A0A060XC71_ONCMY Loading...

Antolefinin

AlphaFold DB , UniProt , Accession A0A060XC71, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene antol, Length 242 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
1M37.7Very low46Very low216 Ų216170.7 Ų170.7100%1.06484%0.841SS**  098.50-67-67-167.100107.8
2H38.5Very low46.6Very low191 Ų191165.8 Ų165.888%0.88482%0.821SS**  trans-99.1122.1179.2-71.6-37.6000109.9V4H2-V4 PolarHBondContact O-N 2.92Å
3H39.7Very low47.4Very low177 Ų177159.5 Ų159.582%0.81981%0.811SS**  trans-81.3109.2-178.2-43.2-85.7000109.2K5H3-K5 PolarHBondContact O-N 3.3Å
4V41.8Very low48.1Very low128 Ų128159.7 Ų159.778%0.77681%0.807SS**  trans-85.4110.6172.4178.60000108.2H2 I6H2-V4 PolarHBondContact O-N 2.92Å; V4-I6 PolarHBondContact O-N 2.78Å
5K45.4Very low48.8Very low200 Ų200155.7 Ų155.787%0.8778%0.784SS**  trans-75.4109.4171.3-70-179.6177.9178.80108.6H3 K7H3-K5 PolarHBondContact O-N 3.3Å; K5-K7 PolarHBondContact O-N 3.34Å
6I52Low49.9Very low147 Ų147150.8 Ų150.875%0.75477%0.769SS**  trans-76.8115.7172.9-61.2169.8000107.5V4 T8V4-I6 PolarHBondContact O-N 2.78Å; I6-T8 PolarHBondContact O-N 3.21Å
7K46Very low51.5Low203 Ų203143.5 Ų143.588%0.88374%0.741SS**  trans-78.2106173.1-167.8166.3177.8179.20107.4K5 E9K5-K7 PolarHBondContact O-N 3.34Å; K7-E9 PolarHBondContact O-N 3.42Å
8T48.8Very low52.9Low125 Ų125139 Ų13977%0.76773%0.728SS**  trans-68.4114.1173.547.90000109.2I6I6-T8 PolarHBondContact O-N 3.21Å
9E49.3Very low54.5Low186 Ų186139.3 Ų139.387%0.86972%0.718SS**PPolyproline II helixtrans-64.1136.2168.6-164175.2160.300109.1K7K7-E9 PolarHBondContact O-N 3.42Å
10K53.8Low56.2Low192 Ų192136.3 Ų136.384%0.83571%0.71SS**PPolyproline II helixtrans-67.3138177.2-87-168.3166.7-176.60109.1D12K10-D12 PolarHBondContact O-N 2.94Å
11P52.7Low57.8Low113 Ų113139 Ų13973%0.73471%0.711SS**PPolyproline II helixtrans-63.8123.6171.326.9-32000109A13P11-A13 PolarHBondContact O-N 3.43Å
12D52.8Low60.3Low112 Ų112133.6 Ų133.660%0.59969%0.686SS**PPolyproline II helixtrans-67.4128.6-178.5-145.5-19.7000109.5K10 E14 E15K10-D12 PolarHBondContact O-N 2.94Å; D12-E14 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact O-N 3.12Å; D12-E15 PolarHBondContact O-N 2.86Å; D12-E15 VanDerWaalsContact O-N 3.14Å
13A57.3Low62.8Low84 Ų84129.3 Ų129.369%0.69467%0.67SS**Hα-helixtrans-63-22.2-174.400000112.2P11 G17P11-A13 PolarHBondContact O-N 3.43Å; A13-G17 PolarHBondContact O-N 3.2Å
14E57.5Low65.3Low162 Ų162123.7 Ų123.776%0.75765%0.654SS**Hα-helixtrans-69.9-32.7177-63.5-155151.500113.4D12 G17 A18D12-E14 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact O-N 3.12Å; E14-G17 PolarHBondContact O-N 3.1Å; E14-A18 PolarHBondContact O-N 2.88Å
15E58Low67.8Low99 Ų99122.1 Ų122.146%0.46365%0.645SS.*Hα-helixtrans-70-36.1-179.5-159.6-170.715900111.3D12 A18 R19D12-E15 PolarHBondContact O-N 2.86Å; D12-E15 VanDerWaalsContact O-N 3.14Å; E15-A18 PolarHBondContact O-N 3.33Å; E15-R19 VanDerWaalsContact CD-NH1 3.26Å; E15-R19 WeakPolarHBondContact O-CG 3.49Å; E15-R19 PolarHBondContact O-N 2.94Å; E15-R19 VanDerWaalsContact O-N 3.17Å; E15-R19 IonicContact OE1-CZ 3.15Å; E15-R19 IonicContact OE1-NH1 3.95Å; E15-R19 PolarHBondContact OE1-NH1 3.49Å; E15-R19 IonicContact OE1-NH2 2.75Å; E15-R19 PolarHBondContact OE1-NH2 2.97Å; E15-R19 IonicContact OE2-NH1 2.84Å
16S66.6Low70Confident77 Ų77117.1 Ų117.154%0.53863%0.627SS.*Hα-helixtrans-67.5-36.5172.5-65.90000112S20S16-S20 PolarHBondContact O-N 3.15Å; S16-S20 VanDerWaalsContact O-N 3.08Å
17G77.9Confident71.7Confident28 Ų28115.9 Ų115.929%0.28962%0.618SS.*Hα-helixtrans-67.2-39.9175.100000113A13 E14 R21A13-G17 PolarHBondContact O-N 3.2Å; E14-G17 PolarHBondContact O-N 3.1Å; G17-R21 WeakPolarHBondContact O-CD 3.33Å; G17-R21 VanDerWaalsContact O-CG 3.23Å; G17-R21 WeakPolarHBondContact O-CG 3.36Å; G17-R21 PolarHBondContact O-N 3.09Å; G17-R21 VanDerWaalsContact O-N 3.09Å
18A76.6Confident73.7Confident62 Ų62107.7 Ų107.751%0.51259%0.591SS.*Hα-helixtrans-65.2-41.1176.500000112.2E14 E15 R21 L22E14-A18 PolarHBondContact O-N 2.88Å; E15-A18 PolarHBondContact O-N 3.33Å; A18-R21 PolarHBondContact O-N 3.49Å; A18-L22 PolarHBondContact O-N 2.72Å; A18-L22 VanDerWaalsContact O-N 3.11Å
19R82.5Confident75.5Confident144 Ų144107.3 Ų107.354%0.54358%0.584SS.*Hα-helixtrans-62.4-48.4174.9-75.5-178.3171.3110.210.8112.2E15 R21 L22 D23E15-R19 VanDerWaalsContact CD-NH1 3.26Å; E15-R19 WeakPolarHBondContact O-CG 3.49Å; E15-R19 PolarHBondContact O-N 2.94Å; E15-R19 VanDerWaalsContact O-N 3.17Å; E15-R19 IonicContact OE1-CZ 3.15Å; E15-R19 IonicContact OE1-NH1 3.95Å; E15-R19 PolarHBondContact OE1-NH1 3.49Å; E15-R19 IonicContact OE1-NH2 2.75Å; E15-R19 PolarHBondContact OE1-NH2 2.97Å; E15-R19 IonicContact OE2-NH1 2.84Å; R19-R21 VanDerWaalsContact C-N 3.3Å; R19-R21 PolarHBondContact O-N 3.42Å; R19-L22 WeakPolarHBondContact O-CB 3.41Å; R19-L22 PolarHBondContact O-N 3.37Å; R19-L22 VanDerWaalsContact O-N 3.15Å; R19-D23 PolarHBondContact O-N 2.75Å
20S88.7Confident77.4Confident79 Ų79102.4 Ų102.455%0.55257%0.566SS**Hα-helixtrans-61.1-37.6178.7174.40000112.8S16 D23 A24S16-S20 PolarHBondContact O-N 3.15Å; S16-S20 VanDerWaalsContact O-N 3.08Å; S20-D23 PolarHBondContact O-N 2.98Å; S20-A24 WeakPolarHBondContact O-CB 3.43Å; S20-A24 PolarHBondContact O-N 3.04Å
21R90.3Very high78.9Confident193 Ų19398.5 Ų98.573%0.72855%0.551SS**Hα-helixtrans-65.6-40.7175.1-71.5168-172.6-99.53.2112.3G17 A18 R19 V25G17-R21 WeakPolarHBondContact O-CD 3.33Å; G17-R21 VanDerWaalsContact O-CG 3.23Å; G17-R21 WeakPolarHBondContact O-CG 3.36Å; G17-R21 PolarHBondContact O-N 3.09Å; G17-R21 VanDerWaalsContact O-N 3.09Å; A18-R21 PolarHBondContact O-N 3.49Å; R19-R21 VanDerWaalsContact C-N 3.3Å; R19-R21 PolarHBondContact O-N 3.42Å; R21-V25 WeakPolarHBondContact O-CG2 3.35Å; R21-V25 PolarHBondContact O-N 3.34Å; R21-V25 VanDerWaalsContact O-N 3.14Å
22L89.4Confident80.1Confident103 Ų10399.4 Ų99.454%0.53954%0.543SS..Hα-helixtrans-64.8-45.9176.9-178.668.3000111A18 R19 A24 V25 L26A18-L22 PolarHBondContact O-N 2.72Å; A18-L22 VanDerWaalsContact O-N 3.11Å; R19-L22 WeakPolarHBondContact O-CB 3.41Å; R19-L22 PolarHBondContact O-N 3.37Å; R19-L22 VanDerWaalsContact O-N 3.15Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.1Å; L22-V25 PolarHBondContact O-N 3.19Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.92Å
23D91.3Very high81.2Confident102 Ų10297 Ų9755%0.54554%0.535SS..Hα-helixtrans-59.9-42.6178.4-76.8-15.4000111.5R19 S20 V25 L26 Q27R19-D23 PolarHBondContact O-N 2.75Å; S20-D23 PolarHBondContact O-N 2.98Å; D23-V25 PolarHBondContact O-N 3.07Å; D23-L26 PolarHBondContact O-N 3.43Å; D23-Q27 WeakPolarHBondContact O-CB 3.32Å; D23-Q27 PolarHBondContact O-N 3.02Å
24A92.5Very high82Confident59 Ų5997 Ų9749%0.48852%0.524SS..Hα-helixtrans-62.7-39.6176.100000112.9S20 L22 G28S20-A24 WeakPolarHBondContact O-CB 3.43Å; S20-A24 PolarHBondContact O-N 3.04Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.1Å; A24-G28 PolarHBondContact O-N 2.97Å
25V93.6Very high82.6Confident95 Ų9592.5 Ų92.558%0.57651%0.51SS*.Hα-helixtrans-67-42.6176.7170.50000111.2R21 L22 D23 G28 L29R21-V25 WeakPolarHBondContact O-CG2 3.35Å; R21-V25 PolarHBondContact O-N 3.34Å; R21-V25 VanDerWaalsContact O-N 3.14Å; L22-V25 PolarHBondContact O-N 3.19Å; D23-V25 PolarHBondContact O-N 3.07Å; V25-G28 PolarHBondContact O-N 3.23Å; V25-L29 PolarHBondContact O-N 3.43Å
26L91.4Very high83Confident94 Ų9493 Ų9349%0.49251%0.512SS..Hα-helixtrans-64.3-43.5178-71.3174.1000111.4L22 D23 L29 V30L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.92Å; D23-L26 PolarHBondContact O-N 3.43Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 3.16Å; L26-V30 VanDerWaalsContact O-N 3.07Å
27Q89.1Confident82.9Confident122 Ų12297.4 Ų97.457%0.5752%0.517SS*.Hα-helixtrans-62.6-43.7177.4-166.1166.813.300111.5D23 L29 V30 E31D23-Q27 WeakPolarHBondContact O-CB 3.32Å; D23-Q27 PolarHBondContact O-N 3.02Å; Q27-L29 VanDerWaalsContact C-N 3.28Å; Q27-L29 PolarHBondContact O-N 3.25Å; Q27-V30 PolarHBondContact O-N 3.26Å; Q27-E31 WeakPolarHBondContact O-CG 3.36Å; Q27-E31 PolarHBondContact O-N 3.22Å
28G87.9Confident81.9Confident31 Ų31103.2 Ų103.232%0.3254%0.536SS..Hα-helixtrans-64.3-29.417500000113.9A24 V25 K32A24-G28 PolarHBondContact O-N 2.97Å; V25-G28 PolarHBondContact O-N 3.23Å; G28-K32 WeakPolarHBondContact O-CB 3.24Å; G28-K32 PolarHBondContact O-N 3.32Å; G28-K32 VanDerWaalsContact O-N 3.1Å
29L86.6Confident81Confident117 Ų117107.2 Ų107.261%0.61355%0.545SS*.Hα-helixtrans-71.7-40.6174.9-136.985.1000111.7V25 L26 Q27 K32 S33V25-L29 PolarHBondContact O-N 3.43Å; L26-L29 PolarHBondContact O-N 2.86Å; Q27-L29 VanDerWaalsContact C-N 3.28Å; Q27-L29 PolarHBondContact O-N 3.25Å; L29-K32 PolarHBondContact O-N 3.18Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 2.93Å; L29-S33 VanDerWaalsContact O-OG 3.09Å
30V88.8Confident79.4Confident82 Ų82106.4 Ų106.450%0.49755%0.551SS.*Hα-helixtrans-63.7-48.8176.7171.80000110.5L26 Q27 K32 S33 D34L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 3.16Å; L26-V30 VanDerWaalsContact O-N 3.07Å; Q27-V30 PolarHBondContact O-N 3.26Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.18Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.07Å; V30-S33 VanDerWaalsContact O-N 3.15Å; V30-S33 PolarHBondContact O-OG 3.35Å; V30-D34 PolarHBondContact O-N 3.45Å
31E85.3Confident77.7Confident110 Ų110109.3 Ų109.351%0.51456%0.556SS.*Hα-helixtrans-62-36.9177.7-70.8171.8-175.600112.1Q27 D34 S35Q27-E31 WeakPolarHBondContact O-CG 3.36Å; Q27-E31 PolarHBondContact O-N 3.22Å; E31-D34 PolarHBondContact O-N 2.97Å; E31-S35 WeakPolarHBondContact O-CB 3.42Å; E31-S35 PolarHBondContact O-N 2.98Å; E31-S35 PolarHBondContact O-OG 2.95Å
32K78.3Confident75.7Confident132 Ų132107.4 Ų107.457%0.57456%0.56SS**Hα-helixtrans-64.1-44.9172.5-108.3162.4155.8-77.10112.4G28 L29 V30 D34 S35 E36G28-K32 WeakPolarHBondContact O-CB 3.24Å; G28-K32 PolarHBondContact O-N 3.32Å; G28-K32 VanDerWaalsContact O-N 3.1Å; L29-K32 PolarHBondContact O-N 3.18Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.18Å; K32-D34 VanDerWaalsContact C-N 3.32Å; K32-D34 PolarHBondContact O-N 3.14Å; K32-S35 PolarHBondContact O-N 3.45Å; K32-E36 WeakPolarHBondContact O-CB 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.09Å; K32-E36 PolarHBondContact O-N 3.26Å
33S75.1Confident73.5Confident61 Ų61110.7 Ų110.743%0.42757%0.573SS.*Hα-helixtrans-65.7-34.8177.747.20000112.9L29 V30 R37L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 2.93Å; L29-S33 VanDerWaalsContact O-OG 3.09Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.07Å; V30-S33 VanDerWaalsContact O-N 3.15Å; V30-S33 PolarHBondContact O-OG 3.35Å; S33-R37 WeakPolarHBondContact O-CB 3.4Å; S33-R37 PolarHBondContact O-N 3.18Å; S33-R37 VanDerWaalsContact O-N 3.1Å
34D74.5Confident71.3Confident86 Ų86111.4 Ų111.446%0.4658%0.581SS.*Hα-helixtrans-72.1-39.4174-78-26.2000111.5V30 E31 K32 R37 E38V30-D34 PolarHBondContact O-N 3.45Å; E31-D34 PolarHBondContact O-N 2.97Å; K32-D34 VanDerWaalsContact C-N 3.32Å; K32-D34 PolarHBondContact O-N 3.14Å; D34-R37 WeakPolarHBondContact O-CB 3.33Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-E38 PolarHBondContact O-N 3.43Å
35S70.6Confident69.1Low67 Ų67117.7 Ų117.747%0.46960%0.597SS.*Hα-helixtrans-66.7-38.4175.8-57.50000112.9E31 K32 R37 E38 Q39E31-S35 WeakPolarHBondContact O-CB 3.42Å; E31-S35 PolarHBondContact O-N 2.98Å; E31-S35 PolarHBondContact O-OG 2.95Å; K32-S35 PolarHBondContact O-N 3.45Å; S35-R37 VanDerWaalsContact C-N 3.29Å; S35-E38 PolarHBondContact O-N 3.05Å; S35-Q39 WeakPolarHBondContact O-CB 3.39Å; S35-Q39 PolarHBondContact O-N 3.18Å
36E66.2Low66.4Low108 Ų108121.9 Ų121.951%0.50561%0.613SS.*Hα-helixtrans-66-34.2173.2-76.1177.3177.200111.1K32 N40K32-E36 WeakPolarHBondContact O-CB 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.09Å; K32-E36 PolarHBondContact O-N 3.26Å; E36-N40 PolarHBondContact O-N 3.14Å; E36-N40 PolarHBondContact O-ND2 2.8Å
37R63.8Low63.6Low171 Ų171122.2 Ų122.265%0.64563%0.629SS**Hα-helixtrans-69.5-42.2175-167.7174.9-178.9175.10.3111.8S33 D34 S35 N40S33-R37 WeakPolarHBondContact O-CB 3.4Å; S33-R37 PolarHBondContact O-N 3.18Å; S33-R37 VanDerWaalsContact O-N 3.1Å; D34-R37 WeakPolarHBondContact O-CB 3.33Å; D34-R37 PolarHBondContact O-N 2.96Å; S35-R37 VanDerWaalsContact C-N 3.29Å; R37-N40 PolarHBondContact O-N 2.96Å
38E58.1Low61.1Low149 Ų149125.5 Ų125.570%0.69664%0.644SS**Hα-helixtrans-68.4-35.7175.5-70.3-164.3169.200112.8D34 S35 N40 E41D34-E38 PolarHBondContact O-N 3.43Å; S35-E38 PolarHBondContact O-N 3.05Å; E38-N40 VanDerWaalsContact C-N 3.31Å; E38-N40 PolarHBondContact O-N 2.91Å; E38-E41 PolarHBondContact O-N 3.16Å
39Q56.4Low58.6Low147 Ų147130.9 Ų130.969%0.68767%0.666SS**Hα-helixtrans-67.1-27.9173.7-85.6-176.8-11.400113.6S35 E41S35-Q39 WeakPolarHBondContact O-CB 3.39Å; S35-Q39 PolarHBondContact O-N 3.18Å; Q39-E41 VanDerWaalsContact C-N 3.31Å
40N50.3Low56.1Low127 Ų127129.9 Ų129.968%0.67967%0.669SS**Hα-helixtrans-79.5-10.9177.1-85.8-86.7000113.7E36 R37 E38E36-N40 PolarHBondContact O-N 3.14Å; E36-N40 PolarHBondContact O-ND2 2.8Å; R37-N40 PolarHBondContact O-N 2.96Å; E38-N40 VanDerWaalsContact C-N 3.31Å; E38-N40 PolarHBondContact O-N 2.91Å
41E52.4Low54Low140 Ų140134.2 Ų134.265%0.65469%0.688SS**Hα-helixtrans-85.8-19.1178.1-67.9-176.8-176.100112.6E38 Q39E38-E41 PolarHBondContact O-N 3.16Å; Q39-E41 VanDerWaalsContact C-N 3.31Å
42D48.2Very low51.6Low153 Ų153134.5 Ų134.582%0.81870%0.702SS**Hα-helixtrans-104.3-8-176.3-133.74.5000114.9
43E43.4Very low49.7Very low171 Ų171137.6 Ų137.680%0.79972%0.716SS**  trans-107.633.3177-67.8-144.7151.600114.1K45E43-K45 PolarHBondContact O-N 3.11Å
44T45.2Very low48.1Very low118 Ų118142.4 Ų142.472%0.72474%0.737SS**  trans-78.371.3165.335.80000111.1
45K45.8Very low46.5Very low190 Ų190144.8 Ų144.883%0.82675%0.754SS**SBendtrans176.3105.9151.5-96.7155-164.4-178.30108.7E43E43-K45 PolarHBondContact O-N 3.11Å
46M37.3Very low45.1Very low184 Ų184147 Ų14791%0.90677%0.77SS**  trans146.2138.4135.1-74.4-54.9-135.900111.8
47A32.7Very low44.2Very low100 Ų100147.8 Ų147.883%0.82678%0.784SS**  trans77.998.2155.400000119.2
48E36.9Very low43.1Very low191 Ų191145.3 Ų145.389%0.89379%0.793SS**  trans-38.6147.6145.1-170.9170.1-174.200115.2
49D35.5Very low42.3Very low145 Ų145144 Ų14478%0.77580%0.8SS**  trans101.9143.4151.7-158.541.3000121.1
50S34Very low41.5Very low96 Ų96141.7 Ų141.767%0.67181%0.806SS**  trans94.896.8156.4-770000119.3
51L44.3Very low40.8Very low173 Ų173139.2 Ų139.291%0.90681%0.81SS**PPolyproline II helixtrans-56.3143.5166.4-86.781.4000113.1
52S34.9Very low40.5Very low116 Ų116142.7 Ų142.781%0.81182%0.823SS**PPolyproline II helixtrans-54.4132.2179.948.10000115.1
53K38.9Very low40.7Very low197 Ų197146.7 Ų146.786%0.85783%0.827SS**PPolyproline II helixtrans-99.3126.3176.3-144.7159.3-174.2168.20109.2
54D41.6Very low40.9Very low162 Ų162144.6 Ų144.687%0.86683%0.828SS**PPolyproline II helixtrans-51.8132.6174.4-71.8-79.1000112.8
55V39.1Very low41.1Very low136 Ų136143.7 Ų143.782%0.82483%0.827SS**  trans-122.9101.6168.3-172.70000108.7
56S41.3Very low40.7Very low113 Ų113140.3 Ų140.379%0.7983%0.827SS**  trans-104.7131.1159.8-72.60000108.8
57P47.2Very low41.1Very low125 Ų125142.3 Ų142.381%0.81283%0.825SS**  trans-91123.7167.431.5-26.2000111
58S42.2Very low42Very low119 Ų119146.9 Ų146.983%0.83283%0.826SS**  trans-71.4146163.7-172.60000110.8
59S41.7Very low42.5Very low121 Ų121143.6 Ų143.685%0.84682%0.821SS**  trans-130.1141160.270.50000110.9
60A38Very low43.4Very low99 Ų99145.8 Ų145.882%0.81883%0.827SS**  trans-109.5151.9-157.500000113.9
61G37Very low44Very low74 Ų74148.7 Ų148.776%0.76383%0.83SS**  trans75.3145.7154.100000116.9
62K45.3Very low44Very low213 Ų213150.4 Ų150.493%0.92682%0.824SS**  cis-156145.226.4-69.8170.7175.3174.10110.5
63R52.9Low44.8Very low237 Ų237156.8 Ų156.889%0.89483%0.83SS**  trans-81.9161.6168.9-77178.3167.4159.1-3.3111.3
64P46.6Very low45.9Very low127 Ų127157.1 Ų157.183%0.82583%0.832SS**  -130.4122.5100.232.7-21.4000111.1
65S49.4Very low46.2Very low99 Ų99158.5 Ų158.569%0.69283%0.83SS**  47.491.490.3-178.60000114.4
66S38.9Very low46.9Very low120 Ų120163.6 Ų163.684%0.83984%0.835SS**  trans-130.1123.7154.2-179.60000108.8
67R43.9Very low47.6Very low225 Ų225167.4 Ų167.485%0.84984%0.837SS**  trans-74.4137.9-170-66.2171.4-165.1179.13.5110.6
68F52.2Low47.7Very low197 Ų197170 Ų17086%0.86484%0.838SS**  trans-57.6142.7160.4-76.1-92.2000111.2
69P48.3Very low48Very low121 Ų121173.1 Ų173.179%0.78684%0.842SS**  trans-90.6104.314923-9.5000109.3H71P69-H71 PolarHBondContact O-N 2.88Å
70Q53.4Low47.9Very low191 Ų191174 Ų17489%0.89384%0.837SS**  trans-64.3118.4153.5-78.8172.7-45.300108.1
71H46.9Very low47.8Very low157 Ų157176.4 Ų176.473%0.72784%0.836SS**  trans-140.4101161.4-155.8-93.4000113P69P69-H71 PolarHBondContact O-N 2.88Å
72R44.8Very low47.9Very low210 Ų210177.4 Ų177.479%0.79283%0.831SS**  trans46.7111.7143.7-76.4171.264-1793.6120.6
73R50.5Low47.8Very low249 Ų249175 Ų17594%0.9483%0.828SS**  trans-14.8128141.3-59.9168.791.8151.63.3114.7
74K63.3Low47.3Very low205 Ų205169.9 Ų169.989%0.89182%0.823SS**  trans-127.6104.9145.4-168.1172.3-179.8177.50109.7
75K47.3Very low47.3Very low191 Ų191169.9 Ų169.983%0.8381%0.812SS**  trans-60.2126.1167.7-173.4-178.3-175.8-178.20108.7
76R53.4Low46.9Very low243 Ų243170.3 Ų170.392%0.91782%0.815SS**  trans-131.7102.5156.1-164.2178.1-163.1-140.83.6109.4
77K56.4Low47.1Very low192 Ų192169.4 Ų169.484%0.83580%0.801SS**  trans36.3112.4146.2-155.8163.3-179.8177.70118.5
78E49.6Very low47.6Very low179 Ų179163.4 Ų163.484%0.83678%0.782SS**  trans-51.7141161.8-63.5163.4169.500112.2
79M48.1Very low47.6Very low185 Ų185160.8 Ų160.891%0.91177%0.772SS**  trans-145.999.1148-161.314198.300108
80D39.3Very low47.9Very low139 Ų139163.1 Ų163.174%0.74377%0.77SS**  trans21.7106.6136-158.450000118
81D36.6Very low48Very low151 Ų151159.4 Ų159.481%0.80775%0.753SS**  -156.487.9124.6-166.532.9000107.8
82S39.2Very low48.4Very low94 Ų94155.7 Ų155.766%0.65774%0.738SS**  trans-78.1122.5168.8-57.30000107
83L44Very low49.6Very low162 Ų162149.2 Ų149.285%0.84873%0.73SS**SBendtrans174.764.2147.4-91.2157.8000112.2
84T42.3Very low51.3Low131 Ų131144.5 Ų144.580%0.80471%0.713SS**SBendtrans-164.510.7150.4370000114.5S86T84-S86 PolarHBondContact O-N 2.96Å
85E45.3Very low52.6Low127 Ų127137.5 Ų137.559%0.59369%0.685SS**THydrogen-bonded Turntrans-93.826.1-170.5-81.8-93.6111.600114.9Q88E85-Q88 PolarHBondContact OE1-NE2 3.46Å; E85-Q88 PolarHBondContact OE1-OE1 3.43Å
86S41.1Very low54.6Low107 Ų107132.4 Ų132.475%0.74867%0.666SS**THydrogen-bonded Turntrans-105.91.5-178.570.90000116.1T84T84-S86 PolarHBondContact O-N 2.96Å
87N43.3Very low56.3Low101 Ų101128 Ų12854%0.5465%0.653SS.*SBendtrans-116.3-17.1-178.7-134.6-49.6000115.3H89N87-H89 PolarHBondContact O-N 3.24Å
88Q53.8Low57.8Low99 Ų99122.8 Ų122.846%0.46363%0.634SS.*Hα-helixtrans-67.6-38.4-177.3-63.3179.823.100112.1E85 K90 Q91 N92E85-Q88 PolarHBondContact OE1-NE2 3.46Å; E85-Q88 PolarHBondContact OE1-OE1 3.43Å; Q88-K90 VanDerWaalsContact C-N 3.29Å; Q88-K90 PolarHBondContact O-N 3.44Å; Q88-Q91 PolarHBondContact O-N 2.64Å; Q88-N92 WeakPolarHBondContact O-CB 3.29Å; Q88-N92 PolarHBondContact O-N 2.9Å; Q88-N92 PolarHBondContact O-ND2 2.89Å
89H52.7Low59.4Low142 Ų142123 Ų12366%0.65763%0.633SS**Hα-helixtrans-65.3-27.1-175.9-72.687000114.3N87N87-H89 PolarHBondContact O-N 3.24Å
90K53.7Low61.1Low171 Ų171120.3 Ų120.374%0.74362%0.622SS**Hα-helixtrans-81-34.3177.1-68.6-177.7-179.6-1790112.6Q88Q88-K90 VanDerWaalsContact C-N 3.29Å; Q88-K90 PolarHBondContact O-N 3.44Å
91Q55.9Low63.5Low112 Ų112116.3 Ų116.352%0.52360%0.596SS.*Hα-helixtrans-74.3-32.6176.3-61.2-80.2-23.500111.4Q88 A93Q88-Q91 PolarHBondContact O-N 2.64Å; Q91-A93 PolarHBondContact O-N 3.11Å
92N55.6Low66Low79 Ų79111.5 Ų111.542%0.42258%0.575SS.*G310 helixtrans-69.4-10.5-179.1-68.1-27.2000114.4Q88 Y94 I95Q88-N92 WeakPolarHBondContact O-CB 3.29Å; Q88-N92 PolarHBondContact O-N 2.9Å; Q88-N92 PolarHBondContact O-ND2 2.89Å; N92-Y94 PolarHBondContact O-N 3.15Å; N92-I95 PolarHBondContact O-N 3.45Å
93A69.4Low68.5Low75 Ų75107.7 Ų107.762%0.6255%0.548SS*.G310 helixtrans-65.2-21.4-177.400000113.7Q91Q91-A93 PolarHBondContact O-N 3.11Å
94Y87.4Confident70.8Confident149 Ų149101.7 Ų101.758%0.58452%0.516SS*.G310 helixtrans-11411179.1-64-78.9000112.8N92 L105 A106N92-Y94 PolarHBondContact O-N 3.15Å; Y94-L105 WeakPolarHBondContact O-CA 3.45Å; Y94-L105 WeakPolarHBondContact O-CB 3.25Å; Y94-L105 WeakPolarHBondContact O-CG 3.34Å; Y94-L105 PolarHBondContact O-N 3.5Å; Y94-A106 HydrophobicContact CD2-CB 4.38Å; Y94-A106 HydrophobicContact CG-CB 4.4Å
95I89.9Confident73.1Confident59 Ų5998 Ų9830%0.30349%0.491SS..EExtended strand (participates in β ladder)trans-96.2121.4-179.3-56.5-177.7000109.7N92 V103 D104N92-I95 PolarHBondContact O-N 3.45Å; I95-V103 WeakPolarHBondContact CA-O 3.43Å; I95-D104 HydrophobicContact CG1-CB 4.11Å
96I89.9Confident75.3Confident83 Ų8394.7 Ų94.743%0.42649%0.486SS..EExtended strand (participates in β ladder)trans-97130.6171.8-65.2-174.7000109L98 S102 V103 L105I96-L98 HydrophobicContact CG2-CD1 3.22Å; I96-S102 CarbonylContact O-C 3.59Å; I96-S102 WeakPolarHBondContact O-CA 3.42Å; I96-V103 HydrophobicContact CB-CG1 4.5Å; I96-V103 PolarHBondContact N-O 3.42Å; I96-V103 PolarHBondContact O-N 2.96Å; I96-L105 HydrophobicContact CD1-CD1 3.52Å; I96-L105 HydrophobicContact CD1-CG 4.38Å; I96-L105 HydrophobicContact CG1-CD1 3.82Å; I96-L105 HydrophobicContact CG1-CG 4.38Å
97K89.3Confident77.6Confident151 Ų15196 Ų9666%0.65748%0.48SS*.EExtended strand (participates in β ladder)trans-117.5120.4176.2-171.8179.2179.3179.60111.4R101K97-R101 CarbonylContact C-O 3.46Å; K97-R101 VanDerWaalsContact CA-O 3.3Å; K97-R101 WeakPolarHBondContact CA-O 3.41Å
98L88Confident79.9Confident82 Ų8293.9 Ų93.943%0.42947%0.465SS..EExtended strand (participates in β ladder)trans-133.2132.4175.8-8880.3000109.9I96 D100 R101 W121I96-L98 HydrophobicContact CG2-CD1 3.22Å; L98-D100 PolarHBondContact O-N 3.09Å; L98-R101 PolarHBondContact N-O 3.34Å; L98-R101 WeakPolarHBondContact O-CB 3.48Å; L98-R101 PolarHBondContact O-N 3.08Å; L98-R101 VanDerWaalsContact O-O 3.12Å; L98-W121 HydrophobicContact CB-CZ2 4.01Å
99F82.3Confident81.6Confident185 Ų18593.3 Ų93.381%0.81147%0.468SS*.THydrogen-bonded Turntrans46.354.6172.8-58-75000113.5R101F99-R101 PolarHBondContact O-N 2.91Å; F99-R101 VanDerWaalsContact O-N 3.09Å
100D83.8Confident83.4Confident127 Ų12794.1 Ų94.168%0.67948%0.484SS*.THydrogen-bonded Turntrans62.76.3-177.7-60.8-36.6000116.9L98 P126L98-D100 PolarHBondContact O-N 3.09Å; D100-P126 HydrophobicContact CB-CG 4.38Å; D100-P126 WeakPolarHBondContact O-CG 3.36Å
101R89.6Confident85.4Confident55 Ų5590.9 Ų90.921%0.20848%0.482CS..EExtended strand (participates in β ladder)trans-108.1143.9175.2-54.9-172.8-174.6-163.55.3110.6K97 L98 F99 W121 M122 N124 N125K97-R101 CarbonylContact C-O 3.46Å; K97-R101 VanDerWaalsContact CA-O 3.3Å; K97-R101 WeakPolarHBondContact CA-O 3.41Å; L98-R101 PolarHBondContact N-O 3.34Å; L98-R101 WeakPolarHBondContact O-CB 3.48Å; L98-R101 PolarHBondContact O-N 3.08Å; L98-R101 VanDerWaalsContact O-O 3.12Å; F99-R101 PolarHBondContact O-N 2.91Å; F99-R101 VanDerWaalsContact O-N 3.09Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; R101-M122 PolarHBondContact NH1-O 2.8Å; R101-M122 VanDerWaalsContact NH1-O 3.14Å; R101-N124 WeakPolarHBondContact CB-O 3.18Å; R101-N124 VanDerWaalsContact CD-O 3.25Å; R101-N124 WeakPolarHBondContact CD-O 3.46Å; R101-N124 WeakPolarHBondContact CG-O 3.46Å; R101-N125 VanDerWaalsContact CZ-CG 3.43Å; R101-N125 PolarHBondContact NH2-ND2 3.15Å; R101-N125 PolarHBondContact NH2-OD1 2.99Å
102S89.4Confident87.2Confident50 Ų5087.4 Ų87.435%0.3547%0.469SS..EExtended strand (participates in β ladder)trans-117.9145.3173.555.60000111.4I96 N124I96-S102 CarbonylContact O-C 3.59Å; I96-S102 WeakPolarHBondContact O-CA 3.42Å; S102-N124 PolarHBondContact N-OD1 2.78Å; S102-N124 VanDerWaalsContact O-CG 3.31Å; S102-N124 PolarHBondContact O-OD1 2.94Å
103V92.4Very high89Confident15 Ų1587.7 Ų87.79%0.09148%0.475CS..EExtended strand (participates in β ladder)trans-126.8131.516698.60000108.3I95 I96 L105 I117 A120 W121I95-V103 WeakPolarHBondContact CA-O 3.43Å; I96-V103 HydrophobicContact CB-CG1 4.5Å; I96-V103 PolarHBondContact N-O 3.42Å; I96-V103 PolarHBondContact O-N 2.96Å; V103-L105 HydrophobicContact CG1-CD2 3.81Å; V103-L105 HydrophobicContact CG1-CG 4.37Å; V103-I117 HydrophobicContact CG1-CG2 4.02Å; V103-I117 HydrophobicContact CG2-CG2 4.33Å; V103-A120 HydrophobicContact CG2-CB 4.03Å; V103-W121 HydrophobicContact CB-CB 4.05Å; V103-W121 HydrophobicContact CG2-CB 3.86Å
104D92.2Very high90.2Very high35 Ų3590.2 Ų90.219%0.18748%0.477CS..EExtended strand (participates in β ladder)trans-93.3110.4178.2176.310.9000109.2I95 A106 Q107 Y108I95-D104 HydrophobicContact CG1-CB 4.11Å; D104-A106 VanDerWaalsContact C-N 3.3Å; D104-A106 VanDerWaalsContact OD1-CB 3.29Å; D104-A106 WeakPolarHBondContact OD1-CB 3.3Å; D104-A106 PolarHBondContact OD1-N 3.28Å; D104-Q107 HydrophobicContact CB-CG 4.28Å; D104-Q107 WeakPolarHBondContact OD2-CG 3.26Å; D104-Q107 PolarHBondContact OD2-NE2 3.16Å; D104-Y108 WeakPolarHBondContact O-CD2 3.5Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å
105L90.9Very high90.6Very high53 Ų5390 Ų9028%0.27748%0.476SS..G310 helixtrans-77-16.4-179.8-57.5177.3000112.9Y94 I96 V103 Q107 Y108 I117Y94-L105 WeakPolarHBondContact O-CA 3.45Å; Y94-L105 WeakPolarHBondContact O-CB 3.25Å; Y94-L105 WeakPolarHBondContact O-CG 3.34Å; Y94-L105 PolarHBondContact O-N 3.5Å; I96-L105 HydrophobicContact CD1-CD1 3.52Å; I96-L105 HydrophobicContact CD1-CG 4.38Å; I96-L105 HydrophobicContact CG1-CD1 3.82Å; I96-L105 HydrophobicContact CG1-CG 4.38Å; V103-L105 HydrophobicContact CG1-CD2 3.81Å; V103-L105 HydrophobicContact CG1-CG 4.37Å; L105-Q107 PolarHBondContact O-N 2.98Å; L105-Y108 PolarHBondContact O-N 3.36Å; L105-I117 HydrophobicContact CD2-CG2 3.65Å
106A90Very high90.9Very high58 Ų5889.7 Ų89.748%0.47948%0.478SS..G310 helixtrans-65.6-18.8177.300000112.3Y94 D104 Y108Y94-A106 HydrophobicContact CD2-CB 4.38Å; Y94-A106 HydrophobicContact CG-CB 4.4Å; D104-A106 VanDerWaalsContact C-N 3.3Å; D104-A106 VanDerWaalsContact OD1-CB 3.29Å; D104-A106 WeakPolarHBondContact OD1-CB 3.3Å; D104-A106 PolarHBondContact OD1-N 3.28Å; A106-Y108 PolarHBondContact O-N 3.28Å
107Q89.7Confident91.1Very high136 Ų13686.9 Ų86.964%0.63646%0.464SS*.G310 helixtrans-76.2-9.4175.7-59.8179.424.200113.2D104 L105D104-Q107 HydrophobicContact CB-CG 4.28Å; D104-Q107 WeakPolarHBondContact OD2-CG 3.26Å; D104-Q107 PolarHBondContact OD2-NE2 3.16Å; L105-Q107 PolarHBondContact O-N 2.98Å
108Y90.9Very high91.3Very high56 Ų5682.1 Ų82.122%0.2245%0.449CS..SBendtrans-120.3146.2-175.2-54.7-69.8000111.3D104 L105 A106 T112 I117 A120D104-Y108 WeakPolarHBondContact O-CD2 3.5Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; L105-Y108 PolarHBondContact O-N 3.36Å; A106-Y108 PolarHBondContact O-N 3.28Å; Y108-T112 HydrophobicContact CD1-CG2 3.77Å; Y108-T112 HydrophobicContact CG-CG2 4.28Å; Y108-I117 HydrophobicContact CD1-CG1 4.03Å; Y108-I117 HydrophobicContact CD2-CB 4.46Å; Y108-I117 HydrophobicContact CD2-CD1 4.19Å; Y108-I117 HydrophobicContact CD2-CG1 3.75Å; Y108-I117 HydrophobicContact CD2-CG2 4.22Å; Y108-I117 HydrophobicContact CE1-CG1 4.26Å; Y108-I117 HydrophobicContact CE2-CB 4.31Å; Y108-I117 HydrophobicContact CE2-CG1 4.01Å; Y108-I117 HydrophobicContact CE2-CG2 4.06Å; Y108-I117 HydrophobicContact CG-CD1 4.12Å; Y108-I117 HydrophobicContact CG-CG1 3.76Å; Y108-A120 WeakPolarHBondContact OH-CB 3.42Å
109T91.3Very high91.5Very high86 Ų8683.4 Ų83.453%0.52845%0.448SS..  trans-86.2163.1172.361.60000110.4S111 T112T109-S111 PolarHBondContact O-N 3.04Å; T109-S111 VanDerWaalsContact O-N 3.16Å; T109-S111 PolarHBondContact OG1-OG 2.94Å; T109-T112 PolarHBondContact N-OG1 3.42Å; T109-T112 VanDerWaalsContact N-OG1 3.14Å; T109-T112 VanDerWaalsContact O-CB 3.24Å; T109-T112 WeakPolarHBondContact O-CB 3.5Å; T109-T112 PolarHBondContact O-N 3.42Å; T109-T112 PolarHBondContact O-OG1 3.42Å; T109-T112 PolarHBondContact OG1-N 3.31Å; T109-T112 PolarHBondContact OG1-OG1 3.39Å
110T89.4Confident92Very high160 Ų16075.6 Ų75.698%0.98242%0.418SS*.THydrogen-bonded Turntrans-62.2-19.7172.850.10000113.6T112T110-T112 VanDerWaalsContact C-N 3.34Å
111S95.2Very high92.4Very high103 Ų10373.1 Ų73.172%0.7240%0.399SS*.THydrogen-bonded Turntrans-84.2-6.9173.159.90000113.8T109 P113T109-S111 PolarHBondContact O-N 3.04Å; T109-S111 VanDerWaalsContact O-N 3.16Å; T109-S111 PolarHBondContact OG1-OG 2.94Å; S111-P113 WeakPolarHBondContact O-CD 3.23Å
112T93.6Very high92.5Very high38 Ų3874.9 Ų74.923%0.23341%0.411CS..SBendtrans-72.7123.6-179.8-58.10000109.4Y108 T109 T110 P116 I117Y108-T112 HydrophobicContact CD1-CG2 3.77Å; Y108-T112 HydrophobicContact CG-CG2 4.28Å; T109-T112 PolarHBondContact N-OG1 3.42Å; T109-T112 VanDerWaalsContact N-OG1 3.14Å; T109-T112 VanDerWaalsContact O-CB 3.24Å; T109-T112 WeakPolarHBondContact O-CB 3.5Å; T109-T112 PolarHBondContact O-N 3.42Å; T109-T112 PolarHBondContact O-OG1 3.42Å; T109-T112 PolarHBondContact OG1-N 3.31Å; T109-T112 PolarHBondContact OG1-OG1 3.39Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T112-P116 HydrophobicContact CG2-CB 4.25Å; T112-P116 HydrophobicContact CG2-CG 4.35Å; T112-I117 HydrophobicContact CG2-CD1 4.39Å; T112-I117 HydrophobicContact CG2-CG1 4.21Å
113P95.3Very high92.4Very high86 Ų8681.2 Ų81.256%0.55843%0.427SS*.  trans-64.515617626-32.3000110.7S111 Y115 P116S111-P113 WeakPolarHBondContact O-CD 3.23Å; P113-Y115 PolarHBondContact O-N 3.02Å; P113-Y115 VanDerWaalsContact O-N 3.16Å; P113-P116 HydrophobicContact CG-CG 4.14Å; P113-P116 VanDerWaalsContact O-CD 3.26Å; P113-P116 WeakPolarHBondContact O-CD 2.97Å
114L94.7Very high92.2Very high127 Ų12784 Ų8467%0.66544%0.441SS*.Hα-helixtrans-61.6-28.8-175.6-176.759.4000113.4I117 C118L114-I117 WeakPolarHBondContact O-CB 3.48Å; L114-I117 PolarHBondContact O-N 3.29Å; L114-I117 VanDerWaalsContact O-N 3.16Å; L114-C118 PolarHBondContact O-N 3.19Å; L114-C118 PolarHBondContact O-SG 3.29Å
115Y95.7Very high91.7Very high144 Ų14484.2 Ų84.257%0.56544%0.443SS*.Hα-helixtrans-60.6-51.4-172.9-178.6-96.1000114.5P113 I117 C118 R119P113-Y115 PolarHBondContact O-N 3.02Å; P113-Y115 VanDerWaalsContact O-N 3.16Å; Y115-I117 PolarHBondContact O-N 2.94Å; Y115-C118 PolarHBondContact O-N 3.09Å; Y115-R119 HydrophobicContact CD1-CG 4.28Å; Y115-R119 HydrophobicContact CE1-CG 3.78Å; Y115-R119 HydrophobicContact CE2-CG 4.38Å; Y115-R119 WeakPolarHBondContact O-CB 3.46Å; Y115-R119 PolarHBondContact O-N 3.11Å; Y115-R119 PolarHBondContact OH-NE 3.32Å; Y115-R119 PolarHBondContact OH-NH2 2.95Å; Y115-R119 VanDerWaalsContact OH-NH2 3.13Å
116P94.5Very high90.9Very high53 Ų5384.6 Ų84.634%0.34445%0.448SS..Hα-helixtrans-50.7-40.3171-30.330.9000114.7T112 P113 R119 A120T112-P116 HydrophobicContact CG2-CB 4.25Å; T112-P116 HydrophobicContact CG2-CG 4.35Å; P113-P116 HydrophobicContact CG-CG 4.14Å; P113-P116 VanDerWaalsContact O-CD 3.26Å; P113-P116 WeakPolarHBondContact O-CD 2.97Å; P116-R119 PolarHBondContact O-N 3.34Å; P116-A120 PolarHBondContact O-N 2.91Å
117I94.3Very high90Very high24 Ų2486.3 Ų86.312%0.12346%0.462CS..Hα-helixtrans-68.3-48.6-178.9-51.9176.8000109.6V103 L105 Y108 T112 L114 Y115 R119 A120 W121V103-I117 HydrophobicContact CG1-CG2 4.02Å; V103-I117 HydrophobicContact CG2-CG2 4.33Å; L105-I117 HydrophobicContact CD2-CG2 3.65Å; Y108-I117 HydrophobicContact CD1-CG1 4.03Å; Y108-I117 HydrophobicContact CD2-CB 4.46Å; Y108-I117 HydrophobicContact CD2-CD1 4.19Å; Y108-I117 HydrophobicContact CD2-CG1 3.75Å; Y108-I117 HydrophobicContact CD2-CG2 4.22Å; Y108-I117 HydrophobicContact CE1-CG1 4.26Å; Y108-I117 HydrophobicContact CE2-CB 4.31Å; Y108-I117 HydrophobicContact CE2-CG1 4.01Å; Y108-I117 HydrophobicContact CE2-CG2 4.06Å; Y108-I117 HydrophobicContact CG-CD1 4.12Å; Y108-I117 HydrophobicContact CG-CG1 3.76Å; T112-I117 HydrophobicContact CG2-CD1 4.39Å; T112-I117 HydrophobicContact CG2-CG1 4.21Å; L114-I117 WeakPolarHBondContact O-CB 3.48Å; L114-I117 PolarHBondContact O-N 3.29Å; L114-I117 VanDerWaalsContact O-N 3.16Å; Y115-I117 PolarHBondContact O-N 2.94Å; I117-R119 VanDerWaalsContact C-N 3.28Å; I117-R119 PolarHBondContact O-N 3.36Å; I117-A120 PolarHBondContact O-N 3.09Å; I117-W121 PolarHBondContact O-N 3.17Å
118C93.4Very high88.8Confident52 Ų5284.9 Ų84.935%0.35146%0.462SS..Hα-helixtrans-59.8-38.2174.4-66.90000112.4L114 Y115 W121 M122L114-C118 PolarHBondContact O-N 3.19Å; L114-C118 PolarHBondContact O-SG 3.29Å; Y115-C118 PolarHBondContact O-N 3.09Å; C118-W121 PolarHBondContact O-N 3.5Å; C118-M122 WeakPolarHBondContact O-CG 3.41Å; C118-M122 PolarHBondContact O-N 3.23Å
119R93.6Very high87.2Confident109 Ų10992.1 Ų92.141%0.41149%0.489SS..Hα-helixtrans-64.1-41.8175.7-87.7-74-168.3171.95.9112.4Y115 P116 I117 M122 R123Y115-R119 HydrophobicContact CD1-CG 4.28Å; Y115-R119 HydrophobicContact CE1-CG 3.78Å; Y115-R119 HydrophobicContact CE2-CG 4.38Å; Y115-R119 WeakPolarHBondContact O-CB 3.46Å; Y115-R119 PolarHBondContact O-N 3.11Å; Y115-R119 PolarHBondContact OH-NE 3.32Å; Y115-R119 PolarHBondContact OH-NH2 2.95Å; Y115-R119 VanDerWaalsContact OH-NH2 3.13Å; P116-R119 PolarHBondContact O-N 3.34Å; I117-R119 VanDerWaalsContact C-N 3.28Å; I117-R119 PolarHBondContact O-N 3.36Å; R119-M122 HydrophobicContact CG-CE 4.19Å; R119-M122 PolarHBondContact O-N 2.98Å; R119-R123 WeakPolarHBondContact O-CG 3.48Å; R119-R123 PolarHBondContact O-N 3Å; R119-R123 VanDerWaalsContact O-N 3.15Å
120A92.2Very high85.4Confident21 Ų2196 Ų9617%0.17450%0.501CS..Hα-helixtrans-64-43.7175.600000111.7V103 Y108 P116 I117 M122 R123 N124V103-A120 HydrophobicContact CG2-CB 4.03Å; Y108-A120 WeakPolarHBondContact OH-CB 3.42Å; P116-A120 PolarHBondContact O-N 2.91Å; I117-A120 PolarHBondContact O-N 3.09Å; A120-M122 PolarHBondContact O-N 3.1Å; A120-R123 PolarHBondContact O-N 3.14Å; A120-R123 VanDerWaalsContact O-N 3.14Å; A120-N124 PolarHBondContact O-N 3.15Å
121W92.5Very high83.4Confident75 Ų75100 Ų10028%0.28450%0.499SS..Hα-helixtrans-60.2-42174.9-178.970.9000112.8L98 R101 V103 I117 C118 R123 N124L98-W121 HydrophobicContact CB-CZ2 4.01Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; V103-W121 HydrophobicContact CB-CB 4.05Å; V103-W121 HydrophobicContact CG2-CB 3.86Å; I117-W121 PolarHBondContact O-N 3.17Å; C118-W121 PolarHBondContact O-N 3.5Å; W121-R123 VanDerWaalsContact C-N 3.3Å; W121-R123 PolarHBondContact O-N 2.95Å; W121-N124 PolarHBondContact O-N 3.29Å
122M90.6Very high81.2Confident91 Ų9198.6 Ų98.645%0.44849%0.493SS..Hα-helixtrans-64.2-32.6175.8-76.2-173.3-72.900113.3R101 C118 R119 A120R101-M122 PolarHBondContact NH1-O 2.8Å; R101-M122 VanDerWaalsContact NH1-O 3.14Å; C118-M122 WeakPolarHBondContact O-CG 3.41Å; C118-M122 PolarHBondContact O-N 3.23Å; R119-M122 HydrophobicContact CG-CE 4.19Å; R119-M122 PolarHBondContact O-N 2.98Å; A120-M122 PolarHBondContact O-N 3.1Å
123R88.7Confident79.1Confident184 Ų184101.4 Ų101.469%0.69452%0.52SS*.Hα-helixtrans-75.6-32.1176-70.5-172.8-161.5101.5-5.7112.9R119 A120 W121 N125R119-R123 WeakPolarHBondContact O-CG 3.48Å; R119-R123 PolarHBondContact O-N 3Å; R119-R123 VanDerWaalsContact O-N 3.15Å; A120-R123 PolarHBondContact O-N 3.14Å; A120-R123 VanDerWaalsContact O-N 3.14Å; W121-R123 VanDerWaalsContact C-N 3.3Å; W121-R123 PolarHBondContact O-N 2.95Å; R123-N125 PolarHBondContact O-N 3.13Å
124N86.9Confident76.9Confident73 Ų73102.1 Ų102.139%0.3953%0.527SS..  trans-72.567.7173.3-171.1-93.6000109.9R101 S102 A120 W121 P126R101-N124 WeakPolarHBondContact CB-O 3.18Å; R101-N124 VanDerWaalsContact CD-O 3.25Å; R101-N124 WeakPolarHBondContact CD-O 3.46Å; R101-N124 WeakPolarHBondContact CG-O 3.46Å; S102-N124 PolarHBondContact N-OD1 2.78Å; S102-N124 VanDerWaalsContact O-CG 3.31Å; S102-N124 PolarHBondContact O-OD1 2.94Å; A120-N124 PolarHBondContact O-N 3.15Å; W121-N124 PolarHBondContact O-N 3.29Å; N124-P126 WeakPolarHBondContact O-CD 3.13Å
125N82.3Confident74.7Confident40 Ų40101.6 Ų101.621%0.21453%0.532CS..  trans-111.298.9-178.4-172.76.3000110.2R101 R123 A127 V128R101-N125 VanDerWaalsContact CZ-CG 3.43Å; R101-N125 PolarHBondContact NH2-ND2 3.15Å; R101-N125 PolarHBondContact NH2-OD1 2.99Å; R123-N125 PolarHBondContact O-N 3.13Å; N125-A127 PolarHBondContact O-N 3.18Å; N125-A127 WeakPolarHBondContact OD1-CB 3.38Å; N125-A127 PolarHBondContact OD1-N 3.26Å; N125-V128 HydrophobicContact CB-CB 4.27Å; N125-V128 HydrophobicContact CB-CG2 4.48Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.25Å; N125-V128 CarbonylContact O-C 3.36Å; N125-V128 PolarHBondContact O-N 3.14Å
126P74.4Confident72.4Confident61 Ų6199.3 Ų99.340%0.39654%0.537SS..G310 helixtrans-67.4-21.6-179.728.7-35000112.9D100 N124 V128 R129D100-P126 HydrophobicContact CB-CG 4.38Å; D100-P126 WeakPolarHBondContact O-CG 3.36Å; N124-P126 WeakPolarHBondContact O-CD 3.13Å; P126-V128 PolarHBondContact O-N 3.09Å; P126-R129 VanDerWaalsContact O-CB 3.29Å; P126-R129 WeakPolarHBondContact O-CB 3.42Å; P126-R129 WeakPolarHBondContact O-CG 3.46Å; P126-R129 PolarHBondContact O-N 3Å; P126-R129 VanDerWaalsContact O-N 3.09Å
127A71.6Confident70.1Confident93 Ų93102 Ų10277%0.76955%0.554SS**G310 helixtrans-70.8-17.9173.100000112.7N125 R129N125-A127 PolarHBondContact O-N 3.18Å; N125-A127 WeakPolarHBondContact OD1-CB 3.38Å; N125-A127 PolarHBondContact OD1-N 3.26Å; A127-R129 VanDerWaalsContact C-N 3.34Å
128V64.2Low67.6Low106 Ų106106.8 Ų106.864%0.64259%0.587SS**G310 helixtrans-104.433.8171.1-179.20000108.8N125 P126 E130N125-V128 HydrophobicContact CB-CB 4.27Å; N125-V128 HydrophobicContact CB-CG2 4.48Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.25Å; N125-V128 CarbonylContact O-C 3.36Å; N125-V128 PolarHBondContact O-N 3.14Å; P126-V128 PolarHBondContact O-N 3.09Å; V128-E130 VanDerWaalsContact C-N 3.32Å; V128-E130 PolarHBondContact O-N 3.41Å
129R57Low65.2Low208 Ų208112.2 Ų112.279%0.78561%0.607SS**  trans-55.8104.2161.9-87.2-98.6175.5169.7-3.8107.1P126 A127 R131P126-R129 VanDerWaalsContact O-CB 3.29Å; P126-R129 WeakPolarHBondContact O-CB 3.42Å; P126-R129 WeakPolarHBondContact O-CG 3.46Å; P126-R129 PolarHBondContact O-N 3Å; P126-R129 VanDerWaalsContact O-N 3.09Å; A127-R129 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 3.3Å
130E53.7Low62.4Low167 Ų167112.7 Ų112.778%0.7863%0.626SS**  trans18.396.4161.3-66.4177.8161.600113.3V128 A132V128-E130 VanDerWaalsContact C-N 3.32Å; V128-E130 PolarHBondContact O-N 3.41Å; E130-A132 PolarHBondContact O-N 3.23Å
131R47.1Very low60Low245 Ų245119.8 Ų119.893%0.92566%0.658SS**  trans-54.298.1133179.1178.1-67.1-175.9-1.4103.1R129 A133R129-R131 PolarHBondContact O-N 3.3Å; R131-A133 PolarHBondContact O-N 3.39Å
132A48.9Very low57.2Low73 Ų73119.1 Ų119.160%0.60367%0.674SS**  trans-39.2121.9175.600000105.5E130 S134E130-A132 PolarHBondContact O-N 3.23Å; A132-S134 VanDerWaalsContact C-N 3.29Å; A132-S134 PolarHBondContact O-N 3.2Å
133A50.6Low54.9Low97 Ų97124.4 Ų124.480%0.80270%0.698SS**  trans-48.8109.7171.600000104.8R131R131-A133 PolarHBondContact O-N 3.39Å
134S48Very low52.8Low101 Ų101123.7 Ų123.771%0.70670%0.703SS**  trans-48131.3175.1-172.70000105.4A132 S136A132-S134 VanDerWaalsContact C-N 3.29Å; A132-S134 PolarHBondContact O-N 3.2Å; S134-S136 PolarHBondContact O-N 2.78Å
135P47.8Very low50.8Low117 Ų117128.7 Ų128.776%0.7672%0.723SS**  trans-52.4114.4-176.221.5-31.6000107
136S47.9Very low49Very low95 Ų95131.5 Ų131.566%0.66475%0.753SS**PPolyproline II helixtrans-55.8133.3174.1410000107.2S134S134-S136 PolarHBondContact O-N 2.78Å
137P45.9Very low47.4Very low109 Ų109132.5 Ų132.571%0.70877%0.766SS**PPolyproline II helixtrans-54.5145.1175.6-18.629.3000109.5H139P137-H139 PolarHBondContact O-N 3.39Å
138P43.3Very low46Very low125 Ų125132.6 Ų132.681%0.81275%0.754SS**PPolyproline II helixtrans-56.1126.5-176.923-31.8000109.8S140P138-S140 PolarHBondContact O-N 2.75Å
139H42.7Very low45.3Very low167 Ų167135.9 Ų135.977%0.77376%0.764SS**  trans-59.399.4168-88.4-65.8000109P137 M141P137-H139 PolarHBondContact O-N 3.39Å; H139-M141 PolarHBondContact O-N 3.49Å
140S35Very low44.8Very low118 Ų118133.6 Ų133.683%0.82577%0.766SS**  trans-76.7102.5155.8-175.40000107.1P138P138-S140 PolarHBondContact O-N 2.75Å
141M41Very low44.3Very low171 Ų171131.3 Ų131.384%0.84276%0.76SS**  trans-97122.2165.5-72.9-75.6-66.400106.9H139H139-M141 PolarHBondContact O-N 3.49Å
142G34.7Very low44.7Very low60 Ų60122.3 Ų122.362%0.61974%0.743SS**SBendtrans148.295.5163.800000114E144G142-E144 PolarHBondContact O-N 2.84Å
143E41.4Very low44.9Very low202 Ų202128.6 Ų128.694%0.94476%0.757SS**SBendtrans45.560.8141.8-61.5-170.1147.100119
144E44Very low45.1Very low170 Ų170126.7 Ų126.779%0.79475%0.747SS**  trans-148.91.4159.1-139.3-174.6137.800116.1G142 A146G142-E144 PolarHBondContact O-N 2.84Å; E144-A146 VanDerWaalsContact C-N 3.35Å; E144-A146 PolarHBondContact O-N 3.14Å
145E45.1Very low45.9Very low177 Ų177127.9 Ų127.983%0.82774%0.741SS**THydrogen-bonded Turntrans-92.617.1-178.8-80.7-173.7149.800114.4A147E145-A147 VanDerWaalsContact C-N 3.34Å
146A44.2Very low47.1Very low100 Ų100128 Ų12883%0.82674%0.735SS**THydrogen-bonded Turntrans-81.1-18.1167.800000112.3E144E144-A146 VanDerWaalsContact C-N 3.35Å; E144-A146 PolarHBondContact O-N 3.14Å
147A40.8Very low48.5Very low82 Ų82126.1 Ų126.168%0.67872%0.72SS**SBendtrans-91.5-18.6-176.300000114E145E145-A147 VanDerWaalsContact C-N 3.34Å
148D43.8Very low50.3Low95 Ų95130.7 Ų130.751%0.50872%0.724SS.*G310 helixtrans-95.47.1-171-139.918.7000114.3L150D148-L150 PolarHBondContact O-N 3.12Å; D148-L150 VanDerWaalsContact O-N 3.08Å
149M49.3Very low52.4Low174 Ų174134.5 Ų134.586%0.85772%0.723SS**G310 helixtrans-70.33.5170-63.6-158.274.500113.4
150L46.7Very low54.7Low160 Ų160129.9 Ų129.984%0.83870%0.703SS**G310 helixtrans-124.741.8-177.4-163.768.9000112.3D148D148-L150 PolarHBondContact O-N 3.12Å; D148-L150 VanDerWaalsContact O-N 3.08Å
151N42.7Very low57.3Low120 Ų120126.5 Ų126.564%0.64268%0.679SS**  trans-144.997.2156.9-157.534.5000111.4
152G55Low59.5Low56 Ų56123.2 Ų123.258%0.57767%0.67SS**  trans-59.5163175.400000112.2
153K52.3Low62.1Low204 Ų204122.6 Ų122.689%0.88766%0.655SS**SBendtrans8988.8166.8-37.7-164.3-162.3-158.60114.4
154G56.3Low64.4Low58 Ų58117.2 Ų117.260%0.59864%0.636SS**  trans101.422.7151.100000117.6N156G154-N156 PolarHBondContact O-N 3.49Å
155Q65.1Low66.2Low126 Ų126113.9 Ų113.959%0.58963%0.632SS**  trans-71.2126.2172.9-68.4-179.82100110.7V157Q155-V157 PolarHBondContact O-N 3.02Å
156N71.9Confident67.9Low119 Ų119107.9 Ų107.964%0.63661%0.608SS**  trans-65113.5171.8-76-48.9000109.2G154 Y158G154-N156 PolarHBondContact O-N 3.49Å; N156-Y158 HydrophobicContact CB-CD2 4.4Å; N156-Y158 HydrophobicContact CB-CE1 4.28Å; N156-Y158 HydrophobicContact CB-CE2 3.67Å; N156-Y158 WeakPolarHBondContact O-CD2 3.08Å; N156-Y158 WeakPolarHBondContact O-CE2 3.28Å; N156-Y158 PolarHBondContact O-N 3.26Å
157V78.2Confident69.7Low55 Ų55105.5 Ų105.533%0.33359%0.585SS.*  trans-79.9100.4179-178.40000109.1Q155 R159 L160 I232 M236Q155-V157 PolarHBondContact O-N 3.02Å; V157-R159 WeakPolarHBondContact CG1-O 3.34Å; V157-L160 HydrophobicContact CG1-CD2 4.4Å; V157-I232 HydrophobicContact CB-CG2 4.33Å; V157-I232 HydrophobicContact CG1-CG2 3.96Å; V157-I232 HydrophobicContact CG2-CG2 3.73Å; V157-M236 HydrophobicContact CB-CE 4.03Å; V157-M236 HydrophobicContact CB-SD 3.97Å; V157-M236 HydrophobicContact CG2-CE 4.37Å; V157-M236 HydrophobicContact CG2-SD 4.06Å
158Y83.9Confident71.7Confident205 Ų205107.4 Ų107.480%0.80458%0.583SS**  trans-84.2-20.7176.8-61.2-75.6000113.3N156N156-Y158 HydrophobicContact CB-CD2 4.4Å; N156-Y158 HydrophobicContact CB-CE1 4.28Å; N156-Y158 HydrophobicContact CB-CE2 3.67Å; N156-Y158 WeakPolarHBondContact O-CD2 3.08Å; N156-Y158 WeakPolarHBondContact O-CE2 3.28Å; N156-Y158 PolarHBondContact O-N 3.26Å
159R87.1Confident73.4Confident206 Ų206106.5 Ų106.578%0.77758%0.578SS**SBendtrans-149.2139179.2-168.8-177.9179.8-1560.9111V157V157-R159 WeakPolarHBondContact CG1-O 3.34Å
160L89.8Confident74.8Confident70 Ų70104.9 Ų104.937%0.36658%0.58SS.*PPolyproline II helixtrans-76.1146.4172-65.8173.7000111V157 I232 L233V157-L160 HydrophobicContact CG1-CD2 4.4Å; L160-I232 HydrophobicContact CD2-CB 4.41Å; L160-I232 HydrophobicContact CD2-CG2 4.17Å; L160-L233 HydrophobicContact CD1-CD1 4.17Å; L160-L233 HydrophobicContact CD1-CD2 4.39Å; L160-L233 HydrophobicContact CD1-CG 4.38Å; L160-L233 HydrophobicContact CD2-CD2 4.18Å; L160-L233 HydrophobicContact CD2-CG 4.12Å
161P89.1Confident76.4Confident47 Ų47102 Ų10231%0.30557%0.573SS.*PPolyproline II helixtrans-54.7144.8173.6-24.932.9000111.8E228 S229 I232P161-E228 HydrophobicContact CB-CB 4.49Å; P161-E228 HydrophobicContact CG-CB 4.38Å; P161-S229 PolarHBondContact O-OG 3.07Å; P161-I232 HydrophobicContact CG-CD1 3.5Å
162P88.2Confident78.1Confident101 Ų10198.3 Ų98.366%0.65656%0.564SS**PPolyproline II helixtrans-63.4146.3173.628.1-33.5000110.4
163P89.9Confident79.4Confident48 Ų48100.4 Ų100.431%0.31256%0.562SS.*PPolyproline II helixtrans-65.4153.3176.827.3-33.5000111R225 Y226P163-R225 VanDerWaalsContact CA-O 3.23Å; P163-R225 WeakPolarHBondContact CA-O 3.49Å; P163-R225 HydrophobicContact CB-CB 4.16Å; P163-R225 WeakPolarHBondContact CB-O 3.3Å; P163-Y226 HydrophobicContact CB-CD1 3.84Å; P163-Y226 HydrophobicContact CB-CE1 3.61Å; P163-Y226 HydrophobicContact CB-CE2 4.36Å; P163-Y226 HydrophobicContact CB-CG 4.32Å; P163-Y226 HydrophobicContact CG-CD1 4.41Å; P163-Y226 HydrophobicContact CG-CE1 3.77Å
164T88.2Confident80.7Confident89 Ų8995.1 Ų95.155%0.54655%0.548SS..PPolyproline II helixtrans-51.4144.5169.8-42.20000110R225T164-R225 PolarHBondContact N-O 3.22Å; T164-R225 VanDerWaalsContact N-O 3.08Å; T164-R225 PolarHBondContact O-NE 3.42Å; T164-R225 PolarHBondContact O-NH2 3.33Å
165S82.6Confident81.9Confident100 Ų10094.1 Ų94.170%0.69953%0.531SS*.PPolyproline II helixtrans-53.6149.6-178.450.40000112.5
166C81.3Confident82.6Confident50 Ų5092.6 Ų92.634%0.33853%0.527SS..PPolyproline II helixtrans-62.3135.4173.8-76.20000108.8P174 R225C166-P174 HydrophobicContact CB-CB 4.29Å; C166-R225 PolarHBondContact SG-NH1 3.49Å; C166-R225 PolarHBondContact SG-NH2 2.9Å
167P81.2Confident83.1Confident51 Ų5187.8 Ų87.833%0.33150%0.501SS..PPolyproline II helixtrans-61.8144.1168.825.9-29.7000109.2V175 L177P167-V175 HydrophobicContact CG-CB 4.39Å; P167-V175 WeakPolarHBondContact O-CB 3.06Å; P167-V175 WeakPolarHBondContact O-CG2 3.49Å; P167-V175 PolarHBondContact O-N 3.27Å; P167-L177 HydrophobicContact CG-CD1 3.79Å; P167-L177 HydrophobicContact CG-CD2 3.75Å; P167-L177 HydrophobicContact CG-CG 3.94Å
168L83.5Confident83.2Confident121 Ų12192.8 Ų92.863%0.63451%0.514SS*.BIsolated β-bridgetrans-97.6143178.3-64.7147.3000108.7G172 D173L168-G172 WeakPolarHBondContact CD2-O 3.21Å; L168-D173 WeakPolarHBondContact CA-O 3.4Å
169N80.1Confident83.2Confident77 Ų7787.5 Ų87.541%0.41250%0.498SS..PPolyproline II helixtrans-69.1164.9167.5-85.4-31.6000110.3S171 G172 D173 V175N169-S171 PolarHBondContact O-N 3.09Å; N169-G172 PolarHBondContact O-N 3.37Å; N169-D173 PolarHBondContact N-O 3.01Å; N169-V175 HydrophobicContact CB-CG2 4.12Å; N169-V175 WeakPolarHBondContact OD1-CG2 3.29Å
170P78.2Confident82.9Confident139 Ų13978.6 Ų78.690%0.90347%0.467SS*.THydrogen-bonded Turntrans-56.5-23.2173.122.3-33.9000113.5G172P170-G172 VanDerWaalsContact C-N 3.3Å
171S80.9Confident82.2Confident99 Ų9980.4 Ų80.469%0.69249%0.486SS*.THydrogen-bonded Turntrans-81.1-1.8174.1-47.30000114.4N169N169-S171 PolarHBondContact O-N 3.09Å
172G78.5Confident81.1Confident44 Ų4483.7 Ų83.745%0.45451%0.505SS..SBendtrans84.91.3-178.200000115.3L168 N169 P170L168-G172 WeakPolarHBondContact CD2-O 3.21Å; N169-G172 PolarHBondContact O-N 3.37Å; P170-G172 VanDerWaalsContact C-N 3.3Å
173D80.6Confident79.9Confident100 Ų10086 Ų8654%0.53551%0.507SS..PPolyproline II helixtrans-83.8141.3178.9-64.6-44.8000112.3L168 N169 V175L168-D173 WeakPolarHBondContact CA-O 3.4Å; N169-D173 PolarHBondContact N-O 3.01Å; D173-V175 PolarHBondContact O-N 2.93Å
174P79.6Confident78.4Confident92 Ų9292.4 Ų92.460%0.59753%0.53SS*.BIsolated β-bridgetrans-65.9127.2177.125.5-32.5000111.5C166C166-P174 HydrophobicContact CB-CB 4.29Å
175V81.8Confident76.9Confident37 Ų3792.5 Ų92.522%0.22453%0.532CS..PPolyproline II helixtrans-80.5126.1179.9-172.40000110.6P167 N169 D173 L177P167-V175 HydrophobicContact CG-CB 4.39Å; P167-V175 WeakPolarHBondContact O-CB 3.06Å; P167-V175 WeakPolarHBondContact O-CG2 3.49Å; P167-V175 PolarHBondContact O-N 3.27Å; N169-V175 HydrophobicContact CB-CG2 4.12Å; N169-V175 WeakPolarHBondContact OD1-CG2 3.29Å; D173-V175 PolarHBondContact O-N 2.93Å; V175-L177 HydrophobicContact CG1-CD2 4.34Å; V175-L177 PolarHBondContact O-N 3.37Å; V175-L177 VanDerWaalsContact O-N 3.09Å
176N80.8Confident75.2Confident94 Ų9494.9 Ų94.950%0.50354%0.535SS..  trans-75.299170-171.7-15.6000110.4R178 I179N176-R178 VanDerWaalsContact C-N 3.25Å; N176-R178 PolarHBondContact O-N 3.49Å; N176-R178 WeakPolarHBondContact OD1-CB 3.47Å; N176-R178 PolarHBondContact OD1-N 2.9Å; N176-I179 VanDerWaalsContact O-O 3.1Å
177L80.8Confident73.6Confident18 Ų1899 Ų999%0.09456%0.559CS.*THydrogen-bonded Turntrans-72.1-12.5179.5-65.6175.8000114.5P167 V175 I179 A218 K221 N222 R225P167-L177 HydrophobicContact CG-CD1 3.79Å; P167-L177 HydrophobicContact CG-CD2 3.75Å; P167-L177 HydrophobicContact CG-CG 3.94Å; V175-L177 HydrophobicContact CG1-CD2 4.34Å; V175-L177 PolarHBondContact O-N 3.37Å; V175-L177 VanDerWaalsContact O-N 3.09Å; L177-I179 VanDerWaalsContact C-N 3.31Å; L177-A218 CarbonylContact O-C 3.54Å; L177-A218 WeakPolarHBondContact O-CB 3.36Å; L177-K221 HydrophobicContact CD1-CG 4.33Å; L177-K221 HydrophobicContact CD2-CD 3.94Å; L177-K221 HydrophobicContact CD2-CG 4.26Å; L177-N222 HydrophobicContact CB-CB 3.96Å; L177-R225 HydrophobicContact CD1-CG 4.41Å
178R80.5Confident71.9Confident161 Ų161100.8 Ų100.861%0.60857%0.573SS**THydrogen-bonded Turntrans-75.2-24.2178.9-69.5-175.5-179.11480.2112.8N176N176-R178 VanDerWaalsContact C-N 3.25Å; N176-R178 PolarHBondContact O-N 3.49Å; N176-R178 WeakPolarHBondContact OD1-CB 3.47Å; N176-R178 PolarHBondContact OD1-N 2.9Å
179I84.1Confident69.9Low94 Ų94103.6 Ų103.648%0.48258%0.58SS.*SBendtrans-116.1118.4-176.5-56.7176.3000106.9N176 L177 S181 W215N176-I179 VanDerWaalsContact O-O 3.1Å; L177-I179 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 3.28Å; I179-W215 HydrophobicContact CG2-CH2 4.27Å
180P81.8Confident68.5Low18 Ų18105.4 Ų105.412%0.11760%0.599CS.*  trans-57.3141.1174.5-19.529.4000110.5T182 K214 W215 A218P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.07Å; P180-K214 HydrophobicContact CB-CB 4.16Å; P180-K214 HydrophobicContact CG-CB 4.42Å; P180-W215 HydrophobicContact CG-CB 4.24Å; P180-W215 HydrophobicContact CG-CD2 3.73Å; P180-W215 HydrophobicContact CG-CE3 4.18Å; P180-W215 HydrophobicContact CG-CG 3.75Å; P180-A218 HydrophobicContact CB-CB 4.28Å; P180-A218 HydrophobicContact CG-CB 3.76Å
181S74.1Confident66.8Low109 Ų109103.7 Ų103.776%0.76259%0.586SS**  trans-58.9117.6171-174.10000109.2I179 E183I179-S181 PolarHBondContact O-N 3.28Å; S181-E183 PolarHBondContact O-N 3.48Å
182T67.1Low65.1Low116 Ų116106.6 Ų106.671%0.71259%0.593SS**  trans-81.2102.117656.80000107.9P180 K184P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.07Å; T182-K184 PolarHBondContact O-N 2.91Å; T182-K184 VanDerWaalsContact O-N 3.1Å
183E62.8Low63.7Low150 Ų150109 Ų10970%0.70160%0.599SS**PPolyproline II helixtrans-58.9116.5158.1-77.6166.714600106.9S181 K214S181-E183 PolarHBondContact O-N 3.48Å; E183-K214 IonicContact OE2-NZ 3.02Å; E183-K214 PolarHBondContact OE2-NZ 3.31Å
184K58.4Low62.3Low182 Ų182109.3 Ų109.379%0.79162%0.616SS**PPolyproline II helixtrans-55.2130.8171.4-66.5-177.7-179.3-179.90106.5T182 I186T182-K184 PolarHBondContact O-N 2.91Å; T182-K184 VanDerWaalsContact O-N 3.1Å; K184-I186 PolarHBondContact O-N 3.03Å
185P56.5Low61.1Low90 Ų90110.5 Ų110.558%0.58462%0.617SS**PPolyproline II helixtrans-56.5119.1177.222.8-30.5000107.5V187P185-V187 VanDerWaalsContact C-N 3.32Å; P185-V187 PolarHBondContact O-N 2.92Å
186I47.3Very low60Low150 Ų150114 Ų11477%0.76964%0.638SS**  trans-60.4105.4167.4-63167.9000103.9K184 S188K184-I186 PolarHBondContact O-N 3.03Å; I186-S188 PolarHBondContact O-N 3.22Å
187V46.9Very low59.1Low136 Ų136114 Ų11482%0.82465%0.645SS**  trans-71.569.2170.3-177.80000106.1P185 K189P185-V187 VanDerWaalsContact C-N 3.32Å; P185-V187 PolarHBondContact O-N 2.92Å; V187-K189 PolarHBondContact O-N 3.5Å; V187-K189 VanDerWaalsContact O-N 3.15Å
188S45.8Very low58.7Low90 Ų90115 Ų11563%0.62966%0.66SS**  trans-8194.217053.50000107.1I186I186-S188 PolarHBondContact O-N 3.22Å
189K42.2Very low58.7Low180 Ų180110.6 Ų110.678%0.78365%0.652SS**  trans62.3117.3151.9-60.6-179.2178.9-1800116.6V187 T191V187-K189 PolarHBondContact O-N 3.5Å; V187-K189 VanDerWaalsContact O-N 3.15Å; K189-T191 PolarHBondContact O-N 2.94Å; K189-T191 VanDerWaalsContact O-N 3.11Å
190S49.2Very low58.7Low115 Ų115110.7 Ų110.780%0.80465%0.653SS**  trans-28.4107.7149.249.80000112.4
191T43.4Very low59Low103 Ų103114.4 Ų114.463%0.63267%0.671SS**  trans-98.885.5154.6-52.70000105.7K189 T193 L195K189-T191 PolarHBondContact O-N 2.94Å; K189-T191 VanDerWaalsContact O-N 3.11Å; T191-T193 VanDerWaalsContact CG2-OG1 3.25Å; T191-T193 WeakPolarHBondContact CG2-OG1 3.11Å; T191-T193 PolarHBondContact O-N 3.25Å; T191-L195 HydrophobicContact CG2-CD1 4.3Å
192D45Very low59.7Low160 Ų160116.1 Ų116.186%0.85666%0.662SS**  trans-64.380.2161-166.414.2000107.1
193T49.7Very low60.7Low94 Ų94115.6 Ų115.658%0.57765%0.654SS**SBendtrans-155.9120.4168.5-28.20000104.6T191 L195T191-T193 VanDerWaalsContact CG2-OG1 3.25Å; T191-T193 WeakPolarHBondContact CG2-OG1 3.11Å; T191-T193 PolarHBondContact O-N 3.25Å; T193-L195 PolarHBondContact O-N 2.85Å
194A51.1Low62Low107 Ų107111.9 Ų111.988%0.88464%0.637SS**  trans-59.876.1177.300000110.3V196A194-V196 PolarHBondContact O-N 3.37Å
195L53.4Low63.6Low117 Ų117106.8 Ų106.861%0.61362%0.618SS**  trans-76.8109.3175.2-89156.7000106T191 T193 S197T191-L195 HydrophobicContact CG2-CD1 4.3Å; T193-L195 PolarHBondContact O-N 2.85Å; L195-S197 PolarHBondContact O-N 3.07Å
196V59Low65.3Low111 Ų111105 Ų10567%0.67360%0.601SS**  trans-21.1130165.71760000111.4A194 G198 P199A194-V196 PolarHBondContact O-N 3.37Å; V196-G198 PolarHBondContact O-N 2.91Å; V196-P199 WeakPolarHBondContact O-CD 3.46Å
197S62.1Low67.4Low94 Ų94104.1 Ų104.166%0.65759%0.588SS**Hα-helixtrans-51.9-25.7-175.1-1770000114.6L195 L200 I201L195-S197 PolarHBondContact O-N 3.07Å; S197-L200 PolarHBondContact O-N 3Å; S197-I201 PolarHBondContact O-N 2.84Å; S197-I201 VanDerWaalsContact O-N 3.09Å
198G72Confident69.6Low39 Ų39104.2 Ų104.240%0.40257%0.574SS.*Hα-helixtrans-58.6-56.6-178.600000115.3V196 L200 I201 Y202V196-G198 PolarHBondContact O-N 2.91Å; G198-L200 VanDerWaalsContact C-N 3.29Å; G198-L200 PolarHBondContact O-N 3.48Å; G198-I201 WeakPolarHBondContact O-CG2 3.4Å; G198-I201 PolarHBondContact O-N 2.86Å; G198-Y202 PolarHBondContact O-N 3.32Å
199P80.4Confident71.9Confident67 Ų67104.7 Ų104.744%0.43557%0.565SS.*Hα-helixtrans-58.2-35.2173.5-31.231000114.8V196 N203V196-P199 WeakPolarHBondContact O-CD 3.46Å; P199-N203 PolarHBondContact O-N 3.33Å; P199-N203 PolarHBondContact O-ND2 2.94Å
200L83.9Confident74.4Confident97 Ų97102.9 Ų102.951%0.50856%0.557SS.*Hα-helixtrans-68.1-45.1-178.6-174.862.2000111.3S197 G198 Y202 N203 H204S197-L200 PolarHBondContact O-N 3Å; G198-L200 VanDerWaalsContact C-N 3.29Å; G198-L200 PolarHBondContact O-N 3.48Å; L200-Y202 VanDerWaalsContact C-N 3.32Å; L200-Y202 PolarHBondContact O-N 3.33Å; L200-N203 PolarHBondContact O-N 3.03Å; L200-H204 WeakPolarHBondContact CD1-NE2 3.48Å; L200-H204 PolarHBondContact O-CD2 3.47Å; L200-H204 PolarHBondContact O-N 3.44Å
201I87.7Confident76.4Confident96 Ų9699.6 Ų99.649%0.49253%0.53SS..Hα-helixtrans-62.3-39179.1-172.463000111.9S197 G198 H204 I205S197-I201 PolarHBondContact O-N 2.84Å; S197-I201 VanDerWaalsContact O-N 3.09Å; G198-I201 WeakPolarHBondContact O-CG2 3.4Å; G198-I201 PolarHBondContact O-N 2.86Å; I201-H204 PolarHBondContact O-N 3.11Å; I201-I205 HydrophobicContact CG1-CD1 4.01Å; I201-I205 HydrophobicContact CG1-CG1 4.47Å; I201-I205 VanDerWaalsContact O-CG1 3.28Å; I201-I205 WeakPolarHBondContact O-CG1 3.05Å; I201-I205 PolarHBondContact O-N 3.4Å
202Y89Confident78.8Confident145 Ų145101.9 Ų101.957%0.56953%0.527SS*.Hα-helixtrans-62.8-44.9176.2-175.6-95.4000111.7G198 L200 H204 I205 E206G198-Y202 PolarHBondContact O-N 3.32Å; L200-Y202 VanDerWaalsContact C-N 3.32Å; L200-Y202 PolarHBondContact O-N 3.33Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 2.92Å; Y202-I205 PolarHBondContact O-N 3.33Å; Y202-E206 HydrophobicContact CD1-CG 4.11Å; Y202-E206 HydrophobicContact CE1-CG 3.65Å; Y202-E206 HydrophobicContact CE2-CG 4.42Å; Y202-E206 PolarHBondContact O-N 3.35Å
203N88.4Confident81.2Confident104 Ų10498.5 Ų98.556%0.55651%0.506SS*.Hα-helixtrans-60.1-41.8175.8-80.2-65.4000112.4P199 L200 R207P199-N203 PolarHBondContact O-N 3.33Å; P199-N203 PolarHBondContact O-ND2 2.94Å; L200-N203 PolarHBondContact O-N 3.03Å; N203-R207 VanDerWaalsContact O-CB 3.3Å; N203-R207 WeakPolarHBondContact O-CB 3.39Å; N203-R207 PolarHBondContact O-N 2.73Å
204H89.4Confident83.2Confident73 Ų7398.3 Ų98.334%0.33850%0.497SS..Hα-helixtrans-64.7-43.1175.1-77.1-70.5000112.3L200 I201 Y202 E206 R207 W208L200-H204 WeakPolarHBondContact CD1-NE2 3.48Å; L200-H204 PolarHBondContact O-CD2 3.47Å; L200-H204 PolarHBondContact O-N 3.44Å; I201-H204 PolarHBondContact O-N 3.11Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 2.92Å; H204-E206 PolarHBondContact O-N 3.27Å; H204-R207 PolarHBondContact O-N 3.29Å; H204-W208 WeakPolarHBondContact O-CB 3.47Å; H204-W208 PolarHBondContact O-N 2.76Å
205I92.5Very high85.2Confident75 Ų7599.5 Ų99.539%0.38548%0.479SS..Hα-helixtrans-59.1-49177-72166.7000110.4I201 Y202 R207 W208 K209I201-I205 HydrophobicContact CG1-CD1 4.01Å; I201-I205 HydrophobicContact CG1-CG1 4.47Å; I201-I205 VanDerWaalsContact O-CG1 3.28Å; I201-I205 WeakPolarHBondContact O-CG1 3.05Å; I201-I205 PolarHBondContact O-N 3.4Å; Y202-I205 PolarHBondContact O-N 3.33Å; I205-R207 VanDerWaalsContact C-N 3.35Å; I205-R207 PolarHBondContact O-N 3.09Å; I205-W208 PolarHBondContact O-N 2.8Å; I205-K209 HydrophobicContact CG2-CD 4.32Å; I205-K209 WeakPolarHBondContact O-CG 3.5Å; I205-K209 PolarHBondContact O-N 2.93Å
206E91.9Very high87.1Confident51 Ų51101 Ų10124%0.23848%0.481CS..Hα-helixtrans-62.6-41.8178.3-72.7-54.2125.800111.9Y202 H204 W208 K209 K210Y202-E206 HydrophobicContact CD1-CG 4.11Å; Y202-E206 HydrophobicContact CE1-CG 3.65Å; Y202-E206 HydrophobicContact CE2-CG 4.42Å; Y202-E206 PolarHBondContact O-N 3.35Å; H204-E206 PolarHBondContact O-N 3.27Å; E206-W208 PolarHBondContact O-N 3.48Å; E206-K209 PolarHBondContact O-N 2.89Å; E206-K209 IonicContact OE1-NZ 2.73Å; E206-K209 PolarHBondContact OE1-NZ 3.37Å; E206-K210 WeakPolarHBondContact O-CG 3.46Å; E206-K210 PolarHBondContact O-N 2.92Å
207R91.6Very high88.7Confident132 Ų132100.7 Ų100.750%0.49847%0.472SS..Hα-helixtrans-59.8-47.5174-178179.2174.3-157.3-3.2111.6N203 H204 I205 K209 K210 I211N203-R207 VanDerWaalsContact O-CB 3.3Å; N203-R207 WeakPolarHBondContact O-CB 3.39Å; N203-R207 PolarHBondContact O-N 2.73Å; H204-R207 PolarHBondContact O-N 3.29Å; I205-R207 VanDerWaalsContact C-N 3.35Å; I205-R207 PolarHBondContact O-N 3.09Å; R207-K209 PolarHBondContact O-N 3.34Å; R207-K210 WeakPolarHBondContact O-CB 3.36Å; R207-K210 PolarHBondContact O-N 3.08Å; R207-I211 HydrophobicContact CG-CD1 3.94Å; R207-I211 WeakPolarHBondContact O-CG1 3.33Å; R207-I211 PolarHBondContact O-N 3.02Å
208W93.4Very high90.1Very high138 Ų13897 Ų9752%0.52345%0.447SS..Hα-helixtrans-67.3-34.7180-80.5116.8000112.9H204 I205 E206 I211 R212H204-W208 WeakPolarHBondContact O-CB 3.47Å; H204-W208 PolarHBondContact O-N 2.76Å; I205-W208 PolarHBondContact O-N 2.8Å; E206-W208 PolarHBondContact O-N 3.48Å; W208-I211 HydrophobicContact CD2-CD1 4.37Å; W208-I211 HydrophobicContact CE3-CB 4.27Å; W208-I211 HydrophobicContact CE3-CD1 3.94Å; W208-I211 HydrophobicContact CE3-CG2 4.2Å; W208-I211 HydrophobicContact CZ3-CD1 4.17Å; W208-I211 HydrophobicContact CZ3-CG2 4.22Å; W208-I211 PolarHBondContact O-N 3.02Å; W208-R212 WeakPolarHBondContact O-CB 3.45Å; W208-R212 WeakPolarHBondContact O-CG 3.34Å; W208-R212 PolarHBondContact O-N 3.26Å
209K95.2Very high91Very high101 Ų10197.9 Ų97.944%0.43945%0.447SS..Hα-helixtrans-58.3-49.1169.7-74.4174.9-1761700110.8I205 E206 R207 I211 R212 Q213I205-K209 HydrophobicContact CG2-CD 4.32Å; I205-K209 WeakPolarHBondContact O-CG 3.5Å; I205-K209 PolarHBondContact O-N 2.93Å; E206-K209 PolarHBondContact O-N 2.89Å; E206-K209 IonicContact OE1-NZ 2.73Å; E206-K209 PolarHBondContact OE1-NZ 3.37Å; R207-K209 PolarHBondContact O-N 3.34Å; K209-I211 PolarHBondContact O-N 3.34Å; K209-R212 PolarHBondContact O-N 2.91Å; K209-Q213 WeakPolarHBondContact O-CB 3.38Å; K209-Q213 PolarHBondContact O-N 2.97Å
210K93.5Very high91.6Very high141 Ų14198.9 Ų98.961%0.61345%0.448SS*.Hα-helixtrans-61-43.4177.3-69.5177.1-175.7-179.80112.2E206 R207 Q213 K214E206-K210 WeakPolarHBondContact O-CG 3.46Å; E206-K210 PolarHBondContact O-N 2.92Å; R207-K210 WeakPolarHBondContact O-CB 3.36Å; R207-K210 PolarHBondContact O-N 3.08Å; K210-Q213 PolarHBondContact O-N 3.47Å; K210-K214 WeakPolarHBondContact O-CG 3.44Å; K210-K214 PolarHBondContact O-N 3.1Å
211I91.9Very high91.9Very high47 Ų47100.2 Ų100.224%0.24145%0.45CS..Hα-helixtrans-59.9-53.8176.8-69.7167.2000110R207 W208 K209 Q213 K214 W215R207-I211 HydrophobicContact CG-CD1 3.94Å; R207-I211 WeakPolarHBondContact O-CG1 3.33Å; R207-I211 PolarHBondContact O-N 3.02Å; W208-I211 HydrophobicContact CD2-CD1 4.37Å; W208-I211 HydrophobicContact CE3-CB 4.27Å; W208-I211 HydrophobicContact CE3-CD1 3.94Å; W208-I211 HydrophobicContact CE3-CG2 4.2Å; W208-I211 HydrophobicContact CZ3-CD1 4.17Å; W208-I211 HydrophobicContact CZ3-CG2 4.22Å; W208-I211 PolarHBondContact O-N 3.02Å; K209-I211 PolarHBondContact O-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.85Å; I211-K214 WeakPolarHBondContact O-CB 3.41Å; I211-K214 PolarHBondContact O-N 2.8Å; I211-K214 VanDerWaalsContact O-N 3.11Å; I211-W215 VanDerWaalsContact O-CD1 3.23Å; I211-W215 PolarHBondContact O-N 2.76Å
212R93.7Very high92.1Very high150 Ų15096.7 Ų96.757%0.56643%0.432SS*.Hα-helixtrans-56.9-40178.4-73.9-171.2-65.9-104.81.6112.2W208 K209 W215 K216W208-R212 WeakPolarHBondContact O-CB 3.45Å; W208-R212 WeakPolarHBondContact O-CG 3.34Å; W208-R212 PolarHBondContact O-N 3.26Å; K209-R212 PolarHBondContact O-N 2.91Å; R212-W215 PolarHBondContact O-N 2.78Å; R212-K216 PolarHBondContact O-N 3.13Å
213Q94.2Very high92.2Very high89 Ų8995 Ų9542%0.41643%0.429SS..Hα-helixtrans-62.8-46.6176.4-176.560.721.600111.7K209 K210 I211 W215 K216 E217K209-Q213 WeakPolarHBondContact O-CB 3.38Å; K209-Q213 PolarHBondContact O-N 2.97Å; K210-Q213 PolarHBondContact O-N 3.47Å; I211-Q213 PolarHBondContact O-N 2.85Å; Q213-W215 VanDerWaalsContact C-N 3.29Å; Q213-W215 PolarHBondContact O-N 3.4Å; Q213-K216 WeakPolarHBondContact O-CB 3.33Å; Q213-K216 PolarHBondContact O-N 3.49Å; Q213-K216 VanDerWaalsContact O-N 3.1Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.43Å; Q213-E217 PolarHBondContact NE2-OE1 2.93Å; Q213-E217 WeakPolarHBondContact O-CG 3.46Å; Q213-E217 PolarHBondContact O-N 3.3Å
214K92.6Very high92.4Very high91 Ų9195.6 Ų95.640%0.39643%0.432SS..Hα-helixtrans-57.1-41.4174.4-74.7-173.8175.1-171.80111.9P180 E183 K210 I211 E217 A218P180-K214 HydrophobicContact CB-CB 4.16Å; P180-K214 HydrophobicContact CG-CB 4.42Å; E183-K214 IonicContact OE2-NZ 3.02Å; E183-K214 PolarHBondContact OE2-NZ 3.31Å; K210-K214 WeakPolarHBondContact O-CG 3.44Å; K210-K214 PolarHBondContact O-N 3.1Å; I211-K214 WeakPolarHBondContact O-CB 3.41Å; I211-K214 PolarHBondContact O-N 2.8Å; I211-K214 VanDerWaalsContact O-N 3.11Å; K214-E217 PolarHBondContact O-N 3.33Å; K214-A218 WeakPolarHBondContact O-CB 3.39Å; K214-A218 PolarHBondContact O-N 3.41Å
215W92.9Very high92.6Very high132 Ų13294 Ų9450%0.542%0.423SS..Hα-helixtrans-62.5-43.6174.6-81.794.2000112.7I179 P180 I211 R212 Q213 S219I179-W215 HydrophobicContact CG2-CH2 4.27Å; P180-W215 HydrophobicContact CG-CB 4.24Å; P180-W215 HydrophobicContact CG-CD2 3.73Å; P180-W215 HydrophobicContact CG-CE3 4.18Å; P180-W215 HydrophobicContact CG-CG 3.75Å; I211-W215 VanDerWaalsContact O-CD1 3.23Å; I211-W215 PolarHBondContact O-N 2.76Å; R212-W215 PolarHBondContact O-N 2.78Å; Q213-W215 VanDerWaalsContact C-N 3.29Å; Q213-W215 PolarHBondContact O-N 3.4Å; W215-S219 WeakPolarHBondContact O-CB 3.41Å; W215-S219 PolarHBondContact O-N 3.03Å
216K93.6Very high92.7Very high149 Ų14994.3 Ų94.365%0.64842%0.42SS*.Hα-helixtrans-62.3-44.1176.8-172.6178.6179.8-1790111.6R212 Q213 N220R212-K216 PolarHBondContact O-N 3.13Å; Q213-K216 WeakPolarHBondContact O-CB 3.33Å; Q213-K216 PolarHBondContact O-N 3.49Å; Q213-K216 VanDerWaalsContact O-N 3.1Å; K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.18Å
217E92.8Very high92.8Very high104 Ų10494.3 Ų94.349%0.48643%0.426SS..Hα-helixtrans-66-45.6178.9-72.7169.2-172.500112.4Q213 K214 S219 N220 K221Q213-E217 WeakPolarHBondContact CG-OE1 3.43Å; Q213-E217 PolarHBondContact NE2-OE1 2.93Å; Q213-E217 WeakPolarHBondContact O-CG 3.46Å; Q213-E217 PolarHBondContact O-N 3.3Å; K214-E217 PolarHBondContact O-N 3.33Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.34Å; E217-N220 PolarHBondContact O-N 3.08Å; E217-K221 WeakPolarHBondContact O-CB 3.45Å; E217-K221 PolarHBondContact O-N 3.23Å
218A90.9Very high92.8Very high16 Ų1692.9 Ų92.913%0.13243%0.425CS..Hα-helixtrans-60.3-45.7176.700000111.3L177 P180 K214 N220 K221 N222L177-A218 CarbonylContact O-C 3.54Å; L177-A218 WeakPolarHBondContact O-CB 3.36Å; P180-A218 HydrophobicContact CB-CB 4.28Å; P180-A218 HydrophobicContact CG-CB 3.76Å; K214-A218 WeakPolarHBondContact O-CB 3.39Å; K214-A218 PolarHBondContact O-N 3.41Å; A218-N220 PolarHBondContact O-N 2.85Å; A218-K221 PolarHBondContact O-N 2.88Å; A218-N222 PolarHBondContact O-N 3.15Å
219S91.6Very high92.8Very high57 Ų5786.7 Ų86.740%0.39940%0.402SS..Hα-helixtrans-59.2-46.5174.7-176.70000112.2W215 E217 N222 Q223W215-S219 WeakPolarHBondContact O-CB 3.41Å; W215-S219 PolarHBondContact O-N 3.03Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.34Å; S219-N222 PolarHBondContact O-N 3.17Å; S219-Q223 WeakPolarHBondContact O-CG 3.49Å; S219-Q223 PolarHBondContact O-N 3.49Å
220N92.3Very high92.7Very high89 Ų8985 Ų8548%0.47640%0.397SS..Hα-helixtrans-60.8-47.3177.2-174.6-56.6000111.4K216 E217 A218 N222 Q223 L224K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.18Å; E217-N220 PolarHBondContact O-N 3.08Å; A218-N220 PolarHBondContact O-N 2.85Å; N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 PolarHBondContact O-N 2.91Å; N220-Q223 WeakPolarHBondContact O-CB 3.37Å; N220-Q223 PolarHBondContact O-N 3.11Å; N220-L224 PolarHBondContact O-N 3.37Å
221K91.1Very high92.7Very high124 Ų12484.6 Ų84.654%0.53940%0.396SS..Hα-helixtrans-58.9-38.8176.7-173.9171178.7171.70112L177 E217 A218L177-K221 HydrophobicContact CD1-CG 4.33Å; L177-K221 HydrophobicContact CD2-CD 3.94Å; L177-K221 HydrophobicContact CD2-CG 4.26Å; E217-K221 WeakPolarHBondContact O-CB 3.45Å; E217-K221 PolarHBondContact O-N 3.23Å; A218-K221 PolarHBondContact O-N 2.88Å
222N92Very high92.7Very high22 Ų2284.3 Ų84.312%0.11839%0.394CS..Hα-helixtrans-66.8-41.3173.4-179.275.7000112.3L177 A218 S219 N220 L224 R225 Y226L177-N222 HydrophobicContact CB-CB 3.96Å; A218-N222 PolarHBondContact O-N 3.15Å; S219-N222 PolarHBondContact O-N 3.17Å; N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 PolarHBondContact O-N 2.91Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.47Å; N222-R225 WeakPolarHBondContact O-CB 3.16Å; N222-R225 PolarHBondContact O-N 3.3Å; N222-Y226 WeakPolarHBondContact O-CD2 3.23Å
223Q91.8Very high92.6Very high109 Ų10981.5 Ų81.551%0.50939%0.39SS..Hα-helixtrans-63.9-36.4176.5-75-177.2-6.900112.4S219 N220 R225 Y226S219-Q223 WeakPolarHBondContact O-CG 3.49Å; S219-Q223 PolarHBondContact O-N 3.49Å; N220-Q223 WeakPolarHBondContact O-CB 3.37Å; N220-Q223 PolarHBondContact O-N 3.11Å; Q223-R225 PolarHBondContact O-N 3.18Å; Q223-R225 VanDerWaalsContact O-N 3.13Å; Q223-Y226 WeakPolarHBondContact O-CB 3.26Å; Q223-Y226 PolarHBondContact O-N 2.94Å
224L92.6Very high92.4Very high117 Ų11783.6 Ų83.661%0.61340%0.398SS*.Hα-helixtrans-58.9-27.2-179.6-139.577000112.8N220 N222 Y226 S227N220-L224 PolarHBondContact O-N 3.37Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.47Å; L224-Y226 PolarHBondContact O-N 3.19Å; L224-Y226 VanDerWaalsContact O-N 3.17Å; L224-S227 WeakPolarHBondContact O-CB 3.5Å; L224-S227 PolarHBondContact O-N 3.33Å; L224-S227 VanDerWaalsContact O-N 3.11Å; L224-S227 PolarHBondContact O-OG 2.87Å
225R93.4Very high92.3Very high41 Ų4183.9 Ų83.916%0.15540%0.401CS..THydrogen-bonded Turntrans-62.7-19.2174.3-65.4178.257.5-163.14113.8P163 T164 C166 L177 N222 Q223P163-R225 VanDerWaalsContact CA-O 3.23Å; P163-R225 WeakPolarHBondContact CA-O 3.49Å; P163-R225 HydrophobicContact CB-CB 4.16Å; P163-R225 WeakPolarHBondContact CB-O 3.3Å; T164-R225 PolarHBondContact N-O 3.22Å; T164-R225 VanDerWaalsContact N-O 3.08Å; T164-R225 PolarHBondContact O-NE 3.42Å; T164-R225 PolarHBondContact O-NH2 3.33Å; C166-R225 PolarHBondContact SG-NH1 3.49Å; C166-R225 PolarHBondContact SG-NH2 2.9Å; L177-R225 HydrophobicContact CD1-CG 4.41Å; N222-R225 WeakPolarHBondContact O-CB 3.16Å; N222-R225 PolarHBondContact O-N 3.3Å; Q223-R225 PolarHBondContact O-N 3.18Å; Q223-R225 VanDerWaalsContact O-N 3.13Å
226Y93.9Very high92.1Very high80 Ų8081.8 Ų81.831%0.31440%0.397SS..THydrogen-bonded Turntrans-105.319.8179.5-58.8-90.5000111.5P163 N222 Q223 L224 E228 S229 I230P163-Y226 HydrophobicContact CB-CD1 3.84Å; P163-Y226 HydrophobicContact CB-CE1 3.61Å; P163-Y226 HydrophobicContact CB-CE2 4.36Å; P163-Y226 HydrophobicContact CB-CG 4.32Å; P163-Y226 HydrophobicContact CG-CD1 4.41Å; P163-Y226 HydrophobicContact CG-CE1 3.77Å; N222-Y226 WeakPolarHBondContact O-CD2 3.23Å; Q223-Y226 WeakPolarHBondContact O-CB 3.26Å; Q223-Y226 PolarHBondContact O-N 2.94Å; L224-Y226 PolarHBondContact O-N 3.19Å; L224-Y226 VanDerWaalsContact O-N 3.17Å; Y226-E228 VanDerWaalsContact C-N 3.32Å; Y226-E228 PolarHBondContact O-N 3.46Å; Y226-S229 PolarHBondContact O-N 3.04Å; Y226-I230 WeakPolarHBondContact O-CB 3.49Å; Y226-I230 VanDerWaalsContact O-CG1 3.26Å; Y226-I230 WeakPolarHBondContact O-CG1 3.44Å; Y226-I230 PolarHBondContact O-N 2.92Å
227S93.4Very high91.9Very high51 Ų5180.9 Ų80.936%0.35739%0.393SS..Hα-helixtrans-52.8-46.4-175.858.40000113.1L224 I230 K231L224-S227 WeakPolarHBondContact O-CB 3.5Å; L224-S227 PolarHBondContact O-N 3.33Å; L224-S227 VanDerWaalsContact O-N 3.11Å; L224-S227 PolarHBondContact O-OG 2.87Å; S227-I230 PolarHBondContact O-N 3.32Å; S227-K231 PolarHBondContact O-N 2.97Å
228E91.8Very high91.7Very high102 Ų10282.3 Ų82.348%0.47740%0.4SS..Hα-helixtrans-65.8-45.5179.6-62.3-49.6120.300111.5P161 Y226 I230 K231 I232P161-E228 HydrophobicContact CB-CB 4.49Å; P161-E228 HydrophobicContact CG-CB 4.38Å; Y226-E228 VanDerWaalsContact C-N 3.32Å; Y226-E228 PolarHBondContact O-N 3.46Å; E228-I230 VanDerWaalsContact C-N 3.29Å; E228-I230 PolarHBondContact O-N 3.25Å; E228-K231 WeakPolarHBondContact O-CB 3.28Å; E228-K231 PolarHBondContact O-N 3.04Å; E228-K231 VanDerWaalsContact O-N 3.16Å; E228-I232 WeakPolarHBondContact O-CG1 3.32Å; E228-I232 PolarHBondContact O-N 3.4Å
229S93.3Very high91.5Very high8 Ų886.5 Ų86.56%0.05642%0.418CS..Hα-helixtrans-59.8-41.5175.8-41.50000111.2P161 Y226 I232 L233P161-S229 PolarHBondContact O-OG 3.07Å; Y226-S229 PolarHBondContact O-N 3.04Å; S229-I232 PolarHBondContact O-N 2.9Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.43Å; S229-L233 PolarHBondContact O-N 3.16Å
230I93.3Very high91Very high65 Ų6593.3 Ų93.333%0.33344%0.437SS..Hα-helixtrans-65.8-39.1177.4-68.5164.2000111Y226 S227 E228 L233 K234Y226-I230 WeakPolarHBondContact O-CB 3.49Å; Y226-I230 VanDerWaalsContact O-CG1 3.26Å; Y226-I230 WeakPolarHBondContact O-CG1 3.44Å; Y226-I230 PolarHBondContact O-N 2.92Å; S227-I230 PolarHBondContact O-N 3.32Å; E228-I230 VanDerWaalsContact C-N 3.29Å; E228-I230 PolarHBondContact O-N 3.25Å; I230-L233 PolarHBondContact O-N 3.05Å; I230-K234 HydrophobicContact CG2-CD 4.25Å; I230-K234 HydrophobicContact CG2-CG 4.47Å; I230-K234 WeakPolarHBondContact O-CG 3.42Å; I230-K234 PolarHBondContact O-N 3.26Å
231K93.2Very high90.5Very high134 Ų13494.3 Ų94.358%0.58344%0.442SS*.Hα-helixtrans-60.9-47.5177.1-174.8-176.4176-1710111S227 E228 L233 K234 E235S227-K231 PolarHBondContact O-N 2.97Å; E228-K231 WeakPolarHBondContact O-CB 3.28Å; E228-K231 PolarHBondContact O-N 3.04Å; E228-K231 VanDerWaalsContact O-N 3.16Å; K231-L233 PolarHBondContact O-N 3.39Å; K231-K234 PolarHBondContact O-N 2.66Å; K231-E235 PolarHBondContact O-N 3.49Å
232I91.6Very high89.1Confident40 Ų40102 Ų10221%0.20547%0.467CS..Hα-helixtrans-59.8-48.3176.5-66.8164.6000110.9V157 L160 P161 E228 S229 K234 E235 M236V157-I232 HydrophobicContact CB-CG2 4.33Å; V157-I232 HydrophobicContact CG1-CG2 3.96Å; V157-I232 HydrophobicContact CG2-CG2 3.73Å; L160-I232 HydrophobicContact CD2-CB 4.41Å; L160-I232 HydrophobicContact CD2-CG2 4.17Å; P161-I232 HydrophobicContact CG-CD1 3.5Å; E228-I232 WeakPolarHBondContact O-CG1 3.32Å; E228-I232 PolarHBondContact O-N 3.4Å; S229-I232 PolarHBondContact O-N 2.9Å; I232-K234 VanDerWaalsContact C-N 3.28Å; I232-K234 PolarHBondContact O-N 3.3Å; I232-E235 PolarHBondContact O-N 3.2Å; I232-M236 HydrophobicContact CG2-CG 4.29Å; I232-M236 HydrophobicContact CG2-SD 3.99Å; I232-M236 WeakPolarHBondContact O-CG 3.32Å; I232-M236 PolarHBondContact O-N 3Å
233L92Very high88.9Confident92 Ų92106 Ų10648%0.48249%0.485SS..Hα-helixtrans-61.1-36.5179.2-70.7173.1000112.7L160 S229 I230 K231 K237L160-L233 HydrophobicContact CD1-CD1 4.17Å; L160-L233 HydrophobicContact CD1-CD2 4.39Å; L160-L233 HydrophobicContact CD1-CG 4.38Å; L160-L233 HydrophobicContact CD2-CD2 4.18Å; L160-L233 HydrophobicContact CD2-CG 4.12Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.43Å; S229-L233 PolarHBondContact O-N 3.16Å; I230-L233 PolarHBondContact O-N 3.05Å; K231-L233 PolarHBondContact O-N 3.39Å; L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 3.29Å
234K91.2Very high88.8Confident132 Ų132105.8 Ų105.857%0.57448%0.483SS*.Hα-helixtrans-66.1-46174.9-76.5178.6177.3-175.10111.8I230 K231 I232 K237 E238I230-K234 HydrophobicContact CG2-CD 4.25Å; I230-K234 HydrophobicContact CG2-CG 4.47Å; I230-K234 WeakPolarHBondContact O-CG 3.42Å; I230-K234 PolarHBondContact O-N 3.26Å; K231-K234 PolarHBondContact O-N 2.66Å; I232-K234 VanDerWaalsContact C-N 3.28Å; I232-K234 PolarHBondContact O-N 3.3Å; K234-K237 PolarHBondContact O-N 3.43Å; K234-E238 WeakPolarHBondContact O-CG 3.35Å; K234-E238 PolarHBondContact O-N 3.37Å
235E90.5Very high88.6Confident98 Ų98105.2 Ų105.246%0.45848%0.476SS..Hα-helixtrans-61.3-45.2177.3-174.7177.3174.700111.4K231 I232 K237 E238 M239K231-E235 PolarHBondContact O-N 3.49Å; I232-E235 PolarHBondContact O-N 3.2Å; E235-K237 VanDerWaalsContact C-N 3.32Å; E235-K237 PolarHBondContact O-N 2.97Å; E235-E238 PolarHBondContact O-N 3.22Å; E235-M239 HydrophobicContact CG-CE 3.98Å; E235-M239 VanDerWaalsContact O-CG 3.32Å; E235-M239 WeakPolarHBondContact O-CG 3.36Å; E235-M239 PolarHBondContact O-N 2.95Å
236M87.8Confident88.3Confident88 Ų88108.9 Ų108.943%0.43350%0.495SS..Hα-helixtrans-60-41.4176.1-69-179.290.300112.1V157 I232 M239 Y240V157-M236 HydrophobicContact CB-CE 4.03Å; V157-M236 HydrophobicContact CB-SD 3.97Å; V157-M236 HydrophobicContact CG2-CE 4.37Å; V157-M236 HydrophobicContact CG2-SD 4.06Å; I232-M236 HydrophobicContact CG2-CG 4.29Å; I232-M236 HydrophobicContact CG2-SD 3.99Å; I232-M236 WeakPolarHBondContact O-CG 3.32Å; I232-M236 PolarHBondContact O-N 3Å; M236-M239 PolarHBondContact O-N 3.18Å; M236-Y240 PolarHBondContact O-N 3.41Å
237K89.2Confident87.9Confident130 Ų130110.8 Ų110.857%0.56551%0.506SS*.Hα-helixtrans-62.8-46.9175.5-178.3-175.5178.7-63.70111.3L233 K234 E235 M239 Y240 D241L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 3.29Å; K234-K237 PolarHBondContact O-N 3.43Å; E235-K237 VanDerWaalsContact C-N 3.32Å; E235-K237 PolarHBondContact O-N 2.97Å; K237-M239 VanDerWaalsContact C-N 3.27Å; K237-M239 PolarHBondContact O-N 3.44Å; K237-Y240 PolarHBondContact O-N 3.15Å; K237-Y240 VanDerWaalsContact O-N 3.15Å; K237-D241 IonicContact NZ-OD2 2.66Å; K237-D241 PolarHBondContact NZ-OD2 3.08Å; K237-D241 PolarHBondContact O-N 3.41Å
238E90.1Very high87.6Confident133 Ų133114.7 Ų114.762%0.62152%0.516SS*.Hα-helixtrans-63.8-31.2179.3-74.1177.2-170.700113K234 E235K234-E238 WeakPolarHBondContact O-CG 3.35Å; K234-E238 PolarHBondContact O-N 3.37Å; E235-E238 PolarHBondContact O-N 3.22Å
239M85.2Confident87.3Confident105 Ų105115.6 Ų115.652%0.51752%0.519SS..Hα-helixtrans-69.8-31.3173.8-65.9-140.1-145.200113.2E235 M236 K237E235-M239 HydrophobicContact CG-CE 3.98Å; E235-M239 VanDerWaalsContact O-CG 3.32Å; E235-M239 WeakPolarHBondContact O-CG 3.36Å; E235-M239 PolarHBondContact O-N 2.95Å; M236-M239 PolarHBondContact O-N 3.18Å; K237-M239 VanDerWaalsContact C-N 3.27Å; K237-M239 PolarHBondContact O-N 3.44Å
240Y81.6Confident86.8Confident200 Ų200123.9 Ų123.978%0.78456%0.555SS**Hα-helixtrans-84.8-26.2-179.3-165.3-90.2000113.1M236 K237 R242M236-Y240 PolarHBondContact O-N 3.41Å; K237-Y240 PolarHBondContact O-N 3.15Å; K237-Y240 VanDerWaalsContact O-N 3.15Å; Y240-R242 VanDerWaalsContact C-N 3.26Å; Y240-R242 PolarHBondContact O-N 3.07Å
241D81.6Confident86.2Confident109 Ų109128.8 Ų128.858%0.58357%0.573SS**  trans-81.61.8178.1-70.9-19.1000113.3K237K237-D241 IonicContact NZ-OD2 2.66Å; K237-D241 PolarHBondContact NZ-OD2 3.08Å; K237-D241 PolarHBondContact O-N 3.41Å
242R61.2Low85.6Confident285 Ų285128.4 Ų128.4100%1.07557%0.573SS**  trans-95.30171.5-88.2-171.1-169.6175.85.8111.8Y240Y240-R242 VanDerWaalsContact C-N 3.26Å; Y240-R242 PolarHBondContact O-N 3.07Å

Retrieved 242 of 242 residues in 1117.8 ms (Link to these results)