G4VTJ6_SCHMA Loading...

Putative 26s protease regulatory subunit S10b

AlphaFold DB , UniProt , Accession G4VTJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 395 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
1M37.5Very low59.3Low240 Ų240117.6 Ų117.6100%1.18269%0.693SS**  092.20-80.2178.9173.700108.3
2T43.8Very low61.4Low146 Ų146119 Ų11990%0.89669%0.688SS**  trans174.5104.2154.526.90000106.7A4T2-A4 PolarHBondContact O-N 2.85Å
3V52Low63.2Low141 Ų141121.1 Ų121.186%0.85568%0.684SS**  trans-77.9114.5-178.9177.20000107.9
4A50.2Low64.9Low85 Ų85115.7 Ų115.770%0.70266%0.662SS**  trans-68.8126.7176.400000110.4T2T2-A4 PolarHBondContact O-N 2.85Å
5V55.5Low66.5Low89 Ų89113.1 Ų113.154%0.53964%0.644SS.*  trans-76.7126.3-174.6-177.40000109.5G7 E8V5-G7 PolarHBondContact O-N 3.42Å; V5-E8 HydrophobicContact CB-CG 4.39Å; V5-E8 PolarHBondContact O-N 3.38Å; V5-E8 VanDerWaalsContact O-N 3.12Å
6P58.1Low67.9Low124 Ų124110.3 Ų110.381%0.80563%0.634SS**THydrogen-bonded Turntrans-61.9-11.5-174.6-20.930.8000115.5
7G61.8Low69.2Low43 Ų43111.9 Ų111.944%0.44363%0.629SS.*THydrogen-bonded Turntrans-87.4-14.9178.700000115.2V5 S9 R11V5-G7 PolarHBondContact O-N 3.42Å; G7-S9 VanDerWaalsContact C-N 3.34Å; G7-S9 PolarHBondContact O-N 3.28Å; G7-R11 PolarHBondContact O-N 3.1Å
8E61.1Low70.5Confident114 Ų114114.2 Ų114.253%0.53363%0.627SS.*Hα-helixtrans-66.9-36.7-178.9-73.4180149.200111.6V5 R11 E12V5-E8 HydrophobicContact CB-CG 4.39Å; V5-E8 PolarHBondContact O-N 3.38Å; V5-E8 VanDerWaalsContact O-N 3.12Å; E8-R11 PolarHBondContact O-N 3.04Å; E8-E12 WeakPolarHBondContact O-CB 3.28Å; E8-E12 VanDerWaalsContact O-CG 3.3Å; E8-E12 WeakPolarHBondContact O-CG 3.32Å; E8-E12 PolarHBondContact O-N 3.12Å
9S69.9Low71.6Confident64 Ų64117.2 Ų117.245%0.44863%0.628SS.*Hα-helixtrans-64.1-41.5178.4165.50000114.1G7 K13G7-S9 VanDerWaalsContact C-N 3.34Å; G7-S9 PolarHBondContact O-N 3.28Å; S9-K13 WeakPolarHBondContact O-CG 3.38Å; S9-K13 PolarHBondContact O-N 3.25Å
10A78.5Confident72.5Confident64 Ų64119.9 Ų119.953%0.52963%0.629SS.*Hα-helixtrans-71.4-39.2178.900000111.6K13 A14A10-K13 PolarHBondContact O-N 3.05Å; A10-A14 PolarHBondContact O-N 3.46Å
11R83.5Confident73.5Confident184 Ų184118.7 Ų118.769%0.69462%0.619SS**Hα-helixtrans-63.1-43174.4-174.3-179.2177.2-167.9-0.3111.2G7 E8 A14 L15G7-R11 PolarHBondContact O-N 3.1Å; E8-R11 PolarHBondContact O-N 3.04Å; R11-A14 PolarHBondContact O-N 3.14Å; R11-L15 HydrophobicContact CG-CD1 3.91Å; R11-L15 HydrophobicContact CG-CG 4.39Å; R11-L15 VanDerWaalsContact O-CB 3.29Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.37Å
12E84.6Confident76.1Confident134 Ų134112.5 Ų112.563%0.62659%0.59SS**Hα-helixtrans-63.4-41175.9-77.6179.5168.100112.8E8 L15 S16E8-E12 WeakPolarHBondContact O-CB 3.28Å; E8-E12 VanDerWaalsContact O-CG 3.3Å; E8-E12 WeakPolarHBondContact O-CG 3.32Å; E8-E12 PolarHBondContact O-N 3.12Å; E12-L15 PolarHBondContact O-N 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.44Å; E12-S16 PolarHBondContact O-N 2.79Å; E12-S16 PolarHBondContact O-OG 3.13Å
13K84.5Confident78.5Confident146 Ų146110.2 Ų110.264%0.63558%0.576SS**Hα-helixtrans-63.7-45.6174.6-75.6179-177.3179.10112.3S9 A10 S16 Y17S9-K13 WeakPolarHBondContact O-CG 3.38Å; S9-K13 PolarHBondContact O-N 3.25Å; A10-K13 PolarHBondContact O-N 3.05Å; K13-S16 PolarHBondContact O-N 3.42Å; K13-S16 PolarHBondContact O-OG 3.4Å; K13-Y17 PolarHBondContact O-N 3.5Å; K13-Y17 VanDerWaalsContact O-N 3.08Å
14A87.3Confident80.4Confident46 Ų46107 Ų10738%0.3855%0.551SS.*Hα-helixtrans-64.4-44.4176.500000111.8A10 R11 S16 Y17 Y18A10-A14 PolarHBondContact O-N 3.46Å; R11-A14 PolarHBondContact O-N 3.14Å; A14-S16 VanDerWaalsContact C-N 3.34Å; A14-S16 PolarHBondContact O-N 2.83Å; A14-Y17 PolarHBondContact O-N 2.99Å; A14-Y18 WeakPolarHBondContact O-CD2 3.27Å; A14-Y18 PolarHBondContact O-N 2.81Å
15L89.5Confident82.5Confident76 Ų76108.3 Ų108.340%0.39854%0.542SS..Hα-helixtrans-62.6-38.2177.2-74.6172.9000112.2R11 E12 R19R11-L15 HydrophobicContact CG-CD1 3.91Å; R11-L15 HydrophobicContact CG-CG 4.39Å; R11-L15 VanDerWaalsContact O-CB 3.29Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.37Å; E12-L15 PolarHBondContact O-N 3.3Å; L15-R19 VanDerWaalsContact O-CB 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.12Å; L15-R19 WeakPolarHBondContact O-CG 3.47Å; L15-R19 PolarHBondContact O-N 3.44Å
16S87.9Confident84.3Confident69 Ų69113.1 Ų113.148%0.48355%0.551SS.*Hα-helixtrans-67.8-38.3175.9640000112.5E12 K13 A14 R19 R20E12-S16 WeakPolarHBondContact O-CB 3.44Å; E12-S16 PolarHBondContact O-N 2.79Å; E12-S16 PolarHBondContact O-OG 3.13Å; K13-S16 PolarHBondContact O-N 3.42Å; K13-S16 PolarHBondContact O-OG 3.4Å; A14-S16 VanDerWaalsContact C-N 3.34Å; A14-S16 PolarHBondContact O-N 2.83Å; S16-R19 PolarHBondContact O-N 3.26Å; S16-R20 PolarHBondContact O-N 3.47Å
17Y90.6Very high86Confident137 Ų137109 Ų10954%0.53753%0.53SS..Hα-helixtrans-63.2-49.4173-179.8-98.2000112.2K13 A14 R19 R20 K21K13-Y17 PolarHBondContact O-N 3.5Å; K13-Y17 VanDerWaalsContact O-N 3.08Å; A14-Y17 PolarHBondContact O-N 2.99Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 3.32Å; Y17-R20 PolarHBondContact O-N 3.33Å; Y17-K21 HydrophobicContact CE1-CG 4.1Å; Y17-K21 PolarHBondContact O-N 3.45Å
18Y92.4Very high87.5Confident153 Ų153112.2 Ų112.260%0.654%0.537SS*.Hα-helixtrans-62.9-38.7176.4-75.6-62.9000112.1A14 K21 L22A14-Y18 WeakPolarHBondContact O-CD2 3.27Å; A14-Y18 PolarHBondContact O-N 2.81Å; Y18-K21 PolarHBondContact O-N 3.45Å; Y18-L22 WeakPolarHBondContact O-CB 3.44Å; Y18-L22 VanDerWaalsContact O-CG 3.31Å; Y18-L22 WeakPolarHBondContact O-CG 3.45Å; Y18-L22 PolarHBondContact O-N 3.27Å
19R90.9Very high89.1Confident172 Ų172109.8 Ų109.865%0.64953%0.527SS*.Hα-helixtrans-60.4-44.5172.8-79.6175.2-179176.71.6111.5L15 S16 Y17 K21 L22 V23L15-R19 VanDerWaalsContact O-CB 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.12Å; L15-R19 WeakPolarHBondContact O-CG 3.47Å; L15-R19 PolarHBondContact O-N 3.44Å; S16-R19 PolarHBondContact O-N 3.26Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 3.32Å; R19-K21 PolarHBondContact O-N 3.34Å; R19-L22 PolarHBondContact O-N 3.04Å; R19-V23 VanDerWaalsContact O-CG2 3.29Å; R19-V23 WeakPolarHBondContact O-CG2 3.37Å; R19-V23 PolarHBondContact O-N 2.77Å
20R91.4Very high90.2Very high170 Ų170109.4 Ų109.464%0.64253%0.528SS*.Hα-helixtrans-60.8-44.6175.9-178.4177.9165.1170.9-0.2111.8S16 Y17 V23 E24S16-R20 PolarHBondContact O-N 3.47Å; Y17-R20 PolarHBondContact O-N 3.33Å; R20-V23 PolarHBondContact O-N 3.08Å; R20-E24 IonicContact NE-OE1 3.3Å; R20-E24 PolarHBondContact NE-OE1 2.92Å; R20-E24 PolarHBondContact O-N 2.92Å
21K92.3Very high91Very high96 Ų96115.4 Ų115.442%0.41754%0.537SS..Hα-helixtrans-65.1-37.4176.4-78.7-73.1168.8-157.80113.1Y17 Y18 R19 E24 H25Y17-K21 HydrophobicContact CE1-CG 4.1Å; Y17-K21 PolarHBondContact O-N 3.45Å; Y18-K21 PolarHBondContact O-N 3.45Å; R19-K21 PolarHBondContact O-N 3.34Å; K21-E24 WeakPolarHBondContact CD-OE2 3.33Å; K21-E24 WeakPolarHBondContact CE-OE2 3.45Å; K21-E24 IonicContact NZ-OE2 2.74Å; K21-E24 PolarHBondContact NZ-OE2 3.46Å; K21-E24 PolarHBondContact O-N 3.24Å; K21-H25 PolarHBondContact O-N 3.39Å
22L93.1Very high91.5Very high109 Ų109110.4 Ų110.457%0.57152%0.524SS*.Hα-helixtrans-66.1-36.7172.9-74.7169.6000112.3Y18 R19 H25 R26Y18-L22 WeakPolarHBondContact O-CB 3.44Å; Y18-L22 VanDerWaalsContact O-CG 3.31Å; Y18-L22 WeakPolarHBondContact O-CG 3.45Å; Y18-L22 PolarHBondContact O-N 3.27Å; R19-L22 PolarHBondContact O-N 3.04Å; L22-H25 PolarHBondContact O-N 3.09Å; L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 WeakPolarHBondContact O-CG 3.32Å; L22-R26 PolarHBondContact O-N 3.16Å
23V92.5Very high92Very high99 Ų99110.8 Ų110.860%0.652%0.523SS*.Hα-helixtrans-66.7-42173.8171.70000111R19 R20 R26 G27R19-V23 VanDerWaalsContact O-CG2 3.29Å; R19-V23 WeakPolarHBondContact O-CG2 3.37Å; R19-V23 PolarHBondContact O-N 2.77Å; R20-V23 PolarHBondContact O-N 3.08Å; V23-R26 PolarHBondContact O-N 2.69Å; V23-G27 PolarHBondContact O-N 2.97Å
24E93Very high92.4Very high73 Ų73108.4 Ų108.434%0.34151%0.514SS..Hα-helixtrans-59.7-45.8172.5-74.5173.3-16800111.4R20 K21 R26 G27 I28R20-E24 IonicContact NE-OE1 3.3Å; R20-E24 PolarHBondContact NE-OE1 2.92Å; R20-E24 PolarHBondContact O-N 2.92Å; K21-E24 WeakPolarHBondContact CD-OE2 3.33Å; K21-E24 WeakPolarHBondContact CE-OE2 3.45Å; K21-E24 IonicContact NZ-OE2 2.74Å; K21-E24 PolarHBondContact NZ-OE2 3.46Å; K21-E24 PolarHBondContact O-N 3.24Å; E24-R26 PolarHBondContact O-N 3.48Å; E24-G27 PolarHBondContact O-N 3.45Å; E24-G27 VanDerWaalsContact O-N 3.17Å; E24-I28 WeakPolarHBondContact O-CG1 3.41Å; E24-I28 PolarHBondContact O-N 2.99Å
25H94.3Very high92.8Very high112 Ų112108.8 Ų108.852%0.51952%0.518SS..Hα-helixtrans-60.5-45.5176.4-169.1-71.2000112K21 L22 G27 I28 D29K21-H25 PolarHBondContact O-N 3.39Å; L22-H25 PolarHBondContact O-N 3.09Å; H25-G27 VanDerWaalsContact C-N 3.26Å; H25-G27 PolarHBondContact O-N 3.29Å; H25-I28 PolarHBondContact O-N 3.11Å; H25-D29 IonicContact CE1-OD1 3.57Å; H25-D29 IonicContact CE1-OD2 3.23Å; H25-D29 PolarHBondContact CE1-OD2 3.04Å; H25-D29 IonicContact ND1-OD1 3.87Å; H25-D29 IonicContact ND1-OD2 2.9Å; H25-D29 PolarHBondContact ND1-OD2 3.46Å; H25-D29 PolarHBondContact O-N 3.16Å
26R93Very high93Very high191 Ų191112.9 Ų112.972%0.72153%0.528SS*.Hα-helixtrans-60.2-36.2175.4-75.9179.7179.5-173.80.1112.4L22 V23 E24 A30L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 WeakPolarHBondContact O-CG 3.32Å; L22-R26 PolarHBondContact O-N 3.16Å; V23-R26 PolarHBondContact O-N 2.69Å; E24-R26 PolarHBondContact O-N 3.48Å; R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.2Å
27G93.3Very high93.3Very high36 Ų36116 Ų11637%0.37154%0.535SS..Hα-helixtrans-66-40.317500000113.1V23 E24 H25 R31V23-G27 PolarHBondContact O-N 2.97Å; E24-G27 PolarHBondContact O-N 3.45Å; E24-G27 VanDerWaalsContact O-N 3.17Å; H25-G27 VanDerWaalsContact C-N 3.26Å; H25-G27 PolarHBondContact O-N 3.29Å; G27-R31 WeakPolarHBondContact O-CG 3.35Å; G27-R31 PolarHBondContact O-N 2.76Å
28I94.3Very high93.5Very high112 Ų112115.3 Ų115.357%0.57453%0.534SS*.Hα-helixtrans-68-43.9175.4-65169.6000110.7E24 H25 A30 R31 L32E24-I28 WeakPolarHBondContact O-CG1 3.41Å; E24-I28 PolarHBondContact O-N 2.99Å; H25-I28 PolarHBondContact O-N 3.11Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.44Å; I28-R31 PolarHBondContact O-N 2.99Å; I28-L32 WeakPolarHBondContact O-CB 3.38Å; I28-L32 PolarHBondContact O-N 3.22Å
29D94.7Very high93.6Very high62 Ų62111.7 Ų111.733%0.33253%0.532SS..Hα-helixtrans-59.9-39.7176.6-75.2-28.7000112.2H25 L32 K33H25-D29 IonicContact CE1-OD1 3.57Å; H25-D29 IonicContact CE1-OD2 3.23Å; H25-D29 PolarHBondContact CE1-OD2 3.04Å; H25-D29 IonicContact ND1-OD1 3.87Å; H25-D29 IonicContact ND1-OD2 2.9Å; H25-D29 PolarHBondContact ND1-OD2 3.46Å; H25-D29 PolarHBondContact O-N 3.16Å; D29-L32 PolarHBondContact O-N 2.99Å; D29-K33 WeakPolarHBondContact O-CG 3.41Å; D29-K33 PolarHBondContact O-N 3.26Å
30A93.6Very high93.9Very high57 Ų57111 Ų11147%0.47153%0.533SS..Hα-helixtrans-63.5-46.3176.200000111.7R26 I28 L32 K33 E34R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.2Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.44Å; A30-L32 VanDerWaalsContact C-N 3.33Å; A30-L32 PolarHBondContact O-N 2.97Å; A30-K33 PolarHBondContact O-N 2.76Å; A30-E34 PolarHBondContact O-N 3Å
31R94Very high94Very high189 Ų189105.3 Ų105.371%0.71352%0.522SS*.Hα-helixtrans-63.6-38.2175.2-70.1179.8-174.5172.62.1112.3G27 I28 K33 E34 A35G27-R31 WeakPolarHBondContact O-CG 3.35Å; G27-R31 PolarHBondContact O-N 2.76Å; I28-R31 PolarHBondContact O-N 2.99Å; R31-K33 VanDerWaalsContact C-N 3.35Å; R31-E34 PolarHBondContact O-N 3.27Å; R31-A35 VanDerWaalsContact O-CB 3.28Å; R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 3.43Å
32L94.7Very high94.2Very high80 Ų80106 Ų10642%0.41953%0.53SS..Hα-helixtrans-64-41.3176.3-178.365.1000111.2I28 D29 A30 R36I28-L32 WeakPolarHBondContact O-CB 3.38Å; I28-L32 PolarHBondContact O-N 3.22Å; D29-L32 PolarHBondContact O-N 2.99Å; A30-L32 VanDerWaalsContact C-N 3.33Å; A30-L32 PolarHBondContact O-N 2.97Å; L32-R36 WeakPolarHBondContact O-CB 3.48Å; L32-R36 VanDerWaalsContact O-CG 3.29Å; L32-R36 WeakPolarHBondContact O-CG 3.43Å; L32-R36 PolarHBondContact O-N 3.08Å
33K94.4Very high94.4Very high142 Ų142103.5 Ų103.562%0.61752%0.521SS*.Hα-helixtrans-62.9-48.6174.7-75.2178.3-178.1-176.10111.5D29 A30 R31 A35 R36 E37D29-K33 WeakPolarHBondContact O-CG 3.41Å; D29-K33 PolarHBondContact O-N 3.26Å; A30-K33 PolarHBondContact O-N 2.76Å; R31-K33 VanDerWaalsContact C-N 3.35Å; K33-A35 PolarHBondContact O-N 3.27Å; K33-R36 PolarHBondContact O-N 3.32Å; K33-E37 WeakPolarHBondContact O-CG 3.48Å; K33-E37 PolarHBondContact O-N 3.37Å
34E94Very high94.5Very high96 Ų96106.6 Ų106.645%0.44953%0.526SS..Hα-helixtrans-61.2-42.2178.1-166.6-168.3154.200112.1A30 R31 E37 K38A30-E34 PolarHBondContact O-N 3Å; R31-E34 PolarHBondContact O-N 3.27Å; E34-E37 PolarHBondContact O-N 3.14Å; E34-K38 HydrophobicContact CG-CD 4.46Å; E34-K38 WeakPolarHBondContact O-CG 3.4Å; E34-K38 PolarHBondContact O-N 3.14Å; E34-K38 WeakPolarHBondContact OE1-CE 3.43Å; E34-K38 IonicContact OE1-NZ 2.97Å; E34-K38 PolarHBondContact OE1-NZ 3.2Å
35A94.3Very high94.7Very high54 Ų54109.7 Ų109.745%0.44654%0.541SS..Hα-helixtrans-65.4-38.6176.300000112.3R31 K33 S39R31-A35 VanDerWaalsContact O-CB 3.28Å; R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 3.43Å; K33-A35 PolarHBondContact O-N 3.27Å; A35-S39 VanDerWaalsContact O-CB 3.26Å; A35-S39 WeakPolarHBondContact O-CB 3.49Å; A35-S39 PolarHBondContact O-N 2.91Å
36R94.9Very high94.8Very high162 Ų162111.1 Ų111.161%0.61154%0.543SS*.Hα-helixtrans-65.6-39.3173.7-78.4178.1174.9-171.6-0.2111.8L32 K33 S39 K40L32-R36 WeakPolarHBondContact O-CB 3.48Å; L32-R36 VanDerWaalsContact O-CG 3.29Å; L32-R36 WeakPolarHBondContact O-CG 3.43Å; L32-R36 PolarHBondContact O-N 3.08Å; K33-R36 PolarHBondContact O-N 3.32Å; R36-S39 PolarHBondContact O-N 3.45Å; R36-K40 WeakPolarHBondContact O-CB 3.42Å; R36-K40 VanDerWaalsContact O-CG 3.3Å; R36-K40 WeakPolarHBondContact O-CG 3.46Å; R36-K40 PolarHBondContact O-N 3.49Å
37E94Very high94.9Very high135 Ų135105.7 Ų105.763%0.63153%0.528SS*.Hα-helixtrans-65.1-46.8175.5-74.7176178.800111.5K33 E34 S39 K40 A41K33-E37 WeakPolarHBondContact O-CG 3.48Å; K33-E37 PolarHBondContact O-N 3.37Å; E34-E37 PolarHBondContact O-N 3.14Å; E37-S39 PolarHBondContact O-N 3.41Å; E37-K40 PolarHBondContact O-N 3.32Å; E37-A41 PolarHBondContact O-N 3.27Å
38K94.8Very high95Very high122 Ų122110.7 Ų110.753%0.5354%0.539SS..Hα-helixtrans-59.4-44.2173.6-74.9172.9171.9168.90112E34 K40 A41 I42E34-K38 HydrophobicContact CG-CD 4.46Å; E34-K38 WeakPolarHBondContact O-CG 3.4Å; E34-K38 PolarHBondContact O-N 3.14Å; E34-K38 WeakPolarHBondContact OE1-CE 3.43Å; E34-K38 IonicContact OE1-NZ 2.97Å; E34-K38 PolarHBondContact OE1-NZ 3.2Å; K38-K40 PolarHBondContact O-N 3.4Å; K38-A41 PolarHBondContact O-N 3.14Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 2.95Å
39S94.8Very high95.1Very high77 Ų77107.7 Ų107.754%0.53853%0.532SS..Hα-helixtrans-62.9-39.8176.7173.30000112.4A35 R36 E37 S43A35-S39 VanDerWaalsContact O-CB 3.26Å; A35-S39 WeakPolarHBondContact O-CB 3.49Å; A35-S39 PolarHBondContact O-N 2.91Å; R36-S39 PolarHBondContact O-N 3.45Å; E37-S39 PolarHBondContact O-N 3.41Å; S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.38Å
40K95.5Very high95.2Very high157 Ų157107.7 Ų107.768%0.68353%0.53SS*.Hα-helixtrans-64.7-40.8173.5-75.9176.8178.3-173.90112.2R36 E37 K38 S43 K44R36-K40 WeakPolarHBondContact O-CB 3.42Å; R36-K40 VanDerWaalsContact O-CG 3.3Å; R36-K40 WeakPolarHBondContact O-CG 3.46Å; R36-K40 PolarHBondContact O-N 3.49Å; E37-K40 PolarHBondContact O-N 3.32Å; K38-K40 PolarHBondContact O-N 3.4Å; K40-S43 PolarHBondContact O-N 3.43Å; K40-K44 WeakPolarHBondContact O-CB 3.38Å; K40-K44 PolarHBondContact O-N 3.03Å
41A95.4Very high95.3Very high50 Ų50109.6 Ų109.641%0.41353%0.532SS..Hα-helixtrans-62.9-48.3176.400000111.4E37 K38 S43 K44 E45E37-A41 PolarHBondContact O-N 3.27Å; K38-A41 PolarHBondContact O-N 3.14Å; A41-S43 PolarHBondContact O-N 2.83Å; A41-K44 PolarHBondContact O-N 3.45Å; A41-E45 PolarHBondContact O-N 3.48Å
42I95.9Very high95.3Very high111 Ų111104.9 Ų104.957%0.56952%0.521SS*.Hα-helixtrans-62.6-42.1176.7-67.1167.3000111.1K38 K44 E45 Y46K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 2.95Å; I42-K44 VanDerWaalsContact C-N 3.3Å; I42-K44 PolarHBondContact O-N 3.19Å; I42-E45 PolarHBondContact O-N 3.24Å; I42-Y46 VanDerWaalsContact O-CB 3.32Å; I42-Y46 WeakPolarHBondContact O-CB 3.35Å; I42-Y46 PolarHBondContact O-N 3.03Å
43S96.2Very high95.3Very high56 Ų56106.5 Ų106.539%0.39253%0.529SS..Hα-helixtrans-60.3-41.6176.6-168.70000111.5S39 K40 A41 E45 Y46 D47S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.38Å; K40-S43 PolarHBondContact O-N 3.43Å; A41-S43 PolarHBondContact O-N 2.83Å; S43-E45 PolarHBondContact O-N 2.89Å; S43-Y46 PolarHBondContact O-N 2.89Å; S43-D47 WeakPolarHBondContact O-CB 3.41Å; S43-D47 PolarHBondContact O-N 3.26Å
44K95.9Very high95.3Very high164 Ų164104.9 Ų104.971%0.71352%0.522SS*.Hα-helixtrans-64.7-39.6177.3-172.2-179.1179.7-176.70112.2K40 A41 I42 K48K40-K44 WeakPolarHBondContact O-CB 3.38Å; K40-K44 PolarHBondContact O-N 3.03Å; A41-K44 PolarHBondContact O-N 3.45Å; I42-K44 VanDerWaalsContact C-N 3.3Å; I42-K44 PolarHBondContact O-N 3.19Å; K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 PolarHBondContact O-N 2.99Å; K44-K48 VanDerWaalsContact O-N 3.1Å
45E96Very high95.3Very high139 Ų139103.1 Ų103.165%0.6552%0.524SS*.Hα-helixtrans-67.2-41.7174.7-71.9177.6-177.900111.8A41 I42 S43 K48 A49A41-E45 PolarHBondContact O-N 3.48Å; I42-E45 PolarHBondContact O-N 3.24Å; S43-E45 PolarHBondContact O-N 2.89Å; E45-K48 PolarHBondContact O-N 2.69Å; E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 3.34Å
46Y96.2Very high95.2Very high142 Ų142107.5 Ų107.556%0.55754%0.539SS*.Hα-helixtrans-61.6-48.5175176.1-90.7000111.6I42 S43 K48 A49 E50I42-Y46 VanDerWaalsContact O-CB 3.32Å; I42-Y46 WeakPolarHBondContact O-CB 3.35Å; I42-Y46 PolarHBondContact O-N 3.03Å; S43-Y46 PolarHBondContact O-N 2.89Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.16Å; Y46-A49 PolarHBondContact O-N 3.31Å; Y46-A49 VanDerWaalsContact O-N 3.15Å; Y46-E50 WeakPolarHBondContact CE1-OE2 3.17Å; Y46-E50 WeakPolarHBondContact O-CB 3.45Å; Y46-E50 PolarHBondContact O-N 2.69Å; Y46-E50 PolarHBondContact OH-OE2 2.94Å
47D96.2Very high95Very high77 Ų77107.6 Ų107.641%0.41255%0.547SS..Hα-helixtrans-61.8-37.9178.5-67.4-26.9000111.4S43 N51S43-D47 WeakPolarHBondContact O-CB 3.41Å; S43-D47 PolarHBondContact O-N 3.26Å; D47-N51 WeakPolarHBondContact O-CB 3.42Å; D47-N51 PolarHBondContact O-N 3.01Å; D47-N51 PolarHBondContact O-ND2 3.25Å
48K96.4Very high94.7Very high140 Ų140105.6 Ų105.661%0.60955%0.548SS*.Hα-helixtrans-62.8-49.7173.5-174.5-176175.8-172.30110.9K44 E45 Y46 E50 N51 D52K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 PolarHBondContact O-N 2.99Å; K44-K48 VanDerWaalsContact O-N 3.1Å; E45-K48 PolarHBondContact O-N 2.69Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.16Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.21Å; K48-N51 PolarHBondContact O-N 3.43Å; K48-D52 VanDerWaalsContact O-CG 3.28Å; K48-D52 PolarHBondContact O-N 2.71Å
49A95.6Very high94.5Very high50 Ų50104.7 Ų104.741%0.41355%0.552SS.*Hα-helixtrans-62.2-38.4178.800000112.2E45 Y46 D52 L53E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 3.34Å; Y46-A49 PolarHBondContact O-N 3.31Å; Y46-A49 VanDerWaalsContact O-N 3.15Å; A49-D52 PolarHBondContact O-N 3.24Å; A49-L53 WeakPolarHBondContact O-CG 3.26Å; A49-L53 PolarHBondContact O-N 2.83Å
50E95.8Very high94.2Very high62 Ų62103.1 Ų103.129%0.2955%0.548SS..Hα-helixtrans-66.1-39.3176.3-163.3-174.214200111.6Y46 K48 L53 K54Y46-E50 WeakPolarHBondContact CE1-OE2 3.17Å; Y46-E50 WeakPolarHBondContact O-CB 3.45Å; Y46-E50 PolarHBondContact O-N 2.69Å; Y46-E50 PolarHBondContact OH-OE2 2.94Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.21Å; E50-L53 PolarHBondContact O-N 2.92Å; E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 3.41Å; E50-K54 WeakPolarHBondContact OE1-CE 3.35Å; E50-K54 IonicContact OE1-NZ 3.2Å; E50-K54 PolarHBondContact OE1-NZ 3.47Å
51N95.7Very high94.1Very high97 Ų9798.7 Ų98.752%0.51953%0.53SS..Hα-helixtrans-65.5-40.7174.1-72.6-33.1000112.1D47 K48 L53 K54 A55D47-N51 WeakPolarHBondContact O-CB 3.42Å; D47-N51 PolarHBondContact O-N 3.01Å; D47-N51 PolarHBondContact O-ND2 3.25Å; K48-N51 PolarHBondContact O-N 3.43Å; N51-L53 VanDerWaalsContact C-N 3.35Å; N51-K54 PolarHBondContact O-N 3.44Å; N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.48Å
52D95.4Very high94Very high89 Ų8998.8 Ų98.848%0.47652%0.523SS..Hα-helixtrans-63.1-42.3175.8-66.2-21.8000110.7K48 A49 K54 A55 L56K48-D52 VanDerWaalsContact O-CG 3.28Å; K48-D52 PolarHBondContact O-N 2.71Å; A49-D52 PolarHBondContact O-N 3.24Å; D52-K54 PolarHBondContact O-N 3.32Å; D52-A55 PolarHBondContact O-N 3.08Å; D52-L56 WeakPolarHBondContact O-CG 3.41Å; D52-L56 PolarHBondContact O-N 3.07Å; D52-L56 VanDerWaalsContact O-N 3.11Å
53L94.1Very high93.8Very high114 Ų11495.4 Ų95.460%0.59751%0.507SS*.Hα-helixtrans-62-41.3174.2-74172.9000112.5A49 E50 N51 L56A49-L53 WeakPolarHBondContact O-CG 3.26Å; A49-L53 PolarHBondContact O-N 2.83Å; E50-L53 PolarHBondContact O-N 2.92Å; N51-L53 VanDerWaalsContact C-N 3.35Å; L53-L56 PolarHBondContact O-N 3.47Å
54K94.7Very high93.7Very high108 Ų10892.7 Ų92.747%0.4749%0.489SS..Hα-helixtrans-65.6-38.3174.9-73.4170.9-174.5163.40111.8E50 N51 D52 L56 Q57E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 3.41Å; E50-K54 WeakPolarHBondContact OE1-CE 3.35Å; E50-K54 IonicContact OE1-NZ 3.2Å; E50-K54 PolarHBondContact OE1-NZ 3.47Å; N51-K54 PolarHBondContact O-N 3.44Å; D52-K54 PolarHBondContact O-N 3.32Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 2.85Å; K54-Q57 PolarHBondContact O-N 3.22Å
55A93.6Very high93.5Very high59 Ų5988.1 Ų88.149%0.48847%0.472SS..Hα-helixtrans-64.2-36.2178.100000112.2N51 D52 Q57 S58N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.48Å; D52-A55 PolarHBondContact O-N 3.08Å; A55-Q57 PolarHBondContact O-N 3.21Å; A55-S58 WeakPolarHBondContact O-CB 3.49Å; A55-S58 PolarHBondContact O-N 2.93Å; A55-S58 PolarHBondContact O-OG 3.27Å
56L92.2Very high93.4Very high146 Ų14681.6 Ų81.676%0.76444%0.441SS*.Hα-helixtrans-63.2-22177-70.9172.3000114D52 L53 K54 S58D52-L56 WeakPolarHBondContact O-CG 3.41Å; D52-L56 PolarHBondContact O-N 3.07Å; D52-L56 VanDerWaalsContact O-N 3.11Å; L53-L56 PolarHBondContact O-N 3.47Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 2.85Å; L56-S58 VanDerWaalsContact C-N 3.29Å
57Q90.5Very high93.2Very high164 Ų16478.1 Ų78.177%0.76643%0.432SS*.THydrogen-bonded Turntrans-78.9-12.9176-64.6-176.6-21.700113.2K54 A55 V59K54-Q57 PolarHBondContact O-N 3.22Å; A55-Q57 PolarHBondContact O-N 3.21Å; Q57-V59 PolarHBondContact O-N 3.31Å
58S87.9Confident93Very high94 Ų9480.9 Ų80.966%0.65744%0.441SS*.PPolyproline II helixtrans-74126.5-179.568.80000111.1A55 L56A55-S58 WeakPolarHBondContact O-CB 3.49Å; A55-S58 PolarHBondContact O-N 2.93Å; A55-S58 PolarHBondContact O-OG 3.27Å; L56-S58 VanDerWaalsContact C-N 3.29Å
59V89.6Confident92.7Very high103 Ų10377.8 Ų77.862%0.62443%0.428SS*.PPolyproline II helixtrans-91.7146.2175.7-66.10000110.7Q57 M108Q57-V59 PolarHBondContact O-N 3.31Å; V59-M108 HydrophobicContact CB-CE 3.93Å
60G90.2Very high92.5Very high44 Ų4480.5 Ų80.545%0.45444%0.435SS..PPolyproline II helixtrans-60.3158.8171.200000112.3M108G60-M108 VanDerWaalsContact O-CE 3.25Å; G60-M108 WeakPolarHBondContact O-CE 3.44Å; G60-M108 WeakPolarHBondContact O-CG 3.43Å
61Q92.5Very high92.1Very high63 Ų6380.7 Ų80.729%0.29444%0.441SS..EExtended strand (participates in β ladder)trans-120.7143.1174.1-63.3-177.8-19.700108.4A105 L106Q61-A105 HydrophobicContact CB-CB 4Å; Q61-A105 VanDerWaalsContact OE1-CB 3.26Å; Q61-L106 CarbonylContact C-O 3.54Å; Q61-L106 WeakPolarHBondContact CA-O 3.28Å; Q61-L106 WeakPolarHBondContact CB-O 3.47Å
62I92.8Very high91.6Very high52 Ų5282.3 Ų82.327%0.26745%0.449SS..EExtended strand (participates in β ladder)trans-79.8132.8176.5-60.3174.2000108A79 A105 L106 M108 L111I62-A79 HydrophobicContact CG2-CB 4.24Å; I62-A105 CarbonylContact O-C 3.59Å; I62-A105 WeakPolarHBondContact O-CA 3.4Å; I62-L106 HydrophobicContact CB-CB 4.25Å; I62-L106 PolarHBondContact N-O 2.91Å; I62-L106 PolarHBondContact O-N 3.25Å; I62-M108 HydrophobicContact CD1-CG 4.25Å; I62-M108 HydrophobicContact CG1-CG 3.81Å; I62-L111 HydrophobicContact CD1-CD2 4Å
63V93.5Very high91.1Very high40 Ų4082.3 Ų82.324%0.24245%0.449CS..EExtended strand (participates in β ladder)trans-87.4139174.8-179.80000109.9S80 R103 L117V63-S80 PolarHBondContact O-N 3.33Å; V63-S80 PolarHBondContact O-OG 2.98Å; V63-S80 VanDerWaalsContact O-OG 3.07Å; V63-R103 HydrophobicContact CG1-CG 3.89Å; V63-L117 HydrophobicContact CG1-CD1 4.17Å; V63-L117 HydrophobicContact CG2-CD1 4.13Å
64G92.2Very high90.9Very high0 Ų081.1 Ų81.10%044%0.441CS..EExtended strand (participates in β ladder)trans-156.3172173.300000112.9K78 R103 V104G64-K78 CarbonylContact C-O 3.5Å; G64-K78 WeakPolarHBondContact CA-O 3.29Å; G64-R103 CarbonylContact O-C 3.6Å; G64-R103 WeakPolarHBondContact O-CA 3.15Å; G64-V104 PolarHBondContact N-O 3.38Å; G64-V104 WeakPolarHBondContact O-CG2 3.37Å; G64-V104 PolarHBondContact O-N 2.94Å
65D92.9Very high90.9Very high68 Ų6876 Ų7636%0.36442%0.418SS..EExtended strand (participates in β ladder)trans-112.3136.2179.1-59.4-45.6000110.5L67 V77 K78D65-L67 PolarHBondContact O-N 3.48Å; D65-V77 CarbonylContact O-C 3.59Å; D65-V77 VanDerWaalsContact O-CA 3.29Å; D65-V77 WeakPolarHBondContact O-CA 3.33Å; D65-K78 PolarHBondContact N-O 3.49Å; D65-K78 PolarHBondContact O-N 3.24Å
66V93.1Very high90.9Very high1 Ų175.4 Ų75.41%0.00641%0.407CS..EExtended strand (participates in β ladder)trans-72.1117.5173179.70000108.5F75 V77 P100 G101 T102 V104V66-F75 HydrophobicContact CG1-CD1 4.04Å; V66-V77 HydrophobicContact CG2-CG1 4.22Å; V66-P100 CarbonylContact O-C 3.58Å; V66-P100 WeakPolarHBondContact O-CA 3.39Å; V66-G101 PolarHBondContact O-N 2.85Å; V66-T102 PolarHBondContact N-O 2.91Å; V66-V104 HydrophobicContact CG2-CB 4.39Å; V66-V104 HydrophobicContact CG2-CG1 3.57Å; V66-V104 HydrophobicContact CG2-CG2 3.87Å
67L91.9Very high91Very high70 Ų7068.5 Ų68.537%0.36637%0.37SS..EExtended strand (participates in β ladder)trans-83.8-50.7175.5-70.2177000111.2D65 I76 K78 R84 P100D65-L67 PolarHBondContact O-N 3.48Å; L67-I76 HydrophobicContact CB-CB 4.47Å; L67-I76 HydrophobicContact CB-CG2 4.24Å; L67-I76 HydrophobicContact CD1-CG2 4.08Å; L67-I76 PolarHBondContact N-O 3.4Å; L67-K78 HydrophobicContact CD1-CB 3.99Å; L67-K78 HydrophobicContact CD2-CB 4.44Å; L67-K78 HydrophobicContact CG-CB 4.09Å; L67-R84 HydrophobicContact CD1-CG 4.03Å; L67-P100 WeakPolarHBondContact O-CB 2.92Å
68K92.5Very high91.2Very high135 Ų13564.8 Ų64.859%0.58735%0.351SS*.EExtended strand (participates in β ladder)trans-159.7143.6-175.4-170.2178.5175.6-179.30110.5I76K68-I76 PolarHBondContact N-O 2.94Å; K68-I76 PolarHBondContact O-N 3.03Å
69Q91Very high91.3Very high75 Ų7560.5 Ų60.535%0.3532%0.322SS..EExtended strand (participates in β ladder)trans-79.5128.3167-172.3174.216.200109.8T71 D72 F75Q69-T71 WeakPolarHBondContact CG-O 3.43Å; Q69-T71 PolarHBondContact NE2-O 3.24Å; Q69-D72 PolarHBondContact NE2-O 3.49Å; Q69-F75 HydrophobicContact CB-CD1 3.85Å; Q69-F75 HydrophobicContact CB-CE1 3.72Å; Q69-F75 HydrophobicContact CG-CD1 3.88Å; Q69-F75 HydrophobicContact CG-CE1 3.48Å; Q69-F75 VanDerWaalsContact CG-CE1 3.48Å; Q69-F75 HydrophobicContact CG-CZ 3.87Å
70L90.1Very high91.2Very high106 Ų10659.4 Ų59.456%0.55532%0.319SS*.  trans-94.7-48.9179.7-175.365000111.1H74 V86L70-H74 PolarHBondContact N-O 3.11Å; L70-V86 HydrophobicContact CD2-CG1 4.44Å
71T88.5Confident90.9Very high66 Ų6664.4 Ų64.441%0.40534%0.335SS..SBendtrans-136.7177.4173.867.90000109Q69 D73 H74Q69-T71 WeakPolarHBondContact CG-O 3.43Å; Q69-T71 PolarHBondContact NE2-O 3.24Å; T71-D73 PolarHBondContact O-N 3.03Å; T71-H74 PolarHBondContact N-O 3.4Å; T71-H74 VanDerWaalsContact N-O 3.17Å; T71-H74 PolarHBondContact O-N 2.81Å; T71-H74 VanDerWaalsContact O-O 3.12Å; T71-H74 WeakPolarHBondContact OG1-CB 2.83Å; T71-H74 PolarHBondContact OG1-N 3.42Å; T71-H74 PolarHBondContact OG1-ND1 3.37Å
72D83.8Confident90.6Very high132 Ų13263.2 Ų63.271%0.70634%0.34SS*.SBendtrans-54-39.7179.2-65.1-22.6000112.8Q69Q69-D72 PolarHBondContact NE2-O 3.49Å
73D85.9Confident90.6Very high89 Ų8963.2 Ų63.248%0.47634%0.343SS..SBendtrans-99.2-12.1-179-70.4-28.5000115.6T71 G88 C89T71-D73 PolarHBondContact O-N 3.03Å; D73-G88 WeakPolarHBondContact O-CA 3.04Å; D73-C89 PolarHBondContact O-N 3.34Å
74H90.6Very high90.6Very high89 Ų8970 Ų7041%0.41236%0.364SS..EExtended strand (participates in β ladder)trans-118.6130.1-171.8-60.589.4000112L70 T71 V86 V87L70-H74 PolarHBondContact N-O 3.11Å; T71-H74 PolarHBondContact N-O 3.4Å; T71-H74 VanDerWaalsContact N-O 3.17Å; T71-H74 PolarHBondContact O-N 2.81Å; T71-H74 VanDerWaalsContact O-O 3.12Å; T71-H74 WeakPolarHBondContact OG1-CB 2.83Å; T71-H74 PolarHBondContact OG1-N 3.42Å; T71-H74 PolarHBondContact OG1-ND1 3.37Å; H74-V86 HydrophobicContact CB-CG1 4.24Å; H74-V87 WeakPolarHBondContact CA-O 3.27Å
75F92.9Very high90.7Very high0 Ų074 Ų740%038%0.38CS..EExtended strand (participates in β ladder)trans-123.2146.5-179.5-64.9-96.4000110.1V66 Q69 V77 V86 V87 C89 L98 I113V66-F75 HydrophobicContact CG1-CD1 4.04Å; Q69-F75 HydrophobicContact CB-CD1 3.85Å; Q69-F75 HydrophobicContact CB-CE1 3.72Å; Q69-F75 HydrophobicContact CG-CD1 3.88Å; Q69-F75 HydrophobicContact CG-CE1 3.48Å; Q69-F75 VanDerWaalsContact CG-CE1 3.48Å; Q69-F75 HydrophobicContact CG-CZ 3.87Å; F75-V77 HydrophobicContact CB-CG1 4.5Å; F75-V86 CarbonylContact O-C 3.6Å; F75-V86 WeakPolarHBondContact O-CA 3.47Å; F75-V87 HydrophobicContact CB-CG2 4.25Å; F75-V87 PolarHBondContact N-O 3.48Å; F75-V87 WeakPolarHBondContact O-CG2 3.36Å; F75-V87 PolarHBondContact O-N 2.98Å; F75-C89 HydrophobicContact CD2-CB 4.11Å; F75-C89 HydrophobicContact CE2-CB 3.88Å; F75-L98 HydrophobicContact CD1-CB 4.3Å; F75-L98 HydrophobicContact CD2-CD1 4.49Å; F75-L98 HydrophobicContact CE1-CB 3.72Å; F75-L98 HydrophobicContact CE1-CD1 4.06Å; F75-L98 HydrophobicContact CE2-CD1 4.08Å; F75-L98 HydrophobicContact CZ-CB 4.2Å; F75-L98 HydrophobicContact CZ-CD1 3.84Å; F75-I113 HydrophobicContact CB-CD1 3.84Å; F75-I113 HydrophobicContact CD2-CD1 4.01Å; F75-I113 HydrophobicContact CG-CD1 3.96Å
76I94.6Very high90.7Very high47 Ų4775.1 Ų75.124%0.24139%0.389CS..EExtended strand (participates in β ladder)trans-91.7118.2167.8-56.1179.8000107L67 K68 Y85 V86L67-I76 HydrophobicContact CB-CB 4.47Å; L67-I76 HydrophobicContact CB-CG2 4.24Å; L67-I76 HydrophobicContact CD1-CG2 4.08Å; L67-I76 PolarHBondContact N-O 3.4Å; K68-I76 PolarHBondContact N-O 2.94Å; K68-I76 PolarHBondContact O-N 3.03Å; I76-Y85 WeakPolarHBondContact CA-O 3.41Å; I76-V86 HydrophobicContact CG1-CG2 4.44Å
77V93.9Very high90.7Very high0 Ų075.3 Ų75.30%039%0.39CS..EExtended strand (participates in β ladder)trans-116.3145.1177.2-630000110.4D65 V66 F75 R84 Y85 V87 V104 L106 I113D65-V77 CarbonylContact O-C 3.59Å; D65-V77 VanDerWaalsContact O-CA 3.29Å; D65-V77 WeakPolarHBondContact O-CA 3.33Å; V66-V77 HydrophobicContact CG2-CG1 4.22Å; F75-V77 HydrophobicContact CB-CG1 4.5Å; V77-R84 CarbonylContact O-C 3.45Å; V77-R84 VanDerWaalsContact O-CA 3.3Å; V77-R84 WeakPolarHBondContact O-CA 3.41Å; V77-Y85 PolarHBondContact N-O 3.18Å; V77-Y85 PolarHBondContact O-N 3.33Å; V77-V87 HydrophobicContact CB-CG2 4.08Å; V77-V87 HydrophobicContact CG1-CG2 3.46Å; V77-V87 VanDerWaalsContact CG1-CG2 3.46Å; V77-V87 HydrophobicContact CG2-CB 4.13Å; V77-V87 HydrophobicContact CG2-CG1 3.47Å; V77-V87 VanDerWaalsContact CG2-CG1 3.47Å; V77-V87 HydrophobicContact CG2-CG2 3.48Å; V77-V87 VanDerWaalsContact CG2-CG2 3.48Å; V77-V104 HydrophobicContact CG1-CG2 4.11Å; V77-L106 HydrophobicContact CB-CD1 4.37Å; V77-L106 HydrophobicContact CG1-CD2 4.44Å; V77-L106 HydrophobicContact CG2-CD1 3.67Å; V77-L106 HydrophobicContact CG2-CD2 4.12Å; V77-I113 HydrophobicContact CG1-CD1 4.09Å; V77-I113 HydrophobicContact CG1-CG1 4.41Å
78K94.2Very high90.8Very high86 Ų8673.2 Ų73.237%0.37439%0.385SS..EExtended strand (participates in β ladder)trans-105.1119.3170.1-175.4-174.8173.2-166.50108G64 D65 L67 R84G64-K78 CarbonylContact C-O 3.5Å; G64-K78 WeakPolarHBondContact CA-O 3.29Å; D65-K78 PolarHBondContact N-O 3.49Å; D65-K78 PolarHBondContact O-N 3.24Å; L67-K78 HydrophobicContact CD1-CB 3.99Å; L67-K78 HydrophobicContact CD2-CB 4.44Å; L67-K78 HydrophobicContact CG-CB 4.09Å; K78-R84 HydrophobicContact CB-CG 4.38Å; K78-R84 HydrophobicContact CG-CG 4.31Å
79A91.7Very high90.6Very high5 Ų567.8 Ų67.84%0.04136%0.364CS..EExtended strand (participates in β ladder)trans-68.9153.2172.800000110.3I62 N81 G82 P83 Y85I62-A79 HydrophobicContact CG2-CB 4.24Å; A79-N81 PolarHBondContact O-N 3.08Å; A79-G82 PolarHBondContact O-N 2.83Å; A79-P83 HydrophobicContact CB-CG 4.46Å; A79-P83 PolarHBondContact N-O 3.09Å; A79-Y85 HydrophobicContact CB-CD2 4.35Å; A79-Y85 HydrophobicContact CB-CE2 3.92Å
80S86.1Confident90.4Very high80 Ų8071 Ų7156%0.55937%0.373SS*.THydrogen-bonded Turntrans-54.4-27.7175.1-60.40000113V63 G82V63-S80 PolarHBondContact O-N 3.33Å; V63-S80 PolarHBondContact O-OG 2.98Å; V63-S80 VanDerWaalsContact O-OG 3.07Å; S80-G82 PolarHBondContact O-N 3.16Å
81N84Confident90.2Very high149 Ų14977 Ų7780%0.79739%0.388SS*.THydrogen-bonded Turntrans-73.9-5.8178-61.13.2000113.9A79 P83A79-N81 PolarHBondContact O-N 3.08Å; N81-P83 VanDerWaalsContact O-CD 3.3Å; N81-P83 WeakPolarHBondContact O-CD 3.25Å
82G86.2Confident90Very high37 Ų3777.9 Ų77.938%0.38140%0.397SS..SBendtrans108.3-39.1-179.800000117.8A79 S80A79-G82 PolarHBondContact O-N 2.83Å; S80-G82 PolarHBondContact O-N 3.16Å
83P92.7Very high90Very high53 Ų5373.4 Ų73.434%0.34437%0.373SS..  trans-68.8153.3-175.626.1-31.7000112.2A79 N81 Y85A79-P83 HydrophobicContact CB-CG 4.46Å; A79-P83 PolarHBondContact N-O 3.09Å; N81-P83 VanDerWaalsContact O-CD 3.3Å; N81-P83 WeakPolarHBondContact O-CD 3.25Å; P83-Y85 HydrophobicContact CB-CE2 4.01Å; P83-Y85 HydrophobicContact CG-CE2 3.76Å; P83-Y85 VanDerWaalsContact CG-OH 3.25Å; P83-Y85 WeakPolarHBondContact CG-OH 3.11Å
84R94.7Very high89.8Confident181 Ų18174.7 Ų74.768%0.68338%0.376SS*.EExtended strand (participates in β ladder)trans-108.4134.6-179.9-59.7176.7-174.8169.70.3109.4L67 V77 K78L67-R84 HydrophobicContact CD1-CG 4.03Å; V77-R84 CarbonylContact O-C 3.45Å; V77-R84 VanDerWaalsContact O-CA 3.3Å; V77-R84 WeakPolarHBondContact O-CA 3.41Å; K78-R84 HydrophobicContact CB-CG 4.38Å; K78-R84 HydrophobicContact CG-CG 4.31Å
85Y93.4Very high89.3Confident86 Ų8673 Ų7334%0.33738%0.375SS..EExtended strand (participates in β ladder)trans-125.2146.3-178.8-58.2-75.1000110.2I76 V77 A79 P83 L111I76-Y85 WeakPolarHBondContact CA-O 3.41Å; V77-Y85 PolarHBondContact N-O 3.18Å; V77-Y85 PolarHBondContact O-N 3.33Å; A79-Y85 HydrophobicContact CB-CD2 4.35Å; A79-Y85 HydrophobicContact CB-CE2 3.92Å; P83-Y85 HydrophobicContact CB-CE2 4.01Å; P83-Y85 HydrophobicContact CG-CE2 3.76Å; P83-Y85 VanDerWaalsContact CG-OH 3.25Å; P83-Y85 WeakPolarHBondContact CG-OH 3.11Å; Y85-L111 HydrophobicContact CD1-CD1 3.79Å; Y85-L111 HydrophobicContact CD2-CD1 4.45Å; Y85-L111 HydrophobicContact CE1-CD1 3.96Å; Y85-L111 HydrophobicContact CG-CD1 4.04Å
86V93.9Very high88.9Confident91 Ų9177.3 Ų77.355%0.55241%0.405SS*.EExtended strand (participates in β ladder)trans-92.3119.4163.7-177.90000106.5L70 H74 F75 I76L70-V86 HydrophobicContact CD2-CG1 4.44Å; H74-V86 HydrophobicContact CB-CG1 4.24Å; F75-V86 CarbonylContact O-C 3.6Å; F75-V86 WeakPolarHBondContact O-CA 3.47Å; I76-V86 HydrophobicContact CG1-CG2 4.44Å
87V93.2Very high88.5Confident4 Ų479.9 Ų79.92%0.02441%0.414CS..EExtended strand (participates in β ladder)trans-128.8145.6-169.2-61.80000111.3H74 F75 V77 L106 L111 I113H74-V87 WeakPolarHBondContact CA-O 3.27Å; F75-V87 HydrophobicContact CB-CG2 4.25Å; F75-V87 PolarHBondContact N-O 3.48Å; F75-V87 WeakPolarHBondContact O-CG2 3.36Å; F75-V87 PolarHBondContact O-N 2.98Å; V77-V87 HydrophobicContact CB-CG2 4.08Å; V77-V87 HydrophobicContact CG1-CG2 3.46Å; V77-V87 VanDerWaalsContact CG1-CG2 3.46Å; V77-V87 HydrophobicContact CG2-CB 4.13Å; V77-V87 HydrophobicContact CG2-CG1 3.47Å; V77-V87 VanDerWaalsContact CG2-CG1 3.47Å; V77-V87 HydrophobicContact CG2-CG2 3.48Å; V77-V87 VanDerWaalsContact CG2-CG2 3.48Å; V87-L106 HydrophobicContact CG1-CD2 4.43Å; V87-L106 HydrophobicContact CG2-CD2 4.2Å; V87-L111 WeakPolarHBondContact CB-O 3.5Å; V87-L111 HydrophobicContact CG1-CB 4.11Å; V87-L111 WeakPolarHBondContact CG1-O 3.36Å; V87-I113 HydrophobicContact CG2-CD1 3.84Å; V87-I113 HydrophobicContact CG2-CG1 3.75Å
88G92Very high88.2Confident26 Ų2680.2 Ų80.227%0.26842%0.416SS..EExtended strand (participates in β ladder)trans-79.2155.4169.300000111.7D73 T112 I113D73-G88 WeakPolarHBondContact O-CA 3.04Å; G88-T112 WeakPolarHBondContact O-CA 3.25Å; G88-I113 PolarHBondContact O-N 3.44Å
89C89Confident87.8Confident21 Ų2182.9 Ų82.914%0.14243%0.428CS..BIsolated β-bridgetrans-101.6147.6169.9650000112.6D73 F75 R91 L98 I113D73-C89 PolarHBondContact O-N 3.34Å; F75-C89 HydrophobicContact CD2-CB 4.11Å; F75-C89 HydrophobicContact CE2-CB 3.88Å; C89-R91 PolarHBondContact O-N 3.5Å; C89-L98 HydrophobicContact CB-CD1 4.49Å; C89-I113 HydrophobicContact CB-CB 4.33Å
90R88.1Confident87.7Confident144 Ų14487.2 Ų87.254%0.54346%0.455SS..PPolyproline II helixtrans-64125.6167.8-170.1179.9178.9179.80.6109.4S92 L93 I113R90-S92 WeakPolarHBondContact CD-OG 3.49Å; R90-S92 WeakPolarHBondContact CG-OG 3.31Å; R90-S92 PolarHBondContact NE-OG 3.2Å; R90-S92 PolarHBondContact O-N 3.03Å; R90-L93 HydrophobicContact CB-CD1 4.11Å; R90-L93 HydrophobicContact CB-CG 4.41Å; R90-L93 WeakPolarHBondContact O-CB 3.45Å; R90-L93 PolarHBondContact O-N 2.95Å; R90-I113 WeakPolarHBondContact CB-O 3.33Å; R90-I113 PolarHBondContact N-O 3.18Å; R90-I113 VanDerWaalsContact N-O 3.09Å
91R84.8Confident87.7Confident231 Ų23186.3 Ų86.387%0.87246%0.459SS*.THydrogen-bonded Turntrans-55.7-20.3-177-66.4-176.9178.7174.70.1115.4C89 L93C89-R91 PolarHBondContact O-N 3.5Å; R91-L93 VanDerWaalsContact C-N 3.29Å
92S85.5Confident87.9Confident85 Ų8581 Ų8159%0.59443%0.432SS*.THydrogen-bonded Turntrans-77.9-12.4176.5610000113.7R90R90-S92 WeakPolarHBondContact CD-OG 3.49Å; R90-S92 WeakPolarHBondContact CG-OG 3.31Å; R90-S92 PolarHBondContact NE-OG 3.2Å; R90-S92 PolarHBondContact O-N 3.03Å
93L82.4Confident88.2Confident38 Ų3881.6 Ų81.620%0.19942%0.423CS..SBendtrans-83.1140.5177.4-70.2166.9000110.6R90 R91 S95 I113R90-L93 HydrophobicContact CB-CD1 4.11Å; R90-L93 HydrophobicContact CB-CG 4.41Å; R90-L93 WeakPolarHBondContact O-CB 3.45Å; R90-L93 PolarHBondContact O-N 2.95Å; R91-L93 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.36Å; L93-S95 VanDerWaalsContact O-N 3.16Å; L93-I113 HydrophobicContact CD1-CB 4.46Å; L93-I113 HydrophobicContact CD1-CG2 3.75Å; L93-I113 WeakPolarHBondContact CD1-O 3.25Å
94Q82.3Confident88.2Confident115 Ų11579.1 Ų79.154%0.53741%0.406SS..  trans-74.8103.5173-68.6173.3-10.900108.9S96 K97Q94-S96 PolarHBondContact O-N 3.44Å; Q94-S96 VanDerWaalsContact O-N 3.15Å; Q94-K97 HydrophobicContact CB-CD 4.3Å; Q94-K97 HydrophobicContact CB-CG 4.37Å; Q94-K97 PolarHBondContact O-N 3.44Å; Q94-K97 VanDerWaalsContact O-N 3.09Å
95S80.8Confident88.2Confident54 Ų5470.6 Ų70.638%0.37837%0.374SS..G310 helixtrans-56.3-28.317951.30000113.1L93 K97 L98L93-S95 PolarHBondContact O-N 3.36Å; L93-S95 VanDerWaalsContact O-N 3.16Å; S95-K97 PolarHBondContact O-N 3.38Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact O-N 3.14Å
96S83.9Confident88.1Confident91 Ų9166.5 Ų66.564%0.63636%0.358SS*.G310 helixtrans-63.1-22.8177.159.40000114.8Q94Q94-S96 PolarHBondContact O-N 3.44Å; Q94-S96 VanDerWaalsContact O-N 3.15Å
97K86.7Confident88.1Confident101 Ų10163.3 Ų63.344%0.43934%0.338SS..G310 helixtrans-84.7-18.4177.6-69.5179.6170.8163.50112.9Q94 S95 K99 Q116Q94-K97 HydrophobicContact CB-CD 4.3Å; Q94-K97 HydrophobicContact CB-CG 4.37Å; Q94-K97 PolarHBondContact O-N 3.44Å; Q94-K97 VanDerWaalsContact O-N 3.09Å; S95-K97 PolarHBondContact O-N 3.38Å; K97-K99 VanDerWaalsContact C-N 3.3Å; K97-K99 PolarHBondContact O-N 2.99Å; K97-Q116 VanDerWaalsContact CB-OE1 3.23Å
98L86.7Confident87.9Confident7 Ų767.7 Ų67.74%0.03736%0.36CS..  trans-82.873-178.2-61.3179.6000110.8F75 C89 S95 V104 I113 Q116F75-L98 HydrophobicContact CD1-CB 4.3Å; F75-L98 HydrophobicContact CD2-CD1 4.49Å; F75-L98 HydrophobicContact CE1-CB 3.72Å; F75-L98 HydrophobicContact CE1-CD1 4.06Å; F75-L98 HydrophobicContact CE2-CD1 4.08Å; F75-L98 HydrophobicContact CZ-CB 4.2Å; F75-L98 HydrophobicContact CZ-CD1 3.84Å; C89-L98 HydrophobicContact CB-CD1 4.49Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact O-N 3.14Å; L98-V104 HydrophobicContact CD2-CG1 3.66Å; L98-I113 HydrophobicContact CD1-CD1 4.2Å; L98-I113 HydrophobicContact CD1-CG2 4.42Å; L98-Q116 HydrophobicContact CD2-CB 4.42Å
99K86.6Confident87.8Confident141 Ų14172.2 Ų72.261%0.61338%0.382SS*.  trans-83.5156.6177.2-65.4-177.4-179.1179.70111.1K97 G101 T102K97-K99 VanDerWaalsContact C-N 3.3Å; K97-K99 PolarHBondContact O-N 2.99Å; K99-G101 PolarHBondContact O-N 3.41Å; K99-T102 HydrophobicContact CB-CG2 4.08Å; K99-T102 WeakPolarHBondContact O-CB 3.4Å; K99-T102 WeakPolarHBondContact O-CG2 3.4Å; K99-T102 PolarHBondContact O-N 3.47Å; K99-T102 PolarHBondContact O-OG1 3.45Å
100P88.2Confident88Confident96 Ų9675.2 Ų75.262%0.62340%0.4SS*.THydrogen-bonded Turntrans-49.6126.2167.2-28.136.9000111.2V66 L67V66-P100 CarbonylContact O-C 3.58Å; V66-P100 WeakPolarHBondContact O-CA 3.39Å; L67-P100 WeakPolarHBondContact O-CB 2.92Å
101G85.8Confident88.1Confident61 Ų6170.5 Ų70.563%0.62939%0.386SS*.THydrogen-bonded Turntrans93.8-5.7-177.200000115.4V66 K99V66-G101 PolarHBondContact O-N 2.85Å; K99-G101 PolarHBondContact O-N 3.41Å
102T89.4Confident88.5Confident38 Ų3861.4 Ų61.423%0.23336%0.355CS..  trans-74.9133.8175.2600000111.4V66 K99V66-T102 PolarHBondContact N-O 2.91Å; K99-T102 HydrophobicContact CB-CG2 4.08Å; K99-T102 WeakPolarHBondContact O-CB 3.4Å; K99-T102 WeakPolarHBondContact O-CG2 3.4Å; K99-T102 PolarHBondContact O-N 3.47Å; K99-T102 PolarHBondContact O-OG1 3.45Å
103R91.2Very high88.8Confident50 Ų5057.3 Ų57.319%0.18933%0.327CS..EExtended strand (participates in β ladder)trans-75.2135.6174.4-160178.9-172.2-165.84.7110V63 G64 L117 E120V63-R103 HydrophobicContact CG1-CG 3.89Å; G64-R103 CarbonylContact O-C 3.6Å; G64-R103 WeakPolarHBondContact O-CA 3.15Å; R103-L117 HydrophobicContact CB-CB 4.12Å; R103-L117 HydrophobicContact CG-CB 4.13Å; R103-L117 HydrophobicContact CG-CD1 4.25Å; R103-L117 PolarHBondContact O-N 2.81Å; R103-E120 IonicContact CZ-OE1 2.81Å; R103-E120 IonicContact CZ-OE2 3.61Å; R103-E120 VanDerWaalsContact CZ-OE2 3.23Å; R103-E120 IonicContact NE-OE2 3.88Å; R103-E120 VanDerWaalsContact NH1-CD 3.26Å; R103-E120 IonicContact NH1-OE1 3.8Å; R103-E120 PolarHBondContact NH1-OE1 2.95Å; R103-E120 IonicContact NH1-OE2 2.91Å; R103-E120 IonicContact NH2-OE1 3.5Å; R103-E120 PolarHBondContact NH2-OE1 3.43Å; R103-E120 IonicContact NH2-OE2 2.81Å; R103-E120 PolarHBondContact NH2-OE2 3.49Å
104V93.3Very high89.2Confident0 Ų057.6 Ų57.60%033%0.328CS..EExtended strand (participates in β ladder)trans-135.3152.6-177.8-690000111.2G64 V66 V77 L98 L106 I113G64-V104 PolarHBondContact N-O 3.38Å; G64-V104 WeakPolarHBondContact O-CG2 3.37Å; G64-V104 PolarHBondContact O-N 2.94Å; V66-V104 HydrophobicContact CG2-CB 4.39Å; V66-V104 HydrophobicContact CG2-CG1 3.57Å; V66-V104 HydrophobicContact CG2-CG2 3.87Å; V77-V104 HydrophobicContact CG1-CG2 4.11Å; L98-V104 HydrophobicContact CD2-CG1 3.66Å; V104-L106 HydrophobicContact CG2-CD2 4.47Å; V104-I113 HydrophobicContact CB-CG2 4.04Å; V104-I113 HydrophobicContact CG1-CG2 4.03Å
105A94.1Very high89.6Confident2 Ų258.6 Ų58.62%0.01733%0.327CS..EExtended strand (participates in β ladder)trans-99.2128.2170.100000109.7Q61 I62 M114 R115 L117Q61-A105 HydrophobicContact CB-CB 4Å; Q61-A105 VanDerWaalsContact OE1-CB 3.26Å; I62-A105 CarbonylContact O-C 3.59Å; I62-A105 WeakPolarHBondContact O-CA 3.4Å; A105-M114 PolarHBondContact O-N 2.96Å; A105-R115 HydrophobicContact CB-CG 3.8Å; A105-R115 PolarHBondContact N-O 3.03Å; A105-L117 HydrophobicContact CB-CD1 4.06Å; A105-L117 HydrophobicContact CB-CD2 4.34Å; A105-L117 HydrophobicContact CB-CG 4.18Å
106L92.9Very high90.1Very high0 Ų060.4 Ų60.40%033%0.329CS..EExtended strand (participates in β ladder)trans-104.5142.3178.1-59170.8000109.5Q61 I62 V77 V87 V104 T112 I113Q61-L106 CarbonylContact C-O 3.54Å; Q61-L106 WeakPolarHBondContact CA-O 3.28Å; Q61-L106 WeakPolarHBondContact CB-O 3.47Å; I62-L106 HydrophobicContact CB-CB 4.25Å; I62-L106 PolarHBondContact N-O 2.91Å; I62-L106 PolarHBondContact O-N 3.25Å; V77-L106 HydrophobicContact CB-CD1 4.37Å; V77-L106 HydrophobicContact CG1-CD2 4.44Å; V77-L106 HydrophobicContact CG2-CD1 3.67Å; V77-L106 HydrophobicContact CG2-CD2 4.12Å; V87-L106 HydrophobicContact CG1-CD2 4.43Å; V87-L106 HydrophobicContact CG2-CD2 4.2Å; V104-L106 HydrophobicContact CG2-CD2 4.47Å; L106-T112 WeakPolarHBondContact CA-O 3.43Å; L106-I113 HydrophobicContact CD2-CB 4.4Å; L106-I113 HydrophobicContact CD2-CG1 3.64Å
107D92.7Very high90.5Very high25 Ų2558.5 Ų58.513%0.13431%0.311CS..EExtended strand (participates in β ladder)trans-64.9137.6168.4177.148000111.2T109 T110 L111 T112 M114D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 3.39Å; D107-T109 PolarHBondContact OD2-N 3.48Å; D107-T109 PolarHBondContact OD2-OG1 3.07Å; D107-T110 WeakPolarHBondContact CB-OG1 3.41Å; D107-T110 WeakPolarHBondContact OD2-CB 3.44Å; D107-T110 PolarHBondContact OD2-N 3.32Å; D107-T110 PolarHBondContact OD2-OG1 3.01Å; D107-L111 VanDerWaalsContact O-CA 3.24Å; D107-L111 WeakPolarHBondContact O-CA 3.48Å; D107-L111 PolarHBondContact O-N 2.78Å; D107-T112 PolarHBondContact N-O 3.33Å; D107-M114 HydrophobicContact CB-CE 3.93Å; D107-M114 HydrophobicContact CB-CG 4Å; D107-M114 HydrophobicContact CB-SD 4.42Å
108M89.3Confident90.5Very high95 Ų9558.8 Ų58.847%0.46832%0.324SS..THydrogen-bonded Turntrans-64.3-32.3-177.9-79.8-170.5-5400112.7V59 G60 I62V59-M108 HydrophobicContact CB-CE 3.93Å; G60-M108 VanDerWaalsContact O-CE 3.25Å; G60-M108 WeakPolarHBondContact O-CE 3.44Å; G60-M108 WeakPolarHBondContact O-CG 3.43Å; I62-M108 HydrophobicContact CD1-CG 4.25Å; I62-M108 HydrophobicContact CG1-CG 3.81Å
109T90.8Very high90.3Very high122 Ų12264.4 Ų64.475%0.74835%0.345SS*.THydrogen-bonded Turntrans-92.8-44.7-172.565.40000113.1D107D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 3.39Å; D107-T109 PolarHBondContact OD2-N 3.48Å; D107-T109 PolarHBondContact OD2-OG1 3.07Å
110T91.9Very high90Very high84 Ų8462.7 Ų62.752%0.51534%0.339SS..THydrogen-bonded Turntrans-100.5-9.3-174.160.40000113.6D107 T112D107-T110 WeakPolarHBondContact CB-OG1 3.41Å; D107-T110 WeakPolarHBondContact OD2-CB 3.44Å; D107-T110 PolarHBondContact OD2-N 3.32Å; D107-T110 PolarHBondContact OD2-OG1 3.01Å; T110-T112 PolarHBondContact O-N 2.8Å; T110-T112 PolarHBondContact OG1-OG1 3.19Å
111L90.7Very high89.7Confident45 Ų4560.8 Ų60.824%0.23633%0.325CS..  trans52.535.3-172.8-60.8173.8000112.7I62 Y85 V87 D107I62-L111 HydrophobicContact CD1-CD2 4Å; Y85-L111 HydrophobicContact CD1-CD1 3.79Å; Y85-L111 HydrophobicContact CD2-CD1 4.45Å; Y85-L111 HydrophobicContact CE1-CD1 3.96Å; Y85-L111 HydrophobicContact CG-CD1 4.04Å; V87-L111 WeakPolarHBondContact CB-O 3.5Å; V87-L111 HydrophobicContact CG1-CB 4.11Å; V87-L111 WeakPolarHBondContact CG1-O 3.36Å; D107-L111 VanDerWaalsContact O-CA 3.24Å; D107-L111 WeakPolarHBondContact O-CA 3.48Å; D107-L111 PolarHBondContact O-N 2.78Å
112T92.4Very high89.5Confident39 Ų3959 Ų5924%0.23930%0.301CS..  trans-93.5143.8177.650.50000111.5G88 L106 D107 T110 M114G88-T112 WeakPolarHBondContact O-CA 3.25Å; L106-T112 WeakPolarHBondContact CA-O 3.43Å; D107-T112 PolarHBondContact N-O 3.33Å; T110-T112 PolarHBondContact O-N 2.8Å; T110-T112 PolarHBondContact OG1-OG1 3.19Å; T112-M114 PolarHBondContact O-N 2.95Å; T112-M114 VanDerWaalsContact O-N 3.15Å; T112-M114 WeakPolarHBondContact OG1-CE 3.34Å
113I92.9Very high89.3Confident0 Ų061.3 Ų61.30%032%0.317CS..EExtended strand (participates in β ladder)trans-68.3113.2177.8-59.2171.8000109.3F75 V77 V87 G88 C89 R90 L93 L98 V104 L106F75-I113 HydrophobicContact CB-CD1 3.84Å; F75-I113 HydrophobicContact CD2-CD1 4.01Å; F75-I113 HydrophobicContact CG-CD1 3.96Å; V77-I113 HydrophobicContact CG1-CD1 4.09Å; V77-I113 HydrophobicContact CG1-CG1 4.41Å; V87-I113 HydrophobicContact CG2-CD1 3.84Å; V87-I113 HydrophobicContact CG2-CG1 3.75Å; G88-I113 PolarHBondContact O-N 3.44Å; C89-I113 HydrophobicContact CB-CB 4.33Å; R90-I113 WeakPolarHBondContact CB-O 3.33Å; R90-I113 PolarHBondContact N-O 3.18Å; R90-I113 VanDerWaalsContact N-O 3.09Å; L93-I113 HydrophobicContact CD1-CB 4.46Å; L93-I113 HydrophobicContact CD1-CG2 3.75Å; L93-I113 WeakPolarHBondContact CD1-O 3.25Å; L98-I113 HydrophobicContact CD1-CD1 4.2Å; L98-I113 HydrophobicContact CD1-CG2 4.42Å; V104-I113 HydrophobicContact CB-CG2 4.04Å; V104-I113 HydrophobicContact CG1-CG2 4.03Å; L106-I113 HydrophobicContact CD2-CB 4.4Å; L106-I113 HydrophobicContact CD2-CG1 3.64Å
114M90.9Very high89Confident44 Ų4462.9 Ų62.922%0.21733%0.329CS..EExtended strand (participates in β ladder)trans-88.9-46.1-177.5-73.3-66.5119.500112.7A105 D107 T112A105-M114 PolarHBondContact O-N 2.96Å; D107-M114 HydrophobicContact CB-CE 3.93Å; D107-M114 HydrophobicContact CB-CG 4Å; D107-M114 HydrophobicContact CB-SD 4.42Å; T112-M114 PolarHBondContact O-N 2.95Å; T112-M114 VanDerWaalsContact O-N 3.15Å; T112-M114 WeakPolarHBondContact OG1-CE 3.34Å
115R90.8Very high88.6Confident136 Ų13662.9 Ų62.951%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-156.8154-179.765-175.5108.8-164.70.3111.4A105 L117A105-R115 HydrophobicContact CB-CG 3.8Å; A105-R115 PolarHBondContact N-O 3.03Å; R115-L117 HydrophobicContact CG-CD2 4.35Å
116Q91.2Very high88.1Confident92 Ų9267.5 Ų67.543%0.4335%0.35SS..EExtended strand (participates in β ladder)trans-75.3144.3165.466.1179.83600109.9K97 L98K97-Q116 VanDerWaalsContact CB-OE1 3.23Å; L98-Q116 HydrophobicContact CD2-CB 4.42Å
117L91.2Very high87.7Confident50 Ų5072 Ų7226%0.26237%0.374SS..  trans-110.7148.9174.9-64.5175000109.4V63 R103 A105 R115V63-L117 HydrophobicContact CG1-CD1 4.17Å; V63-L117 HydrophobicContact CG2-CD1 4.13Å; R103-L117 HydrophobicContact CB-CB 4.12Å; R103-L117 HydrophobicContact CG-CB 4.13Å; R103-L117 HydrophobicContact CG-CD1 4.25Å; R103-L117 PolarHBondContact O-N 2.81Å; A105-L117 HydrophobicContact CB-CD1 4.06Å; A105-L117 HydrophobicContact CB-CD2 4.34Å; A105-L117 HydrophobicContact CB-CG 4.18Å; R115-L117 HydrophobicContact CG-CD2 4.35Å
118P87.4Confident87.3Confident107 Ų10772 Ų7270%0.69537%0.373SS*.PPolyproline II helixtrans-62.1163.7166.829.6-34.3000110.2
119R82.4Confident86.7Confident126 Ų12669 Ų6948%0.47536%0.362SS..PPolyproline II helixtrans-57.4143.6174.2-66.7179.672.6-172.49.5109.8N226 D230R119-N226 VanDerWaalsContact NH2-CB 3.35Å; R119-N226 PolarHBondContact NH2-ND2 3.3Å; R119-N226 PolarHBondContact NH2-OD1 3Å; R119-D230 IonicContact CZ-OD2 3.8Å; R119-D230 IonicContact NE-OD2 2.66Å; R119-D230 IonicContact NH1-OD1 2.62Å; R119-D230 PolarHBondContact NH1-OD1 3.11Å; R119-D230 IonicContact NH1-OD2 3.08Å; R119-D230 PolarHBondContact NH1-OD2 3.31Å
120E81.4Confident85.7Confident104 Ų10466 Ų6649%0.48635%0.349SS..PPolyproline II helixtrans-68.1139.1171.5-167.4148.7-134.100109.6R103R103-E120 IonicContact CZ-OE1 2.81Å; R103-E120 IonicContact CZ-OE2 3.61Å; R103-E120 VanDerWaalsContact CZ-OE2 3.23Å; R103-E120 IonicContact NE-OE2 3.88Å; R103-E120 VanDerWaalsContact NH1-CD 3.26Å; R103-E120 IonicContact NH1-OE1 3.8Å; R103-E120 PolarHBondContact NH1-OE1 2.95Å; R103-E120 IonicContact NH1-OE2 2.91Å; R103-E120 IonicContact NH2-OE1 3.5Å; R103-E120 PolarHBondContact NH2-OE1 3.43Å; R103-E120 IonicContact NH2-OE2 2.81Å; R103-E120 PolarHBondContact NH2-OE2 3.49Å
121V80.8Confident84.7Confident56 Ų5666.4 Ų66.434%0.33935%0.345SS..  trans-116.3125.5161.7-174.50000105.6V125 H126 Y227V121-V125 HydrophobicContact CG1-CB 4.16Å; V121-V125 HydrophobicContact CG1-CG1 4.23Å; V121-H126 HydrophobicContact CG1-CB 4.47Å; V121-Y227 HydrophobicContact CB-CD2 4.22Å; V121-Y227 HydrophobicContact CB-CE2 4.5Å; V121-Y227 HydrophobicContact CG1-CD2 3.37Å; V121-Y227 HydrophobicContact CG1-CE2 3.7Å; V121-Y227 HydrophobicContact CG1-CG 4.29Å; V121-Y227 HydrophobicContact CG2-CD2 3.75Å; V121-Y227 HydrophobicContact CG2-CE2 4.08Å
122D82.8Confident83.5Confident23 Ų2370.8 Ų70.812%0.12337%0.369CS..  trans-60.8134.3175.9-166.5-53.1000109.3L124 V125 H126D122-L124 PolarHBondContact O-N 3.22Å; D122-L124 VanDerWaalsContact O-N 3.1Å; D122-L124 WeakPolarHBondContact OD1-CB 3.32Å; D122-L124 PolarHBondContact OD1-N 3.21Å; D122-V125 HydrophobicContact CB-CG2 4.18Å; D122-V125 PolarHBondContact O-N 2.68Å; D122-H126 PolarHBondContact O-N 2.82Å
123P85.1Confident82.1Confident88 Ų8870.2 Ų70.257%0.57137%0.366SS*.Hα-helixtrans-52.9-30.5175.822-35.4000113.1H126 N127P123-H126 PolarHBondContact O-N 3.38Å; P123-N127 WeakPolarHBondContact O-CB 3.29Å; P123-N127 PolarHBondContact O-N 3.32Å; P123-N127 PolarHBondContact O-ND2 3.47Å; P123-N127 PolarHBondContact O-OD1 3.13Å
124L85Confident80.8Confident83 Ų8372 Ų7244%0.43538%0.383SS..Hα-helixtrans-62.9-44.9175.1-66.6176.1000111.7D122 N127 M128 L220D122-L124 PolarHBondContact O-N 3.22Å; D122-L124 VanDerWaalsContact O-N 3.1Å; D122-L124 WeakPolarHBondContact OD1-CB 3.32Å; D122-L124 PolarHBondContact OD1-N 3.21Å; L124-N127 PolarHBondContact O-N 3.01Å; L124-M128 VanDerWaalsContact O-CG 3.25Å; L124-M128 WeakPolarHBondContact O-CG 3.42Å; L124-M128 PolarHBondContact O-N 3.05Å; L124-L220 HydrophobicContact CB-CD1 3.93Å; L124-L220 HydrophobicContact CD1-CD1 4.24Å; L124-L220 HydrophobicContact CD1-CD2 4.16Å
125V84.1Confident80Confident0 Ų075.7 Ų75.70%041%0.414CS..Hα-helixtrans-68.4-39.2178179.30000110.9V121 D122 N127 M128 S129 L202 L220 E223 M224 Y227V121-V125 HydrophobicContact CG1-CB 4.16Å; V121-V125 HydrophobicContact CG1-CG1 4.23Å; D122-V125 HydrophobicContact CB-CG2 4.18Å; D122-V125 PolarHBondContact O-N 2.68Å; V125-N127 VanDerWaalsContact C-N 3.34Å; V125-N127 PolarHBondContact O-N 2.66Å; V125-M128 WeakPolarHBondContact O-CB 3.47Å; V125-M128 PolarHBondContact O-N 2.72Å; V125-S129 PolarHBondContact O-N 3.44Å; V125-S129 VanDerWaalsContact O-N 3.17Å; V125-L202 HydrophobicContact CG1-CD2 4.39Å; V125-L220 HydrophobicContact CG2-CD1 3.66Å; V125-E223 HydrophobicContact CG2-CB 4.34Å; V125-M224 HydrophobicContact CG2-CB 4.29Å; V125-Y227 HydrophobicContact CG1-CD1 4.07Å; V125-Y227 HydrophobicContact CG1-CD2 4.3Å; V125-Y227 HydrophobicContact CG1-CG 3.76Å
126H84.2Confident79.5Confident99 Ų9970.6 Ų70.646%0.45840%0.398SS..Hα-helixtrans-60.5-44.6174.7-178-86.5000111.4V121 D122 P123 M128 S129 A130V121-H126 HydrophobicContact CG1-CB 4.47Å; D122-H126 PolarHBondContact O-N 2.82Å; P123-H126 PolarHBondContact O-N 3.38Å; H126-M128 VanDerWaalsContact C-N 3.3Å; H126-M128 PolarHBondContact O-N 3.18Å; H126-S129 PolarHBondContact O-N 3.01Å; H126-S129 VanDerWaalsContact O-N 3.12Å; H126-S129 PolarHBondContact O-OG 3.5Å; H126-A130 PolarHBondContact O-N 3.45Å
127N84.2Confident79.2Confident94 Ų9468.8 Ų68.850%0.50340%0.395SS..Hα-helixtrans-61.5-37.5175.5-68.6-17.9000112.4P123 L124 V125 S129 A130 E131P123-N127 WeakPolarHBondContact O-CB 3.29Å; P123-N127 PolarHBondContact O-N 3.32Å; P123-N127 PolarHBondContact O-ND2 3.47Å; P123-N127 PolarHBondContact O-OD1 3.13Å; L124-N127 PolarHBondContact O-N 3.01Å; V125-N127 VanDerWaalsContact C-N 3.34Å; V125-N127 PolarHBondContact O-N 2.66Å; N127-S129 VanDerWaalsContact C-N 3.25Å; N127-S129 PolarHBondContact O-N 3.37Å; N127-A130 PolarHBondContact O-N 3.47Å; N127-E131 PolarHBondContact O-N 3.15Å; N127-E131 VanDerWaalsContact O-N 3.16Å
128M82.9Confident78.9Confident25 Ų2568.1 Ų68.112%0.12339%0.39CS..Hα-helixtrans-63.3-29.7175.3-68167-171.600113.1L124 V125 H126 L202 K203 V204 L220L124-M128 VanDerWaalsContact O-CG 3.25Å; L124-M128 WeakPolarHBondContact O-CG 3.42Å; L124-M128 PolarHBondContact O-N 3.05Å; V125-M128 WeakPolarHBondContact O-CB 3.47Å; V125-M128 PolarHBondContact O-N 2.72Å; H126-M128 VanDerWaalsContact C-N 3.3Å; H126-M128 PolarHBondContact O-N 3.18Å; M128-L202 HydrophobicContact CB-CD2 4.22Å; M128-K203 WeakPolarHBondContact CB-O 3.41Å; M128-K203 WeakPolarHBondContact CG-O 3.42Å; M128-K203 PolarHBondContact O-N 3.45Å; M128-V204 HydrophobicContact CE-CG1 4.04Å; M128-V204 HydrophobicContact CG-CG2 4.35Å; M128-V204 HydrophobicContact SD-CB 4.38Å; M128-V204 HydrophobicContact SD-CG1 4.02Å; M128-V204 HydrophobicContact SD-CG2 3.69Å; M128-L220 HydrophobicContact CE-CD2 4.27Å
129S77.9Confident78.8Confident33 Ų3366.9 Ų66.923%0.23139%0.389CS..Hα-helixtrans-84-29.2174.265.80000114.1V125 H126 N127 E131 Y227V125-S129 PolarHBondContact O-N 3.44Å; V125-S129 VanDerWaalsContact O-N 3.17Å; H126-S129 PolarHBondContact O-N 3.01Å; H126-S129 VanDerWaalsContact O-N 3.12Å; H126-S129 PolarHBondContact O-OG 3.5Å; N127-S129 VanDerWaalsContact C-N 3.25Å; N127-S129 PolarHBondContact O-N 3.37Å; S129-E131 VanDerWaalsContact C-N 3.32Å; S129-Y227 PolarHBondContact OG-OH 3.27Å
130A70.1Confident78.9Confident57 Ų5762.8 Ų62.847%0.47138%0.379SS..Hα-helixtrans-81.2-12.8-17900000113H126 N127 D132H126-A130 PolarHBondContact O-N 3.45Å; N127-A130 PolarHBondContact O-N 3.47Å; A130-D132 VanDerWaalsContact C-N 3.29Å; A130-D132 PolarHBondContact O-N 3.1Å
131E69.5Low79.1Confident94 Ų9458.6 Ų58.644%0.43936%0.361SS..SBendtrans-68.489.8166.9-78.6-166.4-168.700109.8N127 S129 K203N127-E131 PolarHBondContact O-N 3.15Å; N127-E131 VanDerWaalsContact O-N 3.16Å; S129-E131 VanDerWaalsContact C-N 3.32Å; E131-K203 IonicContact OE2-NZ 3.31Å; E131-K203 PolarHBondContact OE2-NZ 3.21Å
132D66.5Low79.2Confident137 Ų13756.6 Ų56.673%0.73335%0.352SS*.  trans-49.4132.3173.9-75.3-38.4000110A130 G134A130-D132 VanDerWaalsContact C-N 3.29Å; A130-D132 PolarHBondContact O-N 3.1Å; D132-G134 PolarHBondContact O-N 2.99Å
133P62.6Low79.3Confident27 Ų2757.1 Ų57.118%0.17536%0.362CS..  trans-61.3-2.4-178.219.1-28.8000114.5R191 A194 F201P133-R191 HydrophobicContact CB-CG 4.48Å; P133-R191 WeakPolarHBondContact O-CB 3.38Å; P133-R191 WeakPolarHBondContact O-CD 3.43Å; P133-R191 WeakPolarHBondContact O-CG 3.32Å; P133-A194 HydrophobicContact CB-CB 3.89Å; P133-A194 HydrophobicContact CG-CB 4.08Å; P133-F201 HydrophobicContact CB-CD1 3.96Å; P133-F201 HydrophobicContact CB-CE1 4.24Å; P133-F201 HydrophobicContact CG-CD1 4.42Å
134G65.8Low79.4Confident36 Ų3653.8 Ų53.837%0.37134%0.339SS..  trans74.9147.1-169.300000110D132 V136D132-G134 PolarHBondContact O-N 2.99Å; G134-V136 PolarHBondContact O-N 3.31Å
135S73.5Confident79.6Confident123 Ų12353.4 Ų53.486%0.8635%0.348SS*.SBendtrans-76.161.4177.949.10000111.5
136V81.7Confident79.9Confident28 Ų2857.7 Ų57.717%0.1737%0.371CS..  trans-97110.8-178.5-176.10000108.3G134 S140 L188 A192 S195G134-V136 PolarHBondContact O-N 3.31Å; V136-S140 WeakPolarHBondContact CG1-OG 3.27Å; V136-L188 HydrophobicContact CG1-CD1 3.8Å; V136-L188 HydrophobicContact CG1-CG 4.29Å; V136-L188 HydrophobicContact CG2-CD1 4.41Å; V136-A192 HydrophobicContact CG1-CB 4.18Å; V136-A192 WeakPolarHBondContact O-CA 3.45Å; V136-S195 WeakPolarHBondContact O-CB 3.27Å
137S84.7Confident80.2Confident55 Ų5554.6 Ų54.639%0.38536%0.357SS..  trans-85.9160.3175.168.10000111.6A139 S140S137-A139 PolarHBondContact O-N 3.4Å; S137-A139 VanDerWaalsContact O-N 3.1Å; S137-S140 WeakPolarHBondContact O-CB 3.49Å; S137-S140 PolarHBondContact O-N 2.89Å; S137-S140 PolarHBondContact O-OG 2.81Å
138Y85.5Confident80.5Confident35 Ų3550.9 Ų50.914%0.13734%0.337CS..G310 helixtrans-55.9-27.5173.4-68-57.5000113.4S140 V141 I148 R152 A192 V193 Q196Y138-S140 PolarHBondContact O-N 3.48Å; Y138-V141 PolarHBondContact O-N 3.36Å; Y138-V141 VanDerWaalsContact O-N 3.09Å; Y138-I148 HydrophobicContact CD1-CG2 3.82Å; Y138-I148 HydrophobicContact CE1-CG2 3.86Å; Y138-R152 VanDerWaalsContact CE2-NH2 3.31Å; Y138-A192 HydrophobicContact CD1-CB 4.15Å; Y138-A192 HydrophobicContact CE1-CB 4.36Å; Y138-V193 HydrophobicContact CE1-CG2 3.88Å; Y138-Q196 HydrophobicContact CD2-CB 4.38Å; Y138-Q196 HydrophobicContact CD2-CG 4.16Å; Y138-Q196 HydrophobicContact CE2-CB 3.72Å; Y138-Q196 HydrophobicContact CE2-CG 3.59Å
139A84.8Confident80.9Confident82 Ų8256.1 Ų56.168%0.67836%0.355SS*.G310 helixtrans-65.7-19.3177.900000113.3S137S137-A139 PolarHBondContact O-N 3.4Å; S137-A139 VanDerWaalsContact O-N 3.1Å
140S83.3Confident81.6Confident39 Ų3958.7 Ų58.727%0.27336%0.364SS..G310 helixtrans-83.6-10.3175.670.70000113.7V136 S137 Y138V136-S140 WeakPolarHBondContact CG1-OG 3.27Å; S137-S140 WeakPolarHBondContact O-CB 3.49Å; S137-S140 PolarHBondContact O-N 2.89Å; S137-S140 PolarHBondContact O-OG 2.81Å; Y138-S140 PolarHBondContact O-N 3.48Å
141V85.7Confident82.6Confident17 Ų1756 Ų5610%0.10334%0.341CS..SBendtrans-103.4106179-173.80000109Y138 L144 I148 L188 A192Y138-V141 PolarHBondContact O-N 3.36Å; Y138-V141 VanDerWaalsContact O-N 3.09Å; V141-L144 HydrophobicContact CG1-CB 4.31Å; V141-L144 HydrophobicContact CG1-CD1 3.97Å; V141-I148 HydrophobicContact CB-CD1 4.19Å; V141-I148 HydrophobicContact CG1-CD1 4.03Å; V141-L188 HydrophobicContact CG2-CD2 3.97Å; V141-L188 HydrophobicContact CG2-CG 4.12Å; V141-A192 HydrophobicContact CG2-CB 4.12Å
142G83.7Confident83.5Confident14 Ų1456.1 Ų56.114%0.14434%0.338CS..  trans-87.8147.2179.200000113.2L144G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 3.18Å
143G84.3Confident84.6Confident33 Ų3354.2 Ų54.234%0.3432%0.324SS..SBendtrans73.83.9163.800000118A314G143-A314 VanDerWaalsContact CA-CB 3.49Å
144L88.1Confident85.8Confident18 Ų1853.2 Ų53.29%0.09432%0.318CS..  trans-115.533.9-177.7-63.6175.7000112.8V141 G142 D146 Q147 I148 L189 I307V141-L144 HydrophobicContact CG1-CB 4.31Å; V141-L144 HydrophobicContact CG1-CD1 3.97Å; G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 3.18Å; L144-D146 VanDerWaalsContact C-N 3.33Å; L144-D146 PolarHBondContact O-N 3.09Å; L144-Q147 PolarHBondContact O-N 2.88Å; L144-I148 HydrophobicContact CB-CD1 4.39Å; L144-I148 HydrophobicContact CB-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.42Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.99Å; L144-L189 HydrophobicContact CB-CD1 4.5Å; L144-L189 HydrophobicContact CD1-CD1 4.13Å; L144-I307 HydrophobicContact CD1-CG2 4.13Å; L144-I307 HydrophobicContact CD2-CG2 3.85Å
145A87.8Confident86.8Confident76 Ų7651.5 Ų51.563%0.62830%0.3SS*.Hα-helixtrans-59.6-40.7-17200000113.2R149A145-R149 PolarHBondContact O-N 3Å
146D91Very high87.4Confident90 Ų9048.3 Ų48.348%0.48127%0.272SS..Hα-helixtrans-67.3-44.9178.6-71.4-46.8000111.7L144 I148 R149 E150L144-D146 VanDerWaalsContact C-N 3.33Å; L144-D146 PolarHBondContact O-N 3.09Å; D146-I148 PolarHBondContact O-N 3.23Å; D146-R149 WeakPolarHBondContact O-CB 3.35Å; D146-R149 PolarHBondContact O-N 3.12Å; D146-R149 IonicContact OD1-CZ 2.66Å; D146-R149 IonicContact OD1-NH2 2.76Å; D146-R149 PolarHBondContact OD1-NH2 3.37Å; D146-E150 PolarHBondContact O-N 2.86Å
147Q91.5Very high87.7Confident33 Ų3350.3 Ų50.315%0.15428%0.281CS..Hα-helixtrans-66.2-37.9178.6-66.676.713.800111.9L144 R149 E150 L151 L189 I305 E306 I307L144-Q147 PolarHBondContact O-N 2.88Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-E150 PolarHBondContact O-N 3.14Å; Q147-L151 WeakPolarHBondContact O-CB 3.48Å; Q147-L151 PolarHBondContact O-N 2.77Å; Q147-L189 HydrophobicContact CB-CD1 4.27Å; Q147-I305 HydrophobicContact CB-CG2 3.89Å; Q147-I305 HydrophobicContact CG-CG2 3.71Å; Q147-E306 WeakPolarHBondContact CG-O 3.32Å; Q147-E306 PolarHBondContact NE2-O 3.02Å; Q147-I307 HydrophobicContact CG-CG1 4.35Å
148I90.6Very high87.8Confident17 Ų1748.1 Ų48.19%0.08727%0.266CS..Hα-helixtrans-63.4-42174.2-68.8166.2000110.2Y138 V141 L144 D146 L151 R152 L189Y138-I148 HydrophobicContact CD1-CG2 3.82Å; Y138-I148 HydrophobicContact CE1-CG2 3.86Å; V141-I148 HydrophobicContact CB-CD1 4.19Å; V141-I148 HydrophobicContact CG1-CD1 4.03Å; L144-I148 HydrophobicContact CB-CD1 4.39Å; L144-I148 HydrophobicContact CB-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.42Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.99Å; D146-I148 PolarHBondContact O-N 3.23Å; I148-L151 PolarHBondContact O-N 3.05Å; I148-R152 VanDerWaalsContact O-CB 3.27Å; I148-R152 WeakPolarHBondContact O-CB 3.49Å; I148-R152 PolarHBondContact O-N 3.03Å; I148-L189 HydrophobicContact CG1-CD1 4.15Å; I148-L189 HydrophobicContact CG1-CG 4.34Å
149R91.1Very high87.8Confident134 Ų13447.6 Ų47.651%0.50627%0.265SS..Hα-helixtrans-61.7-49176-176.6-176.664.4-156.5-12.9111.2A145 D146 Q147 L151 R152 E153A145-R149 PolarHBondContact O-N 3Å; D146-R149 WeakPolarHBondContact O-CB 3.35Å; D146-R149 PolarHBondContact O-N 3.12Å; D146-R149 IonicContact OD1-CZ 2.66Å; D146-R149 IonicContact OD1-NH2 2.76Å; D146-R149 PolarHBondContact OD1-NH2 3.37Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 2.84Å; R149-R152 WeakPolarHBondContact O-CB 3.33Å; R149-R152 PolarHBondContact O-N 3.48Å; R149-E153 WeakPolarHBondContact O-CG 3.31Å; R149-E153 PolarHBondContact O-N 3.29Å
150E91.6Very high87.8Confident87 Ų8750 Ų5041%0.40726%0.264SS..Hα-helixtrans-60.1-43.8178.6-73.3-174.2-172.600112.1D146 Q147 R152 E153 V154 I305D146-E150 PolarHBondContact O-N 2.86Å; Q147-E150 PolarHBondContact O-N 3.14Å; E150-R152 VanDerWaalsContact C-N 3.32Å; E150-R152 PolarHBondContact O-N 3.03Å; E150-E153 PolarHBondContact O-N 3.27Å; E150-V154 WeakPolarHBondContact O-CG2 3.47Å; E150-V154 PolarHBondContact O-N 2.96Å; E150-I305 HydrophobicContact CB-CD1 4.02Å; E150-I305 HydrophobicContact CB-CG1 4.47Å
151L90.8Very high87.9Confident0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-66.7-36.9178.2-168.964.3000111.9Q147 I148 R149 V154 I155 C176 L178 L189 V193 I305Q147-L151 WeakPolarHBondContact O-CB 3.48Å; Q147-L151 PolarHBondContact O-N 2.77Å; I148-L151 PolarHBondContact O-N 3.05Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 2.84Å; L151-V154 PolarHBondContact O-N 3.46Å; L151-I155 HydrophobicContact CD1-CD1 3.53Å; L151-I155 HydrophobicContact CD1-CG1 4.1Å; L151-I155 HydrophobicContact CD2-CD1 4.27Å; L151-I155 HydrophobicContact CG-CD1 3.74Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3Å; L151-C176 HydrophobicContact CD1-CB 4.14Å; L151-C176 WeakPolarHBondContact CD1-SG 3.36Å; L151-L178 HydrophobicContact CD1-CD2 4.49Å; L151-L189 HydrophobicContact CB-CD2 4.32Å; L151-L189 HydrophobicContact CD2-CD2 3.05Å; L151-L189 HydrophobicContact CG-CD2 4.27Å; L151-V193 HydrophobicContact CD2-CB 4.45Å; L151-V193 HydrophobicContact CD2-CG2 3.56Å; L151-V193 HydrophobicContact CG-CG2 4.16Å; L151-I305 HydrophobicContact CB-CD1 4.05Å; L151-I305 HydrophobicContact CD1-CD1 4.07Å
152R89.3Confident87.8Confident97 Ų9753.8 Ų53.837%0.36628%0.283SS..Hα-helixtrans-60.6-43.8174.6-172.7175.8-62.7158.63.6111.9Y138 I148 R149 E150 V154 I155 E156 L157Y138-R152 VanDerWaalsContact CE2-NH2 3.31Å; I148-R152 VanDerWaalsContact O-CB 3.27Å; I148-R152 WeakPolarHBondContact O-CB 3.49Å; I148-R152 PolarHBondContact O-N 3.03Å; R149-R152 WeakPolarHBondContact O-CB 3.33Å; R149-R152 PolarHBondContact O-N 3.48Å; E150-R152 VanDerWaalsContact C-N 3.32Å; E150-R152 PolarHBondContact O-N 3.03Å; R152-V154 PolarHBondContact O-N 2.68Å; R152-I155 PolarHBondContact O-N 3.45Å; R152-E156 VanDerWaalsContact CD-OE2 3.23Å; R152-E156 WeakPolarHBondContact CD-OE2 3.42Å; R152-E156 HydrophobicContact CG-CB 3.67Å; R152-E156 HydrophobicContact CG-CG 4.19Å; R152-E156 WeakPolarHBondContact CG-OE2 3.28Å; R152-E156 IonicContact NE-OE2 3.07Å; R152-E156 PolarHBondContact NE-OE2 2.84Å; R152-E156 WeakPolarHBondContact O-CA 3.36Å; R152-E156 VanDerWaalsContact O-CB 3.3Å; R152-E156 WeakPolarHBondContact O-CB 3.44Å; R152-E156 PolarHBondContact O-N 3.05Å; R152-L157 PolarHBondContact O-N 3.29Å
153E88.5Confident88.1Confident97 Ų9760.3 Ų60.345%0.45331%0.31SS..Hα-helixtrans-62.9-29.1177.5-72.5174.9-164.900113R149 E150 L157 P158R149-E153 WeakPolarHBondContact O-CG 3.31Å; R149-E153 PolarHBondContact O-N 3.29Å; E150-E153 PolarHBondContact O-N 3.27Å; E153-L157 WeakPolarHBondContact O-CB 3.46Å; E153-P158 WeakPolarHBondContact O-CD 3.33Å
154V88Confident88.3Confident6 Ų662.3 Ų62.34%0.03631%0.312CS..Hα-helixtrans-84-33.4-179.2174.30000112.5E150 L151 R152 P158 P173 C176 R303E150-V154 WeakPolarHBondContact O-CG2 3.47Å; E150-V154 PolarHBondContact O-N 2.96Å; L151-V154 PolarHBondContact O-N 3.46Å; R152-V154 PolarHBondContact O-N 2.68Å; V154-P158 WeakPolarHBondContact O-CD 3.49Å; V154-P158 VanDerWaalsContact O-CG 3.26Å; V154-P158 WeakPolarHBondContact O-CG 3.23Å; V154-P173 HydrophobicContact CB-CG 4.33Å; V154-P173 HydrophobicContact CG1-CB 4.29Å; V154-P173 HydrophobicContact CG1-CG 3.91Å; V154-P173 HydrophobicContact CG2-CG 4.21Å; V154-C176 HydrophobicContact CG1-CB 4.2Å; V154-R303 HydrophobicContact CG2-CB 4.12Å; V154-R303 HydrophobicContact CG2-CG 3.63Å
155I87.2Confident88.3Confident1 Ų162.3 Ų62.31%0.00531%0.312CS..Hα-helixtrans-107.8-58.3-170.8-57-177.5000111.3L151 R152 P158 L159 V193 L197 I235 I282L151-I155 HydrophobicContact CD1-CD1 3.53Å; L151-I155 HydrophobicContact CD1-CG1 4.1Å; L151-I155 HydrophobicContact CD2-CD1 4.27Å; L151-I155 HydrophobicContact CG-CD1 3.74Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3Å; R152-I155 PolarHBondContact O-N 3.45Å; I155-P158 WeakPolarHBondContact O-CD 3.34Å; I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 WeakPolarHBondContact O-CD1 3.45Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 3.48Å; I155-V193 HydrophobicContact CB-CG1 4.46Å; I155-V193 HydrophobicContact CD1-CG1 4.14Å; I155-V193 HydrophobicContact CG2-CG1 4.15Å; I155-L197 HydrophobicContact CG2-CD1 3.62Å; I155-I235 HydrophobicContact CG2-CD1 3.57Å; I155-I235 HydrophobicContact CG2-CG1 4.15Å; I155-I282 HydrophobicContact CD1-CD1 3.31Å; I155-I282 HydrophobicContact CD1-CG1 3.6Å
156E87.3Confident88.2Confident56 Ų5666 Ų6626%0.26232%0.316SS..Hα-helixtrans-69-45.4-174.7-175.7172.4151.900111.1R152 L159 M160 L197R152-E156 VanDerWaalsContact CD-OE2 3.23Å; R152-E156 WeakPolarHBondContact CD-OE2 3.42Å; R152-E156 HydrophobicContact CG-CB 3.67Å; R152-E156 HydrophobicContact CG-CG 4.19Å; R152-E156 WeakPolarHBondContact CG-OE2 3.28Å; R152-E156 IonicContact NE-OE2 3.07Å; R152-E156 PolarHBondContact NE-OE2 2.84Å; R152-E156 WeakPolarHBondContact O-CA 3.36Å; R152-E156 VanDerWaalsContact O-CB 3.3Å; R152-E156 WeakPolarHBondContact O-CB 3.44Å; R152-E156 PolarHBondContact O-N 3.05Å; E156-L159 PolarHBondContact O-N 3.14Å; E156-M160 HydrophobicContact CG-CG 4.1Å; E156-M160 WeakPolarHBondContact O-CB 3.21Å; E156-M160 WeakPolarHBondContact O-CG 3.48Å; E156-M160 PolarHBondContact O-N 2.91Å; E156-L197 HydrophobicContact CB-CD2 3.83Å; E156-L197 HydrophobicContact CG-CD2 3.54Å
157L87.1Confident88.2Confident69 Ų6971.7 Ų71.736%0.36133%0.33SS..Hα-helixtrans-63-45.3-174.7-172.470.4000113.1R152 E153 L159 N161 L164 F165R152-L157 PolarHBondContact O-N 3.29Å; E153-L157 WeakPolarHBondContact O-CB 3.46Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.33Å; L157-N161 PolarHBondContact O-N 2.92Å; L157-L164 HydrophobicContact CD1-CD1 4.27Å; L157-F165 HydrophobicContact CD2-CE2 4.28Å; L157-F165 HydrophobicContact CD2-CZ 4.07Å; L157-F165 HydrophobicContact CG-CE2 4.03Å; L157-F165 HydrophobicContact CG-CZ 4.25Å
158P86.3Confident88.3Confident10 Ų1075.1 Ų75.17%0.06535%0.353CS..Hα-helixtrans-70.5-27.1176.3-20.534.1000114.3E153 V154 I155 F165 P172E153-P158 WeakPolarHBondContact O-CD 3.33Å; V154-P158 WeakPolarHBondContact O-CD 3.49Å; V154-P158 VanDerWaalsContact O-CG 3.26Å; V154-P158 WeakPolarHBondContact O-CG 3.23Å; I155-P158 WeakPolarHBondContact O-CD 3.34Å; P158-F165 HydrophobicContact CB-CD2 4.44Å; P158-F165 HydrophobicContact CB-CE2 3.9Å; P158-F165 HydrophobicContact CB-CZ 4.26Å; P158-F165 HydrophobicContact CG-CE1 4.45Å; P158-F165 HydrophobicContact CG-CE2 3.73Å; P158-F165 HydrophobicContact CG-CZ 3.63Å; P158-P172 HydrophobicContact CB-CB 3.83Å; P158-P172 HydrophobicContact CG-CB 4.01Å
159L84.8Confident88.3Confident24 Ų2477.4 Ų77.413%0.12638%0.382CS..Hα-helixtrans-76.4-42.4179.3-72175.1000111.4I155 E156 L157 L197 P233 Q278 K280I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 WeakPolarHBondContact O-CD1 3.45Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 3.48Å; E156-L159 PolarHBondContact O-N 3.14Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.33Å; L159-L197 HydrophobicContact CD1-CD1 4.39Å; L159-P233 HydrophobicContact CD2-CB 3.8Å; L159-Q278 HydrophobicContact CD2-CB 3.83Å; L159-Q278 HydrophobicContact CD2-CG 4.41Å; L159-K280 HydrophobicContact CG-CG 4.49Å
160M85Confident88.2Confident132 Ų13275.6 Ų75.665%0.6538%0.381SS*.Hα-helixtrans-78.7-43.8-178.5-64.7-61.8-75.500112.4E156E156-M160 HydrophobicContact CG-CG 4.1Å; E156-M160 WeakPolarHBondContact O-CB 3.21Å; E156-M160 WeakPolarHBondContact O-CG 3.48Å; E156-M160 PolarHBondContact O-N 2.91Å
161N86.2Confident87.8Confident84 Ų8477.7 Ų77.745%0.44940%0.4SS..  trans-131.468.2-171.4-68.7-26.1000112.6L157 E163 L164L157-N161 PolarHBondContact O-N 2.92Å; N161-E163 PolarHBondContact O-N 3.38Å; N161-L164 HydrophobicContact CB-CD1 3.71Å; N161-L164 HydrophobicContact CB-CG 4.04Å; N161-L164 PolarHBondContact O-N 2.82Å
162P84.5Confident87.5Confident52 Ų5280 Ų8034%0.33842%0.415SS..Hα-helixtrans-61.9-27.1177.925.5-34.5000112.7L164 F165 H166P162-L164 VanDerWaalsContact C-N 3.26Å; P162-L164 PolarHBondContact O-N 2.89Å; P162-F165 PolarHBondContact O-N 3.12Å; P162-H166 PolarHBondContact O-N 3.12Å; P162-H166 PolarHBondContact O-ND1 2.74Å
163E88.3Confident87.4Confident150 Ų15076.4 Ų76.470%0.70140%0.404SS*.Hα-helixtrans-61.2-31.8-180-60.7-173.2-179.800113.3N161 F165 H166 R167N161-E163 PolarHBondContact O-N 3.38Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.11Å; E163-H166 PolarHBondContact O-N 3.4Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 2.92Å
164L90.3Very high87.1Confident75 Ų7575 Ų7539%0.39340%0.397SS..Hα-helixtrans-62.1-40.8177.7-68.8174.9000111.2L157 N161 P162 R167 V168L157-L164 HydrophobicContact CD1-CD1 4.27Å; N161-L164 HydrophobicContact CB-CD1 3.71Å; N161-L164 HydrophobicContact CB-CG 4.04Å; N161-L164 PolarHBondContact O-N 2.82Å; P162-L164 VanDerWaalsContact C-N 3.26Å; P162-L164 PolarHBondContact O-N 2.89Å; L164-R167 PolarHBondContact O-N 3.5Å; L164-V168 VanDerWaalsContact O-CG2 3.31Å; L164-V168 WeakPolarHBondContact O-CG2 3.04Å; L164-V168 PolarHBondContact O-N 3.35Å
165F87.3Confident87.1Confident19 Ų1974.8 Ų74.88%0.08340%0.395CS..Hα-helixtrans-65.1-40.5176.6-70-89.3000111.6L157 P158 P162 E163 V168 G169 I170 P172L157-F165 HydrophobicContact CD2-CE2 4.28Å; L157-F165 HydrophobicContact CD2-CZ 4.07Å; L157-F165 HydrophobicContact CG-CE2 4.03Å; L157-F165 HydrophobicContact CG-CZ 4.25Å; P158-F165 HydrophobicContact CB-CD2 4.44Å; P158-F165 HydrophobicContact CB-CE2 3.9Å; P158-F165 HydrophobicContact CB-CZ 4.26Å; P158-F165 HydrophobicContact CG-CE1 4.45Å; P158-F165 HydrophobicContact CG-CE2 3.73Å; P158-F165 HydrophobicContact CG-CZ 3.63Å; P162-F165 PolarHBondContact O-N 3.12Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.11Å; F165-V168 PolarHBondContact O-N 2.64Å; F165-G169 PolarHBondContact O-N 2.98Å; F165-I170 HydrophobicContact CD1-CD1 3.82Å; F165-I170 HydrophobicContact CD1-CG1 3.88Å; F165-I170 HydrophobicContact CE1-CD1 4.08Å; F165-I170 PolarHBondContact O-N 3.09Å; F165-I170 VanDerWaalsContact O-N 3.11Å; F165-P172 HydrophobicContact CD1-CB 3.79Å; F165-P172 HydrophobicContact CD2-CB 4.48Å; F165-P172 HydrophobicContact CE1-CB 3.96Å; F165-P172 HydrophobicContact CG-CB 4.09Å; F165-P172 HydrophobicContact CZ-CB 4.38Å
166H86.1Confident87.3Confident152 Ų15274.8 Ų74.870%0.70440%0.395SS*.Hα-helixtrans-66.2-40.1177-68.380.7000112.4P162 E163 G169P162-H166 PolarHBondContact O-N 3.12Å; P162-H166 PolarHBondContact O-ND1 2.74Å; E163-H166 PolarHBondContact O-N 3.4Å; H166-G169 PolarHBondContact O-N 3.1Å
167R91.7Very high87.5Confident210 Ų21072.1 Ų72.179%0.79238%0.383SS*.Hα-helixtrans-67.8-37.7177.9-73.8178.364.2-176.8-0.7113.1E163 L164 G169E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 2.92Å; L164-R167 PolarHBondContact O-N 3.5Å; R167-G169 VanDerWaalsContact C-N 3.32Å
168V93.3Very high87.8Confident105 Ų10568.9 Ų68.964%0.63637%0.366SS*.Hα-helixtrans-76.8-23.8176.1177.70000111.1L164 F165 I170L164-V168 VanDerWaalsContact O-CG2 3.31Å; L164-V168 WeakPolarHBondContact O-CG2 3.04Å; L164-V168 PolarHBondContact O-N 3.35Å; F165-V168 PolarHBondContact O-N 2.64Å; V168-I170 HydrophobicContact CB-CG1 4.03Å; V168-I170 HydrophobicContact CG1-CD1 4.11Å; V168-I170 HydrophobicContact CG1-CG1 3.82Å; V168-I170 HydrophobicContact CG1-CG2 4.03Å
169G89.2Confident88.1Confident66 Ų6669.9 Ų69.968%0.6837%0.368SS*.THydrogen-bonded Turntrans80.824-178.700000113.4F165 H166 R167F165-G169 PolarHBondContact O-N 2.98Å; H166-G169 PolarHBondContact O-N 3.1Å; R167-G169 VanDerWaalsContact C-N 3.32Å
170I88.7Confident88.3Confident95 Ų9569 Ų6949%0.48737%0.365SS..  trans-107.7142.4177.654.5165.7000110.5F165 V168F165-I170 HydrophobicContact CD1-CD1 3.82Å; F165-I170 HydrophobicContact CD1-CG1 3.88Å; F165-I170 HydrophobicContact CE1-CD1 4.08Å; F165-I170 PolarHBondContact O-N 3.09Å; F165-I170 VanDerWaalsContact O-N 3.11Å; V168-I170 HydrophobicContact CB-CG1 4.03Å; V168-I170 HydrophobicContact CG1-CD1 4.11Å; V168-I170 HydrophobicContact CG1-CG1 3.82Å; V168-I170 HydrophobicContact CG1-CG2 4.03Å
171T83.8Confident88.4Confident131 Ų13163.8 Ų63.880%0.80434%0.341SS*.PPolyproline II helixtrans-77.5131.2170.849.70000109.6
172P85.5Confident88.4Confident49 Ų4962.6 Ų62.632%0.31834%0.338SS..PPolyproline II helixtrans-62.9144.7176.627.2-34.1000110.3P158 F165P158-P172 HydrophobicContact CB-CB 3.83Å; P158-P172 HydrophobicContact CG-CB 4.01Å; F165-P172 HydrophobicContact CD1-CB 3.79Å; F165-P172 HydrophobicContact CD2-CB 4.48Å; F165-P172 HydrophobicContact CE1-CB 3.96Å; F165-P172 HydrophobicContact CG-CB 4.09Å; F165-P172 HydrophobicContact CZ-CB 4.38Å
173P85.7Confident88.5Confident22 Ų2261.8 Ų61.814%0.14334%0.34CS..PPolyproline II helixtrans-59.4140.1177.124.8-34000110.8V154 K280 D302 R303V154-P173 HydrophobicContact CB-CG 4.33Å; V154-P173 HydrophobicContact CG1-CB 4.29Å; V154-P173 HydrophobicContact CG1-CG 3.91Å; V154-P173 HydrophobicContact CG2-CG 4.21Å; P173-K280 PolarHBondContact O-NZ 3.22Å; P173-D302 WeakPolarHBondContact CA-OD2 3.25Å; P173-D302 HydrophobicContact CB-CB 3.92Å; P173-R303 HydrophobicContact CB-CG 4.42Å
174K83.2Confident88.4Confident68 Ų6855.3 Ų55.330%0.29631%0.31SS..  trans-82.4-40-177.1-69.2-172.9-178.71790112.6M270 L276 M281 G299 D302K174-M270 PolarHBondContact NZ-O 2.99Å; K174-L276 HydrophobicContact CD-CD1 3.94Å; K174-M281 PolarHBondContact O-N 3.14Å; K174-G299 WeakPolarHBondContact CD-O 3.42Å; K174-D302 PolarHBondContact N-OD2 3.5Å
175G87.5Confident88.2Confident1 Ų152.7 Ų52.71%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-151.7161.9-176.500000114.1M281 D302 R303G175-M281 CarbonylContact C-O 3.55Å; G175-M281 WeakPolarHBondContact CA-O 3.44Å; G175-D302 PolarHBondContact O-N 3.32Å; G175-R303 PolarHBondContact O-N 3.24Å
176C91.3Very high88.3Confident0 Ų052.2 Ų52.20%030%0.299CS..EExtended strand (participates in β ladder)trans-125.8146.2176.958.40000111L151 V154 M281 I282 M283 R303L151-C176 HydrophobicContact CD1-CB 4.14Å; L151-C176 WeakPolarHBondContact CD1-SG 3.36Å; V154-C176 HydrophobicContact CG1-CB 4.2Å; C176-M281 PolarHBondContact N-O 3.29Å; C176-I282 WeakPolarHBondContact O-CA 3.38Å; C176-M283 PolarHBondContact O-N 2.82Å; C176-R303 CarbonylContact C-O 3.53Å; C176-R303 VanDerWaalsContact CA-O 3.28Å; C176-R303 WeakPolarHBondContact CA-O 3.45Å; C176-R303 HydrophobicContact CB-CB 4.23Å
177L92.6Very high88.3Confident0 Ų047 Ų470%028%0.278CS..EExtended strand (participates in β ladder)trans-112.9117.9174.4179.367.8000108.9I241 M283 T285 L291 L296 L301 R303 K304 I305L177-I241 HydrophobicContact CD1-CG2 4.49Å; L177-M283 CarbonylContact C-O 3.58Å; L177-M283 WeakPolarHBondContact CA-O 3.22Å; L177-M283 HydrophobicContact CD1-CB 3.85Å; L177-T285 HydrophobicContact CD1-CG2 3.97Å; L177-L291 HydrophobicContact CD1-CD1 4.26Å; L177-L291 HydrophobicContact CD2-CD1 4.2Å; L177-L296 HydrophobicContact CD2-CD2 3.49Å; L177-L296 VanDerWaalsContact CD2-CD2 3.49Å; L177-L301 HydrophobicContact CB-CD1 4.27Å; L177-L301 HydrophobicContact CD1-CD1 4.44Å; L177-R303 PolarHBondContact N-O 2.82Å; L177-K304 CarbonylContact O-C 3.6Å; L177-K304 WeakPolarHBondContact O-CA 3.29Å; L177-I305 PolarHBondContact O-N 3.06Å
178L93.5Very high88.1Confident1 Ų140.2 Ų40.21%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-92.6118.1171-55-177.6000108.7L151 K186 L189 I282 M283 A284 T285 I305 I307L151-L178 HydrophobicContact CD1-CD2 4.49Å; L178-K186 HydrophobicContact CB-CB 4.37Å; L178-K186 HydrophobicContact CB-CD 4.47Å; L178-K186 HydrophobicContact CD1-CB 4.49Å; L178-L189 HydrophobicContact CD1-CD2 4.39Å; L178-I282 HydrophobicContact CD1-CG2 3.76Å; L178-I282 HydrophobicContact CG-CG2 3.98Å; L178-M283 PolarHBondContact N-O 2.66Å; L178-A284 HydrophobicContact CB-CB 4.45Å; L178-A284 WeakPolarHBondContact O-CA 3.49Å; L178-T285 PolarHBondContact O-N 3.24Å; L178-I305 HydrophobicContact CD2-CB 3.87Å; L178-I305 HydrophobicContact CD2-CD1 4.05Å; L178-I305 HydrophobicContact CD2-CG1 4.41Å; L178-I305 HydrophobicContact CD2-CG2 4.3Å; L178-I307 HydrophobicContact CB-CD1 4.18Å; L178-I307 HydrophobicContact CD2-CD1 4.39Å
179Y92.5Very high88Confident31 Ų3135.3 Ų35.312%0.12223%0.228CC..EExtended strand (participates in β ladder)trans-132.2159178.470.8-82.5000112T285 P288 K304 I305 E306 I307Y179-T285 WeakPolarHBondContact CA-O 3.47Å; Y179-P288 HydrophobicContact CD2-CB 4.44Å; Y179-P288 HydrophobicContact CD2-CG 3.95Å; Y179-P288 HydrophobicContact CG-CB 4.39Å; Y179-P288 HydrophobicContact CG-CG 4.34Å; Y179-K304 HydrophobicContact CD1-CB 4.46Å; Y179-K304 HydrophobicContact CE1-CB 3.85Å; Y179-I305 WeakPolarHBondContact CD1-O 3.28Å; Y179-I305 PolarHBondContact N-O 3.41Å; Y179-E306 HydrophobicContact CD2-CG 4.28Å; Y179-E306 HydrophobicContact CE1-CB 4.06Å; Y179-E306 HydrophobicContact CE2-CB 3.84Å; Y179-E306 HydrophobicContact CE2-CG 3.69Å; Y179-I307 PolarHBondContact O-N 3.46Å
180G88.9Confident87.8Confident5 Ų532.2 Ų32.25%0.05220%0.195CC..SBendtrans151.3-170.8-177.100000113.4K186G180-K186 VanDerWaalsContact C-NZ 3.28Å; G180-K186 VanDerWaalsContact N-CE 3.31Å; G180-K186 VanDerWaalsContact N-NZ 3.17Å; G180-K186 WeakPolarHBondContact O-CE 3.28Å; G180-K186 PolarHBondContact O-NZ 2.93Å
181P87Confident87.7Confident23 Ų2331.4 Ų31.415%0.14919%0.186CC..SBendtrans-65.9158.2174.5-21.233.9000113T184 I307 L309 Y392P181-T184 HydrophobicContact CB-CG2 4.08Å; P181-T184 HydrophobicContact CG-CG2 4.35Å; P181-T184 PolarHBondContact O-OG1 3.29Å; P181-T184 VanDerWaalsContact O-OG1 3.13Å; P181-I307 WeakPolarHBondContact CD-O 3.4Å; P181-L309 HydrophobicContact CB-CD2 4.25Å; P181-L309 HydrophobicContact CG-CD2 4.12Å; P181-L309 HydrophobicContact CG-CG 4.18Å; P181-Y392 HydrophobicContact CB-CE2 3.92Å; P181-Y392 HydrophobicContact CG-CD2 4.17Å; P181-Y392 HydrophobicContact CG-CE2 3.99Å
182P86.6Confident87.8Confident59 Ų5925.1 Ų25.138%0.38315%0.148SC..THydrogen-bonded Turntrans-65.6150.1170.929.5-35.9000110.7T184 Y392P182-T184 VanDerWaalsContact C-N 3.32Å; P182-T184 PolarHBondContact O-N 3.41Å; P182-Y392 VanDerWaalsContact CD-OH 3.29Å; P182-Y392 WeakPolarHBondContact CD-OH 3.2Å
183G85.1Confident87.9Confident36 Ų3622.8 Ų22.837%0.37113%0.133SC..THydrogen-bonded Turntrans77.68.1175.900000115.6G185 G346 A347G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G346 WeakPolarHBondContact O-CA 3.5Å; G183-G346 PolarHBondContact O-N 2.84Å; G183-G346 VanDerWaalsContact O-N 3.09Å; G183-A347 PolarHBondContact O-N 2.98Å; G183-A347 VanDerWaalsContact O-N 3.16Å
184T86.6Confident87.8Confident13 Ų1321.9 Ų21.98%0.0813%0.127CC..SBendtrans-85.5-3.1174.9600000114.2P181 P182 I307 L309P181-T184 HydrophobicContact CB-CG2 4.08Å; P181-T184 HydrophobicContact CG-CG2 4.35Å; P181-T184 PolarHBondContact O-OG1 3.29Å; P181-T184 VanDerWaalsContact O-OG1 3.13Å; P182-T184 VanDerWaalsContact C-N 3.32Å; P182-T184 PolarHBondContact O-N 3.41Å; T184-I307 WeakPolarHBondContact OG1-CG2 3.22Å; T184-L309 HydrophobicContact CG2-CD2 4.28Å
185G86.3Confident87.9Confident21 Ų2120.3 Ų20.322%0.21612%0.124CC..SBendtrans96.123.5172.100000115.9G183 T187 L188 L189G183-G185 VanDerWaalsContact C-N 3.34Å; G185-T187 PolarHBondContact O-N 3.4Å; G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 3.4Å; G185-L188 VanDerWaalsContact O-N 3.11Å; G185-L189 WeakPolarHBondContact O-CB 3.4Å; G185-L189 PolarHBondContact O-N 3.32Å
186K88.7Confident87.8Confident8 Ų825.2 Ų25.24%0.03515%0.147CC..Hα-helixtrans-55.4-49.1178.3-42.2-170-173.4145.80113.1L178 G180 L188 L189 A190 A284 T285 N286 I307L178-K186 HydrophobicContact CB-CB 4.37Å; L178-K186 HydrophobicContact CB-CD 4.47Å; L178-K186 HydrophobicContact CD1-CB 4.49Å; G180-K186 VanDerWaalsContact C-NZ 3.28Å; G180-K186 VanDerWaalsContact N-CE 3.31Å; G180-K186 VanDerWaalsContact N-NZ 3.17Å; G180-K186 WeakPolarHBondContact O-CE 3.28Å; G180-K186 PolarHBondContact O-NZ 2.93Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.23Å; K186-L189 PolarHBondContact O-N 3.45Å; K186-A190 PolarHBondContact O-N 2.79Å; K186-A190 VanDerWaalsContact O-N 3.12Å; K186-A284 HydrophobicContact CB-CB 4.27Å; K186-T285 PolarHBondContact NZ-O 3.36Å; K186-N286 PolarHBondContact NZ-OD1 3.24Å; K186-I307 HydrophobicContact CB-CD1 4.06Å; K186-I307 HydrophobicContact CD-CD1 4.47Å; K186-I307 HydrophobicContact CG-CD1 3.73Å
187T86.4Confident87.4Confident43 Ų4326.7 Ų26.726%0.26416%0.155SC..Hα-helixtrans-65.8-36.1176.3-43.40000111.8G185 R191 F237 D239G185-T187 PolarHBondContact O-N 3.4Å; T187-R191 WeakPolarHBondContact O-CB 3.42Å; T187-R191 WeakPolarHBondContact O-CG 3.48Å; T187-R191 PolarHBondContact O-N 2.9Å; T187-R191 VanDerWaalsContact O-N 3.12Å; T187-F237 HydrophobicContact CG2-CE1 3.94Å; T187-F237 HydrophobicContact CG2-CZ 4.21Å; T187-D239 VanDerWaalsContact CG2-OD2 3.32Å; T187-D239 WeakPolarHBondContact CG2-OD2 3.41Å; T187-D239 PolarHBondContact OG1-OD2 3.31Å
188L88.4Confident87Confident68 Ų6834 Ų3436%0.35619%0.194SC..Hα-helixtrans-66.6-42177.3-171.773.9000111.1V136 V141 G185 K186 R191 A192V136-L188 HydrophobicContact CG1-CD1 3.8Å; V136-L188 HydrophobicContact CG1-CG 4.29Å; V136-L188 HydrophobicContact CG2-CD1 4.41Å; V141-L188 HydrophobicContact CG2-CD2 3.97Å; V141-L188 HydrophobicContact CG2-CG 4.12Å; G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 3.4Å; G185-L188 VanDerWaalsContact O-N 3.11Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.23Å; L188-R191 PolarHBondContact O-N 3.39Å; L188-A192 WeakPolarHBondContact O-CB 3.29Å; L188-A192 PolarHBondContact O-N 2.94Å
189L89.6Confident86.5Confident2 Ų235.1 Ų35.11%0.0120%0.201CC..Hα-helixtrans-65.1-44.5180-168.8158.3000110.7L144 Q147 I148 L151 L178 G185 K186 R191 A192 V193 I307L144-L189 HydrophobicContact CB-CD1 4.5Å; L144-L189 HydrophobicContact CD1-CD1 4.13Å; Q147-L189 HydrophobicContact CB-CD1 4.27Å; I148-L189 HydrophobicContact CG1-CD1 4.15Å; I148-L189 HydrophobicContact CG1-CG 4.34Å; L151-L189 HydrophobicContact CB-CD2 4.32Å; L151-L189 HydrophobicContact CD2-CD2 3.05Å; L151-L189 HydrophobicContact CG-CD2 4.27Å; L178-L189 HydrophobicContact CD1-CD2 4.39Å; G185-L189 WeakPolarHBondContact O-CB 3.4Å; G185-L189 PolarHBondContact O-N 3.32Å; K186-L189 PolarHBondContact O-N 3.45Å; L189-R191 PolarHBondContact O-N 3.06Å; L189-A192 PolarHBondContact O-N 3.01Å; L189-V193 PolarHBondContact O-N 3.31Å; L189-V193 VanDerWaalsContact O-N 3.11Å; L189-I307 HydrophobicContact CD1-CD1 4.3Å
190A86.7Confident86.3Confident0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-62.1-41.417500000112.8K186 V193 A194 F237 I282K186-A190 PolarHBondContact O-N 2.79Å; K186-A190 VanDerWaalsContact O-N 3.12Å; A190-V193 PolarHBondContact O-N 2.87Å; A190-A194 PolarHBondContact O-N 2.81Å; A190-A194 VanDerWaalsContact O-N 3.09Å; A190-F237 HydrophobicContact CB-CD1 4.5Å; A190-F237 HydrophobicContact CB-CD2 3.29Å; A190-F237 HydrophobicContact CB-CE1 4.47Å; A190-F237 HydrophobicContact CB-CE2 3.27Å; A190-F237 HydrophobicContact CB-CG 3.96Å; A190-F237 HydrophobicContact CB-CZ 3.91Å; A190-I282 HydrophobicContact CB-CD1 4.32Å; A190-I282 HydrophobicContact CB-CG2 4.44Å
191R85.1Confident86.3Confident78 Ų7837.6 Ų37.629%0.29421%0.214SC..Hα-helixtrans-62.8-40.9174.6-77.8176.1168.1-166.3-12112.6P133 T187 L188 L189 V193 A194 S195P133-R191 HydrophobicContact CB-CG 4.48Å; P133-R191 WeakPolarHBondContact O-CB 3.38Å; P133-R191 WeakPolarHBondContact O-CD 3.43Å; P133-R191 WeakPolarHBondContact O-CG 3.32Å; T187-R191 WeakPolarHBondContact O-CB 3.42Å; T187-R191 WeakPolarHBondContact O-CG 3.48Å; T187-R191 PolarHBondContact O-N 2.9Å; T187-R191 VanDerWaalsContact O-N 3.12Å; L188-R191 PolarHBondContact O-N 3.39Å; L189-R191 PolarHBondContact O-N 3.06Å; R191-V193 VanDerWaalsContact C-N 3.35Å; R191-V193 PolarHBondContact O-N 3.19Å; R191-A194 PolarHBondContact O-N 3.43Å; R191-S195 WeakPolarHBondContact O-CB 3.33Å; R191-S195 PolarHBondContact O-N 2.9Å
192A87.3Confident86.4Confident0 Ų036.5 Ų36.50%021%0.207CC..Hα-helixtrans-64.3-38.7178.100000112.4V136 Y138 V141 L188 L189 Q196V136-A192 HydrophobicContact CG1-CB 4.18Å; V136-A192 WeakPolarHBondContact O-CA 3.45Å; Y138-A192 HydrophobicContact CD1-CB 4.15Å; Y138-A192 HydrophobicContact CE1-CB 4.36Å; V141-A192 HydrophobicContact CG2-CB 4.12Å; L188-A192 WeakPolarHBondContact O-CB 3.29Å; L188-A192 PolarHBondContact O-N 2.94Å; L189-A192 PolarHBondContact O-N 3.01Å; A192-Q196 PolarHBondContact O-N 2.76Å
193V86.8Confident86.6Confident0 Ų035.2 Ų35.20%020%0.196CC..Hα-helixtrans-65.3-44.4174.2174.40000111.3Y138 L151 I155 L189 A190 R191 S195 Q196 L197 I235Y138-V193 HydrophobicContact CE1-CG2 3.88Å; L151-V193 HydrophobicContact CD2-CB 4.45Å; L151-V193 HydrophobicContact CD2-CG2 3.56Å; L151-V193 HydrophobicContact CG-CG2 4.16Å; I155-V193 HydrophobicContact CB-CG1 4.46Å; I155-V193 HydrophobicContact CD1-CG1 4.14Å; I155-V193 HydrophobicContact CG2-CG1 4.15Å; L189-V193 PolarHBondContact O-N 3.31Å; L189-V193 VanDerWaalsContact O-N 3.11Å; A190-V193 PolarHBondContact O-N 2.87Å; R191-V193 VanDerWaalsContact C-N 3.35Å; R191-V193 PolarHBondContact O-N 3.19Å; V193-S195 PolarHBondContact O-N 2.92Å; V193-Q196 PolarHBondContact O-N 3.12Å; V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.39Å; V193-L197 WeakPolarHBondContact O-CG 3.39Å; V193-L197 PolarHBondContact O-N 3.23Å; V193-I235 HydrophobicContact CG1-CD1 4.48Å
194A84.5Confident86.8Confident3 Ų333.5 Ų33.53%0.02518%0.178CC..Hα-helixtrans-61.8-44.5179.100000112.3P133 A190 R191 Q196 L197 F201P133-A194 HydrophobicContact CB-CB 3.89Å; P133-A194 HydrophobicContact CG-CB 4.08Å; A190-A194 PolarHBondContact O-N 2.81Å; A190-A194 VanDerWaalsContact O-N 3.09Å; R191-A194 PolarHBondContact O-N 3.43Å; A194-Q196 VanDerWaalsContact C-N 3.28Å; A194-Q196 PolarHBondContact O-N 3.21Å; A194-L197 PolarHBondContact O-N 3.45Å; A194-F201 HydrophobicContact CB-CB 3.95Å; A194-F201 HydrophobicContact CB-CD1 4.22Å; A194-F201 HydrophobicContact CB-CD2 3.33Å; A194-F201 HydrophobicContact CB-CE2 3.74Å; A194-F201 HydrophobicContact CB-CG 3.58Å; A194-F201 HydrophobicContact CB-CZ 4.34Å
195S84.6Confident86.9Confident34 Ų3435.7 Ų35.724%0.23819%0.191CC..Hα-helixtrans-66.3-25.7179.1-179.50000113.7V136 R191 V193V136-S195 WeakPolarHBondContact O-CB 3.27Å; R191-S195 WeakPolarHBondContact O-CB 3.33Å; R191-S195 PolarHBondContact O-N 2.9Å; V193-S195 PolarHBondContact O-N 2.92Å
196Q85.2Confident86.9Confident105 Ų10534.7 Ų34.749%0.49118%0.181SC..Hα-helixtrans-84.6-33.7-179.9-170.175.419.400112.4Y138 A192 V193 A194Y138-Q196 HydrophobicContact CD2-CB 4.38Å; Y138-Q196 HydrophobicContact CD2-CG 4.16Å; Y138-Q196 HydrophobicContact CE2-CB 3.72Å; Y138-Q196 HydrophobicContact CE2-CG 3.59Å; A192-Q196 PolarHBondContact O-N 2.76Å; V193-Q196 PolarHBondContact O-N 3.12Å; A194-Q196 VanDerWaalsContact C-N 3.28Å; A194-Q196 PolarHBondContact O-N 3.21Å
197L83.5Confident86.8Confident31 Ų3137.5 Ų37.516%0.16220%0.202CC..Hα-helixtrans-83.5-11.7-173.1-66.7176.5000113.5I155 E156 L159 V193 A194 V199 I235I155-L197 HydrophobicContact CG2-CD1 3.62Å; E156-L197 HydrophobicContact CB-CD2 3.83Å; E156-L197 HydrophobicContact CG-CD2 3.54Å; L159-L197 HydrophobicContact CD1-CD1 4.39Å; V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.39Å; V193-L197 WeakPolarHBondContact O-CG 3.39Å; V193-L197 PolarHBondContact O-N 3.23Å; A194-L197 PolarHBondContact O-N 3.45Å; L197-V199 HydrophobicContact CB-CG1 4.05Å; L197-V199 HydrophobicContact CB-CG2 3.87Å; L197-V199 WeakPolarHBondContact O-CG1 3.25Å; L197-V199 PolarHBondContact O-N 2.84Å; L197-V199 VanDerWaalsContact O-N 3.16Å; L197-I235 HydrophobicContact CD1-CD1 3.96Å
198D83.7Confident86.6Confident152 Ų15238.1 Ų38.181%0.81322%0.217SC*.THydrogen-bonded Turntrans49.337.9-175-68.1-31.5000112.7
199V84.1Confident86.5Confident26 Ų2635.1 Ų35.116%0.15820%0.201CC..  trans-105.9158.4178.6-630000111.6L197 F201 P233 I235L197-V199 HydrophobicContact CB-CG1 4.05Å; L197-V199 HydrophobicContact CB-CG2 3.87Å; L197-V199 WeakPolarHBondContact O-CG1 3.25Å; L197-V199 PolarHBondContact O-N 2.84Å; L197-V199 VanDerWaalsContact O-N 3.16Å; V199-F201 PolarHBondContact O-N 2.95Å; V199-F201 VanDerWaalsContact O-N 3.14Å; V199-P233 HydrophobicContact CG1-CB 4.17Å; V199-P233 HydrophobicContact CG1-CG 3.86Å; V199-I235 HydrophobicContact CG2-CD1 3.45Å; V199-I235 VanDerWaalsContact CG2-CD1 3.45Å; V199-I235 HydrophobicContact CG2-CG1 3.78Å
200N86.7Confident86.2Confident77 Ų7737.7 Ų37.741%0.41222%0.217SC..EExtended strand (participates in β ladder)trans-61.1118.8177.8-65.8-41.1000110.4H231 P233 C234 I235N200-H231 PolarHBondContact ND2-O 3.04Å; N200-P233 PolarHBondContact N-O 3.38Å; N200-C234 HydrophobicContact CB-CB 4.2Å; N200-C234 CarbonylContact O-C 3.54Å; N200-C234 VanDerWaalsContact O-CA 3.29Å; N200-C234 WeakPolarHBondContact O-CA 3.46Å; N200-C234 PolarHBondContact O-SG 3.48Å; N200-I235 PolarHBondContact O-N 2.93Å
201F89.3Confident86.1Confident10 Ų1040.7 Ų40.74%0.04423%0.233CC..EExtended strand (participates in β ladder)trans-110.7118.8-177.8-177.1-109.5000110.2P133 A194 V199 K203 I235 F237P133-F201 HydrophobicContact CB-CD1 3.96Å; P133-F201 HydrophobicContact CB-CE1 4.24Å; P133-F201 HydrophobicContact CG-CD1 4.42Å; A194-F201 HydrophobicContact CB-CB 3.95Å; A194-F201 HydrophobicContact CB-CD1 4.22Å; A194-F201 HydrophobicContact CB-CD2 3.33Å; A194-F201 HydrophobicContact CB-CE2 3.74Å; A194-F201 HydrophobicContact CB-CG 3.58Å; A194-F201 HydrophobicContact CB-CZ 4.34Å; V199-F201 PolarHBondContact O-N 2.95Å; V199-F201 VanDerWaalsContact O-N 3.14Å; F201-K203 HydrophobicContact CD1-CB 4.18Å; F201-K203 HydrophobicContact CE1-CB 3.68Å; F201-K203 HydrophobicContact CE1-CG 4.32Å; F201-K203 HydrophobicContact CZ-CB 4.43Å; F201-I235 HydrophobicContact CD2-CB 4.13Å; F201-I235 HydrophobicContact CD2-CG2 4Å; F201-I235 HydrophobicContact CE2-CG2 4.16Å; F201-F237 HydrophobicContact CD2-CB 4.48Å; F201-F237 HydrophobicContact CE1-CB 4.46Å; F201-F237 HydrophobicContact CE2-CB 3.43Å; F201-F237 VanDerWaalsContact CE2-CB 3.43Å; F201-F237 HydrophobicContact CE2-CG 4.21Å; F201-F237 HydrophobicContact CZ-CB 3.41Å; F201-F237 VanDerWaalsContact CZ-CB 3.41Å; F201-F237 HydrophobicContact CZ-CD1 4.03Å; F201-F237 AromaticContact CZ-CG 3.85Å; F201-F237 HydrophobicContact CZ-CG 3.85Å
202L89.8Confident86Confident1 Ų144.6 Ų44.61%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-100.2105.9172.6-73.4171.8000108.7V125 M128 M224 Y227 A228 I235 I236 F237V125-L202 HydrophobicContact CG1-CD2 4.39Å; M128-L202 HydrophobicContact CB-CD2 4.22Å; L202-M224 HydrophobicContact CD1-CG 4.17Å; L202-Y227 HydrophobicContact CD1-CD1 4.05Å; L202-Y227 HydrophobicContact CD2-CD1 3.92Å; L202-Y227 HydrophobicContact CD2-CE1 3.96Å; L202-Y227 HydrophobicContact CG-CD1 4.38Å; L202-A228 HydrophobicContact CD1-CB 3.97Å; L202-I235 PolarHBondContact N-O 3.36Å; L202-I236 HydrophobicContact CB-CG1 4.47Å; L202-I236 HydrophobicContact CD1-CG1 4.06Å; L202-F237 PolarHBondContact O-N 3.44Å
203K90.6Very high85.9Confident31 Ų3151.3 Ų51.314%0.13528%0.278CS..EExtended strand (participates in β ladder)trans-89.4120.1172.8-176.4176.2156.2-125.60109.6M128 E131 F201 F237M128-K203 WeakPolarHBondContact CB-O 3.41Å; M128-K203 WeakPolarHBondContact CG-O 3.42Å; M128-K203 PolarHBondContact O-N 3.45Å; E131-K203 IonicContact OE2-NZ 3.31Å; E131-K203 PolarHBondContact OE2-NZ 3.21Å; F201-K203 HydrophobicContact CD1-CB 4.18Å; F201-K203 HydrophobicContact CE1-CB 3.68Å; F201-K203 HydrophobicContact CE1-CG 4.32Å; F201-K203 HydrophobicContact CZ-CB 4.43Å; K203-F237 HydrophobicContact CG-CD1 4.22Å
204V89.2Confident85.7Confident1 Ų158.6 Ų58.61%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-125.5122.8179.7-166.60000109.6M128 I209 M224 F237 M238 D239M128-V204 HydrophobicContact CE-CG1 4.04Å; M128-V204 HydrophobicContact CG-CG2 4.35Å; M128-V204 HydrophobicContact SD-CB 4.38Å; M128-V204 HydrophobicContact SD-CG1 4.02Å; M128-V204 HydrophobicContact SD-CG2 3.69Å; V204-I209 HydrophobicContact CG1-CD1 3.37Å; V204-I209 HydrophobicContact CG1-CG1 3.48Å; V204-I209 VanDerWaalsContact CG1-CG1 3.48Å; V204-M224 HydrophobicContact CG2-SD 3.75Å; V204-F237 PolarHBondContact N-O 3.24Å; V204-M238 WeakPolarHBondContact O-CA 3.11Å; V204-D239 PolarHBondContact O-N 3.18Å
205V88.7Confident85.7Confident58 Ų5859.3 Ų59.335%0.35232%0.324SS..EExtended strand (participates in β ladder)trans-87.4119.2168.9-174.80000106.9S207 G208V205-S207 WeakPolarHBondContact CG1-OG 3.5Å; V205-S207 PolarHBondContact O-N 3.15Å; V205-S207 VanDerWaalsContact O-N 3.15Å; V205-G208 PolarHBondContact O-N 2.81Å
206S86.3Confident85.9Confident0 Ų059.7 Ų59.70%032%0.322CS..G310 helixtrans-59.8-30.8-171.1-58.90000113.3G208 I209 D239 E240 I241 I244S206-G208 VanDerWaalsContact C-N 3.32Å; S206-G208 PolarHBondContact O-N 2.97Å; S206-I209 PolarHBondContact O-N 3.08Å; S206-D239 VanDerWaalsContact CB-O 3.28Å; S206-D239 WeakPolarHBondContact CB-O 3.39Å; S206-D239 PolarHBondContact N-O 3.04Å; S206-D239 PolarHBondContact OG-O 2.62Å; S206-E240 VanDerWaalsContact CB-O 3.25Å; S206-E240 WeakPolarHBondContact CB-O 3.38Å; S206-E240 PolarHBondContact OG-O 3.49Å; S206-I241 WeakPolarHBondContact OG-CA 3.31Å; S206-I244 WeakPolarHBondContact O-CG2 3.13Å
207S85.5Confident86Confident68 Ų6854.8 Ų54.848%0.47630%0.299SS..G310 helixtrans-69.3-25.6174.756.40000113.8V205 I209V205-S207 WeakPolarHBondContact CG1-OG 3.5Å; V205-S207 PolarHBondContact O-N 3.15Å; V205-S207 VanDerWaalsContact O-N 3.15Å; S207-I209 VanDerWaalsContact C-N 3.32Å; S207-I209 PolarHBondContact O-N 2.83Å
208G83.7Confident86.3Confident56 Ų5653.5 Ų53.558%0.57729%0.293SS*.G310 helixtrans-78.5-12.3178.400000114.4V205 S206V205-G208 PolarHBondContact O-N 2.81Å; S206-G208 VanDerWaalsContact C-N 3.32Å; S206-G208 PolarHBondContact O-N 2.97Å
209I85.5Confident86.6Confident4 Ų451.6 Ų51.62%0.02127%0.274CS..SBendtrans-81.3-26.7178-51.2176.2000111V204 S206 S207 D211 S217 L220 I221 I244 T262V204-I209 HydrophobicContact CG1-CD1 3.37Å; V204-I209 HydrophobicContact CG1-CG1 3.48Å; V204-I209 VanDerWaalsContact CG1-CG1 3.48Å; S206-I209 PolarHBondContact O-N 3.08Å; S207-I209 VanDerWaalsContact C-N 3.32Å; S207-I209 PolarHBondContact O-N 2.83Å; I209-D211 PolarHBondContact O-N 2.82Å; I209-S217 WeakPolarHBondContact O-CB 3.44Å; I209-S217 PolarHBondContact O-OG 3.36Å; I209-L220 HydrophobicContact CB-CD2 4.39Å; I209-L220 HydrophobicContact CG2-CD2 3.96Å; I209-L220 HydrophobicContact CG2-CG 4.45Å; I209-I221 HydrophobicContact CG2-CD1 4.34Å; I209-I221 HydrophobicContact CG2-CG1 3.93Å; I209-I244 HydrophobicContact CD1-CD1 4.42Å; I209-T262 HydrophobicContact CG2-CG2 4.46Å
210V84Confident86.9Confident57 Ų5750.8 Ų50.835%0.34527%0.269SS..  trans-80.7108.2-173-175.80000109.7I244 I259V210-I244 HydrophobicContact CG2-CG2 3.64Å; V210-I259 HydrophobicContact CG1-CG1 4.25Å
211D83.8Confident87Confident62 Ų6247.1 Ų47.133%0.33225%0.249SC..  trans-102.7160.5173-155.1-17.2000110.9I209 Y213 E216 S217I209-D211 PolarHBondContact O-N 2.82Å; D211-Y213 VanDerWaalsContact C-N 3.25Å; D211-Y213 PolarHBondContact O-N 3.09Å; D211-E216 HydrophobicContact CB-CB 4.35Å; D211-E216 HydrophobicContact CB-CG 4.35Å; D211-S217 PolarHBondContact N-OG 3.12Å
212K83.5Confident87Confident160 Ų16051.8 Ų51.870%0.69627%0.267SS*.SBendtrans-76-11.6175.864.6-177.7175.6-175.80113.4
213Y84.4Confident86.9Confident141 Ų14154.3 Ų54.355%0.55328%0.278SS*.SBendtrans-90.1120.6-176.9-65.9-72.8000110.8D211 G215 E216D211-Y213 VanDerWaalsContact C-N 3.25Å; D211-Y213 PolarHBondContact O-N 3.09Å; Y213-G215 PolarHBondContact O-N 3.4Å; Y213-E216 WeakPolarHBondContact O-CB 3.48Å; Y213-E216 PolarHBondContact O-N 3.11Å
214I82.6Confident86.9Confident153 Ų15353 Ų5379%0.78527%0.273SS*.THydrogen-bonded Turntrans-53.4112.9-173.8-59.7171.5000111.5E216 E258I214-E216 VanDerWaalsContact C-N 3.32Å; I214-E258 VanDerWaalsContact CA-OE1 3.31Å; I214-E258 WeakPolarHBondContact CA-OE1 3.3Å
215G85Confident86.9Confident19 Ų1953 Ų5320%0.19627%0.273CS..THydrogen-bonded Turntrans85.10.6173.100000115Y213 A218 R219 E258Y213-G215 PolarHBondContact O-N 3.4Å; G215-A218 PolarHBondContact O-N 3.28Å; G215-R219 PolarHBondContact O-N 3.47Å; G215-R219 VanDerWaalsContact O-N 3.12Å; G215-E258 PolarHBondContact N-OE1 2.94Å
216E88Confident86.9Confident42 Ų4251.9 Ų51.920%0.19627%0.265CS..Hα-helixtrans-65.8-45.6173.8-171.751.9-13600110.8D211 Y213 I214 A218 R219 L220D211-E216 HydrophobicContact CB-CB 4.35Å; D211-E216 HydrophobicContact CB-CG 4.35Å; Y213-E216 WeakPolarHBondContact O-CB 3.48Å; Y213-E216 PolarHBondContact O-N 3.11Å; I214-E216 VanDerWaalsContact C-N 3.32Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.2Å; E216-R219 WeakPolarHBondContact O-CA 3.32Å; E216-R219 VanDerWaalsContact O-CB 3.29Å; E216-R219 WeakPolarHBondContact O-CB 3.43Å; E216-R219 PolarHBondContact O-N 2.9Å; E216-R219 IonicContact OE1-CZ 3.35Å; E216-R219 IonicContact OE1-NE 3.39Å; E216-R219 PolarHBondContact OE1-NE 3.37Å; E216-R219 IonicContact OE1-NH2 2.76Å; E216-R219 PolarHBondContact OE1-NH2 3.2Å; E216-R219 IonicContact OE2-CZ 2.94Å; E216-R219 IonicContact OE2-NE 3.07Å; E216-R219 PolarHBondContact OE2-NE 3.06Å; E216-R219 VanDerWaalsContact OE2-NE 3.15Å; E216-R219 IonicContact OE2-NH2 3.81Å; E216-R219 PolarHBondContact OE2-NH2 2.94Å; E216-R219 VanDerWaalsContact OE2-NH2 3.08Å; E216-L220 PolarHBondContact O-N 2.97Å
217S89.1Confident87Confident1 Ų153.2 Ų53.21%0.00727%0.27CS..Hα-helixtrans-53.7-40.8174.9-49.20000112.5I209 D211 L220 I221 T262I209-S217 WeakPolarHBondContact O-CB 3.44Å; I209-S217 PolarHBondContact O-OG 3.36Å; D211-S217 PolarHBondContact N-OG 3.12Å; S217-L220 PolarHBondContact O-N 3.1Å; S217-I221 PolarHBondContact O-N 3.17Å; S217-T262 VanDerWaalsContact CB-OG1 3.22Å; S217-T262 WeakPolarHBondContact CB-OG1 3.47Å
218A89.3Confident87.2Confident5 Ų550 Ų504%0.04125%0.247CC..Hα-helixtrans-75.5-25.1176.400000113.4G215 E216 R222 E265G215-A218 PolarHBondContact O-N 3.28Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.2Å; A218-R222 WeakPolarHBondContact O-CG 3.47Å; A218-R222 PolarHBondContact O-N 3.4Å; A218-R222 PolarHBondContact O-NE 3.26Å; A218-E265 HydrophobicContact CB-CB 4.23Å; A218-E265 HydrophobicContact CB-CG 4.29Å
219R88.9Confident87.4Confident112 Ų11250 Ų5042%0.42323%0.23SC..Hα-helixtrans-68.6-46.7169.3-178.7175.772.7159.85.5110.1G215 E216 I221 R222 E223G215-R219 PolarHBondContact O-N 3.47Å; G215-R219 VanDerWaalsContact O-N 3.12Å; E216-R219 WeakPolarHBondContact O-CA 3.32Å; E216-R219 VanDerWaalsContact O-CB 3.29Å; E216-R219 WeakPolarHBondContact O-CB 3.43Å; E216-R219 PolarHBondContact O-N 2.9Å; E216-R219 IonicContact OE1-CZ 3.35Å; E216-R219 IonicContact OE1-NE 3.39Å; E216-R219 PolarHBondContact OE1-NE 3.37Å; E216-R219 IonicContact OE1-NH2 2.76Å; E216-R219 PolarHBondContact OE1-NH2 3.2Å; E216-R219 IonicContact OE2-CZ 2.94Å; E216-R219 IonicContact OE2-NE 3.07Å; E216-R219 PolarHBondContact OE2-NE 3.06Å; E216-R219 VanDerWaalsContact OE2-NE 3.15Å; E216-R219 IonicContact OE2-NH2 3.81Å; E216-R219 PolarHBondContact OE2-NH2 2.94Å; E216-R219 VanDerWaalsContact OE2-NH2 3.08Å; R219-I221 VanDerWaalsContact C-N 3.34Å; R219-I221 PolarHBondContact O-N 3.49Å; R219-R222 WeakPolarHBondContact O-CB 3.49Å; R219-R222 PolarHBondContact O-N 3.49Å; R219-R222 VanDerWaalsContact O-N 3.09Å; R219-E223 HydrophobicContact CG-CG 4.41Å; R219-E223 PolarHBondContact O-N 3.47Å
220L90.1Very high87.4Confident8 Ų854 Ų544%0.04225%0.252CS..Hα-helixtrans-58.9-43.2-178.8-173.661.2000112.3L124 V125 M128 I209 E216 S217 R222 E223 M224L124-L220 HydrophobicContact CB-CD1 3.93Å; L124-L220 HydrophobicContact CD1-CD1 4.24Å; L124-L220 HydrophobicContact CD1-CD2 4.16Å; V125-L220 HydrophobicContact CG2-CD1 3.66Å; M128-L220 HydrophobicContact CE-CD2 4.27Å; I209-L220 HydrophobicContact CB-CD2 4.39Å; I209-L220 HydrophobicContact CG2-CD2 3.96Å; I209-L220 HydrophobicContact CG2-CG 4.45Å; E216-L220 PolarHBondContact O-N 2.97Å; S217-L220 PolarHBondContact O-N 3.1Å; L220-R222 PolarHBondContact O-N 2.93Å; L220-E223 PolarHBondContact O-N 2.97Å; L220-M224 WeakPolarHBondContact O-CB 3.5Å; L220-M224 PolarHBondContact O-N 2.73Å
221I90.7Very high87.6Confident1 Ų154.7 Ų54.71%0.00525%0.251CS..Hα-helixtrans-60.6-44.2175.2-68.6-173000111.6I209 S217 R219 E223 M224 F225 T262 E265 L266 Q269I209-I221 HydrophobicContact CG2-CD1 4.34Å; I209-I221 HydrophobicContact CG2-CG1 3.93Å; S217-I221 PolarHBondContact O-N 3.17Å; R219-I221 VanDerWaalsContact C-N 3.34Å; R219-I221 PolarHBondContact O-N 3.49Å; I221-E223 VanDerWaalsContact C-N 3.35Å; I221-E223 PolarHBondContact O-N 3.29Å; I221-M224 HydrophobicContact CG2-CE 4.47Å; I221-M224 PolarHBondContact O-N 3.48Å; I221-F225 HydrophobicContact CG2-CD2 3.93Å; I221-F225 HydrophobicContact CG2-CE2 3.95Å; I221-F225 WeakPolarHBondContact O-CD2 3.48Å; I221-F225 PolarHBondContact O-N 3.25Å; I221-F225 VanDerWaalsContact O-N 3.08Å; I221-T262 HydrophobicContact CD1-CG2 3.33Å; I221-T262 HydrophobicContact CG1-CG2 4.24Å; I221-E265 HydrophobicContact CG2-CG 4.38Å; I221-L266 HydrophobicContact CD1-CB 4.06Å; I221-L266 HydrophobicContact CG2-CB 4.37Å; I221-L266 HydrophobicContact CG2-CD1 4.37Å; I221-Q269 HydrophobicContact CG2-CG 4.45Å
222R88.6Confident87.7Confident108 Ų10855.4 Ų55.441%0.40825%0.252SS..Hα-helixtrans-62.1-43.5177.5-73.6179.7-71.4157.50.7111.7A218 R219 L220 F225 N226 E265A218-R222 WeakPolarHBondContact O-CG 3.47Å; A218-R222 PolarHBondContact O-N 3.4Å; A218-R222 PolarHBondContact O-NE 3.26Å; R219-R222 WeakPolarHBondContact O-CB 3.49Å; R219-R222 PolarHBondContact O-N 3.49Å; R219-R222 VanDerWaalsContact O-N 3.09Å; L220-R222 PolarHBondContact O-N 2.93Å; R222-F225 PolarHBondContact O-N 3.47Å; R222-N226 WeakPolarHBondContact O-CB 3.39Å; R222-N226 PolarHBondContact O-N 2.91Å; R222-N226 PolarHBondContact O-ND2 3.43Å; R222-E265 VanDerWaalsContact CD-OE1 3.25Å; R222-E265 WeakPolarHBondContact CD-OE1 3.46Å; R222-E265 HydrophobicContact CG-CG 3.89Å; R222-E265 WeakPolarHBondContact CG-OE1 3.41Å
223E88.1Confident87.9Confident54 Ų5449.9 Ų49.925%0.25223%0.233SC..Hα-helixtrans-66.5-39177.9-67.5-58.516700112.5V125 R219 L220 I221 F225 N226 Y227V125-E223 HydrophobicContact CG2-CB 4.34Å; R219-E223 HydrophobicContact CG-CG 4.41Å; R219-E223 PolarHBondContact O-N 3.47Å; L220-E223 PolarHBondContact O-N 2.97Å; I221-E223 VanDerWaalsContact C-N 3.35Å; I221-E223 PolarHBondContact O-N 3.29Å; E223-F225 PolarHBondContact O-N 3.47Å; E223-N226 WeakPolarHBondContact O-CB 3.3Å; E223-N226 PolarHBondContact O-N 2.88Å; E223-Y227 WeakPolarHBondContact O-CB 3.49Å; E223-Y227 PolarHBondContact O-N 3.16Å
224M90Very high88.1Confident4 Ų443.2 Ų43.22%0.0221%0.206CC..Hα-helixtrans-59.6-47174.7179.2-157.364.300111.7V125 L202 V204 L220 I221 Y227 A228 I236 M238V125-M224 HydrophobicContact CG2-CB 4.29Å; L202-M224 HydrophobicContact CD1-CG 4.17Å; V204-M224 HydrophobicContact CG2-SD 3.75Å; L220-M224 WeakPolarHBondContact O-CB 3.5Å; L220-M224 PolarHBondContact O-N 2.73Å; I221-M224 HydrophobicContact CG2-CE 4.47Å; I221-M224 PolarHBondContact O-N 3.48Å; M224-Y227 PolarHBondContact O-N 2.92Å; M224-A228 WeakPolarHBondContact O-CB 3.5Å; M224-A228 PolarHBondContact O-N 3.22Å; M224-I236 HydrophobicContact CE-CD1 4.23Å; M224-I236 HydrophobicContact CE-CG2 4.21Å; M224-I236 HydrophobicContact SD-CG2 3.85Å; M224-M238 HydrophobicContact CE-CE 3.44Å; M224-M238 VanDerWaalsContact CE-CE 3.44Å; M224-M238 HydrophobicContact SD-CE 3.79Å
225F89.9Confident88.4Confident1 Ų136 Ų360%0.00417%0.169CC..Hα-helixtrans-66.1-37.3175.4-85.5-82.5000112.5I221 R222 E223 A228 R229 I236 L266 Q269 M270 L276 M281I221-F225 HydrophobicContact CG2-CD2 3.93Å; I221-F225 HydrophobicContact CG2-CE2 3.95Å; I221-F225 WeakPolarHBondContact O-CD2 3.48Å; I221-F225 PolarHBondContact O-N 3.25Å; I221-F225 VanDerWaalsContact O-N 3.08Å; R222-F225 PolarHBondContact O-N 3.47Å; E223-F225 PolarHBondContact O-N 3.47Å; F225-A228 PolarHBondContact O-N 3.46Å; F225-R229 WeakPolarHBondContact O-CB 3.29Å; F225-R229 VanDerWaalsContact O-CG 3.31Å; F225-R229 WeakPolarHBondContact O-CG 3.26Å; F225-R229 PolarHBondContact O-N 3.17Å; F225-I236 HydrophobicContact CD1-CD1 4.13Å; F225-I236 HydrophobicContact CE1-CD1 4.11Å; F225-L266 HydrophobicContact CE2-CD1 3.59Å; F225-L266 HydrophobicContact CZ-CD1 3.87Å; F225-Q269 HydrophobicContact CD1-CB 4.16Å; F225-Q269 HydrophobicContact CD2-CB 3.47Å; F225-Q269 VanDerWaalsContact CD2-CB 3.47Å; F225-Q269 HydrophobicContact CD2-CG 3.82Å; F225-Q269 HydrophobicContact CE1-CB 4.2Å; F225-Q269 HydrophobicContact CE2-CB 3.54Å; F225-Q269 HydrophobicContact CE2-CG 4.26Å; F225-Q269 HydrophobicContact CG-CB 3.8Å; F225-Q269 HydrophobicContact CG-CG 4.24Å; F225-Q269 HydrophobicContact CZ-CB 3.9Å; F225-M270 HydrophobicContact CZ-CG 4.22Å; F225-L276 HydrophobicContact CD1-CD2 4.12Å; F225-L276 HydrophobicContact CE1-CD2 4.09Å; F225-M281 HydrophobicContact CE1-CE 4.35Å; F225-M281 HydrophobicContact CE1-SD 3.58Å; F225-M281 VanDerWaalsContact CE1-SD 3.58Å; F225-M281 HydrophobicContact CE2-SD 4.46Å; F225-M281 HydrophobicContact CZ-CE 3.86Å; F225-M281 HydrophobicContact CZ-SD 3.37Å; F225-M281 WeakPolarHBondContact CZ-SD 3.19Å
226N87.6Confident88.7Confident34 Ų3435 Ų3518%0.18216%0.16CC..Hα-helixtrans-61.9-45.4175.1-74.3-26.6000111.8R119 R222 E223 R229 D230R119-N226 VanDerWaalsContact NH2-CB 3.35Å; R119-N226 PolarHBondContact NH2-ND2 3.3Å; R119-N226 PolarHBondContact NH2-OD1 3Å; R222-N226 WeakPolarHBondContact O-CB 3.39Å; R222-N226 PolarHBondContact O-N 2.91Å; R222-N226 PolarHBondContact O-ND2 3.43Å; E223-N226 WeakPolarHBondContact O-CB 3.3Å; E223-N226 PolarHBondContact O-N 2.88Å; N226-R229 PolarHBondContact O-N 3.04Å; N226-R229 PolarHBondContact OD1-NH1 2.98Å; N226-D230 PolarHBondContact O-N 3.43Å
227Y88.9Confident89Confident28 Ų2833 Ų3311%0.1115%0.15CC..Hα-helixtrans-61.4-44.9176.5-175.1-92.3000111.5V121 V125 S129 L202 E223 M224 R229 D230 H231V121-Y227 HydrophobicContact CB-CD2 4.22Å; V121-Y227 HydrophobicContact CB-CE2 4.5Å; V121-Y227 HydrophobicContact CG1-CD2 3.37Å; V121-Y227 HydrophobicContact CG1-CE2 3.7Å; V121-Y227 HydrophobicContact CG1-CG 4.29Å; V121-Y227 HydrophobicContact CG2-CD2 3.75Å; V121-Y227 HydrophobicContact CG2-CE2 4.08Å; V125-Y227 HydrophobicContact CG1-CD1 4.07Å; V125-Y227 HydrophobicContact CG1-CD2 4.3Å; V125-Y227 HydrophobicContact CG1-CG 3.76Å; S129-Y227 PolarHBondContact OG-OH 3.27Å; L202-Y227 HydrophobicContact CD1-CD1 4.05Å; L202-Y227 HydrophobicContact CD2-CD1 3.92Å; L202-Y227 HydrophobicContact CD2-CE1 3.96Å; L202-Y227 HydrophobicContact CG-CD1 4.38Å; E223-Y227 WeakPolarHBondContact O-CB 3.49Å; E223-Y227 PolarHBondContact O-N 3.16Å; M224-Y227 PolarHBondContact O-N 2.92Å; Y227-R229 VanDerWaalsContact C-N 3.29Å; Y227-R229 PolarHBondContact O-N 3.34Å; Y227-D230 PolarHBondContact O-N 3.24Å; Y227-H231 AromaticContact CD1-ND1 3.88Å; Y227-H231 AromaticContact CD2-CE1 3.56Å; Y227-H231 AromaticContact CD2-ND1 3.61Å; Y227-H231 AromaticContact CE1-ND1 3.82Å; Y227-H231 AromaticContact CE2-CE1 3.21Å; Y227-H231 WeakPolarHBondContact CE2-CE1 3.34Å; Y227-H231 AromaticContact CE2-ND1 3.53Å; Y227-H231 AromaticContact CE2-NE2 3.96Å; Y227-H231 AromaticContact CG-ND1 3.82Å; Y227-H231 AromaticContact CZ-CE1 3.62Å; Y227-H231 AromaticContact CZ-ND1 3.66Å; Y227-H231 WeakPolarHBondContact O-CB 3.43Å; Y227-H231 PolarHBondContact O-N 3.21Å; Y227-H231 PolarHBondContact O-ND1 3.49Å
228A89Confident89.1Confident0 Ų033 Ų330%015%0.15CC..Hα-helixtrans-62.4-35.6176.400000112.5L202 M224 F225 Q232 C234 I236 V279L202-A228 HydrophobicContact CD1-CB 3.97Å; M224-A228 WeakPolarHBondContact O-CB 3.5Å; M224-A228 PolarHBondContact O-N 3.22Å; F225-A228 PolarHBondContact O-N 3.46Å; A228-Q232 WeakPolarHBondContact O-CG 3.42Å; A228-C234 HydrophobicContact CB-CB 4.27Å; A228-I236 HydrophobicContact CB-CD1 3.75Å; A228-I236 HydrophobicContact CB-CG1 4.09Å; A228-V279 HydrophobicContact CB-CG1 4.02Å; A228-V279 HydrophobicContact CB-CG2 4.28Å
229R87.5Confident89.2Confident56 Ų5634 Ų3421%0.21116%0.155CC..Hα-helixtrans-69.3-37.5175.4-74.7-179.4-163.3120.42.3112.4F225 N226 Y227 H231 Q232F225-R229 WeakPolarHBondContact O-CB 3.29Å; F225-R229 VanDerWaalsContact O-CG 3.31Å; F225-R229 WeakPolarHBondContact O-CG 3.26Å; F225-R229 PolarHBondContact O-N 3.17Å; N226-R229 PolarHBondContact O-N 3.04Å; N226-R229 PolarHBondContact OD1-NH1 2.98Å; Y227-R229 VanDerWaalsContact C-N 3.29Å; Y227-R229 PolarHBondContact O-N 3.34Å; R229-H231 VanDerWaalsContact C-N 3.33Å; R229-Q232 WeakPolarHBondContact O-CG 3.3Å; R229-Q232 PolarHBondContact O-NE2 3.17Å; R229-Q232 VanDerWaalsContact O-NE2 3.08Å
230D86.9Confident89.2Confident89 Ų8932.7 Ų32.748%0.47615%0.153SC..Hα-helixtrans-72.6-28.3179-70-9.8000111.8R119 N226 Y227R119-D230 IonicContact CZ-OD2 3.8Å; R119-D230 IonicContact NE-OD2 2.66Å; R119-D230 IonicContact NH1-OD1 2.62Å; R119-D230 PolarHBondContact NH1-OD1 3.11Å; R119-D230 IonicContact NH1-OD2 3.08Å; R119-D230 PolarHBondContact NH1-OD2 3.31Å; N226-D230 PolarHBondContact O-N 3.43Å; Y227-D230 PolarHBondContact O-N 3.24Å
231H87Confident89.2Confident71 Ų7132.3 Ų32.333%0.32915%0.151SC..THydrogen-bonded Turntrans-110.539.2-175.6-63.488000113.7N200 Y227 R229 P233N200-H231 PolarHBondContact ND2-O 3.04Å; Y227-H231 AromaticContact CD1-ND1 3.88Å; Y227-H231 AromaticContact CD2-CE1 3.56Å; Y227-H231 AromaticContact CD2-ND1 3.61Å; Y227-H231 AromaticContact CE1-ND1 3.82Å; Y227-H231 AromaticContact CE2-CE1 3.21Å; Y227-H231 WeakPolarHBondContact CE2-CE1 3.34Å; Y227-H231 AromaticContact CE2-ND1 3.53Å; Y227-H231 AromaticContact CE2-NE2 3.96Å; Y227-H231 AromaticContact CG-ND1 3.82Å; Y227-H231 AromaticContact CZ-CE1 3.62Å; Y227-H231 AromaticContact CZ-ND1 3.66Å; Y227-H231 WeakPolarHBondContact O-CB 3.43Å; Y227-H231 PolarHBondContact O-N 3.21Å; Y227-H231 PolarHBondContact O-ND1 3.49Å; R229-H231 VanDerWaalsContact C-N 3.33Å; H231-P233 CarbonylContact O-C 3.57Å
232Q85.6Confident89.1Confident77 Ų7734.6 Ų34.636%0.3616%0.164SC..  trans-68.5139.8177.1-71.5178.742.600112A228 R229 Q278 V279A228-Q232 WeakPolarHBondContact O-CG 3.42Å; R229-Q232 WeakPolarHBondContact O-CG 3.3Å; R229-Q232 PolarHBondContact O-NE2 3.17Å; R229-Q232 VanDerWaalsContact O-NE2 3.08Å; Q232-Q278 HydrophobicContact CB-CB 4.27Å; Q232-V279 HydrophobicContact CG-CG2 3.81Å
233P88.4Confident89Confident44 Ų4431.4 Ų31.429%0.28616%0.161SC..SBendcis-75.4138.2-0.830.6-35.6000113.5L159 V199 N200 H231 Q278L159-P233 HydrophobicContact CD2-CB 3.8Å; V199-P233 HydrophobicContact CG1-CB 4.17Å; V199-P233 HydrophobicContact CG1-CG 3.86Å; N200-P233 PolarHBondContact N-O 3.38Å; H231-P233 CarbonylContact O-C 3.57Å; P233-Q278 HydrophobicContact CB-CB 4.03Å
234C88.6Confident88.9Confident0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-140141.5-176.1-179.20000112.7N200 A228 Q278 V279 K280N200-C234 HydrophobicContact CB-CB 4.2Å; N200-C234 CarbonylContact O-C 3.54Å; N200-C234 VanDerWaalsContact O-CA 3.29Å; N200-C234 WeakPolarHBondContact O-CA 3.46Å; N200-C234 PolarHBondContact O-SG 3.48Å; A228-C234 HydrophobicContact CB-CB 4.27Å; C234-Q278 PolarHBondContact N-O 3.03Å; C234-Q278 VanDerWaalsContact N-O 3.14Å; C234-V279 WeakPolarHBondContact O-CA 3.32Å; C234-K280 PolarHBondContact O-N 3.43Å
235I89.7Confident88.4Confident1 Ų128.7 Ų28.71%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-111.1123.9173.8-61.1173.7000109.2I155 V193 L197 V199 N200 F201 L202 K280 I282I155-I235 HydrophobicContact CG2-CD1 3.57Å; I155-I235 HydrophobicContact CG2-CG1 4.15Å; V193-I235 HydrophobicContact CG1-CD1 4.48Å; L197-I235 HydrophobicContact CD1-CD1 3.96Å; V199-I235 HydrophobicContact CG2-CD1 3.45Å; V199-I235 VanDerWaalsContact CG2-CD1 3.45Å; V199-I235 HydrophobicContact CG2-CG1 3.78Å; N200-I235 PolarHBondContact O-N 2.93Å; F201-I235 HydrophobicContact CD2-CB 4.13Å; F201-I235 HydrophobicContact CD2-CG2 4Å; F201-I235 HydrophobicContact CE2-CG2 4.16Å; L202-I235 PolarHBondContact N-O 3.36Å; I235-K280 CarbonylContact C-O 3.52Å; I235-K280 WeakPolarHBondContact CA-O 3.31Å; I235-K280 HydrophobicContact CG1-CB 4.49Å; I235-I282 HydrophobicContact CG2-CD1 3.72Å; I235-I282 HydrophobicContact CG2-CG1 3.97Å
236I91.6Very high87.8Confident0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-98.8115.1171.4-54.4176.7000108.2L202 M224 F225 A228 M238 V279 K280 M281 I282L202-I236 HydrophobicContact CB-CG1 4.47Å; L202-I236 HydrophobicContact CD1-CG1 4.06Å; M224-I236 HydrophobicContact CE-CD1 4.23Å; M224-I236 HydrophobicContact CE-CG2 4.21Å; M224-I236 HydrophobicContact SD-CG2 3.85Å; F225-I236 HydrophobicContact CD1-CD1 4.13Å; F225-I236 HydrophobicContact CE1-CD1 4.11Å; A228-I236 HydrophobicContact CB-CD1 3.75Å; A228-I236 HydrophobicContact CB-CG1 4.09Å; I236-M238 HydrophobicContact CG2-CE 4.15Å; I236-M238 HydrophobicContact CG2-CG 4.28Å; I236-V279 HydrophobicContact CD1-CG1 3.94Å; I236-V279 HydrophobicContact CG1-CG1 4.25Å; I236-K280 PolarHBondContact N-O 2.76Å; I236-M281 HydrophobicContact CB-CG 4.17Å; I236-M281 HydrophobicContact CB-SD 4.17Å; I236-M281 HydrophobicContact CD1-CG 4.43Å; I236-M281 HydrophobicContact CD1-SD 4.01Å; I236-M281 HydrophobicContact CG2-SD 4.34Å; I236-M281 CarbonylContact O-C 3.48Å; I236-M281 WeakPolarHBondContact O-CA 3.26Å; I236-I282 PolarHBondContact O-N 3.3Å
237F92.5Very high87.1Confident0 Ų035.1 Ų35.10%018%0.178CC..EExtended strand (participates in β ladder)trans-105.2115.7174176.7-105.3000110.3T187 A190 F201 L202 K203 V204 D239 I282 A284T187-F237 HydrophobicContact CG2-CE1 3.94Å; T187-F237 HydrophobicContact CG2-CZ 4.21Å; A190-F237 HydrophobicContact CB-CD1 4.5Å; A190-F237 HydrophobicContact CB-CD2 3.29Å; A190-F237 HydrophobicContact CB-CE1 4.47Å; A190-F237 HydrophobicContact CB-CE2 3.27Å; A190-F237 HydrophobicContact CB-CG 3.96Å; A190-F237 HydrophobicContact CB-CZ 3.91Å; F201-F237 HydrophobicContact CD2-CB 4.48Å; F201-F237 HydrophobicContact CE1-CB 4.46Å; F201-F237 HydrophobicContact CE2-CB 3.43Å; F201-F237 VanDerWaalsContact CE2-CB 3.43Å; F201-F237 HydrophobicContact CE2-CG 4.21Å; F201-F237 HydrophobicContact CZ-CB 3.41Å; F201-F237 VanDerWaalsContact CZ-CB 3.41Å; F201-F237 HydrophobicContact CZ-CD1 4.03Å; F201-F237 AromaticContact CZ-CG 3.85Å; F201-F237 HydrophobicContact CZ-CG 3.85Å; L202-F237 PolarHBondContact O-N 3.44Å; K203-F237 HydrophobicContact CG-CD1 4.22Å; V204-F237 PolarHBondContact N-O 3.24Å; F237-D239 HydrophobicContact CE1-CB 3.69Å; F237-D239 HydrophobicContact CZ-CB 4.08Å; F237-I282 CarbonylContact C-O 3.47Å; F237-I282 WeakPolarHBondContact CA-O 3.3Å; F237-I282 HydrophobicContact CD2-CB 3.83Å; F237-I282 HydrophobicContact CD2-CG2 3.66Å; F237-I282 HydrophobicContact CE2-CG2 4Å; F237-A284 HydrophobicContact CE2-CB 3.93Å; F237-A284 HydrophobicContact CZ-CB 3.93Å
238M91.8Very high86.2Confident1 Ų141.5 Ų41.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-104.4110174.9-67-174171.400110V204 M224 I236 I241 L266 I282 M283 A284V204-M238 WeakPolarHBondContact O-CA 3.11Å; M224-M238 HydrophobicContact CE-CE 3.44Å; M224-M238 VanDerWaalsContact CE-CE 3.44Å; M224-M238 HydrophobicContact SD-CE 3.79Å; I236-M238 HydrophobicContact CG2-CE 4.15Å; I236-M238 HydrophobicContact CG2-CG 4.28Å; M238-I241 HydrophobicContact CB-CD1 4.37Å; M238-I241 HydrophobicContact SD-CD1 3.97Å; M238-L266 HydrophobicContact CE-CD1 3.68Å; M238-L266 HydrophobicContact CE-CD2 4.41Å; M238-L266 HydrophobicContact SD-CD1 4.15Å; M238-L266 HydrophobicContact SD-CD2 3.97Å; M238-I282 PolarHBondContact N-O 2.92Å; M238-M283 HydrophobicContact CB-CG 4.33Å; M238-M283 CarbonylContact O-C 3.56Å; M238-M283 WeakPolarHBondContact O-CA 3.47Å; M238-M283 HydrophobicContact SD-CE 4.16Å; M238-A284 PolarHBondContact O-N 2.93Å
239D91Very high85.2Confident24 Ų2448.3 Ų48.313%0.12823%0.232CC..EExtended strand (participates in β ladder)trans-87.3150.1173.5-143.5-17.1000110.9T187 V204 S206 F237 I241T187-D239 VanDerWaalsContact CG2-OD2 3.32Å; T187-D239 WeakPolarHBondContact CG2-OD2 3.41Å; T187-D239 PolarHBondContact OG1-OD2 3.31Å; V204-D239 PolarHBondContact O-N 3.18Å; S206-D239 VanDerWaalsContact CB-O 3.28Å; S206-D239 WeakPolarHBondContact CB-O 3.39Å; S206-D239 PolarHBondContact N-O 3.04Å; S206-D239 PolarHBondContact OG-O 2.62Å; F237-D239 HydrophobicContact CE1-CB 3.69Å; F237-D239 HydrophobicContact CZ-CB 4.08Å; D239-I241 PolarHBondContact O-N 3.27Å
240E89.5Confident84.2Confident85 Ų8553 Ų5340%0.39727%0.267SS..  trans51.448.8178.3-57.8-175.4157.400113.9S206 D242 A243 A284S206-E240 VanDerWaalsContact CB-O 3.25Å; S206-E240 WeakPolarHBondContact CB-O 3.38Å; S206-E240 PolarHBondContact OG-O 3.49Å; E240-D242 VanDerWaalsContact C-OD1 3.23Å; E240-D242 WeakPolarHBondContact CA-OD1 3.29Å; E240-D242 PolarHBondContact O-N 3.45Å; E240-A243 WeakPolarHBondContact O-CB 3.4Å; E240-A243 PolarHBondContact O-N 3.43Å; E240-A284 PolarHBondContact N-O 3.47Å; E240-A284 VanDerWaalsContact N-O 3.14Å
241I90.7Very high83.6Confident0 Ų057.9 Ų57.90%029%0.287CS..G310 helixtrans-59.9-17-176.9-169.667.5000113.5L177 S206 M238 D239 A243 I244 G245 L266 M283 A284 L291 L295L177-I241 HydrophobicContact CD1-CG2 4.49Å; S206-I241 WeakPolarHBondContact OG-CA 3.31Å; M238-I241 HydrophobicContact CB-CD1 4.37Å; M238-I241 HydrophobicContact SD-CD1 3.97Å; D239-I241 PolarHBondContact O-N 3.27Å; I241-A243 PolarHBondContact O-N 3.41Å; I241-I244 HydrophobicContact CD1-CD1 3.66Å; I241-I244 HydrophobicContact CD1-CG1 3.61Å; I241-I244 HydrophobicContact CG1-CG1 4.49Å; I241-I244 PolarHBondContact O-N 2.87Å; I241-G245 WeakPolarHBondContact O-CA 3.34Å; I241-G245 PolarHBondContact O-N 2.83Å; I241-L266 HydrophobicContact CD1-CD2 4.1Å; I241-M283 HydrophobicContact CD1-SD 4.09Å; I241-M283 HydrophobicContact CG1-SD 3.88Å; I241-M283 HydrophobicContact CG2-CB 4.35Å; I241-A284 PolarHBondContact N-O 3.08Å; I241-A284 VanDerWaalsContact N-O 3.12Å; I241-L291 HydrophobicContact CG2-CD1 4.29Å; I241-L291 HydrophobicContact CG2-CD2 3.86Å; I241-L295 HydrophobicContact CG1-CD1 4.49Å
242D87.9Confident82.8Confident49 Ų4955.3 Ų55.326%0.26228%0.28SS..G310 helixtrans-61.8-20.3172.653.2-48.2000113.8E240 L291E240-D242 VanDerWaalsContact C-OD1 3.23Å; E240-D242 WeakPolarHBondContact CA-OD1 3.29Å; E240-D242 PolarHBondContact O-N 3.45Å; D242-L291 HydrophobicContact CB-CD2 4.28Å
243A86.5Confident82.6Confident42 Ų4255.8 Ų55.835%0.34729%0.288SS..G310 helixtrans-65.4-36174.200000113.3E240 I241E240-A243 WeakPolarHBondContact O-CB 3.4Å; E240-A243 PolarHBondContact O-N 3.43Å; I241-A243 PolarHBondContact O-N 3.41Å
244I86.1Confident82.3Confident1 Ų158.4 Ų58.41%0.00531%0.308CS..THydrogen-bonded Turntrans-111-20.1179.864.3175.3000113.4S206 I209 V210 I241 I259 L266S206-I244 WeakPolarHBondContact O-CG2 3.13Å; I209-I244 HydrophobicContact CD1-CD1 4.42Å; V210-I244 HydrophobicContact CG2-CG2 3.64Å; I241-I244 HydrophobicContact CD1-CD1 3.66Å; I241-I244 HydrophobicContact CD1-CG1 3.61Å; I241-I244 HydrophobicContact CG1-CG1 4.49Å; I241-I244 PolarHBondContact O-N 2.87Å; I244-I259 HydrophobicContact CB-CG2 4.4Å; I244-L266 HydrophobicContact CD1-CD2 3.97Å
245G79.6Confident81.9Confident0 Ų061.2 Ų61.20%033%0.331CS..SBendtrans-93.613.4-174.200000114.8I241 L291 D292I241-G245 WeakPolarHBondContact O-CA 3.34Å; I241-G245 PolarHBondContact O-N 2.83Å; G245-L291 CarbonylContact O-C 3.56Å; G245-L291 VanDerWaalsContact O-CA 3.32Å; G245-L291 WeakPolarHBondContact O-CA 3.44Å; G245-D292 PolarHBondContact O-N 3.16Å
246G77.6Confident81.6Confident28 Ų2863.6 Ų63.629%0.28934%0.343SS..BIsolated β-bridgetrans-59.5148.3-177.100000114.1T290G246-T290 CarbonylContact C-O 3.58Å; G246-T290 WeakPolarHBondContact CA-O 3.28Å
247R73.1Confident81.3Confident141 Ų14171.9 Ų71.953%0.53238%0.375SS..PPolyproline II helixtrans-57.3147.9175.1-72.4-176.2-173.6-169.43.2112.2F249 D289 T290R247-F249 WeakPolarHBondContact O-CD2 3.33Å; R247-F249 PolarHBondContact O-N 3.06Å; R247-D289 PolarHBondContact NE-O 3.15Å; R247-D289 PolarHBondContact NH2-O 3.44Å; R247-T290 PolarHBondContact N-O 3.39Å
248R70.1Confident80.9Confident162 Ų16273.4 Ų73.461%0.61138%0.382SS*.PPolyproline II helixtrans-61.1116.8175.7-64.2-177.5-174.4-166.5-0.7111.1
249F67.7Low80.6Confident144 Ų14475.3 Ų75.363%0.63239%0.392SS*.PPolyproline II helixtrans-89.1125.2162.5-63.3-77.1000109.1R247 E251R247-F249 WeakPolarHBondContact O-CD2 3.33Å; R247-F249 PolarHBondContact O-N 3.06Å; F249-E251 PolarHBondContact O-N 3.47Å
250T67.6Low80.4Confident154 Ų15476.9 Ų76.995%0.94540%0.398SS*.THydrogen-bonded Turntrans-64.6-23.4178.44.10000112.4
251E73.4Confident80.3Confident191 Ų19180.2 Ų80.289%0.89341%0.407SS*.THydrogen-bonded Turntrans-118.150.4178-68.2-175.2150.600111.7F249F249-E251 PolarHBondContact O-N 3.47Å
252G69.4Low80.2Confident18 Ų1880.3 Ų80.319%0.18641%0.408CS..  trans-74.5145.9178.100000113.9D256G252-D256 WeakPolarHBondContact CA-OD2 3.37Å
253T81.7Confident80.2Confident86 Ų8678 Ų7853%0.52840%0.396SS..  trans-65.2168.3168.765.50000111.1A255 D256 R257T253-A255 PolarHBondContact O-N 3.46Å; T253-D256 PolarHBondContact N-OD2 3.47Å; T253-D256 PolarHBondContact O-N 2.95Å; T253-D256 VanDerWaalsContact O-N 3.11Å; T253-D256 PolarHBondContact OG1-OD2 3.22Å; T253-R257 PolarHBondContact O-N 3.41Å
254S81.5Confident80.3Confident100 Ų10079.5 Ų79.570%0.69940%0.396SS*.Hα-helixtrans-57.2-29.9174.9-61.30000113.1R257 E258S254-R257 PolarHBondContact O-N 3.27Å; S254-E258 PolarHBondContact O-N 2.69Å
255A81.2Confident80.4Confident58 Ų5881.3 Ų81.348%0.47941%0.405SS..Hα-helixtrans-67.2-41.9176.300000111.6T253 R257 E258 I259T253-A255 PolarHBondContact O-N 3.46Å; A255-R257 VanDerWaalsContact C-N 3.26Å; A255-R257 PolarHBondContact O-N 2.94Å; A255-E258 WeakPolarHBondContact O-CB 3.4Å; A255-E258 PolarHBondContact O-N 3.26Å; A255-E258 VanDerWaalsContact O-N 3.1Å; A255-I259 PolarHBondContact O-N 3.43Å; A255-I259 VanDerWaalsContact O-N 3.09Å
256D83.7Confident80.9Confident51 Ų5181.3 Ų81.327%0.27341%0.405SS..Hα-helixtrans-63.4-34.6178.3-57.2-47.7000111.7G252 T253 E258 I259 Q260G252-D256 WeakPolarHBondContact CA-OD2 3.37Å; T253-D256 PolarHBondContact N-OD2 3.47Å; T253-D256 PolarHBondContact O-N 2.95Å; T253-D256 VanDerWaalsContact O-N 3.11Å; T253-D256 PolarHBondContact OG1-OD2 3.22Å; D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 3.24Å; D256-I259 PolarHBondContact O-N 2.66Å; D256-Q260 WeakPolarHBondContact O-CB 3.38Å; D256-Q260 VanDerWaalsContact O-CG 3.27Å; D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.4Å
257R83.9Confident81.4Confident174 Ų17480.2 Ų80.266%0.65739%0.392SS*.Hα-helixtrans-65.5-35.3175.9-64-179.6-174.9-175.4-0.3112.2T253 S254 A255 R261T253-R257 PolarHBondContact O-N 3.41Å; S254-R257 PolarHBondContact O-N 3.27Å; A255-R257 VanDerWaalsContact C-N 3.26Å; A255-R257 PolarHBondContact O-N 2.94Å; R257-R261 WeakPolarHBondContact O-CB 3.46Å; R257-R261 PolarHBondContact O-N 3.07Å
258E84.7Confident82.2Confident32 Ų3278.1 Ų78.115%0.1539%0.391CS..Hα-helixtrans-69.9-42.7175.8176157.2-145.200111.9I214 G215 S254 A255 D256 Q260 R261 T262I214-E258 VanDerWaalsContact CA-OE1 3.31Å; I214-E258 WeakPolarHBondContact CA-OE1 3.3Å; G215-E258 PolarHBondContact N-OE1 2.94Å; S254-E258 PolarHBondContact O-N 2.69Å; A255-E258 WeakPolarHBondContact O-CB 3.4Å; A255-E258 PolarHBondContact O-N 3.26Å; A255-E258 VanDerWaalsContact O-N 3.1Å; D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 3.24Å; E258-Q260 VanDerWaalsContact C-N 3.33Å; E258-Q260 PolarHBondContact O-N 2.91Å; E258-R261 PolarHBondContact O-N 3.45Å; E258-T262 PolarHBondContact O-N 3.49Å; E258-T262 PolarHBondContact O-OG1 3.47Å
259I86.4Confident83Confident42 Ų4271.8 Ų71.822%0.21537%0.369CS..Hα-helixtrans-61.1-45.1173.9-63.1169.7000110.1V210 I244 A255 D256 R261 T262 L263V210-I259 HydrophobicContact CG1-CG1 4.25Å; I244-I259 HydrophobicContact CB-CG2 4.4Å; A255-I259 PolarHBondContact O-N 3.43Å; A255-I259 VanDerWaalsContact O-N 3.09Å; D256-I259 PolarHBondContact O-N 2.66Å; I259-R261 VanDerWaalsContact C-N 3.34Å; I259-R261 PolarHBondContact O-N 3.09Å; I259-T262 WeakPolarHBondContact O-CB 3.38Å; I259-T262 PolarHBondContact O-N 3.05Å; I259-T262 VanDerWaalsContact O-N 3.14Å; I259-L263 PolarHBondContact O-N 3.24Å
260Q85.5Confident83.8Confident56 Ų5665.1 Ų65.126%0.26234%0.339SS..Hα-helixtrans-60.3-41.7175.9-76.21795.400112.5D256 E258 T262 L263 M264D256-Q260 WeakPolarHBondContact O-CB 3.38Å; D256-Q260 VanDerWaalsContact O-CG 3.27Å; D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.4Å; E258-Q260 VanDerWaalsContact C-N 3.33Å; E258-Q260 PolarHBondContact O-N 2.91Å; Q260-T262 VanDerWaalsContact C-N 3.29Å; Q260-T262 PolarHBondContact O-N 3.04Å; Q260-L263 PolarHBondContact O-N 3.49Å; Q260-M264 VanDerWaalsContact O-CG 3.28Å; Q260-M264 WeakPolarHBondContact O-CG 3.29Å; Q260-M264 PolarHBondContact O-N 3.33Å
261R87Confident84.3Confident156 Ų15661.1 Ų61.159%0.58931%0.313SS*.Hα-helixtrans-61.9-40.7175.7-175.1176.6-178.5170.20.6111.6R257 E258 I259 M264 E265R257-R261 WeakPolarHBondContact O-CB 3.46Å; R257-R261 PolarHBondContact O-N 3.07Å; E258-R261 PolarHBondContact O-N 3.45Å; I259-R261 VanDerWaalsContact C-N 3.34Å; I259-R261 PolarHBondContact O-N 3.09Å; R261-M264 PolarHBondContact O-N 3Å; R261-E265 PolarHBondContact O-N 3.36Å
262T89Confident84Confident1 Ų153 Ų531%0.00628%0.28CS..Hα-helixtrans-64-43.7176.8-56.20000111.1I209 S217 I221 E258 I259 Q260 E265 L266I209-T262 HydrophobicContact CG2-CG2 4.46Å; S217-T262 VanDerWaalsContact CB-OG1 3.22Å; S217-T262 WeakPolarHBondContact CB-OG1 3.47Å; I221-T262 HydrophobicContact CD1-CG2 3.33Å; I221-T262 HydrophobicContact CG1-CG2 4.24Å; E258-T262 PolarHBondContact O-N 3.49Å; E258-T262 PolarHBondContact O-OG1 3.47Å; I259-T262 WeakPolarHBondContact O-CB 3.38Å; I259-T262 PolarHBondContact O-N 3.05Å; I259-T262 VanDerWaalsContact O-N 3.14Å; Q260-T262 VanDerWaalsContact C-N 3.29Å; Q260-T262 PolarHBondContact O-N 3.04Å; T262-E265 PolarHBondContact O-N 3.47Å; T262-L266 PolarHBondContact O-N 3.08Å
263L88.8Confident82.9Confident2 Ų262.7 Ų62.71%0.0132%0.317CS..Hα-helixtrans-61.8-44.9173.8178.360.8000112.4I259 Q260 E265 L266 L267 D292 L295I259-L263 PolarHBondContact O-N 3.24Å; Q260-L263 PolarHBondContact O-N 3.49Å; L263-E265 VanDerWaalsContact C-N 3.27Å; L263-E265 PolarHBondContact O-N 3.37Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 2.85Å; L263-L267 HydrophobicContact CD1-CD1 4.48Å; L263-L267 HydrophobicContact CD1-CG 4.34Å; L263-L267 HydrophobicContact CG-CD1 4.25Å; L263-L267 VanDerWaalsContact O-CG 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.14Å; L263-L267 PolarHBondContact O-N 3.33Å; L263-D292 HydrophobicContact CD2-CB 4.05Å; L263-L295 HydrophobicContact CD1-CD1 3.7Å; L263-L295 HydrophobicContact CD1-CD2 3.99Å; L263-L295 HydrophobicContact CD1-CG 3.9Å
264M88.1Confident81.9Confident73 Ų7364 Ų6436%0.3632%0.321SS..Hα-helixtrans-62.7-36.6177.8-67.4-60.5154.600111.9Q260 R261 L267 N268Q260-M264 VanDerWaalsContact O-CG 3.28Å; Q260-M264 WeakPolarHBondContact O-CG 3.29Å; Q260-M264 PolarHBondContact O-N 3.33Å; R261-M264 PolarHBondContact O-N 3Å; M264-L267 PolarHBondContact O-N 3.46Å; M264-L267 HydrophobicContact SD-CD1 4.23Å; M264-N268 WeakPolarHBondContact O-CB 3.23Å; M264-N268 PolarHBondContact O-N 2.93Å
265E89Confident80.9Confident39 Ų3963.7 Ų63.718%0.18233%0.325CS..Hα-helixtrans-65.9-44.1174.4-172.359.4-144.500111.5A218 I221 R222 R261 T262 L263 L267 N268 Q269A218-E265 HydrophobicContact CB-CB 4.23Å; A218-E265 HydrophobicContact CB-CG 4.29Å; I221-E265 HydrophobicContact CG2-CG 4.38Å; R222-E265 VanDerWaalsContact CD-OE1 3.25Å; R222-E265 WeakPolarHBondContact CD-OE1 3.46Å; R222-E265 HydrophobicContact CG-CG 3.89Å; R222-E265 WeakPolarHBondContact CG-OE1 3.41Å; R261-E265 PolarHBondContact O-N 3.36Å; T262-E265 PolarHBondContact O-N 3.47Å; L263-E265 VanDerWaalsContact C-N 3.27Å; L263-E265 PolarHBondContact O-N 3.37Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3.21Å; E265-N268 PolarHBondContact O-N 2.87Å; E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.22Å; E265-Q269 PolarHBondContact OE1-NE2 3.04Å
266L89.8Confident80.1Confident0 Ų062 Ų620%031%0.308CS..Hα-helixtrans-54.9-50.2173.1178.955.9000111.4I221 F225 M238 I241 I244 T262 L263 N268 Q269 M270 M283I221-L266 HydrophobicContact CD1-CB 4.06Å; I221-L266 HydrophobicContact CG2-CB 4.37Å; I221-L266 HydrophobicContact CG2-CD1 4.37Å; F225-L266 HydrophobicContact CE2-CD1 3.59Å; F225-L266 HydrophobicContact CZ-CD1 3.87Å; M238-L266 HydrophobicContact CE-CD1 3.68Å; M238-L266 HydrophobicContact CE-CD2 4.41Å; M238-L266 HydrophobicContact SD-CD1 4.15Å; M238-L266 HydrophobicContact SD-CD2 3.97Å; I241-L266 HydrophobicContact CD1-CD2 4.1Å; I244-L266 HydrophobicContact CD1-CD2 3.97Å; T262-L266 PolarHBondContact O-N 3.08Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 2.85Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.29Å; L266-Q269 PolarHBondContact O-N 3.47Å; L266-M270 HydrophobicContact CD1-CG 4.5Å; L266-M270 HydrophobicContact CD1-SD 4.48Å; L266-M270 HydrophobicContact CG-SD 4.36Å; L266-M270 VanDerWaalsContact O-CG 3.31Å; L266-M270 WeakPolarHBondContact O-CG 3.33Å; L266-M270 PolarHBondContact O-N 3.43Å; L266-M283 HydrophobicContact CD2-CE 4.16Å
267L88.4Confident79.7Confident5 Ų561.8 Ų61.83%0.02632%0.317CS..Hα-helixtrans-60.2-41178.7-68.7177.1000112.1L263 M264 E265 M270 D271 A294 L295L263-L267 HydrophobicContact CD1-CD1 4.48Å; L263-L267 HydrophobicContact CD1-CG 4.34Å; L263-L267 HydrophobicContact CG-CD1 4.25Å; L263-L267 VanDerWaalsContact O-CG 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.14Å; L263-L267 PolarHBondContact O-N 3.33Å; M264-L267 PolarHBondContact O-N 3.46Å; M264-L267 HydrophobicContact SD-CD1 4.23Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3.21Å; L267-M270 PolarHBondContact O-N 3.28Å; L267-D271 PolarHBondContact O-N 2.96Å; L267-A294 HydrophobicContact CD1-CB 3.95Å; L267-L295 HydrophobicContact CD2-CD2 3.36Å; L267-L295 HydrophobicContact CD2-CG 3.88Å; L267-L295 HydrophobicContact CG-CD2 4.31Å
268N88.4Confident79.7Confident97 Ų9757.1 Ų57.152%0.51930%0.302SS..Hα-helixtrans-66.3-39.7177.8-169.930000112M264 E265 L266 M270 D271 G272M264-N268 WeakPolarHBondContact O-CB 3.23Å; M264-N268 PolarHBondContact O-N 2.93Å; E265-N268 PolarHBondContact O-N 2.87Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.29Å; N268-M270 VanDerWaalsContact C-N 3.31Å; N268-M270 PolarHBondContact O-N 3.44Å; N268-D271 PolarHBondContact O-N 3.4Å; N268-G272 WeakPolarHBondContact O-CA 3.45Å; N268-G272 PolarHBondContact O-N 3.49Å
269Q87.3Confident79.9Confident28 Ų2855.7 Ų55.713%0.13130%0.296CS..Hα-helixtrans-68.2-29.4175.8-66.2-57.1-39.100112.9I221 F225 E265 L266I221-Q269 HydrophobicContact CG2-CG 4.45Å; F225-Q269 HydrophobicContact CD1-CB 4.16Å; F225-Q269 HydrophobicContact CD2-CB 3.47Å; F225-Q269 VanDerWaalsContact CD2-CB 3.47Å; F225-Q269 HydrophobicContact CD2-CG 3.82Å; F225-Q269 HydrophobicContact CE1-CB 4.2Å; F225-Q269 HydrophobicContact CE2-CB 3.54Å; F225-Q269 HydrophobicContact CE2-CG 4.26Å; F225-Q269 HydrophobicContact CG-CB 3.8Å; F225-Q269 HydrophobicContact CG-CG 4.24Å; F225-Q269 HydrophobicContact CZ-CB 3.9Å; E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.22Å; E265-Q269 PolarHBondContact OE1-NE2 3.04Å; L266-Q269 PolarHBondContact O-N 3.47Å
270M84.4Confident80Confident4 Ų454.2 Ų54.22%0.0229%0.288CS..Hα-helixtrans-73.6-41.7174.5-69.8-179.371.500113.5K174 F225 L266 L267 N268 G272 L276 M281 M283 R300 L301K174-M270 PolarHBondContact NZ-O 2.99Å; F225-M270 HydrophobicContact CZ-CG 4.22Å; L266-M270 HydrophobicContact CD1-CG 4.5Å; L266-M270 HydrophobicContact CD1-SD 4.48Å; L266-M270 HydrophobicContact CG-SD 4.36Å; L266-M270 VanDerWaalsContact O-CG 3.31Å; L266-M270 WeakPolarHBondContact O-CG 3.33Å; L266-M270 PolarHBondContact O-N 3.43Å; L267-M270 PolarHBondContact O-N 3.28Å; N268-M270 VanDerWaalsContact C-N 3.31Å; N268-M270 PolarHBondContact O-N 3.44Å; M270-G272 VanDerWaalsContact C-N 3.3Å; M270-L276 VanDerWaalsContact O-CD1 3.29Å; M270-L276 WeakPolarHBondContact O-CD1 3.5Å; M270-M281 HydrophobicContact CE-CE 3.52Å; M270-M281 HydrophobicContact CG-CE 3.3Å; M270-M281 HydrophobicContact SD-CE 3.4Å; M270-M281 WeakPolarHBondContact SD-CE 3.49Å; M270-M283 HydrophobicContact CE-CE 4.03Å; M270-M283 HydrophobicContact SD-CE 3.68Å; M270-R300 HydrophobicContact CE-CB 3.71Å; M270-R300 HydrophobicContact CE-CG 4.47Å; M270-R300 VanDerWaalsContact CE-O 3.29Å; M270-R300 WeakPolarHBondContact CE-O 3.49Å; M270-L301 HydrophobicContact CE-CD2 4.07Å; M270-L301 HydrophobicContact CE-CG 4.27Å
271D79.1Confident80.3Confident71 Ų7152 Ų5238%0.3828%0.278SS..Hα-helixtrans-77.8-20.3179.7-75.3-8.3000112.6L267 N268 R300L267-D271 PolarHBondContact O-N 2.96Å; N268-D271 PolarHBondContact O-N 3.4Å; D271-R300 WeakPolarHBondContact OD1-CG 3.32Å; D271-R300 IonicContact OD1-CZ 2.69Å; D271-R300 IonicContact OD1-NE 2.66Å; D271-R300 PolarHBondContact OD1-NE 3.37Å; D271-R300 IonicContact OD2-CZ 3.96Å; D271-R300 VanDerWaalsContact OD2-CZ 3.26Å; D271-R300 IonicContact OD2-NE 3.19Å; D271-R300 PolarHBondContact OD2-NE 3.1Å; D271-R300 VanDerWaalsContact OD2-NE 3.07Å; D271-R300 IonicContact OD2-NH2 2.74Å; D271-R300 PolarHBondContact OD2-NH2 2.82Å
272G66.5Low80.5Confident20 Ų2044.6 Ų44.621%0.20625%0.25CS..  trans-36.2141.4-169.800000115.1N268 M270 D274N268-G272 WeakPolarHBondContact O-CA 3.45Å; N268-G272 PolarHBondContact O-N 3.49Å; M270-G272 VanDerWaalsContact C-N 3.3Å; G272-D274 PolarHBondContact O-N 2.84Å; G272-D274 VanDerWaalsContact O-N 3.14Å
273F46.8Very low80.7Confident221 Ų22144.6 Ų44.697%0.96925%0.25SC*.SBendtrans-59.6-23.4-177.4-71.9-86.7000113.9A275F273-A275 PolarHBondContact O-N 2.86Å
274D59.2Low80.9Confident114 Ų11444.6 Ų44.661%0.6125%0.25SC*.SBendtrans-75.1118.9172.3-64.9-30.4000108.5G272 L276G272-D274 PolarHBondContact O-N 2.84Å; G272-D274 VanDerWaalsContact O-N 3.14Å; D274-L276 PolarHBondContact O-N 2.84Å
275A62.3Low81.1Confident94 Ų9441.1 Ų41.178%0.77723%0.233SC*.  trans-49.3115.2168.700000107.9F273 G277F273-A275 PolarHBondContact O-N 2.86Å; A275-G277 PolarHBondContact O-N 3.35Å
276L63.8Low81.1Confident23 Ų2341.4 Ų41.412%0.1224%0.236CC..  trans-6277.3173.2-78.6150.3000107.4K174 F225 M270 D274 V279K174-L276 HydrophobicContact CD-CD1 3.94Å; F225-L276 HydrophobicContact CD1-CD2 4.12Å; F225-L276 HydrophobicContact CE1-CD2 4.09Å; M270-L276 VanDerWaalsContact O-CD1 3.29Å; M270-L276 WeakPolarHBondContact O-CD1 3.5Å; D274-L276 PolarHBondContact O-N 2.84Å; L276-V279 HydrophobicContact CD2-CB 4.28Å; L276-V279 HydrophobicContact CD2-CG1 4.41Å
277G74.4Confident80.9Confident45 Ų4547 Ų4746%0.46426%0.257SS..THydrogen-bonded Turntrans-43.6-83.5-160.300000113.3A275A275-G277 PolarHBondContact O-N 3.35Å
278Q83.9Confident80.8Confident76 Ų7647 Ų4736%0.35526%0.257SS..THydrogen-bonded Turntrans-112.334.1174-62.2-178.7-11.500111.8L159 Q232 P233 C234L159-Q278 HydrophobicContact CD2-CB 3.83Å; L159-Q278 HydrophobicContact CD2-CG 4.41Å; Q232-Q278 HydrophobicContact CB-CB 4.27Å; P233-Q278 HydrophobicContact CB-CB 4.03Å; C234-Q278 PolarHBondContact N-O 3.03Å; C234-Q278 VanDerWaalsContact N-O 3.14Å
279V88.7Confident80.7Confident3 Ų345.8 Ų45.82%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-99.5120.7176.2-176.70000109.1A228 Q232 C234 I236 L276A228-V279 HydrophobicContact CB-CG1 4.02Å; A228-V279 HydrophobicContact CB-CG2 4.28Å; Q232-V279 HydrophobicContact CG-CG2 3.81Å; C234-V279 WeakPolarHBondContact O-CA 3.32Å; I236-V279 HydrophobicContact CD1-CG1 3.94Å; I236-V279 HydrophobicContact CG1-CG1 4.25Å; L276-V279 HydrophobicContact CD2-CB 4.28Å; L276-V279 HydrophobicContact CD2-CG1 4.41Å
280K89.4Confident80.7Confident10 Ų1046.7 Ų46.74%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-112.9142.8177.4-62.7-56.8-173.8-172.70110.5L159 P173 C234 I235 I236L159-K280 HydrophobicContact CG-CG 4.49Å; P173-K280 PolarHBondContact O-NZ 3.22Å; C234-K280 PolarHBondContact O-N 3.43Å; I235-K280 CarbonylContact C-O 3.52Å; I235-K280 WeakPolarHBondContact CA-O 3.31Å; I235-K280 HydrophobicContact CG1-CB 4.49Å; I236-K280 PolarHBondContact N-O 2.76Å
281M90.7Very high80.8Confident10 Ų1046.6 Ų46.65%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-117.5136.6178-59.8-140.5-54.200112.4K174 G175 C176 F225 I236 M270 M283K174-M281 PolarHBondContact O-N 3.14Å; G175-M281 CarbonylContact C-O 3.55Å; G175-M281 WeakPolarHBondContact CA-O 3.44Å; C176-M281 PolarHBondContact N-O 3.29Å; F225-M281 HydrophobicContact CE1-CE 4.35Å; F225-M281 HydrophobicContact CE1-SD 3.58Å; F225-M281 VanDerWaalsContact CE1-SD 3.58Å; F225-M281 HydrophobicContact CE2-SD 4.46Å; F225-M281 HydrophobicContact CZ-CE 3.86Å; F225-M281 HydrophobicContact CZ-SD 3.37Å; F225-M281 WeakPolarHBondContact CZ-SD 3.19Å; I236-M281 HydrophobicContact CB-CG 4.17Å; I236-M281 HydrophobicContact CB-SD 4.17Å; I236-M281 HydrophobicContact CD1-CG 4.43Å; I236-M281 HydrophobicContact CD1-SD 4.01Å; I236-M281 HydrophobicContact CG2-SD 4.34Å; I236-M281 CarbonylContact O-C 3.48Å; I236-M281 WeakPolarHBondContact O-CA 3.26Å; M270-M281 HydrophobicContact CE-CE 3.52Å; M270-M281 HydrophobicContact CG-CE 3.3Å; M270-M281 HydrophobicContact SD-CE 3.4Å; M270-M281 WeakPolarHBondContact SD-CE 3.49Å; M281-M283 HydrophobicContact CE-CE 3.68Å
282I92.4Very high81.1Confident1 Ų143.8 Ų43.81%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-123.1120.3174.4-48.9178.5000106.8I155 C176 L178 A190 I235 I236 F237 M238I155-I282 HydrophobicContact CD1-CD1 3.31Å; I155-I282 HydrophobicContact CD1-CG1 3.6Å; C176-I282 WeakPolarHBondContact O-CA 3.38Å; L178-I282 HydrophobicContact CD1-CG2 3.76Å; L178-I282 HydrophobicContact CG-CG2 3.98Å; A190-I282 HydrophobicContact CB-CD1 4.32Å; A190-I282 HydrophobicContact CB-CG2 4.44Å; I235-I282 HydrophobicContact CG2-CD1 3.72Å; I235-I282 HydrophobicContact CG2-CG1 3.97Å; I236-I282 PolarHBondContact O-N 3.3Å; F237-I282 CarbonylContact C-O 3.47Å; F237-I282 WeakPolarHBondContact CA-O 3.3Å; F237-I282 HydrophobicContact CD2-CB 3.83Å; F237-I282 HydrophobicContact CD2-CG2 3.66Å; F237-I282 HydrophobicContact CE2-CG2 4Å; M238-I282 PolarHBondContact N-O 2.92Å
283M93.2Very high82Confident1 Ų146.9 Ų46.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-108.7137.8173.1-62.6-172.4-179.500109.2C176 L177 L178 M238 I241 L266 M270 M281 L295 L301C176-M283 PolarHBondContact O-N 2.82Å; L177-M283 CarbonylContact C-O 3.58Å; L177-M283 WeakPolarHBondContact CA-O 3.22Å; L177-M283 HydrophobicContact CD1-CB 3.85Å; L178-M283 PolarHBondContact N-O 2.66Å; M238-M283 HydrophobicContact CB-CG 4.33Å; M238-M283 CarbonylContact O-C 3.56Å; M238-M283 WeakPolarHBondContact O-CA 3.47Å; M238-M283 HydrophobicContact SD-CE 4.16Å; I241-M283 HydrophobicContact CD1-SD 4.09Å; I241-M283 HydrophobicContact CG1-SD 3.88Å; I241-M283 HydrophobicContact CG2-CB 4.35Å; L266-M283 HydrophobicContact CD2-CE 4.16Å; M270-M283 HydrophobicContact CE-CE 4.03Å; M270-M283 HydrophobicContact SD-CE 3.68Å; M281-M283 HydrophobicContact CE-CE 3.68Å; M283-L295 HydrophobicContact CE-CD2 4.39Å; M283-L295 HydrophobicContact SD-CD2 4.46Å; M283-L301 HydrophobicContact CE-CD2 4.27Å; M283-L301 HydrophobicContact CG-CD2 4.16Å; M283-L301 HydrophobicContact SD-CD1 3.82Å; M283-L301 HydrophobicContact SD-CD2 3.82Å; M283-L301 HydrophobicContact SD-CG 4.33Å
284A93.4Very high83.9Confident1 Ų137.3 Ų37.31%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-115.9132.8172.400000110.4L178 K186 F237 M238 E240 I241L178-A284 HydrophobicContact CB-CB 4.45Å; L178-A284 WeakPolarHBondContact O-CA 3.49Å; K186-A284 HydrophobicContact CB-CB 4.27Å; F237-A284 HydrophobicContact CE2-CB 3.93Å; F237-A284 HydrophobicContact CZ-CB 3.93Å; M238-A284 PolarHBondContact O-N 2.93Å; E240-A284 PolarHBondContact N-O 3.47Å; E240-A284 VanDerWaalsContact N-O 3.14Å; I241-A284 PolarHBondContact N-O 3.08Å; I241-A284 VanDerWaalsContact N-O 3.12Å
285T91.7Very high85.2Confident0 Ų032 Ų320%019%0.192CC..EExtended strand (participates in β ladder)trans-134.8140.3173.8-175.70000111L177 L178 Y179 K186 R287 P288 L291L177-T285 HydrophobicContact CD1-CG2 3.97Å; L178-T285 PolarHBondContact O-N 3.24Å; Y179-T285 WeakPolarHBondContact CA-O 3.47Å; K186-T285 PolarHBondContact NZ-O 3.36Å; T285-R287 PolarHBondContact OG1-N 3.31Å; T285-R287 PolarHBondContact OG1-O 2.74Å; T285-P288 HydrophobicContact CG2-CB 3.88Å; T285-L291 HydrophobicContact CG2-CD1 3.84Å
286N89.8Confident86.3Confident45 Ų4528.7 Ų28.724%0.24116%0.162CC..SBendtrans-85.6-18.6168.3-66-33.5000112.6K186 Y392K186-N286 PolarHBondContact NZ-OD1 3.24Å; N286-Y392 WeakPolarHBondContact O-CE1 3.35Å; N286-Y392 VanDerWaalsContact O-CZ 3.26Å; N286-Y392 PolarHBondContact O-OH 3.16Å
287R85.2Confident87.3Confident117 Ų11735.3 Ų35.344%0.44219%0.185SC..  trans-135.484.4-174.5-70.3-176.6-179.4179.51.3109.4T285 D289 T290 Y392T285-R287 PolarHBondContact OG1-N 3.31Å; T285-R287 PolarHBondContact OG1-O 2.74Å; R287-D289 WeakPolarHBondContact CA-OD1 3.39Å; R287-D289 WeakPolarHBondContact CB-OD1 3.45Å; R287-D289 PolarHBondContact O-N 3.3Å; R287-T290 HydrophobicContact CB-CG2 4.38Å; R287-T290 PolarHBondContact O-N 3.11Å; R287-T290 PolarHBondContact O-OG1 3.48Å; R287-Y392 HydrophobicContact CG-CE1 4.37Å
288P86.9Confident87.7Confident6 Ų638.6 Ų38.64%0.03920%0.198CC..G310 helixtrans-71.9-17.5-177.233-38.1000112.5Y179 T285 T290 L291 V395Y179-P288 HydrophobicContact CD2-CB 4.44Å; Y179-P288 HydrophobicContact CD2-CG 3.95Å; Y179-P288 HydrophobicContact CG-CB 4.39Å; Y179-P288 HydrophobicContact CG-CG 4.34Å; T285-P288 HydrophobicContact CG2-CB 3.88Å; P288-T290 VanDerWaalsContact C-N 3.33Å; P288-T290 PolarHBondContact O-N 3.24Å; P288-L291 WeakPolarHBondContact O-CB 3.41Å; P288-L291 PolarHBondContact O-N 2.95Å; P288-V395 HydrophobicContact CB-CG2 3.48Å; P288-V395 VanDerWaalsContact CB-CG2 3.48Å; P288-V395 HydrophobicContact CG-CG2 3.91Å
289D86.2Confident87.5Confident71 Ų7136.5 Ų36.538%0.3820%0.197SC..G310 helixtrans-65.6-33.4176.761.6-55.1000112.7R247 R287 L291R247-D289 PolarHBondContact NE-O 3.15Å; R247-D289 PolarHBondContact NH2-O 3.44Å; R287-D289 WeakPolarHBondContact CA-OD1 3.39Å; R287-D289 WeakPolarHBondContact CB-OD1 3.45Å; R287-D289 PolarHBondContact O-N 3.3Å; D289-L291 VanDerWaalsContact C-N 3.28Å; D289-L291 PolarHBondContact O-N 3.45Å
290T85.8Confident87.4Confident47 Ų4737.8 Ų37.829%0.28820%0.202SC..G310 helixtrans-80.4-7.1179.9560000113.6G246 R247 R287 P288G246-T290 CarbonylContact C-O 3.58Å; G246-T290 WeakPolarHBondContact CA-O 3.28Å; R247-T290 PolarHBondContact N-O 3.39Å; R287-T290 HydrophobicContact CB-CG2 4.38Å; R287-T290 PolarHBondContact O-N 3.11Å; R287-T290 PolarHBondContact O-OG1 3.48Å; P288-T290 VanDerWaalsContact C-N 3.33Å; P288-T290 PolarHBondContact O-N 3.24Å
291L86.6Confident87.2Confident2 Ų237.5 Ų37.51%0.0120%0.2CC..BIsolated β-bridgetrans-73.4145.9-178.3-62.7-178.7000112.7L177 I241 D242 G245 T285 P288 D289 P293 L296L177-L291 HydrophobicContact CD1-CD1 4.26Å; L177-L291 HydrophobicContact CD2-CD1 4.2Å; I241-L291 HydrophobicContact CG2-CD1 4.29Å; I241-L291 HydrophobicContact CG2-CD2 3.86Å; D242-L291 HydrophobicContact CB-CD2 4.28Å; G245-L291 CarbonylContact O-C 3.56Å; G245-L291 VanDerWaalsContact O-CA 3.32Å; G245-L291 WeakPolarHBondContact O-CA 3.44Å; T285-L291 HydrophobicContact CG2-CD1 3.84Å; P288-L291 WeakPolarHBondContact O-CB 3.41Å; P288-L291 PolarHBondContact O-N 2.95Å; D289-L291 VanDerWaalsContact C-N 3.28Å; D289-L291 PolarHBondContact O-N 3.45Å; L291-P293 WeakPolarHBondContact O-CD 3.34Å; L291-L296 HydrophobicContact CD1-CD2 4.47Å
292D86.6Confident86.9Confident13 Ų1339.9 Ų39.97%0.0721%0.213CC..  trans-63.5125.2171.8-168.7-33.2000109.5G245 L263 A294 L295G245-D292 PolarHBondContact O-N 3.16Å; L263-D292 HydrophobicContact CD2-CB 4.05Å; D292-A294 PolarHBondContact O-N 3.41Å; D292-A294 WeakPolarHBondContact OD1-CB 3.31Å; D292-A294 PolarHBondContact OD1-N 3.36Å; D292-L295 WeakPolarHBondContact O-CB 3.35Å; D292-L295 PolarHBondContact O-N 3.41Å
293P85.8Confident86.8Confident84 Ų8446.6 Ų46.655%0.54524%0.239SC..THydrogen-bonded Turntrans-52.6-23.4174-27.134.8000114.1L291 L295 L296 R297L291-P293 WeakPolarHBondContact O-CD 3.34Å; P293-L295 VanDerWaalsContact C-N 3.34Å; P293-L296 PolarHBondContact O-N 2.94Å; P293-R297 PolarHBondContact O-N 2.82Å
294A86Confident86.6Confident21 Ų2150.7 Ų50.717%0.17426%0.256CS..THydrogen-bonded Turntrans-62.1-38.4174.300000112.3L267 D292 L296 R300L267-A294 HydrophobicContact CD1-CB 3.95Å; D292-A294 PolarHBondContact O-N 3.41Å; D292-A294 WeakPolarHBondContact OD1-CB 3.31Å; D292-A294 PolarHBondContact OD1-N 3.36Å; A294-L296 VanDerWaalsContact C-N 3.32Å; A294-R300 VanDerWaalsContact C-NH1 3.32Å; A294-R300 VanDerWaalsContact O-CD 3.3Å; A294-R300 WeakPolarHBondContact O-CD 3.42Å; A294-R300 PolarHBondContact O-NH1 3.15Å
295L86Confident86.6Confident1 Ų150.8 Ų50.81%0.00526%0.257CS..THydrogen-bonded Turntrans-66-37.4175.7-78.3166.2000111.5I241 L263 L267 M283 D292 P293 R297 L301I241-L295 HydrophobicContact CG1-CD1 4.49Å; L263-L295 HydrophobicContact CD1-CD1 3.7Å; L263-L295 HydrophobicContact CD1-CD2 3.99Å; L263-L295 HydrophobicContact CD1-CG 3.9Å; L267-L295 HydrophobicContact CD2-CD2 3.36Å; L267-L295 HydrophobicContact CD2-CG 3.88Å; L267-L295 HydrophobicContact CG-CD2 4.31Å; M283-L295 HydrophobicContact CE-CD2 4.39Å; M283-L295 HydrophobicContact SD-CD2 4.46Å; D292-L295 WeakPolarHBondContact O-CB 3.35Å; D292-L295 PolarHBondContact O-N 3.41Å; P293-L295 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 2.94Å; L295-L301 HydrophobicContact CB-CD1 4.23Å; L295-L301 WeakPolarHBondContact O-CD1 3.29Å; L295-L301 WeakPolarHBondContact O-CG 3.22Å
296L85.3Confident86.5Confident26 Ų2655.5 Ų55.514%0.13628%0.279CS..THydrogen-bonded Turntrans-791-175.2-61.6175.4000114.3L177 L291 P293 A294 V395L177-L296 HydrophobicContact CD2-CD2 3.49Å; L177-L296 VanDerWaalsContact CD2-CD2 3.49Å; L291-L296 HydrophobicContact CD1-CD2 4.47Å; P293-L296 PolarHBondContact O-N 2.94Å; A294-L296 VanDerWaalsContact C-N 3.32Å; L296-V395 HydrophobicContact CD1-CG1 3.86Å
297R85.9Confident86.6Confident162 Ų16253.3 Ų53.361%0.61127%0.267SS*.SBendtrans-69.8135.4-179.6-174179.1-77.7-167.5-4.5110.5P293 L295 G299 R300P293-R297 PolarHBondContact O-N 2.82Å; L295-R297 PolarHBondContact O-N 2.94Å; R297-G299 PolarHBondContact O-N 3.21Å; R297-R300 PolarHBondContact O-N 3.35Å
298P82.6Confident86.8Confident113 Ų11350.2 Ų50.273%0.73426%0.262SS*.THydrogen-bonded Turntrans-54.1138.3171.7-2534.1000111.7
299G80.2Confident86.8Confident32 Ų3253.3 Ų53.333%0.3328%0.278SS..THydrogen-bonded Turntrans100.8-13.1-171.600000114.3K174 R297 D302K174-G299 WeakPolarHBondContact CD-O 3.42Å; R297-G299 PolarHBondContact O-N 3.21Å; G299-D302 VanDerWaalsContact CA-OD1 3.32Å; G299-D302 WeakPolarHBondContact CA-OD1 3.08Å; G299-D302 PolarHBondContact N-OD1 2.82Å
300R85.1Confident87Confident31 Ų3150.9 Ų50.912%0.11727%0.266CS..THydrogen-bonded Turntrans-113.3-65.3175.8-67.5169.6-179.7-177-3110.8M270 D271 A294 R297M270-R300 HydrophobicContact CE-CB 3.71Å; M270-R300 HydrophobicContact CE-CG 4.47Å; M270-R300 VanDerWaalsContact CE-O 3.29Å; M270-R300 WeakPolarHBondContact CE-O 3.49Å; D271-R300 WeakPolarHBondContact OD1-CG 3.32Å; D271-R300 IonicContact OD1-CZ 2.69Å; D271-R300 IonicContact OD1-NE 2.66Å; D271-R300 PolarHBondContact OD1-NE 3.37Å; D271-R300 IonicContact OD2-CZ 3.96Å; D271-R300 VanDerWaalsContact OD2-CZ 3.26Å; D271-R300 IonicContact OD2-NE 3.19Å; D271-R300 PolarHBondContact OD2-NE 3.1Å; D271-R300 VanDerWaalsContact OD2-NE 3.07Å; D271-R300 IonicContact OD2-NH2 2.74Å; D271-R300 PolarHBondContact OD2-NH2 2.82Å; A294-R300 VanDerWaalsContact C-NH1 3.32Å; A294-R300 VanDerWaalsContact O-CD 3.3Å; A294-R300 WeakPolarHBondContact O-CD 3.42Å; A294-R300 PolarHBondContact O-NH1 3.15Å; R297-R300 PolarHBondContact O-N 3.35Å
301L85.5Confident87.2Confident3 Ų354.4 Ų54.42%0.01628%0.283CS..SBendtrans-115.485.7175.4-63.9175.6000108.4L177 M270 M283 L295L177-L301 HydrophobicContact CB-CD1 4.27Å; L177-L301 HydrophobicContact CD1-CD1 4.44Å; M270-L301 HydrophobicContact CE-CD2 4.07Å; M270-L301 HydrophobicContact CE-CG 4.27Å; M283-L301 HydrophobicContact CE-CD2 4.27Å; M283-L301 HydrophobicContact CG-CD2 4.16Å; M283-L301 HydrophobicContact SD-CD1 3.82Å; M283-L301 HydrophobicContact SD-CD2 3.82Å; M283-L301 HydrophobicContact SD-CG 4.33Å; L295-L301 HydrophobicContact CB-CD1 4.23Å; L295-L301 WeakPolarHBondContact O-CD1 3.29Å; L295-L301 WeakPolarHBondContact O-CG 3.22Å
302D85.2Confident87.4Confident61 Ų6160.7 Ų60.733%0.32631%0.313SS..  trans-73.5-31.4-173.2-59.4-46.9000112.1P173 K174 G175 G299P173-D302 WeakPolarHBondContact CA-OD2 3.25Å; P173-D302 HydrophobicContact CB-CB 3.92Å; K174-D302 PolarHBondContact N-OD2 3.5Å; G175-D302 PolarHBondContact O-N 3.32Å; G299-D302 VanDerWaalsContact CA-OD1 3.32Å; G299-D302 WeakPolarHBondContact CA-OD1 3.08Å; G299-D302 PolarHBondContact N-OD1 2.82Å
303R89Confident87.6Confident141 Ų14165.5 Ų65.553%0.53233%0.334SS..EExtended strand (participates in β ladder)trans-117.4126.8-175.2-65.7-68.9-171.2175.72110.8V154 P173 G175 C176 L177V154-R303 HydrophobicContact CG2-CB 4.12Å; V154-R303 HydrophobicContact CG2-CG 3.63Å; P173-R303 HydrophobicContact CB-CG 4.42Å; G175-R303 PolarHBondContact O-N 3.24Å; C176-R303 CarbonylContact C-O 3.53Å; C176-R303 VanDerWaalsContact CA-O 3.28Å; C176-R303 WeakPolarHBondContact CA-O 3.45Å; C176-R303 HydrophobicContact CB-CB 4.23Å; L177-R303 PolarHBondContact N-O 2.82Å
304K90.7Very high87.9Confident87 Ų8761.9 Ų61.938%0.37831%0.312SS..EExtended strand (participates in β ladder)trans-116.9105178.4-58.1177.1-175.3176.90107L177 Y179L177-K304 CarbonylContact O-C 3.6Å; L177-K304 WeakPolarHBondContact O-CA 3.29Å; Y179-K304 HydrophobicContact CD1-CB 4.46Å; Y179-K304 HydrophobicContact CE1-CB 3.85Å
305I91.6Very high88.2Confident3 Ų361.5 Ų61.52%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-101.1115-177.1-55.5177.2000107.6Q147 E150 L151 L177 L178 Y179Q147-I305 HydrophobicContact CB-CG2 3.89Å; Q147-I305 HydrophobicContact CG-CG2 3.71Å; E150-I305 HydrophobicContact CB-CD1 4.02Å; E150-I305 HydrophobicContact CB-CG1 4.47Å; L151-I305 HydrophobicContact CB-CD1 4.05Å; L151-I305 HydrophobicContact CD1-CD1 4.07Å; L177-I305 PolarHBondContact O-N 3.06Å; L178-I305 HydrophobicContact CD2-CB 3.87Å; L178-I305 HydrophobicContact CD2-CD1 4.05Å; L178-I305 HydrophobicContact CD2-CG1 4.41Å; L178-I305 HydrophobicContact CD2-CG2 4.3Å; Y179-I305 WeakPolarHBondContact CD1-O 3.28Å; Y179-I305 PolarHBondContact N-O 3.41Å
306E91Very high88.5Confident99 Ų9962.9 Ų62.946%0.46331%0.312SS..EExtended strand (participates in β ladder)trans-80.4129171.3-168175.8177.400109.5Q147 Y179 P308Q147-E306 WeakPolarHBondContact CG-O 3.32Å; Q147-E306 PolarHBondContact NE2-O 3.02Å; Y179-E306 HydrophobicContact CD2-CG 4.28Å; Y179-E306 HydrophobicContact CE1-CB 4.06Å; Y179-E306 HydrophobicContact CE2-CB 3.84Å; Y179-E306 HydrophobicContact CE2-CG 3.69Å; E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å
307I90.9Very high88.8Confident0 Ų064.1 Ų64.10%032%0.319CS..  trans-106.393.8171.8-60.4171.2000106.8L144 Q147 L178 Y179 P181 T184 K186 L189L144-I307 HydrophobicContact CD1-CG2 4.13Å; L144-I307 HydrophobicContact CD2-CG2 3.85Å; Q147-I307 HydrophobicContact CG-CG1 4.35Å; L178-I307 HydrophobicContact CB-CD1 4.18Å; L178-I307 HydrophobicContact CD2-CD1 4.39Å; Y179-I307 PolarHBondContact O-N 3.46Å; P181-I307 WeakPolarHBondContact CD-O 3.4Å; T184-I307 WeakPolarHBondContact OG1-CG2 3.22Å; K186-I307 HydrophobicContact CB-CD1 4.06Å; K186-I307 HydrophobicContact CD-CD1 4.47Å; K186-I307 HydrophobicContact CG-CD1 3.73Å; L189-I307 HydrophobicContact CD1-CD1 4.3Å
308P89Confident89.1Confident51 Ų5157.1 Ų57.133%0.33129%0.294SS..PPolyproline II helixtrans-71.2173.9-178.131.9-36.7000111.2E306E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å
309L88.4Confident89.5Confident72 Ų7251.7 Ų51.738%0.37726%0.259SS..PPolyproline II helixtrans-63.2148.1166.5-68.3171.6000110P181 T184 N311 N345P181-L309 HydrophobicContact CB-CD2 4.25Å; P181-L309 HydrophobicContact CG-CD2 4.12Å; P181-L309 HydrophobicContact CG-CG 4.18Å; T184-L309 HydrophobicContact CG2-CD2 4.28Å; L309-N311 PolarHBondContact O-N 2.86Å; L309-N345 HydrophobicContact CD2-CB 4.18Å
310P89.5Confident90.1Very high20 Ų2054.7 Ų54.713%0.1326%0.263CS..PPolyproline II helixtrans-66128.4-177.626.5-34.6000112A314 R315 F344 L349P310-A314 HydrophobicContact CB-CB 3.7Å; P310-R315 HydrophobicContact CB-CG 3.84Å; P310-R315 HydrophobicContact CG-CG 3.82Å; P310-R315 PolarHBondContact O-NH1 3.46Å; P310-F344 VanDerWaalsContact CD-O 3.25Å; P310-F344 WeakPolarHBondContact CD-O 3.17Å; P310-F344 WeakPolarHBondContact CG-O 3.44Å; P310-L349 HydrophobicContact CG-CD1 4.49Å
311N90.1Very high90.4Very high120 Ų12055.7 Ų55.764%0.64227%0.27SS*.PPolyproline II helixtrans-61.9167.3168-66.6-20.6000111.6L309 Q313 A314 R315L309-N311 PolarHBondContact O-N 2.86Å; N311-Q313 VanDerWaalsContact C-N 3.3Å; N311-Q313 PolarHBondContact O-N 3.48Å; N311-A314 HydrophobicContact CB-CB 4.46Å; N311-A314 CarbonylContact O-C 3.53Å; N311-A314 WeakPolarHBondContact O-CA 3.43Å; N311-A314 WeakPolarHBondContact O-CB 3.45Å; N311-A314 PolarHBondContact O-N 2.91Å; N311-R315 WeakPolarHBondContact O-CG 3.46Å; N311-R315 PolarHBondContact O-N 2.94Å
312E90.7Very high90.7Very high135 Ų13558.4 Ų58.463%0.63128%0.283SS*.Hα-helixtrans-50.2-48178.6-71.5178.217400112.9A314 R315 M316 V338E312-A314 PolarHBondContact O-N 3.24Å; E312-R315 PolarHBondContact O-N 2.86Å; E312-M316 PolarHBondContact O-N 3.46Å; E312-M316 VanDerWaalsContact O-N 3.08Å; E312-V338 HydrophobicContact CB-CG1 4.08Å; E312-V338 HydrophobicContact CG-CG1 4.42Å; E312-V338 WeakPolarHBondContact O-CG1 3.47Å
313Q91.2Very high91Very high113 Ų11355.5 Ų55.553%0.52827%0.267SS..Hα-helixtrans-62.3-44176.3-171.760.237.700112.2N311 R315 M316 D317N311-Q313 VanDerWaalsContact C-N 3.3Å; N311-Q313 PolarHBondContact O-N 3.48Å; Q313-R315 VanDerWaalsContact C-N 3.34Å; Q313-R315 PolarHBondContact O-N 2.91Å; Q313-M316 WeakPolarHBondContact O-CB 3.25Å; Q313-M316 PolarHBondContact O-N 3.2Å; Q313-D317 PolarHBondContact NE2-OD1 2.94Å; Q313-D317 PolarHBondContact O-N 3.39Å
314A91.3Very high91Very high8 Ų852.3 Ų52.37%0.06627%0.271CS..Hα-helixtrans-63.3-39.1178.200000112G143 P310 N311 E312 M316 D317 V318G143-A314 VanDerWaalsContact CA-CB 3.49Å; P310-A314 HydrophobicContact CB-CB 3.7Å; N311-A314 HydrophobicContact CB-CB 4.46Å; N311-A314 CarbonylContact O-C 3.53Å; N311-A314 WeakPolarHBondContact O-CA 3.43Å; N311-A314 WeakPolarHBondContact O-CB 3.45Å; N311-A314 PolarHBondContact O-N 2.91Å; E312-A314 PolarHBondContact O-N 3.24Å; A314-M316 VanDerWaalsContact C-N 3.32Å; A314-M316 PolarHBondContact O-N 3.24Å; A314-D317 PolarHBondContact O-N 2.93Å; A314-V318 VanDerWaalsContact O-CG2 3.27Å; A314-V318 WeakPolarHBondContact O-CG2 3.46Å; A314-V318 PolarHBondContact O-N 3.38Å
315R92.4Very high91Very high13 Ų1353.6 Ų53.65%0.04929%0.289CS..Hα-helixtrans-62.3-42.3174.9-66.7-163.5-67-9313.4111.2P310 N311 E312 Q313 V318 L319 V338 S341 L349P310-R315 HydrophobicContact CB-CG 3.84Å; P310-R315 HydrophobicContact CG-CG 3.82Å; P310-R315 PolarHBondContact O-NH1 3.46Å; N311-R315 WeakPolarHBondContact O-CG 3.46Å; N311-R315 PolarHBondContact O-N 2.94Å; E312-R315 PolarHBondContact O-N 2.86Å; Q313-R315 VanDerWaalsContact C-N 3.34Å; Q313-R315 PolarHBondContact O-N 2.91Å; R315-V318 PolarHBondContact O-N 3.07Å; R315-L319 WeakPolarHBondContact O-CB 3.26Å; R315-L319 VanDerWaalsContact O-CG 3.28Å; R315-L319 WeakPolarHBondContact O-CG 3.4Å; R315-L319 PolarHBondContact O-N 2.96Å; R315-V338 HydrophobicContact CB-CG1 4.25Å; R315-V338 HydrophobicContact CB-CG2 4.35Å; R315-V338 PolarHBondContact NE-O 3.3Å; R315-V338 PolarHBondContact NH2-O 2.91Å; R315-S341 WeakPolarHBondContact CD-O 3.25Å; R315-S341 PolarHBondContact NE-O 2.83Å; R315-L349 HydrophobicContact CB-CD1 4.01Å; R315-L349 HydrophobicContact CG-CD1 4.04Å
316M92.1Very high91Very high30 Ų3055.4 Ų55.415%0.14830%0.298CS..Hα-helixtrans-60.1-46.3176.3-165.3-174.2-59.300111.6E312 Q313 A314 L319 K320 W334 E335 V338E312-M316 PolarHBondContact O-N 3.46Å; E312-M316 VanDerWaalsContact O-N 3.08Å; Q313-M316 WeakPolarHBondContact O-CB 3.25Å; Q313-M316 PolarHBondContact O-N 3.2Å; A314-M316 VanDerWaalsContact C-N 3.32Å; A314-M316 PolarHBondContact O-N 3.24Å; M316-L319 PolarHBondContact O-N 2.9Å; M316-K320 HydrophobicContact CG-CD 4.32Å; M316-K320 WeakPolarHBondContact O-CB 3.41Å; M316-K320 VanDerWaalsContact O-CG 3.31Å; M316-K320 WeakPolarHBondContact O-CG 3.31Å; M316-K320 PolarHBondContact O-N 2.86Å; M316-K320 PolarHBondContact SD-NZ 2.85Å; M316-K320 VanDerWaalsContact SD-NZ 3.36Å; M316-W334 HydrophobicContact CG-CB 4.35Å; M316-E335 HydrophobicContact CE-CG 4.35Å; M316-V338 HydrophobicContact CB-CG2 3.82Å; M316-V338 HydrophobicContact CG-CG2 4.24Å
317D91.9Very high91.1Very high52 Ų5253.6 Ų53.628%0.27830%0.3SS..Hα-helixtrans-65-45.5-179.4-65.6-21.3000111.6Q313 A314 L319 K320 I321Q313-D317 PolarHBondContact NE2-OD1 2.94Å; Q313-D317 PolarHBondContact O-N 3.39Å; A314-D317 PolarHBondContact O-N 2.93Å; D317-L319 PolarHBondContact O-N 2.93Å; D317-K320 PolarHBondContact O-N 2.97Å; D317-I321 VanDerWaalsContact O-CG1 3.29Å; D317-I321 WeakPolarHBondContact O-CG1 3.5Å; D317-I321 PolarHBondContact O-N 3.32Å
318V92.4Very high91Very high15 Ų1557 Ų579%0.09132%0.315CS..Hα-helixtrans-62.7-42.2177.8172.70000111.5A314 R315 I321 H322 L349A314-V318 VanDerWaalsContact O-CG2 3.27Å; A314-V318 WeakPolarHBondContact O-CG2 3.46Å; A314-V318 PolarHBondContact O-N 3.38Å; R315-V318 PolarHBondContact O-N 3.07Å; V318-I321 PolarHBondContact O-N 3.44Å; V318-H322 PolarHBondContact O-CD2 2.96Å; V318-H322 PolarHBondContact O-N 2.81Å; V318-L349 HydrophobicContact CB-CD1 3.81Å; V318-L349 HydrophobicContact CG1-CB 3.88Å; V318-L349 HydrophobicContact CG1-CD1 3.69Å; V318-L349 HydrophobicContact CG1-CG 4.45Å
319L92.3Very high90.9Very high0 Ų060.8 Ų60.80%033%0.327CS..Hα-helixtrans-61.9-44.5174.7-77.2167.5000111.5R315 M316 D317 I321 H322 A323 W334 V337 V338 L349 V352R315-L319 WeakPolarHBondContact O-CB 3.26Å; R315-L319 VanDerWaalsContact O-CG 3.28Å; R315-L319 WeakPolarHBondContact O-CG 3.4Å; R315-L319 PolarHBondContact O-N 2.96Å; M316-L319 PolarHBondContact O-N 2.9Å; D317-L319 PolarHBondContact O-N 2.93Å; L319-I321 VanDerWaalsContact C-N 3.34Å; L319-I321 PolarHBondContact O-N 2.87Å; L319-H322 PolarHBondContact O-N 2.92Å; L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3.44Å; L319-W334 HydrophobicContact CB-CE3 4.13Å; L319-W334 HydrophobicContact CB-CZ3 4.28Å; L319-V337 HydrophobicContact CD1-CB 4.49Å; L319-V337 HydrophobicContact CD1-CG1 3.68Å; L319-V337 HydrophobicContact CD2-CG1 4.41Å; L319-V338 HydrophobicContact CD1-CG2 3.85Å; L319-L349 HydrophobicContact CD1-CD2 4.15Å; L319-L349 HydrophobicContact CD2-CB 4.12Å; L319-L349 HydrophobicContact CD2-CD2 3.97Å; L319-L349 HydrophobicContact CG-CB 4.39Å; L319-L349 HydrophobicContact CG-CD2 3.94Å; L319-V352 HydrophobicContact CD2-CB 4.49Å; L319-V352 HydrophobicContact CD2-CG1 4.35Å
320K91.7Very high90.5Very high95 Ų9560.1 Ų60.141%0.41334%0.338SS..Hα-helixtrans-60.4-42.9177.5-76.4172.5179.9170.90111.8M316 D317 A323 A324M316-K320 HydrophobicContact CG-CD 4.32Å; M316-K320 WeakPolarHBondContact O-CB 3.41Å; M316-K320 VanDerWaalsContact O-CG 3.31Å; M316-K320 WeakPolarHBondContact O-CG 3.31Å; M316-K320 PolarHBondContact O-N 2.86Å; M316-K320 PolarHBondContact SD-NZ 2.85Å; M316-K320 VanDerWaalsContact SD-NZ 3.36Å; D317-K320 PolarHBondContact O-N 2.97Å; K320-A323 PolarHBondContact O-N 2.88Å; K320-A324 PolarHBondContact O-N 2.92Å
321I91.9Very high90.1Very high52 Ų5268.2 Ų68.227%0.26738%0.375SS..Hα-helixtrans-62-52.3177.6-67.4164.2000110.8D317 V318 L319 A323 A324D317-I321 VanDerWaalsContact O-CG1 3.29Å; D317-I321 WeakPolarHBondContact O-CG1 3.5Å; D317-I321 PolarHBondContact O-N 3.32Å; V318-I321 PolarHBondContact O-N 3.44Å; L319-I321 VanDerWaalsContact C-N 3.34Å; L319-I321 PolarHBondContact O-N 2.87Å; I321-A323 VanDerWaalsContact C-N 3.29Å; I321-A323 PolarHBondContact O-N 3.01Å; I321-A324 WeakPolarHBondContact O-CB 3.43Å; I321-A324 PolarHBondContact O-N 3.31Å
322H91.2Very high89.8Confident59 Ų5963.4 Ų63.427%0.27335%0.349SS..Hα-helixtrans-70.3-26.2-178.4-75.3-50.9000113.7V318 L319 P325 C353V318-H322 PolarHBondContact O-CD2 2.96Å; V318-H322 PolarHBondContact O-N 2.81Å; L319-H322 PolarHBondContact O-N 2.92Å; H322-P325 WeakPolarHBondContact O-CD 3.38Å; H322-C353 HydrophobicContact CB-CB 4.2Å
323A91.2Very high89.8Confident0 Ų060.4 Ų60.40%034%0.337CS..Hα-helixtrans-85.6-16.2178.200000112.6L319 K320 I321 P325 I326 K328 W334L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3.44Å; K320-A323 PolarHBondContact O-N 2.88Å; I321-A323 VanDerWaalsContact C-N 3.29Å; I321-A323 PolarHBondContact O-N 3.01Å; A323-P325 VanDerWaalsContact C-CD 3.5Å; A323-I326 PolarHBondContact O-N 3.43Å; A323-K328 VanDerWaalsContact CB-CE 3.48Å; A323-K328 WeakPolarHBondContact O-CE 3.16Å; A323-K328 PolarHBondContact O-NZ 3.03Å; A323-W334 HydrophobicContact CB-CH2 3.42Å; A323-W334 VanDerWaalsContact CB-CH2 3.42Å; A323-W334 HydrophobicContact CB-CZ2 4.15Å; A323-W334 HydrophobicContact CB-CZ3 4.06Å
324A89.8Confident89.7Confident75 Ų7557 Ų5762%0.6232%0.319SS*.THydrogen-bonded Turntrans-52-42.817900000115.1K320 I321 I326K320-A324 PolarHBondContact O-N 2.92Å; I321-A324 WeakPolarHBondContact O-CB 3.43Å; I321-A324 PolarHBondContact O-N 3.31Å; A324-I326 VanDerWaalsContact C-N 3.29Å; A324-I326 PolarHBondContact O-N 3.12Å
325P91.2Very high89.7Confident114 Ų11463.4 Ų63.474%0.7435%0.348SS*.THydrogen-bonded Turntrans-77.8-7.1177.930.3-36.9000114.7H322 A323H322-P325 WeakPolarHBondContact O-CD 3.38Å; A323-P325 VanDerWaalsContact C-CD 3.5Å
326I91.7Very high89.6Confident41 Ų4163.9 Ų63.921%0.2136%0.355CS..SBendtrans-88.4130.2-175.3-59.2179.8000109.7A323 A324 K328 C353 T368A323-I326 PolarHBondContact O-N 3.43Å; A324-I326 VanDerWaalsContact C-N 3.29Å; A324-I326 PolarHBondContact O-N 3.12Å; I326-K328 WeakPolarHBondContact O-CG 3.33Å; I326-K328 PolarHBondContact O-N 2.93Å; I326-C353 HydrophobicContact CD1-CB 3.73Å; I326-C353 WeakPolarHBondContact CD1-O 3.33Å; I326-T368 HydrophobicContact CG2-CG2 3.67Å; I326-T368 WeakPolarHBondContact CG2-OG1 3.45Å
327A92Very high89.6Confident61 Ų6162.5 Ų62.550%0.50435%0.348SS..  trans-66123.617100000110.3T368A327-T368 PolarHBondContact O-N 2.66Å; A327-T368 PolarHBondContact O-OG1 3.37Å
328K90.1Very high89.6Confident72 Ų7260.4 Ų60.431%0.31334%0.337SS..BIsolated β-bridgetrans-127.7145.9-175.2-63155.2-177.3176.70109.4A323 I326 I332 W334 T368A323-K328 VanDerWaalsContact CB-CE 3.48Å; A323-K328 WeakPolarHBondContact O-CE 3.16Å; A323-K328 PolarHBondContact O-NZ 3.03Å; I326-K328 WeakPolarHBondContact O-CG 3.33Å; I326-K328 PolarHBondContact O-N 2.93Å; K328-I332 HydrophobicContact CB-CD1 4.02Å; K328-I332 HydrophobicContact CD-CD1 3.69Å; K328-I332 HydrophobicContact CG-CD1 3.68Å; K328-W334 HydrophobicContact CD-CZ2 4.48Å; K328-T368 WeakPolarHBondContact CA-O 3.38Å; K328-T368 WeakPolarHBondContact CG-OG1 3.43Å
329H86.6Confident89.6Confident129 Ų12968 Ų6860%0.59737%0.368SS*.  trans-125.3128.5171.2-157.7-56.6000109.8Y367 T368H329-Y367 HydrophobicContact CB-CD2 3.44Å; H329-Y367 VanDerWaalsContact CB-CD2 3.44Å; H329-Y367 HydrophobicContact CB-CE2 3.91Å; H329-Y367 HydrophobicContact CB-CG 3.96Å; H329-T368 PolarHBondContact N-O 3.11Å
330G80.3Confident89.4Confident59 Ų5971.6 Ų71.661%0.60839%0.388SS*.SBendtrans94.3172-176.700000114.1
331E81.2Confident89.3Confident190 Ų19067.1 Ų67.189%0.88837%0.368SS*.  trans-80.9117.5172.2-66.7-175.8171.100108.4
332I83.7Confident89Confident19 Ų1970.5 Ų70.510%0.09739%0.387CS..  trans-90121.8176.4-60.6174.9000107.8K328 W334 F373K328-I332 HydrophobicContact CB-CD1 4.02Å; K328-I332 HydrophobicContact CD-CD1 3.69Å; K328-I332 HydrophobicContact CG-CD1 3.68Å; I332-W334 HydrophobicContact CB-CH2 4.48Å; I332-W334 HydrophobicContact CB-CZ2 3.9Å; I332-W334 HydrophobicContact CD1-CH2 4Å; I332-W334 HydrophobicContact CD1-CZ2 3.81Å; I332-W334 HydrophobicContact CG1-CZ2 4.45Å; I332-W334 HydrophobicContact CG2-CD2 4.02Å; I332-W334 HydrophobicContact CG2-CE3 4.17Å; I332-W334 HydrophobicContact CG2-CH2 3.98Å; I332-W334 HydrophobicContact CG2-CZ2 3.84Å; I332-W334 HydrophobicContact CG2-CZ3 4.16Å; I332-W334 VanDerWaalsContact O-CD1 3.27Å; I332-W334 PolarHBondContact O-N 3.34Å; I332-W334 PolarHBondContact O-NE1 2.77Å; I332-F373 HydrophobicContact CD1-CD2 3.93Å; I332-F373 HydrophobicContact CD1-CE2 3.51Å; I332-F373 HydrophobicContact CD1-CZ 4.24Å; I332-F373 HydrophobicContact CG2-CD2 4.45Å
333D88.8Confident88.7Confident72 Ų7269 Ų6939%0.38539%0.387SS..  trans-73.792.9170.5-176.16.2000110.6E335 A336 V337D333-E335 PolarHBondContact O-N 2.8Å; D333-E335 WeakPolarHBondContact OD1-CB 3.45Å; D333-E335 PolarHBondContact OD1-N 3.49Å; D333-A336 HydrophobicContact CB-CB 4.27Å; D333-A336 PolarHBondContact OD1-N 3.46Å; D333-A336 WeakPolarHBondContact OD2-CB 3.37Å; D333-V337 WeakPolarHBondContact O-CG2 3.46Å; D333-V337 PolarHBondContact O-N 2.96Å
334W90.2Very high88.6Confident42 Ų4269.1 Ų69.116%0.15939%0.387CS..Hα-helixtrans-66.7-24.4175.9-60.2102.2000112.5M316 L319 A323 K328 I332 V337 V338 F373M316-W334 HydrophobicContact CG-CB 4.35Å; L319-W334 HydrophobicContact CB-CE3 4.13Å; L319-W334 HydrophobicContact CB-CZ3 4.28Å; A323-W334 HydrophobicContact CB-CH2 3.42Å; A323-W334 VanDerWaalsContact CB-CH2 3.42Å; A323-W334 HydrophobicContact CB-CZ2 4.15Å; A323-W334 HydrophobicContact CB-CZ3 4.06Å; K328-W334 HydrophobicContact CD-CZ2 4.48Å; I332-W334 HydrophobicContact CB-CH2 4.48Å; I332-W334 HydrophobicContact CB-CZ2 3.9Å; I332-W334 HydrophobicContact CD1-CH2 4Å; I332-W334 HydrophobicContact CD1-CZ2 3.81Å; I332-W334 HydrophobicContact CG1-CZ2 4.45Å; I332-W334 HydrophobicContact CG2-CD2 4.02Å; I332-W334 HydrophobicContact CG2-CE3 4.17Å; I332-W334 HydrophobicContact CG2-CH2 3.98Å; I332-W334 HydrophobicContact CG2-CZ2 3.84Å; I332-W334 HydrophobicContact CG2-CZ3 4.16Å; I332-W334 VanDerWaalsContact O-CD1 3.27Å; I332-W334 PolarHBondContact O-N 3.34Å; I332-W334 PolarHBondContact O-NE1 2.77Å; W334-V337 PolarHBondContact O-N 3.05Å; W334-V338 WeakPolarHBondContact O-CB 3.3Å; W334-V338 WeakPolarHBondContact O-CG2 3.49Å; W334-V338 PolarHBondContact O-N 2.85Å; W334-F373 HydrophobicContact CH2-CE1 4.15Å; W334-F373 HydrophobicContact CH2-CZ 4.18Å; W334-F373 HydrophobicContact CZ3-CD1 4.33Å; W334-F373 HydrophobicContact CZ3-CE1 4.23Å
335E91.6Very high88.6Confident141 Ų14166.5 Ų66.566%0.65936%0.363SS*.Hα-helixtrans-68.7-42.9-179.8-59.9-174.8177.700110.6M316 D333 V337 V338 K339M316-E335 HydrophobicContact CE-CG 4.35Å; D333-E335 PolarHBondContact O-N 2.8Å; D333-E335 WeakPolarHBondContact OD1-CB 3.45Å; D333-E335 PolarHBondContact OD1-N 3.49Å; E335-V337 VanDerWaalsContact C-N 3.35Å; E335-V337 PolarHBondContact O-N 2.97Å; E335-V338 PolarHBondContact O-N 3.39Å; E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 PolarHBondContact O-N 3.26Å
336A90.6Very high88.5Confident24 Ų2461.9 Ų61.920%0.19834%0.337CS..Hα-helixtrans-59.7-43.5173.700000112.4D333 K339 L340 M374D333-A336 HydrophobicContact CB-CB 4.27Å; D333-A336 PolarHBondContact OD1-N 3.46Å; D333-A336 WeakPolarHBondContact OD2-CB 3.37Å; A336-K339 PolarHBondContact O-N 3.05Å; A336-L340 PolarHBondContact O-N 3.43Å; A336-M374 HydrophobicContact CB-CE 4.48Å; A336-M374 HydrophobicContact CB-SD 4.33Å
337V90.4Very high88.4Confident1 Ų161.9 Ų61.91%0.00634%0.343CS..Hα-helixtrans-64.9-42.1177.7178.20000111.1L319 D333 W334 E335 L340 S341 F373 M374 V377L319-V337 HydrophobicContact CD1-CB 4.49Å; L319-V337 HydrophobicContact CD1-CG1 3.68Å; L319-V337 HydrophobicContact CD2-CG1 4.41Å; D333-V337 WeakPolarHBondContact O-CG2 3.46Å; D333-V337 PolarHBondContact O-N 2.96Å; W334-V337 PolarHBondContact O-N 3.05Å; E335-V337 VanDerWaalsContact C-N 3.35Å; E335-V337 PolarHBondContact O-N 2.97Å; V337-L340 PolarHBondContact O-N 3.2Å; V337-S341 WeakPolarHBondContact O-CB 3.21Å; V337-S341 PolarHBondContact O-N 3.23Å; V337-S341 VanDerWaalsContact O-N 3.14Å; V337-S341 PolarHBondContact O-OG 3.22Å; V337-F373 HydrophobicContact CG2-CB 4.13Å; V337-M374 HydrophobicContact CG2-SD 4.28Å; V337-V377 HydrophobicContact CG1-CG2 3.71Å
338V92.3Very high88.4Confident7 Ų759.6 Ų59.64%0.04232%0.322CS..Hα-helixtrans-66.1-37.3178.1168.90000111.9E312 R315 M316 L319 W334 E335 L340 S341E312-V338 HydrophobicContact CB-CG1 4.08Å; E312-V338 HydrophobicContact CG-CG1 4.42Å; E312-V338 WeakPolarHBondContact O-CG1 3.47Å; R315-V338 HydrophobicContact CB-CG1 4.25Å; R315-V338 HydrophobicContact CB-CG2 4.35Å; R315-V338 PolarHBondContact NE-O 3.3Å; R315-V338 PolarHBondContact NH2-O 2.91Å; M316-V338 HydrophobicContact CB-CG2 3.82Å; M316-V338 HydrophobicContact CG-CG2 4.24Å; L319-V338 HydrophobicContact CD1-CG2 3.85Å; W334-V338 WeakPolarHBondContact O-CB 3.3Å; W334-V338 WeakPolarHBondContact O-CG2 3.49Å; W334-V338 PolarHBondContact O-N 2.85Å; E335-V338 PolarHBondContact O-N 3.39Å; V338-L340 VanDerWaalsContact C-N 3.34Å; V338-S341 VanDerWaalsContact CA-OG 3.26Å; V338-S341 WeakPolarHBondContact CA-OG 3.4Å; V338-S341 PolarHBondContact O-N 2.95Å; V338-S341 PolarHBondContact O-OG 2.93Å; V338-S341 VanDerWaalsContact O-OG 3.08Å
339K91.9Very high88.5Confident174 Ų17456.2 Ų56.276%0.75731%0.307SS*.Hα-helixtrans-68.1-32.1178.3-169171.8-175.1172.30112.9E335 A336E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 PolarHBondContact O-N 3.26Å; A336-K339 PolarHBondContact O-N 3.05Å
340L89.9Confident88.8Confident77 Ų7757.4 Ų57.440%0.40331%0.306SS..Hα-helixtrans-84.1-18.2176.3-71.2175.7000113.9A336 V337 V338 D342 M374 V377A336-L340 PolarHBondContact O-N 3.43Å; V337-L340 PolarHBondContact O-N 3.2Å; V338-L340 VanDerWaalsContact C-N 3.34Å; L340-D342 VanDerWaalsContact C-N 3.28Å; L340-D342 PolarHBondContact O-N 3.22Å; L340-M374 HydrophobicContact CD1-CE 3.39Å; L340-M374 HydrophobicContact CD1-SD 3.69Å; L340-V377 HydrophobicContact CB-CG1 3.58Å
341S87.8Confident89.5Confident0 Ų058.5 Ų58.50%030%0.298CS..  trans-92.236.1-177.250.90000113.3R315 V337 V338 G343 F344R315-S341 WeakPolarHBondContact CD-O 3.25Å; R315-S341 PolarHBondContact NE-O 2.83Å; V337-S341 WeakPolarHBondContact O-CB 3.21Å; V337-S341 PolarHBondContact O-N 3.23Å; V337-S341 VanDerWaalsContact O-N 3.14Å; V337-S341 PolarHBondContact O-OG 3.22Å; V338-S341 VanDerWaalsContact CA-OG 3.26Å; V338-S341 WeakPolarHBondContact CA-OG 3.4Å; V338-S341 PolarHBondContact O-N 2.95Å; V338-S341 PolarHBondContact O-OG 2.93Å; V338-S341 VanDerWaalsContact O-OG 3.08Å; S341-G343 PolarHBondContact O-N 3.41Å; S341-F344 WeakPolarHBondContact O-CB 3.35Å; S341-F344 WeakPolarHBondContact O-CD1 3.42Å; S341-F344 PolarHBondContact O-N 2.97Å
342D86.9Confident90.1Very high123 Ų12349.4 Ų49.466%0.65826%0.256SS*.THydrogen-bonded Turntrans-63.8133.7-180-168.523.3000111.9L340 F344L340-D342 VanDerWaalsContact C-N 3.28Å; L340-D342 PolarHBondContact O-N 3.22Å; D342-F344 VanDerWaalsContact C-N 3.27Å; D342-F344 WeakPolarHBondContact O-CD1 3.37Å; D342-F344 PolarHBondContact O-N 3.4Å
343G84.8Confident90.6Very high27 Ų2748.7 Ų48.728%0.27825%0.253SS..THydrogen-bonded Turntrans717.8-176.200000116S341 K384S341-G343 PolarHBondContact O-N 3.41Å; G343-K384 WeakPolarHBondContact O-CE 3.41Å; G343-K384 PolarHBondContact O-NZ 2.99Å
344F89.3Confident90.8Very high3 Ų349 Ų491%0.01326%0.257CS..  trans-69.6140.6179.9-79.734.2000111.4P310 S341 D342 D348 L349 V352 V377 I380 A381 K384P310-F344 VanDerWaalsContact CD-O 3.25Å; P310-F344 WeakPolarHBondContact CD-O 3.17Å; P310-F344 WeakPolarHBondContact CG-O 3.44Å; S341-F344 WeakPolarHBondContact O-CB 3.35Å; S341-F344 WeakPolarHBondContact O-CD1 3.42Å; S341-F344 PolarHBondContact O-N 2.97Å; D342-F344 VanDerWaalsContact C-N 3.27Å; D342-F344 WeakPolarHBondContact O-CD1 3.37Å; D342-F344 PolarHBondContact O-N 3.4Å; F344-D348 HydrophobicContact CB-CB 4Å; F344-D348 HydrophobicContact CD2-CB 3.77Å; F344-D348 HydrophobicContact CG-CB 4.04Å; F344-L349 HydrophobicContact CB-CD2 3.98Å; F344-L349 HydrophobicContact CB-CG 4.26Å; F344-L349 HydrophobicContact CD2-CD2 4.08Å; F344-L349 HydrophobicContact CG-CD2 4.48Å; F344-V352 HydrophobicContact CD2-CG2 4.07Å; F344-V352 HydrophobicContact CE2-CG2 3.72Å; F344-V377 HydrophobicContact CE2-CG1 4.36Å; F344-V377 HydrophobicContact CZ-CG1 4.21Å; F344-I380 HydrophobicContact CD2-CG2 4.29Å; F344-I380 HydrophobicContact CE2-CB 4.04Å; F344-I380 HydrophobicContact CE2-CG2 3.52Å; F344-I380 HydrophobicContact CZ-CB 4.19Å; F344-I380 HydrophobicContact CZ-CG2 3.78Å; F344-A381 HydrophobicContact CE1-CB 4.17Å; F344-A381 HydrophobicContact CZ-CB 3.96Å; F344-K384 HydrophobicContact CD1-CD 4.1Å; F344-K384 HydrophobicContact CE1-CD 4.28Å
345N89Confident91Very high20 Ų2049.3 Ų49.311%0.10726%0.261CS..  trans-85.8172.5170.568.636.1000110.1L309 A347 D348 L349L309-N345 HydrophobicContact CD2-CB 4.18Å; N345-A347 VanDerWaalsContact C-N 3.27Å; N345-A347 PolarHBondContact O-N 2.89Å; N345-A347 WeakPolarHBondContact OD1-CA 3.29Å; N345-A347 WeakPolarHBondContact OD1-CB 3.14Å; N345-A347 PolarHBondContact OD1-N 3.44Å; N345-D348 VanDerWaalsContact CG-CG 3.41Å; N345-D348 PolarHBondContact N-OD2 2.87Å; N345-D348 PolarHBondContact ND2-OD2 3.14Å; N345-D348 PolarHBondContact O-N 2.9Å; N345-D348 PolarHBondContact OD1-N 3.19Å; N345-D348 PolarHBondContact OD1-OD1 2.92Å; N345-D348 PolarHBondContact OD1-OD2 3.46Å; N345-L349 WeakPolarHBondContact O-CG 3.05Å; N345-L349 PolarHBondContact O-N 3.16Å
346G88.8Confident91.1Very high18 Ų1842.6 Ų42.619%0.18623%0.229CC..Hα-helixtrans-61.8-34-18000000113.3G183 L349 R350G183-G346 WeakPolarHBondContact O-CA 3.5Å; G183-G346 PolarHBondContact O-N 2.84Å; G183-G346 VanDerWaalsContact O-N 3.09Å; G346-L349 PolarHBondContact O-N 2.84Å; G346-R350 PolarHBondContact O-N 3.23Å
347A90.3Very high91.3Very high41 Ų4142.4 Ų42.434%0.33923%0.229SC..Hα-helixtrans-68.8-36.217600000112.8G183 N345 L349 R350 N351G183-A347 PolarHBondContact O-N 2.98Å; G183-A347 VanDerWaalsContact O-N 3.16Å; N345-A347 VanDerWaalsContact C-N 3.27Å; N345-A347 PolarHBondContact O-N 2.89Å; N345-A347 WeakPolarHBondContact OD1-CA 3.29Å; N345-A347 WeakPolarHBondContact OD1-CB 3.14Å; N345-A347 PolarHBondContact OD1-N 3.44Å; A347-L349 VanDerWaalsContact C-N 3.34Å; A347-R350 WeakPolarHBondContact O-CB 3.3Å; A347-R350 PolarHBondContact O-N 3.07Å; A347-N351 PolarHBondContact O-N 3.04Å
348D92.1Very high91.5Very high13 Ų1346.7 Ų46.77%0.0725%0.25CS..Hα-helixtrans-65.1-41.4176.8-60.6-27.7000110.1F344 N345 R350 N351 V352 I380 K384F344-D348 HydrophobicContact CB-CB 4Å; F344-D348 HydrophobicContact CD2-CB 3.77Å; F344-D348 HydrophobicContact CG-CB 4.04Å; N345-D348 VanDerWaalsContact CG-CG 3.41Å; N345-D348 PolarHBondContact N-OD2 2.87Å; N345-D348 PolarHBondContact ND2-OD2 3.14Å; N345-D348 PolarHBondContact O-N 2.9Å; N345-D348 PolarHBondContact OD1-N 3.19Å; N345-D348 PolarHBondContact OD1-OD1 2.92Å; N345-D348 PolarHBondContact OD1-OD2 3.46Å; D348-R350 VanDerWaalsContact C-N 3.33Å; D348-R350 PolarHBondContact O-N 2.94Å; D348-N351 CarbonylContact O-C 3.5Å; D348-N351 WeakPolarHBondContact O-CA 3.29Å; D348-N351 WeakPolarHBondContact O-CB 3.4Å; D348-N351 PolarHBondContact O-N 3.03Å; D348-V352 WeakPolarHBondContact O-CG2 3.24Å; D348-V352 PolarHBondContact O-N 3.22Å; D348-I380 HydrophobicContact CB-CG2 4.41Å; D348-K384 IonicContact OD2-NZ 2.69Å; D348-K384 PolarHBondContact OD2-NZ 3.15Å
349L92.6Very high91.6Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-64.4-38.1176-62.4174.1000111.8P310 R315 V318 L319 F344 N345 G346 A347 N351 V352 C353P310-L349 HydrophobicContact CG-CD1 4.49Å; R315-L349 HydrophobicContact CB-CD1 4.01Å; R315-L349 HydrophobicContact CG-CD1 4.04Å; V318-L349 HydrophobicContact CB-CD1 3.81Å; V318-L349 HydrophobicContact CG1-CB 3.88Å; V318-L349 HydrophobicContact CG1-CD1 3.69Å; V318-L349 HydrophobicContact CG1-CG 4.45Å; L319-L349 HydrophobicContact CD1-CD2 4.15Å; L319-L349 HydrophobicContact CD2-CB 4.12Å; L319-L349 HydrophobicContact CD2-CD2 3.97Å; L319-L349 HydrophobicContact CG-CB 4.39Å; L319-L349 HydrophobicContact CG-CD2 3.94Å; F344-L349 HydrophobicContact CB-CD2 3.98Å; F344-L349 HydrophobicContact CB-CG 4.26Å; F344-L349 HydrophobicContact CD2-CD2 4.08Å; F344-L349 HydrophobicContact CG-CD2 4.48Å; N345-L349 WeakPolarHBondContact O-CG 3.05Å; N345-L349 PolarHBondContact O-N 3.16Å; G346-L349 PolarHBondContact O-N 2.84Å; A347-L349 VanDerWaalsContact C-N 3.34Å; L349-N351 VanDerWaalsContact C-N 3.3Å; L349-N351 PolarHBondContact O-N 3.23Å; L349-V352 WeakPolarHBondContact O-CB 3.42Å; L349-V352 PolarHBondContact O-N 2.97Å; L349-C353 PolarHBondContact O-N 2.92Å
350R92.6Very high91.6Very high154 Ų15440.1 Ų40.158%0.58122%0.222SC*.Hα-helixtrans-61.9-39.5170-178.4-177172.3174.6-1111.6G346 A347 D348 V352 C353 T354G346-R350 PolarHBondContact O-N 3.23Å; A347-R350 WeakPolarHBondContact O-CB 3.3Å; A347-R350 PolarHBondContact O-N 3.07Å; D348-R350 VanDerWaalsContact C-N 3.33Å; D348-R350 PolarHBondContact O-N 2.94Å; R350-V352 VanDerWaalsContact C-N 3.35Å; R350-C353 PolarHBondContact O-N 3.46Å; R350-T354 PolarHBondContact O-N 3.06Å; R350-T354 VanDerWaalsContact O-N 3.11Å; R350-T354 PolarHBondContact O-OG1 2.69Å
351N93.7Very high91.9Very high82 Ų8242 Ų4244%0.43923%0.231SC..Hα-helixtrans-66.2-36.4176-73.5-14.6000111.6A347 D348 L349 C353 T354 E355 I380A347-N351 PolarHBondContact O-N 3.04Å; D348-N351 CarbonylContact O-C 3.5Å; D348-N351 WeakPolarHBondContact O-CA 3.29Å; D348-N351 WeakPolarHBondContact O-CB 3.4Å; D348-N351 PolarHBondContact O-N 3.03Å; L349-N351 VanDerWaalsContact C-N 3.3Å; L349-N351 PolarHBondContact O-N 3.23Å; N351-C353 VanDerWaalsContact C-N 3.35Å; N351-C353 PolarHBondContact O-N 3.26Å; N351-T354 PolarHBondContact O-N 2.89Å; N351-T354 VanDerWaalsContact O-N 3.14Å; N351-E355 WeakPolarHBondContact O-CB 3.5Å; N351-E355 WeakPolarHBondContact O-CG 3.49Å; N351-E355 PolarHBondContact O-N 3.28Å; N351-I380 VanDerWaalsContact C-CD1 3.4Å; N351-I380 HydrophobicContact CB-CD1 3.81Å
352V94.2Very high92.2Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-57.1-48.7174171.80000110.6L319 F344 D348 L349 R350 T354 E355 A356 F373 A376 V377 I380L319-V352 HydrophobicContact CD2-CB 4.49Å; L319-V352 HydrophobicContact CD2-CG1 4.35Å; F344-V352 HydrophobicContact CD2-CG2 4.07Å; F344-V352 HydrophobicContact CE2-CG2 3.72Å; D348-V352 WeakPolarHBondContact O-CG2 3.24Å; D348-V352 PolarHBondContact O-N 3.22Å; L349-V352 WeakPolarHBondContact O-CB 3.42Å; L349-V352 PolarHBondContact O-N 2.97Å; R350-V352 VanDerWaalsContact C-N 3.35Å; V352-T354 VanDerWaalsContact C-N 3.28Å; V352-T354 PolarHBondContact O-N 3Å; V352-E355 PolarHBondContact O-N 3.03Å; V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.37Å; V352-F373 HydrophobicContact CG1-CD1 4.44Å; V352-A376 HydrophobicContact CG1-CB 4.24Å; V352-A376 WeakPolarHBondContact O-CB 3.45Å; V352-V377 HydrophobicContact CG1-CG2 3.58Å; V352-V377 HydrophobicContact CG2-CG2 4.06Å; V352-I380 VanDerWaalsContact CA-CD1 3.43Å; V352-I380 HydrophobicContact CB-CD1 4.09Å; V352-I380 HydrophobicContact CG2-CD1 3.54Å
353C93.8Very high92.5Very high4 Ų446.6 Ų46.63%0.02725%0.251CS..Hα-helixtrans-61.6-37.7177.5-65.20000112.3H322 I326 L349 R350 N351 G357H322-C353 HydrophobicContact CB-CB 4.2Å; I326-C353 HydrophobicContact CD1-CB 3.73Å; I326-C353 WeakPolarHBondContact CD1-O 3.33Å; L349-C353 PolarHBondContact O-N 2.92Å; R350-C353 PolarHBondContact O-N 3.46Å; N351-C353 VanDerWaalsContact C-N 3.35Å; N351-C353 PolarHBondContact O-N 3.26Å; C353-G357 PolarHBondContact O-N 2.81Å
354T94.9Very high92.8Very high79 Ų7954.1 Ų54.149%0.48528%0.278SS..Hα-helixtrans-70.1-45.8179.6-53.80000111.6R350 N351 V352 A356 G357 M358R350-T354 PolarHBondContact O-N 3.06Å; R350-T354 VanDerWaalsContact O-N 3.11Å; R350-T354 PolarHBondContact O-OG1 2.69Å; N351-T354 PolarHBondContact O-N 2.89Å; N351-T354 VanDerWaalsContact O-N 3.14Å; V352-T354 VanDerWaalsContact C-N 3.28Å; V352-T354 PolarHBondContact O-N 3Å; T354-A356 VanDerWaalsContact C-N 3.34Å; T354-A356 PolarHBondContact O-N 3.14Å; T354-G357 PolarHBondContact O-N 3.21Å; T354-M358 WeakPolarHBondContact O-CG 3.19Å; T354-M358 PolarHBondContact O-N 3.5Å
355E94.3Very high92.9Very high48 Ų4856.4 Ų56.422%0.22429%0.287CS..Hα-helixtrans-64.6-37.2177.1-77.5-72.9173.400112.1N351 V352 G357 M358 F359 A376 K379 I380N351-E355 WeakPolarHBondContact O-CB 3.5Å; N351-E355 WeakPolarHBondContact O-CG 3.49Å; N351-E355 PolarHBondContact O-N 3.28Å; V352-E355 PolarHBondContact O-N 3.03Å; E355-G357 VanDerWaalsContact C-N 3.31Å; E355-G357 PolarHBondContact O-N 2.68Å; E355-M358 WeakPolarHBondContact O-CB 3.49Å; E355-M358 PolarHBondContact O-N 2.83Å; E355-M358 VanDerWaalsContact O-N 3.11Å; E355-F359 WeakPolarHBondContact O-CD2 3.31Å; E355-F359 PolarHBondContact O-N 2.87Å; E355-A376 HydrophobicContact CB-CB 3.71Å; E355-K379 IonicContact OE1-NZ 3.15Å; E355-K379 PolarHBondContact OE1-NZ 2.95Å; E355-K379 IonicContact OE2-NZ 2.77Å; E355-K379 PolarHBondContact OE2-NZ 3.24Å; E355-I380 HydrophobicContact CB-CD1 4.47Å; E355-I380 HydrophobicContact CG-CD1 4.16Å; E355-I380 HydrophobicContact CG-CG1 4.49Å
356A93.5Very high93.1Very high0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-59.1-43.4172.700000111.4V352 T354 M358 F359 A360 D372 F373 A376V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.37Å; T354-A356 VanDerWaalsContact C-N 3.34Å; T354-A356 PolarHBondContact O-N 3.14Å; A356-M358 VanDerWaalsContact C-N 3.34Å; A356-M358 PolarHBondContact O-N 2.85Å; A356-F359 PolarHBondContact O-N 2.78Å; A356-A360 PolarHBondContact O-N 3.32Å; A356-A360 VanDerWaalsContact O-N 3.16Å; A356-D372 HydrophobicContact CB-CB 4.27Å; A356-F373 HydrophobicContact CB-CD1 3.7Å; A356-F373 HydrophobicContact CB-CD2 4.23Å; A356-F373 HydrophobicContact CB-CE1 3.75Å; A356-F373 HydrophobicContact CB-CE2 4.26Å; A356-F373 HydrophobicContact CB-CG 3.95Å; A356-F373 HydrophobicContact CB-CZ 4.04Å; A356-A376 HydrophobicContact CB-CB 4.21Å
357G93.8Very high93.2Very high19 Ų1966.8 Ų66.820%0.19633%0.331CS..Hα-helixtrans-60.5-40.3172.200000113C353 T354 E355 F359 A360 I361C353-G357 PolarHBondContact O-N 2.81Å; T354-G357 PolarHBondContact O-N 3.21Å; E355-G357 VanDerWaalsContact C-N 3.31Å; E355-G357 PolarHBondContact O-N 2.68Å; G357-F359 VanDerWaalsContact C-N 3.35Å; G357-F359 PolarHBondContact O-N 3Å; G357-A360 PolarHBondContact O-N 2.91Å; G357-I361 WeakPolarHBondContact O-CG1 3.4Å; G357-I361 PolarHBondContact O-N 3.08Å
358M94.5Very high93.3Very high91 Ų9165 Ų6545%0.44832%0.316SS..Hα-helixtrans-65.2-35177-68.2-60.5-64.700113.1T354 E355 A356 I361 R362T354-M358 WeakPolarHBondContact O-CG 3.19Å; T354-M358 PolarHBondContact O-N 3.5Å; E355-M358 WeakPolarHBondContact O-CB 3.49Å; E355-M358 PolarHBondContact O-N 2.83Å; E355-M358 VanDerWaalsContact O-N 3.11Å; A356-M358 VanDerWaalsContact C-N 3.34Å; A356-M358 PolarHBondContact O-N 2.85Å; M358-I361 HydrophobicContact SD-CD1 4.33Å; M358-R362 WeakPolarHBondContact O-CB 3.43Å; M358-R362 PolarHBondContact O-N 3.04Å
359F94Very high93.3Very high39 Ų3966.8 Ų66.817%0.17133%0.325CS..Hα-helixtrans-67.5-39.4173.6-75.9-65.7000112.4E355 A356 G357 R362 A363 D372 K375 A376 K379E355-F359 WeakPolarHBondContact O-CD2 3.31Å; E355-F359 PolarHBondContact O-N 2.87Å; A356-F359 PolarHBondContact O-N 2.78Å; G357-F359 VanDerWaalsContact C-N 3.35Å; G357-F359 PolarHBondContact O-N 3Å; F359-R362 PolarHBondContact O-N 2.85Å; F359-A363 PolarHBondContact O-N 2.76Å; F359-A363 VanDerWaalsContact O-N 3.12Å; F359-D372 HydrophobicContact CB-CB 4.12Å; F359-K375 HydrophobicContact CD2-CB 4.2Å; F359-K375 HydrophobicContact CE2-CB 3.94Å; F359-K375 HydrophobicContact CZ-CB 4.1Å; F359-A376 HydrophobicContact CD2-CB 4.35Å; F359-A376 HydrophobicContact CE2-CB 4.22Å; F359-K379 HydrophobicContact CZ-CD 4.26Å
360A93.3Very high93.2Very high4 Ų470.6 Ų70.63%0.03334%0.343CS..Hα-helixtrans-62.3-45.9174.200000111.6A356 G357 R362 A363 E364 R365 Y367 T368A356-A360 PolarHBondContact O-N 3.32Å; A356-A360 VanDerWaalsContact O-N 3.16Å; G357-A360 PolarHBondContact O-N 2.91Å; A360-R362 VanDerWaalsContact C-N 3.35Å; A360-R362 PolarHBondContact O-N 2.89Å; A360-A363 CarbonylContact O-C 3.55Å; A360-A363 PolarHBondContact O-N 3.3Å; A360-A363 VanDerWaalsContact O-N 3.1Å; A360-E364 PolarHBondContact O-N 3.03Å; A360-R365 PolarHBondContact O-N 2.75Å; A360-Y367 WeakPolarHBondContact CB-O 3.38Å; A360-T368 HydrophobicContact CB-CG2 3.89Å
361I94.9Very high93.2Very high118 Ų11868.8 Ų68.861%0.60534%0.341SS*.Hα-helixtrans-60.8-43176.4-66.8166.6000111.1G357 M358 A363 E364G357-I361 WeakPolarHBondContact O-CG1 3.4Å; G357-I361 PolarHBondContact O-N 3.08Å; M358-I361 HydrophobicContact SD-CD1 4.33Å; I361-A363 PolarHBondContact O-N 2.83Å; I361-E364 PolarHBondContact O-N 2.89Å
362R94.3Very high93.2Very high167 Ų16765 Ų6563%0.6332%0.321SS*.Hα-helixtrans-64.6-25.9178-171.4178.6-65.41403.8112.8M358 F359 A360 E364M358-R362 WeakPolarHBondContact O-CB 3.43Å; M358-R362 PolarHBondContact O-N 3.04Å; F359-R362 PolarHBondContact O-N 2.85Å; A360-R362 VanDerWaalsContact C-N 3.35Å; A360-R362 PolarHBondContact O-N 2.89Å; R362-E364 VanDerWaalsContact C-N 3.32Å
363A93.5Very high93.1Very high52 Ų5265 Ų6543%0.4332%0.321SS..THydrogen-bonded Turntrans-91.48.917600000113.1F359 A360 I361 R365F359-A363 PolarHBondContact O-N 2.76Å; F359-A363 VanDerWaalsContact O-N 3.12Å; A360-A363 CarbonylContact O-C 3.55Å; A360-A363 PolarHBondContact O-N 3.3Å; A360-A363 VanDerWaalsContact O-N 3.1Å; I361-A363 PolarHBondContact O-N 2.83Å; A363-R365 HydrophobicContact CB-CG 4.41Å; A363-R365 PolarHBondContact O-N 3.35Å
364E92.3Very high93Very high185 Ų18566.8 Ų66.886%0.86433%0.329SS*.THydrogen-bonded Turntrans56.136.4-177.4-58.5179.9175.900113A360 I361 R362A360-E364 PolarHBondContact O-N 3.03Å; I361-E364 PolarHBondContact O-N 2.89Å; R362-E364 VanDerWaalsContact C-N 3.32Å
365R91.2Very high92.9Very high50 Ų5067.4 Ų67.419%0.18933%0.325CS..  trans-108.5138.8176.5-69-177.5-76.2122.2-7111.4A360 A363 Y367 D372A360-R365 PolarHBondContact O-N 2.75Å; A363-R365 HydrophobicContact CB-CG 4.41Å; A363-R365 PolarHBondContact O-N 3.35Å; R365-Y367 VanDerWaalsContact C-N 3.25Å; R365-Y367 PolarHBondContact NH1-O 2.95Å; R365-Y367 VanDerWaalsContact NH1-O 3.14Å; R365-Y367 PolarHBondContact O-N 2.71Å; R365-D372 IonicContact CZ-OD1 3.44Å; R365-D372 IonicContact CZ-OD2 3.09Å; R365-D372 VanDerWaalsContact CZ-OD2 3.31Å; R365-D372 IonicContact NH1-OD1 3.89Å; R365-D372 IonicContact NH1-OD2 2.76Å; R365-D372 PolarHBondContact NH1-OD2 3.39Å; R365-D372 VanDerWaalsContact NH2-CG 3.26Å; R365-D372 IonicContact NH2-OD1 3.26Å; R365-D372 PolarHBondContact NH2-OD1 3.36Å; R365-D372 IonicContact NH2-OD2 2.83Å; R365-D372 PolarHBondContact NH2-OD2 2.79Å
366D92.5Very high92.9Very high156 Ų15665.1 Ų65.183%0.83432%0.315SS*.SBendtrans-82.9-0.1174.9-60.5-22.1000113.3
367Y91.9Very high92.9Very high101 Ų10165.1 Ų65.140%0.39632%0.315SS..SBendtrans-138.4150.5-17858.7-92.4000111.8H329 A360 R365 I369H329-Y367 HydrophobicContact CB-CD2 3.44Å; H329-Y367 VanDerWaalsContact CB-CD2 3.44Å; H329-Y367 HydrophobicContact CB-CE2 3.91Å; H329-Y367 HydrophobicContact CB-CG 3.96Å; A360-Y367 WeakPolarHBondContact CB-O 3.38Å; R365-Y367 VanDerWaalsContact C-N 3.25Å; R365-Y367 PolarHBondContact NH1-O 2.95Å; R365-Y367 VanDerWaalsContact NH1-O 3.14Å; R365-Y367 PolarHBondContact O-N 2.71Å; Y367-I369 HydrophobicContact CD2-CG2 3.98Å; Y367-I369 HydrophobicContact CE2-CG2 3.81Å
368T91.6Very high92.8Very high4 Ų471.7 Ų71.73%0.02533%0.334CS..BIsolated β-bridgetrans-89.4144174.555.30000111.2I326 A327 K328 H329 A360I326-T368 HydrophobicContact CG2-CG2 3.67Å; I326-T368 WeakPolarHBondContact CG2-OG1 3.45Å; A327-T368 PolarHBondContact O-N 2.66Å; A327-T368 PolarHBondContact O-OG1 3.37Å; K328-T368 WeakPolarHBondContact CA-O 3.38Å; K328-T368 WeakPolarHBondContact CG-OG1 3.43Å; H329-T368 PolarHBondContact N-O 3.11Å; A360-T368 HydrophobicContact CB-CG2 3.89Å
369I91.9Very high92.7Very high49 Ų4971.9 Ų71.925%0.25133%0.332SS..  trans-114.6164.9172.763.9-179.6000110.3Y367 E371 D372Y367-I369 HydrophobicContact CD2-CG2 3.98Å; Y367-I369 HydrophobicContact CE2-CG2 3.81Å; I369-E371 VanDerWaalsContact C-N 3.25Å; I369-E371 HydrophobicContact CD1-CB 4.05Å; I369-E371 HydrophobicContact CD1-CG 4.36Å; I369-E371 HydrophobicContact CG1-CB 4.11Å; I369-E371 PolarHBondContact O-N 3.48Å; I369-D372 WeakPolarHBondContact CG1-OD2 3.08Å; I369-D372 PolarHBondContact N-OD2 3.19Å; I369-D372 WeakPolarHBondContact O-CB 3.43Å; I369-D372 PolarHBondContact O-N 3.07Å
370E91.3Very high92.6Very high80 Ų8070.9 Ų70.937%0.37433%0.328SS..Hα-helixtrans-52.4-41.2178.5-170.5-168.6166.100113D372 F373 M374E370-D372 PolarHBondContact O-N 2.91Å; E370-F373 PolarHBondContact O-N 3.31Å; E370-F373 VanDerWaalsContact O-N 3.16Å; E370-M374 PolarHBondContact O-N 3.29Å; E370-M374 VanDerWaalsContact O-N 3.09Å
371E91.3Very high92.4Very high116 Ų11671.7 Ų71.754%0.54234%0.335SS..Hα-helixtrans-59-32.2177.9-66.4-165.7178.700113.6I369 M374 K375I369-E371 VanDerWaalsContact C-N 3.25Å; I369-E371 HydrophobicContact CD1-CB 4.05Å; I369-E371 HydrophobicContact CD1-CG 4.36Å; I369-E371 HydrophobicContact CG1-CB 4.11Å; I369-E371 PolarHBondContact O-N 3.48Å; E371-M374 PolarHBondContact O-N 3.43Å; E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 VanDerWaalsContact O-CG 3.28Å; E371-K375 WeakPolarHBondContact O-CG 3.39Å; E371-K375 PolarHBondContact O-N 3.28Å; E371-K375 IonicContact OE2-NZ 2.85Å; E371-K375 PolarHBondContact OE2-NZ 2.89Å
372D93.2Very high92.1Very high3 Ų370.3 Ų70.32%0.01633%0.329CS..Hα-helixtrans-67.5-41-179.6-62.4-32.3000110.4A356 F359 R365 I369 E370 K375 A376A356-D372 HydrophobicContact CB-CB 4.27Å; F359-D372 HydrophobicContact CB-CB 4.12Å; R365-D372 IonicContact CZ-OD1 3.44Å; R365-D372 IonicContact CZ-OD2 3.09Å; R365-D372 VanDerWaalsContact CZ-OD2 3.31Å; R365-D372 IonicContact NH1-OD1 3.89Å; R365-D372 IonicContact NH1-OD2 2.76Å; R365-D372 PolarHBondContact NH1-OD2 3.39Å; R365-D372 VanDerWaalsContact NH2-CG 3.26Å; R365-D372 IonicContact NH2-OD1 3.26Å; R365-D372 PolarHBondContact NH2-OD1 3.36Å; R365-D372 IonicContact NH2-OD2 2.83Å; R365-D372 PolarHBondContact NH2-OD2 2.79Å; I369-D372 WeakPolarHBondContact CG1-OD2 3.08Å; I369-D372 PolarHBondContact N-OD2 3.19Å; I369-D372 WeakPolarHBondContact O-CB 3.43Å; I369-D372 PolarHBondContact O-N 3.07Å; E370-D372 PolarHBondContact O-N 2.91Å; D372-K375 PolarHBondContact O-N 3.23Å; D372-A376 VanDerWaalsContact O-CB 3.27Å; D372-A376 WeakPolarHBondContact O-CB 2.92Å; D372-A376 PolarHBondContact O-N 2.81Å
373F92.9Very high91.8Very high0 Ų065 Ų650%032%0.32CS..Hα-helixtrans-65.4-42.9174.5-71.9-84.6000111.2I332 W334 V337 V352 A356 E370 K375 A376 V377I332-F373 HydrophobicContact CD1-CD2 3.93Å; I332-F373 HydrophobicContact CD1-CE2 3.51Å; I332-F373 HydrophobicContact CD1-CZ 4.24Å; I332-F373 HydrophobicContact CG2-CD2 4.45Å; W334-F373 HydrophobicContact CH2-CE1 4.15Å; W334-F373 HydrophobicContact CH2-CZ 4.18Å; W334-F373 HydrophobicContact CZ3-CD1 4.33Å; W334-F373 HydrophobicContact CZ3-CE1 4.23Å; V337-F373 HydrophobicContact CG2-CB 4.13Å; V352-F373 HydrophobicContact CG1-CD1 4.44Å; A356-F373 HydrophobicContact CB-CD1 3.7Å; A356-F373 HydrophobicContact CB-CD2 4.23Å; A356-F373 HydrophobicContact CB-CE1 3.75Å; A356-F373 HydrophobicContact CB-CE2 4.26Å; A356-F373 HydrophobicContact CB-CG 3.95Å; A356-F373 HydrophobicContact CB-CZ 4.04Å; E370-F373 PolarHBondContact O-N 3.31Å; E370-F373 VanDerWaalsContact O-N 3.16Å; F373-K375 PolarHBondContact O-N 3.21Å; F373-A376 PolarHBondContact O-N 3.45Å; F373-V377 WeakPolarHBondContact O-CG2 2.93Å; F373-V377 PolarHBondContact O-N 2.8Å
374M92.4Very high91.3Very high41 Ų4165 Ų6520%0.20231%0.311CS..Hα-helixtrans-63.7-40.6177.9-68.5-66-82.600112.4A336 V337 L340 E370 E371 R378A336-M374 HydrophobicContact CB-CE 4.48Å; A336-M374 HydrophobicContact CB-SD 4.33Å; V337-M374 HydrophobicContact CG2-SD 4.28Å; L340-M374 HydrophobicContact CD1-CE 3.39Å; L340-M374 HydrophobicContact CD1-SD 3.69Å; E370-M374 PolarHBondContact O-N 3.29Å; E370-M374 VanDerWaalsContact O-N 3.09Å; E371-M374 PolarHBondContact O-N 3.43Å; M374-R378 WeakPolarHBondContact O-CG 3.33Å; M374-R378 PolarHBondContact O-N 2.78Å
375K92.7Very high90.6Very high92 Ų9263.7 Ų63.740%0.430%0.302SS..Hα-helixtrans-65.6-41.5173.8-72.3166.7-168.4155.70111.3F359 E371 D372 F373 R378 K379F359-K375 HydrophobicContact CD2-CB 4.2Å; F359-K375 HydrophobicContact CE2-CB 3.94Å; F359-K375 HydrophobicContact CZ-CB 4.1Å; E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 VanDerWaalsContact O-CG 3.28Å; E371-K375 WeakPolarHBondContact O-CG 3.39Å; E371-K375 PolarHBondContact O-N 3.28Å; E371-K375 IonicContact OE2-NZ 2.85Å; E371-K375 PolarHBondContact OE2-NZ 2.89Å; D372-K375 PolarHBondContact O-N 3.23Å; F373-K375 PolarHBondContact O-N 3.21Å; K375-R378 PolarHBondContact O-N 3.22Å; K375-K379 PolarHBondContact O-N 2.95Å; K375-K379 VanDerWaalsContact O-N 3.08Å
376A93.8Very high89.9Confident0 Ų068.7 Ų68.70%033%0.332CS..Hα-helixtrans-62.4-46.3177.700000112.9V352 E355 A356 F359 D372 F373 R378 K379 I380V352-A376 HydrophobicContact CG1-CB 4.24Å; V352-A376 WeakPolarHBondContact O-CB 3.45Å; E355-A376 HydrophobicContact CB-CB 3.71Å; A356-A376 HydrophobicContact CB-CB 4.21Å; F359-A376 HydrophobicContact CD2-CB 4.35Å; F359-A376 HydrophobicContact CE2-CB 4.22Å; D372-A376 VanDerWaalsContact O-CB 3.27Å; D372-A376 WeakPolarHBondContact O-CB 2.92Å; D372-A376 PolarHBondContact O-N 2.81Å; F373-A376 PolarHBondContact O-N 3.45Å; A376-R378 PolarHBondContact O-N 2.82Å; A376-K379 PolarHBondContact O-N 2.9Å; A376-I380 PolarHBondContact O-N 2.9Å
377V93.6Very high89Confident1 Ų166.9 Ų66.91%0.00632%0.319CS..Hα-helixtrans-61.2-44.4177.7177.10000111.2V337 L340 F344 V352 F373 K379 I380 A381V337-V377 HydrophobicContact CG1-CG2 3.71Å; L340-V377 HydrophobicContact CB-CG1 3.58Å; F344-V377 HydrophobicContact CE2-CG1 4.36Å; F344-V377 HydrophobicContact CZ-CG1 4.21Å; V352-V377 HydrophobicContact CG1-CG2 3.58Å; V352-V377 HydrophobicContact CG2-CG2 4.06Å; F373-V377 WeakPolarHBondContact O-CG2 2.93Å; F373-V377 PolarHBondContact O-N 2.8Å; V377-K379 PolarHBondContact O-N 3.01Å; V377-I380 PolarHBondContact O-N 2.81Å; V377-A381 VanDerWaalsContact O-CB 3.23Å; V377-A381 WeakPolarHBondContact O-CB 3.37Å; V377-A381 PolarHBondContact O-N 3.09Å
378R92.2Very high87.9Confident157 Ų15768.1 Ų68.159%0.59234%0.337SS*.Hα-helixtrans-60.9-45.3178.2-70.9179-171.51734.4112M374 K375 A376 I380 A381 D382M374-R378 WeakPolarHBondContact O-CG 3.33Å; M374-R378 PolarHBondContact O-N 2.78Å; K375-R378 PolarHBondContact O-N 3.22Å; A376-R378 PolarHBondContact O-N 2.82Å; R378-I380 PolarHBondContact O-N 3.15Å; R378-A381 PolarHBondContact O-N 2.92Å; R378-D382 PolarHBondContact O-N 2.9Å
379K92.3Very high86.7Confident94 Ų9476.8 Ų76.841%0.40937%0.374SS..Hα-helixtrans-58.7-46.3177.7-175.2-173.8177.5-1610111.8E355 F359 K375 A376 V377 D382 A383E355-K379 IonicContact OE1-NZ 3.15Å; E355-K379 PolarHBondContact OE1-NZ 2.95Å; E355-K379 IonicContact OE2-NZ 2.77Å; E355-K379 PolarHBondContact OE2-NZ 3.24Å; F359-K379 HydrophobicContact CZ-CD 4.26Å; K375-K379 PolarHBondContact O-N 2.95Å; K375-K379 VanDerWaalsContact O-N 3.08Å; A376-K379 PolarHBondContact O-N 2.9Å; V377-K379 PolarHBondContact O-N 3.01Å; K379-D382 PolarHBondContact O-N 2.87Å; K379-A383 PolarHBondContact O-N 3.14Å; K379-A383 VanDerWaalsContact O-N 3.13Å
380I91.3Very high85.1Confident18 Ų1878.7 Ų78.79%0.09238%0.384CS..Hα-helixtrans-71.8-37.6-179.9-67.9168.1000111.1F344 D348 N351 V352 E355 A376 V377 R378 D382 A383 K384F344-I380 HydrophobicContact CD2-CG2 4.29Å; F344-I380 HydrophobicContact CE2-CB 4.04Å; F344-I380 HydrophobicContact CE2-CG2 3.52Å; F344-I380 HydrophobicContact CZ-CB 4.19Å; F344-I380 HydrophobicContact CZ-CG2 3.78Å; D348-I380 HydrophobicContact CB-CG2 4.41Å; N351-I380 VanDerWaalsContact C-CD1 3.4Å; N351-I380 HydrophobicContact CB-CD1 3.81Å; V352-I380 VanDerWaalsContact CA-CD1 3.43Å; V352-I380 HydrophobicContact CB-CD1 4.09Å; V352-I380 HydrophobicContact CG2-CD1 3.54Å; E355-I380 HydrophobicContact CB-CD1 4.47Å; E355-I380 HydrophobicContact CG-CD1 4.16Å; E355-I380 HydrophobicContact CG-CG1 4.49Å; A376-I380 PolarHBondContact O-N 2.9Å; V377-I380 PolarHBondContact O-N 2.81Å; R378-I380 PolarHBondContact O-N 3.15Å; I380-D382 VanDerWaalsContact C-N 3.3Å; I380-D382 PolarHBondContact O-N 2.99Å; I380-A383 PolarHBondContact O-N 3.33Å; I380-K384 WeakPolarHBondContact O-CB 3.42Å; I380-K384 PolarHBondContact O-N 3.21Å
381A89.8Confident83.5Confident22 Ų2282.1 Ų82.118%0.18241%0.405CS..Hα-helixtrans-61.3-39.617600000111.6F344 V377 R378 K384 K385F344-A381 HydrophobicContact CE1-CB 4.17Å; F344-A381 HydrophobicContact CZ-CB 3.96Å; V377-A381 VanDerWaalsContact O-CB 3.23Å; V377-A381 WeakPolarHBondContact O-CB 3.37Å; V377-A381 PolarHBondContact O-N 3.09Å; R378-A381 PolarHBondContact O-N 2.92Å; A381-K384 PolarHBondContact O-N 3.09Å; A381-K385 WeakPolarHBondContact O-CG 3.32Å; A381-K385 PolarHBondContact O-N 2.9Å; A381-K385 VanDerWaalsContact O-N 3.14Å
382D88.3Confident82Confident89 Ų8979.8 Ų79.848%0.47639%0.392SS..Hα-helixtrans-70.6-37.8176.6-71.3-24.1000112.3R378 K379 I380 K384 K385R378-D382 PolarHBondContact O-N 2.9Å; K379-D382 PolarHBondContact O-N 2.87Å; I380-D382 VanDerWaalsContact C-N 3.3Å; I380-D382 PolarHBondContact O-N 2.99Å; D382-K384 VanDerWaalsContact C-N 3.35Å; D382-K385 PolarHBondContact O-N 2.95Å; D382-K385 IonicContact OD1-NZ 2.79Å; D382-K385 PolarHBondContact OD1-NZ 3.17Å
383A87.1Confident80.2Confident54 Ų5487.8 Ų87.845%0.44643%0.427SS..Hα-helixtrans-62.6-42.4171.400000111.7K379 I380 K385 L386K379-A383 PolarHBondContact O-N 3.14Å; K379-A383 VanDerWaalsContact O-N 3.13Å; I380-A383 PolarHBondContact O-N 3.33Å; A383-K385 VanDerWaalsContact C-N 3.31Å; A383-K385 PolarHBondContact O-N 3.33Å; A383-L386 WeakPolarHBondContact O-CB 3.37Å; A383-L386 PolarHBondContact O-N 2.91Å
384K83.1Confident78.6Confident52 Ų5292.6 Ų92.623%0.22646%0.457CS..Hα-helixtrans-66.5-29.5-179.1-171.6163.5-169.2151.50113.4G343 F344 D348 I380 A381 D382 L386 E387G343-K384 WeakPolarHBondContact O-CE 3.41Å; G343-K384 PolarHBondContact O-NZ 2.99Å; F344-K384 HydrophobicContact CD1-CD 4.1Å; F344-K384 HydrophobicContact CE1-CD 4.28Å; D348-K384 IonicContact OD2-NZ 2.69Å; D348-K384 PolarHBondContact OD2-NZ 3.15Å; I380-K384 WeakPolarHBondContact O-CB 3.42Å; I380-K384 PolarHBondContact O-N 3.21Å; A381-K384 PolarHBondContact O-N 3.09Å; D382-K384 VanDerWaalsContact C-N 3.35Å; K384-L386 PolarHBondContact O-N 3.24Å; K384-E387 WeakPolarHBondContact O-CB 3.39Å; K384-E387 PolarHBondContact O-N 3.28Å; K384-E387 VanDerWaalsContact O-N 3.08Å
385K78.2Confident76.7Confident159 Ų15995.5 Ų95.569%0.69148%0.478SS*.THydrogen-bonded Turntrans-62.6-23.6172.8-72.7168.7-166.6160.70112.8A381 D382 A383A381-K385 WeakPolarHBondContact O-CG 3.32Å; A381-K385 PolarHBondContact O-N 2.9Å; A381-K385 VanDerWaalsContact O-N 3.14Å; D382-K385 PolarHBondContact O-N 2.95Å; D382-K385 IonicContact OD1-NZ 2.79Å; D382-K385 PolarHBondContact OD1-NZ 3.17Å; A383-K385 VanDerWaalsContact C-N 3.31Å; A383-K385 PolarHBondContact O-N 3.33Å
386L76.6Confident75.9Confident155 Ų15595.7 Ų95.781%0.81248%0.481SS*.THydrogen-bonded Turntrans-82.8-18176.5-59.7168.4000112.3A383 K384A383-L386 WeakPolarHBondContact O-CB 3.37Å; A383-L386 PolarHBondContact O-N 2.91Å; K384-L386 PolarHBondContact O-N 3.24Å
387E74.4Confident75Confident118 Ų118100.7 Ų100.755%0.55151%0.507SS*.SBendtrans-74.6140.6179.3-64.1-172.1157.900111.3K384 K389K384-E387 WeakPolarHBondContact O-CB 3.39Å; K384-E387 PolarHBondContact O-N 3.28Å; K384-E387 VanDerWaalsContact O-N 3.08Å; E387-K389 PolarHBondContact O-N 3.18Å
388T68.4Low73.9Confident126 Ų126106.3 Ų106.377%0.77354%0.535SS*.  trans-65.4123.5175.4-46.90000109.2L390T388-L390 PolarHBondContact O-N 3.29Å
389K65.4Low72.9Confident186 Ų186103.3 Ų103.381%0.80953%0.531SS*.  trans-64.4105168.4-69.1-172.3179.1-1750108.4E387 D391E387-K389 PolarHBondContact O-N 3.18Å; K389-D391 PolarHBondContact O-N 3.23Å; K389-D391 VanDerWaalsContact O-N 3.16Å
390L58.2Low71.7Confident90 Ų90103.9 Ų103.947%0.47154%0.539SS..  trans-75.895.2168.1-85.6147.1000107.6T388 Y392T388-L390 PolarHBondContact O-N 3.29Å; L390-Y392 HydrophobicContact CB-CE2 4.07Å; L390-Y392 WeakPolarHBondContact O-CD2 3.42Å; L390-Y392 PolarHBondContact O-N 3.42Å
391D58.5Low70.3Confident151 Ų151109.6 Ų109.681%0.80757%0.569SS**  trans-71.5112169.6-75.4-26.1000108.8K389K389-D391 PolarHBondContact O-N 3.23Å; K389-D391 VanDerWaalsContact O-N 3.16Å
392Y59.5Low69Low67 Ų67115.9 Ų115.926%0.26360%0.596SS.*PPolyproline II helixtrans-82.2129.1175.5-73.8-72.5000110.5P181 P182 N286 R287 L390P181-Y392 HydrophobicContact CB-CE2 3.92Å; P181-Y392 HydrophobicContact CG-CD2 4.17Å; P181-Y392 HydrophobicContact CG-CE2 3.99Å; P182-Y392 VanDerWaalsContact CD-OH 3.29Å; P182-Y392 WeakPolarHBondContact CD-OH 3.2Å; N286-Y392 WeakPolarHBondContact O-CE1 3.35Å; N286-Y392 VanDerWaalsContact O-CZ 3.26Å; N286-Y392 PolarHBondContact O-OH 3.16Å; R287-Y392 HydrophobicContact CG-CE1 4.37Å; L390-Y392 HydrophobicContact CB-CE2 4.07Å; L390-Y392 WeakPolarHBondContact O-CD2 3.42Å; L390-Y392 PolarHBondContact O-N 3.42Å
393K56.5Low67.5Low172 Ų172117.9 Ų117.975%0.74861%0.605SS**PPolyproline II helixtrans-85.5124161.8-70.4-176178.8178.30107.9
394P58.5Low65.8Low100 Ų100123.3 Ų123.365%0.64962%0.619SS**PPolyproline II helixtrans-61.2153.117225.8-32.3000110.5
395V52.8Low64.3Low103 Ų103129.7 Ų129.762%0.62465%0.654SS**  trans-65.50178.4175.70000112.2P288 L296P288-V395 HydrophobicContact CB-CG2 3.48Å; P288-V395 VanDerWaalsContact CB-CG2 3.48Å; P288-V395 HydrophobicContact CG-CG2 3.91Å; L296-V395 HydrophobicContact CD1-CG1 3.86Å

Retrieved 395 of 395 residues in 144.6 ms (Link to these results)