 4.1Å; M158-F260 HydrophobicContact CG-CG 3.91Å; M158-F260 HydrophobicContact CG-CZ 3.95Å; M158-F260 HydrophobicContact SD-CD2 4.27Å; M158-F260 HydrophobicContact SD-CG 4.32Å; M158-M263 HydrophobicContact CE-CE 3.72Å; M158-M263 HydrophobicContact CG-CE 3.57Å; M158-V264 HydrophobicContact CE-CG2 3.11Å; M158-M317 HydrophobicContact SD-CE 3.46Å; M158-M317 WeakPolarHBondContact SD-CE 3.36Å; M158-M317 HydrophobicContact SD-CG 4.4Å; M158-M317 HydrophobicContact SD-SD 3.66Å; M158-M317 VanDerWaalsContact SD-SD 3.66Å; M158-L342 HydrophobicContact CB-CD2 4.09Å; M158-L342 WeakPolarHBondContact O-CD1 3.43Å
159L97.1Very high94.6Very high56 Ų5632.3 Ų32.329%0.29317%0.168SC..Hα-helixtrans-61.2-47177.5-71.2167.3000111.6T155 S156 F157 L161 G162 S163 L342 V343 A346T155-L159 HydrophobicContact CG2-CD1 4.27Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.14Å; T155-L159 VanDerWaalsContact O-N 3.07Å; S156-L159 PolarHBondContact O-N 2.87Å; F157-L159 PolarHBondContact O-N 2.88Å; L159-L161 PolarHBondContact O-N 2.88Å; L159-G162 PolarHBondContact O-N 2.88Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.39Å; L159-L342 HydrophobicContact CD2-CB 3.92Å; L159-V343 HydrophobicContact CD2-CB 4.48Å; L159-V343 HydrophobicContact CD2-CG2 3.94Å; L159-A346 HydrophobicContact CD1-CB 3.88Å; L159-A346 HydrophobicContact CD2-CB 4.12Å; L159-A346 HydrophobicContact CG-CB 4.38Å
160Q97.9Very high94.9Very high26 Ų2638.3 Ų38.312%0.12118%0.18CC..Hα-helixtrans-62.8-40.9178.4-72.2-179.366.600112.2N79 S156 F157 A164 P197 L199N79-Q160 HydrophobicContact CB-CB 4.48Å; N79-Q160 WeakPolarHBondContact ND2-CG 3.4Å; N79-Q160 PolarHBondContact ND2-OE1 2.82Å; S156-Q160 WeakPolarHBondContact O-CB 3.35Å; S156-Q160 VanDerWaalsContact O-CG 3.29Å; S156-Q160 WeakPolarHBondContact O-CG 3.17Å; S156-Q160 PolarHBondContact O-N 3.38Å; S156-Q160 PolarHBondContact OG-NE2 3.22Å; F157-Q160 PolarHBondContact O-N 2.77Å; Q160-A164 WeakPolarHBondContact O-CB 3.26Å; Q160-A164 PolarHBondContact O-N 3.11Å; Q160-P197 PolarHBondContact NE2-O 2.92Å; Q160-L199 HydrophobicContact CB-CD1 3.83Å; Q160-L199 HydrophobicContact CB-CD2 3.79Å; Q160-L199 HydrophobicContact CB-CG 3.61Å; Q160-L199 HydrophobicContact CG-CG 4.45Å
161L98.4Very high95Very high2 Ų238.1 Ų38.11%0.0118%0.176CC..Hα-helixtrans-69.2-41.6176.4-75.6167.4000112.5M140 F157 M158 L159 S163 A164 L165 I183 L199 V201 L256 I259 F260M140-L161 HydrophobicContact CE-CD1 4.21Å; M140-L161 HydrophobicContact SD-CD1 4.21Å; F157-L161 WeakPolarHBondContact O-CB 3.09Å; F157-L161 WeakPolarHBondContact O-CG 3.41Å; F157-L161 PolarHBondContact O-N 2.75Å; M158-L161 PolarHBondContact O-N 2.88Å; L159-L161 PolarHBondContact O-N 2.88Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.98Å; L161-A164 PolarHBondContact O-N 3.5Å; L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 PolarHBondContact O-N 2.84Å; L161-I183 HydrophobicContact CD1-CD1 4.14Å; L161-I183 HydrophobicContact CD2-CD1 3.58Å; L161-I183 HydrophobicContact CD2-CG1 3.96Å; L161-I183 HydrophobicContact CD2-CG2 4.18Å; L161-L199 HydrophobicContact CD1-CD2 4.26Å; L161-L199 HydrophobicContact CD2-CD1 3.76Å; L161-L199 HydrophobicContact CD2-CD2 4.29Å; L161-L199 HydrophobicContact CG-CD1 3.95Å; L161-L199 HydrophobicContact CG-CD2 3.77Å; L161-V201 HydrophobicContact CD2-CG2 3.98Å; L161-L256 HydrophobicContact CB-CD1 4.49Å; L161-L256 HydrophobicContact CB-CD2 4.14Å; L161-L256 HydrophobicContact CD1-CD2 4.32Å; L161-L256 HydrophobicContact CD2-CD2 4.27Å; L161-L256 HydrophobicContact CG-CD2 4.47Å; L161-I259 HydrophobicContact CD1-CG2 4.34Å; L161-F260 HydrophobicContact CB-CE1 4.03Å; L161-F260 HydrophobicContact CB-CZ 4.27Å; L161-F260 HydrophobicContact CD1-CE1 3.82Å
162G98.3Very high95.2Very high0 Ų033.3 Ų33.30%016%0.159CC..Hα-helixtrans-58.8-44.9174.400000111.6M158 L159 L165 A166M158-G162 PolarHBondContact O-N 3.11Å; L159-G162 PolarHBondContact O-N 2.88Å; G162-L165 PolarHBondContact O-N 3.4Å; G162-A166 WeakPolarHBondContact O-CB 3.44Å; G162-A166 PolarHBondContact O-N 2.93Å
163S98.3Very high95.3Very high28 Ų2826.5 Ų26.520%0.19613%0.13CC..Hα-helixtrans-67.1-43.9177.6-161.50000112.7H77 L159 L161 L165 A166 F167 E339H77-S163 PolarHBondContact NE2-OG 3.49Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.39Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.98Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.47Å; S163-A166 PolarHBondContact O-N 3.4Å; S163-F167 WeakPolarHBondContact O-CB 3.29Å; S163-F167 PolarHBondContact O-N 2.94Å; S163-E339 VanDerWaalsContact CA-OE1 3.28Å; S163-E339 WeakPolarHBondContact CA-OE1 3.43Å; S163-E339 VanDerWaalsContact CB-OE1 3.26Å; S163-E339 WeakPolarHBondContact CB-OE1 3.36Å; S163-E339 PolarHBondContact OG-OE1 3.31Å
164A98.2Very high95.4Very high0 Ų024.9 Ų24.90%012%0.12CC..Hα-helixtrans-57.4-45.3174.400000112.1N79 V80 Q160 L161 F167 L168 V201N79-A164 HydrophobicContact CB-CB 3.77Å; N79-A164 WeakPolarHBondContact O-CB 3.45Å; V80-A164 HydrophobicContact CG2-CB 4.12Å; Q160-A164 WeakPolarHBondContact O-CB 3.26Å; Q160-A164 PolarHBondContact O-N 3.11Å; L161-A164 PolarHBondContact O-N 3.5Å; A164-F167 WeakPolarHBondContact O-CB 3.28Å; A164-F167 PolarHBondContact O-N 3.08Å; A164-L168 WeakPolarHBondContact O-CG 3.47Å; A164-L168 PolarHBondContact O-N 3.3Å; A164-V201 HydrophobicContact CB-CG2 3.71Å
165L98Very high95.4Very high4 Ų424.5 Ų24.52%0.02112%0.118CC..Hα-helixtrans-69.6-42.4-178.1-17161.1000112.1L161 G162 S163 F167 L168 H169 L178 D252 I253 L256 A335L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 PolarHBondContact O-N 2.84Å; G162-L165 PolarHBondContact O-N 3.4Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.47Å; L165-F167 VanDerWaalsContact C-N 3.25Å; L165-F167 PolarHBondContact O-N 3.25Å; L165-L168 PolarHBondContact O-N 2.99Å; L165-H169 VanDerWaalsContact CD1-NE2 3.31Å; L165-H169 WeakPolarHBondContact CD1-NE2 3.47Å; L165-H169 WeakPolarHBondContact O-CB 3.34Å; L165-H169 PolarHBondContact O-N 2.92Å; L165-L178 HydrophobicContact CD1-CD1 4.04Å; L165-D252 HydrophobicContact CD1-CB 3.8Å; L165-D252 HydrophobicContact CD2-CB 4.05Å; L165-I253 HydrophobicContact CD2-CD1 3.59Å; L165-I253 HydrophobicContact CD2-CG1 4.45Å; L165-L256 HydrophobicContact CB-CD1 4.03Å; L165-L256 HydrophobicContact CD2-CD1 3.41Å; L165-L256 VanDerWaalsContact CD2-CD1 3.41Å; L165-L256 HydrophobicContact CD2-CG 4.07Å; L165-L256 HydrophobicContact CG-CD1 4.32Å; L165-A335 HydrophobicContact CB-CB 4.45Å; L165-A335 HydrophobicContact CD2-CB 4.27Å; L165-A335 HydrophobicContact CG-CB 3.92Å
166A97.3Very high95.4Very high11 Ų1124 Ų249%0.09111%0.113CC..Hα-helixtrans-57.8-4217400000111.2G162 S163 R170 A335 E339G162-A166 WeakPolarHBondContact O-CB 3.44Å; G162-A166 PolarHBondContact O-N 2.93Å; S163-A166 PolarHBondContact O-N 3.4Å; A166-R170 VanDerWaalsContact O-CB 3.24Å; A166-R170 WeakPolarHBondContact O-CB 3.29Å; A166-R170 PolarHBondContact O-N 3.36Å; A166-A335 HydrophobicContact CB-CB 4.38Å; A166-E339 HydrophobicContact CB-CB 4.09Å; A166-E339 WeakPolarHBondContact CB-OE2 3.31Å
167F97.1Very high95.2Very high24 Ų2423.5 Ų23.511%0.10511%0.108CC..Hα-helixtrans-61.8-48.6174.6176.6-93.1000112.7I73 S75 H77 V80 S163 A164 L165 R170 N171I73-F167 HydrophobicContact CG2-CE1 3.83Å; I73-F167 HydrophobicContact CG2-CZ 3.73Å; S75-F167 WeakPolarHBondContact O-CZ 3.39Å; H77-F167 HydrophobicContact CB-CD1 3.66Å; H77-F167 HydrophobicContact CB-CD2 3.92Å; H77-F167 HydrophobicContact CB-CE1 3.74Å; H77-F167 HydrophobicContact CB-CE2 3.99Å; H77-F167 HydrophobicContact CB-CG 3.75Å; H77-F167 HydrophobicContact CB-CZ 3.91Å; H77-F167 AromaticContact CD2-CD2 3.6Å; H77-F167 AromaticContact CD2-CG 3.58Å; H77-F167 AromaticContact CG-CD1 3.97Å; H77-F167 AromaticContact CG-CD2 3.97Å; H77-F167 AromaticContact CG-CG 3.67Å; V80-F167 HydrophobicContact CG2-CD1 3.91Å; V80-F167 HydrophobicContact CG2-CE1 4.45Å; S163-F167 WeakPolarHBondContact O-CB 3.29Å; S163-F167 PolarHBondContact O-N 2.94Å; A164-F167 WeakPolarHBondContact O-CB 3.28Å; A164-F167 PolarHBondContact O-N 3.08Å; L165-F167 VanDerWaalsContact C-N 3.25Å; L165-F167 PolarHBondContact O-N 3.25Å; F167-R170 PolarHBondContact O-N 2.79Å; F167-N171 WeakPolarHBondContact CE2-ND2 3.38Å; F167-N171 VanDerWaalsContact CZ-ND2 3.31Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.43Å; F167-N171 PolarHBondContact O-N 2.77Å; F167-N171 VanDerWaalsContact O-N 3.11Å; F167-N171 PolarHBondContact O-ND2 3.45Å
168L95.5Very high95.2Very high1 Ų123.8 Ų23.81%0.00511%0.11CC..Hα-helixtrans-61.3-48.9179.1-72.1177.8000111.9I73 V80 A164 L165 R170 N171 Q172 I173 V201 F204I73-L168 HydrophobicContact CD1-CD2 4.37Å; V80-L168 HydrophobicContact CG1-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CG 4.13Å; A164-L168 WeakPolarHBondContact O-CG 3.47Å; A164-L168 PolarHBondContact O-N 3.3Å; L165-L168 PolarHBondContact O-N 2.99Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 3.46Å; L168-N171 CarbonylContact O-C 3.51Å; L168-N171 WeakPolarHBondContact O-CA 3.33Å; L168-N171 PolarHBondContact O-N 2.8Å; L168-Q172 PolarHBondContact O-N 2.86Å; L168-I173 CarbonylContact C-O 3.25Å; L168-I173 HydrophobicContact CB-CB 4.45Å; L168-I173 HydrophobicContact CD2-CB 4.4Å; L168-I173 HydrophobicContact CD2-CD1 4.32Å; L168-I173 HydrophobicContact CD2-CG2 4.3Å; L168-I173 PolarHBondContact O-N 3.4Å; L168-V201 HydrophobicContact CD1-CG1 4.19Å; L168-F204 HydrophobicContact CD1-CE1 4.02Å; L168-F204 HydrophobicContact CD1-CZ 4.19Å; L168-F204 HydrophobicContact CD2-CE1 3.62Å; L168-F204 HydrophobicContact CD2-CZ 3.93Å; L168-F204 HydrophobicContact CG-CE1 4.49Å
169H94.6Very high95.1Very high12 Ų1225.3 Ų25.36%0.05612%0.116CC..Hα-helixtrans-64.5-35.6-179.6-75.4-167000112L165 N171 Q172 I173 V223 A249 D252 A335L165-H169 VanDerWaalsContact CD1-NE2 3.31Å; L165-H169 WeakPolarHBondContact CD1-NE2 3.47Å; L165-H169 WeakPolarHBondContact O-CB 3.34Å; L165-H169 PolarHBondContact O-N 2.92Å; H169-N171 VanDerWaalsContact C-N 3.31Å; H169-N171 PolarHBondContact O-N 2.93Å; H169-Q172 PolarHBondContact O-N 2.94Å; H169-Q172 VanDerWaalsContact O-N 3.09Å; H169-Q172 PolarHBondContact O-NE2 3.03Å; H169-I173 PolarHBondContact CD2-O 3.41Å; H169-V223 HydrophobicContact CB-CG2 3.86Å; H169-A249 PolarHBondContact CE1-O 3.02Å; H169-A249 VanDerWaalsContact CE1-O 3.28Å; H169-D252 IonicContact CD2-OD2 3.57Å; H169-D252 IonicContact CE1-OD2 3.69Å; H169-D252 IonicContact NE2-OD2 2.65Å; H169-D252 PolarHBondContact NE2-OD2 3.01Å; H169-A335 HydrophobicContact CB-CB 4.13Å; H169-A335 WeakPolarHBondContact ND1-CB 3.48Å
170R93Very high95Very high211 Ų21122.7 Ų22.780%0.79610%0.103SC*.Hα-helixtrans-62.1-37.8172.1-179.7178.7176.4-175.9-1.3112.3A166 F167 L168 Q172A166-R170 VanDerWaalsContact O-CB 3.24Å; A166-R170 WeakPolarHBondContact O-CB 3.29Å; A166-R170 PolarHBondContact O-N 3.36Å; F167-R170 PolarHBondContact O-N 2.79Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 3.46Å; R170-Q172 PolarHBondContact O-N 3.43Å
171N91.1Very high94.8Very high38 Ų3823.5 Ų23.520%0.20311%0.107CC..THydrogen-bonded Turntrans-81.713.8175.3-72.8-85.6000113.2F167 L168 H169 I173F167-N171 WeakPolarHBondContact CE2-ND2 3.38Å; F167-N171 VanDerWaalsContact CZ-ND2 3.31Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.43Å; F167-N171 PolarHBondContact O-N 2.77Å; F167-N171 VanDerWaalsContact O-N 3.11Å; F167-N171 PolarHBondContact O-ND2 3.45Å; L168-N171 CarbonylContact O-C 3.51Å; L168-N171 WeakPolarHBondContact O-CA 3.33Å; L168-N171 PolarHBondContact O-N 2.8Å; H169-N171 VanDerWaalsContact C-N 3.31Å; H169-N171 PolarHBondContact O-N 2.93Å; N171-I173 VanDerWaalsContact C-N 3.27Å; N171-I173 HydrophobicContact CB-CD1 4.21Å; N171-I173 PolarHBondContact O-N 3.44Å
172Q90.8Very high94.7Very high44 Ų4424 Ų2421%0.20611%0.11CC..THydrogen-bonded Turntrans62.129.1179.8-54.6-56.7-60.800114.9L168 H169 R170 C210 A221 S222 V223L168-Q172 PolarHBondContact O-N 2.86Å; H169-Q172 PolarHBondContact O-N 2.94Å; H169-Q172 VanDerWaalsContact O-N 3.09Å; H169-Q172 PolarHBondContact O-NE2 3.03Å; R170-Q172 PolarHBondContact O-N 3.43Å; Q172-C210 HydrophobicContact CB-CB 4.11Å; Q172-C210 WeakPolarHBondContact CB-O 3.37Å; Q172-C210 PolarHBondContact O-N 3.15Å; Q172-A221 PolarHBondContact OE1-O 2.96Å; Q172-S222 VanDerWaalsContact OE1-CA 3.24Å; Q172-V223 VanDerWaalsContact C-CG1 3.5Å; Q172-V223 VanDerWaalsContact CA-CG1 3.42Å; Q172-V223 HydrophobicContact CB-CG1 4.16Å
173I91.5Very high94.6Very high0 Ų024 Ų240%011%0.11CC..EExtended strand (participates in β ladder)trans-108.9122.9178.7-59.7165.8000109.1I73 L168 H169 N171 F204 K208 V209I73-I173 HydrophobicContact CD1-CD1 3.93Å; I73-I173 HydrophobicContact CG1-CD1 3.48Å; I73-I173 VanDerWaalsContact CG1-CD1 3.48Å; L168-I173 CarbonylContact C-O 3.25Å; L168-I173 HydrophobicContact CB-CB 4.45Å; L168-I173 HydrophobicContact CD2-CB 4.4Å; L168-I173 HydrophobicContact CD2-CD1 4.32Å; L168-I173 HydrophobicContact CD2-CG2 4.3Å; L168-I173 PolarHBondContact O-N 3.4Å; H169-I173 PolarHBondContact CD2-O 3.41Å; N171-I173 VanDerWaalsContact C-N 3.27Å; N171-I173 HydrophobicContact CB-CD1 4.21Å; N171-I173 PolarHBondContact O-N 3.44Å; I173-F204 HydrophobicContact CG2-CD1 4.17Å; I173-F204 HydrophobicContact CG2-CE1 4.18Å; I173-K208 WeakPolarHBondContact CA-O 3.32Å; I173-V209 HydrophobicContact CG1-CG2 4.47Å
174I93.1Very high94.6Very high0 Ų025 Ų250%011%0.113CC..EExtended strand (participates in β ladder)trans-101.1128.2168.6-52.4172.8000107.5R176 S207 K208 V223 C226 L228 A249 D252I174-R176 HydrophobicContact CB-CG 4.24Å; I174-R176 HydrophobicContact CG2-CG 3.68Å; I174-S207 CarbonylContact O-C 3.44Å; I174-S207 VanDerWaalsContact O-CA 3.22Å; I174-S207 WeakPolarHBondContact O-CA 3.48Å; I174-S207 WeakPolarHBondContact O-CB 3.48Å; I174-K208 PolarHBondContact N-O 3.41Å; I174-K208 PolarHBondContact O-N 3.37Å; I174-V223 HydrophobicContact CD1-CB 4.05Å; I174-V223 HydrophobicContact CD1-CG1 4.4Å; I174-V223 HydrophobicContact CG1-CB 3.83Å; I174-V223 HydrophobicContact CG1-CG1 3.89Å; I174-C226 HydrophobicContact CD1-CB 4.08Å; I174-L228 HydrophobicContact CD1-CD1 4.01Å; I174-L228 HydrophobicContact CG2-CD1 4.32Å; I174-A249 HydrophobicContact CD1-CB 4.18Å; I174-A249 HydrophobicContact CG1-CB 4.12Å; I174-D252 WeakPolarHBondContact CG2-OD2 3.23Å
175H93.6Very high94.5Very high0 Ų025 Ų250%011%0.113CC..  trans-76.1-46.8-172.1-170-60.6000112.7D177 L178 V201 A202 D203 S207 D252H175-D177 PolarHBondContact CE1-O 3.18Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact O-N 2.91Å; H175-L178 HydrophobicContact CB-CD1 4.45Å; H175-L178 HydrophobicContact CB-CD2 4.01Å; H175-L178 HydrophobicContact CB-CG 3.88Å; H175-V201 WeakPolarHBondContact CD2-CG1 2.87Å; H175-V201 WeakPolarHBondContact NE2-CG1 3.27Å; H175-A202 PolarHBondContact CE1-O 2.5Å; H175-A202 PolarHBondContact NE2-O 2.85Å; H175-D203 PolarHBondContact CE1-O 2.68Å; H175-S207 WeakPolarHBondContact O-CA 3.24Å; H175-S207 PolarHBondContact O-N 3.16Å; H175-S207 PolarHBondContact O-OG 3.36Å; H175-D252 PolarHBondContact N-OD2 3.15Å
176R91.5Very high94.3Very high17 Ų1725.8 Ų25.86%0.06412%0.119CC..SBendtrans69.32174.5-53.3171.357.8-157.810.8117.2I174 L206 L228 T230 C232 Y247 D252I174-R176 HydrophobicContact CB-CG 4.24Å; I174-R176 HydrophobicContact CG2-CG 3.68Å; R176-L206 VanDerWaalsContact CD-O 3.27Å; R176-L206 WeakPolarHBondContact CD-O 3.18Å; R176-L206 PolarHBondContact NH1-O 2.96Å; R176-L228 HydrophobicContact CG-CD1 4.08Å; R176-T230 PolarHBondContact NH2-O 2.98Å; R176-C232 PolarHBondContact NH2-SG 2.81Å; R176-Y247 HydrophobicContact CG-CE2 4.23Å; R176-Y247 PolarHBondContact NE-OH 2.64Å; R176-Y247 PolarHBondContact NH2-OH 2.8Å; R176-D252 PolarHBondContact N-OD1 3.07Å
177D91.8Very high93.8Very high16 Ų1629.3 Ų29.39%0.08613%0.133CC..  trans-151.946.8175.1-166.540.3000110.3H175 K179 N182 L206 G233 T234H175-D177 PolarHBondContact CE1-O 3.18Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact O-N 2.91Å; D177-K179 PolarHBondContact O-N 2.99Å; D177-K179 IonicContact OD1-NZ 3.12Å; D177-K179 VanDerWaalsContact OD2-CE 3.32Å; D177-K179 WeakPolarHBondContact OD2-CE 3.45Å; D177-K179 IonicContact OD2-NZ 2.73Å; D177-K179 PolarHBondContact OD2-NZ 3.16Å; D177-N182 PolarHBondContact O-ND2 3.3Å; D177-N182 PolarHBondContact OD2-ND2 3.45Å; D177-L206 HydrophobicContact CB-CB 4.35Å; D177-L206 HydrophobicContact CB-CD1 3.83Å; D177-G233 WeakPolarHBondContact OD1-CA 3.33Å; D177-T234 PolarHBondContact OD1-N 3.13Å; D177-T234 VanDerWaalsContact OD1-N 3.13Å; D177-T234 PolarHBondContact OD1-OG1 2.74Å
178L95.5Very high92.5Very high5 Ų530.8 Ų30.83%0.02615%0.15CC..  trans-70.6118.2173.3-72.2175.6000109.3L165 H175 V201 D252 A255 L256 I259L165-L178 HydrophobicContact CD1-CD1 4.04Å; H175-L178 HydrophobicContact CB-CD1 4.45Å; H175-L178 HydrophobicContact CB-CD2 4.01Å; H175-L178 HydrophobicContact CB-CG 3.88Å; L178-V201 HydrophobicContact CD2-CG1 3.82Å; L178-D252 HydrophobicContact CD1-CB 3.71Å; L178-A255 HydrophobicContact CB-CB 3.92Å; L178-L256 HydrophobicContact CD1-CD2 4.09Å; L178-L256 HydrophobicContact CD1-CG 4.05Å; L178-I259 HydrophobicContact CB-CD1 4.37Å
179K94.5Very high90.7Very high37 Ų3735.8 Ų35.816%0.16118%0.184CC..  trans-150.9159.7173.458.6179.6164.8-166.40109.8D177 D181 N182 T234 Y237D177-K179 PolarHBondContact O-N 2.99Å; D177-K179 IonicContact OD1-NZ 3.12Å; D177-K179 VanDerWaalsContact OD2-CE 3.32Å; D177-K179 WeakPolarHBondContact OD2-CE 3.45Å; D177-K179 IonicContact OD2-NZ 2.73Å; D177-K179 PolarHBondContact OD2-NZ 3.16Å; K179-D181 HydrophobicContact CD-CB 4.13Å; K179-D181 HydrophobicContact CG-CB 4.18Å; K179-D181 PolarHBondContact O-N 3.23Å; K179-N182 VanDerWaalsContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-OD1 3.4Å; K179-N182 HydrophobicContact CG-CB 4Å; K179-N182 PolarHBondContact O-N 3.15Å; K179-T234 HydrophobicContact CD-CG2 4.44Å; K179-T234 WeakPolarHBondContact CD-OG1 3.39Å; K179-T234 PolarHBondContact NZ-OG1 3.15Å; K179-Y237 HydrophobicContact CB-CD1 4.35Å; K179-Y237 HydrophobicContact CB-CD2 3.74Å; K179-Y237 HydrophobicContact CB-CE1 4.28Å; K179-Y237 HydrophobicContact CB-CE2 3.65Å; K179-Y237 HydrophobicContact CB-CG 4.08Å
180P96Very high88.8Confident1 Ų137.2 Ų37.21%0.00619%0.194CC..G310 helixtrans-53.4-33.9177.3-29.640.2000114.1M140 N141 N182 I183 Y237 I259 L279M140-P180 HydrophobicContact CB-CB 4.44Å; M140-P180 WeakPolarHBondContact CB-O 3.17Å; M140-P180 PolarHBondContact N-O 3.49Å; N141-P180 HydrophobicContact CB-CB 3.76Å; P180-N182 VanDerWaalsContact C-N 3.28Å; P180-N182 PolarHBondContact O-N 3.39Å; P180-I183 PolarHBondContact O-N 3.38Å; P180-Y237 VanDerWaalsContact CD-CZ 3.42Å; P180-Y237 VanDerWaalsContact CD-OH 3.3Å; P180-Y237 WeakPolarHBondContact CD-OH 3.41Å; P180-Y237 HydrophobicContact CG-CE1 4.04Å; P180-I259 HydrophobicContact CG-CG1 4.17Å; P180-L279 HydrophobicContact CG-CB 4.08Å
181D92.8Very high86.7Confident42 Ų4234.1 Ų34.123%0.22520%0.201CC..G310 helixtrans-65.4-28.4176.3-56.1-103000113.6K179 I183K179-D181 HydrophobicContact CD-CB 4.13Å; K179-D181 HydrophobicContact CG-CB 4.18Å; K179-D181 PolarHBondContact O-N 3.23Å; D181-I183 VanDerWaalsContact C-N 3.33Å
182N95.3Very high85Confident13 Ų1338.1 Ų38.17%0.0723%0.227CC..G310 helixtrans-92.98179.7-71.5-4.2000112.4D177 K179 P180 A202 D203D177-N182 PolarHBondContact O-ND2 3.3Å; D177-N182 PolarHBondContact OD2-ND2 3.45Å; K179-N182 VanDerWaalsContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-OD1 3.4Å; K179-N182 HydrophobicContact CG-CB 4Å; K179-N182 PolarHBondContact O-N 3.15Å; P180-N182 VanDerWaalsContact C-N 3.28Å; P180-N182 PolarHBondContact O-N 3.39Å; N182-A202 PolarHBondContact O-N 3.11Å; N182-D203 HydrophobicContact CB-CB 4.39Å
183I97.6Very high83.2Confident0 Ų039.1 Ų39.10%025%0.249CC..EExtended strand (participates in β ladder)trans-113.4109.1176.9-62.3159.7000107.5D139 M140 L161 P180 D181 L199 I259D139-I183 CarbonylContact C-O 3.6Å; D139-I183 WeakPolarHBondContact CA-O 3.28Å; M140-I183 HydrophobicContact CB-CB 3.83Å; M140-I183 HydrophobicContact CB-CG2 3.88Å; M140-I183 WeakPolarHBondContact CB-O 3.33Å; M140-I183 HydrophobicContact CG-CG2 4.43Å; M140-I183 PolarHBondContact N-O 3.3Å; M140-I183 HydrophobicContact SD-CB 4.08Å; M140-I183 HydrophobicContact SD-CD1 3.69Å; M140-I183 HydrophobicContact SD-CG1 4.5Å; M140-I183 HydrophobicContact SD-CG2 3.82Å; L161-I183 HydrophobicContact CD1-CD1 4.14Å; L161-I183 HydrophobicContact CD2-CD1 3.58Å; L161-I183 HydrophobicContact CD2-CG1 3.96Å; L161-I183 HydrophobicContact CD2-CG2 4.18Å; P180-I183 PolarHBondContact O-N 3.38Å; D181-I183 VanDerWaalsContact C-N 3.33Å; I183-L199 HydrophobicContact CG2-CB 3.86Å; I183-L199 HydrophobicContact CG2-CD1 4.15Å; I183-L199 HydrophobicContact CG2-CD2 4.33Å; I183-L199 HydrophobicContact CG2-CG 4.34Å; I183-I259 HydrophobicContact CD1-CD1 4.09Å
184L97.1Very high81.5Confident49 Ų4941.5 Ų41.526%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-91.9149.8-176.2-57.6-179.1000111.5I81 C135 D139 L199 K200 A202I81-L184 HydrophobicContact CD1-CD1 4.27Å; C135-L184 HydrophobicContact CB-CB 3.65Å; C135-L184 HydrophobicContact CB-CD1 4.23Å; D139-L184 HydrophobicContact CB-CD2 4.4Å; L184-L199 CarbonylContact O-C 3.51Å; L184-L199 WeakPolarHBondContact O-CA 3.28Å; L184-K200 PolarHBondContact N-O 3.29Å; L184-K200 PolarHBondContact O-N 3.35Å; L184-A202 HydrophobicContact CD1-CB 3.74Å; L184-A202 HydrophobicContact CG-CB 3.86Å
185I96.4Very high80.4Confident0 Ų046.7 Ų46.70%030%0.302CS..EExtended strand (participates in β ladder)trans-111.1127.8-179.8-53.5-56.8000110.1C135 D136 G137 G138 M140 Y143 F157 Q187 P197 L199C135-I185 CarbonylContact C-O 3.52Å; C135-I185 WeakPolarHBondContact CB-O 3.43Å; D136-I185 PolarHBondContact N-O 3.19Å; G137-I185 WeakPolarHBondContact CA-O 3.3Å; G137-I185 PolarHBondContact N-O 2.8Å; G138-I185 PolarHBondContact O-N 3.47Å; M140-I185 HydrophobicContact CB-CD1 4.26Å; Y143-I185 HydrophobicContact CD1-CG1 4.38Å; Y143-I185 HydrophobicContact CD2-CB 4.08Å; Y143-I185 HydrophobicContact CD2-CG1 4.04Å; Y143-I185 HydrophobicContact CD2-CG2 3.72Å; Y143-I185 HydrophobicContact CE2-CG2 3.77Å; Y143-I185 HydrophobicContact CG-CB 4.39Å; Y143-I185 HydrophobicContact CG-CG1 3.82Å; Y143-I185 HydrophobicContact CG-CG2 4.26Å; F157-I185 HydrophobicContact CE1-CD1 4.38Å; F157-I185 HydrophobicContact CE2-CD1 3.97Å; F157-I185 HydrophobicContact CZ-CD1 3.67Å; I185-Q187 HydrophobicContact CG2-CG 4.32Å; I185-P197 HydrophobicContact CG2-CB 3.68Å; I185-L199 HydrophobicContact CD1-CB 3.77Å
186S93.6Very high79.8Confident20 Ų2050.3 Ų50.314%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-105125.6166.7-176.30000109.4D136 P197 T198D136-S186 WeakPolarHBondContact OD1-CA 3.47Å; S186-P197 WeakPolarHBondContact O-CA 3.49Å; S186-T198 PolarHBondContact N-O 3.45Å; S186-T198 PolarHBondContact O-N 3.39Å
187Q86.7Confident79.8Confident85 Ų8550.2 Ų50.240%0.39732%0.32SS..  trans-98.211.3177.4-58-166-93.900112.4D136 Y143 I185 C189D136-Q187 PolarHBondContact OD1-N 3.27Å; Y143-Q187 HydrophobicContact CE2-CG 4.46Å; I185-Q187 HydrophobicContact CG2-CG 4.32Å; Q187-C189 PolarHBondContact O-N 3.2Å
188A70.8Confident80Confident55 Ų5551.5 Ų51.546%0.45533%0.329SS..PPolyproline II helixtrans-54.9127.5-178.200000111.1T190A188-T190 PolarHBondContact O-N 2.66Å
189C56.9Low80Confident106 Ų10651.2 Ų51.272%0.71633%0.327SS*.PPolyproline II helixtrans-62.7119.7170.9-64.90000108.7Q187Q187-C189 PolarHBondContact O-N 3.2Å
190T56.1Low80.1Confident43 Ų4350.8 Ų50.826%0.26433%0.325SS..PPolyproline II helixtrans-64.1153.5170.857.20000109.6A188 T192 G193 S194A188-T190 PolarHBondContact O-N 2.66Å; T190-T192 PolarHBondContact O-N 3.41Å; T190-T192 PolarHBondContact OG1-OG1 2.95Å; T190-G193 PolarHBondContact O-N 2.93Å; T190-S194 PolarHBondContact OG1-N 2.68Å; T190-S194 VanDerWaalsContact OG1-N 3.17Å; T190-S194 PolarHBondContact OG1-O 3.04Å; T190-S194 PolarHBondContact OG1-OG 3.38Å
191P47.4Very low80.2Confident145 Ų14550.9 Ų50.994%0.94233%0.326SS*.THydrogen-bonded Turntrans-56.6-19.4173.4-22.832000113.4G193P191-G193 VanDerWaalsContact C-N 3.29Å
192T55.4Low80.3Confident123 Ų12349.3 Ų49.376%0.75532%0.319SS*.THydrogen-bonded Turntrans-83.41176.655.70000113.5T190 S194T190-T192 PolarHBondContact O-N 3.41Å; T190-T192 PolarHBondContact OG1-OG1 2.95Å; T192-S194 VanDerWaalsContact C-N 3.27Å; T192-S194 PolarHBondContact O-N 3.04Å
193G52.7Low80Confident65 Ų6550.7 Ų50.767%0.6733%0.326SS*.  trans74.910.1177.700000114.5T190 P191 S195T190-G193 PolarHBondContact O-N 2.93Å; P191-G193 VanDerWaalsContact C-N 3.29Å; G193-S195 PolarHBondContact O-N 3.48Å
194S56.3Low79.6Confident49 Ų4950.7 Ų50.734%0.34333%0.326SS..  trans-76.3118.7176.269.30000110T190 T192 E196T190-S194 PolarHBondContact OG1-N 2.68Å; T190-S194 VanDerWaalsContact OG1-N 3.17Å; T190-S194 PolarHBondContact OG1-O 3.04Å; T190-S194 PolarHBondContact OG1-OG 3.38Å; T192-S194 VanDerWaalsContact C-N 3.27Å; T192-S194 PolarHBondContact O-N 3.04Å; S194-E196 PolarHBondContact O-N 3.39Å
195S70.3Confident78.6Confident109 Ų10948.4 Ų48.476%0.76232%0.315SS*.  trans-80.216.2177.7-176.60000113.5G193G193-S195 PolarHBondContact O-N 3.48Å
196E81.3Confident77.8Confident76 Ų7649.3 Ų49.336%0.35532%0.32SS..PPolyproline II helixtrans-81.7132.5-176.4-72.4-170.9-163.500111.6K152 S194K152-E196 WeakPolarHBondContact CE-OE1 3.49Å; K152-E196 IonicContact NZ-OE1 2.63Å; K152-E196 PolarHBondContact NZ-OE1 2.96Å; S194-E196 PolarHBondContact O-N 3.39Å
197P92.3Very high77.2Confident15 Ų1548.6 Ų48.610%0.09731%0.314CS..PPolyproline II helixtrans-64.6137.2177.828.6-36.7000111Y143 F157 Q160 I185 S186Y143-P197 HydrophobicContact CE1-CG 4.33Å; Y143-P197 HydrophobicContact CE2-CB 4.47Å; Y143-P197 WeakPolarHBondContact OH-CG 3.21Å; F157-P197 HydrophobicContact CE1-CB 4.15Å; F157-P197 HydrophobicContact CE1-CG 3.72Å; F157-P197 HydrophobicContact CZ-CB 4.23Å; F157-P197 HydrophobicContact CZ-CG 3.89Å; Q160-P197 PolarHBondContact NE2-O 2.92Å; I185-P197 HydrophobicContact CG2-CB 3.68Å; S186-P197 WeakPolarHBondContact O-CA 3.49Å
198T94.3Very high77.1Confident43 Ų4349.2 Ų49.226%0.26432%0.316SS..EExtended strand (participates in β ladder)trans-100.2131.1170.2-58.40000108.8S186S186-T198 PolarHBondContact N-O 3.45Å; S186-T198 PolarHBondContact O-N 3.39Å
199L96.4Very high77.4Confident0 Ų048.7 Ų48.70%031%0.307CS..EExtended strand (participates in β ladder)trans-93.5152.217267.282.2000111.4N79 F157 Q160 L161 I183 L184 I185N79-L199 VanDerWaalsContact CA-O 3.24Å; N79-L199 WeakPolarHBondContact CA-O 3.49Å; N79-L199 HydrophobicContact CB-CD1 4.15Å; N79-L199 PolarHBondContact ND2-O 3.5Å; F157-L199 HydrophobicContact CB-CD2 3.73Å; F157-L199 HydrophobicContact CD1-CD2 3.8Å; F157-L199 HydrophobicContact CD2-CD2 4.43Å; F157-L199 HydrophobicContact CE1-CD2 4.46Å; F157-L199 HydrophobicContact CG-CD2 3.76Å; F157-L199 WeakPolarHBondContact O-CD2 3.44Å; Q160-L199 HydrophobicContact CB-CD1 3.83Å; Q160-L199 HydrophobicContact CB-CD2 3.79Å; Q160-L199 HydrophobicContact CB-CG 3.61Å; Q160-L199 HydrophobicContact CG-CG 4.45Å; L161-L199 HydrophobicContact CD1-CD2 4.26Å; L161-L199 HydrophobicContact CD2-CD1 3.76Å; L161-L199 HydrophobicContact CD2-CD2 4.29Å; L161-L199 HydrophobicContact CG-CD1 3.95Å; L161-L199 HydrophobicContact CG-CD2 3.77Å; I183-L199 HydrophobicContact CG2-CB 3.86Å; I183-L199 HydrophobicContact CG2-CD1 4.15Å; I183-L199 HydrophobicContact CG2-CD2 4.33Å; I183-L199 HydrophobicContact CG2-CG 4.34Å; L184-L199 CarbonylContact O-C 3.51Å; L184-L199 WeakPolarHBondContact O-CA 3.28Å; I185-L199 HydrophobicContact CD1-CB 3.77Å
200K97.3Very high78.4Confident27 Ų2744.1 Ų44.112%0.11728%0.276CS..EExtended strand (participates in β ladder)trans-135.2121.4175.1-75.5170.9176-90.70109.6P78 N79 I81 D133 L184P78-K200 WeakPolarHBondContact O-CG 3.35Å; N79-K200 WeakPolarHBondContact O-CA 3.48Å; I81-K200 HydrophobicContact CD1-CB 4.39Å; I81-K200 HydrophobicContact CD1-CD 4.21Å; D133-K200 IonicContact OD2-NZ 3.49Å; D133-K200 PolarHBondContact OD2-NZ 3.39Å; L184-K200 PolarHBondContact N-O 3.29Å; L184-K200 PolarHBondContact O-N 3.35Å
201V97.8Very high78.7Confident3 Ų345.9 Ų45.92%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-67129.7171.2178.50000109.1N79 I81 L161 A164 L168 H175 L178 F204N79-V201 PolarHBondContact O-N 3.25Å; I81-V201 WeakPolarHBondContact CB-O 3.39Å; I81-V201 PolarHBondContact N-O 3.4Å; L161-V201 HydrophobicContact CD2-CG2 3.98Å; A164-V201 HydrophobicContact CB-CG2 3.71Å; L168-V201 HydrophobicContact CD1-CG1 4.19Å; H175-V201 WeakPolarHBondContact CD2-CG1 2.87Å; H175-V201 WeakPolarHBondContact NE2-CG1 3.27Å; L178-V201 HydrophobicContact CD2-CG1 3.82Å; V201-F204 HydrophobicContact CG1-CZ 4.39Å
202A94.9Very high78.9Confident9 Ų942.4 Ų42.47%0.07427%0.274CS..  trans-136.4174.9-174.600000111.7I81 H175 N182 L184I81-A202 HydrophobicContact CB-CB 4.14Å; I81-A202 HydrophobicContact CG2-CB 4.2Å; H175-A202 PolarHBondContact CE1-O 2.5Å; H175-A202 PolarHBondContact NE2-O 2.85Å; N182-A202 PolarHBondContact O-N 3.11Å; L184-A202 HydrophobicContact CD1-CB 3.74Å; L184-A202 HydrophobicContact CG-CB 3.86Å
203D89.7Confident78.4Confident42 Ų4241.5 Ų41.523%0.22527%0.272CS..  trans64.284.2-178.8-155.9-5.5000115.4K50 H175 N182 G205K50-D203 IonicContact NZ-OD1 3.56Å; K50-D203 PolarHBondContact NZ-OD1 3.24Å; K50-D203 IonicContact NZ-OD2 2.75Å; H175-D203 PolarHBondContact CE1-O 2.68Å; N182-D203 HydrophobicContact CB-CB 4.39Å; D203-G205 PolarHBondContact OD1-N 2.86Å
204F87.8Confident77.9Confident0 Ų041.7 Ų41.70%027%0.274CS..  trans-95.514-178.1-68.5-99.4000113.2E66 A69 L70 V80 I81 L168 I173 V201 L206 S207E66-F204 HydrophobicContact CG-CB 4.25Å; A69-F204 HydrophobicContact CB-CB 3.9Å; A69-F204 HydrophobicContact CB-CD1 4.1Å; A69-F204 HydrophobicContact CB-CG 4.35Å; L70-F204 HydrophobicContact CD1-CD2 4.48Å; L70-F204 HydrophobicContact CD2-CD2 3.54Å; L70-F204 HydrophobicContact CD2-CE2 3.78Å; L70-F204 HydrophobicContact CD2-CG 4.05Å; L70-F204 HydrophobicContact CD2-CZ 4.45Å; L70-F204 HydrophobicContact CG-CB 4.31Å; L70-F204 HydrophobicContact CG-CD2 4.03Å; L70-F204 HydrophobicContact CG-CG 4.2Å; V80-F204 HydrophobicContact CG1-CE2 4.32Å; V80-F204 HydrophobicContact CG1-CZ 3.81Å; I81-F204 HydrophobicContact CG2-CD2 4.28Å; I81-F204 HydrophobicContact CG2-CE2 3.8Å; L168-F204 HydrophobicContact CD1-CE1 4.02Å; L168-F204 HydrophobicContact CD1-CZ 4.19Å; L168-F204 HydrophobicContact CD2-CE1 3.62Å; L168-F204 HydrophobicContact CD2-CZ 3.93Å; L168-F204 HydrophobicContact CG-CE1 4.49Å; I173-F204 HydrophobicContact CG2-CD1 4.17Å; I173-F204 HydrophobicContact CG2-CE1 4.18Å; V201-F204 HydrophobicContact CG1-CZ 4.39Å; F204-L206 PolarHBondContact O-N 2.91Å; F204-S207 VanDerWaalsContact CA-OG 3.3Å; F204-S207 WeakPolarHBondContact CA-OG 3.41Å; F204-S207 VanDerWaalsContact CD1-OG 3.28Å; F204-S207 WeakPolarHBondContact CD1-OG 3.31Å; F204-S207 VanDerWaalsContact O-CB 3.29Å; F204-S207 WeakPolarHBondContact O-CB 3.44Å; F204-S207 PolarHBondContact O-N 2.96Å; F204-S207 PolarHBondContact O-OG 2.96Å
205G76.9Confident77.3Confident2 Ų244.9 Ų44.92%0.02129%0.287CS..THydrogen-bonded Turntrans-60.3-30-176.300000114.3L62 D203L62-G205 VanDerWaalsContact CD2-O 3.24Å; L62-G205 WeakPolarHBondContact CD2-O 3.37Å; D203-G205 PolarHBondContact OD1-N 2.86Å
206L79.4Confident76.1Confident19 Ų1945.3 Ų45.310%0.09928%0.281CS..THydrogen-bonded Turntrans-98.7-4.3176.5-63179.6000113.4L62 R176 D177 F204 C232L62-L206 HydrophobicContact CD2-CD2 3.65Å; R176-L206 VanDerWaalsContact CD-O 3.27Å; R176-L206 WeakPolarHBondContact CD-O 3.18Å; R176-L206 PolarHBondContact NH1-O 2.96Å; D177-L206 HydrophobicContact CB-CB 4.35Å; D177-L206 HydrophobicContact CB-CD1 3.83Å; F204-L206 PolarHBondContact O-N 2.91Å; L206-C232 HydrophobicContact CD1-CB 4.34Å; L206-C232 HydrophobicContact CD2-CB 4.38Å
207S81.9Confident74.6Confident4 Ų448.5 Ų48.53%0.02831%0.308CS..  trans-64154.4-175.5-62.30000112.8I174 H175 F204I174-S207 CarbonylContact O-C 3.44Å; I174-S207 VanDerWaalsContact O-CA 3.22Å; I174-S207 WeakPolarHBondContact O-CA 3.48Å; I174-S207 WeakPolarHBondContact O-CB 3.48Å; H175-S207 WeakPolarHBondContact O-CA 3.24Å; H175-S207 PolarHBondContact O-N 3.16Å; H175-S207 PolarHBondContact O-OG 3.36Å; F204-S207 VanDerWaalsContact CA-OG 3.3Å; F204-S207 WeakPolarHBondContact CA-OG 3.41Å; F204-S207 VanDerWaalsContact CD1-OG 3.28Å; F204-S207 WeakPolarHBondContact CD1-OG 3.31Å; F204-S207 VanDerWaalsContact O-CB 3.29Å; F204-S207 WeakPolarHBondContact O-CB 3.44Å; F204-S207 PolarHBondContact O-N 2.96Å; F204-S207 PolarHBondContact O-OG 2.96Å
208K83.4Confident72.8Confident99 Ų9956.9 Ų56.943%0.4335%0.346SS..EExtended strand (participates in β ladder)trans-120.2123.5174.6-17670.6174.8-176.50109.7I173 I174 L228I173-K208 WeakPolarHBondContact CA-O 3.32Å; I174-K208 PolarHBondContact N-O 3.41Å; I174-K208 PolarHBondContact O-N 3.37Å; K208-L228 HydrophobicContact CB-CD2 4.03Å; K208-L228 HydrophobicContact CD-CD2 4.43Å; K208-L228 HydrophobicContact CG-CD2 3.72Å
209V78Confident70.8Confident43 Ų4359.3 Ų59.326%0.26135%0.354SS..EExtended strand (participates in β ladder)trans-84.2120.5163.9-173.50000108A69 I173A69-V209 HydrophobicContact CB-CG2 4.12Å; I173-V209 HydrophobicContact CG1-CG2 4.47Å
210C77.9Confident68.7Low11 Ų1164.7 Ų64.77%0.07439%0.389CS..  trans-86113.6175.5-81.30000110.3Q172 V223 C226Q172-C210 HydrophobicContact CB-CB 4.11Å; Q172-C210 WeakPolarHBondContact CB-O 3.37Å; Q172-C210 PolarHBondContact O-N 3.15Å; C210-V223 HydrophobicContact CB-CG1 4.16Å; C210-C226 HydrophobicContact CB-CB 4.45Å; C210-C226 WeakPolarHBondContact CB-SG 3.23Å; C210-C226 WeakPolarHBondContact SG-CB 3.39Å; C210-C226 CovalentContact SG-SG 2.04Å; C210-C226 PolarHBondContact SG-SG 3.4Å
211S62.4Low66.8Low80 Ų8065.1 Ų65.156%0.55940%0.397SS*.  trans-93.3153.8167.7-63.60000110S213S211-S213 WeakPolarHBondContact CB-OG 3.37Å; S211-S213 PolarHBondContact O-N 3.01Å
212A51.2Low65.5Low72 Ų7266.7 Ų66.760%0.59541%0.409SS*.SBendtrans-64.921.4176.300000114.8A221A212-A221 HydrophobicContact CB-CB 3.88Å
213S43.6Very low64.4Low103 Ų10366.5 Ų66.572%0.7241%0.407SS*.  trans-10089.6-176.940.70000108.8S211S211-S213 WeakPolarHBondContact CB-OG 3.37Å; S211-S213 PolarHBondContact O-N 3.01Å
214G43.5Very low63.3Low69 Ų6967.3 Ų67.371%0.71141%0.411SS*.SBendtrans177.2-35.6169.600000117.1
215L42.5Very low62Low116 Ų11672.5 Ų72.561%0.60743%0.434SS*.SBendtrans-145.7112-176.3-68.7168.5000109.1
216N45.4Very low61.3Low119 Ų11973.7 Ų73.764%0.63644%0.441SS*.  trans49.5117.9174.5-64.8-21.6000116.8E218 E219N216-E218 PolarHBondContact O-N 3.44Å; N216-E219 PolarHBondContact O-N 3.02Å
217P49.8Very low60.6Low143 Ų14379.9 Ų79.993%0.92947%0.468SS*.THydrogen-bonded Turntrans-55.8-12.3175.7-23.832.3000115.8
218E54.5Low59.9Low190 Ų19080.2 Ų80.289%0.88847%0.469SS*.THydrogen-bonded Turntrans-98.4-8.1-178.6-56.1-146.215100114.1N216N216-E218 PolarHBondContact O-N 3.44Å
219E52.1Low58.6Low94 Ų9480.2 Ų80.244%0.43948%0.482SS..SBendtrans-98.2130.2173.3-70.3-151158.600111.5N216 A221 K225N216-E219 PolarHBondContact O-N 3.02Å; E219-A221 PolarHBondContact O-N 3.42Å; E219-K225 IonicContact OE1-NZ 2.87Å; E219-K225 IonicContact OE2-NZ 3.39Å; E219-K225 PolarHBondContact OE2-NZ 2.87Å
220P53.8Low58Low113 Ų11381.5 Ų81.573%0.73449%0.489SS*.PPolyproline II helixtrans-63.6138.4175.225.1-31.5000110.4S222P220-S222 PolarHBondContact O-N 3.09Å
221A57.5Low57.1Low36 Ų3684 Ų8430%0.29851%0.511SS..PPolyproline II helixtrans-52.3132.2172.600000110.3Q172 A212 E219Q172-A221 PolarHBondContact OE1-O 2.96Å; A212-A221 HydrophobicContact CB-CB 3.88Å; E219-A221 PolarHBondContact O-N 3.42Å
222S68.6Low57.2Low37 Ų3781.4 Ų81.426%0.25949%0.493SS..  trans-138.2125.4175.4-176.40000109.4Q172 P220 N224 K225 C226Q172-S222 VanDerWaalsContact OE1-CA 3.24Å; P220-S222 PolarHBondContact O-N 3.09Å; S222-N224 PolarHBondContact O-N 3.41Å; S222-N224 VanDerWaalsContact O-N 3.1Å; S222-N224 PolarHBondContact OG-N 2.87Å; S222-K225 PolarHBondContact O-N 3.42Å; S222-C226 PolarHBondContact O-N 3.48Å
223V71.8Confident58.1Low4 Ų479 Ų792%0.02448%0.475CS..G310 helixtrans-55.4-26.3173.4-64.50000113.2H169 Q172 I174 C210 K225 C226 A249H169-V223 HydrophobicContact CB-CG2 3.86Å; Q172-V223 VanDerWaalsContact C-CG1 3.5Å; Q172-V223 VanDerWaalsContact CA-CG1 3.42Å; Q172-V223 HydrophobicContact CB-CG1 4.16Å; I174-V223 HydrophobicContact CD1-CB 4.05Å; I174-V223 HydrophobicContact CD1-CG1 4.4Å; I174-V223 HydrophobicContact CG1-CB 3.83Å; I174-V223 HydrophobicContact CG1-CG1 3.89Å; C210-V223 HydrophobicContact CB-CG1 4.16Å; V223-K225 PolarHBondContact O-N 2.73Å; V223-C226 PolarHBondContact O-N 2.83Å; V223-A249 HydrophobicContact CB-CB 3.79Å; V223-A249 HydrophobicContact CG2-CB 3.69Å; V223-A249 PolarHBondContact O-N 2.85Å
224N67.5Low59.9Low60 Ų6075.9 Ų75.932%0.32145%0.452SS..G310 helixtrans-70.7-17.4176.3-67.5-38.3000113S222S222-N224 PolarHBondContact O-N 3.41Å; S222-N224 VanDerWaalsContact O-N 3.1Å; S222-N224 PolarHBondContact OG-N 2.87Å
225K61.5Low61.9Low109 Ų10976.3 Ų76.347%0.47444%0.438SS..G310 helixtrans-108.4-2176.5-62.2-177.9176.51770112.7E219 S222 V223 F227E219-K225 IonicContact OE1-NZ 2.87Å; E219-K225 IonicContact OE2-NZ 3.39Å; E219-K225 PolarHBondContact OE2-NZ 2.87Å; S222-K225 PolarHBondContact O-N 3.42Å; V223-K225 PolarHBondContact O-N 2.73Å; K225-F227 PolarHBondContact O-N 2.92Å
226C60.9Low64.3Low26 Ų2672.1 Ų72.118%0.17642%0.415CS..  trans-77.3112.3176.2-72.70000110.6I174 C210 S222 V223I174-C226 HydrophobicContact CD1-CB 4.08Å; C210-C226 HydrophobicContact CB-CB 4.45Å; C210-C226 WeakPolarHBondContact CB-SG 3.23Å; C210-C226 WeakPolarHBondContact SG-CB 3.39Å; C210-C226 CovalentContact SG-SG 2.04Å; C210-C226 PolarHBondContact SG-SG 3.4Å; S222-C226 PolarHBondContact O-N 3.48Å; V223-C226 PolarHBondContact O-N 2.83Å
227F64.9Low66.6Low150 Ų15066.8 Ų66.866%0.65839%0.386SS*.  trans-82.8134.8170.2-67.8-82000110.9K225K225-F227 PolarHBondContact O-N 2.92Å
228L67.8Low68.6Low10 Ų1061 Ų615%0.05235%0.347CS..BIsolated β-bridgetrans-116.3131.5179-58.6172.7000109.6I174 R176 K208 G245 H246 Y247I174-L228 HydrophobicContact CD1-CD1 4.01Å; I174-L228 HydrophobicContact CG2-CD1 4.32Å; R176-L228 HydrophobicContact CG-CD1 4.08Å; K208-L228 HydrophobicContact CB-CD2 4.03Å; K208-L228 HydrophobicContact CD-CD2 4.43Å; K208-L228 HydrophobicContact CG-CD2 3.72Å; L228-G245 CarbonylContact O-C 3.55Å; L228-H246 WeakPolarHBondContact O-CA 3.45Å; L228-Y247 HydrophobicContact CB-CD1 4.02Å; L228-Y247 HydrophobicContact CB-CD2 4.08Å; L228-Y247 HydrophobicContact CB-CE1 3.75Å; L228-Y247 HydrophobicContact CB-CE2 3.84Å; L228-Y247 HydrophobicContact CB-CG 4.17Å; L228-Y247 HydrophobicContact CD1-CD2 3.59Å; L228-Y247 HydrophobicContact CD1-CE2 3.21Å; L228-Y247 HydrophobicContact CD1-CG 4.46Å; L228-Y247 HydrophobicContact CG-CD2 4.37Å; L228-Y247 HydrophobicContact CG-CE2 4.14Å; L228-Y247 PolarHBondContact N-O 3.22Å; L228-Y247 PolarHBondContact O-N 3.31Å
229S55.4Low70.5Confident100 Ų10052 Ų5270%0.69931%0.305SS*.  trans-103.3-8.6-173.656.20000115.8G245S229-G245 WeakPolarHBondContact CA-O 3.37Å
230T64.7Low72.4Confident69 Ų6947.8 Ų47.842%0.42329%0.285SS..  trans-104.8114.6-177-45.30000110.1R176 C232 Y247R176-T230 PolarHBondContact NH2-O 2.98Å; T230-C232 PolarHBondContact O-N 3.35Å; T230-Y247 VanDerWaalsContact O-CE1 3.31Å; T230-Y247 WeakPolarHBondContact O-CE1 3.41Å; T230-Y247 PolarHBondContact O-OH 2.9Å
231A59.6Low74.1Confident65 Ų6543 Ų4354%0.53725%0.253SS..  trans-63.8118.8167.500000109.1
232C64.2Low75.4Confident24 Ų2441.5 Ų41.516%0.16224%0.24CC..  trans-158.5156.8177.265.40000109.2R176 L206 T230 Y247R176-C232 PolarHBondContact NH2-SG 2.81Å; L206-C232 HydrophobicContact CD1-CB 4.34Å; L206-C232 HydrophobicContact CD2-CB 4.38Å; T230-C232 PolarHBondContact O-N 3.35Å; C232-Y247 PolarHBondContact SG-OH 3.01Å
233G70.2Confident76Confident23 Ų2344.5 Ų44.524%0.23725%0.246CC..SBendtrans125174.9-174.800000110D177D177-G233 WeakPolarHBondContact OD1-CA 3.33Å
234T81.8Confident76.3Confident37 Ų3750.2 Ų50.223%0.22727%0.273CS..  trans-93.1122.2179-51.50000109.7D177 K179 F236 Y237 M238D177-T234 PolarHBondContact OD1-N 3.13Å; D177-T234 VanDerWaalsContact OD1-N 3.13Å; D177-T234 PolarHBondContact OD1-OG1 2.74Å; K179-T234 HydrophobicContact CD-CG2 4.44Å; K179-T234 WeakPolarHBondContact CD-OG1 3.39Å; K179-T234 PolarHBondContact NZ-OG1 3.15Å; T234-F236 VanDerWaalsContact C-N 3.27Å; T234-F236 PolarHBondContact O-N 3.35Å; T234-Y237 HydrophobicContact CG2-CD2 4.01Å; T234-Y237 HydrophobicContact CG2-CE2 4.05Å; T234-Y237 PolarHBondContact O-N 3.48Å; T234-M238 PolarHBondContact O-N 2.91Å
235D86.5Confident76.3Confident77 Ų7748 Ų4841%0.41226%0.263SS..G310 helixtrans-43-46.3-167-62.41.3000114.9Y237 M238 W243 P291D235-Y237 PolarHBondContact O-N 3.22Å; D235-Y237 VanDerWaalsContact O-N 3.09Å; D235-M238 VanDerWaalsContact CA-CE 3.45Å; D235-M238 HydrophobicContact CB-CE 4.11Å; D235-M238 PolarHBondContact O-N 3.43Å; D235-M238 WeakPolarHBondContact OD1-CE 3.48Å; D235-W243 HydrophobicContact CB-CZ2 4.37Å; D235-P291 HydrophobicContact CB-CG 4.01Å
236F91.9Very high76.5Confident29 Ų2948.8 Ų48.813%0.12727%0.269CS..G310 helixtrans-66.7-10.1-177.4-71.8-84.3000115.6T234 F269 I289 P291T234-F236 VanDerWaalsContact C-N 3.27Å; T234-F236 PolarHBondContact O-N 3.35Å; F236-F269 HydrophobicContact CB-CE1 3.9Å; F236-F269 HydrophobicContact CB-CZ 3.68Å; F236-F269 HydrophobicContact CD1-CD1 4.29Å; F236-F269 HydrophobicContact CD1-CD2 4.41Å; F236-F269 HydrophobicContact CD1-CE1 4.01Å; F236-F269 HydrophobicContact CD1-CE2 4.13Å; F236-F269 HydrophobicContact CD1-CG 4.48Å; F236-F269 AromaticContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD2-CD2 4.32Å; F236-F269 HydrophobicContact CD2-CE1 4.28Å; F236-F269 AromaticContact CD2-CE2 3.42Å; F236-F269 HydrophobicContact CD2-CE2 3.42Å; F236-F269 VanDerWaalsContact CD2-CE2 3.42Å; F236-F269 AromaticContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CE1-CD2 4.17Å; F236-F269 HydrophobicContact CE1-CE2 4.18Å; F236-F269 HydrophobicContact CE1-CG 4.4Å; F236-F269 HydrophobicContact CE1-CZ 4.43Å; F236-F269 HydrophobicContact CE2-CD2 4.07Å; F236-F269 AromaticContact CE2-CE2 3.48Å; F236-F269 HydrophobicContact CE2-CE2 3.48Å; F236-F269 VanDerWaalsContact CE2-CE2 3.48Å; F236-F269 AromaticContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CG-CD1 4.5Å; F236-F269 HydrophobicContact CG-CD2 4.48Å; F236-F269 AromaticContact CG-CE1 3.79Å; F236-F269 HydrophobicContact CG-CE1 3.79Å; F236-F269 AromaticContact CG-CE2 3.76Å; F236-F269 HydrophobicContact CG-CE2 3.76Å; F236-F269 AromaticContact CG-CZ 3.36Å; F236-F269 HydrophobicContact CG-CZ 3.36Å; F236-F269 AromaticContact CZ-CD2 3.99Å; F236-F269 HydrophobicContact CZ-CD2 3.99Å; F236-F269 AromaticContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CZ 4.45Å; F236-I289 HydrophobicContact CE1-CD1 3.83Å; F236-I289 HydrophobicContact CE1-CG1 4.12Å; F236-I289 HydrophobicContact CZ-CD1 3.82Å; F236-I289 HydrophobicContact CZ-CG1 4.1Å; F236-P291 HydrophobicContact CD1-CB 4.32Å; F236-P291 HydrophobicContact CD1-CG 4.14Å; F236-P291 HydrophobicContact CE1-CG 4.05Å; F236-P291 HydrophobicContact CE2-CG 4.49Å; F236-P291 HydrophobicContact CG-CG 4.4Å; F236-P291 HydrophobicContact CZ-CG 4.23Å
237Y93.9Very high77.1Confident7 Ų747.7 Ų47.73%0.02726%0.261CS..G310 helixtrans-119.3-3.5177.8-47.8-88.7000112.5K179 P180 T234 D235 A255 V258 I259 L279K179-Y237 HydrophobicContact CB-CD1 4.35Å; K179-Y237 HydrophobicContact CB-CD2 3.74Å; K179-Y237 HydrophobicContact CB-CE1 4.28Å; K179-Y237 HydrophobicContact CB-CE2 3.65Å; K179-Y237 HydrophobicContact CB-CG 4.08Å; P180-Y237 VanDerWaalsContact CD-CZ 3.42Å; P180-Y237 VanDerWaalsContact CD-OH 3.3Å; P180-Y237 WeakPolarHBondContact CD-OH 3.41Å; P180-Y237 HydrophobicContact CG-CE1 4.04Å; T234-Y237 HydrophobicContact CG2-CD2 4.01Å; T234-Y237 HydrophobicContact CG2-CE2 4.05Å; T234-Y237 PolarHBondContact O-N 3.48Å; D235-Y237 PolarHBondContact O-N 3.22Å; D235-Y237 VanDerWaalsContact O-N 3.09Å; Y237-A255 WeakPolarHBondContact O-CB 3.49Å; Y237-V258 HydrophobicContact CD1-CB 4.41Å; Y237-V258 HydrophobicContact CD1-CG1 3.79Å; Y237-V258 HydrophobicContact CE1-CG1 4.28Å; Y237-I259 HydrophobicContact CD1-CG1 4.08Å; Y237-I259 HydrophobicContact CE1-CG1 4.25Å; Y237-L279 VanDerWaalsContact CE1-O 3.23Å; Y237-L279 WeakPolarHBondContact CE1-O 3.34Å; Y237-L279 PolarHBondContact OH-O 3.34Å
238M92.3Very high77.8Confident21 Ų2141.4 Ų41.410%0.10324%0.235CC..  trans-71.4138.2-179.1-73.4-158.4-87.300111.6T234 D235 V242 W243 F254 G293T234-M238 PolarHBondContact O-N 2.91Å; D235-M238 VanDerWaalsContact CA-CE 3.45Å; D235-M238 HydrophobicContact CB-CE 4.11Å; D235-M238 PolarHBondContact O-N 3.43Å; D235-M238 WeakPolarHBondContact OD1-CE 3.48Å; M238-V242 HydrophobicContact CB-CB 4.49Å; M238-V242 HydrophobicContact CG-CG1 4.43Å; M238-V242 HydrophobicContact SD-CB 4.47Å; M238-V242 HydrophobicContact SD-CG1 3.7Å; M238-W243 HydrophobicContact CE-CZ2 4.06Å; M238-F254 VanDerWaalsContact O-CE1 3.27Å; M238-F254 WeakPolarHBondContact O-CE1 3.33Å; M238-G293 WeakPolarHBondContact O-CA 3.35Å
239A93.1Very high78.8Confident1 Ų140.9 Ų40.91%0.00823%0.232CC..  trans-74.7153.4173.700000111.1E241 V242 A251 F254A239-E241 VanDerWaalsContact C-N 3.29Å; A239-E241 VanDerWaalsContact CB-OE2 3.27Å; A239-E241 WeakPolarHBondContact CB-OE2 3.28Å; A239-E241 PolarHBondContact O-N 2.94Å; A239-V242 HydrophobicContact CB-CG2 4.03Å; A239-V242 WeakPolarHBondContact O-CB 3.46Å; A239-V242 PolarHBondContact O-N 3.39Å; A239-A251 HydrophobicContact CB-CB 4.16Å; A239-F254 VanDerWaalsContact CA-CD1 3.46Å; A239-F254 HydrophobicContact CB-CB 3.65Å; A239-F254 HydrophobicContact CB-CD1 3.77Å; A239-F254 HydrophobicContact CB-CD2 4.3Å; A239-F254 HydrophobicContact CB-CG 3.64Å
240P92.1Very high80.7Confident5 Ų537 Ų373%0.03220%0.202CC..Hα-helixtrans-52.1-44.8-178.3-26.434000113.4V242 W243 F254 G293 L296 L297P240-V242 PolarHBondContact O-N 3.34Å; P240-W243 PolarHBondContact O-N 3.23Å; P240-F254 HydrophobicContact CG-CE2 4.32Å; P240-G293 WeakPolarHBondContact CG-O 3.31Å; P240-L296 HydrophobicContact CG-CB 3.71Å; P240-L296 HydrophobicContact CG-CD1 4.45Å; P240-L297 HydrophobicContact CB-CB 4.11Å; P240-L297 HydrophobicContact CB-CD1 4.4Å
241E89.7Confident82.1Confident12 Ų1234.1 Ų34.16%0.05619%0.186CC..Hα-helixtrans-69.2-13.5-17771.6-87.7-158.400114.2A239 W243 E244 G245 P329 R332A239-E241 VanDerWaalsContact C-N 3.29Å; A239-E241 VanDerWaalsContact CB-OE2 3.27Å; A239-E241 WeakPolarHBondContact CB-OE2 3.28Å; A239-E241 PolarHBondContact O-N 2.94Å; E241-W243 VanDerWaalsContact C-N 3.31Å; E241-E244 PolarHBondContact O-N 2.76Å; E241-G245 PolarHBondContact O-N 2.89Å; E241-P329 HydrophobicContact CB-CG 4.23Å; E241-P329 HydrophobicContact CG-CG 3.88Å; E241-P329 WeakPolarHBondContact OE1-CG 3.41Å; E241-R332 IonicContact OE1-CZ 3.88Å; E241-R332 IonicContact OE1-NH1 3.94Å; E241-R332 PolarHBondContact OE1-NH1 3.46Å; E241-R332 IonicContact OE1-NH2 2.68Å; E241-R332 IonicContact OE2-CZ 3.09Å; E241-R332 IonicContact OE2-NH1 3.71Å; E241-R332 PolarHBondContact OE2-NH1 3Å; E241-R332 IonicContact OE2-NH2 2.77Å; E241-R332 PolarHBondContact OE2-NH2 3.27Å
242V85.6Confident83.8Confident5 Ų531.2 Ų31.23%0.0316%0.161CC..Hα-helixtrans-69.1-35.3178.2179.40000110.4M238 A239 P240 E244 G245 Y247 A251M238-V242 HydrophobicContact CB-CB 4.49Å; M238-V242 HydrophobicContact CG-CG1 4.43Å; M238-V242 HydrophobicContact SD-CB 4.47Å; M238-V242 HydrophobicContact SD-CG1 3.7Å; A239-V242 HydrophobicContact CB-CG2 4.03Å; A239-V242 WeakPolarHBondContact O-CB 3.46Å; A239-V242 PolarHBondContact O-N 3.39Å; P240-V242 PolarHBondContact O-N 3.34Å; V242-E244 VanDerWaalsContact C-N 3.26Å; V242-E244 PolarHBondContact O-N 3.28Å; V242-G245 PolarHBondContact O-N 3.14Å; V242-Y247 HydrophobicContact CB-CD1 4.24Å; V242-Y247 HydrophobicContact CB-CG 4.46Å; V242-Y247 HydrophobicContact CG1-CD1 4.16Å; V242-Y247 HydrophobicContact CG1-CE1 3.95Å; V242-Y247 HydrophobicContact CG2-CD1 4.09Å; V242-Y247 HydrophobicContact CG2-CD2 3.99Å; V242-Y247 HydrophobicContact CG2-CE1 4.5Å; V242-Y247 HydrophobicContact CG2-CE2 4.39Å; V242-Y247 HydrophobicContact CG2-CG 3.82Å; V242-A251 HydrophobicContact CG2-CB 3.95Å
243W80.2Confident85.4Confident100 Ų10030.1 Ų30.138%0.37915%0.154SC..Hα-helixtrans-66.9-28.1176.5-66.787.3000112.7D235 M238 P240 E241 G245 L297D235-W243 HydrophobicContact CB-CZ2 4.37Å; M238-W243 HydrophobicContact CE-CZ2 4.06Å; P240-W243 PolarHBondContact O-N 3.23Å; E241-W243 VanDerWaalsContact C-N 3.31Å; W243-G245 PolarHBondContact O-N 3.48Å; W243-L297 HydrophobicContact CB-CD2 3.77Å; W243-L297 HydrophobicContact CG-CD2 4.3Å
244E78.1Confident86.7Confident125 Ų12529 Ų2958%0.58414%0.142SC*.THydrogen-bonded Turntrans-80.6-4.7174.4-57.6-176.7153.700112.5E241 V242 H246 L297E241-E244 PolarHBondContact O-N 2.76Å; V242-E244 VanDerWaalsContact C-N 3.26Å; V242-E244 PolarHBondContact O-N 3.28Å; E244-H246 VanDerWaalsContact C-N 3.28Å; E244-H246 PolarHBondContact O-N 3.39Å; E244-H246 PolarHBondContact O-ND1 2.95Å; E244-H246 VanDerWaalsContact O-ND1 3.13Å; E244-L297 HydrophobicContact CG-CD1 3.94Å; E244-L297 WeakPolarHBondContact OE1-CD1 3.46Å
245G67Low87.5Confident12 Ų1227.5 Ų27.512%0.12413%0.133CC..THydrogen-bonded Turntrans68.720.5176.800000114.2L228 S229 E241 V242 W243L228-G245 CarbonylContact O-C 3.55Å; S229-G245 WeakPolarHBondContact CA-O 3.37Å; E241-G245 PolarHBondContact O-N 2.89Å; V242-G245 PolarHBondContact O-N 3.14Å; W243-G245 PolarHBondContact O-N 3.48Å
246H66.9Low88Confident126 Ų12623.9 Ų23.958%0.58311%0.114SC*.  trans-138.889.1176.7-66.984.1000110.6L228 E244L228-H246 WeakPolarHBondContact O-CA 3.45Å; E244-H246 VanDerWaalsContact C-N 3.28Å; E244-H246 PolarHBondContact O-N 3.39Å; E244-H246 PolarHBondContact O-ND1 2.95Å; E244-H246 VanDerWaalsContact O-ND1 3.13Å
247Y73.6Confident88.3Confident4 Ų422.5 Ų22.52%0.01611%0.108CC..BIsolated β-bridgetrans-132.4166-17464.2-83.2000113.3R176 L228 T230 C232 V242 A251R176-Y247 HydrophobicContact CG-CE2 4.23Å; R176-Y247 PolarHBondContact NE-OH 2.64Å; R176-Y247 PolarHBondContact NH2-OH 2.8Å; L228-Y247 HydrophobicContact CB-CD1 4.02Å; L228-Y247 HydrophobicContact CB-CD2 4.08Å; L228-Y247 HydrophobicContact CB-CE1 3.75Å; L228-Y247 HydrophobicContact CB-CE2 3.84Å; L228-Y247 HydrophobicContact CB-CG 4.17Å; L228-Y247 HydrophobicContact CD1-CD2 3.59Å; L228-Y247 HydrophobicContact CD1-CE2 3.21Å; L228-Y247 HydrophobicContact CD1-CG 4.46Å; L228-Y247 HydrophobicContact CG-CD2 4.37Å; L228-Y247 HydrophobicContact CG-CE2 4.14Å; L228-Y247 PolarHBondContact N-O 3.22Å; L228-Y247 PolarHBondContact O-N 3.31Å; T230-Y247 VanDerWaalsContact O-CE1 3.31Å; T230-Y247 WeakPolarHBondContact O-CE1 3.41Å; T230-Y247 PolarHBondContact O-OH 2.9Å; C232-Y247 PolarHBondContact SG-OH 3.01Å; V242-Y247 HydrophobicContact CB-CD1 4.24Å; V242-Y247 HydrophobicContact CB-CG 4.46Å; V242-Y247 HydrophobicContact CG1-CD1 4.16Å; V242-Y247 HydrophobicContact CG1-CE1 3.95Å; V242-Y247 HydrophobicContact CG2-CD1 4.09Å; V242-Y247 HydrophobicContact CG2-CD2 3.99Å; V242-Y247 HydrophobicContact CG2-CE1 4.5Å; V242-Y247 HydrophobicContact CG2-CE2 4.39Å; V242-Y247 HydrophobicContact CG2-CG 3.82Å; Y247-A251 HydrophobicContact CD2-CB 3.78Å; Y247-A251 HydrophobicContact CE2-CB 4.49Å
248T78.9Confident88.4Confident17 Ų1722.1 Ų22.110%0.10411%0.107CC..  trans-124-174.4-175.2670000110.9K250 A251T248-K250 PolarHBondContact O-N 3.35Å; T248-K250 WeakPolarHBondContact OG1-CB 3.49Å; T248-K250 PolarHBondContact OG1-N 2.66Å; T248-A251 WeakPolarHBondContact O-CB 3.36Å; T248-A251 PolarHBondContact O-N 2.82Å
249A89.4Confident88.7Confident0 Ų021.2 Ų21.20%010%0.102CC..THydrogen-bonded Turntrans-53.3-20.4170.700000114.5H169 I174 V223 A251 D252H169-A249 PolarHBondContact CE1-O 3.02Å; H169-A249 VanDerWaalsContact CE1-O 3.28Å; I174-A249 HydrophobicContact CD1-CB 4.18Å; I174-A249 HydrophobicContact CG1-CB 4.12Å; V223-A249 HydrophobicContact CB-CB 3.79Å; V223-A249 HydrophobicContact CG2-CB 3.69Å; V223-A249 PolarHBondContact O-N 2.85Å; A249-A251 PolarHBondContact O-N 3.06Å; A249-D252 WeakPolarHBondContact O-CB 3.33Å; A249-D252 PolarHBondContact O-N 2.93Å; A249-D252 VanDerWaalsContact O-N 3.14Å
250K94.8Very high88.8Confident18 Ų1821.2 Ų21.28%0.07810%0.102CC..Hα-helixtrans-66.1-15.5176.3-61.6-61.1-168.872.90113.8T248 D252 I253 F254 P329 R332T248-K250 PolarHBondContact O-N 3.35Å; T248-K250 WeakPolarHBondContact OG1-CB 3.49Å; T248-K250 PolarHBondContact OG1-N 2.66Å; K250-D252 VanDerWaalsContact C-N 3.34Å; K250-I253 HydrophobicContact CD-CG1 4.27Å; K250-I253 WeakPolarHBondContact O-CB 3.3Å; K250-I253 PolarHBondContact O-N 3.44Å; K250-F254 PolarHBondContact O-N 3.04Å; K250-F254 VanDerWaalsContact O-N 3.16Å; K250-P329 HydrophobicContact CB-CB 3.93Å; K250-P329 HydrophobicContact CG-CB 4.39Å; K250-P329 WeakPolarHBondContact CG-O 3.42Å; K250-P329 PolarHBondContact NZ-O 2.04Å; K250-R332 HydrophobicContact CD-CB 4.27Å; K250-R332 PolarHBondContact NZ-O 3.1Å; K250-R332 PolarHBondContact O-NH1 3.43Å
251A93.9Very high88.9Confident9 Ų922 Ų227%0.07410%0.104CC..Hα-helixtrans-65.1-38.717100000111.6A239 V242 Y247 T248 A249 I253 F254 A255A239-A251 HydrophobicContact CB-CB 4.16Å; V242-A251 HydrophobicContact CG2-CB 3.95Å; Y247-A251 HydrophobicContact CD2-CB 3.78Å; Y247-A251 HydrophobicContact CE2-CB 4.49Å; T248-A251 WeakPolarHBondContact O-CB 3.36Å; T248-A251 PolarHBondContact O-N 2.82Å; A249-A251 PolarHBondContact O-N 3.06Å; A251-I253 VanDerWaalsContact C-N 3.27Å; A251-I253 PolarHBondContact O-N 3.29Å; A251-F254 WeakPolarHBondContact O-CB 3.37Å; A251-F254 PolarHBondContact O-N 3.17Å; A251-A255 PolarHBondContact O-N 3.23Å
252D96.3Very high89.1Confident3 Ų321.4 Ų21.42%0.01610%0.101CC..Hα-helixtrans-64.7-34.4175.4-70.6-19.9000111.4L165 H169 I174 H175 R176 L178 A249 K250 A255 L256L165-D252 HydrophobicContact CD1-CB 3.8Å; L165-D252 HydrophobicContact CD2-CB 4.05Å; H169-D252 IonicContact CD2-OD2 3.57Å; H169-D252 IonicContact CE1-OD2 3.69Å; H169-D252 IonicContact NE2-OD2 2.65Å; H169-D252 PolarHBondContact NE2-OD2 3.01Å; I174-D252 WeakPolarHBondContact CG2-OD2 3.23Å; H175-D252 PolarHBondContact N-OD2 3.15Å; R176-D252 PolarHBondContact N-OD1 3.07Å; L178-D252 HydrophobicContact CD1-CB 3.71Å; A249-D252 WeakPolarHBondContact O-CB 3.33Å; A249-D252 PolarHBondContact O-N 2.93Å; A249-D252 VanDerWaalsContact O-N 3.14Å; K250-D252 VanDerWaalsContact C-N 3.34Å; D252-A255 PolarHBondContact O-N 3.42Å; D252-L256 PolarHBondContact O-N 3.05Å
253I97.9Very high89.4Confident1 Ų121.1 Ų21.11%0.00510%0.1CC..Hα-helixtrans-64.9-42.3176.1-56.9-69.5000110.7L165 K250 A251 L256 G257 M324 R332 P333 A335 L338L165-I253 HydrophobicContact CD2-CD1 3.59Å; L165-I253 HydrophobicContact CD2-CG1 4.45Å; K250-I253 HydrophobicContact CD-CG1 4.27Å; K250-I253 WeakPolarHBondContact O-CB 3.3Å; K250-I253 PolarHBondContact O-N 3.44Å; A251-I253 VanDerWaalsContact C-N 3.27Å; A251-I253 PolarHBondContact O-N 3.29Å; I253-L256 PolarHBondContact O-N 3.42Å; I253-G257 PolarHBondContact O-N 3.31Å; I253-M324 HydrophobicContact CG2-CB 4.11Å; I253-M324 HydrophobicContact CG2-CE 4.41Å; I253-M324 HydrophobicContact CG2-CG 3.94Å; I253-M324 WeakPolarHBondContact O-CE 2.95Å; I253-R332 HydrophobicContact CG2-CB 4.14Å; I253-P333 HydrophobicContact CG2-CG 4.23Å; I253-A335 HydrophobicContact CD1-CB 4.06Å; I253-L338 HydrophobicContact CD1-CD2 3.87Å
254F97.5Very high89.9Confident0 Ų017.1 Ų17.10%09%0.086CC..Hα-helixtrans-63.5-46.2175.3-176-84.2000111.6M238 A239 P240 K250 A251 L256 G257 V258 L292 L296 M324 L325M238-F254 VanDerWaalsContact O-CE1 3.27Å; M238-F254 WeakPolarHBondContact O-CE1 3.33Å; A239-F254 VanDerWaalsContact CA-CD1 3.46Å; A239-F254 HydrophobicContact CB-CB 3.65Å; A239-F254 HydrophobicContact CB-CD1 3.77Å; A239-F254 HydrophobicContact CB-CD2 4.3Å; A239-F254 HydrophobicContact CB-CG 3.64Å; P240-F254 HydrophobicContact CG-CE2 4.32Å; K250-F254 PolarHBondContact O-N 3.04Å; K250-F254 VanDerWaalsContact O-N 3.16Å; A251-F254 WeakPolarHBondContact O-CB 3.37Å; A251-F254 PolarHBondContact O-N 3.17Å; F254-L256 VanDerWaalsContact C-N 3.33Å; F254-L256 PolarHBondContact O-N 3.36Å; F254-G257 WeakPolarHBondContact O-CA 3.48Å; F254-G257 PolarHBondContact O-N 3.49Å; F254-V258 HydrophobicContact CD1-CG2 4.03Å; F254-V258 HydrophobicContact CE1-CG2 3.64Å; F254-V258 HydrophobicContact CZ-CG2 4.31Å; F254-V258 PolarHBondContact O-N 3.43Å; F254-L292 HydrophobicContact CZ-CD2 4.39Å; F254-L292 HydrophobicContact CZ-CG 4.34Å; F254-L296 HydrophobicContact CE2-CD1 3.67Å; F254-L296 HydrophobicContact CZ-CD1 3.86Å; F254-M324 WeakPolarHBondContact CA-O 3.43Å; F254-L325 HydrophobicContact CD2-CD2 4.06Å; F254-L325 HydrophobicContact CE1-CD2 4.38Å; F254-L325 HydrophobicContact CE2-CB 4.41Å; F254-L325 HydrophobicContact CE2-CD2 3.86Å; F254-L325 HydrophobicContact CG-CD2 4.4Å; F254-L325 HydrophobicContact CZ-CD2 4.03Å
255A97.4Very high90.4Very high5 Ų511.8 Ų11.84%0.0416%0.061CC..Hα-helixtrans-58.1-44176.900000111.7L178 Y237 A251 D252 G257 V258 I259L178-A255 HydrophobicContact CB-CB 3.92Å; Y237-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.23Å; D252-A255 PolarHBondContact O-N 3.42Å; A255-G257 VanDerWaalsContact C-N 3.29Å; A255-G257 PolarHBondContact O-N 2.75Å; A255-V258 WeakPolarHBondContact O-CB 3.47Å; A255-V258 PolarHBondContact O-N 3.35Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.33Å; A255-I259 PolarHBondContact O-N 2.96Å
256L97.9Very high91.6Very high1 Ų113.7 Ų13.71%0.0057%0.065CC..Hα-helixtrans-61.8-35.9171.5-74.7-167.3000112.6L161 L165 L178 D252 I253 F254 V258 I259 F260 M324 L338L161-L256 HydrophobicContact CB-CD1 4.49Å; L161-L256 HydrophobicContact CB-CD2 4.14Å; L161-L256 HydrophobicContact CD1-CD2 4.32Å; L161-L256 HydrophobicContact CD2-CD2 4.27Å; L161-L256 HydrophobicContact CG-CD2 4.47Å; L165-L256 HydrophobicContact CB-CD1 4.03Å; L165-L256 HydrophobicContact CD2-CD1 3.41Å; L165-L256 VanDerWaalsContact CD2-CD1 3.41Å; L165-L256 HydrophobicContact CD2-CG 4.07Å; L165-L256 HydrophobicContact CG-CD1 4.32Å; L178-L256 HydrophobicContact CD1-CD2 4.09Å; L178-L256 HydrophobicContact CD1-CG 4.05Å; D252-L256 PolarHBondContact O-N 3.05Å; I253-L256 PolarHBondContact O-N 3.42Å; F254-L256 VanDerWaalsContact C-N 3.33Å; F254-L256 PolarHBondContact O-N 3.36Å; L256-V258 VanDerWaalsContact C-N 3.34Å; L256-I259 HydrophobicContact CD2-CD1 4.16Å; L256-I259 PolarHBondContact O-N 3.34Å; L256-F260 HydrophobicContact CB-CE1 4.5Å; L256-F260 HydrophobicContact CB-CZ 4.48Å; L256-F260 HydrophobicContact CD1-CZ 4.4Å; L256-F260 HydrophobicContact CD2-CE1 4.45Å; L256-F260 WeakPolarHBondContact O-CB 3.24Å; L256-F260 VanDerWaalsContact O-CD1 3.29Å; L256-F260 WeakPolarHBondContact O-CD1 3.27Å; L256-F260 WeakPolarHBondContact O-CG 3.46Å; L256-F260 PolarHBondContact O-N 2.81Å; L256-M324 HydrophobicContact CB-CE 3.59Å; L256-L338 HydrophobicContact CD1-CD2 3.97Å
257G97.5Very high92.8Very high0 Ų09.4 Ų9.40%05%0.046CC..Hα-helixtrans-61.2-43.2175.900000111.8I253 F254 A255 F260 W261 M324I253-G257 PolarHBondContact O-N 3.31Å; F254-G257 WeakPolarHBondContact O-CA 3.48Å; F254-G257 PolarHBondContact O-N 3.49Å; A255-G257 VanDerWaalsContact C-N 3.29Å; A255-G257 PolarHBondContact O-N 2.75Å; G257-F260 PolarHBondContact O-N 2.88Å; G257-W261 WeakPolarHBondContact O-CB 3.43Å; G257-W261 PolarHBondContact O-N 3.47Å; G257-M324 VanDerWaalsContact N-CE 3.35Å
258V96.8Very high93.7Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-62.1-48.4174173.40000110.5Y237 F254 A255 L256 F260 W261 A262 L292 L325Y237-V258 HydrophobicContact CD1-CB 4.41Å; Y237-V258 HydrophobicContact CD1-CG1 3.79Å; Y237-V258 HydrophobicContact CE1-CG1 4.28Å; F254-V258 HydrophobicContact CD1-CG2 4.03Å; F254-V258 HydrophobicContact CE1-CG2 3.64Å; F254-V258 HydrophobicContact CZ-CG2 4.31Å; F254-V258 PolarHBondContact O-N 3.43Å; A255-V258 WeakPolarHBondContact O-CB 3.47Å; A255-V258 PolarHBondContact O-N 3.35Å; L256-V258 VanDerWaalsContact C-N 3.34Å; V258-F260 PolarHBondContact O-N 3.49Å; V258-W261 PolarHBondContact O-N 3.46Å; V258-A262 VanDerWaalsContact O-CB 3.26Å; V258-A262 WeakPolarHBondContact O-CB 3.33Å; V258-A262 PolarHBondContact O-N 2.81Å; V258-L292 HydrophobicContact CG2-CD2 4.27Å; V258-L325 HydrophobicContact CG2-CD2 3.76Å
259I97.1Very high94.4Very high2 Ų210.5 Ų10.51%0.015%0.052CC..Hα-helixtrans-60.2-46.1179.4-67.7163.8000110.7M140 L161 L178 P180 I183 Y237 A255 L256 M263M140-I259 HydrophobicContact CE-CG2 3.74Å; M140-I259 HydrophobicContact SD-CG2 4.36Å; L161-I259 HydrophobicContact CD1-CG2 4.34Å; L178-I259 HydrophobicContact CB-CD1 4.37Å; P180-I259 HydrophobicContact CG-CG1 4.17Å; I183-I259 HydrophobicContact CD1-CD1 4.09Å; Y237-I259 HydrophobicContact CD1-CG1 4.08Å; Y237-I259 HydrophobicContact CE1-CG1 4.25Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.33Å; A255-I259 PolarHBondContact O-N 2.96Å; L256-I259 HydrophobicContact CD2-CD1 4.16Å; L256-I259 PolarHBondContact O-N 3.34Å; I259-M263 WeakPolarHBondContact O-CB 3.41Å; I259-M263 PolarHBondContact O-N 3.11Å
260F95.9Very high94.5Very high0 Ų014.4 Ų14.40%08%0.076CC..Hα-helixtrans-63.9-45.9-179.3-72.32.7000111.1M158 L161 L256 G257 V258 M263 V264 I321 M324 L342M158-F260 HydrophobicContact CB-CE1 4.05Å; M158-F260 HydrophobicContact CB-CE2 4.16Å; M158-F260 HydrophobicContact CB-CZ 3.85Å; M158-F260 HydrophobicContact CE-CB 4.28Å; M158-F260 HydrophobicContact CE-CG 4.47Å; M158-F260 HydrophobicContact CG-CD1 3.76Å; M158-F260 HydrophobicContact CG-CD2 4.08Å; M158-F260 HydrophobicContact CG-CE1 3.78Å; M158-F260 HydrophobicContact CG-CE2 4.1Å; M158-F260 HydrophobicContact CG-CG 3.91Å; M158-F260 HydrophobicContact CG-CZ 3.95Å; M158-F260 HydrophobicContact SD-CD2 4.27Å; M158-F260 HydrophobicContact SD-CG 4.32Å; L161-F260 HydrophobicContact CB-CE1 4.03Å; L161-F260 HydrophobicContact CB-CZ 4.27Å; L161-F260 HydrophobicContact CD1-CE1 3.82Å; L256-F260 HydrophobicContact CB-CE1 4.5Å; L256-F260 HydrophobicContact CB-CZ 4.48Å; L256-F260 HydrophobicContact CD1-CZ 4.4Å; L256-F260 HydrophobicContact CD2-CE1 4.45Å; L256-F260 WeakPolarHBondContact O-CB 3.24Å; L256-F260 VanDerWaalsContact O-CD1 3.29Å; L256-F260 WeakPolarHBondContact O-CD1 3.27Å; L256-F260 WeakPolarHBondContact O-CG 3.46Å; L256-F260 PolarHBondContact O-N 2.81Å; G257-F260 PolarHBondContact O-N 2.88Å; V258-F260 PolarHBondContact O-N 3.49Å; F260-M263 HydrophobicContact CD1-CE 4.28Å; F260-M263 PolarHBondContact O-N 3.46Å; F260-V264 WeakPolarHBondContact O-CB 3.39Å; F260-V264 VanDerWaalsContact O-CG2 3.22Å; F260-V264 WeakPolarHBondContact O-CG2 3.08Å; F260-V264 PolarHBondContact O-N 3.4Å; F260-I321 HydrophobicContact CB-CD1 3.94Å; F260-I321 HydrophobicContact CB-CG1 4.12Å; F260-M324 HydrophobicContact CD2-CE 3.81Å; F260-M324 HydrophobicContact CD2-SD 3.94Å; F260-M324 HydrophobicContact CE2-CE 3.79Å; F260-M324 HydrophobicContact CE2-SD 4.16Å; F260-L342 HydrophobicContact CE2-CD1 4.07Å; F260-L342 HydrophobicContact CE2-CD2 4.04Å; F260-L342 HydrophobicContact CZ-CD1 4.22Å
261W94.1Very high94.2Very high21 Ų2114.9 Ų14.98%0.088%0.08CC..Hα-helixtrans-64-49.5178.9-171.710.9000111.6G257 V258 M263 V264 E265 I267 L292 L304 I306 I321 L325G257-W261 WeakPolarHBondContact O-CB 3.43Å; G257-W261 PolarHBondContact O-N 3.47Å; V258-W261 PolarHBondContact O-N 3.46Å; W261-M263 VanDerWaalsContact C-N 3.33Å; W261-M263 PolarHBondContact O-N 3.05Å; W261-V264 PolarHBondContact O-N 2.98Å; W261-E265 PolarHBondContact O-N 3.13Å; W261-I267 HydrophobicContact CD2-CD1 4.12Å; W261-I267 HydrophobicContact CG-CD1 4.17Å; W261-I267 HydrophobicContact CZ2-CD1 4.32Å; W261-L292 HydrophobicContact CE3-CD2 4.09Å; W261-L292 HydrophobicContact CZ3-CD1 4.45Å; W261-L292 HydrophobicContact CZ3-CD2 3.8Å; W261-L304 HydrophobicContact CH2-CB 4.32Å; W261-L304 HydrophobicContact CZ3-CB 4.46Å; W261-L304 HydrophobicContact CZ3-CD1 4.31Å; W261-L304 HydrophobicContact CZ3-CD2 4.48Å; W261-I306 HydrophobicContact CD2-CG1 4.02Å; W261-I306 HydrophobicContact CE3-CG1 4.44Å; W261-I306 HydrophobicContact CH2-CG1 4.18Å; W261-I306 HydrophobicContact CZ2-CB 4.23Å; W261-I306 HydrophobicContact CZ2-CG1 3.73Å; W261-I321 HydrophobicContact CB-CG2 3.94Å; W261-I321 HydrophobicContact CG-CG2 4.41Å; W261-L325 HydrophobicContact CD2-CD1 4.35Å; W261-L325 HydrophobicContact CE3-CD1 3.51Å; W261-L325 HydrophobicContact CZ3-CD1 4.1Å
262A94.1Very high93.7Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-60.1-42178.700000112V258 R266 I267 L279V258-A262 VanDerWaalsContact O-CB 3.26Å; V258-A262 WeakPolarHBondContact O-CB 3.33Å; V258-A262 PolarHBondContact O-N 2.81Å; A262-R266 CarbonylContact O-C 3.55Å; A262-R266 WeakPolarHBondContact O-CA 3.2Å; A262-R266 PolarHBondContact O-N 2.84Å; A262-I267 HydrophobicContact CB-CB 4.38Å; A262-I267 PolarHBondContact O-N 3.22Å; A262-L279 HydrophobicContact CB-CB 4.23Å; A262-L279 HydrophobicContact CB-CD2 4.49Å
263M93.1Very high93.1Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-64.4-42.7178173.9174.761.100112.9M140 L144 N154 F157 M158 I259 F260 W261M140-M263 HydrophobicContact CE-CE 4.29Å; M140-M263 HydrophobicContact CE-CG 4.42Å; M140-M263 HydrophobicContact CE-SD 3.41Å; M140-M263 WeakPolarHBondContact CE-SD 3.5Å; L144-M263 HydrophobicContact CD1-CB 4.31Å; L144-M263 HydrophobicContact CD1-CG 3.78Å; L144-M263 HydrophobicContact CD1-SD 3.89Å; N154-M263 HydrophobicContact CB-CE 4.21Å; N154-M263 HydrophobicContact CB-CG 4.31Å; N154-M263 HydrophobicContact CB-SD 4.21Å; N154-M263 PolarHBondContact ND2-O 3.24Å; N154-M263 WeakPolarHBondContact OD1-CG 3.35Å; F157-M263 HydrophobicContact CB-CE 4.39Å; F157-M263 HydrophobicContact CB-SD 4.1Å; F157-M263 HydrophobicContact CD2-SD 4.25Å; M158-M263 HydrophobicContact CE-CE 3.72Å; M158-M263 HydrophobicContact CG-CE 3.57Å; I259-M263 WeakPolarHBondContact O-CB 3.41Å; I259-M263 PolarHBondContact O-N 3.11Å; F260-M263 HydrophobicContact CD1-CE 4.28Å; F260-M263 PolarHBondContact O-N 3.46Å; W261-M263 VanDerWaalsContact C-N 3.33Å; W261-M263 PolarHBondContact O-N 3.05Å
264V89.8Confident92.4Very high15 Ų1532.3 Ų32.39%0.09117%0.172CC..Hα-helixtrans-69.8-47.8-178169.40000111.5M158 F260 W261 M313M158-V264 HydrophobicContact CE-CG2 3.11Å; F260-V264 WeakPolarHBondContact O-CB 3.39Å; F260-V264 VanDerWaalsContact O-CG2 3.22Å; F260-V264 WeakPolarHBondContact O-CG2 3.08Å; F260-V264 PolarHBondContact O-N 3.4Å; W261-V264 PolarHBondContact O-N 2.98Å; V264-M313 HydrophobicContact CG1-CB 3.92Å; V264-M313 HydrophobicContact CG1-CE 4.47Å; V264-M313 HydrophobicContact CG1-SD 4.18Å
265E89Confident92.1Very high13 Ų1338.9 Ų38.96%0.06120%0.203CC..Hα-helixtrans-91.1-5.8-174.4-68.6-59.4134.400113W261 I267 S312W261-E265 PolarHBondContact O-N 3.13Å; E265-I267 HydrophobicContact CB-CD1 4.07Å; E265-I267 HydrophobicContact CB-CG1 3.77Å; E265-S312 VanDerWaalsContact OE1-CB 3.27Å; E265-S312 WeakPolarHBondContact OE1-CB 3.07Å; E265-S312 PolarHBondContact OE1-OG 3.13Å
266R90.8Very high91.7Very high52 Ų5244.4 Ų44.420%0.19623%0.226CC..THydrogen-bonded Turntrans53.453.3-171.5-65.1-54.3-167117.5-0.5111.8L144 R147 P149 A262L144-R266 VanDerWaalsContact O-CZ 3.25Å; L144-R266 PolarHBondContact O-NH1 3.26Å; L144-R266 PolarHBondContact O-NH2 2.9Å; R147-R266 PolarHBondContact O-NH2 3.09Å; R147-R266 VanDerWaalsContact O-NH2 3.1Å; P149-R266 HydrophobicContact CB-CG 4.26Å; P149-R266 HydrophobicContact CG-CG 3.62Å; A262-R266 CarbonylContact O-C 3.55Å; A262-R266 WeakPolarHBondContact O-CA 3.2Å; A262-R266 PolarHBondContact O-N 2.84Å
267I92.2Very high91.6Very high37 Ų3749 Ų4919%0.1925%0.248CC..  trans-83.1121.2173-48.3173.5000106.9W261 A262 E265 L279 G280 Y282W261-I267 HydrophobicContact CD2-CD1 4.12Å; W261-I267 HydrophobicContact CG-CD1 4.17Å; W261-I267 HydrophobicContact CZ2-CD1 4.32Å; A262-I267 HydrophobicContact CB-CB 4.38Å; A262-I267 PolarHBondContact O-N 3.22Å; E265-I267 HydrophobicContact CB-CD1 4.07Å; E265-I267 HydrophobicContact CB-CG1 3.77Å; I267-L279 WeakPolarHBondContact O-CA 3.38Å; I267-G280 CarbonylContact C-O 3.53Å; I267-G280 VanDerWaalsContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CG2-O 3.41Å; I267-G280 PolarHBondContact O-N 2.99Å; I267-Y282 HydrophobicContact CG2-CD1 4.32Å; I267-Y282 HydrophobicContact CG2-CE1 3.85Å
268T94.1Very high91.4Very high35 Ų3549.5 Ų49.522%0.21525%0.25CS..EExtended strand (participates in β ladder)trans-130.6154.3179.861.60000110.9L145 E277 L278 L279 Y282L145-T268 HydrophobicContact CD2-CG2 3.57Å; T268-E277 VanDerWaalsContact CB-OE1 3.29Å; T268-E277 WeakPolarHBondContact CB-OE1 3.5Å; T268-E277 HydrophobicContact CG2-CG 4.19Å; T268-E277 PolarHBondContact OG1-OE1 2.96Å; T268-L278 CarbonylContact C-O 3.59Å; T268-L278 WeakPolarHBondContact CA-O 3.37Å; T268-L278 WeakPolarHBondContact CB-O 3.44Å; T268-L279 HydrophobicContact CG2-CD2 3.95Å; T268-Y282 WeakPolarHBondContact O-CE1 3.36Å; T268-Y282 PolarHBondContact O-OH 2.85Å
269F92.9Very high91.3Very high9 Ų949.6 Ų49.64%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-135.9161.717067.5-80.6000109.1F236 D271 E277 L278 Y282 I289F236-F269 HydrophobicContact CB-CE1 3.9Å; F236-F269 HydrophobicContact CB-CZ 3.68Å; F236-F269 HydrophobicContact CD1-CD1 4.29Å; F236-F269 HydrophobicContact CD1-CD2 4.41Å; F236-F269 HydrophobicContact CD1-CE1 4.01Å; F236-F269 HydrophobicContact CD1-CE2 4.13Å; F236-F269 HydrophobicContact CD1-CG 4.48Å; F236-F269 AromaticContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD2-CD2 4.32Å; F236-F269 HydrophobicContact CD2-CE1 4.28Å; F236-F269 AromaticContact CD2-CE2 3.42Å; F236-F269 HydrophobicContact CD2-CE2 3.42Å; F236-F269 VanDerWaalsContact CD2-CE2 3.42Å; F236-F269 AromaticContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CE1-CD2 4.17Å; F236-F269 HydrophobicContact CE1-CE2 4.18Å; F236-F269 HydrophobicContact CE1-CG 4.4Å; F236-F269 HydrophobicContact CE1-CZ 4.43Å; F236-F269 HydrophobicContact CE2-CD2 4.07Å; F236-F269 AromaticContact CE2-CE2 3.48Å; F236-F269 HydrophobicContact CE2-CE2 3.48Å; F236-F269 VanDerWaalsContact CE2-CE2 3.48Å; F236-F269 AromaticContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CG-CD1 4.5Å; F236-F269 HydrophobicContact CG-CD2 4.48Å; F236-F269 AromaticContact CG-CE1 3.79Å; F236-F269 HydrophobicContact CG-CE1 3.79Å; F236-F269 AromaticContact CG-CE2 3.76Å; F236-F269 HydrophobicContact CG-CE2 3.76Å; F236-F269 AromaticContact CG-CZ 3.36Å; F236-F269 HydrophobicContact CG-CZ 3.36Å; F236-F269 AromaticContact CZ-CD2 3.99Å; F236-F269 HydrophobicContact CZ-CD2 3.99Å; F236-F269 AromaticContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CZ 4.45Å; F269-D271 HydrophobicContact CE2-CB 4.33Å; F269-E277 CarbonylContact O-C 3.56Å; F269-E277 WeakPolarHBondContact O-CA 3.37Å; F269-L278 HydrophobicContact CD1-CB 4.37Å; F269-L278 HydrophobicContact CE1-CB 3.81Å; F269-L278 HydrophobicContact CE2-CB 4.3Å; F269-L278 HydrophobicContact CE2-CD1 4.15Å; F269-L278 HydrophobicContact CZ-CB 3.78Å; F269-L278 HydrophobicContact CZ-CD1 3.87Å; F269-L278 HydrophobicContact CZ-CG 4.41Å; F269-L278 PolarHBondContact N-O 3.28Å; F269-L278 PolarHBondContact O-N 3.36Å; F269-Y282 HydrophobicContact CB-CD1 4.1Å; F269-Y282 HydrophobicContact CB-CE1 3.87Å; F269-Y282 HydrophobicContact CD1-CD1 4.48Å; F269-I289 HydrophobicContact CB-CD1 3.62Å; F269-I289 HydrophobicContact CD2-CD1 4.02Å; F269-I289 HydrophobicContact CG-CD1 4.09Å
270V91.8Very high91.1Very high81 Ų8149.5 Ų49.549%0.49125%0.251SS..EExtended strand (participates in β ladder)trans-97.6119.7172.8-179.50000107.7V272 K276V270-V272 PolarHBondContact O-N 2.87Å; V270-K276 WeakPolarHBondContact CA-O 3.46Å
271D87.3Confident90.9Very high29 Ų2949.5 Ų49.516%0.15525%0.251CS..  trans-67.1126.7174.3179.2-107.7000110.2F269 E273 T274 Q275 K276 L278F269-D271 HydrophobicContact CE2-CB 4.33Å; D271-E273 VanDerWaalsContact C-N 3.33Å; D271-E273 PolarHBondContact O-N 2.98Å; D271-E273 PolarHBondContact OD1-N 3.02Å; D271-T274 WeakPolarHBondContact CB-OG1 3.46Å; D271-T274 VanDerWaalsContact OD1-CB 3.27Å; D271-T274 WeakPolarHBondContact OD1-CB 3.45Å; D271-T274 WeakPolarHBondContact OD1-CG2 3.24Å; D271-T274 PolarHBondContact OD1-N 3.47Å; D271-T274 PolarHBondContact OD1-OG1 2.9Å; D271-Q275 WeakPolarHBondContact O-CA 3.26Å; D271-Q275 PolarHBondContact O-N 3.3Å; D271-K276 PolarHBondContact N-O 3.32Å; D271-L278 HydrophobicContact CB-CD1 3.71Å; D271-L278 HydrophobicContact CB-CG 4.21Å
272V84.8Confident90.8Very high121 Ų12152 Ų5273%0.73326%0.26SS*.THydrogen-bonded Turntrans-68.6-35.4-171.8178.90000111.1V270 Q275V270-V272 PolarHBondContact O-N 2.87Å; V272-Q275 PolarHBondContact O-NE2 3.49Å
273E83Confident90.7Very high180 Ų18053.7 Ų53.784%0.84127%0.271SS*.THydrogen-bonded Turntrans-76.9-47.8-176.4-60.7-171.7168.900112D271D271-E273 VanDerWaalsContact C-N 3.33Å; D271-E273 PolarHBondContact O-N 2.98Å; D271-E273 PolarHBondContact OD1-N 3.02Å
274T84.3Confident90.4Very high77 Ų7758.7 Ų58.747%0.47229%0.294SS..THydrogen-bonded Turntrans-93-12.2-17465.60000113.6D271 K276D271-T274 WeakPolarHBondContact CB-OG1 3.46Å; D271-T274 VanDerWaalsContact OD1-CB 3.27Å; D271-T274 WeakPolarHBondContact OD1-CB 3.45Å; D271-T274 WeakPolarHBondContact OD1-CG2 3.24Å; D271-T274 PolarHBondContact OD1-N 3.47Å; D271-T274 PolarHBondContact OD1-OG1 2.9Å; T274-K276 PolarHBondContact O-N 2.97Å; T274-K276 VanDerWaalsContact O-N 3.15Å; T274-K276 WeakPolarHBondContact OG1-CB 3.41Å; T274-K276 PolarHBondContact OG1-N 2.74Å
275Q89.7Confident90.3Very high139 Ų13962.4 Ų62.465%0.6531%0.311SS*.  trans56.921.9-173.4-60.7-67.3-58.600113.2D271 V272D271-Q275 WeakPolarHBondContact O-CA 3.26Å; D271-Q275 PolarHBondContact O-N 3.3Å; V272-Q275 PolarHBondContact O-NE2 3.49Å
276K90.4Very high90.2Very high121 Ų12165.1 Ų65.153%0.52634%0.341SS..  trans-91.9141.9178.7-68.5-178.6177.6-178.90110.5V270 D271 T274 L278V270-K276 WeakPolarHBondContact CA-O 3.46Å; D271-K276 PolarHBondContact N-O 3.32Å; T274-K276 PolarHBondContact O-N 2.97Å; T274-K276 VanDerWaalsContact O-N 3.15Å; T274-K276 WeakPolarHBondContact OG1-CB 3.41Å; T274-K276 PolarHBondContact OG1-N 2.74Å; K276-L278 HydrophobicContact CB-CD2 4.19Å
277E94.6Very high89.9Confident98 Ų9868.1 Ų68.146%0.45837%0.371SS..EExtended strand (participates in β ladder)trans-75.2124.9166-173.5178.2-168.700109.4N141 L145 T268 F269N141-E277 PolarHBondContact ND2-O 3.4Å; L145-E277 HydrophobicContact CD1-CB 4.11Å; L145-E277 HydrophobicContact CD1-CG 3.94Å; L145-E277 WeakPolarHBondContact CD1-O 3.45Å; T268-E277 VanDerWaalsContact CB-OE1 3.29Å; T268-E277 WeakPolarHBondContact CB-OE1 3.5Å; T268-E277 HydrophobicContact CG2-CG 4.19Å; T268-E277 PolarHBondContact OG1-OE1 2.96Å; F269-E277 CarbonylContact O-C 3.56Å; F269-E277 WeakPolarHBondContact O-CA 3.37Å
278L94.1Very high89.8Confident10 Ų1073 Ų735%0.05239%0.393CS..EExtended strand (participates in β ladder)trans-123.8143.4-177.6-59.7-176.9000110.9N141 T268 F269 D271 K276 G280N141-L278 WeakPolarHBondContact ND2-CD2 3.4Å; N141-L278 WeakPolarHBondContact OD1-CA 3.32Å; T268-L278 CarbonylContact C-O 3.59Å; T268-L278 WeakPolarHBondContact CA-O 3.37Å; T268-L278 WeakPolarHBondContact CB-O 3.44Å; F269-L278 HydrophobicContact CD1-CB 4.37Å; F269-L278 HydrophobicContact CE1-CB 3.81Å; F269-L278 HydrophobicContact CE2-CB 4.3Å; F269-L278 HydrophobicContact CE2-CD1 4.15Å; F269-L278 HydrophobicContact CZ-CB 3.78Å; F269-L278 HydrophobicContact CZ-CD1 3.87Å; F269-L278 HydrophobicContact CZ-CG 4.41Å; F269-L278 PolarHBondContact N-O 3.28Å; F269-L278 PolarHBondContact O-N 3.36Å; D271-L278 HydrophobicContact CB-CD1 3.71Å; D271-L278 HydrophobicContact CB-CG 4.21Å; K276-L278 HydrophobicContact CB-CD2 4.19Å; L278-G280 PolarHBondContact O-N 3.38Å
279L94.4Very high89.7Confident2 Ų274 Ų741%0.0140%0.396CS..EExtended strand (participates in β ladder)trans-74115.4169.2-77.5166.4000110.5N141 L144 L145 P180 Y237 A262 I267 T268N141-L279 PolarHBondContact OD1-N 2.97Å; L144-L279 HydrophobicContact CB-CD1 3.89Å; L144-L279 HydrophobicContact CD1-CD1 3.51Å; L144-L279 HydrophobicContact CG-CD1 4.35Å; L145-L279 HydrophobicContact CD2-CD2 4.25Å; L145-L279 HydrophobicContact CD2-CG 4.21Å; P180-L279 HydrophobicContact CG-CB 4.08Å; Y237-L279 VanDerWaalsContact CE1-O 3.23Å; Y237-L279 WeakPolarHBondContact CE1-O 3.34Å; Y237-L279 PolarHBondContact OH-O 3.34Å; A262-L279 HydrophobicContact CB-CB 4.23Å; A262-L279 HydrophobicContact CB-CD2 4.49Å; I267-L279 WeakPolarHBondContact O-CA 3.38Å; T268-L279 HydrophobicContact CG2-CD2 3.95Å
280G92.9Very high89.6Confident0 Ų074.3 Ų74.30%040%0.399CS..  trans-160.7169.4174.700000112.4I267 L278I267-G280 CarbonylContact C-O 3.53Å; I267-G280 VanDerWaalsContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CG2-O 3.41Å; I267-G280 PolarHBondContact O-N 2.99Å; L278-G280 PolarHBondContact O-N 3.38Å
281S91.6Very high89.7Confident0 Ų070.9 Ų70.90%038%0.378CS..  trans-113.7137.1176.1-57.40000109.5L292S281-L292 WeakPolarHBondContact O-CB 3.49Å; S281-L292 PolarHBondContact O-N 3.09Å
282Y92.3Very high90Very high72 Ų7269.6 Ų69.628%0.28237%0.371SS..EExtended strand (participates in β ladder)trans-149.6167-175.359.1-92.3000110.4I267 T268 F269 I289 V290I267-Y282 HydrophobicContact CG2-CD1 4.32Å; I267-Y282 HydrophobicContact CG2-CE1 3.85Å; T268-Y282 WeakPolarHBondContact O-CE1 3.36Å; T268-Y282 PolarHBondContact O-OH 2.85Å; F269-Y282 HydrophobicContact CB-CD1 4.1Å; F269-Y282 HydrophobicContact CB-CE1 3.87Å; F269-Y282 HydrophobicContact CD1-CD1 4.48Å; Y282-I289 HydrophobicContact CD2-CB 3.63Å; Y282-I289 HydrophobicContact CD2-CG2 3.5Å; Y282-I289 HydrophobicContact CE2-CB 4.12Å; Y282-I289 HydrophobicContact CE2-CG2 3.45Å; Y282-I289 VanDerWaalsContact CE2-CG2 3.45Å; Y282-I289 HydrophobicContact CG-CB 4.07Å; Y282-I289 HydrophobicContact CG-CG2 4.3Å; Y282-V290 CarbonylContact C-O 3.58Å; Y282-V290 VanDerWaalsContact CA-O 3.31Å; Y282-V290 WeakPolarHBondContact CA-O 3.3Å; Y282-V290 VanDerWaalsContact CB-O 3.3Å; Y282-V290 WeakPolarHBondContact CB-O 3.29Å
283V91.2Very high90.4Very high36 Ų3663.9 Ų63.922%0.21834%0.336CS..EExtended strand (participates in β ladder)trans-108.7132.3171.4179.80000108.8Q285 V290 L292 A295 M302V283-Q285 HydrophobicContact CG1-CG 4.3Å; V283-Q285 PolarHBondContact O-N 3.21Å; V283-V290 PolarHBondContact N-O 3.47Å; V283-V290 PolarHBondContact O-N 3.47Å; V283-L292 HydrophobicContact CG2-CD1 4.13Å; V283-A295 HydrophobicContact CB-CB 3.96Å; V283-A295 HydrophobicContact CG2-CB 3.56Å; V283-M302 HydrophobicContact CG2-CE 3.86Å; V283-M302 HydrophobicContact CG2-SD 3.86Å
284Q88.1Confident90.8Very high105 Ų10558.3 Ų58.349%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-81.2116.3174-167.978.740.200109.2G286 E288Q284-G286 PolarHBondContact NE2-O 2.86Å; Q284-G286 VanDerWaalsContact NE2-O 3.11Å; Q284-E288 PolarHBondContact NE2-O 3.3Å
285Q86.8Confident91.3Very high94 Ų9454.9 Ų54.944%0.43929%0.29SS..EExtended strand (participates in β ladder)trans-114.894.9173-64.3-163.520.500109V283 S287 E288 V290V283-Q285 HydrophobicContact CG1-CG 4.3Å; V283-Q285 PolarHBondContact O-N 3.21Å; Q285-S287 PolarHBondContact O-N 3.42Å; Q285-E288 PolarHBondContact N-O 2.89Å; Q285-E288 PolarHBondContact O-N 2.92Å; Q285-E288 VanDerWaalsContact O-N 3.13Å; Q285-V290 HydrophobicContact CB-CG2 4.07Å; Q285-V290 HydrophobicContact CG-CB 4.49Å; Q285-V290 HydrophobicContact CG-CG2 3.78Å
286G86.8Confident91.4Very high69 Ų6948.5 Ų48.571%0.71126%0.26SS*.THydrogen-bonded Turntrans63.1-122.9-172.600000111.5Q284Q284-G286 PolarHBondContact NE2-O 2.86Å; Q284-G286 VanDerWaalsContact NE2-O 3.11Å
287S85.3Confident91.5Very high116 Ų11645.5 Ų45.581%0.81125%0.25SC*.THydrogen-bonded Turntrans-84.6-11177.2510000114.1Q285Q285-S287 PolarHBondContact O-N 3.42Å
288E89.3Confident91.4Very high139 Ų13947 Ų4765%0.6526%0.257SS*.EExtended strand (participates in β ladder)trans-101.8154.2-175-65.2-177.3169.100111.3Q284 Q285Q284-E288 PolarHBondContact NE2-O 3.3Å; Q285-E288 PolarHBondContact N-O 2.89Å; Q285-E288 PolarHBondContact O-N 2.92Å; Q285-E288 VanDerWaalsContact O-N 3.13Å
289I91.4Very high91.2Very high56 Ų5650.4 Ų50.429%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-104.8132.2170.763.2174.9000108.2F236 F269 Y282F236-I289 HydrophobicContact CE1-CD1 3.83Å; F236-I289 HydrophobicContact CE1-CG1 4.12Å; F236-I289 HydrophobicContact CZ-CD1 3.82Å; F236-I289 HydrophobicContact CZ-CG1 4.1Å; F269-I289 HydrophobicContact CB-CD1 3.62Å; F269-I289 HydrophobicContact CD2-CD1 4.02Å; F269-I289 HydrophobicContact CG-CD1 4.09Å; Y282-I289 HydrophobicContact CD2-CB 3.63Å; Y282-I289 HydrophobicContact CD2-CG2 3.5Å; Y282-I289 HydrophobicContact CE2-CB 4.12Å; Y282-I289 HydrophobicContact CE2-CG2 3.45Å; Y282-I289 VanDerWaalsContact CE2-CG2 3.45Å; Y282-I289 HydrophobicContact CG-CB 4.07Å; Y282-I289 HydrophobicContact CG-CG2 4.3Å
290V91.9Very high91Very high15 Ų1554.3 Ų54.39%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-111.6128.4178.6-179.40000108.3Y282 V283 Q285 L292 E294 A295Y282-V290 CarbonylContact C-O 3.58Å; Y282-V290 VanDerWaalsContact CA-O 3.31Å; Y282-V290 WeakPolarHBondContact CA-O 3.3Å; Y282-V290 VanDerWaalsContact CB-O 3.3Å; Y282-V290 WeakPolarHBondContact CB-O 3.29Å; V283-V290 PolarHBondContact N-O 3.47Å; V283-V290 PolarHBondContact O-N 3.47Å; Q285-V290 HydrophobicContact CB-CG2 4.07Å; Q285-V290 HydrophobicContact CG-CB 4.49Å; Q285-V290 HydrophobicContact CG-CG2 3.78Å; V290-L292 PolarHBondContact O-N 3.07Å; V290-E294 HydrophobicContact CG1-CB 3.99Å; V290-E294 HydrophobicContact CG1-CG 3.94Å; V290-A295 HydrophobicContact CG1-CB 4.26Å
291P93.5Very high90.8Very high10 Ų1063.2 Ų63.27%0.06534%0.339CS..EExtended strand (participates in β ladder)trans-46.6138.6172.2-30.536.3000112.6D235 F236 G293 E294 A295D235-P291 HydrophobicContact CB-CG 4.01Å; F236-P291 HydrophobicContact CD1-CB 4.32Å; F236-P291 HydrophobicContact CD1-CG 4.14Å; F236-P291 HydrophobicContact CE1-CG 4.05Å; F236-P291 HydrophobicContact CE2-CG 4.49Å; F236-P291 HydrophobicContact CG-CG 4.4Å; F236-P291 HydrophobicContact CZ-CG 4.23Å; P291-G293 VanDerWaalsContact C-N 3.28Å; P291-G293 PolarHBondContact O-N 3Å; P291-E294 HydrophobicContact CB-CB 4.25Å; P291-E294 WeakPolarHBondContact CD-OE2 3.49Å; P291-E294 PolarHBondContact O-N 3.33Å; P291-E294 VanDerWaalsContact O-N 3.15Å; P291-A295 PolarHBondContact O-N 3.02Å
292L93.9Very high90.6Very high2 Ų265.3 Ų65.31%0.0135%0.349CS..Hα-helixtrans-59.5-38.9-175.1-178.163.5000112.9F254 V258 W261 S281 V283 V290 A295 L296 M302 L304 L325F254-L292 HydrophobicContact CZ-CD2 4.39Å; F254-L292 HydrophobicContact CZ-CG 4.34Å; V258-L292 HydrophobicContact CG2-CD2 4.27Å; W261-L292 HydrophobicContact CE3-CD2 4.09Å; W261-L292 HydrophobicContact CZ3-CD1 4.45Å; W261-L292 HydrophobicContact CZ3-CD2 3.8Å; S281-L292 WeakPolarHBondContact O-CB 3.49Å; S281-L292 PolarHBondContact O-N 3.09Å; V283-L292 HydrophobicContact CG2-CD1 4.13Å; V290-L292 PolarHBondContact O-N 3.07Å; L292-A295 PolarHBondContact O-N 2.87Å; L292-L296 HydrophobicContact CD1-CD1 4.31Å; L292-L296 HydrophobicContact CD1-CG 4.43Å; L292-L296 HydrophobicContact CG-CD1 4.01Å; L292-L296 WeakPolarHBondContact O-CB 3.37Å; L292-L296 WeakPolarHBondContact O-CG 3.24Å; L292-L296 PolarHBondContact O-N 2.95Å; L292-M302 HydrophobicContact CD1-CE 4.1Å; L292-L304 HydrophobicContact CD1-CD2 3.71Å; L292-L304 HydrophobicContact CD2-CD1 4.49Å; L292-L325 HydrophobicContact CD2-CD1 4.16Å; L292-L325 HydrophobicContact CD2-CD2 3.99Å
293G92.9Very high90.2Very high0 Ų069.8 Ų69.80%037%0.373CS..Hα-helixtrans-62.8-41177.900000112.9M238 P240 P291 L296 L297M238-G293 WeakPolarHBondContact O-CA 3.35Å; P240-G293 WeakPolarHBondContact CG-O 3.31Å; P291-G293 VanDerWaalsContact C-N 3.28Å; P291-G293 PolarHBondContact O-N 3Å; G293-L296 PolarHBondContact O-N 3.07Å; G293-L297 PolarHBondContact O-N 3.36Å
294E92.5Very high89.8Confident64 Ų6468.8 Ų68.830%0.29937%0.366SS..Hα-helixtrans-65.7-47176.6-176.9179177.200111.2V290 P291 L296 L297 E298V290-E294 HydrophobicContact CG1-CB 3.99Å; V290-E294 HydrophobicContact CG1-CG 3.94Å; P291-E294 HydrophobicContact CB-CB 4.25Å; P291-E294 WeakPolarHBondContact CD-OE2 3.49Å; P291-E294 PolarHBondContact O-N 3.33Å; P291-E294 VanDerWaalsContact O-N 3.15Å; E294-L296 VanDerWaalsContact C-N 3.26Å; E294-L296 PolarHBondContact O-N 2.85Å; E294-L297 VanDerWaalsContact O-CB 3.31Å; E294-L297 WeakPolarHBondContact O-CB 3.31Å; E294-L297 PolarHBondContact O-N 3.17Å; E294-E298 PolarHBondContact O-N 3.21Å
295A92.9Very high89.3Confident4 Ų470.3 Ų70.33%0.03338%0.377CS..Hα-helixtrans-61.8-34177.100000113V283 V290 P291 L292 N299 M302V283-A295 HydrophobicContact CB-CB 3.96Å; V283-A295 HydrophobicContact CG2-CB 3.56Å; V290-A295 HydrophobicContact CG1-CB 4.26Å; P291-A295 PolarHBondContact O-N 3.02Å; L292-A295 PolarHBondContact O-N 2.87Å; A295-N299 PolarHBondContact O-N 2.91Å; A295-M302 HydrophobicContact CB-CE 3.82Å; A295-M302 HydrophobicContact CB-SD 4.42Å
296L93.4Very high88.6Confident5 Ų566 Ų663%0.02636%0.357CS..Hα-helixtrans-74.8-27.9174.5-77.6170.4000112.9P240 F254 L292 G293 E294 N299 P300 M302 L304 A327P240-L296 HydrophobicContact CG-CB 3.71Å; P240-L296 HydrophobicContact CG-CD1 4.45Å; F254-L296 HydrophobicContact CE2-CD1 3.67Å; F254-L296 HydrophobicContact CZ-CD1 3.86Å; L292-L296 HydrophobicContact CD1-CD1 4.31Å; L292-L296 HydrophobicContact CD1-CG 4.43Å; L292-L296 HydrophobicContact CG-CD1 4.01Å; L292-L296 WeakPolarHBondContact O-CB 3.37Å; L292-L296 WeakPolarHBondContact O-CG 3.24Å; L292-L296 PolarHBondContact O-N 2.95Å; G293-L296 PolarHBondContact O-N 3.07Å; E294-L296 VanDerWaalsContact C-N 3.26Å; E294-L296 PolarHBondContact O-N 2.85Å; L296-N299 CarbonylContact O-C 3.56Å; L296-N299 VanDerWaalsContact O-C 3.25Å; L296-P300 WeakPolarHBondContact O-CA 3.22Å; L296-P300 VanDerWaalsContact O-N 3.09Å; L296-M302 HydrophobicContact CD2-CB 4.22Å; L296-M302 HydrophobicContact CD2-CE 3.63Å; L296-M302 HydrophobicContact CG-CE 3.69Å; L296-L304 HydrophobicContact CD1-CD1 4.49Å; L296-L304 HydrophobicContact CD2-CD2 4.27Å; L296-A327 HydrophobicContact CB-CB 4.45Å
297L91.6Very high87.5Confident59 Ų5965.5 Ų65.531%0.30934%0.341SS..Hα-helixtrans-66.4-45.3171.7-176.965.8000110.5P240 W243 E244 G293 E294P240-L297 HydrophobicContact CB-CB 4.11Å; P240-L297 HydrophobicContact CB-CD1 4.4Å; W243-L297 HydrophobicContact CB-CD2 3.77Å; W243-L297 HydrophobicContact CG-CD2 4.3Å; E244-L297 HydrophobicContact CG-CD1 3.94Å; E244-L297 WeakPolarHBondContact OE1-CD1 3.46Å; G293-L297 PolarHBondContact O-N 3.36Å; E294-L297 VanDerWaalsContact O-CB 3.31Å; E294-L297 WeakPolarHBondContact O-CB 3.31Å; E294-L297 PolarHBondContact O-N 3.17Å
298E91.6Very high86Confident130 Ų13063.7 Ų63.761%0.60733%0.333SS*.Hα-helixtrans-67.5-39.1177.2-65.9-172.5149.700112.7E294E294-E298 PolarHBondContact O-N 3.21Å
299N91.8Very high84.5Confident81 Ų8165.5 Ų65.543%0.43333%0.334SS..  trans-132.984.7178.9-1767.4000111.8A295 L296 K301 M302A295-N299 PolarHBondContact O-N 2.91Å; L296-N299 CarbonylContact O-C 3.56Å; L296-N299 VanDerWaalsContact O-C 3.25Å; N299-K301 PolarHBondContact O-N 3.09Å; N299-K301 PolarHBondContact OD1-N 3.3Å; N299-M302 HydrophobicContact CB-CB 4.21Å; N299-M302 WeakPolarHBondContact O-CB 3.29Å; N299-M302 PolarHBondContact O-N 3.46Å; N299-M302 PolarHBondContact OD1-N 3.22Å
300P90Very high82.7Confident84 Ų8472.8 Ų72.855%0.54536%0.364SS..THydrogen-bonded Turntrans-62.2-16.6-178.6-26.535.3000115L296 A327L296-P300 WeakPolarHBondContact O-CA 3.22Å; L296-P300 VanDerWaalsContact O-N 3.09Å; P300-A327 HydrophobicContact CB-CB 4.03Å
301K88Confident81.3Confident187 Ų18779.8 Ų79.881%0.81339%0.393SS*.THydrogen-bonded Turntrans-98.67.7178.1-64.1-176.2-179.41780112.9N299 E303N299-K301 PolarHBondContact O-N 3.09Å; N299-K301 PolarHBondContact OD1-N 3.3Å; K301-E303 PolarHBondContact O-N 3.42Å
302M88.2Confident79.9Confident44 Ų4480.7 Ų80.722%0.21740%0.4CS..  trans-57.8122.1178.2-179.7173.657.400110.4V283 L292 A295 L296 N299 L304V283-M302 HydrophobicContact CG2-CE 3.86Å; V283-M302 HydrophobicContact CG2-SD 3.86Å; L292-M302 HydrophobicContact CD1-CE 4.1Å; A295-M302 HydrophobicContact CB-CE 3.82Å; A295-M302 HydrophobicContact CB-SD 4.42Å; L296-M302 HydrophobicContact CD2-CB 4.22Å; L296-M302 HydrophobicContact CD2-CE 3.63Å; L296-M302 HydrophobicContact CG-CE 3.69Å; N299-M302 HydrophobicContact CB-CB 4.21Å; N299-M302 WeakPolarHBondContact O-CB 3.29Å; N299-M302 PolarHBondContact O-N 3.46Å; N299-M302 PolarHBondContact OD1-N 3.22Å; M302-L304 HydrophobicContact CE-CD2 3.85Å; M302-L304 PolarHBondContact O-N 3.29Å
303E83.5Confident79Confident166 Ų16682.4 Ų82.478%0.77641%0.408SS*.  trans-77.1112.7175.8-71.8-168.3177.700110.7K301 L305K301-E303 PolarHBondContact O-N 3.42Å; E303-L305 PolarHBondContact O-N 3.48Å; E303-L305 VanDerWaalsContact O-N 3.1Å
304L82.5Confident78.4Confident15 Ų1584.2 Ų84.28%0.07942%0.418CS..  trans-72106.7173.5-56-176000110.1W261 L292 L296 M302 I306 R322 L325W261-L304 HydrophobicContact CH2-CB 4.32Å; W261-L304 HydrophobicContact CZ3-CB 4.46Å; W261-L304 HydrophobicContact CZ3-CD1 4.31Å; W261-L304 HydrophobicContact CZ3-CD2 4.48Å; L292-L304 HydrophobicContact CD1-CD2 3.71Å; L292-L304 HydrophobicContact CD2-CD1 4.49Å; L296-L304 HydrophobicContact CD1-CD1 4.49Å; L296-L304 HydrophobicContact CD2-CD2 4.27Å; M302-L304 HydrophobicContact CE-CD2 3.85Å; M302-L304 PolarHBondContact O-N 3.29Å; L304-I306 HydrophobicContact CB-CG1 4.48Å; L304-I306 PolarHBondContact O-N 2.98Å; L304-R322 PolarHBondContact O-NH2 3.32Å; L304-L325 HydrophobicContact CD1-CB 3.64Å; L304-L325 HydrophobicContact CD1-CD1 3.93Å; L304-L325 HydrophobicContact CD1-CG 4.42Å
305L77.5Confident78.1Confident137 Ų13785.5 Ų85.572%0.71743%0.434SS*.  trans-79.772.9173-65.6178.4000110.1E303 P307E303-L305 PolarHBondContact O-N 3.48Å; E303-L305 VanDerWaalsContact O-N 3.1Å; L305-P307 WeakPolarHBondContact O-CD 3.27Å; L305-P307 VanDerWaalsContact O-N 3.1Å
306I72.1Confident77.9Confident2 Ų289.6 Ų89.61%0.0145%0.452CS..  trans-64.5109.4171.2-60.2166.2000107.8W261 L304 A308 M313 K318 I321 R322W261-I306 HydrophobicContact CD2-CG1 4.02Å; W261-I306 HydrophobicContact CE3-CG1 4.44Å; W261-I306 HydrophobicContact CH2-CG1 4.18Å; W261-I306 HydrophobicContact CZ2-CB 4.23Å; W261-I306 HydrophobicContact CZ2-CG1 3.73Å; L304-I306 HydrophobicContact CB-CG1 4.48Å; L304-I306 PolarHBondContact O-N 2.98Å; I306-A308 PolarHBondContact O-N 2.88Å; I306-M313 HydrophobicContact CG2-CE 3.63Å; I306-K318 HydrophobicContact CB-CG 4.48Å; I306-K318 HydrophobicContact CG2-CG 4.31Å; I306-K318 WeakPolarHBondContact O-CE 3.29Å; I306-K318 PolarHBondContact O-NZ 3.32Å; I306-I321 HydrophobicContact CD1-CB 4.4Å; I306-I321 HydrophobicContact CD1-CG2 3.85Å; I306-R322 HydrophobicContact CD1-CB 4.14Å
307P63.5Low77.7Confident60 Ų6089.8 Ų89.839%0.3945%0.453SS..  trans-58.6131-174.2-21.832.9000110.1L305 R309L305-P307 WeakPolarHBondContact O-CD 3.27Å; L305-P307 VanDerWaalsContact O-N 3.1Å; P307-R309 VanDerWaalsContact C-N 3.25Å; P307-R309 PolarHBondContact O-N 3.29Å
308A53Low77.6Confident78 Ų7889.4 Ų89.465%0.64545%0.448SS*.  trans-91.559.6172.500000109.2I306 K310I306-A308 PolarHBondContact O-N 2.88Å; A308-K310 PolarHBondContact O-N 2.92Å
309R58.8Low77.7Confident176 Ų17687.2 Ų87.266%0.66444%0.438SS*.  trans-54.5118.3172-81.3-176.7173170.91.1106.8P307 K311 S312P307-R309 VanDerWaalsContact C-N 3.25Å; P307-R309 PolarHBondContact O-N 3.29Å; R309-K311 PolarHBondContact O-N 3.01Å; R309-S312 PolarHBondContact O-N 3.27Å; R309-S312 PolarHBondContact O-OG 2.9Å
310K54.1Low77.8Confident209 Ų20983.3 Ų83.391%0.90942%0.418SS*.THydrogen-bonded Turntrans-52.3116.9-173.3-85.1179.8176.4176.80108.5A308A308-K310 PolarHBondContact O-N 2.92Å
311K61.8Low78.1Confident163 Ų16379.3 Ų79.371%0.70939%0.392SS*.THydrogen-bonded Turntrans84.88.1-177.7-47.5179.6176-175.20117.9R151 R309R151-K311 VanDerWaalsContact CD-O 3.23Å; R151-K311 WeakPolarHBondContact CD-O 3.41Å; R151-K311 PolarHBondContact NE-O 3.02Å; R151-K311 PolarHBondContact NH1-O 3.4Å; R151-K311 VanDerWaalsContact NH1-O 3.09Å; R151-K311 PolarHBondContact NH2-O 3.27Å; R309-K311 PolarHBondContact O-N 3.01Å
312S64.2Low78.3Confident29 Ų2975 Ų7520%0.20337%0.37CS..SBendtrans-75.8-38.5173.170.10000112.7E265 R309E265-S312 VanDerWaalsContact OE1-CB 3.27Å; E265-S312 WeakPolarHBondContact OE1-CB 3.07Å; E265-S312 PolarHBondContact OE1-OG 3.13Å; R309-S312 PolarHBondContact O-N 3.27Å; R309-S312 PolarHBondContact O-OG 2.9Å
313M74.3Confident78.7Confident38 Ų3875.2 Ų75.219%0.18737%0.371CS..  trans-157.1145.2-169.3-176.716954.300112.7V264 I306 M317 K318 I321V264-M313 HydrophobicContact CG1-CB 3.92Å; V264-M313 HydrophobicContact CG1-CE 4.47Å; V264-M313 HydrophobicContact CG1-SD 4.18Å; I306-M313 HydrophobicContact CG2-CE 3.63Å; M313-M317 HydrophobicContact CG-CB 3.56Å; M313-M317 HydrophobicContact CG-CG 3.63Å; M313-M317 HydrophobicContact SD-CB 3.86Å; M313-M317 HydrophobicContact SD-CG 3.39Å; M313-M317 WeakPolarHBondContact SD-CG 3.15Å; M313-K318 HydrophobicContact CE-CB 3.85Å; M313-K318 HydrophobicContact CE-CG 4.15Å; M313-I321 HydrophobicContact CE-CD1 4.23Å; M313-I321 HydrophobicContact SD-CD1 3.51Å; M313-I321 VanDerWaalsContact SD-CD1 3.51Å
314N81.4Confident79.4Confident38 Ų3867.3 Ų67.320%0.20333%0.334CS..  trans-79.1163.917677.554.2000112.8H316 M317 K318 I345 E349N314-H316 VanDerWaalsContact C-N 3.3Å; N314-H316 PolarHBondContact O-N 2.73Å; N314-H316 WeakPolarHBondContact OD1-CA 3.38Å; N314-H316 WeakPolarHBondContact OD1-CB 3.49Å; N314-H316 PolarHBondContact OD1-N 2.91Å; N314-M317 PolarHBondContact O-N 3.08Å; N314-M317 PolarHBondContact OD1-N 2.61Å; N314-K318 PolarHBondContact O-N 2.67Å; N314-I345 WeakPolarHBondContact ND2-CG2 3.31Å; N314-E349 VanDerWaalsContact ND2-CD 3.34Å; N314-E349 WeakPolarHBondContact ND2-CG 3.14Å; N314-E349 PolarHBondContact ND2-OE1 3.41Å
315S85.8Confident80Confident90 Ų9066.7 Ų66.763%0.62933%0.33SS*.Hα-helixtrans-62.6-32.7-177.254.50000114.1Q319S315-Q319 WeakPolarHBondContact O-CB 3.41Å; S315-Q319 PolarHBondContact O-N 3.24Å
316H89.7Confident80.8Confident91 Ų9161 Ų6142%0.42130%0.303SS..Hα-helixtrans-72.8-41.5-179.6-61.283.2000111.6N314 Q319 L320 I345 R348N314-H316 VanDerWaalsContact C-N 3.3Å; N314-H316 PolarHBondContact O-N 2.73Å; N314-H316 WeakPolarHBondContact OD1-CA 3.38Å; N314-H316 WeakPolarHBondContact OD1-CB 3.49Å; N314-H316 PolarHBondContact OD1-N 2.91Å; H316-Q319 PolarHBondContact O-N 3.32Å; H316-L320 WeakPolarHBondContact O-CB 3.47Å; H316-L320 PolarHBondContact O-N 2.96Å; H316-I345 HydrophobicContact CB-CD1 4.05Å; H316-I345 HydrophobicContact CB-CG1 3.82Å; H316-I345 HydrophobicContact CB-CG2 4.48Å; H316-R348 PolarHBondContact NE2-NH1 3.21Å
317M89.6Confident81.8Confident8 Ų862 Ų624%0.03931%0.311CS..Hα-helixtrans-65.5-41.4174.6-175.263.674.400110.7M158 M313 N314 Q319 L320 I321 L342 I345M158-M317 HydrophobicContact SD-CE 3.46Å; M158-M317 WeakPolarHBondContact SD-CE 3.36Å; M158-M317 HydrophobicContact SD-CG 4.4Å; M158-M317 HydrophobicContact SD-SD 3.66Å; M158-M317 VanDerWaalsContact SD-SD 3.66Å; M313-M317 HydrophobicContact CG-CB 3.56Å; M313-M317 HydrophobicContact CG-CG 3.63Å; M313-M317 HydrophobicContact SD-CB 3.86Å; M313-M317 HydrophobicContact SD-CG 3.39Å; M313-M317 WeakPolarHBondContact SD-CG 3.15Å; N314-M317 PolarHBondContact O-N 3.08Å; N314-M317 PolarHBondContact OD1-N 2.61Å; M317-Q319 VanDerWaalsContact C-N 3.29Å; M317-Q319 PolarHBondContact O-N 3.45Å; M317-L320 PolarHBondContact O-N 3.33Å; M317-L320 HydrophobicContact SD-CD2 4.24Å; M317-I321 HydrophobicContact CG-CD1 4.22Å; M317-I321 WeakPolarHBondContact O-CG1 3.45Å; M317-I321 PolarHBondContact O-N 2.82Å; M317-I321 HydrophobicContact SD-CG1 4.46Å; M317-L342 HydrophobicContact CE-CD2 3.69Å; M317-L342 HydrophobicContact SD-CD2 4Å; M317-I345 HydrophobicContact CB-CG2 4.24Å; M317-I345 HydrophobicContact CE-CG2 4Å
318K89.4Confident83.2Confident51 Ų5162.4 Ų62.422%0.22231%0.31CS..Hα-helixtrans-56.7-45.1173.6-174.5176.6-177.9165.30111.8I306 M313 N314 R322I306-K318 HydrophobicContact CB-CG 4.48Å; I306-K318 HydrophobicContact CG2-CG 4.31Å; I306-K318 WeakPolarHBondContact O-CE 3.29Å; I306-K318 PolarHBondContact O-NZ 3.32Å; M313-K318 HydrophobicContact CE-CB 3.85Å; M313-K318 HydrophobicContact CE-CG 4.15Å; N314-K318 PolarHBondContact O-N 2.67Å; K318-R322 WeakPolarHBondContact O-CB 3.47Å; K318-R322 PolarHBondContact O-N 3.13Å; K318-R322 VanDerWaalsContact O-N 3.08Å
319Q92.3Very high85.1Confident84 Ų8460 Ų6039%0.39329%0.288SS..Hα-helixtrans-65.6-43.4178.5-177.157.434.200111.5S315 H316 M317 R322 E323S315-Q319 WeakPolarHBondContact O-CB 3.41Å; S315-Q319 PolarHBondContact O-N 3.24Å; H316-Q319 PolarHBondContact O-N 3.32Å; M317-Q319 VanDerWaalsContact C-N 3.29Å; M317-Q319 PolarHBondContact O-N 3.45Å; Q319-R322 PolarHBondContact O-N 3.45Å; Q319-E323 VanDerWaalsContact CG-OE1 3.32Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.44Å; Q319-E323 PolarHBondContact NE2-OE1 3.09Å; Q319-E323 WeakPolarHBondContact O-CG 3.22Å; Q319-E323 PolarHBondContact O-N 3.4Å
320L95Very high86.7Confident0 Ų058.9 Ų58.90%029%0.29CS..Hα-helixtrans-59.9-49.6176.3176.461.5000111.9H316 M317 R322 E323 M324 P333 L338 R341 L342 I345H316-L320 WeakPolarHBondContact O-CB 3.47Å; H316-L320 PolarHBondContact O-N 2.96Å; M317-L320 PolarHBondContact O-N 3.33Å; M317-L320 HydrophobicContact SD-CD2 4.24Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 3.42Å; L320-E323 PolarHBondContact O-N 3.26Å; L320-E323 VanDerWaalsContact O-N 3.16Å; L320-M324 HydrophobicContact CD1-CG 4.29Å; L320-M324 HydrophobicContact CD1-SD 4.36Å; L320-M324 HydrophobicContact CG-CG 4.47Å; L320-M324 HydrophobicContact CG-SD 4.02Å; L320-M324 VanDerWaalsContact O-CG 3.28Å; L320-M324 WeakPolarHBondContact O-CG 3.46Å; L320-M324 PolarHBondContact O-N 3.3Å; L320-P333 HydrophobicContact CD1-CG 4.2Å; L320-L338 HydrophobicContact CD1-CD1 3.89Å; L320-L338 HydrophobicContact CD2-CD1 3.85Å; L320-L338 HydrophobicContact CG-CD1 4.14Å; L320-R341 HydrophobicContact CD1-CB 4.47Å; L320-R341 HydrophobicContact CD2-CB 4.36Å; L320-L342 HydrophobicContact CD2-CD2 3.7Å; L320-L342 HydrophobicContact CD2-CG 3.99Å; L320-I345 HydrophobicContact CB-CD1 4.23Å; L320-I345 HydrophobicContact CD2-CD1 3.87Å
321I94.8Very high88.6Confident0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-58.7-40.9177.3-69.2177.9000110.8F260 W261 I306 M313 M317 E323 M324 L325F260-I321 HydrophobicContact CB-CD1 3.94Å; F260-I321 HydrophobicContact CB-CG1 4.12Å; W261-I321 HydrophobicContact CB-CG2 3.94Å; W261-I321 HydrophobicContact CG-CG2 4.41Å; I306-I321 HydrophobicContact CD1-CB 4.4Å; I306-I321 HydrophobicContact CD1-CG2 3.85Å; M313-I321 HydrophobicContact CE-CD1 4.23Å; M313-I321 HydrophobicContact SD-CD1 3.51Å; M313-I321 VanDerWaalsContact SD-CD1 3.51Å; M317-I321 HydrophobicContact CG-CD1 4.22Å; M317-I321 WeakPolarHBondContact O-CG1 3.45Å; M317-I321 PolarHBondContact O-N 2.82Å; M317-I321 HydrophobicContact SD-CG1 4.46Å; I321-E323 VanDerWaalsContact C-N 3.33Å; I321-E323 PolarHBondContact O-N 2.9Å; I321-M324 PolarHBondContact O-N 3.49Å; I321-L325 HydrophobicContact CG2-CD1 3.77Å; I321-L325 HydrophobicContact CG2-CG 4.41Å; I321-L325 WeakPolarHBondContact O-CB 2.96Å; I321-L325 VanDerWaalsContact O-CG 3.31Å; I321-L325 WeakPolarHBondContact O-CG 3.29Å; I321-L325 PolarHBondContact O-N 2.64Å
322R93.9Very high90.2Very high95 Ų9547.1 Ų47.136%0.35824%0.241SC..Hα-helixtrans-64-38178.7-169.6176.8-90.8158.1-18112.3L304 I306 K318 Q319 L320 L325 S326L304-R322 PolarHBondContact O-NH2 3.32Å; I306-R322 HydrophobicContact CD1-CB 4.14Å; K318-R322 WeakPolarHBondContact O-CB 3.47Å; K318-R322 PolarHBondContact O-N 3.13Å; K318-R322 VanDerWaalsContact O-N 3.08Å; Q319-R322 PolarHBondContact O-N 3.45Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 3.42Å; R322-L325 PolarHBondContact O-N 3.3Å; R322-S326 PolarHBondContact O-N 3.01Å
323E95.7Very high91.8Very high49 Ų4945.9 Ų45.923%0.22923%0.232CC..Hα-helixtrans-70.6-40.2174.7-71.2166-159.200112.2Q319 L320 I321 L325 S326 R332 R341Q319-E323 VanDerWaalsContact CG-OE1 3.32Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.44Å; Q319-E323 PolarHBondContact NE2-OE1 3.09Å; Q319-E323 WeakPolarHBondContact O-CG 3.22Å; Q319-E323 PolarHBondContact O-N 3.4Å; L320-E323 PolarHBondContact O-N 3.26Å; L320-E323 VanDerWaalsContact O-N 3.16Å; I321-E323 VanDerWaalsContact C-N 3.33Å; I321-E323 PolarHBondContact O-N 2.9Å; E323-L325 PolarHBondContact O-N 2.81Å; E323-S326 WeakPolarHBondContact O-CB 3.11Å; E323-S326 PolarHBondContact O-N 3.29Å; E323-S326 VanDerWaalsContact O-N 3.15Å; E323-R332 WeakPolarHBondContact O-CG 3.43Å; E323-R341 IonicContact OE1-NH2 3.39Å; E323-R341 IonicContact OE2-CZ 3.37Å; E323-R341 IonicContact OE2-NH1 3.96Å; E323-R341 PolarHBondContact OE2-NH1 3.01Å; E323-R341 IonicContact OE2-NH2 2.83Å; E323-R341 PolarHBondContact OE2-NH2 3.3Å
324M97.4Very high92.9Very high0 Ų046.8 Ų46.80%024%0.237CC..Hα-helixtrans-59.2-34173.5-66.8169.274.900112I253 F254 L256 G257 F260 L320 I321 R332 P333 L338I253-M324 HydrophobicContact CG2-CB 4.11Å; I253-M324 HydrophobicContact CG2-CE 4.41Å; I253-M324 HydrophobicContact CG2-CG 3.94Å; I253-M324 WeakPolarHBondContact O-CE 2.95Å; F254-M324 WeakPolarHBondContact CA-O 3.43Å; L256-M324 HydrophobicContact CB-CE 3.59Å; G257-M324 VanDerWaalsContact N-CE 3.35Å; F260-M324 HydrophobicContact CD2-CE 3.81Å; F260-M324 HydrophobicContact CD2-SD 3.94Å; F260-M324 HydrophobicContact CE2-CE 3.79Å; F260-M324 HydrophobicContact CE2-SD 4.16Å; L320-M324 HydrophobicContact CD1-CG 4.29Å; L320-M324 HydrophobicContact CD1-SD 4.36Å; L320-M324 HydrophobicContact CG-CG 4.47Å; L320-M324 HydrophobicContact CG-SD 4.02Å; L320-M324 VanDerWaalsContact O-CG 3.28Å; L320-M324 WeakPolarHBondContact O-CG 3.46Å; L320-M324 PolarHBondContact O-N 3.3Å; I321-M324 PolarHBondContact O-N 3.49Å; M324-R332 WeakPolarHBondContact O-CD 3.39Å; M324-P333 HydrophobicContact CG-CG 4.17Å; M324-L338 HydrophobicContact CE-CD1 3.88Å; M324-L338 HydrophobicContact CE-CD2 3.82Å; M324-L338 HydrophobicContact CG-CD1 4.27Å; M324-L338 HydrophobicContact SD-CD1 3.6Å
325L96.3Very high93.6Very high2 Ų245.1 Ų45.11%0.0123%0.229CC..THydrogen-bonded Turntrans-91.113.2179.7-65.6175000113.8F254 V258 W261 L292 L304 I321 R322 E323 A327F254-L325 HydrophobicContact CD2-CD2 4.06Å; F254-L325 HydrophobicContact CE1-CD2 4.38Å; F254-L325 HydrophobicContact CE2-CB 4.41Å; F254-L325 HydrophobicContact CE2-CD2 3.86Å; F254-L325 HydrophobicContact CG-CD2 4.4Å; F254-L325 HydrophobicContact CZ-CD2 4.03Å; V258-L325 HydrophobicContact CG2-CD2 3.76Å; W261-L325 HydrophobicContact CD2-CD1 4.35Å; W261-L325 HydrophobicContact CE3-CD1 3.51Å; W261-L325 HydrophobicContact CZ3-CD1 4.1Å; L292-L325 HydrophobicContact CD2-CD1 4.16Å; L292-L325 HydrophobicContact CD2-CD2 3.99Å; L304-L325 HydrophobicContact CD1-CB 3.64Å; L304-L325 HydrophobicContact CD1-CD1 3.93Å; L304-L325 HydrophobicContact CD1-CG 4.42Å; I321-L325 HydrophobicContact CG2-CD1 3.77Å; I321-L325 HydrophobicContact CG2-CG 4.41Å; I321-L325 WeakPolarHBondContact O-CB 2.96Å; I321-L325 VanDerWaalsContact O-CG 3.31Å; I321-L325 WeakPolarHBondContact O-CG 3.29Å; I321-L325 PolarHBondContact O-N 2.64Å; R322-L325 PolarHBondContact O-N 3.3Å; E323-L325 PolarHBondContact O-N 2.81Å; L325-A327 PolarHBondContact O-N 2.62Å
326S95.1Very high94.1Very high19 Ų1947.7 Ų47.713%0.13323%0.229CC..  trans-60.9137.3175.2179.70000110.9R322 E323 N328 E331 R332R322-S326 PolarHBondContact O-N 3.01Å; E323-S326 WeakPolarHBondContact O-CB 3.11Å; E323-S326 PolarHBondContact O-N 3.29Å; E323-S326 VanDerWaalsContact O-N 3.15Å; S326-N328 PolarHBondContact O-N 2.84Å; S326-N328 PolarHBondContact OG-N 2.85Å; S326-N328 PolarHBondContact OG-O 3.18Å; S326-E331 PolarHBondContact OG-OE2 3.49Å; S326-R332 VanDerWaalsContact O-CZ 3.29Å; S326-R332 PolarHBondContact O-NE 3.46Å; S326-R332 PolarHBondContact O-NH2 3.38Å
327A92.9Very high94.4Very high22 Ų2247.2 Ų47.218%0.18223%0.227CC..SBendtrans-62.3-33.8172.700000111.4L296 P300 L325 P329L296-A327 HydrophobicContact CB-CB 4.45Å; P300-A327 HydrophobicContact CB-CB 4.03Å; L325-A327 PolarHBondContact O-N 2.62Å; A327-P329 WeakPolarHBondContact O-CD 3.44Å
328N92.4Very high94.8Very high69 Ų6946.8 Ų46.837%0.36923%0.225SC..SBendtrans-83.4114.1174.8-179.60.5000110.4S326 Q330 E331S326-N328 PolarHBondContact O-N 2.84Å; S326-N328 PolarHBondContact OG-N 2.85Å; S326-N328 PolarHBondContact OG-O 3.18Å; N328-Q330 PolarHBondContact O-N 3.32Å; N328-Q330 VanDerWaalsContact O-N 3.08Å; N328-Q330 PolarHBondContact OD1-N 3.47Å; N328-Q330 VanDerWaalsContact OD1-N 3.13Å; N328-E331 HydrophobicContact CB-CG 4.07Å; N328-E331 PolarHBondContact ND2-OE1 3.26Å; N328-E331 PolarHBondContact O-N 3.34Å
329P92.8Very high95.2Very high28 Ų2846.9 Ų46.918%0.18223%0.226CC..THydrogen-bonded Turntrans-62.8-21.6-176.7-22.435000114E241 K250 A327 E331 R332E241-P329 HydrophobicContact CB-CG 4.23Å; E241-P329 HydrophobicContact CG-CG 3.88Å; E241-P329 WeakPolarHBondContact OE1-CG 3.41Å; K250-P329 HydrophobicContact CB-CB 3.93Å; K250-P329 HydrophobicContact CG-CB 4.39Å; K250-P329 WeakPolarHBondContact CG-O 3.42Å; K250-P329 PolarHBondContact NZ-O 2.04Å; A327-P329 WeakPolarHBondContact O-CD 3.44Å; P329-E331 VanDerWaalsContact C-N 3.31Å; P329-R332 PolarHBondContact O-N 2.88Å
330Q91.9Very high95.4Very high152 Ų15246.3 Ų46.371%0.7123%0.225SC*.THydrogen-bonded Turntrans-75-21.5178.9-60-60.8-3.100113.3N328 R332N328-Q330 PolarHBondContact O-N 3.32Å; N328-Q330 VanDerWaalsContact O-N 3.08Å; N328-Q330 PolarHBondContact OD1-N 3.47Å; N328-Q330 VanDerWaalsContact OD1-N 3.13Å; Q330-R332 VanDerWaalsContact C-N 3.34Å
331E94Very high95.5Very high121 Ų12148.6 Ų48.657%0.56523%0.234SC*.THydrogen-bonded Turntrans-83.7-14.7176.1-66.6173.2-173.900112.5S326 N328 P329S326-E331 PolarHBondContact OG-OE2 3.49Å; N328-E331 HydrophobicContact CB-CG 4.07Å; N328-E331 PolarHBondContact ND2-OE1 3.26Å; N328-E331 PolarHBondContact O-N 3.34Å; P329-E331 VanDerWaalsContact C-N 3.31Å
332R96.3Very high95.5Very high4 Ų448.7 Ų48.72%0.01524%0.235CC..SBendtrans-73.4141.5175.4-55.8-178.2-164.7143.712.8109.7E241 K250 I253 E323 M324 S326 P329 Q330E241-R332 IonicContact OE1-CZ 3.88Å; E241-R332 IonicContact OE1-NH1 3.94Å; E241-R332 PolarHBondContact OE1-NH1 3.46Å; E241-R332 IonicContact OE1-NH2 2.68Å; E241-R332 IonicContact OE2-CZ 3.09Å; E241-R332 IonicContact OE2-NH1 3.71Å; E241-R332 PolarHBondContact OE2-NH1 3Å; E241-R332 IonicContact OE2-NH2 2.77Å; E241-R332 PolarHBondContact OE2-NH2 3.27Å; K250-R332 HydrophobicContact CD-CB 4.27Å; K250-R332 PolarHBondContact NZ-O 3.1Å; K250-R332 PolarHBondContact O-NH1 3.43Å; I253-R332 HydrophobicContact CG2-CB 4.14Å; E323-R332 WeakPolarHBondContact O-CG 3.43Å; M324-R332 WeakPolarHBondContact O-CD 3.39Å; S326-R332 VanDerWaalsContact O-CZ 3.29Å; S326-R332 PolarHBondContact O-NE 3.46Å; S326-R332 PolarHBondContact O-NH2 3.38Å; P329-R332 PolarHBondContact O-N 2.88Å; Q330-R332 VanDerWaalsContact C-N 3.34Å
333P97.1Very high95.5Very high3 Ų347.4 Ų47.42%0.01924%0.237CC..PPolyproline II helixtrans-60.5156.3169.828.4-35.2000110.4I253 L320 M324 E337 L338I253-P333 HydrophobicContact CG2-CG 4.23Å; L320-P333 HydrophobicContact CD1-CG 4.2Å; M324-P333 HydrophobicContact CG-CG 4.17Å; P333-E337 HydrophobicContact CB-CB 4.06Å; P333-E337 HydrophobicContact CB-CG 4.25Å; P333-L338 HydrophobicContact CG-CB 4.5Å
334D96.5Very high95.4Very high57 Ų5751.9 Ų51.931%0.30525%0.252SS..PPolyproline II helixtrans-78.1170.7162.569.942.1000111.1F336 E337 L338D334-F336 VanDerWaalsContact C-N 3.27Å; D334-F336 PolarHBondContact O-N 3.04Å; D334-F336 WeakPolarHBondContact OD1-CA 3.36Å; D334-F336 WeakPolarHBondContact OD1-CB 3.18Å; D334-F336 PolarHBondContact OD1-N 3.33Å; D334-E337 PolarHBondContact O-N 2.98Å; D334-E337 PolarHBondContact OD1-N 3.37Å; D334-L338 WeakPolarHBondContact O-CB 3.45Å; D334-L338 PolarHBondContact O-N 2.91Å
335A96.6Very high95.1Very high3 Ų352.3 Ų52.33%0.02525%0.254CS..Hα-helixtrans-63.5-31-175.800000113.7L165 A166 H169 I253 E339L165-A335 HydrophobicContact CB-CB 4.45Å; L165-A335 HydrophobicContact CD2-CB 4.27Å; L165-A335 HydrophobicContact CG-CB 3.92Å; A166-A335 HydrophobicContact CB-CB 4.38Å; H169-A335 HydrophobicContact CB-CB 4.13Å; H169-A335 WeakPolarHBondContact ND1-CB 3.48Å; I253-A335 HydrophobicContact CD1-CB 4.06Å; A335-E339 PolarHBondContact O-N 3Å
336F95.9Very high94.7Very high144 Ų14452.9 Ų52.963%0.63226%0.259SS*.Hα-helixtrans-74.4-43.1178.6-179.4-101000111.2D334 L338 E339 L340D334-F336 VanDerWaalsContact C-N 3.27Å; D334-F336 PolarHBondContact O-N 3.04Å; D334-F336 WeakPolarHBondContact OD1-CA 3.36Å; D334-F336 WeakPolarHBondContact OD1-CB 3.18Å; D334-F336 PolarHBondContact OD1-N 3.33Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 3.49Å; F336-E339 PolarHBondContact O-N 3.01Å; F336-L340 PolarHBondContact O-N 3.15Å; F336-L340 VanDerWaalsContact O-N 3.09Å
337E97.1Very high94.2Very high80 Ų8055.3 Ų55.337%0.37428%0.275SS..Hα-helixtrans-61.2-42.4172.8-165.9-161.7148.100110.9P333 D334 L340 R341P333-E337 HydrophobicContact CB-CB 4.06Å; P333-E337 HydrophobicContact CB-CG 4.25Å; D334-E337 PolarHBondContact O-N 2.98Å; D334-E337 PolarHBondContact OD1-N 3.37Å; E337-L340 PolarHBondContact O-N 3.29Å; E337-R341 HydrophobicContact CG-CG 4.4Å; E337-R341 WeakPolarHBondContact O-CB 3.33Å; E337-R341 VanDerWaalsContact O-CG 3.24Å; E337-R341 WeakPolarHBondContact O-CG 3.26Å; E337-R341 PolarHBondContact O-N 3.47Å; E337-R341 VanDerWaalsContact OE1-CD 3.32Å; E337-R341 WeakPolarHBondContact OE1-CD 3.41Å; E337-R341 IonicContact OE1-CZ 3.72Å; E337-R341 IonicContact OE1-NH1 3.29Å; E337-R341 PolarHBondContact OE1-NH1 3.31Å
338L97.8Very high93.5Very high0 Ų061.2 Ų61.20%029%0.293CS..Hα-helixtrans-57.3-52.6175.8174.762000111.5I253 L256 L320 M324 P333 D334 F336 L340 R341 L342I253-L338 HydrophobicContact CD1-CD2 3.87Å; L256-L338 HydrophobicContact CD1-CD2 3.97Å; L320-L338 HydrophobicContact CD1-CD1 3.89Å; L320-L338 HydrophobicContact CD2-CD1 3.85Å; L320-L338 HydrophobicContact CG-CD1 4.14Å; M324-L338 HydrophobicContact CE-CD1 3.88Å; M324-L338 HydrophobicContact CE-CD2 3.82Å; M324-L338 HydrophobicContact CG-CD1 4.27Å; M324-L338 HydrophobicContact SD-CD1 3.6Å; P333-L338 HydrophobicContact CG-CB 4.5Å; D334-L338 WeakPolarHBondContact O-CB 3.45Å; D334-L338 PolarHBondContact O-N 2.91Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 3.49Å; L338-L340 PolarHBondContact O-N 3.2Å; L338-R341 PolarHBondContact O-N 3.05Å; L338-L342 HydrophobicContact CD1-CD1 3.9Å; L338-L342 HydrophobicContact CD1-CG 4.04Å; L338-L342 HydrophobicContact CG-CD1 3.92Å; L338-L342 HydrophobicContact CG-CG 4.48Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.34Å
339E97.8Very high92.4Very high52 Ų5260.8 Ų60.824%0.24329%0.288CS..Hα-helixtrans-55.2-50.1178.3-177.6-177.9-147.900111.2S163 A166 A335 F336 R341 L342 V343S163-E339 VanDerWaalsContact CA-OE1 3.28Å; S163-E339 WeakPolarHBondContact CA-OE1 3.43Å; S163-E339 VanDerWaalsContact CB-OE1 3.26Å; S163-E339 WeakPolarHBondContact CB-OE1 3.36Å; S163-E339 PolarHBondContact OG-OE1 3.31Å; A166-E339 HydrophobicContact CB-CB 4.09Å; A166-E339 WeakPolarHBondContact CB-OE2 3.31Å; A335-E339 PolarHBondContact O-N 3Å; F336-E339 PolarHBondContact O-N 3.01Å; E339-R341 VanDerWaalsContact C-N 3.32Å; E339-R341 PolarHBondContact O-N 3.35Å; E339-L342 PolarHBondContact O-N 3.21Å; E339-V343 WeakPolarHBondContact O-CG2 3.43Å; E339-V343 PolarHBondContact O-N 2.94Å; E339-V343 VanDerWaalsContact O-N 3.08Å
340L96.5Very high90.8Very high72 Ų7265.5 Ų65.538%0.37731%0.311SS..Hα-helixtrans-61.7-40.3-179.2-175.366.1000112.3F336 E337 L338 R344F336-L340 PolarHBondContact O-N 3.15Å; F336-L340 VanDerWaalsContact O-N 3.09Å; E337-L340 PolarHBondContact O-N 3.29Å; L338-L340 PolarHBondContact O-N 3.2Å; L340-R344 WeakPolarHBondContact O-CG 3.2Å; L340-R344 PolarHBondContact O-N 3.28Å; L340-R344 VanDerWaalsContact O-N 3.11Å
341R96.6Very high88.9Confident48 Ų4864 Ų6418%0.18131%0.308CS..Hα-helixtrans-70-40.2179.1-73.3176.365.8176.4-4.4111.8L320 E323 E337 L338 E339 V343 R344 I345L320-R341 HydrophobicContact CD1-CB 4.47Å; L320-R341 HydrophobicContact CD2-CB 4.36Å; E323-R341 IonicContact OE1-NH2 3.39Å; E323-R341 IonicContact OE2-CZ 3.37Å; E323-R341 IonicContact OE2-NH1 3.96Å; E323-R341 PolarHBondContact OE2-NH1 3.01Å; E323-R341 IonicContact OE2-NH2 2.83Å; E323-R341 PolarHBondContact OE2-NH2 3.3Å; E337-R341 HydrophobicContact CG-CG 4.4Å; E337-R341 WeakPolarHBondContact O-CB 3.33Å; E337-R341 VanDerWaalsContact O-CG 3.24Å; E337-R341 WeakPolarHBondContact O-CG 3.26Å; E337-R341 PolarHBondContact O-N 3.47Å; E337-R341 VanDerWaalsContact OE1-CD 3.32Å; E337-R341 WeakPolarHBondContact OE1-CD 3.41Å; E337-R341 IonicContact OE1-CZ 3.72Å; E337-R341 IonicContact OE1-NH1 3.29Å; E337-R341 PolarHBondContact OE1-NH1 3.31Å; L338-R341 PolarHBondContact O-N 3.05Å; E339-R341 VanDerWaalsContact C-N 3.32Å; E339-R341 PolarHBondContact O-N 3.35Å; R341-V343 PolarHBondContact O-N 3.44Å; R341-R344 PolarHBondContact O-N 3.02Å; R341-I345 WeakPolarHBondContact O-CB 3.38Å; R341-I345 WeakPolarHBondContact O-CD1 3.17Å; R341-I345 WeakPolarHBondContact O-CG1 3.27Å; R341-I345 PolarHBondContact O-N 3.46Å
342L95.6Very high86.5Confident3 Ų368.5 Ų68.52%0.01632%0.32CS..Hα-helixtrans-59.2-46.6174.9-73.1168.4000111.4M158 L159 F260 M317 L320 L338 E339 R344 I345 A346M158-L342 HydrophobicContact CB-CD2 4.09Å; M158-L342 WeakPolarHBondContact O-CD1 3.43Å; L159-L342 HydrophobicContact CD2-CB 3.92Å; F260-L342 HydrophobicContact CE2-CD1 4.07Å; F260-L342 HydrophobicContact CE2-CD2 4.04Å; F260-L342 HydrophobicContact CZ-CD1 4.22Å; M317-L342 HydrophobicContact CE-CD2 3.69Å; M317-L342 HydrophobicContact SD-CD2 4Å; L320-L342 HydrophobicContact CD2-CD2 3.7Å; L320-L342 HydrophobicContact CD2-CG 3.99Å; L338-L342 HydrophobicContact CD1-CD1 3.9Å; L338-L342 HydrophobicContact CD1-CG 4.04Å; L338-L342 HydrophobicContact CG-CD1 3.92Å; L338-L342 HydrophobicContact CG-CG 4.48Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.34Å; E339-L342 PolarHBondContact O-N 3.21Å; L342-R344 PolarHBondContact O-N 3.13Å; L342-I345 PolarHBondContact O-N 3.48Å; L342-A346 WeakPolarHBondContact O-CB 3.45Å; L342-A346 PolarHBondContact O-N 3.19Å
343V94.4Very high84Confident68 Ų6875.3 Ų75.341%0.41236%0.357SS..Hα-helixtrans-59.4-47.5176.4173.20000111.1L159 E339 R341 I345 A346 C347L159-V343 HydrophobicContact CD2-CB 4.48Å; L159-V343 HydrophobicContact CD2-CG2 3.94Å; E339-V343 WeakPolarHBondContact O-CG2 3.43Å; E339-V343 PolarHBondContact O-N 2.94Å; E339-V343 VanDerWaalsContact O-N 3.08Å; R341-V343 PolarHBondContact O-N 3.44Å; V343-I345 VanDerWaalsContact C-N 3.31Å; V343-I345 PolarHBondContact O-N 3.37Å; V343-A346 PolarHBondContact O-N 3.19Å; V343-C347 PolarHBondContact O-N 2.65Å; V343-C347 PolarHBondContact O-SG 2.91Å
344R93.5Very high81.1Confident142 Ų14283.2 Ų83.254%0.53641%0.406SS..Hα-helixtrans-60.6-40178.1-74.5173.6-179.3174.81.4112.6L340 R341 L342 R348L340-R344 WeakPolarHBondContact O-CG 3.2Å; L340-R344 PolarHBondContact O-N 3.28Å; L340-R344 VanDerWaalsContact O-N 3.11Å; R341-R344 PolarHBondContact O-N 3.02Å; L342-R344 PolarHBondContact O-N 3.13Å; R344-R348 WeakPolarHBondContact O-CG 3.34Å; R344-R348 PolarHBondContact O-N 3.5Å
345I91.1Very high80.4Confident10 Ų1084.6 Ų84.65%0.05141%0.411CS..Hα-helixtrans-67.8-46.4178.8-67.5165.2000109.9N314 H316 M317 L320 R341 L342 V343 C347 R348 E349N314-I345 WeakPolarHBondContact ND2-CG2 3.31Å; H316-I345 HydrophobicContact CB-CD1 4.05Å; H316-I345 HydrophobicContact CB-CG1 3.82Å; H316-I345 HydrophobicContact CB-CG2 4.48Å; M317-I345 HydrophobicContact CB-CG2 4.24Å; M317-I345 HydrophobicContact CE-CG2 4Å; L320-I345 HydrophobicContact CB-CD1 4.23Å; L320-I345 HydrophobicContact CD2-CD1 3.87Å; R341-I345 WeakPolarHBondContact O-CB 3.38Å; R341-I345 WeakPolarHBondContact O-CD1 3.17Å; R341-I345 WeakPolarHBondContact O-CG1 3.27Å; R341-I345 PolarHBondContact O-N 3.46Å; L342-I345 PolarHBondContact O-N 3.48Å; V343-I345 VanDerWaalsContact C-N 3.31Å; V343-I345 PolarHBondContact O-N 3.37Å; I345-C347 PolarHBondContact O-N 2.95Å; I345-R348 PolarHBondContact O-N 2.89Å; I345-E349 PolarHBondContact O-N 3.46Å
346A87.6Confident79.5Confident13 Ų1388.8 Ų88.811%0.10743%0.431CS..Hα-helixtrans-62.8-41.4179.900000112.7T155 L159 L342 V343 R348 E349 L350T155-A346 HydrophobicContact CG2-CB 3.86Å; L159-A346 HydrophobicContact CD1-CB 3.88Å; L159-A346 HydrophobicContact CD2-CB 4.12Å; L159-A346 HydrophobicContact CG-CB 4.38Å; L342-A346 WeakPolarHBondContact O-CB 3.45Å; L342-A346 PolarHBondContact O-N 3.19Å; V343-A346 PolarHBondContact O-N 3.19Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.82Å; A346-E349 PolarHBondContact O-N 2.77Å; A346-E349 VanDerWaalsContact O-N 3.15Å; A346-L350 PolarHBondContact O-N 3.33Å
347C84.3Confident78.6Confident71 Ų7185.8 Ų85.848%0.4842%0.42SS..Hα-helixtrans-59.9-38.8175.4-68.90000112.3V343 I345 E349 L350V343-C347 PolarHBondContact O-N 2.65Å; V343-C347 PolarHBondContact O-SG 2.91Å; I345-C347 PolarHBondContact O-N 2.95Å; C347-E349 VanDerWaalsContact C-N 3.31Å; C347-E349 PolarHBondContact O-N 2.99Å; C347-L350 PolarHBondContact O-N 3.38Å
348R78.6Confident77.5Confident145 Ų14586.1 Ų86.155%0.54742%0.422SS..Hα-helixtrans-71.2-24.3177.8-70173.6179.9-167.9-0.7113.4H316 R344 I345 A346H316-R348 PolarHBondContact NE2-NH1 3.21Å; R344-R348 WeakPolarHBondContact O-CG 3.34Å; R344-R348 PolarHBondContact O-N 3.5Å; I345-R348 PolarHBondContact O-N 2.89Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.82Å
349E68.9Low76.2Confident60 Ų6091.5 Ų91.528%0.2845%0.449SS..Hα-helixtrans-73.5-33.5175.1-70.6-167.5149.100112T155 N314 I345 A346 C347 D351 W352T155-E349 PolarHBondContact OG1-OE2 3.1Å; N314-E349 VanDerWaalsContact ND2-CD 3.34Å; N314-E349 WeakPolarHBondContact ND2-CG 3.14Å; N314-E349 PolarHBondContact ND2-OE1 3.41Å; I345-E349 PolarHBondContact O-N 3.46Å; A346-E349 PolarHBondContact O-N 2.77Å; A346-E349 VanDerWaalsContact O-N 3.15Å; C347-E349 VanDerWaalsContact C-N 3.31Å; C347-E349 PolarHBondContact O-N 2.99Å; E349-D351 PolarHBondContact O-N 3.5Å; E349-W352 PolarHBondContact O-N 3.04Å; E349-W352 VanDerWaalsContact O-N 3.11Å
350L59.4Low74.8Confident127 Ų12794.1 Ų94.167%0.66546%0.463SS*.Hα-helixtrans-62.5-30175.6-71163.4000112.2A346 C347 W352A346-L350 PolarHBondContact O-N 3.33Å; C347-L350 PolarHBondContact O-N 3.38Å; L350-W352 VanDerWaalsContact C-N 3.3Å; L350-W352 PolarHBondContact O-N 2.85Å
351D50.6Low73.3Confident120 Ų12095.7 Ų95.764%0.64247%0.469SS*.THydrogen-bonded Turntrans-76.8-11.3177-65.2-26.9000113.6E349 T354E349-D351 PolarHBondContact O-N 3.5Å; D351-T354 PolarHBondContact O-OG1 2.63Å
352W44.2Very low71.5Confident217 Ų21799.4 Ų99.482%0.82249%0.491SS*.THydrogen-bonded Turntrans-93.8-22-178.9-174.9-90.5000113.6E349 L350 T354E349-W352 PolarHBondContact O-N 3.04Å; E349-W352 VanDerWaalsContact O-N 3.11Å; L350-W352 VanDerWaalsContact C-N 3.3Å; L350-W352 PolarHBondContact O-N 2.85Å; W352-T354 VanDerWaalsContact C-N 3.32Å
353D43.7Very low69.4Low147 Ų147107.4 Ų107.479%0.78653%0.53SS*.  trans-90.26.5178.3-78.9-21000112.9
354T36.9Very low67.2Low169 Ų169111 Ų111100%1.03754%0.541SS*.  trans-105.80165.154.20000110.8D351 W352D351-T354 PolarHBondContact O-OG1 2.63Å; W352-T354 VanDerWaalsContact C-N 3.32Å

Retrieved 354 of 354 residues in 377.3 ms (Link to these results)