A0A087YM81_POEFO Loading...

nucleoside diphosphate phosphatase

AlphaFold DB , UniProt , Accession A0A087YM81, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M54.9Low75Confident209 Ų209131.6 Ų131.6100%1.0367%0.67SS**  0-42.90-91160.374.800114.4S3 K4 M5M1-S3 PolarHBondContact O-N 3.48Å; M1-K4 PolarHBondContact O-N 3.14Å; M1-M5 WeakPolarHBondContact O-CG 3.41Å; M1-M5 PolarHBondContact O-N 3.41Å
2R58.8Low76.3Confident234 Ų234130 Ų13088%0.88366%0.663SS**Hα-helixtrans-59.9-39.7-176.2-78.5177.4165168.9-5.3116.2M5 A6R2-M5 PolarHBondContact O-N 3.18Å; R2-A6 PolarHBondContact O-N 3.32Å
3S62.3Low77.6Confident101 Ų101125.3 Ų125.371%0.70664%0.644SS**Hα-helixtrans-71-36.9-179.3163.30000113.7M1 M5 A6 A7M1-S3 PolarHBondContact O-N 3.48Å; S3-M5 VanDerWaalsContact C-N 3.35Å; S3-A6 PolarHBondContact O-N 3.09Å; S3-A7 PolarHBondContact O-N 3.47Å; S3-A7 VanDerWaalsContact O-N 3.14Å
4K69.4Low78.5Confident176 Ų176125.4 Ų125.477%0.76565%0.646SS**Hα-helixtrans-68.6-34175.9-67.1-171.5176.1-174.50112.3M1 L8M1-K4 PolarHBondContact O-N 3.14Å; K4-L8 WeakPolarHBondContact O-CB 3.38Å; K4-L8 PolarHBondContact O-N 3.33Å; K4-L8 VanDerWaalsContact O-N 3.09Å
5M74.1Confident79.3Confident132 Ų132121.7 Ų121.765%0.6563%0.631SS**Hα-helixtrans-67.7-37.8174.5-68.5-79.6-78.400111.9M1 R2 S3 L8 F9M1-M5 WeakPolarHBondContact O-CG 3.41Å; M1-M5 PolarHBondContact O-N 3.41Å; R2-M5 PolarHBondContact O-N 3.18Å; S3-M5 VanDerWaalsContact C-N 3.35Å; M5-L8 PolarHBondContact O-N 3.45Å; M5-F9 WeakPolarHBondContact O-CB 3.47Å; M5-F9 PolarHBondContact O-N 2.98Å
6A77.8Confident80Confident52 Ų52120.7 Ų120.743%0.4363%0.626SS.*Hα-helixtrans-67-41.6176.700000112.3R2 S3 F9 L10R2-A6 PolarHBondContact O-N 3.32Å; S3-A6 PolarHBondContact O-N 3.09Å; A6-F9 PolarHBondContact O-N 3.44Å; A6-L10 PolarHBondContact O-N 3.32Å
7A81.1Confident80.6Confident61 Ų61118.8 Ų118.850%0.50462%0.621SS.*Hα-helixtrans-64.7-40.1175.500000112.1S3 F9 L10 L11S3-A7 PolarHBondContact O-N 3.47Å; S3-A7 VanDerWaalsContact O-N 3.14Å; A7-F9 VanDerWaalsContact C-N 3.33Å; A7-L10 PolarHBondContact O-N 2.97Å; A7-L11 WeakPolarHBondContact O-CB 3.45Å; A7-L11 PolarHBondContact O-N 2.96Å
8L84.4Confident80.9Confident103 Ų103118.3 Ų118.354%0.53962%0.618SS.*Hα-helixtrans-65.5-38.7176-161.474.8000111.5K4 M5 L11 L12K4-L8 WeakPolarHBondContact O-CB 3.38Å; K4-L8 PolarHBondContact O-N 3.33Å; K4-L8 VanDerWaalsContact O-N 3.09Å; M5-L8 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.95Å
9F87.8Confident81Confident146 Ų146117.1 Ų117.164%0.6461%0.612SS**Hα-helixtrans-66.5-43.9176.5-162.8-96.3000112M5 A6 A7 L11 L12 V13M5-F9 WeakPolarHBondContact O-CB 3.47Å; M5-F9 PolarHBondContact O-N 2.98Å; A6-F9 PolarHBondContact O-N 3.44Å; A7-F9 VanDerWaalsContact C-N 3.33Å; F9-L11 VanDerWaalsContact C-N 3.35Å; F9-L11 PolarHBondContact O-N 3.28Å; F9-L12 PolarHBondContact O-N 3.27Å; F9-V13 HydrophobicContact CD1-CG2 4.14Å; F9-V13 HydrophobicContact CE1-CG2 3.98Å; F9-V13 WeakPolarHBondContact O-CG2 3.27Å; F9-V13 PolarHBondContact O-N 3.47Å
10L86.1Confident81Confident125 Ų125116.2 Ų116.265%0.65461%0.607SS**Hα-helixtrans-61.5-41.1174.6-99140.8000112.3A6 A7 V13 L14A6-L10 PolarHBondContact O-N 3.32Å; A7-L10 PolarHBondContact O-N 2.97Å; L10-V13 PolarHBondContact O-N 2.94Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 2.9Å
11L88.6Confident80.9Confident109 Ų109116.5 Ų116.557%0.57160%0.604SS**Hα-helixtrans-64.6-42.4175.7-162.683.8000111.3A7 L8 F9 L14 V15A7-L11 WeakPolarHBondContact O-CB 3.45Å; A7-L11 PolarHBondContact O-N 2.96Å; L8-L11 PolarHBondContact O-N 3.45Å; F9-L11 VanDerWaalsContact C-N 3.35Å; F9-L11 PolarHBondContact O-N 3.28Å; L11-L14 PolarHBondContact O-N 3.4Å; L11-V15 WeakPolarHBondContact O-CB 3.44Å; L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 2.93Å
12L90.6Very high81.8Confident112 Ų112111.2 Ų111.259%0.58658%0.58SS**Hα-helixtrans-62.2-41.6175.8-98.6148.5000112.3L8 F9 L16L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.95Å; F9-L12 PolarHBondContact O-N 3.27Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 3.42Å
13V92.4Very high82.4Confident69 Ų69106 Ų10642%0.41857%0.565SS.*Hα-helixtrans-65.8-42.4175175.60000110.8F9 L10 V15 L16 V17F9-V13 HydrophobicContact CD1-CG2 4.14Å; F9-V13 HydrophobicContact CE1-CG2 3.98Å; F9-V13 WeakPolarHBondContact O-CG2 3.27Å; F9-V13 PolarHBondContact O-N 3.47Å; L10-V13 PolarHBondContact O-N 2.94Å; V13-V15 PolarHBondContact O-N 2.86Å; V13-L16 PolarHBondContact O-N 2.9Å; V13-V17 HydrophobicContact CG1-CG2 4.38Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 2.92Å
14L90.2Very high82.3Confident126 Ų126111.4 Ų111.466%0.6657%0.57SS**Hα-helixtrans-63.5-42.7178.9-153.190.4000111.7L10 L11 V17 L18L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 2.9Å; L11-L14 PolarHBondContact O-N 3.4Å; L14-V17 PolarHBondContact O-N 3.27Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 PolarHBondContact O-N 2.81Å
15V90.6Very high81.6Confident71 Ų71110.4 Ų110.443%0.4357%0.566SS.*Hα-helixtrans-65.5-40.9175.6171.20000110.7L11 V13 L18 L19L11-V15 WeakPolarHBondContact O-CB 3.44Å; L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 2.93Å; V13-V15 PolarHBondContact O-N 2.86Å; V15-L18 PolarHBondContact O-N 3.34Å; V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CB 3.38Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.49Å
16L91Very high80.3Confident105 Ų105108.7 Ų108.755%0.5557%0.567SS.*Hα-helixtrans-64.3-42.1176.7-166.875.6000111.7L12 V13 L19 L20L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 3.42Å; V13-L16 PolarHBondContact O-N 2.9Å; L16-L19 PolarHBondContact O-N 2.89Å; L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 VanDerWaalsContact O-CG 3.24Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 3.28Å
17V90Very high78.7Confident89 Ų89110.8 Ų110.854%0.53958%0.578SS.*Hα-helixtrans-64.1-42.6175.6171.60000110.9V13 L14 L20 F21V13-V17 HydrophobicContact CG1-CG2 4.38Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 2.92Å; L14-V17 PolarHBondContact O-N 3.27Å; V17-L20 PolarHBondContact O-N 2.94Å; V17-F21 WeakPolarHBondContact O-CB 3.42Å; V17-F21 PolarHBondContact O-N 2.67Å
18L85.8Confident76.9Confident110 Ų110112.9 Ų112.958%0.57659%0.59SS**Hα-helixtrans-63.8-42.3176.5-164.479.4000111.5L14 V15 F21 L22L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 PolarHBondContact O-N 2.81Å; V15-L18 PolarHBondContact O-N 3.34Å; L18-F21 PolarHBondContact O-N 3.43Å; L18-L22 HydrophobicContact CG-CD1 4.26Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 3.38Å
19L82.6Confident74.8Confident95 Ų95112.8 Ų112.850%0.49760%0.597SS.*Hα-helixtrans-65.9-39.5176.5-73.5171.3000112.1V15 L16 F21 L22 Q23V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CB 3.38Å; V15-L19 VanDerWaalsContact O-CG 3.24Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 2.89Å; L19-F21 VanDerWaalsContact C-N 3.34Å; L19-L22 PolarHBondContact O-N 3.38Å; L19-Q23 WeakPolarHBondContact O-CB 3.41Å; L19-Q23 WeakPolarHBondContact O-CG 3.43Å; L19-Q23 PolarHBondContact O-N 2.86Å
20L81.7Confident72.3Confident98 Ų98115.4 Ų115.451%0.51360%0.604SS.*Hα-helixtrans-66.7-36173.9-71.9170.4000111.8L16 V17 R24L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 VanDerWaalsContact O-CG 3.24Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 3.28Å; V17-L20 PolarHBondContact O-N 2.94Å; L20-R24 PolarHBondContact O-N 3.32Å
21F78.9Confident69.9Low124 Ų124120.2 Ų120.254%0.54461%0.614SS.*Hα-helixtrans-68.1-43.3175.1-157.9-93.2000111.6V17 L18 L19 R24 F25V17-F21 WeakPolarHBondContact O-CB 3.42Å; V17-F21 PolarHBondContact O-N 2.67Å; L18-F21 PolarHBondContact O-N 3.43Å; L19-F21 VanDerWaalsContact C-N 3.34Å; F21-R24 WeakPolarHBondContact O-CB 3.25Å; F21-R24 PolarHBondContact O-N 3.05Å; F21-F25 HydrophobicContact CD1-CD2 4Å; F21-F25 HydrophobicContact CD1-CE2 4.17Å; F21-F25 AromaticContact CE1-CD2 3.76Å; F21-F25 HydrophobicContact CE1-CD2 3.76Å; F21-F25 AromaticContact CE1-CE2 3.45Å; F21-F25 HydrophobicContact CE1-CE2 3.45Å; F21-F25 VanDerWaalsContact CE1-CE2 3.45Å; F21-F25 HydrophobicContact CZ-CD2 4.44Å; F21-F25 AromaticContact CZ-CE2 3.85Å; F21-F25 HydrophobicContact CZ-CE2 3.85Å; F21-F25 PolarHBondContact O-N 3Å
22L73.3Confident67.5Low98 Ų98119.3 Ų119.351%0.51361%0.614SS.*Hα-helixtrans-67.4-35.6175-70.6171.2000112.1L18 L19 R24 F25 S26L18-L22 HydrophobicContact CG-CD1 4.26Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 3.38Å; L19-L22 PolarHBondContact O-N 3.38Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-F25 PolarHBondContact O-N 3.18Å; L22-S26 VanDerWaalsContact O-CB 3.25Å; L22-S26 WeakPolarHBondContact O-CB 3.37Å; L22-S26 PolarHBondContact O-N 3.46Å
23Q70.8Confident65.2Low125 Ų125118.9 Ų118.958%0.58462%0.618SS**Hα-helixtrans-65.2-35.6170.5-81.9-175-31.600112L19 F25 S26 S27L19-Q23 WeakPolarHBondContact O-CB 3.41Å; L19-Q23 WeakPolarHBondContact O-CG 3.43Å; L19-Q23 PolarHBondContact O-N 2.86Å; Q23-F25 VanDerWaalsContact C-N 3.35Å; Q23-S26 PolarHBondContact O-N 2.8Å; Q23-S27 VanDerWaalsContact O-CB 3.23Å; Q23-S27 WeakPolarHBondContact O-CB 3.23Å; Q23-S27 PolarHBondContact O-N 3.02Å; Q23-S27 PolarHBondContact O-OG 3.49Å
24R60.2Low62.6Low214 Ų214121.5 Ų121.581%0.80864%0.637SS**Hα-helixtrans-66.9-34.8174.3-125.1-176-176.4-178.71.6112.6L20 F21 L22L20-R24 PolarHBondContact O-N 3.32Å; F21-R24 WeakPolarHBondContact O-CB 3.25Å; F21-R24 PolarHBondContact O-N 3.05Å; L22-R24 VanDerWaalsContact C-N 3.33Å
25F55.3Low60.1Low155 Ų155124.4 Ų124.468%0.6865%0.647SS**Hα-helixtrans-78.7-33.5174.7-95-92.8000113.2F21 L22 Q23 S27F21-F25 HydrophobicContact CD1-CD2 4Å; F21-F25 HydrophobicContact CD1-CE2 4.17Å; F21-F25 AromaticContact CE1-CD2 3.76Å; F21-F25 HydrophobicContact CE1-CD2 3.76Å; F21-F25 AromaticContact CE1-CE2 3.45Å; F21-F25 HydrophobicContact CE1-CE2 3.45Å; F21-F25 VanDerWaalsContact CE1-CE2 3.45Å; F21-F25 HydrophobicContact CZ-CD2 4.44Å; F21-F25 AromaticContact CZ-CE2 3.85Å; F21-F25 HydrophobicContact CZ-CE2 3.85Å; F21-F25 PolarHBondContact O-N 3Å; L22-F25 PolarHBondContact O-N 3.18Å; Q23-F25 VanDerWaalsContact C-N 3.35Å; F25-S27 VanDerWaalsContact C-N 3.3Å; F25-S27 PolarHBondContact O-N 2.9Å
26S48Very low57.3Low96 Ų96132 Ų13267%0.67167%0.668SS**Hα-helixtrans-77.2-14.2176.3-176.40000113.5L22 Q23L22-S26 VanDerWaalsContact O-CB 3.25Å; L22-S26 WeakPolarHBondContact O-CB 3.37Å; L22-S26 PolarHBondContact O-N 3.46Å; Q23-S26 PolarHBondContact O-N 2.8Å
27S44.1Very low54.5Low95 Ų95133 Ų13366%0.66468%0.68SS**THydrogen-bonded Turntrans-103.721.4-178.6-49.70000113.9Q23 F25 S29Q23-S27 VanDerWaalsContact O-CB 3.23Å; Q23-S27 WeakPolarHBondContact O-CB 3.23Å; Q23-S27 PolarHBondContact O-N 3.02Å; Q23-S27 PolarHBondContact O-OG 3.49Å; F25-S27 VanDerWaalsContact C-N 3.3Å; F25-S27 PolarHBondContact O-N 2.9Å; S27-S29 PolarHBondContact O-N 3.43Å
28S42Very low51.7Low106 Ų106133.2 Ų133.274%0.74169%0.691SS**  trans-92.861.9159.3-162.60000109.5Y30S28-Y30 PolarHBondContact O-N 3.01Å
29S40.8Very low49.3Very low100 Ų100132.4 Ų132.470%0.69970%0.695SS**  trans-75.598.4157.7-73.90000106.8S27 R31S27-S29 PolarHBondContact O-N 3.43Å; S29-R31 PolarHBondContact O-N 3.33Å
30Y35.6Very low47.3Very low202 Ų202136.7 Ų136.779%0.79271%0.712SS**  trans-53.8104.4166.2-175.5-96.3000108.5S28 P32S28-Y30 PolarHBondContact O-N 3.01Å; Y30-P32 WeakPolarHBondContact O-CD 3.31Å
31R34.8Very low45Very low225 Ų225143 Ų14385%0.84973%0.729SS**  trans-83.8114.2169.2-86.4-177.4174.4179.7-1.4107.6S29S29-R31 PolarHBondContact O-N 3.33Å
32P37.9Very low43.3Very low90 Ų90143.5 Ų143.558%0.58474%0.742SS**PPolyproline II helixtrans-64.3149.616728-32000109.3Y30Y30-P32 WeakPolarHBondContact O-CD 3.31Å
33P44.2Very low41.9Very low103 Ų103141.5 Ų141.567%0.66975%0.746SS**PPolyproline II helixtrans-61.9153.7179.725.3-32.3000111.2H35P33-H35 PolarHBondContact O-N 3.21Å
34P35.9Very low40.2Very low124 Ų124141.9 Ų141.981%0.80576%0.759SS**PPolyproline II helixtrans-63.4129.2-176.625.7-32.2000110.6R36P34-R36 PolarHBondContact O-N 2.64Å
35H38.8Very low39.1Very low188 Ų188136.2 Ų136.287%0.8776%0.758SS**  trans-56.7106.5167.3-77.1-73.4000109.4P33P33-H35 PolarHBondContact O-N 3.21Å
36R31.1Very low38Very low231 Ų231140.3 Ų140.387%0.87277%0.769SS**  trans-68.1126.9153.7-92.9-179.1170.4171.7-2.3106.8P34 A38P34-R36 PolarHBondContact O-N 2.64Å; R36-A38 PolarHBondContact O-N 3.39Å
37P32.4Very low37.7Very low125 Ų125141.9 Ų141.981%0.81278%0.777SS**  trans-61.8115.116924.7-28.6000107S39P37-S39 PolarHBondContact O-N 3.2Å
38A32.4Very low37.8Very low94 Ų94141.1 Ų141.178%0.77778%0.783SS**  trans-62.1109.6168.800000106.5R36 H40R36-A38 PolarHBondContact O-N 3.39Å; A38-H40 PolarHBondContact O-N 3.47Å
39S33.6Very low37.6Very low93 Ų93141.8 Ų141.865%0.6579%0.788SS**  trans-54123.8165.761.70000107.4P37 R41P37-S39 PolarHBondContact O-N 3.2Å; S39-R41 VanDerWaalsContact C-N 3.33Å; S39-R41 PolarHBondContact O-N 2.93Å
40H42Very low37.7Very low184 Ų184140.7 Ų140.785%0.85278%0.78SS**  trans-50100.5163.4-97.7-72.2000108.8A38A38-H40 PolarHBondContact O-N 3.47Å
41R32.5Very low38.3Very low232 Ų232140.1 Ų140.188%0.87579%0.785SS**  trans-106.597.3153.8-84.3-172.3175.3-169-1106S39 G43S39-R41 VanDerWaalsContact C-N 3.33Å; S39-R41 PolarHBondContact O-N 2.93Å; R41-G43 PolarHBondContact O-N 3.27Å
42T44.2Very low39.2Very low133 Ų133131.5 Ų131.582%0.81677%0.766SS**  trans-59.188.5160.8440000108.5
43G42.3Very low40.3Very low57 Ų57134.6 Ų134.659%0.58878%0.778SS**PPolyproline II helixtrans-88.1146.2157.800000108.7R41 A45R41-G43 PolarHBondContact O-N 3.27Å; G43-A45 PolarHBondContact O-N 2.84Å
44P36.7Very low42Very low133 Ų133131 Ų13186%0.86476%0.759SS**PPolyproline II helixtrans-62.6132.1-176.526.9-31.6000109.5R46P44-R46 PolarHBondContact O-N 3.09Å
45A35.5Very low44.6Very low94 Ų94126.7 Ų126.778%0.77773%0.73SS**PPolyproline II helixtrans-50.1124.5173.200000109.7G43 P47G43-A45 PolarHBondContact O-N 2.84Å; A45-P47 WeakPolarHBondContact O-CD 3.42Å
46R33.9Very low47.2Very low242 Ų242120.2 Ų120.291%0.91370%0.699SS**PPolyproline II helixtrans-66.6122161.4-87.4-176.4168.7166.7-3.6107.1P44 G48P44-R46 PolarHBondContact O-N 3.09Å; R46-G48 PolarHBondContact O-N 3.41Å
47P41Very low50.3Low129 Ų129109.9 Ų109.984%0.83866%0.661SS**PPolyproline II helixtrans-74.9126.7175.429.3-28.7000109A45A45-P47 WeakPolarHBondContact O-CD 3.42Å
48G45.2Very low53.3Low78 Ų78104.1 Ų104.180%0.80462%0.624SS**  trans88.193.4160.800000116.7R46R46-G48 PolarHBondContact O-N 3.41Å
49S39.5Very low56.4Low120 Ų12099.7 Ų99.784%0.83959%0.587SS**  trans-132.396.5135.860.60000106.2E51S49-E51 PolarHBondContact O-N 3.43Å
50S42.1Very low59.5Low77 Ų7795.4 Ų95.454%0.53856%0.557SS.*  trans-58.7132.617641.50000109.4G52 D53S50-G52 PolarHBondContact O-N 3.17Å; S50-D53 PolarHBondContact O-N 2.84Å
51E48.8Very low62.1Low191 Ų19186.6 Ų86.689%0.89352%0.516SS*.THydrogen-bonded Turntrans-615.3167.7-74.5-169.3142.300113.5S49 L55S49-E51 PolarHBondContact O-N 3.43Å; E51-L55 WeakPolarHBondContact O-CD1 3.29Å
52G52.8Low65.1Low44 Ų4476.1 Ų76.145%0.45448%0.477SS..THydrogen-bonded Turntrans-110.2-6.3-179.400000115.6S50 G54S50-G52 PolarHBondContact O-N 3.17Å; G52-G54 PolarHBondContact O-N 2.82Å; G52-G54 VanDerWaalsContact O-N 3.09Å
53D62Low67.5Low154 Ų15469.8 Ų69.882%0.82444%0.438SS*.THydrogen-bonded Turntrans-8683.2-176.1-141.716.8000110.1S50S50-D53 PolarHBondContact O-N 2.84Å
54G80.2Confident69.5Low28 Ų2867.3 Ų67.329%0.28941%0.413SS..THydrogen-bonded Turntrans129.64.2177.900000115.6G52 M77G52-G54 PolarHBondContact O-N 2.82Å; G52-G54 VanDerWaalsContact O-N 3.09Å; G54-M77 WeakPolarHBondContact O-CB 2.95Å; G54-M77 PolarHBondContact O-N 3.46Å
55L90.3Very high71.4Confident34 Ų3463 Ų6318%0.17839%0.386CS..EExtended strand (participates in β ladder)trans-96.7129171.2-64.6177.2000110.7E51 Y57 R74 F75 R76 Q126E51-L55 WeakPolarHBondContact O-CD1 3.29Å; L55-Y57 HydrophobicContact CB-CE2 4.43Å; L55-R74 HydrophobicContact CD2-CG 4.36Å; L55-F75 WeakPolarHBondContact CA-O 3.4Å; L55-R76 HydrophobicContact CD2-CB 4.26Å; L55-Q126 PolarHBondContact O-NE2 2.83Å; L55-Q126 VanDerWaalsContact O-NE2 3.14Å
56Q92.7Very high73.5Confident51 Ų5162.7 Ų62.724%0.23838%0.375CS..EExtended strand (participates in β ladder)trans-120.4150.5171.4-71.5-174.31500110.3R74 F75 M77Q56-R74 CarbonylContact O-C 3.46Å; Q56-R74 WeakPolarHBondContact O-CA 3.23Å; Q56-F75 PolarHBondContact N-O 3.21Å; Q56-F75 PolarHBondContact O-N 2.96Å; Q56-M77 HydrophobicContact CB-CG 3.96Å; Q56-M77 HydrophobicContact CB-SD 4.03Å; Q56-M77 HydrophobicContact CG-CG 3.58Å; Q56-M77 HydrophobicContact CG-SD 4.15Å
57Y95.4Very high76.2Confident15 Ų1551.3 Ų51.36%0.05933%0.332CS..EExtended strand (participates in β ladder)trans-120.9149.8179.5-65.2-97.8000109.4L55 F73 R74 V122 Q126 P131L55-Y57 HydrophobicContact CB-CE2 4.43Å; Y57-F73 CarbonylContact C-O 3.46Å; Y57-F73 VanDerWaalsContact CA-O 3.23Å; Y57-F73 WeakPolarHBondContact CA-O 3.4Å; Y57-R74 HydrophobicContact CD1-CB 4.04Å; Y57-R74 HydrophobicContact CD1-CG 4.2Å; Y57-R74 HydrophobicContact CE1-CB 3.83Å; Y57-R74 HydrophobicContact CE1-CG 3.68Å; Y57-R74 VanDerWaalsContact OH-CD 3.26Å; Y57-R74 WeakPolarHBondContact OH-CD 3.5Å; Y57-V122 HydrophobicContact CD1-CG1 4.41Å; Y57-V122 HydrophobicContact CD1-CG2 4.06Å; Y57-V122 HydrophobicContact CD2-CG1 4.38Å; Y57-V122 HydrophobicContact CG-CG1 4.13Å; Y57-V122 HydrophobicContact CG-CG2 4.35Å; Y57-Q126 HydrophobicContact CD2-CB 4.27Å; Y57-Q126 HydrophobicContact CD2-CG 4.24Å; Y57-Q126 HydrophobicContact CE2-CG 4.14Å; Y57-P131 WeakPolarHBondContact O-CD 3.3Å
58G96.3Very high78.7Confident3 Ų345.2 Ų45.23%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-139.6135.2168.700000109.9F73G58-F73 PolarHBondContact N-O 3.39Å; G58-F73 PolarHBondContact O-N 3.13Å
59V98Very high81.1Confident2 Ų244.3 Ų44.31%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-108.5110.8176.5-1770000108.1F61 V70 H71 V72 A118 V122 T130 P131 V132 V133 F164V59-F61 HydrophobicContact CG1-CD2 4.05Å; V59-F61 HydrophobicContact CG1-CE2 3.62Å; V59-V70 HydrophobicContact CG1-CG2 3.66Å; V59-H71 CarbonylContact C-O 3.56Å; V59-H71 WeakPolarHBondContact CA-O 3.3Å; V59-V72 HydrophobicContact CG2-CG1 4.36Å; V59-V72 HydrophobicContact CG2-CG2 4.47Å; V59-A118 HydrophobicContact CG1-CB 3.88Å; V59-A118 HydrophobicContact CG2-CB 3.93Å; V59-V122 HydrophobicContact CG2-CG2 4.39Å; V59-T130 HydrophobicContact CG2-CG2 3.83Å; V59-P131 PolarHBondContact N-O 3.36Å; V59-V132 HydrophobicContact CB-CB 4.29Å; V59-V132 HydrophobicContact CB-CG2 4.12Å; V59-V132 HydrophobicContact CG1-CG2 3.95Å; V59-V132 WeakPolarHBondContact O-CA 3.34Å; V59-V133 PolarHBondContact O-N 2.88Å; V59-F164 HydrophobicContact CG2-CE1 4.37Å; V59-F164 HydrophobicContact CG2-CZ 4.48Å
60M97.8Very high83.8Confident2 Ų238.6 Ų38.61%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-113.7123.4-178.8-178.559.467.100110.3H71 F73 V133 K135 W395 A396 A399 A400M60-H71 HydrophobicContact CB-CB 4.47Å; M60-H71 PolarHBondContact N-O 2.76Å; M60-H71 PolarHBondContact O-N 3.48Å; M60-F73 HydrophobicContact CB-CE2 4.23Å; M60-V133 CarbonylContact C-O 3.07Å; M60-V133 HydrophobicContact CE-CB 3.87Å; M60-V133 HydrophobicContact CE-CG1 3.8Å; M60-V133 HydrophobicContact SD-CB 4.04Å; M60-V133 HydrophobicContact SD-CG1 3.89Å; M60-K135 HydrophobicContact SD-CG 4.23Å; M60-W395 HydrophobicContact CG-CZ3 4.16Å; M60-W395 HydrophobicContact SD-CH2 4.46Å; M60-W395 HydrophobicContact SD-CZ3 3.98Å; M60-A396 HydrophobicContact CG-CB 4.01Å; M60-A399 HydrophobicContact CE-CB 3.84Å; M60-A400 HydrophobicContact CB-CB 4.29Å; M60-A400 HydrophobicContact CE-CB 4.19Å
61F97.8Very high86.5Confident0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-99.1123172.3-75.8-114.1000110V59 T68 R69 V70 I111 L114 L115 V132 V133 L134 K135 F159V59-F61 HydrophobicContact CG1-CD2 4.05Å; V59-F61 HydrophobicContact CG1-CE2 3.62Å; F61-T68 HydrophobicContact CD1-CG2 4.26Å; F61-R69 CarbonylContact C-O 3.53Å; F61-R69 WeakPolarHBondContact CA-O 3.48Å; F61-V70 HydrophobicContact CD1-CB 4.3Å; F61-V70 HydrophobicContact CD1-CG2 4.42Å; F61-V70 HydrophobicContact CD2-CG2 3.8Å; F61-V70 HydrophobicContact CE1-CB 4.18Å; F61-V70 HydrophobicContact CE1-CG2 4.19Å; F61-V70 HydrophobicContact CE2-CB 4.35Å; F61-V70 HydrophobicContact CE2-CG2 3.5Å; F61-V70 HydrophobicContact CG-CB 4.47Å; F61-V70 HydrophobicContact CG-CG2 4.25Å; F61-V70 HydrophobicContact CZ-CB 4.17Å; F61-V70 HydrophobicContact CZ-CG2 3.7Å; F61-I111 HydrophobicContact CD1-CD1 4.31Å; F61-I111 HydrophobicContact CE1-CD1 4.31Å; F61-I111 HydrophobicContact CE1-CG2 4.36Å; F61-L114 HydrophobicContact CD1-CB 4.42Å; F61-L114 HydrophobicContact CD1-CD1 3.88Å; F61-L114 HydrophobicContact CE1-CB 3.4Å; F61-L114 VanDerWaalsContact CE1-CB 3.4Å; F61-L114 HydrophobicContact CE1-CD1 3.62Å; F61-L114 HydrophobicContact CE1-CG 4.17Å; F61-L114 HydrophobicContact CZ-CB 3.78Å; F61-L115 HydrophobicContact CE2-CD2 4.01Å; F61-L115 HydrophobicContact CZ-CD2 3.86Å; F61-L115 HydrophobicContact CZ-CG 3.93Å; F61-V132 HydrophobicContact CD2-CG2 4.22Å; F61-V132 HydrophobicContact CE2-CG2 3.86Å; F61-V133 PolarHBondContact N-O 3.38Å; F61-L134 HydrophobicContact CB-CB 3.77Å; F61-L134 HydrophobicContact CB-CD1 3.67Å; F61-L134 HydrophobicContact CB-CG 3.69Å; F61-L134 HydrophobicContact CD1-CD1 4.23Å; F61-L134 HydrophobicContact CG-CD1 4.22Å; F61-L134 WeakPolarHBondContact O-CA 3.25Å; F61-K135 PolarHBondContact O-N 3.06Å; F61-F159 HydrophobicContact CD2-CE1 4.35Å; F61-F159 AromaticContact CD2-CZ 3.67Å; F61-F159 HydrophobicContact CD2-CZ 3.67Å; F61-F159 HydrophobicContact CE2-CE1 4.08Å; F61-F159 AromaticContact CE2-CZ 3.83Å; F61-F159 HydrophobicContact CE2-CZ 3.83Å; F61-F159 HydrophobicContact CG-CZ 4.05Å; F61-F159 HydrophobicContact CZ-CE1 4.2Å; F61-F159 HydrophobicContact CZ-CZ 4.32Å
62D95.2Very high88.8Confident11 Ų1126 Ų266%0.05916%0.158CC..EExtended strand (participates in β ladder)trans-95.6108.9166.8160.731.4000108.6G64 T68 R69 W395D62-G64 PolarHBondContact O-N 3.48Å; D62-G64 PolarHBondContact OD1-N 2.84Å; D62-T68 CarbonylContact O-C 3.59Å; D62-T68 WeakPolarHBondContact O-CA 3.31Å; D62-R69 HydrophobicContact CB-CB 4.28Å; D62-R69 PolarHBondContact N-O 3.1Å; D62-R69 PolarHBondContact O-N 3.3Å; D62-R69 WeakPolarHBondContact OD2-CD 3.26Å; D62-R69 IonicContact OD2-CZ 2.64Å; D62-R69 IonicContact OD2-NE 2.69Å; D62-R69 IonicContact OD2-NH1 3.87Å; D62-R69 PolarHBondContact OD2-NH1 2.9Å; D62-W395 HydrophobicContact CB-CH2 3.82Å; D62-W395 HydrophobicContact CB-CZ2 3.49Å; D62-W395 VanDerWaalsContact CB-CZ2 3.49Å; D62-W395 VanDerWaalsContact OD1-CZ2 3.3Å; D62-W395 WeakPolarHBondContact OD1-CZ2 3.29Å
63A93.4Very high91Very high0 Ų023.9 Ų23.90%014%0.136CC..EExtended strand (participates in β ladder)trans-95.979.3173.500000111T68 L97 L134 K135 A136 T137A63-T68 HydrophobicContact CB-CG2 4.43Å; A63-L97 HydrophobicContact CB-CD1 3.59Å; A63-L97 HydrophobicContact CB-CG 4.04Å; A63-L134 HydrophobicContact CB-CD1 4.23Å; A63-L134 HydrophobicContact CB-CD2 3.91Å; A63-L134 HydrophobicContact CB-CG 4.23Å; A63-K135 PolarHBondContact N-O 3.34Å; A63-A136 HydrophobicContact CB-CB 4.01Å; A63-A136 WeakPolarHBondContact O-CA 3.23Å; A63-T137 PolarHBondContact O-N 3.38Å
64G85.5Confident92.5Very high5 Ų519.5 Ų19.55%0.05211%0.108CC..  trans-73.316717200000114.1D62 T66 G67D62-G64 PolarHBondContact O-N 3.48Å; D62-G64 PolarHBondContact OD1-N 2.84Å; G64-T66 PolarHBondContact O-N 3.15Å; G64-G67 CarbonylContact C-O 3.52Å; G64-G67 WeakPolarHBondContact CA-O 3.26Å; G64-G67 PolarHBondContact N-O 3.42Å; G64-G67 VanDerWaalsContact N-O 3.11Å; G64-G67 VanDerWaalsContact O-O 3.08Å
65S75.9Confident93.1Very high43 Ų4318.2 Ų18.230%0.30110%0.095SC..SBendtrans-65.1-35.6179.355.80000113.5S98S65-S98 PolarHBondContact O-OG 3.28Å
66T79.8Confident93.2Very high88 Ų8822.6 Ų22.654%0.5411%0.109SC..SBendtrans-96.8-11-174.957.40000114.1G64G64-T66 PolarHBondContact O-N 3.15Å
67G89.8Confident92.8Very high2 Ų221.1 Ų21.12%0.02110%0.102CC..  trans-179.9162.6-17500000112G64 I93 G96G64-G67 CarbonylContact C-O 3.52Å; G64-G67 WeakPolarHBondContact CA-O 3.26Å; G64-G67 PolarHBondContact N-O 3.42Å; G64-G67 VanDerWaalsContact N-O 3.11Å; G64-G67 VanDerWaalsContact O-O 3.08Å; G67-I93 CarbonylContact C-O 3.41Å; G67-I93 WeakPolarHBondContact CA-O 3.09Å; G67-G96 VanDerWaalsContact CA-CA 3.49Å
68T94.1Very high91.8Very high2 Ų225.1 Ų25.11%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-113.5136175.3-55.90000109.4F61 D62 A63 A92 I93 I111 L114F61-T68 HydrophobicContact CD1-CG2 4.26Å; D62-T68 CarbonylContact O-C 3.59Å; D62-T68 WeakPolarHBondContact O-CA 3.31Å; A63-T68 HydrophobicContact CB-CG2 4.43Å; T68-A92 WeakPolarHBondContact O-CA 3.32Å; T68-I93 PolarHBondContact N-O 2.64Å; T68-I93 WeakPolarHBondContact O-CG1 3.31Å; T68-I93 PolarHBondContact O-N 2.95Å; T68-I111 HydrophobicContact CG2-CD1 4.02Å; T68-L114 HydrophobicContact CG2-CD1 3.87Å
69R95.3Very high90.4Very high59 Ų5933 Ų3322%0.22316%0.163CC..EExtended strand (participates in β ladder)trans-122148.1-177-56.7170.1-173.277.45.7109.7F61 D62 F90 R91 A92F61-R69 CarbonylContact C-O 3.53Å; F61-R69 WeakPolarHBondContact CA-O 3.48Å; D62-R69 HydrophobicContact CB-CB 4.28Å; D62-R69 PolarHBondContact N-O 3.1Å; D62-R69 PolarHBondContact O-N 3.3Å; D62-R69 WeakPolarHBondContact OD2-CD 3.26Å; D62-R69 IonicContact OD2-CZ 2.64Å; D62-R69 IonicContact OD2-NE 2.69Å; D62-R69 IonicContact OD2-NH1 3.87Å; D62-R69 PolarHBondContact OD2-NH1 2.9Å; R69-F90 HydrophobicContact CB-CE2 3.82Å; R69-F90 HydrophobicContact CB-CZ 4.4Å; R69-F90 HydrophobicContact CG-CE2 3.95Å; R69-F90 HydrophobicContact CG-CZ 4.08Å; R69-R91 CarbonylContact C-O 3.53Å; R69-R91 VanDerWaalsContact CA-O 3.3Å; R69-R91 WeakPolarHBondContact CA-O 3.38Å; R69-A92 HydrophobicContact CG-CB 3.83Å
70V97.9Very high88.8Confident0 Ų042.5 Ų42.50%021%0.207CC..EExtended strand (participates in β ladder)trans-119.1134.516772.40000109.4V59 F61 F90 R91 L114 L117V59-V70 HydrophobicContact CG1-CG2 3.66Å; F61-V70 HydrophobicContact CD1-CB 4.3Å; F61-V70 HydrophobicContact CD1-CG2 4.42Å; F61-V70 HydrophobicContact CD2-CG2 3.8Å; F61-V70 HydrophobicContact CE1-CB 4.18Å; F61-V70 HydrophobicContact CE1-CG2 4.19Å; F61-V70 HydrophobicContact CE2-CB 4.35Å; F61-V70 HydrophobicContact CE2-CG2 3.5Å; F61-V70 HydrophobicContact CG-CB 4.47Å; F61-V70 HydrophobicContact CG-CG2 4.25Å; F61-V70 HydrophobicContact CZ-CB 4.17Å; F61-V70 HydrophobicContact CZ-CG2 3.7Å; V70-F90 WeakPolarHBondContact O-CA 3.42Å; V70-R91 HydrophobicContact CG1-CB 4.18Å; V70-R91 PolarHBondContact N-O 3.18Å; V70-R91 PolarHBondContact O-N 2.83Å; V70-L114 HydrophobicContact CB-CB 4.02Å; V70-L114 HydrophobicContact CB-CD1 4.3Å; V70-L114 HydrophobicContact CB-CD2 4.25Å; V70-L114 HydrophobicContact CB-CG 4.42Å; V70-L114 HydrophobicContact CG1-CB 3.95Å; V70-L114 HydrophobicContact CG1-CD2 3.72Å; V70-L114 HydrophobicContact CG1-CG 4.3Å; V70-L117 HydrophobicContact CG1-CD2 3.89Å
71H97.9Very high87.4Confident0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-117.9123.3173.9-56.2-106.3000107.8V59 M60 F73 E88 T89 F90 E392V59-H71 CarbonylContact C-O 3.56Å; V59-H71 WeakPolarHBondContact CA-O 3.3Å; M60-H71 HydrophobicContact CB-CB 4.47Å; M60-H71 PolarHBondContact N-O 2.76Å; M60-H71 PolarHBondContact O-N 3.48Å; H71-F73 HydrophobicContact CB-CD2 4.16Å; H71-F73 HydrophobicContact CB-CE1 4.21Å; H71-F73 HydrophobicContact CB-CE2 3.46Å; H71-F73 VanDerWaalsContact CB-CE2 3.46Å; H71-F73 HydrophobicContact CB-CZ 3.49Å; H71-F73 VanDerWaalsContact CB-CZ 3.49Å; H71-F73 AromaticContact CG-CZ 3.97Å; H71-F73 AromaticContact ND1-CZ 3.98Å; H71-E88 IonicContact CE1-OE1 3.22Å; H71-E88 IonicContact CG-OE1 3.18Å; H71-E88 IonicContact ND1-OE1 2.83Å; H71-E88 PolarHBondContact ND1-OE1 3.4Å; H71-T89 WeakPolarHBondContact CA-O 3.24Å; H71-F90 AromaticContact CE1-CD2 3.34Å; H71-F90 WeakPolarHBondContact CE1-CD2 3.41Å; H71-F90 AromaticContact CE1-CE2 3.48Å; H71-F90 VanDerWaalsContact CE1-CE2 3.48Å; H71-F90 WeakPolarHBondContact CE1-CE2 3.31Å; H71-F90 AromaticContact ND1-CD2 3.59Å; H71-F90 AromaticContact NE2-CD2 3.79Å; H71-F90 AromaticContact NE2-CE2 3.66Å; H71-E392 IonicContact CE1-OE2 3.44Å; H71-E392 PolarHBondContact CE1-OE2 3Å; H71-E392 VanDerWaalsContact CE1-OE2 3.27Å
72V97.8Very high86.4Confident2 Ų246.5 Ų46.51%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-108.8102.2173.1-172.30000107V59 E88 T89 A118 V121 V122V59-V72 HydrophobicContact CG2-CG1 4.36Å; V59-V72 HydrophobicContact CG2-CG2 4.47Å; V72-E88 CarbonylContact O-C 3.58Å; V72-T89 PolarHBondContact N-O 3.22Å; V72-T89 PolarHBondContact O-N 2.94Å; V72-A118 HydrophobicContact CG2-CB 3.88Å; V72-V121 HydrophobicContact CB-CG1 4.2Å; V72-V121 HydrophobicContact CG1-CB 4.13Å; V72-V121 HydrophobicContact CG1-CG1 3.68Å; V72-V122 HydrophobicContact CG1-CG2 3.7Å
73F97.1Very high86Confident1 Ų146.4 Ų46.40%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-91.9135.8179.2-61.7-65.6000110.2Y57 G58 M60 H71 F75 L85 E88 V391 A396 L397 A400Y57-F73 CarbonylContact C-O 3.46Å; Y57-F73 VanDerWaalsContact CA-O 3.23Å; Y57-F73 WeakPolarHBondContact CA-O 3.4Å; G58-F73 PolarHBondContact N-O 3.39Å; G58-F73 PolarHBondContact O-N 3.13Å; M60-F73 HydrophobicContact CB-CE2 4.23Å; H71-F73 HydrophobicContact CB-CD2 4.16Å; H71-F73 HydrophobicContact CB-CE1 4.21Å; H71-F73 HydrophobicContact CB-CE2 3.46Å; H71-F73 VanDerWaalsContact CB-CE2 3.46Å; H71-F73 HydrophobicContact CB-CZ 3.49Å; H71-F73 VanDerWaalsContact CB-CZ 3.49Å; H71-F73 AromaticContact CG-CZ 3.97Å; H71-F73 AromaticContact ND1-CZ 3.98Å; F73-F75 HydrophobicContact CB-CD2 4.06Å; F73-F75 HydrophobicContact CB-CE2 3.34Å; F73-F75 HydrophobicContact CB-CZ 3.78Å; F73-F75 HydrophobicContact CG-CE2 4.21Å; F73-F75 HydrophobicContact CG-CZ 4.24Å; F73-L85 HydrophobicContact CB-CD1 3.86Å; F73-L85 HydrophobicContact CD1-CD1 3.81Å; F73-L85 HydrophobicContact CD1-CD2 4.28Å; F73-L85 HydrophobicContact CG-CD1 4.24Å; F73-E88 HydrophobicContact CD1-CB 4.03Å; F73-E88 HydrophobicContact CD1-CG 3.98Å; F73-E88 HydrophobicContact CE1-CB 4.08Å; F73-E88 HydrophobicContact CE1-CG 3.68Å; F73-E88 WeakPolarHBondContact CE1-OE1 3.05Å; F73-V391 HydrophobicContact CE1-CG1 4.31Å; F73-A396 HydrophobicContact CE2-CB 4.34Å; F73-A396 HydrophobicContact CZ-CB 4.27Å; F73-L397 HydrophobicContact CD1-CD1 3.7Å; F73-L397 HydrophobicContact CD2-CD1 4.38Å; F73-L397 HydrophobicContact CE1-CB 4.05Å; F73-L397 HydrophobicContact CE1-CD1 3.74Å; F73-L397 HydrophobicContact CE1-CG 4.49Å; F73-L397 HydrophobicContact CE2-CB 4.37Å; F73-L397 HydrophobicContact CE2-CD1 4.41Å; F73-L397 HydrophobicContact CG-CD1 4.02Å; F73-L397 HydrophobicContact CZ-CB 3.8Å; F73-L397 HydrophobicContact CZ-CD1 4.11Å; F73-A400 HydrophobicContact CD2-CB 3.59Å; F73-A400 HydrophobicContact CE2-CB 3.86Å
74R95.1Very high85.8Confident61 Ų6148.5 Ų48.523%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-112.1113.7168.9-177.4170.773.6177.72.8108.3L55 Q56 Y57 D86 R87L55-R74 HydrophobicContact CD2-CG 4.36Å; Q56-R74 CarbonylContact O-C 3.46Å; Q56-R74 WeakPolarHBondContact O-CA 3.23Å; Y57-R74 HydrophobicContact CD1-CB 4.04Å; Y57-R74 HydrophobicContact CD1-CG 4.2Å; Y57-R74 HydrophobicContact CE1-CB 3.83Å; Y57-R74 HydrophobicContact CE1-CG 3.68Å; Y57-R74 VanDerWaalsContact OH-CD 3.26Å; Y57-R74 WeakPolarHBondContact OH-CD 3.5Å; R74-D86 HydrophobicContact CG-CB 4.44Å; R74-D86 IonicContact CZ-OD2 2.59Å; R74-D86 IonicContact NE-OD2 3.39Å; R74-D86 PolarHBondContact NE-OD2 3.28Å; R74-D86 IonicContact NH2-OD2 3.41Å; R74-D86 PolarHBondContact NH2-OD2 2.84Å; R74-D86 WeakPolarHBondContact O-CB 3.38Å; R74-D86 PolarHBondContact O-N 3.32Å; R74-R87 HydrophobicContact CB-CB 4.33Å; R74-R87 PolarHBondContact N-O 2.77Å; R74-R87 PolarHBondContact O-N 2.85Å
75F93Very high86.1Confident1 Ų149.9 Ų49.90%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-100140.7177.5-62.9-88.1000110.6L55 Q56 F73 M77 S84 L85 F189 L397 L404L55-F75 WeakPolarHBondContact CA-O 3.4Å; Q56-F75 PolarHBondContact N-O 3.21Å; Q56-F75 PolarHBondContact O-N 2.96Å; F73-F75 HydrophobicContact CB-CD2 4.06Å; F73-F75 HydrophobicContact CB-CE2 3.34Å; F73-F75 HydrophobicContact CB-CZ 3.78Å; F73-F75 HydrophobicContact CG-CE2 4.21Å; F73-F75 HydrophobicContact CG-CZ 4.24Å; F75-M77 HydrophobicContact CB-SD 3.78Å; F75-S84 CarbonylContact C-O 3.59Å; F75-S84 WeakPolarHBondContact CA-O 3.21Å; F75-L85 HydrophobicContact CD1-CB 4.48Å; F75-L85 HydrophobicContact CD1-CD1 4.04Å; F75-L85 HydrophobicContact CE1-CB 4.48Å; F75-L85 HydrophobicContact CE1-CD1 3.85Å; F75-L85 HydrophobicContact CG-CD1 4.46Å; F75-L85 HydrophobicContact CZ-CD1 4.11Å; F75-F189 HydrophobicContact CD1-CZ 4.37Å; F75-F189 HydrophobicContact CE1-CE2 4.48Å; F75-F189 HydrophobicContact CE1-CZ 4.17Å; F75-L397 HydrophobicContact CE1-CD1 3.82Å; F75-L397 HydrophobicContact CZ-CD1 3.65Å; F75-L404 HydrophobicContact CD2-CD1 3.35Å; F75-L404 HydrophobicContact CE2-CD1 3.3Å; F75-L404 HydrophobicContact CG-CD1 4.23Å; F75-L404 HydrophobicContact CZ-CD1 4.15Å
76R90.9Very high86.9Confident126 Ų12650.7 Ų50.748%0.47525%0.254SS..EExtended strand (participates in β ladder)trans-97.2113.6164.4-175.7-178.5-58.7-109.4-3.5107.9L55 S84 D86L55-R76 HydrophobicContact CD2-CB 4.26Å; R76-S84 PolarHBondContact N-O 3.47Å; R76-S84 PolarHBondContact O-N 3.26Å; R76-D86 HydrophobicContact CB-CB 4.48Å; R76-D86 IonicContact CZ-OD1 3.93Å; R76-D86 IonicContact NE-OD1 3.46Å; R76-D86 IonicContact NH2-OD1 3.44Å; R76-D86 PolarHBondContact NH2-OD1 3.06Å
77M84.5Confident87.5Confident21 Ų2151.6 Ų51.610%0.10325%0.247CC..  trans-85.3125.6179.4-49.8-52-72.700108.5G54 Q56 F75 P83G54-M77 WeakPolarHBondContact O-CB 2.95Å; G54-M77 PolarHBondContact O-N 3.46Å; Q56-M77 HydrophobicContact CB-CG 3.96Å; Q56-M77 HydrophobicContact CB-SD 4.03Å; Q56-M77 HydrophobicContact CG-CG 3.58Å; Q56-M77 HydrophobicContact CG-SD 4.15Å; F75-M77 HydrophobicContact CB-SD 3.78Å; M77-P83 HydrophobicContact CE-CB 4.18Å; M77-P83 HydrophobicContact CE-CG 3.79Å; M77-P83 HydrophobicContact SD-CB 4.03Å; M77-P83 HydrophobicContact SD-CG 4.3Å
78E75.6Confident87.8Confident98 Ų9853 Ų5346%0.45825%0.253SS..  trans-98137171.7-64.2-174.5-175.700109Q80E78-Q80 PolarHBondContact O-N 3.41Å; E78-Q80 VanDerWaalsContact O-N 3.14Å
79N65.6Low87.9Confident168 Ų16854.4 Ų54.490%0.89826%0.262SS*.SBendtrans-61.9-23.4-175.4-74.8-21.1000113.8
80Q63.9Low87.8Confident202 Ų20255.7 Ų55.794%0.94427%0.27SS*.SBendtrans-140.413.8-179.5-64.7-174.5-13.500112.6E78E78-Q80 PolarHBondContact O-N 3.41Å; E78-Q80 VanDerWaalsContact O-N 3.14Å
81G69.2Low87.7Confident28 Ų2861 Ų6129%0.28929%0.29SS..SBendtrans-123.4164.7-172.200000112.9
82F77.8Confident87.6Confident59 Ų5963.6 Ų63.626%0.25931%0.311SS..  trans-66.6126.8173.4-170.3-95.4000109.2S84 F189 L194 Q195 F401F82-S84 PolarHBondContact O-N 3.11Å; F82-F189 HydrophobicContact CD1-CE2 4.26Å; F82-F189 AromaticContact CE1-CD2 3.31Å; F82-F189 HydrophobicContact CE1-CD2 3.31Å; F82-F189 AromaticContact CE1-CE2 3.39Å; F82-F189 HydrophobicContact CE1-CE2 3.39Å; F82-F189 HydrophobicContact CE1-CG 4.11Å; F82-F189 HydrophobicContact CE1-CZ 4.26Å; F82-F189 AromaticContact CZ-CD2 3.57Å; F82-F189 HydrophobicContact CZ-CD2 3.57Å; F82-F189 AromaticContact CZ-CE2 3.94Å; F82-F189 HydrophobicContact CZ-CE2 3.94Å; F82-F189 HydrophobicContact CZ-CG 4.49Å; F82-L194 HydrophobicContact CE1-CB 4.25Å; F82-L194 HydrophobicContact CE2-CB 3.73Å; F82-L194 HydrophobicContact CZ-CB 3.49Å; F82-L194 VanDerWaalsContact CZ-CB 3.49Å; F82-L194 HydrophobicContact CZ-CD1 4Å; F82-L194 HydrophobicContact CZ-CG 4.39Å; F82-Q195 HydrophobicContact CD1-CG 4.16Å; F82-Q195 HydrophobicContact CG-CG 4.48Å; F82-F401 HydrophobicContact CE2-CE1 4.2Å; F82-F401 AromaticContact CE2-CZ 3.73Å; F82-F401 HydrophobicContact CE2-CZ 3.73Å; F82-F401 HydrophobicContact CZ-CE1 4.11Å; F82-F401 HydrophobicContact CZ-CE2 4.35Å; F82-F401 AromaticContact CZ-CZ 3.74Å; F82-F401 HydrophobicContact CZ-CZ 3.74Å
83P86.2Confident87.4Confident9 Ų965.1 Ų65.16%0.05832%0.319CS..  trans-54.9140.6-178.8-28.136.9000112M77 F189 F401M77-P83 HydrophobicContact CE-CB 4.18Å; M77-P83 HydrophobicContact CE-CG 3.79Å; M77-P83 HydrophobicContact SD-CB 4.03Å; M77-P83 HydrophobicContact SD-CG 4.3Å; P83-F189 WeakPolarHBondContact O-CE2 3.07Å; P83-F189 VanDerWaalsContact O-CZ 3.22Å; P83-F189 WeakPolarHBondContact O-CZ 3.44Å; P83-F401 HydrophobicContact CB-CE2 4.09Å; P83-F401 HydrophobicContact CG-CE2 3.87Å
84S89Confident87.1Confident43 Ų4373.5 Ų73.530%0.30136%0.355SS..EExtended strand (participates in β ladder)trans-105.9143.1174.455.70000110.5F75 R76 F82F75-S84 CarbonylContact C-O 3.59Å; F75-S84 WeakPolarHBondContact CA-O 3.21Å; R76-S84 PolarHBondContact N-O 3.47Å; R76-S84 PolarHBondContact O-N 3.26Å; F82-S84 PolarHBondContact O-N 3.11Å
85L92.1Very high86.9Confident35 Ų3573.4 Ų73.418%0.18336%0.362CS..EExtended strand (participates in β ladder)trans-82.1121.5171.8-176.971.2000108.5F73 F75 F189 V391 L397F73-L85 HydrophobicContact CB-CD1 3.86Å; F73-L85 HydrophobicContact CD1-CD1 3.81Å; F73-L85 HydrophobicContact CD1-CD2 4.28Å; F73-L85 HydrophobicContact CG-CD1 4.24Å; F75-L85 HydrophobicContact CD1-CB 4.48Å; F75-L85 HydrophobicContact CD1-CD1 4.04Å; F75-L85 HydrophobicContact CE1-CB 4.48Å; F75-L85 HydrophobicContact CE1-CD1 3.85Å; F75-L85 HydrophobicContact CG-CD1 4.46Å; F75-L85 HydrophobicContact CZ-CD1 4.11Å; L85-F189 HydrophobicContact CB-CE1 3.64Å; L85-F189 HydrophobicContact CB-CZ 4.08Å; L85-V391 HydrophobicContact CD2-CB 4.23Å; L85-V391 HydrophobicContact CD2-CG1 3.8Å; L85-V391 HydrophobicContact CD2-CG2 3.36Å; L85-L397 HydrophobicContact CD1-CD1 4.03Å; L85-L397 HydrophobicContact CD2-CD1 3.89Å; L85-L397 HydrophobicContact CD2-CD2 4.18Å; L85-L397 HydrophobicContact CG-CD1 4.46Å
86D92Very high86.6Confident59 Ų5973.4 Ų73.432%0.31636%0.362SS..EExtended strand (participates in β ladder)trans-92.7-38.6-178.7-178.296.8000111.1R74 R76R74-D86 HydrophobicContact CG-CB 4.44Å; R74-D86 IonicContact CZ-OD2 2.59Å; R74-D86 IonicContact NE-OD2 3.39Å; R74-D86 PolarHBondContact NE-OD2 3.28Å; R74-D86 IonicContact NH2-OD2 3.41Å; R74-D86 PolarHBondContact NH2-OD2 2.84Å; R74-D86 WeakPolarHBondContact O-CB 3.38Å; R74-D86 PolarHBondContact O-N 3.32Å; R76-D86 HydrophobicContact CB-CB 4.48Å; R76-D86 IonicContact CZ-OD1 3.93Å; R76-D86 IonicContact NE-OD1 3.46Å; R76-D86 IonicContact NH2-OD1 3.44Å; R76-D86 PolarHBondContact NH2-OD1 3.06Å
87R92.8Very high86.6Confident107 Ų10767.4 Ų67.440%0.40434%0.34SS..EExtended strand (participates in β ladder)trans-157.4147.1175.8-172.3172.766.1176.91.5112.6R74R74-R87 HydrophobicContact CB-CB 4.33Å; R74-R87 PolarHBondContact N-O 2.77Å; R74-R87 PolarHBondContact O-N 2.85Å
88E95.9Very high86.7Confident31 Ų3167.3 Ų67.315%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-109.3142.4161.5178.2-179-150.600110H71 V72 F73 V391 E392H71-E88 IonicContact CE1-OE1 3.22Å; H71-E88 IonicContact CG-OE1 3.18Å; H71-E88 IonicContact ND1-OE1 2.83Å; H71-E88 PolarHBondContact ND1-OE1 3.4Å; V72-E88 CarbonylContact O-C 3.58Å; F73-E88 HydrophobicContact CD1-CB 4.03Å; F73-E88 HydrophobicContact CD1-CG 3.98Å; F73-E88 HydrophobicContact CE1-CB 4.08Å; F73-E88 HydrophobicContact CE1-CG 3.68Å; F73-E88 WeakPolarHBondContact CE1-OE1 3.05Å; E88-V391 VanDerWaalsContact OE2-CA 3.23Å; E88-V391 WeakPolarHBondContact OE2-CA 3.46Å; E88-V391 WeakPolarHBondContact OE2-CG1 3.39Å; E88-E392 PolarHBondContact OE2-N 3.1Å
89T96.2Very high87.3Confident33 Ų3365.3 Ų65.320%0.20234%0.341CS..EExtended strand (participates in β ladder)trans-122.9128.5161.5-580000109.3H71 V72 L117 V121H71-T89 WeakPolarHBondContact CA-O 3.24Å; V72-T89 PolarHBondContact N-O 3.22Å; V72-T89 PolarHBondContact O-N 2.94Å; T89-L117 HydrophobicContact CG2-CD1 4.35Å; T89-L117 HydrophobicContact CG2-CD2 4.4Å; T89-V121 HydrophobicContact CG2-CG2 3.75Å
90F94.1Very high88.5Confident86 Ų8659.5 Ų59.538%0.37731%0.307SS..EExtended strand (participates in β ladder)trans-125.6140.9-168170.3-98.8000111.6R69 V70 H71 A92R69-F90 HydrophobicContact CB-CE2 3.82Å; R69-F90 HydrophobicContact CB-CZ 4.4Å; R69-F90 HydrophobicContact CG-CE2 3.95Å; R69-F90 HydrophobicContact CG-CZ 4.08Å; V70-F90 WeakPolarHBondContact O-CA 3.42Å; H71-F90 AromaticContact CE1-CD2 3.34Å; H71-F90 WeakPolarHBondContact CE1-CD2 3.41Å; H71-F90 AromaticContact CE1-CE2 3.48Å; H71-F90 VanDerWaalsContact CE1-CE2 3.48Å; H71-F90 WeakPolarHBondContact CE1-CE2 3.31Å; H71-F90 AromaticContact ND1-CD2 3.59Å; H71-F90 AromaticContact NE2-CD2 3.79Å; H71-F90 AromaticContact NE2-CE2 3.66Å; F90-A92 HydrophobicContact CE1-CB 4.25Å; F90-A92 HydrophobicContact CZ-CB 3.94Å
91R95.6Very high89.7Confident112 Ų11250 Ų5042%0.42326%0.264SS..EExtended strand (participates in β ladder)trans-149.7140.6166.6-179.4177.7-175.6-169.86.7111.3R69 V70 A113 L114 L117R69-R91 CarbonylContact C-O 3.53Å; R69-R91 VanDerWaalsContact CA-O 3.3Å; R69-R91 WeakPolarHBondContact CA-O 3.38Å; V70-R91 HydrophobicContact CG1-CB 4.18Å; V70-R91 PolarHBondContact N-O 3.18Å; V70-R91 PolarHBondContact O-N 2.83Å; R91-A113 PolarHBondContact NH1-O 3.4Å; R91-L114 HydrophobicContact CB-CD2 4.18Å; R91-L114 HydrophobicContact CG-CD2 3.92Å; R91-L117 HydrophobicContact CB-CD2 3.29Å; R91-L117 HydrophobicContact CG-CD2 4.22Å
92A94.4Very high90.8Very high53 Ų5354.8 Ų54.844%0.43828%0.282SS..EExtended strand (participates in β ladder)trans-115.7149.1174.900000111.5T68 R69 F90T68-A92 WeakPolarHBondContact O-CA 3.32Å; R69-A92 HydrophobicContact CG-CB 3.83Å; F90-A92 HydrophobicContact CE1-CB 4.25Å; F90-A92 HydrophobicContact CZ-CB 3.94Å
93I94.1Very high91.5Very high35 Ų3554.6 Ų54.618%0.17928%0.284CS..EExtended strand (participates in β ladder)trans-129.8157.3169.960.2171.4000110.5G67 T68 G110 L114G67-I93 CarbonylContact C-O 3.41Å; G67-I93 WeakPolarHBondContact CA-O 3.09Å; T68-I93 PolarHBondContact N-O 2.64Å; T68-I93 WeakPolarHBondContact O-CG1 3.31Å; T68-I93 PolarHBondContact O-N 2.95Å; I93-G110 VanDerWaalsContact CD1-CA 3.46Å; I93-G110 WeakPolarHBondContact CD1-O 3.42Å; I93-L114 HydrophobicContact CD1-CD1 3.9Å; I93-L114 HydrophobicContact CD1-CG 4.11Å; I93-L114 HydrophobicContact CG1-CD1 4.01Å; I93-L114 HydrophobicContact CG1-CG 4.36Å; I93-L114 HydrophobicContact CG2-CD2 3.97Å; I93-L114 HydrophobicContact CG2-CG 4.44Å
94K92.1Very high91.9Very high176 Ų17655.1 Ų55.177%0.76529%0.287SS*.SBendtrans-130.2151.6172.5-65.1-171.3176.6-178.90109.7
95P90.1Very high92.2Very high59 Ų5958.6 Ų58.638%0.38330%0.299SS..SBendcis-73.3174.2-633.5-38.2000112.8A99 Y100P95-A99 HydrophobicContact CB-CB 3.64Å; P95-A99 HydrophobicContact CG-CB 3.81Å; P95-Y100 VanDerWaalsContact CD-OH 3.3Å; P95-Y100 WeakPolarHBondContact CD-OH 3.34Å; P95-Y100 HydrophobicContact CG-CE1 4.25Å; P95-Y100 HydrophobicContact CG-CE2 4.23Å; P95-Y100 WeakPolarHBondContact CG-OH 3.39Å
96G87.6Confident92.4Very high1 Ų163.1 Ų63.11%0.0132%0.317CS..  trans-73.9173.817500000113.2G67 S98 A99 Y100G67-G96 VanDerWaalsContact CA-CA 3.49Å; G96-S98 VanDerWaalsContact C-N 3.28Å; G96-S98 PolarHBondContact O-N 2.96Å; G96-A99 WeakPolarHBondContact O-CB 3.35Å; G96-A99 PolarHBondContact O-N 2.97Å; G96-Y100 WeakPolarHBondContact O-CE2 3.4Å
97L90.3Very high92.5Very high1 Ų160.4 Ų60.41%0.00530%0.303CS..G310 helixtrans-59.8-35.1-176-78.9-172.2000113.5A63 A99 Y100 C107 I111 L134 L140 L151 V155A63-L97 HydrophobicContact CB-CD1 3.59Å; A63-L97 HydrophobicContact CB-CG 4.04Å; L97-A99 PolarHBondContact O-N 2.87Å; L97-Y100 PolarHBondContact O-N 3.1Å; L97-C107 HydrophobicContact CD2-CB 3.67Å; L97-I111 HydrophobicContact CD2-CD1 4.17Å; L97-I111 HydrophobicContact CD2-CG1 4.4Å; L97-L134 HydrophobicContact CD1-CD1 4.15Å; L97-L134 HydrophobicContact CD1-CD2 4.31Å; L97-L140 HydrophobicContact CB-CD1 3.8Å; L97-L140 HydrophobicContact CB-CD2 4.22Å; L97-L140 HydrophobicContact CD1-CD2 4.24Å; L97-L151 WeakPolarHBondContact O-CD1 3.16Å; L97-V155 HydrophobicContact CD1-CG2 4.2Å
98S87.2Confident92.7Very high19 Ų1955.6 Ų55.613%0.13329%0.286CS..G310 helixtrans-62.1-27.9-178.550.80000113.2S65 G96 Y100 A101S65-S98 PolarHBondContact O-OG 3.28Å; G96-S98 VanDerWaalsContact C-N 3.28Å; G96-S98 PolarHBondContact O-N 2.96Å; S98-Y100 PolarHBondContact O-N 2.85Å; S98-Y100 VanDerWaalsContact O-N 3.12Å; S98-A101 WeakPolarHBondContact O-CB 3.44Å; S98-A101 PolarHBondContact O-N 2.69Å; S98-A101 VanDerWaalsContact O-N 3.12Å
99A87.7Confident92.8Very high55 Ų5557.7 Ų57.746%0.45531%0.308SS..G310 helixtrans-67.1-11.3176.900000113.5P95 G96 L97P95-A99 HydrophobicContact CB-CB 3.64Å; P95-A99 HydrophobicContact CG-CB 3.81Å; G96-A99 WeakPolarHBondContact O-CB 3.35Å; G96-A99 PolarHBondContact O-N 2.97Å; L97-A99 PolarHBondContact O-N 2.87Å
100Y91.3Very high92.8Very high47 Ų4756.9 Ų56.918%0.18431%0.306CS..G310 helixtrans-105.715177.2-51-68.8000112.3P95 G96 L97 S98 D102 D103 K106 C107P95-Y100 VanDerWaalsContact CD-OH 3.3Å; P95-Y100 WeakPolarHBondContact CD-OH 3.34Å; P95-Y100 HydrophobicContact CG-CE1 4.25Å; P95-Y100 HydrophobicContact CG-CE2 4.23Å; P95-Y100 WeakPolarHBondContact CG-OH 3.39Å; G96-Y100 WeakPolarHBondContact O-CE2 3.4Å; L97-Y100 PolarHBondContact O-N 3.1Å; S98-Y100 PolarHBondContact O-N 2.85Å; S98-Y100 VanDerWaalsContact O-N 3.12Å; Y100-D102 PolarHBondContact O-N 2.74Å; Y100-D102 VanDerWaalsContact O-N 3.14Å; Y100-D103 CarbonylContact O-C 3.55Å; Y100-D103 PolarHBondContact O-N 3.04Å; Y100-K106 HydrophobicContact CD1-CB 3.52Å; Y100-K106 HydrophobicContact CE1-CB 3.99Å; Y100-K106 HydrophobicContact CG-CB 4.33Å; Y100-C107 HydrophobicContact CD2-CB 3.59Å; Y100-C107 HydrophobicContact CE2-CB 4.16Å; Y100-C107 HydrophobicContact CG-CB 3.98Å
101A88.9Confident93Very high3 Ų352.8 Ų52.83%0.02529%0.288CS..THydrogen-bonded Turntrans-59.8-26.7-17400000114.2S98 L143 K147 L151S98-A101 WeakPolarHBondContact O-CB 3.44Å; S98-A101 PolarHBondContact O-N 2.69Å; S98-A101 VanDerWaalsContact O-N 3.12Å; A101-L143 HydrophobicContact CB-CD1 3.82Å; A101-L143 HydrophobicContact CB-CD2 3.75Å; A101-L143 HydrophobicContact CB-CG 4.4Å; A101-K147 HydrophobicContact CB-CB 4.34Å; A101-K147 HydrophobicContact CB-CD 4.14Å; A101-L151 HydrophobicContact CB-CD1 4.27Å
102D90.6Very high93.1Very high127 Ų12751.3 Ų51.368%0.67929%0.287SS*.THydrogen-bonded Turntrans-88-15.4175.2-67.6-43.4000114Y100 K147Y100-D102 PolarHBondContact O-N 2.74Å; Y100-D102 VanDerWaalsContact O-N 3.14Å; D102-K147 VanDerWaalsContact OD1-CE 3.31Å; D102-K147 WeakPolarHBondContact OD1-CE 2.97Å; D102-K147 IonicContact OD1-NZ 2.65Å; D102-K147 PolarHBondContact OD1-NZ 3.06Å
103D93.6Very high93.3Very high56 Ų5650.2 Ų50.230%0.29928%0.278SS..  trans-148.179.8179.7-173.8-7.6000110.3Y100 Q105 K106Y100-D103 CarbonylContact O-C 3.55Å; Y100-D103 PolarHBondContact O-N 3.04Å; D103-Q105 PolarHBondContact O-N 3.14Å; D103-Q105 PolarHBondContact OD1-N 2.9Å; D103-K106 HydrophobicContact CB-CD 4.06Å; D103-K106 HydrophobicContact CB-CG 4.3Å; D103-K106 WeakPolarHBondContact O-CB 3.4Å; D103-K106 PolarHBondContact O-N 3.28Å; D103-K106 WeakPolarHBondContact OD2-CD 3.49Å; D103-K106 WeakPolarHBondContact OD2-CE 3.21Å; D103-K106 WeakPolarHBondContact OD2-CG 3.34Å; D103-K106 IonicContact OD2-NZ 3.12Å; D103-K106 PolarHBondContact OD2-NZ 3.17Å
104P94.3Very high93.5Very high20 Ų2048.6 Ų48.613%0.1327%0.27CS..G310 helixtrans-56.4-23.6-176.5-2936.4000114.2K106 C107 Q150 L151 R154P104-K106 VanDerWaalsContact C-N 3.26Å; P104-K106 PolarHBondContact O-N 3.28Å; P104-C107 PolarHBondContact O-N 3.38Å; P104-C107 PolarHBondContact O-SG 2.87Å; P104-Q150 HydrophobicContact CG-CB 3.98Å; P104-L151 HydrophobicContact CB-CD2 3.95Å; P104-L151 HydrophobicContact CB-CG 4.38Å; P104-L151 HydrophobicContact CG-CD2 4.34Å; P104-L151 HydrophobicContact CG-CG 4.4Å; P104-R154 HydrophobicContact CB-CB 4.38Å
105Q95.3Very high93.8Very high115 Ų11540.6 Ų40.654%0.53724%0.235SC..G310 helixtrans-65.1-31.4179.5-66.3-60.3-30.200112.4D103 C107 S108 R154D103-Q105 PolarHBondContact O-N 3.14Å; D103-Q105 PolarHBondContact OD1-N 2.9Å; Q105-C107 PolarHBondContact O-N 2.92Å; Q105-S108 VanDerWaalsContact O-CB 3.29Å; Q105-S108 WeakPolarHBondContact O-CB 3.42Å; Q105-S108 PolarHBondContact O-N 3.31Å; Q105-S108 VanDerWaalsContact O-N 3.12Å; Q105-S108 PolarHBondContact O-OG 3.15Å; Q105-R154 VanDerWaalsContact OE1-NE 3.07Å
106K95.6Very high94.2Very high130 Ų13041.3 Ų41.357%0.56524%0.236SC*.G310 helixtrans-64.4-23.7-179.6-74.5179.5175.9125.10113.7Y100 D103 P104 S108Y100-K106 HydrophobicContact CD1-CB 3.52Å; Y100-K106 HydrophobicContact CE1-CB 3.99Å; Y100-K106 HydrophobicContact CG-CB 4.33Å; D103-K106 HydrophobicContact CB-CD 4.06Å; D103-K106 HydrophobicContact CB-CG 4.3Å; D103-K106 WeakPolarHBondContact O-CB 3.4Å; D103-K106 PolarHBondContact O-N 3.28Å; D103-K106 WeakPolarHBondContact OD2-CD 3.49Å; D103-K106 WeakPolarHBondContact OD2-CE 3.21Å; D103-K106 WeakPolarHBondContact OD2-CG 3.34Å; D103-K106 IonicContact OD2-NZ 3.12Å; D103-K106 PolarHBondContact OD2-NZ 3.17Å; P104-K106 VanDerWaalsContact C-N 3.26Å; P104-K106 PolarHBondContact O-N 3.28Å; K106-S108 PolarHBondContact O-N 2.71Å
107C95.1Very high94.7Very high2 Ų242.9 Ų42.91%0.01424%0.244CC..Hα-helixtrans-69.4-21.2177.283.40000112.7L97 Y100 P104 Q105 A109 G110 I111 L151L97-C107 HydrophobicContact CD2-CB 3.67Å; Y100-C107 HydrophobicContact CD2-CB 3.59Å; Y100-C107 HydrophobicContact CE2-CB 4.16Å; Y100-C107 HydrophobicContact CG-CB 3.98Å; P104-C107 PolarHBondContact O-N 3.38Å; P104-C107 PolarHBondContact O-SG 2.87Å; Q105-C107 PolarHBondContact O-N 2.92Å; C107-A109 PolarHBondContact O-N 3.48Å; C107-G110 PolarHBondContact O-N 3.24Å; C107-G110 VanDerWaalsContact O-N 3.15Å; C107-I111 PolarHBondContact O-N 3.38Å; C107-I111 VanDerWaalsContact O-N 3.1Å; C107-L151 HydrophobicContact CB-CD2 4.48Å
108S97.2Very high95.1Very high7 Ų742.9 Ų42.95%0.04924%0.244CC..Hα-helixtrans-58.3-44.5-169.8-46.40000113.3Q105 K106 G110 I111 M112 R154Q105-S108 VanDerWaalsContact O-CB 3.29Å; Q105-S108 WeakPolarHBondContact O-CB 3.42Å; Q105-S108 PolarHBondContact O-N 3.31Å; Q105-S108 VanDerWaalsContact O-N 3.12Å; Q105-S108 PolarHBondContact O-OG 3.15Å; K106-S108 PolarHBondContact O-N 2.71Å; S108-G110 VanDerWaalsContact C-N 3.31Å; S108-G110 PolarHBondContact O-N 3.11Å; S108-I111 PolarHBondContact O-N 3.36Å; S108-M112 WeakPolarHBondContact O-CB 3.22Å; S108-M112 WeakPolarHBondContact O-CG 3.22Å; S108-M112 PolarHBondContact O-N 2.97Å; S108-R154 PolarHBondContact OG-NE 2.98Å; S108-R154 PolarHBondContact OG-NH2 3.07Å
109A97.1Very high95.6Very high74 Ų7447.1 Ų47.161%0.61226%0.257SS*.Hα-helixtrans-63-39.4-178.200000111.8C107 A113C107-A109 PolarHBondContact O-N 3.48Å; A109-A113 WeakPolarHBondContact O-CB 3.06Å; A109-A113 PolarHBondContact O-N 3.5Å
110G96.8Very high96.1Very high16 Ų1648.9 Ų48.917%0.16527%0.266CS..Hα-helixtrans-65.8-48176.400000112.2I93 C107 S108 M112 A113 L114I93-G110 VanDerWaalsContact CD1-CA 3.46Å; I93-G110 WeakPolarHBondContact CD1-O 3.42Å; C107-G110 PolarHBondContact O-N 3.24Å; C107-G110 VanDerWaalsContact O-N 3.15Å; S108-G110 VanDerWaalsContact C-N 3.31Å; S108-G110 PolarHBondContact O-N 3.11Å; G110-M112 PolarHBondContact O-N 3.44Å; G110-A113 PolarHBondContact O-N 3.43Å; G110-L114 WeakPolarHBondContact O-CG 3.49Å; G110-L114 PolarHBondContact O-N 3.43Å
111I98.2Very high96.4Very high1 Ų147.9 Ų47.91%0.00527%0.265CS..Hα-helixtrans-63.5-42.3178.8-62.4-60.9000111.4F61 T68 L97 C107 S108 A113 L114 L115 L134 V155 L158 F159F61-I111 HydrophobicContact CD1-CD1 4.31Å; F61-I111 HydrophobicContact CE1-CD1 4.31Å; F61-I111 HydrophobicContact CE1-CG2 4.36Å; T68-I111 HydrophobicContact CG2-CD1 4.02Å; L97-I111 HydrophobicContact CD2-CD1 4.17Å; L97-I111 HydrophobicContact CD2-CG1 4.4Å; C107-I111 PolarHBondContact O-N 3.38Å; C107-I111 VanDerWaalsContact O-N 3.1Å; S108-I111 PolarHBondContact O-N 3.36Å; I111-A113 PolarHBondContact O-N 3.04Å; I111-L114 PolarHBondContact O-N 2.03Å; I111-L115 HydrophobicContact CG2-CD1 4.13Å; I111-L115 HydrophobicContact CG2-CG 4.46Å; I111-L115 WeakPolarHBondContact O-CG 3.43Å; I111-L115 PolarHBondContact O-N 2.03Å; I111-L134 HydrophobicContact CD1-CD1 4.3Å; I111-V155 HydrophobicContact CG1-CG2 4.35Å; I111-L158 HydrophobicContact CB-CD1 4.02Å; I111-L158 HydrophobicContact CG2-CB 4.48Å; I111-L158 HydrophobicContact CG2-CD1 3.99Å; I111-F159 HydrophobicContact CG2-CE1 4.01Å
112M97.9Very high96.8Very high81 Ų8147.9 Ų47.940%0.39926%0.264SS..Hα-helixtrans-60.5-44.8174.4-75.5-172.9-110.100111.8S108 G110 L114 L115 D116 L158S108-M112 WeakPolarHBondContact O-CB 3.22Å; S108-M112 WeakPolarHBondContact O-CG 3.22Å; S108-M112 PolarHBondContact O-N 2.97Å; G110-M112 PolarHBondContact O-N 3.44Å; M112-L114 PolarHBondContact O-N 3.08Å; M112-L114 VanDerWaalsContact O-N 3.17Å; M112-L115 PolarHBondContact O-N 3.12Å; M112-L115 VanDerWaalsContact O-N 3.1Å; M112-D116 WeakPolarHBondContact O-CB 3.43Å; M112-D116 PolarHBondContact O-N 3.05Å; M112-L158 HydrophobicContact CE-CD2 3.95Å; M112-L158 HydrophobicContact CG-CD2 4.25Å
113A98.2Very high97.1Very high30 Ų3044 Ų4425%0.24825%0.246CC..Hα-helixtrans-60.3-29.2177.900000113.6R91 A109 G110 I111R91-A113 PolarHBondContact NH1-O 3.4Å; A109-A113 WeakPolarHBondContact O-CB 3.06Å; A109-A113 PolarHBondContact O-N 3.5Å; G110-A113 PolarHBondContact O-N 3.43Å; I111-A113 PolarHBondContact O-N 3.04Å
114L98.5Very high97.2Very high0 Ų045.6 Ų45.60%026%0.26CS..Hα-helixtrans-79.5-40.7173.9-67.6-177.4000112.2F61 T68 V70 R91 I93 G110 I111 M112 D116 L117 A118F61-L114 HydrophobicContact CD1-CB 4.42Å; F61-L114 HydrophobicContact CD1-CD1 3.88Å; F61-L114 HydrophobicContact CE1-CB 3.4Å; F61-L114 VanDerWaalsContact CE1-CB 3.4Å; F61-L114 HydrophobicContact CE1-CD1 3.62Å; F61-L114 HydrophobicContact CE1-CG 4.17Å; F61-L114 HydrophobicContact CZ-CB 3.78Å; T68-L114 HydrophobicContact CG2-CD1 3.87Å; V70-L114 HydrophobicContact CB-CB 4.02Å; V70-L114 HydrophobicContact CB-CD1 4.3Å; V70-L114 HydrophobicContact CB-CD2 4.25Å; V70-L114 HydrophobicContact CB-CG 4.42Å; V70-L114 HydrophobicContact CG1-CB 3.95Å; V70-L114 HydrophobicContact CG1-CD2 3.72Å; V70-L114 HydrophobicContact CG1-CG 4.3Å; R91-L114 HydrophobicContact CB-CD2 4.18Å; R91-L114 HydrophobicContact CG-CD2 3.92Å; I93-L114 HydrophobicContact CD1-CD1 3.9Å; I93-L114 HydrophobicContact CD1-CG 4.11Å; I93-L114 HydrophobicContact CG1-CD1 4.01Å; I93-L114 HydrophobicContact CG1-CG 4.36Å; I93-L114 HydrophobicContact CG2-CD2 3.97Å; I93-L114 HydrophobicContact CG2-CG 4.44Å; G110-L114 WeakPolarHBondContact O-CG 3.49Å; G110-L114 PolarHBondContact O-N 3.43Å; I111-L114 PolarHBondContact O-N 2.03Å; M112-L114 PolarHBondContact O-N 3.08Å; M112-L114 VanDerWaalsContact O-N 3.17Å; L114-D116 VanDerWaalsContact C-N 3.25Å; L114-D116 PolarHBondContact O-N 3.35Å; L114-L117 WeakPolarHBondContact O-CB 3.18Å; L114-L117 PolarHBondContact O-N 2.83Å; L114-A118 PolarHBondContact O-N 3.12Å; L114-A118 VanDerWaalsContact O-N 3.15Å
115L98.5Very high97.3Very high9 Ų949.5 Ų49.55%0.04729%0.287CS..Hα-helixtrans-60-37.1172-74.3170000111.4F61 I111 M112 L117 A118 R119 V132 F159 F164F61-L115 HydrophobicContact CE2-CD2 4.01Å; F61-L115 HydrophobicContact CZ-CD2 3.86Å; F61-L115 HydrophobicContact CZ-CG 3.93Å; I111-L115 HydrophobicContact CG2-CD1 4.13Å; I111-L115 HydrophobicContact CG2-CG 4.46Å; I111-L115 WeakPolarHBondContact O-CG 3.43Å; I111-L115 PolarHBondContact O-N 2.03Å; M112-L115 PolarHBondContact O-N 3.12Å; M112-L115 VanDerWaalsContact O-N 3.1Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.82Å; L115-A118 WeakPolarHBondContact O-CA 3.01Å; L115-A118 WeakPolarHBondContact O-CB 3.15Å; L115-A118 PolarHBondContact O-N 2.91Å; L115-A118 VanDerWaalsContact O-N 3.11Å; L115-R119 WeakPolarHBondContact O-CG 3.36Å; L115-R119 PolarHBondContact O-N 2.99Å; L115-V132 HydrophobicContact CD2-CG2 4Å; L115-F159 HydrophobicContact CD1-CD1 4.17Å; L115-F159 HydrophobicContact CD1-CE1 4.34Å; L115-F159 HydrophobicContact CD2-CD1 4.17Å; L115-F159 HydrophobicContact CD2-CE1 4.01Å; L115-F159 HydrophobicContact CG-CE1 4.39Å; L115-F164 HydrophobicContact CD2-CD2 4.28Å
116D98.2Very high97.3Very high73 Ų7345.2 Ų45.239%0.3927%0.267SS..Hα-helixtrans-63-40177.9-68.21.5000112M112 L114 R119 S120M112-D116 WeakPolarHBondContact O-CB 3.43Å; M112-D116 PolarHBondContact O-N 3.05Å; L114-D116 VanDerWaalsContact C-N 3.25Å; L114-D116 PolarHBondContact O-N 3.35Å; D116-R119 PolarHBondContact O-N 3.3Å; D116-R119 IonicContact OD1-CZ 2.74Å; D116-R119 IonicContact OD1-NE 2.59Å; D116-R119 PolarHBondContact OD1-NE 2.9Å; D116-R119 IonicContact OD1-NH2 3.27Å; D116-R119 PolarHBondContact OD1-NH2 3.02Å; D116-R119 IonicContact OD2-NH2 3.66Å; D116-S120 PolarHBondContact O-N 3.21Å
117L98.3Very high97.4Very high35 Ų3542.1 Ų42.118%0.18325%0.252CS..Hα-helixtrans-60.8-47.9171.2176.670000110.3V70 T89 R91 L114 L115 R119 S120 V121V70-L117 HydrophobicContact CG1-CD2 3.89Å; T89-L117 HydrophobicContact CG2-CD1 4.35Å; T89-L117 HydrophobicContact CG2-CD2 4.4Å; R91-L117 HydrophobicContact CB-CD2 3.29Å; R91-L117 HydrophobicContact CG-CD2 4.22Å; L114-L117 WeakPolarHBondContact O-CB 3.18Å; L114-L117 PolarHBondContact O-N 2.83Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.82Å; L117-R119 VanDerWaalsContact C-N 3.29Å; L117-R119 PolarHBondContact O-N 2.81Å; L117-S120 PolarHBondContact O-N 2.93Å; L117-S120 PolarHBondContact O-OG 3.31Å; L117-V121 HydrophobicContact CD1-CG2 4.33Å; L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 3.01Å; L117-V121 VanDerWaalsContact O-N 3.17Å
118A98.3Very high97.4Very high0 Ų046.9 Ų46.90%028%0.281CS..Hα-helixtrans-57.6-42.8177.700000112V59 V72 L114 L115 S120 V121 V122 F164V59-A118 HydrophobicContact CG1-CB 3.88Å; V59-A118 HydrophobicContact CG2-CB 3.93Å; V72-A118 HydrophobicContact CG2-CB 3.88Å; L114-A118 PolarHBondContact O-N 3.12Å; L114-A118 VanDerWaalsContact O-N 3.15Å; L115-A118 WeakPolarHBondContact O-CA 3.01Å; L115-A118 WeakPolarHBondContact O-CB 3.15Å; L115-A118 PolarHBondContact O-N 2.91Å; L115-A118 VanDerWaalsContact O-N 3.11Å; A118-S120 VanDerWaalsContact C-N 3.28Å; A118-S120 PolarHBondContact O-N 2.84Å; A118-V121 PolarHBondContact O-N 3.45Å; A118-V121 VanDerWaalsContact O-N 3.14Å; A118-V122 WeakPolarHBondContact O-CG2 3.29Å; A118-V122 PolarHBondContact O-N 3.33Å; A118-F164 HydrophobicContact CB-CE2 3.79Å; A118-F164 HydrophobicContact CB-CZ 3.79Å
119R98.2Very high97.2Very high109 Ų10954.9 Ų54.941%0.41131%0.31SS..Hα-helixtrans-61.3-34.9175.5-69.6-170.2-69.1153.9-11.4112.9L115 D116 L117 V121 W127 P163 F164L115-R119 WeakPolarHBondContact O-CG 3.36Å; L115-R119 PolarHBondContact O-N 2.99Å; D116-R119 PolarHBondContact O-N 3.3Å; D116-R119 IonicContact OD1-CZ 2.74Å; D116-R119 IonicContact OD1-NE 2.59Å; D116-R119 PolarHBondContact OD1-NE 2.9Å; D116-R119 IonicContact OD1-NH2 3.27Å; D116-R119 PolarHBondContact OD1-NH2 3.02Å; D116-R119 IonicContact OD2-NH2 3.66Å; L117-R119 VanDerWaalsContact C-N 3.29Å; L117-R119 PolarHBondContact O-N 2.81Å; R119-V121 VanDerWaalsContact C-N 3.31Å; R119-W127 HydrophobicContact CB-CZ2 4.16Å; R119-W127 HydrophobicContact CG-CZ2 4.46Å; R119-P163 HydrophobicContact CG-CG 4.36Å; R119-F164 HydrophobicContact CG-CE2 3.77Å; R119-F164 HydrophobicContact CG-CZ 4.02Å
120S97.8Very high97.2Very high92 Ų9251.4 Ų51.464%0.64328%0.282SS*.Hα-helixtrans-72.7-23.9177.5770000113.6D116 L117 A118D116-S120 PolarHBondContact O-N 3.21Å; L117-S120 PolarHBondContact O-N 2.93Å; L117-S120 PolarHBondContact O-OG 3.31Å; A118-S120 VanDerWaalsContact C-N 3.28Å; A118-S120 PolarHBondContact O-N 2.84Å
121V97.4Very high97.1Very high26 Ų2651.1 Ų51.116%0.15828%0.277CS..Hα-helixtrans-95.6-41.2-175.7175.90000111.9V72 T89 L117 A118 R119V72-V121 HydrophobicContact CB-CG1 4.2Å; V72-V121 HydrophobicContact CG1-CB 4.13Å; V72-V121 HydrophobicContact CG1-CG1 3.68Å; T89-V121 HydrophobicContact CG2-CG2 3.75Å; L117-V121 HydrophobicContact CD1-CG2 4.33Å; L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 3.01Å; L117-V121 VanDerWaalsContact O-N 3.17Å; A118-V121 PolarHBondContact O-N 3.45Å; A118-V121 VanDerWaalsContact O-N 3.14Å; R119-V121 VanDerWaalsContact C-N 3.31Å
122V97.8Very high97.1Very high2 Ų251.1 Ų51.11%0.01228%0.277CS..SBendtrans-85.4127.7-177.4-175.40000109.4Y57 V59 V72 A118 Q126 W127 T130 F164Y57-V122 HydrophobicContact CD1-CG1 4.41Å; Y57-V122 HydrophobicContact CD1-CG2 4.06Å; Y57-V122 HydrophobicContact CD2-CG1 4.38Å; Y57-V122 HydrophobicContact CG-CG1 4.13Å; Y57-V122 HydrophobicContact CG-CG2 4.35Å; V59-V122 HydrophobicContact CG2-CG2 4.39Å; V72-V122 HydrophobicContact CG1-CG2 3.7Å; A118-V122 WeakPolarHBondContact O-CG2 3.29Å; A118-V122 PolarHBondContact O-N 3.33Å; V122-Q126 HydrophobicContact CG1-CB 3.89Å; V122-W127 PolarHBondContact O-NE1 2.97Å; V122-T130 HydrophobicContact CG1-CG2 4.34Å; V122-T130 HydrophobicContact CG2-CG2 4.32Å; V122-F164 HydrophobicContact CB-CE1 3.94Å; V122-F164 HydrophobicContact CB-CZ 4.35Å; V122-F164 HydrophobicContact CG1-CE1 4.12Å; V122-F164 HydrophobicContact CG2-CE1 4Å; V122-F164 HydrophobicContact CG2-CZ 4.33Å
123P96.8Very high97.1Very high46 Ų4647.6 Ų47.630%0.29926%0.26SS..  trans-59142176.4-24.534.2000112.2S125 Q126P123-S125 PolarHBondContact O-N 3.35Å; P123-S125 VanDerWaalsContact O-N 3.1Å; P123-Q126 HydrophobicContact CB-CG 4.44Å; P123-Q126 WeakPolarHBondContact O-CB 3.42Å; P123-Q126 PolarHBondContact O-N 2.88Å
124P96.7Very high97Very high90 Ų9046.1 Ų46.158%0.58425%0.248SC*.G310 helixtrans-54.6-33.8-178.8-29.235.4000115Q126 W127P124-Q126 PolarHBondContact O-N 2.87Å; P124-W127 HydrophobicContact CB-CD2 4.3Å; P124-W127 HydrophobicContact CB-CE3 4.34Å; P124-W127 HydrophobicContact CB-CH2 4.28Å; P124-W127 HydrophobicContact CB-CZ2 4.21Å; P124-W127 HydrophobicContact CB-CZ3 4.34Å; P124-W127 HydrophobicContact CG-CH2 4.21Å; P124-W127 HydrophobicContact CG-CZ2 3.94Å; P124-W127 PolarHBondContact O-N 3.03Å
125S95.6Very high96.9Very high101 Ų10147.4 Ų47.471%0.70625%0.253SS*.G310 helixtrans-66.5-15.2176.855.30000114.4P123P123-S125 PolarHBondContact O-N 3.35Å; P123-S125 VanDerWaalsContact O-N 3.1Å
126Q96Very high96.6Very high26 Ų2647 Ų4712%0.12125%0.251CS..G310 helixtrans-104.5-9.1-178.8-66.5-84.340.700112.7L55 Y57 V122 P123 P124 T128 R129 T130L55-Q126 PolarHBondContact O-NE2 2.83Å; L55-Q126 VanDerWaalsContact O-NE2 3.14Å; Y57-Q126 HydrophobicContact CD2-CB 4.27Å; Y57-Q126 HydrophobicContact CD2-CG 4.24Å; Y57-Q126 HydrophobicContact CE2-CG 4.14Å; V122-Q126 HydrophobicContact CG1-CB 3.89Å; P123-Q126 HydrophobicContact CB-CG 4.44Å; P123-Q126 WeakPolarHBondContact O-CB 3.42Å; P123-Q126 PolarHBondContact O-N 2.88Å; P124-Q126 PolarHBondContact O-N 2.87Å; Q126-T128 PolarHBondContact O-N 2.91Å; Q126-R129 PolarHBondContact O-N 3.17Å; Q126-R129 VanDerWaalsContact O-N 3.14Å; Q126-T130 WeakPolarHBondContact O-CB 3.21Å; Q126-T130 PolarHBondContact O-N 3.24Å; Q126-T130 PolarHBondContact O-OG1 2.92Å
127W96.6Very high95.9Very high64 Ų6444.1 Ų44.124%0.24224%0.236CC..G310 helixtrans-55.5-53-173.2-70.8-11.7000112.5R119 V122 P124 R129 T130 P163 F164R119-W127 HydrophobicContact CB-CZ2 4.16Å; R119-W127 HydrophobicContact CG-CZ2 4.46Å; V122-W127 PolarHBondContact O-NE1 2.97Å; P124-W127 HydrophobicContact CB-CD2 4.3Å; P124-W127 HydrophobicContact CB-CE3 4.34Å; P124-W127 HydrophobicContact CB-CH2 4.28Å; P124-W127 HydrophobicContact CB-CZ2 4.21Å; P124-W127 HydrophobicContact CB-CZ3 4.34Å; P124-W127 HydrophobicContact CG-CH2 4.21Å; P124-W127 HydrophobicContact CG-CZ2 3.94Å; P124-W127 PolarHBondContact O-N 3.03Å; W127-R129 PolarHBondContact O-N 3.27Å; W127-T130 PolarHBondContact O-N 3.06Å; W127-P163 CarbonylContact C-O 3.52Å; W127-P163 VanDerWaalsContact C-O 3.26Å; W127-P163 HydrophobicContact CB-CB 4.02Å; W127-P163 HydrophobicContact CB-CG 4.32Å; W127-P163 HydrophobicContact CD2-CB 4.05Å; W127-P163 HydrophobicContact CD2-CG 3.8Å; W127-P163 HydrophobicContact CE3-CB 3.55Å; W127-P163 HydrophobicContact CE3-CG 3.58Å; W127-P163 HydrophobicContact CG-CB 4.31Å; W127-P163 HydrophobicContact CG-CG 4.17Å; W127-P163 HydrophobicContact CZ3-CB 4.32Å; W127-P163 HydrophobicContact CZ3-CG 4.15Å; W127-F164 HydrophobicContact CB-CD1 4.35Å; W127-F164 HydrophobicContact CB-CE1 4.42Å; W127-F164 AromaticContact CD1-CE1 3.61Å; W127-F164 HydrophobicContact CG-CE1 4.17Å; W127-F164 WeakPolarHBondContact O-CA 3.25Å
128T95.6Very high94.9Very high103 Ų10342.9 Ų42.963%0.63223%0.231SC*.G310 helixtrans-66.8-10.8-176.757.50000114.6Q126 P163Q126-T128 PolarHBondContact O-N 2.91Å; T128-P163 PolarHBondContact N-O 3.1Å
129R93.3Very high93.6Very high175 Ų17543.4 Ų43.466%0.6624%0.237SC*.G310 helixtrans-108.9-7.8177.6-62.9176.965.7-1721.8112.9Q126 W127 P131Q126-R129 PolarHBondContact O-N 3.17Å; Q126-R129 VanDerWaalsContact O-N 3.14Å; W127-R129 PolarHBondContact O-N 3.27Å; R129-P131 WeakPolarHBondContact O-CD 3.43Å
130T95.9Very high92.9Very high1 Ų138.3 Ų38.31%0.00622%0.218CC..SBendtrans-92.2111.5-176.6-63.40000108.4V59 V122 Q126 W127 V132 F164 L165V59-T130 HydrophobicContact CG2-CG2 3.83Å; V122-T130 HydrophobicContact CG1-CG2 4.34Å; V122-T130 HydrophobicContact CG2-CG2 4.32Å; Q126-T130 WeakPolarHBondContact O-CB 3.21Å; Q126-T130 PolarHBondContact O-N 3.24Å; Q126-T130 PolarHBondContact O-OG1 2.92Å; W127-T130 PolarHBondContact O-N 3.06Å; T130-V132 PolarHBondContact O-N 2.82Å; T130-F164 HydrophobicContact CG2-CD1 3.99Å; T130-F164 HydrophobicContact CG2-CE1 4.19Å; T130-L165 WeakPolarHBondContact O-CB 3.17Å; T130-L165 PolarHBondContact O-N 3.43Å
131P96Very high92Very high10 Ų1037.9 Ų37.97%0.06520%0.202CC..BIsolated β-bridgetrans-62.9135.917725.5-34.4000111.1Y57 V59 R129 V133 L165 L404 L407Y57-P131 WeakPolarHBondContact O-CD 3.3Å; V59-P131 PolarHBondContact N-O 3.36Å; R129-P131 WeakPolarHBondContact O-CD 3.43Å; P131-V133 HydrophobicContact CB-CG2 4.48Å; P131-L165 CarbonylContact C-O 3.58Å; P131-L165 VanDerWaalsContact CA-O 3.29Å; P131-L165 WeakPolarHBondContact CA-O 3.3Å; P131-L404 HydrophobicContact CG-CD2 3.74Å; P131-L407 HydrophobicContact CB-CD1 3.87Å; P131-L407 HydrophobicContact CG-CD1 3.89Å
132V97.7Very high90.9Very high1 Ų140.8 Ų40.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-112.5121167.764.70000109.2V59 F61 L115 T130 F159 F164 L165V59-V132 HydrophobicContact CB-CB 4.29Å; V59-V132 HydrophobicContact CB-CG2 4.12Å; V59-V132 HydrophobicContact CG1-CG2 3.95Å; V59-V132 WeakPolarHBondContact O-CA 3.34Å; F61-V132 HydrophobicContact CD2-CG2 4.22Å; F61-V132 HydrophobicContact CE2-CG2 3.86Å; L115-V132 HydrophobicContact CD2-CG2 4Å; T130-V132 PolarHBondContact O-N 2.82Å; V132-F159 HydrophobicContact CB-CD2 4.43Å; V132-F159 HydrophobicContact CG1-CB 4.21Å; V132-F159 HydrophobicContact CG1-CD2 3.87Å; V132-F159 HydrophobicContact CG1-CE2 4.42Å; V132-F159 HydrophobicContact CG1-CG 4.05Å; V132-F159 HydrophobicContact CG2-CD1 4.31Å; V132-F159 HydrophobicContact CG2-CD2 3.94Å; V132-F159 HydrophobicContact CG2-CE1 4.04Å; V132-F159 HydrophobicContact CG2-CE2 3.67Å; V132-F159 HydrophobicContact CG2-CG 4.26Å; V132-F159 HydrophobicContact CG2-CZ 3.72Å; V132-F164 HydrophobicContact CB-CB 3.75Å; V132-F164 HydrophobicContact CB-CG 4.34Å; V132-F164 HydrophobicContact CG1-CB 3.57Å; V132-L165 PolarHBondContact N-O 2.82Å
133V97.4Very high90Very high6 Ų641.8 Ų41.84%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-131.1141.1-173179.70000108.9V59 M60 F61 P131 K135 G170V59-V133 PolarHBondContact O-N 2.88Å; M60-V133 CarbonylContact C-O 3.07Å; M60-V133 HydrophobicContact CE-CB 3.87Å; M60-V133 HydrophobicContact CE-CG1 3.8Å; M60-V133 HydrophobicContact SD-CB 4.04Å; M60-V133 HydrophobicContact SD-CG1 3.89Å; F61-V133 PolarHBondContact N-O 3.38Å; P131-V133 HydrophobicContact CB-CG2 4.48Å; V133-K135 HydrophobicContact CG1-CD 4.37Å; V133-K135 HydrophobicContact CG1-CG 4.07Å; V133-G170 CarbonylContact C-O 3.5Å; V133-G170 VanDerWaalsContact CA-O 3.23Å; V133-G170 WeakPolarHBondContact CA-O 3.43Å; V133-G170 WeakPolarHBondContact CG1-O 3.34Å
134L97.3Very high89.2Confident0 Ų043.8 Ų43.80%023%0.234CC..EExtended strand (participates in β ladder)trans-123.3129.2168.8-174.7144.6000109.8F61 A63 L97 I111 A136 L152 V155 F159 G170 V171 S172F61-L134 HydrophobicContact CB-CB 3.77Å; F61-L134 HydrophobicContact CB-CD1 3.67Å; F61-L134 HydrophobicContact CB-CG 3.69Å; F61-L134 HydrophobicContact CD1-CD1 4.23Å; F61-L134 HydrophobicContact CG-CD1 4.22Å; F61-L134 WeakPolarHBondContact O-CA 3.25Å; A63-L134 HydrophobicContact CB-CD1 4.23Å; A63-L134 HydrophobicContact CB-CD2 3.91Å; A63-L134 HydrophobicContact CB-CG 4.23Å; L97-L134 HydrophobicContact CD1-CD1 4.15Å; L97-L134 HydrophobicContact CD1-CD2 4.31Å; I111-L134 HydrophobicContact CD1-CD1 4.3Å; L134-A136 HydrophobicContact CD2-CB 4.38Å; L134-L152 HydrophobicContact CD2-CD2 4.03Å; L134-V155 HydrophobicContact CB-CG1 4.21Å; L134-V155 HydrophobicContact CD1-CG1 3.79Å; L134-V155 HydrophobicContact CD1-CG2 4.32Å; L134-V155 HydrophobicContact CG-CG1 4.44Å; L134-F159 HydrophobicContact CB-CE2 3.77Å; L134-F159 HydrophobicContact CB-CZ 3.85Å; L134-F159 HydrophobicContact CD1-CZ 4.48Å; L134-G170 PolarHBondContact N-O 3.31Å; L134-V171 HydrophobicContact CB-CG1 4.34Å; L134-V171 HydrophobicContact CB-CG2 4.28Å; L134-V171 HydrophobicContact CD2-CG1 4.18Å; L134-V171 WeakPolarHBondContact O-CA 3.37Å; L134-S172 PolarHBondContact O-N 3.19Å; L134-S172 VanDerWaalsContact O-N 3.1Å
135K95.2Very high88.6Confident26 Ų2643.2 Ų43.211%0.11325%0.245CC..EExtended strand (participates in β ladder)trans-122.1119.3172.4-62.2-68.3175.4-174.60108.6M60 F61 A63 V133 D169 S172 M174 W395M60-K135 HydrophobicContact SD-CG 4.23Å; F61-K135 PolarHBondContact O-N 3.06Å; A63-K135 PolarHBondContact N-O 3.34Å; V133-K135 HydrophobicContact CG1-CD 4.37Å; V133-K135 HydrophobicContact CG1-CG 4.07Å; K135-D169 PolarHBondContact NZ-O 3.42Å; K135-S172 WeakPolarHBondContact CA-O 3.35Å; K135-S172 WeakPolarHBondContact CD-OG 3.25Å; K135-S172 PolarHBondContact NZ-OG 3.36Å; K135-M174 HydrophobicContact CB-CB 4.18Å; K135-M174 HydrophobicContact CB-CE 3.71Å; K135-M174 HydrophobicContact CD-CE 4.18Å; K135-M174 HydrophobicContact CG-CE 3.64Å; K135-W395 HydrophobicContact CB-CH2 3.52Å; K135-W395 HydrophobicContact CB-CZ2 4.4Å; K135-W395 HydrophobicContact CB-CZ3 3.82Å; K135-W395 HydrophobicContact CG-CH2 4.46Å; K135-W395 HydrophobicContact CG-CZ3 4.32Å
136A91.9Very high88.4Confident0 Ų043.1 Ų43.10%024%0.236CC..EExtended strand (participates in β ladder)trans-90146.6174.500000110.8A63 L134 L140 L152 S172 I173 M174A63-A136 HydrophobicContact CB-CB 4.01Å; A63-A136 WeakPolarHBondContact O-CA 3.23Å; L134-A136 HydrophobicContact CD2-CB 4.38Å; A136-L140 HydrophobicContact CB-CB 3.99Å; A136-L140 HydrophobicContact CB-CD1 4.48Å; A136-L140 HydrophobicContact CB-CD2 3.63Å; A136-L140 HydrophobicContact CB-CG 4.22Å; A136-L152 HydrophobicContact CB-CD2 4.4Å; A136-S172 PolarHBondContact N-O 2.76Å; A136-I173 HydrophobicContact CB-CG1 4.42Å; A136-M174 PolarHBondContact O-N 2.66Å
137T84.6Confident88.2Confident13 Ų1344.5 Ų44.58%0.0824%0.242CC..  trans-105.2-159.7-177.861.40000111.7A63 G139 L140 W395A63-T137 PolarHBondContact O-N 3.38Å; T137-G139 PolarHBondContact O-N 3.38Å; T137-L140 PolarHBondContact O-N 2.83Å; T137-W395 HydrophobicContact CG2-CZ2 3.94Å
138A76.1Confident88Confident9 Ų942 Ų427%0.07424%0.235CC..Hα-helixtrans-51.2-32.2-172.900000114.5L140 R141 L142A138-L140 VanDerWaalsContact C-N 3.3Å; A138-L140 PolarHBondContact O-N 2.98Å; A138-R141 WeakPolarHBondContact O-CB 3.43Å; A138-R141 PolarHBondContact O-N 3.07Å; A138-R141 VanDerWaalsContact O-N 3.14Å; A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 3.13Å
139G72.8Confident87.9Confident12 Ų1241.1 Ų41.112%0.12422%0.224CC..Hα-helixtrans-57.7-38.3-179.300000114.3T137T137-G139 PolarHBondContact O-N 3.38Å
140L82.8Confident88Confident1 Ų136.8 Ų36.81%0.00521%0.211CC..Hα-helixtrans-82.7-27.8177.9-92.768000112.2L97 A136 T137 A138 L142 L143 L152 I173L97-L140 HydrophobicContact CB-CD1 3.8Å; L97-L140 HydrophobicContact CB-CD2 4.22Å; L97-L140 HydrophobicContact CD1-CD2 4.24Å; A136-L140 HydrophobicContact CB-CB 3.99Å; A136-L140 HydrophobicContact CB-CD1 4.48Å; A136-L140 HydrophobicContact CB-CD2 3.63Å; A136-L140 HydrophobicContact CB-CG 4.22Å; T137-L140 PolarHBondContact O-N 2.83Å; A138-L140 VanDerWaalsContact C-N 3.3Å; A138-L140 PolarHBondContact O-N 2.98Å; L140-L142 PolarHBondContact O-N 3.4Å; L140-L143 HydrophobicContact CG-CD1 4.12Å; L140-L143 PolarHBondContact O-N 3.5Å; L140-L152 HydrophobicContact CD2-CD2 4.17Å; L140-I173 HydrophobicContact CB-CD1 4.41Å
141R77.8Confident88Confident83 Ų8336.7 Ų36.731%0.31321%0.21SC..Hα-helixtrans-59.9-28.3176-62.8-178.4-159.1146.113.3112.4A138 I173 M174 D175 E179A138-R141 WeakPolarHBondContact O-CB 3.43Å; A138-R141 PolarHBondContact O-N 3.07Å; A138-R141 VanDerWaalsContact O-N 3.14Å; R141-I173 HydrophobicContact CG-CG2 3.36Å; R141-M174 PolarHBondContact NE-O 3.47Å; R141-M174 PolarHBondContact NH2-O 3.3Å; R141-D175 VanDerWaalsContact NH2-C 3.3Å; R141-E179 IonicContact NH2-OE2 3.99Å; R141-E179 PolarHBondContact NH2-OE2 3.46Å
142L74.6Confident88Confident87 Ų8736.3 Ų36.346%0.45521%0.207SC..THydrogen-bonded Turntrans-89-6.4-175.2-63175000113.8A138 L140A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 3.13Å; L140-L142 PolarHBondContact O-N 3.4Å
143L80Confident88Confident24 Ų2440 Ų4013%0.12623%0.227CC..  trans-70.2138.1179.7-66.5177.2000110.8A101 L140 K147 A148 L151A101-L143 HydrophobicContact CB-CD1 3.82Å; A101-L143 HydrophobicContact CB-CD2 3.75Å; A101-L143 HydrophobicContact CB-CG 4.4Å; L140-L143 HydrophobicContact CG-CD1 4.12Å; L140-L143 PolarHBondContact O-N 3.5Å; L143-K147 HydrophobicContact CB-CB 4.37Å; L143-A148 HydrophobicContact CB-CB 4.35Å; L143-A148 HydrophobicContact CD1-CB 4.34Å; L143-L151 HydrophobicContact CD1-CD1 3.87Å
144P79.3Confident87.9Confident87 Ų8741.9 Ų41.957%0.56523%0.234SC*.  trans-76.9149.5-179.330.8-34.3000112.1K147P144-K147 HydrophobicContact CG-CD 4.27Å; P144-K147 WeakPolarHBondContact O-CG 3.25Å
145G84.7Confident88Confident78 Ų7841.9 Ų41.980%0.80423%0.234SC*.THydrogen-bonded Turntrans67.8-138.4172.800000113.1
146D91.1Very high88.1Confident100 Ų10042.2 Ų42.254%0.53523%0.234SC..THydrogen-bonded Turntrans-96.53.7-177.763.7-23.1000113.3A148 E149 Q150D146-A148 VanDerWaalsContact C-N 3.3Å; D146-A148 PolarHBondContact O-N 3.43Å; D146-E149 PolarHBondContact O-N 3.34Å; D146-Q150 WeakPolarHBondContact O-CG 3.43Å; D146-Q150 PolarHBondContact O-N 2.86Å; D146-Q150 PolarHBondContact OD1-NE2 2.88Å; D146-Q150 PolarHBondContact OD2-NE2 3.09Å
147K91.8Very high88.3Confident54 Ų5443.4 Ų43.424%0.23524%0.244CC..Hα-helixtrans-55.2-42.2-176.7-71.6-179.6164.5-168.40113.4A101 D102 L143 P144 E149 Q150 L151A101-K147 HydrophobicContact CB-CB 4.34Å; A101-K147 HydrophobicContact CB-CD 4.14Å; D102-K147 VanDerWaalsContact OD1-CE 3.31Å; D102-K147 WeakPolarHBondContact OD1-CE 2.97Å; D102-K147 IonicContact OD1-NZ 2.65Å; D102-K147 PolarHBondContact OD1-NZ 3.06Å; L143-K147 HydrophobicContact CB-CB 4.37Å; P144-K147 HydrophobicContact CG-CD 4.27Å; P144-K147 WeakPolarHBondContact O-CG 3.25Å; K147-E149 VanDerWaalsContact C-N 3.33Å; K147-Q150 PolarHBondContact O-N 3.4Å; K147-L151 PolarHBondContact O-N 2.92Å; K147-L151 VanDerWaalsContact O-N 3.13Å
148A91.6Very high89Confident11 Ų1143 Ų439%0.09124%0.242CC..Hα-helixtrans-61.8-43.7177.100000111.1L143 D146 L151 L152 I173L143-A148 HydrophobicContact CB-CB 4.35Å; L143-A148 HydrophobicContact CD1-CB 4.34Å; D146-A148 VanDerWaalsContact C-N 3.3Å; D146-A148 PolarHBondContact O-N 3.43Å; A148-L151 WeakPolarHBondContact O-CB 3.35Å; A148-L151 PolarHBondContact O-N 3.02Å; A148-L152 VanDerWaalsContact O-CG 3.29Å; A148-L152 WeakPolarHBondContact O-CG 3.26Å; A148-L152 PolarHBondContact O-N 2.99Å; A148-I173 HydrophobicContact CB-CD1 4.15Å
149E94.5Very high90Very high86 Ų8642.6 Ų42.640%0.40224%0.238SC..Hα-helixtrans-68.7-40.8-179.2-164.559.7-157.800111.7D146 K147 L151 L152 D153 R156D146-E149 PolarHBondContact O-N 3.34Å; K147-E149 VanDerWaalsContact C-N 3.33Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.02Å; E149-L152 PolarHBondContact O-N 3.4Å; E149-L152 VanDerWaalsContact O-N 3.12Å; E149-D153 WeakPolarHBondContact O-CB 3.42Å; E149-D153 PolarHBondContact O-N 3.19Å; E149-R156 IonicContact OE1-CZ 3.33Å; E149-R156 IonicContact OE1-NH1 2.8Å; E149-R156 PolarHBondContact OE1-NH1 3.27Å; E149-R156 IonicContact OE1-NH2 3.08Å; E149-R156 PolarHBondContact OE1-NH2 2.92Å; E149-R156 VanDerWaalsContact OE1-NH2 3.08Å; E149-R156 IonicContact OE2-NH2 2.72Å
150Q95.3Very high91.1Very high83 Ų8349.9 Ų49.939%0.38826%0.262SS..Hα-helixtrans-59.6-38.7174.9-66.1-178.823.900112.5P104 D146 K147 R154P104-Q150 HydrophobicContact CG-CB 3.98Å; D146-Q150 WeakPolarHBondContact O-CG 3.43Å; D146-Q150 PolarHBondContact O-N 2.86Å; D146-Q150 PolarHBondContact OD1-NE2 2.88Å; D146-Q150 PolarHBondContact OD2-NE2 3.09Å; K147-Q150 PolarHBondContact O-N 3.4Å; Q150-R154 PolarHBondContact O-N 2.75Å; Q150-R154 VanDerWaalsContact O-N 3.12Å
151L95.6Very high91.8Very high0 Ų056.7 Ų56.70%029%0.294CS..Hα-helixtrans-64.2-46.3173.2-79.9167.5000111.7L97 A101 P104 C107 L143 K147 A148 E149 R154 V155L97-L151 WeakPolarHBondContact O-CD1 3.16Å; A101-L151 HydrophobicContact CB-CD1 4.27Å; P104-L151 HydrophobicContact CB-CD2 3.95Å; P104-L151 HydrophobicContact CB-CG 4.38Å; P104-L151 HydrophobicContact CG-CD2 4.34Å; P104-L151 HydrophobicContact CG-CG 4.4Å; C107-L151 HydrophobicContact CB-CD2 4.48Å; L143-L151 HydrophobicContact CD1-CD1 3.87Å; K147-L151 PolarHBondContact O-N 2.92Å; K147-L151 VanDerWaalsContact O-N 3.13Å; A148-L151 WeakPolarHBondContact O-CB 3.35Å; A148-L151 PolarHBondContact O-N 3.02Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.02Å; L151-R154 PolarHBondContact O-N 2.95Å; L151-V155 WeakPolarHBondContact O-CG2 3.43Å; L151-V155 PolarHBondContact O-N 2.81Å; L151-V155 VanDerWaalsContact O-N 3.11Å
152L96.3Very high92.7Very high1 Ų153.7 Ų53.71%0.00529%0.285CS..Hα-helixtrans-65.6-40.2179.4-64.9173.6000111.7L134 A136 L140 A148 E149 R154 V155 R156 V171 I173L134-L152 HydrophobicContact CD2-CD2 4.03Å; A136-L152 HydrophobicContact CB-CD2 4.4Å; L140-L152 HydrophobicContact CD2-CD2 4.17Å; A148-L152 VanDerWaalsContact O-CG 3.29Å; A148-L152 WeakPolarHBondContact O-CG 3.26Å; A148-L152 PolarHBondContact O-N 2.99Å; E149-L152 PolarHBondContact O-N 3.4Å; E149-L152 VanDerWaalsContact O-N 3.12Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 3.43Å; L152-V155 CarbonylContact O-C 3.58Å; L152-V155 WeakPolarHBondContact O-CB 3.26Å; L152-V155 PolarHBondContact O-N 3.42Å; L152-V155 VanDerWaalsContact O-N 3.12Å; L152-R156 WeakPolarHBondContact O-CG 3.32Å; L152-R156 PolarHBondContact O-N 3.03Å; L152-V171 HydrophobicContact CB-CG1 4.03Å; L152-V171 HydrophobicContact CD2-CG1 3.74Å; L152-V171 HydrophobicContact CG-CG1 4.44Å; L152-I173 HydrophobicContact CD1-CD1 4.26Å; L152-I173 HydrophobicContact CD1-CG1 3.69Å
153D96.4Very high93.8Very high78 Ų7851.7 Ų51.742%0.41728%0.278SS..Hα-helixtrans-60.2-39.5174-84.1-25.5000112.1E149 V155 R156 A157E149-D153 WeakPolarHBondContact O-CB 3.42Å; E149-D153 PolarHBondContact O-N 3.19Å; D153-V155 VanDerWaalsContact C-N 3.34Å; D153-V155 PolarHBondContact O-N 3.37Å; D153-R156 PolarHBondContact O-N 2.89Å; D153-R156 IonicContact OD1-CZ 3.84Å; D153-R156 IonicContact OD1-NH1 3.88Å; D153-R156 PolarHBondContact OD1-NH1 3.07Å; D153-A157 PolarHBondContact O-N 3.12Å
154R97.1Very high94.6Very high47 Ų4751 Ų5118%0.17727%0.274CS..Hα-helixtrans-63.2-42.5174.5-177.453.9-177.5150.8-3.4111.6P104 Q105 S108 Q150 L151 L152 A157 L158P104-R154 HydrophobicContact CB-CB 4.38Å; Q105-R154 VanDerWaalsContact OE1-NE 3.07Å; S108-R154 PolarHBondContact OG-NE 2.98Å; S108-R154 PolarHBondContact OG-NH2 3.07Å; Q150-R154 PolarHBondContact O-N 2.75Å; Q150-R154 VanDerWaalsContact O-N 3.12Å; L151-R154 PolarHBondContact O-N 2.95Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 3.43Å; R154-A157 PolarHBondContact O-N 2.82Å; R154-L158 WeakPolarHBondContact O-CG 3.41Å; R154-L158 PolarHBondContact O-N 3.36Å
155V97.8Very high95.4Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-63.4-44.9174.9174.50000111L97 I111 L134 L151 L152 D153 A157 L158 F159 V171L97-V155 HydrophobicContact CD1-CG2 4.2Å; I111-V155 HydrophobicContact CG1-CG2 4.35Å; L134-V155 HydrophobicContact CB-CG1 4.21Å; L134-V155 HydrophobicContact CD1-CG1 3.79Å; L134-V155 HydrophobicContact CD1-CG2 4.32Å; L134-V155 HydrophobicContact CG-CG1 4.44Å; L151-V155 WeakPolarHBondContact O-CG2 3.43Å; L151-V155 PolarHBondContact O-N 2.81Å; L151-V155 VanDerWaalsContact O-N 3.11Å; L152-V155 CarbonylContact O-C 3.58Å; L152-V155 WeakPolarHBondContact O-CB 3.26Å; L152-V155 PolarHBondContact O-N 3.42Å; L152-V155 VanDerWaalsContact O-N 3.12Å; D153-V155 VanDerWaalsContact C-N 3.34Å; D153-V155 PolarHBondContact O-N 3.37Å; V155-A157 VanDerWaalsContact C-N 3.28Å; V155-A157 PolarHBondContact O-N 2.62Å; V155-L158 PolarHBondContact O-N 2.77Å; V155-L158 VanDerWaalsContact O-N 3.1Å; V155-F159 HydrophobicContact CG1-CD1 4.08Å; V155-F159 HydrophobicContact CG1-CD2 4.39Å; V155-F159 HydrophobicContact CG1-CE1 3.81Å; V155-F159 HydrophobicContact CG1-CE2 4.12Å; V155-F159 HydrophobicContact CG1-CG 4.37Å; V155-F159 HydrophobicContact CG1-CZ 3.84Å; V155-F159 PolarHBondContact O-N 3.33Å; V155-V171 HydrophobicContact CB-CG1 4.08Å; V155-V171 HydrophobicContact CG1-CG1 3.92Å; V155-V171 HydrophobicContact CG1-CG2 3.94Å
156R97.8Very high95.8Very high32 Ų3247.9 Ų47.912%0.12124%0.236CC..Hα-helixtrans-56.2-43.3177-72.2176.7-164.2125-2.5111.5E149 L152 D153 F159 R160 V171E149-R156 IonicContact OE1-CZ 3.33Å; E149-R156 IonicContact OE1-NH1 2.8Å; E149-R156 PolarHBondContact OE1-NH1 3.27Å; E149-R156 IonicContact OE1-NH2 3.08Å; E149-R156 PolarHBondContact OE1-NH2 2.92Å; E149-R156 VanDerWaalsContact OE1-NH2 3.08Å; E149-R156 IonicContact OE2-NH2 2.72Å; L152-R156 WeakPolarHBondContact O-CG 3.32Å; L152-R156 PolarHBondContact O-N 3.03Å; D153-R156 PolarHBondContact O-N 2.89Å; D153-R156 IonicContact OD1-CZ 3.84Å; D153-R156 IonicContact OD1-NH1 3.88Å; D153-R156 PolarHBondContact OD1-NH1 3.07Å; R156-F159 PolarHBondContact O-N 3.13Å; R156-R160 VanDerWaalsContact O-CG 3.31Å; R156-R160 WeakPolarHBondContact O-CG 3.47Å; R156-R160 PolarHBondContact O-N 3.37Å; R156-V171 HydrophobicContact CG-CB 3.52Å; R156-V171 HydrophobicContact CG-CG1 3.96Å; R156-V171 HydrophobicContact CG-CG2 3.79Å; R156-V171 PolarHBondContact NE-O 2.85Å; R156-V171 PolarHBondContact NH2-O 3.42Å; R156-V171 VanDerWaalsContact NH2-O 3.07Å
157A97.1Very high95.7Very high26 Ų2645.3 Ų45.322%0.21522%0.224CC..Hα-helixtrans-59.5-46.9175.700000111.8D153 R154 V155 F159 R160 E161D153-A157 PolarHBondContact O-N 3.12Å; R154-A157 PolarHBondContact O-N 2.82Å; V155-A157 VanDerWaalsContact C-N 3.28Å; V155-A157 PolarHBondContact O-N 2.62Å; A157-F159 VanDerWaalsContact C-N 3.33Å; A157-F159 PolarHBondContact O-N 3.4Å; A157-R160 PolarHBondContact O-N 3Å; A157-E161 WeakPolarHBondContact O-CG 3.31Å; A157-E161 PolarHBondContact O-N 2.83Å
158L97.9Very high95.2Very high5 Ų551.2 Ų51.23%0.02625%0.253CS..Hα-helixtrans-63.9-36.3177.9-65.6169.6000112.7I111 M112 R154 V155 E161 S162I111-L158 HydrophobicContact CB-CD1 4.02Å; I111-L158 HydrophobicContact CG2-CB 4.48Å; I111-L158 HydrophobicContact CG2-CD1 3.99Å; M112-L158 HydrophobicContact CE-CD2 3.95Å; M112-L158 HydrophobicContact CG-CD2 4.25Å; R154-L158 WeakPolarHBondContact O-CG 3.41Å; R154-L158 PolarHBondContact O-N 3.36Å; V155-L158 PolarHBondContact O-N 2.77Å; V155-L158 VanDerWaalsContact O-N 3.1Å; L158-E161 PolarHBondContact O-N 2.9Å; L158-S162 PolarHBondContact O-N 3.31Å; L158-S162 VanDerWaalsContact O-N 3.16Å
159F97.8Very high94.9Very high0 Ų055.2 Ų55.20%027%0.272CS..Hα-helixtrans-69.8-39.3177.1-77.713.9000111.7F61 I111 L115 V132 L134 V155 R156 A157 E161 S162 V171F61-F159 HydrophobicContact CD2-CE1 4.35Å; F61-F159 AromaticContact CD2-CZ 3.67Å; F61-F159 HydrophobicContact CD2-CZ 3.67Å; F61-F159 HydrophobicContact CE2-CE1 4.08Å; F61-F159 AromaticContact CE2-CZ 3.83Å; F61-F159 HydrophobicContact CE2-CZ 3.83Å; F61-F159 HydrophobicContact CG-CZ 4.05Å; F61-F159 HydrophobicContact CZ-CE1 4.2Å; F61-F159 HydrophobicContact CZ-CZ 4.32Å; I111-F159 HydrophobicContact CG2-CE1 4.01Å; L115-F159 HydrophobicContact CD1-CD1 4.17Å; L115-F159 HydrophobicContact CD1-CE1 4.34Å; L115-F159 HydrophobicContact CD2-CD1 4.17Å; L115-F159 HydrophobicContact CD2-CE1 4.01Å; L115-F159 HydrophobicContact CG-CE1 4.39Å; V132-F159 HydrophobicContact CB-CD2 4.43Å; V132-F159 HydrophobicContact CG1-CB 4.21Å; V132-F159 HydrophobicContact CG1-CD2 3.87Å; V132-F159 HydrophobicContact CG1-CE2 4.42Å; V132-F159 HydrophobicContact CG1-CG 4.05Å; V132-F159 HydrophobicContact CG2-CD1 4.31Å; V132-F159 HydrophobicContact CG2-CD2 3.94Å; V132-F159 HydrophobicContact CG2-CE1 4.04Å; V132-F159 HydrophobicContact CG2-CE2 3.67Å; V132-F159 HydrophobicContact CG2-CG 4.26Å; V132-F159 HydrophobicContact CG2-CZ 3.72Å; L134-F159 HydrophobicContact CB-CE2 3.77Å; L134-F159 HydrophobicContact CB-CZ 3.85Å; L134-F159 HydrophobicContact CD1-CZ 4.48Å; V155-F159 HydrophobicContact CG1-CD1 4.08Å; V155-F159 HydrophobicContact CG1-CD2 4.39Å; V155-F159 HydrophobicContact CG1-CE1 3.81Å; V155-F159 HydrophobicContact CG1-CE2 4.12Å; V155-F159 HydrophobicContact CG1-CG 4.37Å; V155-F159 HydrophobicContact CG1-CZ 3.84Å; V155-F159 PolarHBondContact O-N 3.33Å; R156-F159 PolarHBondContact O-N 3.13Å; A157-F159 VanDerWaalsContact C-N 3.33Å; A157-F159 PolarHBondContact O-N 3.4Å; F159-E161 VanDerWaalsContact C-N 3.3Å; F159-E161 PolarHBondContact O-N 2.82Å; F159-S162 VanDerWaalsContact O-CB 3.32Å; F159-S162 WeakPolarHBondContact O-CB 3.49Å; F159-S162 PolarHBondContact O-N 3.01Å; F159-S162 VanDerWaalsContact O-N 3.1Å; F159-S162 PolarHBondContact O-OG 3.17Å; F159-V171 HydrophobicContact CD2-CG2 3.52Å; F159-V171 HydrophobicContact CE2-CG2 3.74Å; F159-V171 HydrophobicContact CG-CG2 4.36Å
160R96.4Very high94.7Very high164 Ų16451.1 Ų51.162%0.61925%0.253SS*.Hα-helixtrans-64.2-32.3173.4-70175.2-163.9139.71.1113R156 A157 S162R156-R160 VanDerWaalsContact O-CG 3.31Å; R156-R160 WeakPolarHBondContact O-CG 3.47Å; R156-R160 PolarHBondContact O-N 3.37Å; A157-R160 PolarHBondContact O-N 3Å; R160-S162 VanDerWaalsContact C-N 3.28Å
161E96.4Very high94.7Very high144 Ų14447.2 Ų47.267%0.67324%0.235SC*.Hα-helixtrans-76.4-16.9174.4-71.3171-161.200112.7A157 L158 F159A157-E161 WeakPolarHBondContact O-CG 3.31Å; A157-E161 PolarHBondContact O-N 2.83Å; L158-E161 PolarHBondContact O-N 2.9Å; F159-E161 VanDerWaalsContact C-N 3.3Å; F159-E161 PolarHBondContact O-N 2.82Å
162S97.3Very high94.7Very high20 Ų2048.7 Ų48.714%0.1425%0.245CC..SBendtrans-79.1158.6178.489.90000111.8L158 F159 R160 F164L158-S162 PolarHBondContact O-N 3.31Å; L158-S162 VanDerWaalsContact O-N 3.16Å; F159-S162 VanDerWaalsContact O-CB 3.32Å; F159-S162 WeakPolarHBondContact O-CB 3.49Å; F159-S162 PolarHBondContact O-N 3.01Å; F159-S162 VanDerWaalsContact O-N 3.1Å; F159-S162 PolarHBondContact O-OG 3.17Å; R160-S162 VanDerWaalsContact C-N 3.28Å; S162-F164 PolarHBondContact O-N 3.33Å; S162-F164 PolarHBondContact OG-N 2.82Å
163P97.4Very high94.4Very high45 Ų4551.3 Ų51.329%0.29226%0.259SS..SBendtrans-77.9-1.8177.934.1-37.2000113.6R119 W127 T128R119-P163 HydrophobicContact CG-CG 4.36Å; W127-P163 CarbonylContact C-O 3.52Å; W127-P163 VanDerWaalsContact C-O 3.26Å; W127-P163 HydrophobicContact CB-CB 4.02Å; W127-P163 HydrophobicContact CB-CG 4.32Å; W127-P163 HydrophobicContact CD2-CB 4.05Å; W127-P163 HydrophobicContact CD2-CG 3.8Å; W127-P163 HydrophobicContact CE3-CB 3.55Å; W127-P163 HydrophobicContact CE3-CG 3.58Å; W127-P163 HydrophobicContact CG-CB 4.31Å; W127-P163 HydrophobicContact CG-CG 4.17Å; W127-P163 HydrophobicContact CZ3-CB 4.32Å; W127-P163 HydrophobicContact CZ3-CG 4.15Å; T128-P163 PolarHBondContact N-O 3.1Å
164F97.9Very high94.1Very high11 Ų1148.1 Ų48.15%0.04824%0.242CC..SBendtrans-81.4159-177.3-66.4-63.7000112.2V59 L115 A118 R119 V122 W127 T130 V132 S162 S166V59-F164 HydrophobicContact CG2-CE1 4.37Å; V59-F164 HydrophobicContact CG2-CZ 4.48Å; L115-F164 HydrophobicContact CD2-CD2 4.28Å; A118-F164 HydrophobicContact CB-CE2 3.79Å; A118-F164 HydrophobicContact CB-CZ 3.79Å; R119-F164 HydrophobicContact CG-CE2 3.77Å; R119-F164 HydrophobicContact CG-CZ 4.02Å; V122-F164 HydrophobicContact CB-CE1 3.94Å; V122-F164 HydrophobicContact CB-CZ 4.35Å; V122-F164 HydrophobicContact CG1-CE1 4.12Å; V122-F164 HydrophobicContact CG2-CE1 4Å; V122-F164 HydrophobicContact CG2-CZ 4.33Å; W127-F164 HydrophobicContact CB-CD1 4.35Å; W127-F164 HydrophobicContact CB-CE1 4.42Å; W127-F164 AromaticContact CD1-CE1 3.61Å; W127-F164 HydrophobicContact CG-CE1 4.17Å; W127-F164 WeakPolarHBondContact O-CA 3.25Å; T130-F164 HydrophobicContact CG2-CD1 3.99Å; T130-F164 HydrophobicContact CG2-CE1 4.19Å; V132-F164 HydrophobicContact CB-CB 3.75Å; V132-F164 HydrophobicContact CB-CG 4.34Å; V132-F164 HydrophobicContact CG1-CB 3.57Å; S162-F164 PolarHBondContact O-N 3.33Å; S162-F164 PolarHBondContact OG-N 2.82Å; F164-S166 PolarHBondContact O-N 2.99Å; F164-S166 VanDerWaalsContact O-N 3.16Å
165L95.4Very high93.5Very high63 Ų6349.7 Ų49.733%0.3325%0.254SS..BIsolated β-bridgetrans-70.9108.5174.5178.465000109.5T130 P131 V132 L407T130-L165 WeakPolarHBondContact O-CB 3.17Å; T130-L165 PolarHBondContact O-N 3.43Å; P131-L165 CarbonylContact C-O 3.58Å; P131-L165 VanDerWaalsContact CA-O 3.29Å; P131-L165 WeakPolarHBondContact CA-O 3.3Å; V132-L165 PolarHBondContact N-O 2.82Å; L165-L407 HydrophobicContact CD2-CD1 4.48Å
166S93.9Very high92.7Very high35 Ų3549.7 Ų49.725%0.24525%0.254CS..  trans-107.2129.9173.6-174.90000109.9F164F164-S166 PolarHBondContact O-N 2.99Å; F164-S166 VanDerWaalsContact O-N 3.16Å
167T87.9Confident92.1Very high47 Ų4748.6 Ų48.629%0.28825%0.251SS..  trans-101.7165.6171.564.10000110.7D169 G170T167-D169 VanDerWaalsContact C-N 3.3Å; T167-D169 WeakPolarHBondContact CB-OD1 3.28Å; T167-D169 PolarHBondContact O-N 3.05Å; T167-D169 PolarHBondContact OG1-OD1 2.97Å; T167-G170 PolarHBondContact O-N 3.43Å; T167-G170 PolarHBondContact OG1-N 3.41Å
168E81Confident91.6Very high177 Ų17751 Ų5183%0.82726%0.26SS*.G310 helixtrans-64.5-35.5179.2-67.5-167.6157.500112.5
169D85.1Confident91.1Very high95 Ų9551.1 Ų51.151%0.50826%0.26SS..G310 helixtrans-88.90.2178.464-33.2000113.8K135 T167 V171K135-D169 PolarHBondContact NZ-O 3.42Å; T167-D169 VanDerWaalsContact C-N 3.3Å; T167-D169 WeakPolarHBondContact CB-OD1 3.28Å; T167-D169 PolarHBondContact O-N 3.05Å; T167-D169 PolarHBondContact OG1-OD1 2.97Å; D169-V171 PolarHBondContact O-N 3.4Å
170G90.6Very high90.7Very high0 Ų051.1 Ų51.10%026%0.26CS..G310 helixtrans-69.1-16.3-178.400000113.9V133 L134 T167V133-G170 CarbonylContact C-O 3.5Å; V133-G170 VanDerWaalsContact CA-O 3.23Å; V133-G170 WeakPolarHBondContact CA-O 3.43Å; V133-G170 WeakPolarHBondContact CG1-O 3.34Å; L134-G170 PolarHBondContact N-O 3.31Å; T167-G170 PolarHBondContact O-N 3.43Å; T167-G170 PolarHBondContact OG1-N 3.41Å
171V96.6Very high90.4Very high1 Ų143.4 Ų43.41%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-125.6108.9176.3-179.40000109.2L134 L152 V155 R156 F159 D169L134-V171 HydrophobicContact CB-CG1 4.34Å; L134-V171 HydrophobicContact CB-CG2 4.28Å; L134-V171 HydrophobicContact CD2-CG1 4.18Å; L134-V171 WeakPolarHBondContact O-CA 3.37Å; L152-V171 HydrophobicContact CB-CG1 4.03Å; L152-V171 HydrophobicContact CD2-CG1 3.74Å; L152-V171 HydrophobicContact CG-CG1 4.44Å; V155-V171 HydrophobicContact CB-CG1 4.08Å; V155-V171 HydrophobicContact CG1-CG1 3.92Å; V155-V171 HydrophobicContact CG1-CG2 3.94Å; R156-V171 HydrophobicContact CG-CB 3.52Å; R156-V171 HydrophobicContact CG-CG1 3.96Å; R156-V171 HydrophobicContact CG-CG2 3.79Å; R156-V171 PolarHBondContact NE-O 2.85Å; R156-V171 PolarHBondContact NH2-O 3.42Å; R156-V171 VanDerWaalsContact NH2-O 3.07Å; F159-V171 HydrophobicContact CD2-CG2 3.52Å; F159-V171 HydrophobicContact CE2-CG2 3.74Å; F159-V171 HydrophobicContact CG-CG2 4.36Å; D169-V171 PolarHBondContact O-N 3.4Å
172S94.2Very high90.3Very high31 Ų3136.7 Ų36.722%0.21720%0.2CC..EExtended strand (participates in β ladder)trans-152167.8-177.576.80000112.4L134 K135 A136L134-S172 PolarHBondContact O-N 3.19Å; L134-S172 VanDerWaalsContact O-N 3.1Å; K135-S172 WeakPolarHBondContact CA-O 3.35Å; K135-S172 WeakPolarHBondContact CD-OG 3.25Å; K135-S172 PolarHBondContact NZ-OG 3.36Å; A136-S172 PolarHBondContact N-O 2.76Å
173I91.4Very high90.1Very high56 Ų5635.8 Ų35.829%0.28719%0.194SC..EExtended strand (participates in β ladder)trans-81.9127.4164.3-51.7179000107.3A136 L140 R141 A148 L152A136-I173 HydrophobicContact CB-CG1 4.42Å; L140-I173 HydrophobicContact CB-CD1 4.41Å; R141-I173 HydrophobicContact CG-CG2 3.36Å; A148-I173 HydrophobicContact CB-CD1 4.15Å; L152-I173 HydrophobicContact CD1-CD1 4.26Å; L152-I173 HydrophobicContact CD1-CG1 3.69Å
174M88.5Confident89.9Confident12 Ų1234.1 Ų34.16%0.05918%0.182CC..PPolyproline II helixtrans-74.5145174.1-175168.8-82.500108.9K135 A136 R141 D178 E179 W395 A399K135-M174 HydrophobicContact CB-CB 4.18Å; K135-M174 HydrophobicContact CB-CE 3.71Å; K135-M174 HydrophobicContact CD-CE 4.18Å; K135-M174 HydrophobicContact CG-CE 3.64Å; A136-M174 PolarHBondContact O-N 2.66Å; R141-M174 PolarHBondContact NE-O 3.47Å; R141-M174 PolarHBondContact NH2-O 3.3Å; M174-D178 HydrophobicContact CG-CB 3.89Å; M174-E179 HydrophobicContact CG-CB 4.15Å; M174-E179 WeakPolarHBondContact SD-CA 3.23Å; M174-E179 HydrophobicContact SD-CB 3.78Å; M174-E179 HydrophobicContact SD-CG 4.37Å; M174-W395 HydrophobicContact CE-CD2 4.35Å; M174-W395 HydrophobicContact CE-CE3 3.6Å; M174-W395 HydrophobicContact CE-CH2 4.33Å; M174-W395 HydrophobicContact CE-CZ3 3.62Å; M174-W395 HydrophobicContact SD-CD2 3.99Å; M174-W395 HydrophobicContact SD-CE3 3.86Å; M174-W395 HydrophobicContact SD-CZ3 4.23Å; M174-A399 HydrophobicContact CE-CB 4.03Å
175D86.1Confident89.7Confident79 Ų7934.4 Ų34.442%0.42218%0.184SC..PPolyproline II helixtrans-77.5154.8168.3179.558.9000111R141 T177 D178 E179R141-D175 VanDerWaalsContact NH2-C 3.3Å; D175-T177 VanDerWaalsContact C-N 3.26Å; D175-T177 PolarHBondContact O-N 2.93Å; D175-T177 WeakPolarHBondContact OD2-CB 3.34Å; D175-T177 PolarHBondContact OD2-N 3Å; D175-T177 PolarHBondContact OD2-OG1 3.2Å; D175-D178 HydrophobicContact CB-CB 4.47Å; D175-D178 PolarHBondContact O-N 2.77Å; D175-E179 WeakPolarHBondContact O-CB 3.22Å; D175-E179 PolarHBondContact O-N 3.14Å
176G80.4Confident89.6Confident0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-62.8-32.5179.900000113.6E179 G180 Q213 C242 C244G176-E179 WeakPolarHBondContact O-CB 3.14Å; G176-G180 PolarHBondContact O-N 3.26Å; G176-G180 VanDerWaalsContact O-N 3.13Å; G176-Q213 WeakPolarHBondContact O-CG 3.35Å; G176-C242 PolarHBondContact O-SG 2.89Å; G176-C242 VanDerWaalsContact O-SG 3.39Å; G176-C244 VanDerWaalsContact CA-SG 3.55Å
177T84.1Confident89.7Confident10 Ų1029.8 Ų29.86%0.06116%0.156CC..Hα-helixtrans-70.4-40.7175.8-63.50000111.6D175 E179 G180 I181 R233 C242D175-T177 VanDerWaalsContact C-N 3.26Å; D175-T177 PolarHBondContact O-N 2.93Å; D175-T177 WeakPolarHBondContact OD2-CB 3.34Å; D175-T177 PolarHBondContact OD2-N 3Å; D175-T177 PolarHBondContact OD2-OG1 3.2Å; T177-E179 VanDerWaalsContact C-N 3.33Å; T177-E179 PolarHBondContact O-N 2.67Å; T177-G180 PolarHBondContact O-N 3.04Å; T177-I181 HydrophobicContact CG2-CD1 3.8Å; T177-I181 VanDerWaalsContact O-CG1 3.32Å; T177-I181 WeakPolarHBondContact O-CG1 3.02Å; T177-I181 PolarHBondContact O-N 2.84Å; T177-R233 HydrophobicContact CG2-CG 4.21Å; T177-C242 HydrophobicContact CG2-CB 4.02Å
178D87.2Confident89.9Confident75 Ų7527.5 Ų27.540%0.40114%0.143SC..Hα-helixtrans-67.1-35.6176.4-68.5-21.7000112M174 D175 S182M174-D178 HydrophobicContact CG-CB 3.89Å; D175-D178 HydrophobicContact CB-CB 4.47Å; D175-D178 PolarHBondContact O-N 2.77Å; D178-S182 WeakPolarHBondContact O-CB 3.4Å; D178-S182 PolarHBondContact O-N 3.27Å; D178-S182 PolarHBondContact O-OG 3.08Å
179E88.2Confident90.5Very high8 Ų819.7 Ų19.74%0.03711%0.106CC..Hα-helixtrans-59.9-49.1172.5-175.7174.3-16800110.8R141 M174 D175 G176 T177 S182 A183 Q213 W395R141-E179 IonicContact NH2-OE2 3.99Å; R141-E179 PolarHBondContact NH2-OE2 3.46Å; M174-E179 HydrophobicContact CG-CB 4.15Å; M174-E179 WeakPolarHBondContact SD-CA 3.23Å; M174-E179 HydrophobicContact SD-CB 3.78Å; M174-E179 HydrophobicContact SD-CG 4.37Å; D175-E179 WeakPolarHBondContact O-CB 3.22Å; D175-E179 PolarHBondContact O-N 3.14Å; G176-E179 WeakPolarHBondContact O-CB 3.14Å; T177-E179 VanDerWaalsContact C-N 3.33Å; T177-E179 PolarHBondContact O-N 2.67Å; E179-S182 PolarHBondContact O-N 3.39Å; E179-A183 WeakPolarHBondContact O-CB 3.42Å; E179-A183 PolarHBondContact O-N 3.17Å; E179-Q213 VanDerWaalsContact CD-NE2 3.34Å; E179-Q213 PolarHBondContact OE2-NE2 3.29Å; E179-W395 HydrophobicContact CG-CG 4.15Å; E179-W395 WeakPolarHBondContact O-CB 3.29Å
180G89.3Confident90.8Very high0 Ų015.5 Ų15.50%08%0.084CC..Hα-helixtrans-63.2-44.2177.500000113.2G176 T177 S182 A183 W184 M204 T215G176-G180 PolarHBondContact O-N 3.26Å; G176-G180 VanDerWaalsContact O-N 3.13Å; T177-G180 PolarHBondContact O-N 3.04Å; G180-S182 PolarHBondContact O-N 3.08Å; G180-A183 PolarHBondContact O-N 2.84Å; G180-W184 WeakPolarHBondContact O-CB 3.3Å; G180-W184 PolarHBondContact O-N 2.8Å; G180-M204 WeakPolarHBondContact O-CE 3.46Å; G180-T215 PolarHBondContact O-OG1 3.02Å
181I90.4Very high90.9Very high3 Ų317.6 Ų17.62%0.01510%0.096CC..Hα-helixtrans-63.8-43.9177.2-70.3164.1000111T177 A183 W184 I185 R233 F235T177-I181 HydrophobicContact CG2-CD1 3.8Å; T177-I181 VanDerWaalsContact O-CG1 3.32Å; T177-I181 WeakPolarHBondContact O-CG1 3.02Å; T177-I181 PolarHBondContact O-N 2.84Å; I181-A183 PolarHBondContact O-N 3.05Å; I181-W184 PolarHBondContact O-N 2.89Å; I181-I185 HydrophobicContact CG2-CD1 3.84Å; I181-I185 HydrophobicContact CG2-CG1 4.39Å; I181-I185 VanDerWaalsContact O-CG1 3.29Å; I181-I185 WeakPolarHBondContact O-CG1 3.37Å; I181-I185 PolarHBondContact O-N 3.23Å; I181-R233 HydrophobicContact CD1-CB 3.62Å; I181-R233 HydrophobicContact CD1-CG 3.39Å; I181-F235 HydrophobicContact CD1-CE2 4.1Å; I181-F235 HydrophobicContact CD1-CZ 4.26Å; I181-F235 HydrophobicContact CG2-CE2 3.85Å; I181-F235 HydrophobicContact CG2-CZ 3.91Å
182S92.8Very high90.5Very high2 Ų217.9 Ų17.91%0.01410%0.1CC..Hα-helixtrans-62.8-43.4178.6-640000111.2D178 E179 G180 W184 I185 T186 W395 G398 Q402D178-S182 WeakPolarHBondContact O-CB 3.4Å; D178-S182 PolarHBondContact O-N 3.27Å; D178-S182 PolarHBondContact O-OG 3.08Å; E179-S182 PolarHBondContact O-N 3.39Å; G180-S182 PolarHBondContact O-N 3.08Å; S182-W184 PolarHBondContact O-N 3.27Å; S182-I185 PolarHBondContact O-N 3.08Å; S182-T186 PolarHBondContact O-N 2.8Å; S182-T186 PolarHBondContact O-OG1 2.6Å; S182-W395 WeakPolarHBondContact CB-O 3.36Å; S182-G398 WeakPolarHBondContact O-CA 3.48Å; S182-Q402 PolarHBondContact OG-OE1 3.34Å
183A92.8Very high90.3Very high2 Ų216.7 Ų16.72%0.0179%0.092CC..Hα-helixtrans-62.5-41.4173.500000112.3E179 G180 I181 I185 T186 I187 M204 W395E179-A183 WeakPolarHBondContact O-CB 3.42Å; E179-A183 PolarHBondContact O-N 3.17Å; G180-A183 PolarHBondContact O-N 2.84Å; I181-A183 PolarHBondContact O-N 3.05Å; A183-I185 PolarHBondContact O-N 2.83Å; A183-T186 WeakPolarHBondContact O-CB 3.23Å; A183-T186 PolarHBondContact O-N 3.11Å; A183-I187 PolarHBondContact O-N 3.47Å; A183-I187 VanDerWaalsContact O-N 3.15Å; A183-M204 HydrophobicContact CB-CE 3.69Å; A183-M204 HydrophobicContact CB-CG 3.95Å; A183-M204 HydrophobicContact CB-SD 3.64Å; A183-W395 HydrophobicContact CB-CB 4Å
184W93.9Very high90.1Very high10 Ų1015 Ų154%0.0388%0.084CC..Hα-helixtrans-63.5-41175.4-179.182.9000112.4G180 I181 S182 I187 N188 L194 T201 V202 M204 T215G180-W184 WeakPolarHBondContact O-CB 3.3Å; G180-W184 PolarHBondContact O-N 2.8Å; I181-W184 PolarHBondContact O-N 2.89Å; S182-W184 PolarHBondContact O-N 3.27Å; W184-I187 PolarHBondContact O-N 2.72Å; W184-N188 PolarHBondContact NE1-ND2 2.9Å; W184-N188 WeakPolarHBondContact O-CB 3.48Å; W184-N188 PolarHBondContact O-N 2.51Å; W184-N188 PolarHBondContact O-ND2 2.72Å; W184-L194 HydrophobicContact CH2-CD2 4.08Å; W184-L194 HydrophobicContact CZ3-CD2 4.04Å; W184-T201 HydrophobicContact CH2-CG2 4.04Å; W184-T201 HydrophobicContact CZ2-CG2 3.68Å; W184-V202 VanDerWaalsContact CD1-O 3.31Å; W184-V202 PolarHBondContact NE1-O 3.49Å; W184-M204 HydrophobicContact CB-CB 4.44Å; W184-M204 HydrophobicContact CB-CE 4.36Å; W184-T215 HydrophobicContact CB-CG2 3.62Å; W184-T215 VanDerWaalsContact CD1-O 3.28Å; W184-T215 HydrophobicContact CG-CG2 3.86Å
185I92.9Very high89.9Confident16 Ų1619.5 Ų19.58%0.08211%0.105CC..Hα-helixtrans-61.7-46.6173.6-70.5169.3000109.9I181 S182 A183 I187 N188 F189 L194 F401 Q402I181-I185 HydrophobicContact CG2-CD1 3.84Å; I181-I185 HydrophobicContact CG2-CG1 4.39Å; I181-I185 VanDerWaalsContact O-CG1 3.29Å; I181-I185 WeakPolarHBondContact O-CG1 3.37Å; I181-I185 PolarHBondContact O-N 3.23Å; S182-I185 PolarHBondContact O-N 3.08Å; A183-I185 PolarHBondContact O-N 2.83Å; I185-I187 VanDerWaalsContact C-N 3.3Å; I185-I187 PolarHBondContact O-N 2.82Å; I185-N188 PolarHBondContact O-N 3.15Å; I185-F189 WeakPolarHBondContact O-CB 3.37Å; I185-F189 PolarHBondContact O-N 2.89Å; I185-L194 HydrophobicContact CB-CD1 4.47Å; I185-L194 HydrophobicContact CG2-CD1 3.85Å; I185-F401 HydrophobicContact CG2-CD1 4.12Å; I185-Q402 HydrophobicContact CD1-CG 3.72Å
186T94.6Very high89.4Confident0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-51.2-50.9176.9-650000111.1S182 A183 F189 L190 S394 L397 G398S182-T186 PolarHBondContact O-N 2.8Å; S182-T186 PolarHBondContact O-OG1 2.6Å; A183-T186 WeakPolarHBondContact O-CB 3.23Å; A183-T186 PolarHBondContact O-N 3.11Å; T186-F189 WeakPolarHBondContact O-CB 3.11Å; T186-F189 PolarHBondContact O-N 3.36Å; T186-L190 HydrophobicContact CG2-CD1 3.68Å; T186-L190 HydrophobicContact CG2-CG 4.42Å; T186-L190 WeakPolarHBondContact O-CB 3.26Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.23Å; T186-L190 PolarHBondContact O-N 3.5Å; T186-S394 WeakPolarHBondContact CB-O 3.36Å; T186-S394 WeakPolarHBondContact CG2-O 3.15Å; T186-S394 PolarHBondContact OG1-O 3.14Å; T186-L397 HydrophobicContact CG2-CB 3.88Å; T186-L397 HydrophobicContact CG2-CD2 4.06Å; T186-G398 PolarHBondContact OG1-N 3.36Å
187I94.8Very high89.1Confident1 Ų121.9 Ų21.91%0.00513%0.129CC..Hα-helixtrans-69.8-41.4-175.9-60.9-47.7000112.2A183 W184 I185 F189 L190 T191 V202 Y313 F315 V388 A393A183-I187 PolarHBondContact O-N 3.47Å; A183-I187 VanDerWaalsContact O-N 3.15Å; W184-I187 PolarHBondContact O-N 2.72Å; I185-I187 VanDerWaalsContact C-N 3.3Å; I185-I187 PolarHBondContact O-N 2.82Å; I187-F189 VanDerWaalsContact C-N 3.29Å; I187-F189 PolarHBondContact O-N 3.24Å; I187-L190 PolarHBondContact O-N 3.15Å; I187-T191 HydrophobicContact CG2-CG2 4.06Å; I187-T191 VanDerWaalsContact O-CB 3.31Å; I187-T191 WeakPolarHBondContact O-CB 3.14Å; I187-T191 VanDerWaalsContact O-CG2 3.3Å; I187-T191 WeakPolarHBondContact O-CG2 3.49Å; I187-T191 PolarHBondContact O-N 3.49Å; I187-T191 PolarHBondContact O-OG1 3.1Å; I187-V202 HydrophobicContact CG2-CG2 3.4Å; I187-V202 VanDerWaalsContact CG2-CG2 3.4Å; I187-Y313 HydrophobicContact CG2-CD2 3.77Å; I187-Y313 HydrophobicContact CG2-CE2 4.31Å; I187-Y313 HydrophobicContact CG2-CG 4.09Å; I187-F315 HydrophobicContact CD1-CE1 3.92Å; I187-F315 HydrophobicContact CD1-CE2 3.56Å; I187-F315 HydrophobicContact CD1-CZ 3.08Å; I187-F315 HydrophobicContact CG1-CE2 3.4Å; I187-F315 HydrophobicContact CG1-CZ 3.36Å; I187-V388 HydrophobicContact CD1-CG2 4.33Å; I187-A393 HydrophobicContact CD1-CB 4.46Å
188N93.7Very high88.8Confident0 Ų029 Ų290%017%0.166CC..Hα-helixtrans-73.5-24.5178.9-72.5-79.7000112W184 I185 G192 G193 L194 T201 V202W184-N188 PolarHBondContact NE1-ND2 2.9Å; W184-N188 WeakPolarHBondContact O-CB 3.48Å; W184-N188 PolarHBondContact O-N 2.51Å; W184-N188 PolarHBondContact O-ND2 2.72Å; I185-N188 PolarHBondContact O-N 3.15Å; N188-G192 CarbonylContact O-C 3.59Å; N188-G192 PolarHBondContact O-N 2.85Å; N188-G192 VanDerWaalsContact O-N 3.12Å; N188-G193 PolarHBondContact O-N 3Å; N188-L194 HydrophobicContact CB-CD1 4.32Å; N188-L194 HydrophobicContact CB-CD2 3.75Å; N188-L194 HydrophobicContact CB-CG 3.65Å; N188-L194 PolarHBondContact O-N 3.36Å; N188-L194 VanDerWaalsContact O-N 3.11Å; N188-T201 WeakPolarHBondContact OD1-CA 3.3Å; N188-T201 WeakPolarHBondContact OD1-CB 3.36Å; N188-T201 WeakPolarHBondContact OD1-CG2 3.46Å; N188-V202 PolarHBondContact ND2-O 3.13Å; N188-V202 PolarHBondContact OD1-N 3.33Å
189F92.1Very high88.6Confident13 Ų1332.5 Ų32.56%0.05717%0.174CC..Hα-helixtrans-65.1-52.5167.9-176.2-76.3000110F75 F82 P83 L85 I185 T186 I187 T191 G192 L194 L397 F401F75-F189 HydrophobicContact CD1-CZ 4.37Å; F75-F189 HydrophobicContact CE1-CE2 4.48Å; F75-F189 HydrophobicContact CE1-CZ 4.17Å; F82-F189 HydrophobicContact CD1-CE2 4.26Å; F82-F189 AromaticContact CE1-CD2 3.31Å; F82-F189 HydrophobicContact CE1-CD2 3.31Å; F82-F189 AromaticContact CE1-CE2 3.39Å; F82-F189 HydrophobicContact CE1-CE2 3.39Å; F82-F189 HydrophobicContact CE1-CG 4.11Å; F82-F189 HydrophobicContact CE1-CZ 4.26Å; F82-F189 AromaticContact CZ-CD2 3.57Å; F82-F189 HydrophobicContact CZ-CD2 3.57Å; F82-F189 AromaticContact CZ-CE2 3.94Å; F82-F189 HydrophobicContact CZ-CE2 3.94Å; F82-F189 HydrophobicContact CZ-CG 4.49Å; P83-F189 WeakPolarHBondContact O-CE2 3.07Å; P83-F189 VanDerWaalsContact O-CZ 3.22Å; P83-F189 WeakPolarHBondContact O-CZ 3.44Å; L85-F189 HydrophobicContact CB-CE1 3.64Å; L85-F189 HydrophobicContact CB-CZ 4.08Å; I185-F189 WeakPolarHBondContact O-CB 3.37Å; I185-F189 PolarHBondContact O-N 2.89Å; T186-F189 WeakPolarHBondContact O-CB 3.11Å; T186-F189 PolarHBondContact O-N 3.36Å; I187-F189 VanDerWaalsContact C-N 3.29Å; I187-F189 PolarHBondContact O-N 3.24Å; F189-T191 PolarHBondContact O-N 2.7Å; F189-G192 PolarHBondContact O-N 3.29Å; F189-L194 HydrophobicContact CB-CD1 4.15Å; F189-L397 HydrophobicContact CD1-CD2 3.73Å; F189-L397 HydrophobicContact CE1-CD2 4.25Å; F189-L397 HydrophobicContact CG-CD2 4.24Å; F189-F401 HydrophobicContact CD2-CD2 4.22Å; F189-F401 HydrophobicContact CD2-CE2 4.4Å; F189-F401 HydrophobicContact CD2-CG 4.32Å; F189-F401 AromaticContact CE2-CD2 3.84Å; F189-F401 HydrophobicContact CE2-CD2 3.84Å; F189-F401 AromaticContact CE2-CE2 3.96Å; F189-F401 HydrophobicContact CE2-CE2 3.96Å; F189-F401 HydrophobicContact CE2-CG 4.38Å
190L92.3Very high88.6Confident7 Ų736.6 Ų36.64%0.03720%0.201CC..Hα-helixtrans-72-31.5-174.9-65.9172.3000113.3T186 I187 V388 R389 V391 L397T186-L190 HydrophobicContact CG2-CD1 3.68Å; T186-L190 HydrophobicContact CG2-CG 4.42Å; T186-L190 WeakPolarHBondContact O-CB 3.26Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.23Å; T186-L190 PolarHBondContact O-N 3.5Å; I187-L190 PolarHBondContact O-N 3.15Å; L190-V388 HydrophobicContact CB-CB 4.24Å; L190-V388 HydrophobicContact CB-CG1 3.82Å; L190-V388 HydrophobicContact CD1-CB 3.94Å; L190-V388 HydrophobicContact CD1-CG1 4.45Å; L190-R389 VanDerWaalsContact O-CD 3.29Å; L190-R389 WeakPolarHBondContact O-CD 3.4Å; L190-R389 PolarHBondContact O-NE 3.4Å; L190-R389 VanDerWaalsContact O-NE 3.1Å; L190-R389 PolarHBondContact O-NH1 3.03Å; L190-R389 VanDerWaalsContact O-NH1 3.14Å; L190-V391 HydrophobicContact CD1-CB 3.92Å; L190-V391 HydrophobicContact CD1-CG1 4.05Å; L190-V391 HydrophobicContact CD2-CB 3.83Å; L190-V391 HydrophobicContact CD2-CG1 4.15Å; L190-V391 HydrophobicContact CD2-CG2 3.73Å; L190-L397 HydrophobicContact CD1-CD2 4.11Å; L190-L397 HydrophobicContact CD2-CD2 3.74Å; L190-L397 HydrophobicContact CG-CD2 3.8Å
191T92.1Very high88.8Confident43 Ų4338.2 Ų38.226%0.26421%0.211SC..Hα-helixtrans-88.1-8.9177.159.60000113.2I187 F189 Y313 V388I187-T191 HydrophobicContact CG2-CG2 4.06Å; I187-T191 VanDerWaalsContact O-CB 3.31Å; I187-T191 WeakPolarHBondContact O-CB 3.14Å; I187-T191 VanDerWaalsContact O-CG2 3.3Å; I187-T191 WeakPolarHBondContact O-CG2 3.49Å; I187-T191 PolarHBondContact O-N 3.49Å; I187-T191 PolarHBondContact O-OG1 3.1Å; F189-T191 PolarHBondContact O-N 2.7Å; T191-Y313 HydrophobicContact CG2-CE2 4Å; T191-V388 HydrophobicContact CG2-CG1 4.48Å
192G89.3Confident89Confident8 Ų839 Ų398%0.08222%0.216CC..THydrogen-bonded Turntrans83.99179.100000114.7N188 F189 L194 Q195N188-G192 CarbonylContact O-C 3.59Å; N188-G192 PolarHBondContact O-N 2.85Å; N188-G192 VanDerWaalsContact O-N 3.12Å; F189-G192 PolarHBondContact O-N 3.29Å; G192-L194 PolarHBondContact O-N 2.8Å; G192-Q195 WeakPolarHBondContact O-CB 3.33Å; G192-Q195 PolarHBondContact O-N 2.73Å
193G88.8Confident89Confident6 Ų638.9 Ų38.96%0.06222%0.215CC..THydrogen-bonded Turntrans-60.5-24.3174.200000114N188N188-G193 PolarHBondContact O-N 3Å
194L87.6Confident89.1Confident20 Ų2038.8 Ų38.811%0.10521%0.214CC..THydrogen-bonded Turntrans-89.5-3.2178.3-58.4-177.8000114.6F82 W184 I185 N188 F189 G192 G196F82-L194 HydrophobicContact CE1-CB 4.25Å; F82-L194 HydrophobicContact CE2-CB 3.73Å; F82-L194 HydrophobicContact CZ-CB 3.49Å; F82-L194 VanDerWaalsContact CZ-CB 3.49Å; F82-L194 HydrophobicContact CZ-CD1 4Å; F82-L194 HydrophobicContact CZ-CG 4.39Å; W184-L194 HydrophobicContact CH2-CD2 4.08Å; W184-L194 HydrophobicContact CZ3-CD2 4.04Å; I185-L194 HydrophobicContact CB-CD1 4.47Å; I185-L194 HydrophobicContact CG2-CD1 3.85Å; N188-L194 HydrophobicContact CB-CD1 4.32Å; N188-L194 HydrophobicContact CB-CD2 3.75Å; N188-L194 HydrophobicContact CB-CG 3.65Å; N188-L194 PolarHBondContact O-N 3.36Å; N188-L194 VanDerWaalsContact O-N 3.11Å; F189-L194 HydrophobicContact CB-CD1 4.15Å; G192-L194 PolarHBondContact O-N 2.8Å; L194-G196 PolarHBondContact O-N 3.22Å
195Q84Confident89Confident106 Ų10638.3 Ų38.350%0.49521%0.213SC..SBendtrans-79.23.2-173.9-63.91802.100114.3F82 G192F82-Q195 HydrophobicContact CD1-CG 4.16Å; F82-Q195 HydrophobicContact CG-CG 4.48Å; G192-Q195 WeakPolarHBondContact O-CB 3.33Å; G192-Q195 PolarHBondContact O-N 2.73Å
196G75.9Confident88.9Confident24 Ų2437.9 Ų37.925%0.24721%0.211CC..  trans166.6162.5175.200000113.3L194 D198 R199L194-G196 PolarHBondContact O-N 3.22Å; G196-D198 VanDerWaalsContact C-N 3.27Å; G196-D198 PolarHBondContact O-N 3.11Å; G196-R199 WeakPolarHBondContact O-CB 3.29Å; G196-R199 PolarHBondContact O-N 2.9Å
197P73.5Confident88.5Confident106 Ų10638.4 Ų38.469%0.68821%0.213SC*.THydrogen-bonded Turntrans-67-25-173.927.4-35.3000114R199P197-R199 VanDerWaalsContact C-N 3.34Å
198D78.9Confident87.7Confident158 Ų15839.6 Ų39.685%0.84523%0.225SC*.THydrogen-bonded Turntrans-87.6-3.8-179.8-58.3-43.1000113.1G196G196-D198 VanDerWaalsContact C-N 3.27Å; G196-D198 PolarHBondContact O-N 3.11Å
199R83.2Confident86.7Confident150 Ų15042.6 Ų42.657%0.56626%0.256SS*.SBendtrans-81.5126.1177.6-65.3-67.1-172168.41.1109.1G196 P197 T201G196-R199 WeakPolarHBondContact O-CB 3.29Å; G196-R199 PolarHBondContact O-N 2.9Å; P197-R199 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 3.14Å
200P88.3Confident85.8Confident94 Ų9443.3 Ų43.361%0.6127%0.268SS*.PPolyproline II helixtrans-66.6132.3174.828-33000109.3
201T92.6Very high85Confident33 Ų3343.6 Ų43.620%0.20227%0.27CS..PPolyproline II helixtrans-87.2152.9169.5530000110.4W184 N188 R199W184-T201 HydrophobicContact CH2-CG2 4.04Å; W184-T201 HydrophobicContact CZ2-CG2 3.68Å; N188-T201 WeakPolarHBondContact OD1-CA 3.3Å; N188-T201 WeakPolarHBondContact OD1-CB 3.36Å; N188-T201 WeakPolarHBondContact OD1-CG2 3.46Å; R199-T201 PolarHBondContact O-N 3.14Å
202V94.2Very high84.6Confident19 Ų1942 Ų4212%0.11526%0.261CS..  trans-104.5156.2172.3-620000109.7W184 I187 N188 D311 Y313W184-V202 VanDerWaalsContact CD1-O 3.31Å; W184-V202 PolarHBondContact NE1-O 3.49Å; I187-V202 HydrophobicContact CG2-CG2 3.4Å; I187-V202 VanDerWaalsContact CG2-CG2 3.4Å; N188-V202 PolarHBondContact ND2-O 3.13Å; N188-V202 PolarHBondContact OD1-N 3.33Å; V202-D311 CarbonylContact C-O 3.48Å; V202-D311 WeakPolarHBondContact CA-O 3.41Å; V202-D311 WeakPolarHBondContact CB-O 3.3Å; V202-D311 HydrophobicContact CG1-CB 4.1Å; V202-Y313 HydrophobicContact CB-CD2 4.41Å; V202-Y313 HydrophobicContact CG2-CD2 3.94Å; V202-Y313 HydrophobicContact CG2-CE2 4.21Å
203G94.2Very high84.5Confident0 Ų041.7 Ų41.70%026%0.257CS..EExtended strand (participates in β ladder)trans-81.4163.4169.100000112.3T215 D311 F312 Y313G203-T215 CarbonylContact C-O 3.57Å; G203-T215 VanDerWaalsContact CA-O 3.3Å; G203-T215 WeakPolarHBondContact CA-O 3.48Å; G203-D311 PolarHBondContact N-O 3.41Å; G203-F312 WeakPolarHBondContact O-CA 3.37Å; G203-Y313 PolarHBondContact O-N 3.31Å
204M93.9Very high84.6Confident0 Ų041.8 Ų41.80%026%0.256CS..EExtended strand (participates in β ladder)trans-130.9137.5179.1172.3-79.4-46.800109.8G180 A183 W184 D206 Q213 I214 T215 Y313 F315G180-M204 WeakPolarHBondContact O-CE 3.46Å; A183-M204 HydrophobicContact CB-CE 3.69Å; A183-M204 HydrophobicContact CB-CG 3.95Å; A183-M204 HydrophobicContact CB-SD 3.64Å; W184-M204 HydrophobicContact CB-CB 4.44Å; W184-M204 HydrophobicContact CB-CE 4.36Å; M204-D206 HydrophobicContact SD-CB 3.72Å; M204-D206 PolarHBondContact SD-N 3.31Å; M204-Q213 HydrophobicContact CE-CB 4.41Å; M204-I214 WeakPolarHBondContact O-CA 3.39Å; M204-T215 VanDerWaalsContact CE-CB 3.44Å; M204-T215 VanDerWaalsContact CE-OG1 3.31Å; M204-T215 WeakPolarHBondContact CE-OG1 3.41Å; M204-T215 PolarHBondContact N-O 3.31Å; M204-T215 PolarHBondContact O-N 2.83Å; M204-Y313 CarbonylContact C-O 3.53Å; M204-Y313 WeakPolarHBondContact CA-O 3.49Å; M204-F315 HydrophobicContact CB-CE2 4.49Å; M204-F315 HydrophobicContact CG-CD2 3.93Å; M204-F315 HydrophobicContact CG-CE2 3.63Å
205L92.9Very high84.7Confident1 Ų140.8 Ų40.81%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-120.5123.1168.9-69168000108.7Q213 I214 F312 Y313 A314 F315 Y318 L371 F376 L382L205-Q213 CarbonylContact C-O 3.53Å; L205-Q213 WeakPolarHBondContact CA-O 3.31Å; L205-I214 HydrophobicContact CD2-CB 3.69Å; L205-I214 HydrophobicContact CD2-CD1 3.96Å; L205-I214 HydrophobicContact CD2-CG1 3.66Å; L205-F312 HydrophobicContact CD1-CB 4.48Å; L205-F312 HydrophobicContact CD1-CD1 4.29Å; L205-F312 HydrophobicContact CD2-CD1 4.49Å; L205-F312 HydrophobicContact CG-CD1 3.83Å; L205-F312 HydrophobicContact CG-CE1 4.37Å; L205-Y313 PolarHBondContact N-O 3.13Å; L205-A314 HydrophobicContact CB-CB 3.89Å; L205-A314 HydrophobicContact CD1-CB 4.29Å; L205-A314 CarbonylContact O-C 3.55Å; L205-A314 VanDerWaalsContact O-CA 3.26Å; L205-A314 WeakPolarHBondContact O-CA 3.41Å; L205-F315 PolarHBondContact O-N 3.47Å; L205-Y318 HydrophobicContact CB-CD2 4.29Å; L205-Y318 HydrophobicContact CB-CE2 3.87Å; L205-L371 HydrophobicContact CD1-CD2 3.93Å; L205-F376 HydrophobicContact CD1-CE2 4.1Å; L205-F376 HydrophobicContact CD1-CZ 3.97Å; L205-F376 HydrophobicContact CD2-CE2 4.06Å; L205-F376 HydrophobicContact CD2-CZ 4.15Å; L205-F376 HydrophobicContact CG-CZ 4.42Å; L205-L382 HydrophobicContact CD1-CD1 4.04Å; L205-L382 HydrophobicContact CD1-CD2 3.93Å
206D89.3Confident85.1Confident7 Ų736 Ų364%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-121.2131.5171.9-165.93.3000109M204 T212 Q213 S316M204-D206 HydrophobicContact SD-CB 3.72Å; M204-D206 PolarHBondContact SD-N 3.31Å; D206-T212 CarbonylContact O-C 3.58Å; D206-T212 WeakPolarHBondContact O-CA 3.4Å; D206-T212 WeakPolarHBondContact O-CB 3.45Å; D206-T212 PolarHBondContact O-OG1 2.95Å; D206-Q213 PolarHBondContact N-O 3.02Å; D206-Q213 PolarHBondContact O-N 3.35Å; D206-S316 WeakPolarHBondContact OD1-CB 3.5Å; D206-S316 PolarHBondContact OD1-OG 2.88Å
207L87Confident85.7Confident11 Ų1135.3 Ų35.36%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-122.291.6173.118059.1000107.1S316 F317 Y318 Y366 I367 L370L207-S316 WeakPolarHBondContact O-CB 3.23Å; L207-F317 HydrophobicContact CB-CB 4.01Å; L207-F317 HydrophobicContact CD2-CB 3.94Å; L207-F317 HydrophobicContact CD2-CD1 3.76Å; L207-F317 HydrophobicContact CD2-CG 4.32Å; L207-F317 HydrophobicContact CG-CB 3.74Å; L207-F317 HydrophobicContact CG-CD1 4.28Å; L207-F317 HydrophobicContact CG-CG 4.42Å; L207-F317 WeakPolarHBondContact O-CB 3.32Å; L207-F317 PolarHBondContact O-N 3.23Å; L207-Y318 HydrophobicContact CB-CD2 3.59Å; L207-Y318 HydrophobicContact CB-CE2 3.39Å; L207-Y318 HydrophobicContact CB-CG 4.38Å; L207-Y318 HydrophobicContact CD2-CE1 4.37Å; L207-Y318 HydrophobicContact CD2-CE2 4.38Å; L207-Y318 HydrophobicContact CG-CE2 4.48Å; L207-Y366 HydrophobicContact CD1-CE1 4.08Å; L207-Y366 HydrophobicContact CD2-CD1 4.5Å; L207-Y366 HydrophobicContact CD2-CE1 4.39Å; L207-I367 HydrophobicContact CD2-CD1 4.27Å; L207-I367 HydrophobicContact CD2-CG1 3.81Å; L207-L370 HydrophobicContact CD1-CD2 4.43Å
208G78.3Confident86.2Confident25 Ų2530.6 Ų30.626%0.25819%0.189SC..  trans-82.1-177.5176.600000112.4G210 S211G208-G210 VanDerWaalsContact C-N 3.32Å; G208-G210 PolarHBondContact O-N 3.46Å; G208-S211 CarbonylContact C-O 3.59Å; G208-S211 WeakPolarHBondContact CA-O 3.21Å; G208-S211 PolarHBondContact N-O 2.66Å
209G72.4Confident86.4Confident63 Ų6331.1 Ų31.165%0.64918%0.179SC*.SBendtrans-73-17.6-175.200000115.6
210G72.4Confident86.2Confident29 Ų2928.9 Ų28.930%0.29918%0.175SC..SBendtrans-137.1-1.8-178.100000114.7G208G208-G210 VanDerWaalsContact C-N 3.32Å; G208-G210 PolarHBondContact O-N 3.46Å
211S75.9Confident85.7Confident12 Ų1231 Ų318%0.08418%0.177CC..  trans-155.7161.4-178.143.90000109.7G208 Q213G208-S211 CarbonylContact C-O 3.59Å; G208-S211 WeakPolarHBondContact CA-O 3.21Å; G208-S211 PolarHBondContact N-O 2.66Å; S211-Q213 PolarHBondContact OG-NE2 3.4Å
212T84.8Confident85Confident10 Ų1036.2 Ų36.26%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-129.2147.2168.6-170.40000107.8D206 L370D206-T212 CarbonylContact O-C 3.58Å; D206-T212 WeakPolarHBondContact O-CA 3.4Å; D206-T212 WeakPolarHBondContact O-CB 3.45Å; D206-T212 PolarHBondContact O-OG1 2.95Å; T212-L370 HydrophobicContact CG2-CD1 4.41Å; T212-L370 HydrophobicContact CG2-CD2 4.13Å
213Q87.3Confident84.1Confident1 Ų135.7 Ų35.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-128.7136.4178.1-67.781.84.500109.1G176 E179 M204 L205 D206 S211 C242G176-Q213 WeakPolarHBondContact O-CG 3.35Å; E179-Q213 VanDerWaalsContact CD-NE2 3.34Å; E179-Q213 PolarHBondContact OE2-NE2 3.29Å; M204-Q213 HydrophobicContact CE-CB 4.41Å; L205-Q213 CarbonylContact C-O 3.53Å; L205-Q213 WeakPolarHBondContact CA-O 3.31Å; D206-Q213 PolarHBondContact N-O 3.02Å; D206-Q213 PolarHBondContact O-N 3.35Å; S211-Q213 PolarHBondContact OG-NE2 3.4Å; Q213-C242 VanDerWaalsContact CG-SG 3.58Å
214I90Very high83.1Confident8 Ų838.7 Ų38.74%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-119.4126.9166.5177.7174.2000106.3M204 L205 F216 C242 F243 F312 L374 F376M204-I214 WeakPolarHBondContact O-CA 3.39Å; L205-I214 HydrophobicContact CD2-CB 3.69Å; L205-I214 HydrophobicContact CD2-CD1 3.96Å; L205-I214 HydrophobicContact CD2-CG1 3.66Å; I214-F216 HydrophobicContact CG1-CD1 4.41Å; I214-C242 WeakPolarHBondContact O-CA 3.35Å; I214-F243 HydrophobicContact CG2-CB 4.47Å; I214-F243 HydrophobicContact CG2-CD2 3.64Å; I214-F243 HydrophobicContact CG2-CE2 4.46Å; I214-F312 HydrophobicContact CD1-CE1 4.26Å; I214-F312 HydrophobicContact CD1-CZ 4.3Å; I214-F312 HydrophobicContact CG1-CE1 3.92Å; I214-F312 HydrophobicContact CG1-CZ 4.36Å; I214-L374 HydrophobicContact CD1-CD1 4.45Å; I214-L374 HydrophobicContact CD1-CD2 4.44Å; I214-L374 HydrophobicContact CG2-CD2 4.16Å; I214-F376 HydrophobicContact CD1-CE2 3.88Å; I214-F376 HydrophobicContact CD1-CZ 3.84Å
215T90.7Very high82.1Confident0 Ų045.2 Ų45.20%024%0.239CC..EExtended strand (participates in β ladder)trans-142.8130.6-179.9-50.20000110.7G180 W184 G203 M204 V241G180-T215 PolarHBondContact O-OG1 3.02Å; W184-T215 HydrophobicContact CB-CG2 3.62Å; W184-T215 VanDerWaalsContact CD1-O 3.28Å; W184-T215 HydrophobicContact CG-CG2 3.86Å; G203-T215 CarbonylContact C-O 3.57Å; G203-T215 VanDerWaalsContact CA-O 3.3Å; G203-T215 WeakPolarHBondContact CA-O 3.48Å; M204-T215 VanDerWaalsContact CE-CB 3.44Å; M204-T215 VanDerWaalsContact CE-OG1 3.31Å; M204-T215 WeakPolarHBondContact CE-OG1 3.41Å; M204-T215 PolarHBondContact N-O 3.31Å; M204-T215 PolarHBondContact O-N 2.83Å; T215-V241 WeakPolarHBondContact CA-O 3.3Å
216F90.9Very high81Confident4 Ų449.8 Ų49.82%0.01826%0.262CS..  trans-153.3159.9174.765.6-81.2000109.9I214 P218 T223 A304 E306 A307 V310 F312I214-F216 HydrophobicContact CG1-CD1 4.41Å; F216-P218 HydrophobicContact CE2-CB 4.29Å; F216-P218 WeakPolarHBondContact O-CD 3.14Å; F216-T223 HydrophobicContact CE2-CG2 4.29Å; F216-T223 HydrophobicContact CZ-CG2 4.08Å; F216-A304 HydrophobicContact CE1-CB 4.04Å; F216-A304 HydrophobicContact CZ-CB 3.79Å; F216-E306 HydrophobicContact CE2-CB 4.32Å; F216-E306 HydrophobicContact CE2-CG 4.19Å; F216-A307 HydrophobicContact CE1-CB 4.31Å; F216-V310 HydrophobicContact CB-CG1 4.15Å; F216-V310 HydrophobicContact CD2-CG2 4.08Å; F216-F312 HydrophobicContact CB-CE1 4.33Å; F216-F312 HydrophobicContact CB-CZ 4.03Å; F216-F312 HydrophobicContact CD1-CE1 4.39Å; F216-F312 AromaticContact CD1-CZ 3.85Å; F216-F312 HydrophobicContact CD1-CZ 3.85Å; F216-F312 HydrophobicContact CG-CZ 4.07Å
217S88.9Confident80.1Confident10 Ų1050.2 Ų50.27%0.0727%0.266CS..  trans-82.8113.5172.4176.10000109.4A239S217-A239 WeakPolarHBondContact CA-O 3.08Å
218P85.2Confident79.2Confident8 Ų852.4 Ų52.45%0.05228%0.281CS..  trans-69.8146.5174.530.4-31.4000110.3F216 T223 I224 A239F216-P218 HydrophobicContact CE2-CB 4.29Å; F216-P218 WeakPolarHBondContact O-CD 3.14Å; P218-T223 HydrophobicContact CB-CG2 3.86Å; P218-I224 HydrophobicContact CB-CG1 4.16Å; P218-I224 HydrophobicContact CG-CD1 4.27Å; P218-I224 HydrophobicContact CG-CG1 3.71Å; P218-A239 WeakPolarHBondContact CD-O 3.18Å
219R81.2Confident78.4Confident168 Ų16857 Ų5763%0.63430%0.303SS*.  trans-106.5-27.7174.3-52.9179.8178.4-171.11.5110.9E306R219-E306 WeakPolarHBondContact CA-OE1 3.39Å; R219-E306 WeakPolarHBondContact CB-OE1 3.5Å; R219-E306 WeakPolarHBondContact CG-OE1 3.49Å; R219-E306 PolarHBondContact N-OE1 3.49Å; R219-E306 PolarHBondContact N-OE2 3.5Å
220H80.3Confident78Confident103 Ų10359.9 Ų59.948%0.47730%0.304SS..SBendtrans-95.4130.8180-56.2111.6000111.6K222 T223 I224 E306H220-K222 PolarHBondContact O-N 2.79Å; H220-T223 WeakPolarHBondContact O-CB 3.44Å; H220-T223 PolarHBondContact O-N 2.9Å; H220-I224 PolarHBondContact O-N 3.33Å; H220-E306 IonicContact CG-OE2 2.93Å; H220-E306 PolarHBondContact N-OE1 3.17Å; H220-E306 PolarHBondContact N-OE2 3.23Å; H220-E306 VanDerWaalsContact ND1-CD 3.31Å; H220-E306 IonicContact ND1-OE1 2.69Å; H220-E306 PolarHBondContact ND1-OE1 2.9Å; H220-E306 IonicContact ND1-OE2 3.92Å; H220-E306 PolarHBondContact ND1-OE2 2.9Å
221E76.4Confident77.4Confident139 Ų13959.7 Ų59.765%0.6530%0.296SS*.Hα-helixtrans-57.8-34176.2-166-17917200112.2T223 I224 Q225E221-T223 VanDerWaalsContact C-N 3.28Å; E221-T223 PolarHBondContact O-N 3.29Å; E221-I224 WeakPolarHBondContact O-CB 3.3Å; E221-I224 PolarHBondContact O-N 3.24Å; E221-I224 VanDerWaalsContact O-N 3.09Å; E221-Q225 HydrophobicContact CG-CG 4.43Å; E221-Q225 WeakPolarHBondContact O-CG 3.33Å; E221-Q225 PolarHBondContact O-N 2.89Å; E221-Q225 PolarHBondContact OE1-NE2 3.01Å; E221-Q225 VanDerWaalsContact OE1-NE2 3.16Å
222K78.4Confident76.4Confident143 Ų14360.8 Ų60.862%0.62230%0.301SS*.Hα-helixtrans-57.6-39.6175.3-171.3-177.6177.5-177.80112.2H220 I224 Q225 M226H220-K222 PolarHBondContact O-N 2.79Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 3.12Å; K222-Q225 PolarHBondContact O-N 3.08Å; K222-M226 HydrophobicContact CD-CE 4.37Å; K222-M226 HydrophobicContact CD-SD 4.33Å; K222-M226 HydrophobicContact CG-CE 3.92Å; K222-M226 HydrophobicContact CG-CG 4.34Å; K222-M226 HydrophobicContact CG-SD 3.92Å; K222-M226 WeakPolarHBondContact O-CB 3.42Å; K222-M226 VanDerWaalsContact O-CG 3.25Å; K222-M226 WeakPolarHBondContact O-CG 3.36Å; K222-M226 PolarHBondContact O-N 2.8Å
223T75.6Confident75.2Confident8 Ų864.2 Ų64.25%0.04931%0.313CS..Hα-helixtrans-64.4-40177.6-520000110.7F216 P218 H220 E221 S227 E306F216-T223 HydrophobicContact CE2-CG2 4.29Å; F216-T223 HydrophobicContact CZ-CG2 4.08Å; P218-T223 HydrophobicContact CB-CG2 3.86Å; H220-T223 WeakPolarHBondContact O-CB 3.44Å; H220-T223 PolarHBondContact O-N 2.9Å; E221-T223 VanDerWaalsContact C-N 3.28Å; E221-T223 PolarHBondContact O-N 3.29Å; T223-S227 PolarHBondContact O-N 2.83Å; T223-S227 PolarHBondContact O-OG 3.27Å; T223-E306 VanDerWaalsContact CB-OE2 3.31Å; T223-E306 WeakPolarHBondContact CB-OE2 3.4Å; T223-E306 HydrophobicContact CG2-CB 4.47Å; T223-E306 PolarHBondContact OG1-OE2 3.5Å
224I73.8Confident73.4Confident62 Ų6269.1 Ų69.132%0.31835%0.347SS..Hα-helixtrans-64.4-47.5175.7-56.8174.9000110.1P218 H220 E221 K222 M226 S227 I232P218-I224 HydrophobicContact CB-CG1 4.16Å; P218-I224 HydrophobicContact CG-CD1 4.27Å; P218-I224 HydrophobicContact CG-CG1 3.71Å; H220-I224 PolarHBondContact O-N 3.33Å; E221-I224 WeakPolarHBondContact O-CB 3.3Å; E221-I224 PolarHBondContact O-N 3.24Å; E221-I224 VanDerWaalsContact O-N 3.09Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 3.12Å; I224-M226 VanDerWaalsContact C-N 3.34Å; I224-M226 PolarHBondContact O-N 3.11Å; I224-S227 PolarHBondContact O-N 3.38Å; I224-I232 HydrophobicContact CG2-CD1 4.01Å; I224-I232 VanDerWaalsContact O-CD1 3.25Å; I224-I232 WeakPolarHBondContact O-CD1 3.49Å
225Q72.7Confident71.5Confident137 Ų13773.3 Ų73.364%0.6437%0.365SS*.Hα-helixtrans-66.9-30.6-178.1-68.9175.33.600114E221 K222E221-Q225 HydrophobicContact CG-CG 4.43Å; E221-Q225 WeakPolarHBondContact O-CG 3.33Å; E221-Q225 PolarHBondContact O-N 2.89Å; E221-Q225 PolarHBondContact OE1-NE2 3.01Å; E221-Q225 VanDerWaalsContact OE1-NE2 3.16Å; K222-Q225 PolarHBondContact O-N 3.08Å
226M70.4Confident69.3Low98 Ų9882.2 Ų82.248%0.48341%0.407SS..Hα-helixtrans-84.9-10.9178.6-66.7-177-45.900113.4K222 I224K222-M226 HydrophobicContact CD-CE 4.37Å; K222-M226 HydrophobicContact CD-SD 4.33Å; K222-M226 HydrophobicContact CG-CE 3.92Å; K222-M226 HydrophobicContact CG-CG 4.34Å; K222-M226 HydrophobicContact CG-SD 3.92Å; K222-M226 WeakPolarHBondContact O-CB 3.42Å; K222-M226 VanDerWaalsContact O-CG 3.25Å; K222-M226 WeakPolarHBondContact O-CG 3.36Å; K222-M226 PolarHBondContact O-N 2.8Å; I224-M226 VanDerWaalsContact C-N 3.34Å; I224-M226 PolarHBondContact O-N 3.11Å
227S69.9Low66.7Low16 Ų1686.6 Ų86.611%0.11243%0.43CS..SBendtrans-85.4140179.9-60.90000110.3T223 I224 V241T223-S227 PolarHBondContact O-N 2.83Å; T223-S227 PolarHBondContact O-OG 3.27Å; I224-S227 PolarHBondContact O-N 3.38Å; S227-V241 WeakPolarHBondContact OG-CG2 3.42Å
228P67.9Low64Low57 Ų5792.5 Ų92.537%0.3745%0.454SS..  trans-55.2141.1171.6-24.935000111.6D230 D231 I232 F243P228-D230 PolarHBondContact O-N 2.87Å; P228-D231 HydrophobicContact CB-CB 4.39Å; P228-D231 WeakPolarHBondContact CB-OD2 3.48Å; P228-D231 VanDerWaalsContact CD-OD2 3.24Å; P228-D231 WeakPolarHBondContact CD-OD2 3.49Å; P228-D231 WeakPolarHBondContact CG-OD2 3.44Å; P228-D231 WeakPolarHBondContact O-CB 3.4Å; P228-D231 PolarHBondContact O-N 3.04Å; P228-I232 PolarHBondContact O-N 3.06Å; P228-F243 HydrophobicContact CG-CE1 4.33Å
229T62.1Low61.5Low120 Ų12092.9 Ų92.974%0.73646%0.458SS*.G310 helixtrans-58.7-36-176.4-45.60000112.5D231 I232T229-D231 PolarHBondContact O-N 2.72Å; T229-I232 PolarHBondContact O-N 3.34Å
230D64.1Low59.3Low124 Ų12484.9 Ų84.966%0.66343%0.428SS*.G310 helixtrans-69.3-21.6179.6-64.8-28.8000112.8P228 R233P228-D230 PolarHBondContact O-N 2.87Å; D230-R233 PolarHBondContact O-NH1 2.59Å; D230-R233 PolarHBondContact O-NH2 3.41Å
231D58.3Low57.1Low25 Ų2580.2 Ų80.213%0.13441%0.407CS..G310 helixtrans-84.7-18.6179.2-60.4-13.9000111P228 T229 V241 C242 F243P228-D231 HydrophobicContact CB-CB 4.39Å; P228-D231 WeakPolarHBondContact CB-OD2 3.48Å; P228-D231 VanDerWaalsContact CD-OD2 3.24Å; P228-D231 WeakPolarHBondContact CD-OD2 3.49Å; P228-D231 WeakPolarHBondContact CG-OD2 3.44Å; P228-D231 WeakPolarHBondContact O-CB 3.4Å; P228-D231 PolarHBondContact O-N 3.04Å; T229-D231 PolarHBondContact O-N 2.72Å; D231-V241 HydrophobicContact CB-CG1 3.88Å; D231-V241 WeakPolarHBondContact O-CA 3.36Å; D231-C242 VanDerWaalsContact CB-O 3.24Å; D231-C242 WeakPolarHBondContact CB-O 3.4Å; D231-C242 PolarHBondContact O-N 3.26Å; D231-C242 VanDerWaalsContact OD1-O 3.11Å; D231-F243 WeakPolarHBondContact OD2-CD1 3.49Å; D231-F243 WeakPolarHBondContact OD2-CE1 3.48Å
232I56.5Low55.3Low35 Ų3573.6 Ų73.618%0.17938%0.376CS..  trans-91.3128-177.6-57.5164.1000110.7I224 P228 T229 A239 S240 V241I224-I232 HydrophobicContact CG2-CD1 4.01Å; I224-I232 VanDerWaalsContact O-CD1 3.25Å; I224-I232 WeakPolarHBondContact O-CD1 3.49Å; P228-I232 PolarHBondContact O-N 3.06Å; T229-I232 PolarHBondContact O-N 3.34Å; I232-A239 HydrophobicContact CG2-CB 4.11Å; I232-S240 VanDerWaalsContact CA-O 3.32Å; I232-S240 WeakPolarHBondContact CA-O 3.49Å; I232-V241 HydrophobicContact CG1-CG2 4.27Å
233R58.9Low53.3Low83 Ų8368 Ų6831%0.31335%0.351SS..EExtended strand (participates in β ladder)trans-124.8127.4167.4-67-66.6-179.6-84.4-8.2111.2T177 I181 D230 F235 A239 S240T177-R233 HydrophobicContact CG2-CG 4.21Å; I181-R233 HydrophobicContact CD1-CB 3.62Å; I181-R233 HydrophobicContact CD1-CG 3.39Å; D230-R233 PolarHBondContact O-NH1 2.59Å; D230-R233 PolarHBondContact O-NH2 3.41Å; R233-F235 HydrophobicContact CB-CD2 4.37Å; R233-F235 HydrophobicContact CB-CE2 3.54Å; R233-F235 HydrophobicContact CB-CZ 3.95Å; R233-A239 CarbonylContact O-C 3.26Å; R233-A239 WeakPolarHBondContact O-CA 3.35Å; R233-S240 PolarHBondContact N-O 3.48Å; R233-S240 PolarHBondContact O-N 3.04Å
234S48.4Very low51.3Low104 Ų10470.3 Ų70.373%0.72737%0.367SS*.EExtended strand (participates in β ladder)trans-96120.6177-65.30000110.8
235F51.9Low49.3Very low95 Ų9568.2 Ų68.242%0.41736%0.357SS..  trans-112.7164.2170.3-60-83.4000109.8I181 R233 L237 K238I181-F235 HydrophobicContact CD1-CE2 4.1Å; I181-F235 HydrophobicContact CD1-CZ 4.26Å; I181-F235 HydrophobicContact CG2-CE2 3.85Å; I181-F235 HydrophobicContact CG2-CZ 3.91Å; R233-F235 HydrophobicContact CB-CD2 4.37Å; R233-F235 HydrophobicContact CB-CE2 3.54Å; R233-F235 HydrophobicContact CB-CZ 3.95Å; F235-L237 CarbonylContact O-C 3.6Å; F235-L237 PolarHBondContact O-N 2.84Å; F235-K238 PolarHBondContact N-O 3.17Å; F235-K238 PolarHBondContact O-N 3.1Å
236Q44.4Very low47.1Very low188 Ų18866.8 Ų66.888%0.87936%0.36SS*.SBendtrans-59.92.6169.4-82.8-173.7-16.900113.6
237L34.7Very low45.3Very low95 Ų9566.6 Ų66.650%0.49736%0.364SS..SBendtrans-134.877.6162.8-68.5166.7000110F235F235-L237 CarbonylContact O-C 3.6Å; F235-L237 PolarHBondContact O-N 2.84Å
238K33.9Very low43.5Very low135 Ų13571 Ų7159%0.58740%0.402SS*.  trans57.9165.1168.8-66.4-176.7-177.9174.40117.9F235F235-K238 PolarHBondContact N-O 3.17Å; F235-K238 PolarHBondContact O-N 3.1Å
239A30.8Very low41.6Very low15 Ų1571.5 Ų71.512%0.12442%0.417CS..EExtended strand (participates in β ladder)trans-81.4155.1-172.900000113S217 P218 I232 R233S217-A239 WeakPolarHBondContact CA-O 3.08Å; P218-A239 WeakPolarHBondContact CD-O 3.18Å; I232-A239 HydrophobicContact CG2-CB 4.11Å; R233-A239 CarbonylContact O-C 3.26Å; R233-A239 WeakPolarHBondContact O-CA 3.35Å
240S35.1Very low40.1Very low1 Ų167.5 Ų67.51%0.00740%0.4CS..EExtended strand (participates in β ladder)trans-133.7143.7173.9-70.20000110.7I232 R233I232-S240 VanDerWaalsContact CA-O 3.32Å; I232-S240 WeakPolarHBondContact CA-O 3.49Å; R233-S240 PolarHBondContact N-O 3.48Å; R233-S240 PolarHBondContact O-N 3.04Å
241V35.2Very low39Very low5 Ų565.7 Ų65.73%0.0340%0.397CS..  trans-113.2138.3178.8-176.30000109.8T215 S227 D231 I232 F243T215-V241 WeakPolarHBondContact CA-O 3.3Å; S227-V241 WeakPolarHBondContact OG-CG2 3.42Å; D231-V241 HydrophobicContact CB-CG1 3.88Å; D231-V241 WeakPolarHBondContact O-CA 3.36Å; I232-V241 HydrophobicContact CG1-CG2 4.27Å; V241-F243 HydrophobicContact CG1-CE2 3.82Å; V241-F243 HydrophobicContact CG1-CZ 3.9Å
242C38.1Very low38.9Very low0 Ų066.3 Ų66.30%041%0.406CS..  trans-137.2141176.4-1750000111.9G176 T177 Q213 I214 D231G176-C242 PolarHBondContact O-SG 2.89Å; G176-C242 VanDerWaalsContact O-SG 3.39Å; T177-C242 HydrophobicContact CG2-CB 4.02Å; Q213-C242 VanDerWaalsContact CG-SG 3.58Å; I214-C242 WeakPolarHBondContact O-CA 3.35Å; D231-C242 VanDerWaalsContact CB-O 3.24Å; D231-C242 WeakPolarHBondContact CB-O 3.4Å; D231-C242 PolarHBondContact O-N 3.26Å; D231-C242 VanDerWaalsContact OD1-O 3.11Å
243F37Very low39.2Very low24 Ų2470.2 Ų70.211%0.10542%0.423CS..  trans-118.6140.6175.2-66.2-75.2000110.6I214 P228 D231 V241I214-F243 HydrophobicContact CG2-CB 4.47Å; I214-F243 HydrophobicContact CG2-CD2 3.64Å; I214-F243 HydrophobicContact CG2-CE2 4.46Å; P228-F243 HydrophobicContact CG-CE1 4.33Å; D231-F243 WeakPolarHBondContact OD2-CD1 3.49Å; D231-F243 WeakPolarHBondContact OD2-CE1 3.48Å; V241-F243 HydrophobicContact CG1-CE2 3.82Å; V241-F243 HydrophobicContact CG1-CZ 3.9Å
244C32.1Very low40.2Very low57 Ų5772.1 Ų72.139%0.38543%0.43SS..  trans-129.3141.6175.4-75.70000111.2G176G176-C244 VanDerWaalsContact CA-SG 3.55Å
245V32.9Very low41.9Very low18 Ų1871.7 Ų71.711%0.10942%0.423CS..  trans-115.8121.9179.1-176.80000110.5K300 L301V245-K300 HydrophobicContact CG1-CD 4.01Å; V245-L301 HydrophobicContact CG2-CD2 3.96Å
246P26.7Very low43.7Very low108 Ų10868.2 Ų68.270%0.70141%0.411SS*.  trans-82.4146.3172.37.46.3000112.2
247T33.1Very low45.9Very low93 Ų9360.8 Ų60.857%0.57138%0.379SS*.  trans-114.9140.8170.554.40000110.5
248A31.1Very low48.5Very low109 Ų10956.4 Ų56.490%0.90136%0.356SS*.  trans-112.6134.8-177.200000110.6
249G28.1Very low51.2Low68 Ų6850.1 Ų50.170%0.70133%0.329SS*.  trans-100161.2-173.100000115.3
250G31.6Very low53.9Low36 Ų3650.4 Ų50.437%0.37133%0.331SS..  trans175.7116.7170.400000112.2A252 R254G250-A252 PolarHBondContact O-N 3.49Å; G250-R254 PolarHBondContact O-NH2 3.1Å; G250-R254 VanDerWaalsContact O-NH2 3.08Å
251S40.7Very low56.4Low85 Ų8552.7 Ų52.759%0.59435%0.346SS*.  trans-69.1120.6-177.256.20000112.5
252A55.7Low58.7Low39 Ų3956.4 Ų56.432%0.32239%0.385SS..SBendtrans-158.9169.215900000108.4G250 R254G250-A252 PolarHBondContact O-N 3.49Å; A252-R254 VanDerWaalsContact CB-NH1 3.31Å; A252-R254 WeakPolarHBondContact O-CG 3.34Å; A252-R254 PolarHBondContact O-N 3.36Å
253E62.9Low61.1Low116 Ų11658.2 Ų58.254%0.54239%0.393SS..  trans-58.2122.7161.9-172.8177.5-17900109.1K277E253-K277 VanDerWaalsContact OE1-CD 3.31Å; E253-K277 WeakPolarHBondContact OE1-CD 3.05Å; E253-K277 WeakPolarHBondContact OE1-CE 3.31Å; E253-K277 IonicContact OE1-NZ 3.9Å; E253-K277 PolarHBondContact OE1-NZ 3.2Å
254R78.8Confident63.5Low123 Ų12360.8 Ų60.846%0.46441%0.414SS..EExtended strand (participates in β ladder)trans-122131.1-178.2-58.2-56.4-177.8-158.9-2.6110.5G250 A252 T275 L276 K277G250-R254 PolarHBondContact O-NH2 3.1Å; G250-R254 VanDerWaalsContact O-NH2 3.08Å; A252-R254 VanDerWaalsContact CB-NH1 3.31Å; A252-R254 WeakPolarHBondContact O-CG 3.34Å; A252-R254 PolarHBondContact O-N 3.36Å; R254-T275 PolarHBondContact N-O 2.86Å; R254-L276 HydrophobicContact CB-CD2 3.99Å; R254-L276 WeakPolarHBondContact O-CA 3.21Å; R254-K277 PolarHBondContact O-N 2.91Å
255V86.1Confident66Low96 Ų9659.3 Ų59.358%0.58241%0.408SS*.EExtended strand (participates in β ladder)trans-88.4126.4167.9178.30000108K277V255-K277 CarbonylContact C-O 3.59Å; V255-K277 WeakPolarHBondContact CA-O 3.42Å; V255-K277 HydrophobicContact CG2-CB 4.44Å
256S88.2Confident68.3Low22 Ų2262.9 Ų62.915%0.15443%0.434CS..EExtended strand (participates in β ladder)trans-105127.1177-177.20000110.7C258 L259 K277 Q279S256-C258 PolarHBondContact O-N 3.41Å; S256-C258 PolarHBondContact OG-N 3.15Å; S256-L259 PolarHBondContact O-N 3.3Å; S256-K277 PolarHBondContact N-O 3.15Å; S256-Q279 PolarHBondContact O-N 3.2Å
257P90.7Very high70.8Confident31 Ų3162.8 Ų62.820%0.20142%0.42CS..THydrogen-bonded Turntrans-68.7-14.4172.629.9-33.9000113.1Q279 A288 K292P257-Q279 PolarHBondContact O-OE1 2.82Å; P257-A288 HydrophobicContact CB-CB 3.76Å; P257-K292 HydrophobicContact CG-CB 3.64Å; P257-K292 HydrophobicContact CG-CG 3.82Å
258C90.6Very high72.5Confident4 Ų464.5 Ų64.53%0.02742%0.421CS..THydrogen-bonded Turntrans-90.5-3.3178.8-58.70000113.8S256 C289 L362S256-C258 PolarHBondContact O-N 3.41Å; S256-C258 PolarHBondContact OG-N 3.15Å; C258-C289 HydrophobicContact CB-CB 3.76Å; C258-C289 WeakPolarHBondContact CB-SG 3.4Å; C258-C289 WeakPolarHBondContact SG-CA 3.3Å; C258-C289 WeakPolarHBondContact SG-CB 3.41Å; C258-C289 CovalentContact SG-SG 2.03Å; C258-C289 PolarHBondContact SG-SG 3.39Å; C258-L362 HydrophobicContact CB-CB 3.71Å; C258-L362 HydrophobicContact CB-CD1 4.03Å; C258-L362 HydrophobicContact CB-CG 4.36Å; C258-L362 VanDerWaalsContact SG-CD1 3.5Å
259L90.5Very high74.1Confident2 Ų262.1 Ų62.11%0.0139%0.392CS..SBendtrans-107.9136.1179-65.8175000109.1S256 F263 L276 G278 Q279 P358 F359S256-L259 PolarHBondContact O-N 3.3Å; L259-F263 HydrophobicContact CB-CB 4.48Å; L259-F263 HydrophobicContact CB-CD1 4.12Å; L259-F263 HydrophobicContact CB-CG 4.48Å; L259-F263 HydrophobicContact CD1-CD1 3.64Å; L259-F263 HydrophobicContact CD1-CE1 3.69Å; L259-F263 HydrophobicContact CD2-CD1 4.28Å; L259-F263 HydrophobicContact CD2-CE1 4.31Å; L259-F263 HydrophobicContact CG-CD1 4.23Å; L259-L276 HydrophobicContact CD1-CB 4.03Å; L259-L276 HydrophobicContact CD1-CD1 4.44Å; L259-G278 WeakPolarHBondContact O-CA 3.38Å; L259-Q279 PolarHBondContact O-N 3.24Å; L259-Q279 VanDerWaalsContact O-N 3.1Å; L259-P358 HydrophobicContact CD2-CB 4.43Å; L259-P358 WeakPolarHBondContact CD2-O 3.43Å; L259-F359 HydrophobicContact CD1-CE1 4.14Å; L259-F359 HydrophobicContact CD2-CD1 3.91Å; L259-F359 HydrophobicContact CD2-CE1 4Å
260A86.9Confident75.6Confident22 Ų2261.9 Ų61.918%0.18238%0.383CS..  trans-63.2149.6-175.600000112.6G262 F263 G278 P353A260-G262 PolarHBondContact O-N 3.31Å; A260-F263 VanDerWaalsContact O-CB 3.26Å; A260-F263 WeakPolarHBondContact O-CB 3.39Å; A260-F263 PolarHBondContact O-N 3.14Å; A260-F263 VanDerWaalsContact O-N 3.09Å; A260-G278 VanDerWaalsContact O-CA 3.31Å; A260-G278 WeakPolarHBondContact O-CA 3.46Å; A260-P353 HydrophobicContact CB-CB 3.8Å; A260-P353 HydrophobicContact CB-CG 3.47Å; A260-P353 VanDerWaalsContact CB-CG 3.47Å
261P87.3Confident76.7Confident49 Ų4964.5 Ų64.532%0.31839%0.388SS..THydrogen-bonded Turntrans-52.3137.2175.5-25.534000112.8F263 Q279 E281P261-F263 VanDerWaalsContact C-N 3.28Å; P261-F263 PolarHBondContact O-N 3.12Å; P261-Q279 VanDerWaalsContact CA-O 3.26Å; P261-Q279 WeakPolarHBondContact CA-O 3.43Å; P261-Q279 WeakPolarHBondContact CB-O 3.46Å; P261-Q279 HydrophobicContact CG-CG 4.28Å; P261-E281 HydrophobicContact CB-CG 3.78Å; P261-E281 HydrophobicContact CG-CG 4.41Å
262G84.1Confident77.6Confident82 Ų8263.2 Ų63.285%0.84537%0.374SS*.THydrogen-bonded Turntrans83.1-9.6-177.600000115.4A260 S264A260-G262 PolarHBondContact O-N 3.31Å; G262-S264 PolarHBondContact O-N 3.33Å
263F87.1Confident78.5Confident39 Ų3965.5 Ų65.517%0.17138%0.384CS..  trans-63.2135.1171179.5-92.6000110.8L259 A260 P261 L276 K277 G278 P358L259-F263 HydrophobicContact CB-CB 4.48Å; L259-F263 HydrophobicContact CB-CD1 4.12Å; L259-F263 HydrophobicContact CB-CG 4.48Å; L259-F263 HydrophobicContact CD1-CD1 3.64Å; L259-F263 HydrophobicContact CD1-CE1 3.69Å; L259-F263 HydrophobicContact CD2-CD1 4.28Å; L259-F263 HydrophobicContact CD2-CE1 4.31Å; L259-F263 HydrophobicContact CG-CD1 4.23Å; A260-F263 VanDerWaalsContact O-CB 3.26Å; A260-F263 WeakPolarHBondContact O-CB 3.39Å; A260-F263 PolarHBondContact O-N 3.14Å; A260-F263 VanDerWaalsContact O-N 3.09Å; P261-F263 VanDerWaalsContact C-N 3.28Å; P261-F263 PolarHBondContact O-N 3.12Å; F263-L276 HydrophobicContact CE1-CB 4.47Å; F263-K277 CarbonylContact O-C 3.57Å; F263-K277 VanDerWaalsContact O-CA 3.32Å; F263-K277 WeakPolarHBondContact O-CA 2.95Å; F263-G278 PolarHBondContact O-N 3.12Å; F263-P358 HydrophobicContact CD2-CB 3.95Å; F263-P358 HydrophobicContact CE2-CB 3.28Å; F263-P358 HydrophobicContact CE2-CG 3.81Å; F263-P358 HydrophobicContact CZ-CB 3.69Å; F263-P358 HydrophobicContact CZ-CG 3.94Å
264S88.4Confident79.1Confident78 Ų7861 Ų6155%0.54536%0.362SS..EExtended strand (participates in β ladder)trans-145.6126.1170.1-175.60000108.8G262 L276G262-S264 PolarHBondContact O-N 3.33Å; S264-L276 WeakPolarHBondContact CA-O 3.17Å
265G84.9Confident79.3Confident25 Ų2558.4 Ų58.426%0.25836%0.36SS..EExtended strand (participates in β ladder)trans-159.9173.9-178.500000112.5L276G265-L276 PolarHBondContact N-O 3.11Å; G265-L276 PolarHBondContact O-N 3.39Å
266S81.7Confident79.4Confident94 Ų9454.8 Ų54.866%0.65734%0.337SS*.EExtended strand (participates in β ladder)trans-106.6140.3172.755.20000110.6Y274S266-Y274 CarbonylContact C-O 3.41Å; S266-Y274 VanDerWaalsContact CA-O 3.25Å; S266-Y274 WeakPolarHBondContact CA-O 3.42Å
267W77.4Confident79.4Confident105 Ų10557.7 Ų57.740%0.39835%0.347SS..EExtended strand (participates in β ladder)trans-127.1129.6171.7176.867.2000109.1H269 Y274 L276 F359W267-H269 HydrophobicContact CD2-CB 4.21Å; W267-H269 HydrophobicContact CE3-CB 4Å; W267-H269 HydrophobicContact CH2-CB 3.25Å; W267-H269 AromaticContact CH2-CG 3.42Å; W267-H269 VanDerWaalsContact CH2-CG 3.42Å; W267-H269 AromaticContact CH2-ND1 3.82Å; W267-H269 HydrophobicContact CZ2-CB 3.48Å; W267-H269 VanDerWaalsContact CZ2-CB 3.48Å; W267-H269 AromaticContact CZ2-CG 3.73Å; W267-H269 AromaticContact CZ2-ND1 3.75Å; W267-H269 HydrophobicContact CZ3-CB 3.52Å; W267-Y274 AromaticContact CE3-CD2 3.54Å; W267-Y274 HydrophobicContact CE3-CD2 3.54Å; W267-Y274 HydrophobicContact CE3-CE2 4.14Å; W267-Y274 HydrophobicContact CE3-CG 4.09Å; W267-Y274 AromaticContact CZ3-CD2 3.84Å; W267-Y274 HydrophobicContact CZ3-CD2 3.84Å; W267-Y274 AromaticContact CZ3-CE2 3.97Å; W267-Y274 HydrophobicContact CZ3-CE2 3.97Å; W267-Y274 PolarHBondContact N-O 3.06Å; W267-Y274 PolarHBondContact O-N 3.35Å; W267-L276 HydrophobicContact CB-CD1 3.52Å; W267-L276 HydrophobicContact CB-CG 4.21Å; W267-L276 HydrophobicContact CG-CD1 4.2Å; W267-F359 HydrophobicContact CB-CZ 4.26Å; W267-F359 HydrophobicContact CG-CZ 4.4Å
268E69.2Low79.2Confident129 Ų12956.8 Ų56.860%0.60334%0.343SS*.EExtended strand (participates in β ladder)trans-104.8129.1178.5-171.8-179157.500110I272 V273E268-I272 WeakPolarHBondContact CA-O 3.07Å; E268-V273 HydrophobicContact CB-CG2 4.39Å; E268-V273 HydrophobicContact CG-CG2 4.12Å
269H66.2Low79Confident60 Ų6057 Ų5728%0.27834%0.344SS..EExtended strand (participates in β ladder)trans-148.6129.1175.6-177.482.5000110.8W267 D271 I272 Y274W267-H269 HydrophobicContact CD2-CB 4.21Å; W267-H269 HydrophobicContact CE3-CB 4Å; W267-H269 HydrophobicContact CH2-CB 3.25Å; W267-H269 AromaticContact CH2-CG 3.42Å; W267-H269 VanDerWaalsContact CH2-CG 3.42Å; W267-H269 AromaticContact CH2-ND1 3.82Å; W267-H269 HydrophobicContact CZ2-CB 3.48Å; W267-H269 VanDerWaalsContact CZ2-CB 3.48Å; W267-H269 AromaticContact CZ2-CG 3.73Å; W267-H269 AromaticContact CZ2-ND1 3.75Å; W267-H269 HydrophobicContact CZ3-CB 3.52Å; H269-D271 VanDerWaalsContact C-N 3.28Å; H269-D271 PolarHBondContact O-N 3.02Å; H269-I272 PolarHBondContact N-O 3.35Å; H269-I272 WeakPolarHBondContact O-CB 3.13Å; H269-I272 PolarHBondContact O-N 3.36Å; H269-I272 VanDerWaalsContact O-N 3.08Å; H269-Y274 HydrophobicContact CB-CE2 4.23Å
270A57.9Low78.8Confident62 Ų6265.4 Ų65.451%0.51238%0.38SS..THydrogen-bonded Turntrans50.248.3-176.200000112.2I272A270-I272 PolarHBondContact O-N 3.06Å; A270-I272 VanDerWaalsContact O-N 3.08Å
271D55.9Low78.5Confident91 Ų9172.6 Ų72.649%0.48741%0.41SS..THydrogen-bonded Turntrans61.513-179.2-47.2-40.5000115H269H269-D271 VanDerWaalsContact C-N 3.28Å; H269-D271 PolarHBondContact O-N 3.02Å
272I60Low78.3Confident58 Ų5874.3 Ų74.330%0.29744%0.436SS..EExtended strand (participates in β ladder)trans-106123174.1-58.8171.1000108.9E268 H269 A270 Y274E268-I272 WeakPolarHBondContact CA-O 3.07Å; H269-I272 PolarHBondContact N-O 3.35Å; H269-I272 WeakPolarHBondContact O-CB 3.13Å; H269-I272 PolarHBondContact O-N 3.36Å; H269-I272 VanDerWaalsContact O-N 3.08Å; A270-I272 PolarHBondContact O-N 3.06Å; A270-I272 VanDerWaalsContact O-N 3.08Å; I272-Y274 HydrophobicContact CB-CD2 4.44Å; I272-Y274 HydrophobicContact CB-CE2 3.69Å; I272-Y274 HydrophobicContact CG2-CD1 4.46Å; I272-Y274 HydrophobicContact CG2-CD2 4.07Å; I272-Y274 HydrophobicContact CG2-CE1 3.99Å; I272-Y274 HydrophobicContact CG2-CE2 3.54Å; I272-Y274 HydrophobicContact CG2-CG 4.49Å; I272-Y274 VanDerWaalsContact CG2-CZ 3.49Å; I272-Y274 VanDerWaalsContact O-CD2 3.3Å; I272-Y274 WeakPolarHBondContact O-CD2 3.23Å; I272-Y274 WeakPolarHBondContact O-CE2 3.21Å
273V73.4Confident78.4Confident88 Ų8876.3 Ų76.353%0.53342%0.424SS..EExtended strand (participates in β ladder)trans-88.9117.9172.2-175.20000109.7E268E268-V273 HydrophobicContact CB-CG2 4.39Å; E268-V273 HydrophobicContact CG-CG2 4.12Å
274Y75.8Confident78.6Confident21 Ų2178.3 Ų78.38%0.08244%0.441CS..EExtended strand (participates in β ladder)trans-99133.7175.7-61.7-91.1000110.1S266 W267 H269 I272S266-Y274 CarbonylContact C-O 3.41Å; S266-Y274 VanDerWaalsContact CA-O 3.25Å; S266-Y274 WeakPolarHBondContact CA-O 3.42Å; W267-Y274 AromaticContact CE3-CD2 3.54Å; W267-Y274 HydrophobicContact CE3-CD2 3.54Å; W267-Y274 HydrophobicContact CE3-CE2 4.14Å; W267-Y274 HydrophobicContact CE3-CG 4.09Å; W267-Y274 AromaticContact CZ3-CD2 3.84Å; W267-Y274 HydrophobicContact CZ3-CD2 3.84Å; W267-Y274 AromaticContact CZ3-CE2 3.97Å; W267-Y274 HydrophobicContact CZ3-CE2 3.97Å; W267-Y274 PolarHBondContact N-O 3.06Å; W267-Y274 PolarHBondContact O-N 3.35Å; H269-Y274 HydrophobicContact CB-CE2 4.23Å; I272-Y274 HydrophobicContact CB-CD2 4.44Å; I272-Y274 HydrophobicContact CB-CE2 3.69Å; I272-Y274 HydrophobicContact CG2-CD1 4.46Å; I272-Y274 HydrophobicContact CG2-CD2 4.07Å; I272-Y274 HydrophobicContact CG2-CE1 3.99Å; I272-Y274 HydrophobicContact CG2-CE2 3.54Å; I272-Y274 HydrophobicContact CG2-CG 4.49Å; I272-Y274 VanDerWaalsContact CG2-CZ 3.49Å; I272-Y274 VanDerWaalsContact O-CD2 3.3Å; I272-Y274 WeakPolarHBondContact O-CD2 3.23Å; I272-Y274 WeakPolarHBondContact O-CE2 3.21Å
275T83.8Confident78.8Confident69 Ų6975.6 Ų75.642%0.42342%0.421SS..EExtended strand (participates in β ladder)trans-89.6117.7165.5-58.30000108.7R254R254-T275 PolarHBondContact N-O 2.86Å
276L87.8Confident79.3Confident19 Ų1975.9 Ų75.910%0.09942%0.415CS..EExtended strand (participates in β ladder)trans-109.9133.8-176.5-61.6-178.6000110.5R254 L259 F263 S264 G265 W267 F359R254-L276 HydrophobicContact CB-CD2 3.99Å; R254-L276 WeakPolarHBondContact O-CA 3.21Å; L259-L276 HydrophobicContact CD1-CB 4.03Å; L259-L276 HydrophobicContact CD1-CD1 4.44Å; F263-L276 HydrophobicContact CE1-CB 4.47Å; S264-L276 WeakPolarHBondContact CA-O 3.17Å; G265-L276 PolarHBondContact N-O 3.11Å; G265-L276 PolarHBondContact O-N 3.39Å; W267-L276 HydrophobicContact CB-CD1 3.52Å; W267-L276 HydrophobicContact CB-CG 4.21Å; W267-L276 HydrophobicContact CG-CD1 4.2Å; L276-F359 HydrophobicContact CD1-CE1 3.64Å; L276-F359 HydrophobicContact CD1-CZ 3.75Å
277K88.6Confident80Confident84 Ų8475.1 Ų75.137%0.36540%0.4SS..EExtended strand (participates in β ladder)trans-120.7149172.5-73-177177167.90111.5E253 R254 V255 S256 F263E253-K277 VanDerWaalsContact OE1-CD 3.31Å; E253-K277 WeakPolarHBondContact OE1-CD 3.05Å; E253-K277 WeakPolarHBondContact OE1-CE 3.31Å; E253-K277 IonicContact OE1-NZ 3.9Å; E253-K277 PolarHBondContact OE1-NZ 3.2Å; R254-K277 PolarHBondContact O-N 2.91Å; V255-K277 CarbonylContact C-O 3.59Å; V255-K277 WeakPolarHBondContact CA-O 3.42Å; V255-K277 HydrophobicContact CG2-CB 4.44Å; S256-K277 PolarHBondContact N-O 3.15Å; F263-K277 CarbonylContact O-C 3.57Å; F263-K277 VanDerWaalsContact O-CA 3.32Å; F263-K277 WeakPolarHBondContact O-CA 2.95Å
278G86.1Confident80.8Confident11 Ų1171.1 Ų71.111%0.11339%0.39CS..EExtended strand (participates in β ladder)trans-65.6160.9169.400000113.4L259 A260 F263L259-G278 WeakPolarHBondContact O-CA 3.38Å; A260-G278 VanDerWaalsContact O-CA 3.31Å; A260-G278 WeakPolarHBondContact O-CA 3.46Å; F263-G278 PolarHBondContact O-N 3.12Å
279Q86.2Confident82Confident10 Ų1065 Ų655%0.04736%0.361CS..PPolyproline II helixtrans-65.9170.3175.268.8176.615.800112.9S256 P257 L259 P261 E283 V285 A288S256-Q279 PolarHBondContact O-N 3.2Å; P257-Q279 PolarHBondContact O-OE1 2.82Å; L259-Q279 PolarHBondContact O-N 3.24Å; L259-Q279 VanDerWaalsContact O-N 3.1Å; P261-Q279 VanDerWaalsContact CA-O 3.26Å; P261-Q279 WeakPolarHBondContact CA-O 3.43Å; P261-Q279 WeakPolarHBondContact CB-O 3.46Å; P261-Q279 HydrophobicContact CG-CG 4.28Å; Q279-E283 PolarHBondContact NE2-O 3.44Å; Q279-V285 HydrophobicContact CG-CG2 4.41Å; Q279-V285 VanDerWaalsContact NE2-CG2 3.27Å; Q279-A288 VanDerWaalsContact OE1-CB 3.26Å
280K85.7Confident83.4Confident177 Ų17763.8 Ų63.877%0.7736%0.356SS*.PPolyproline II helixtrans-71.1153176.8-64.3-178.8-178.7178.50110.8
281E81.9Confident85.1Confident174 Ų17464.4 Ų64.481%0.81335%0.351SS*.THydrogen-bonded Turntrans-61145.8170.2-69.7-176.9174.700111.2P261P261-E281 HydrophobicContact CB-CG 3.78Å; P261-E281 HydrophobicContact CG-CG 4.41Å
282G82.1Confident86.8Confident84 Ų8465.6 Ų65.687%0.86635%0.352SS*.THydrogen-bonded Turntrans101.7-15.1176.300000115.5
283E86.1Confident88.2Confident124 Ų12463.1 Ų63.158%0.57934%0.34SS*.SBendtrans-98.3136.6172.8-70.8-176-168.700111.5Q279 V285Q279-E283 PolarHBondContact NE2-O 3.44Å; E283-V285 PolarHBondContact O-N 2.95Å
284P91.9Very high89Confident82 Ų8262.6 Ų62.653%0.53233%0.332SS..  trans-65.6118.9172-23.835.8000112Y286 E287 A288P284-Y286 PolarHBondContact O-N 3.03Å; P284-E287 HydrophobicContact CB-CB 4.31Å; P284-E287 HydrophobicContact CB-CG 4.42Å; P284-E287 WeakPolarHBondContact CB-OE2 3.46Å; P284-E287 PolarHBondContact O-N 2.92Å; P284-A288 WeakPolarHBondContact O-CB 3.31Å; P284-A288 PolarHBondContact O-N 3.14Å; P284-A288 VanDerWaalsContact O-N 3.1Å
285V93Very high89.6Confident21 Ų2168.3 Ų68.313%0.12736%0.357CS..Hα-helixtrans-59.4-44.1-175.9177.90000111.8Q279 E283 C289 C349Q279-V285 HydrophobicContact CG-CG2 4.41Å; Q279-V285 VanDerWaalsContact NE2-CG2 3.27Å; E283-V285 PolarHBondContact O-N 2.95Å; V285-C289 WeakPolarHBondContact O-CB 3.42Å; V285-C289 PolarHBondContact O-N 3.2Å; V285-C349 HydrophobicContact CG1-CB 4.44Å
286Y95Very high89.6Confident31 Ų3168.1 Ų68.112%0.12236%0.356CS..Hα-helixtrans-60.8-51.4-177.9177-112.3000111.8P284 C289 L290 A345 E346 C349 V365P284-Y286 PolarHBondContact O-N 3.03Å; Y286-C289 PolarHBondContact O-N 3.17Å; Y286-L290 HydrophobicContact CE1-CD2 4.3Å; Y286-L290 WeakPolarHBondContact O-CB 3.49Å; Y286-L290 PolarHBondContact O-N 3.43Å; Y286-A345 HydrophobicContact CE2-CB 3.98Å; Y286-E346 HydrophobicContact CD1-CB 4.45Å; Y286-E346 HydrophobicContact CD1-CG 4.11Å; Y286-E346 HydrophobicContact CD2-CB 4.31Å; Y286-E346 HydrophobicContact CE1-CB 4.19Å; Y286-E346 HydrophobicContact CE1-CG 4.07Å; Y286-E346 HydrophobicContact CE2-CB 4.05Å; Y286-E346 HydrophobicContact CG-CG 4.44Å; Y286-C349 HydrophobicContact CD2-CB 3.95Å; Y286-C349 HydrophobicContact CG-CB 4.27Å; Y286-V365 HydrophobicContact CD2-CG2 3.98Å; Y286-V365 HydrophobicContact CE2-CG2 3.95Å
287E95.8Very high89.3Confident77 Ų7767.3 Ų67.336%0.3635%0.351SS..Hα-helixtrans-67.1-40.9-176.8-69.472.7-169.500111.8P284 N291 R350P284-E287 HydrophobicContact CB-CB 4.31Å; P284-E287 HydrophobicContact CB-CG 4.42Å; P284-E287 WeakPolarHBondContact CB-OE2 3.46Å; P284-E287 PolarHBondContact O-N 2.92Å; E287-N291 VanDerWaalsContact O-CB 3.3Å; E287-N291 WeakPolarHBondContact O-CB 3.44Å; E287-N291 PolarHBondContact O-N 3.26Å; E287-R350 IonicContact OE1-CZ 3.67Å; E287-R350 IonicContact OE1-NE 3.78Å; E287-R350 IonicContact OE1-NH2 2.77Å; E287-R350 PolarHBondContact OE1-NH2 3.04Å
288A94.7Very high88.8Confident21 Ų2169.7 Ų69.717%0.17436%0.359CS..Hα-helixtrans-64.4-43.417600000111.4P257 Q279 P284 K292P257-A288 HydrophobicContact CB-CB 3.76Å; Q279-A288 VanDerWaalsContact OE1-CB 3.26Å; P284-A288 WeakPolarHBondContact O-CB 3.31Å; P284-A288 PolarHBondContact O-N 3.14Å; P284-A288 VanDerWaalsContact O-N 3.1Å; A288-K292 PolarHBondContact O-N 2.84Å; A288-K292 VanDerWaalsContact O-N 3.13Å
289C94.6Very high88.2Confident0 Ų079 Ų790%039%0.39CS..Hα-helixtrans-63.5-50.4175.8-173.30000112C258 V285 Y286 N291 K292 V293 V365C258-C289 HydrophobicContact CB-CB 3.76Å; C258-C289 WeakPolarHBondContact CB-SG 3.4Å; C258-C289 WeakPolarHBondContact SG-CA 3.3Å; C258-C289 WeakPolarHBondContact SG-CB 3.41Å; C258-C289 CovalentContact SG-SG 2.03Å; C258-C289 PolarHBondContact SG-SG 3.39Å; V285-C289 WeakPolarHBondContact O-CB 3.42Å; V285-C289 PolarHBondContact O-N 3.2Å; Y286-C289 PolarHBondContact O-N 3.17Å; C289-N291 VanDerWaalsContact C-N 3.32Å; C289-N291 PolarHBondContact O-N 3.28Å; C289-K292 PolarHBondContact O-N 3.02Å; C289-V293 WeakPolarHBondContact O-CG2 3.22Å; C289-V293 PolarHBondContact O-N 2.95Å; C289-V365 HydrophobicContact CB-CG2 4.45Å
290L94.9Very high87.7Confident35 Ų3583.5 Ų83.518%0.18341%0.41CS..Hα-helixtrans-53.9-49.4178.818066.9000111.1Y286 K292 V293 Q294 V365 V369Y286-L290 HydrophobicContact CE1-CD2 4.3Å; Y286-L290 WeakPolarHBondContact O-CB 3.49Å; Y286-L290 PolarHBondContact O-N 3.43Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 2.8Å; L290-V293 PolarHBondContact O-N 2.78Å; L290-Q294 HydrophobicContact CD1-CG 4.37Å; L290-Q294 WeakPolarHBondContact O-CB 3.08Å; L290-Q294 VanDerWaalsContact O-CG 3.28Å; L290-Q294 WeakPolarHBondContact O-CG 3.46Å; L290-Q294 PolarHBondContact O-N 3.14Å; L290-V365 HydrophobicContact CB-CG1 4.31Å; L290-V365 HydrophobicContact CD1-CG1 4.17Å; L290-V369 HydrophobicContact CD1-CG2 3.42Å; L290-V369 VanDerWaalsContact CD1-CG2 3.42Å
291N94.4Very high87.2Confident76 Ų7676.1 Ų76.141%0.40638%0.379SS..Hα-helixtrans-59.9-42.2178.2-171.8-47.4000111.7E287 C289 K295E287-N291 VanDerWaalsContact O-CB 3.3Å; E287-N291 WeakPolarHBondContact O-CB 3.44Å; E287-N291 PolarHBondContact O-N 3.26Å; C289-N291 VanDerWaalsContact C-N 3.32Å; C289-N291 PolarHBondContact O-N 3.28Å; N291-K295 WeakPolarHBondContact O-CG 3.47Å; N291-K295 PolarHBondContact O-N 2.89Å; N291-K295 VanDerWaalsContact O-N 3.09Å; N291-K295 WeakPolarHBondContact OD1-CD 3.49Å; N291-K295 WeakPolarHBondContact OD1-CE 3.13Å; N291-K295 PolarHBondContact OD1-NZ 3.04Å
292K91.1Very high86.9Confident115 Ų11570.2 Ų70.250%0.536%0.357SS..Hα-helixtrans-66.4-45178.9-173.362.7175.7-177.20111.8P257 A288 C289 L290 K295 V296P257-K292 HydrophobicContact CG-CB 3.64Å; P257-K292 HydrophobicContact CG-CG 3.82Å; A288-K292 PolarHBondContact O-N 2.84Å; A288-K292 VanDerWaalsContact O-N 3.13Å; C289-K292 PolarHBondContact O-N 3.02Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 2.8Å; K292-K295 PolarHBondContact O-N 2.75Å; K292-V296 WeakPolarHBondContact O-CG2 3.5Å; K292-V296 PolarHBondContact O-N 3.27Å
293V89.3Confident86.6Confident7 Ų769 Ų694%0.04234%0.338CS..Hα-helixtrans-64.2-46.5178.6169.60000111C289 L290 K295 V296 L297 L362 V365 Y366 V369C289-V293 WeakPolarHBondContact O-CG2 3.22Å; C289-V293 PolarHBondContact O-N 2.95Å; L290-V293 PolarHBondContact O-N 2.78Å; V293-K295 VanDerWaalsContact C-N 3.29Å; V293-K295 PolarHBondContact O-N 2.83Å; V293-V296 WeakPolarHBondContact O-CB 3.48Å; V293-V296 PolarHBondContact O-N 3.28Å; V293-L297 HydrophobicContact CG1-CD1 4.06Å; V293-L297 PolarHBondContact O-N 3.31Å; V293-L362 HydrophobicContact CG2-CD1 3.96Å; V293-V365 HydrophobicContact CB-CG1 3.97Å; V293-V365 HydrophobicContact CG1-CG1 4.28Å; V293-V365 HydrophobicContact CG2-CG1 3.82Å; V293-Y366 HydrophobicContact CG1-CD2 4.17Å; V293-V369 HydrophobicContact CB-CG2 4.48Å; V293-V369 HydrophobicContact CG1-CB 3.76Å; V293-V369 HydrophobicContact CG1-CG1 4.11Å; V293-V369 HydrophobicContact CG1-CG2 3.84Å
294Q90.3Very high86.1Confident77 Ų7763.5 Ų63.536%0.3632%0.315SS..Hα-helixtrans-55.4-44.5175-76.1174.8-33.100111.6L290 V296 L297 Y298 V369L290-Q294 HydrophobicContact CD1-CG 4.37Å; L290-Q294 WeakPolarHBondContact O-CB 3.08Å; L290-Q294 VanDerWaalsContact O-CG 3.28Å; L290-Q294 WeakPolarHBondContact O-CG 3.46Å; L290-Q294 PolarHBondContact O-N 3.14Å; Q294-V296 VanDerWaalsContact C-N 3.32Å; Q294-V296 PolarHBondContact O-N 2.92Å; Q294-L297 PolarHBondContact O-N 2.97Å; Q294-Y298 WeakPolarHBondContact O-CA 3.09Å; Q294-Y298 WeakPolarHBondContact O-CB 3.4Å; Q294-Y298 PolarHBondContact O-N 3.36Å; Q294-V369 HydrophobicContact CG-CG1 3.81Å; Q294-V369 HydrophobicContact CG-CG2 4.08Å
295K88.1Confident85.6Confident140 Ų14063.8 Ų63.861%0.60932%0.316SS*.Hα-helixtrans-62.5-35.8175-76.9169.9174.4158.80113.4N291 K292 V293N291-K295 WeakPolarHBondContact O-CG 3.47Å; N291-K295 PolarHBondContact O-N 2.89Å; N291-K295 VanDerWaalsContact O-N 3.09Å; N291-K295 WeakPolarHBondContact OD1-CD 3.49Å; N291-K295 WeakPolarHBondContact OD1-CE 3.13Å; N291-K295 PolarHBondContact OD1-NZ 3.04Å; K292-K295 PolarHBondContact O-N 2.75Å; V293-K295 VanDerWaalsContact C-N 3.29Å; V293-K295 PolarHBondContact O-N 2.83Å
296V83.5Confident85.2Confident66 Ų6663.1 Ų63.140%0.431%0.312SS..Hα-helixtrans-69-36.8178.7168.20000111.4K292 V293 Q294 K300K292-V296 WeakPolarHBondContact O-CG2 3.5Å; K292-V296 PolarHBondContact O-N 3.27Å; V293-V296 WeakPolarHBondContact O-CB 3.48Å; V293-V296 PolarHBondContact O-N 3.28Å; Q294-V296 VanDerWaalsContact C-N 3.32Å; Q294-V296 PolarHBondContact O-N 2.92Å; V296-K300 WeakPolarHBondContact O-CD 3.4Å; V296-K300 WeakPolarHBondContact O-CE 3.35Å; V296-K300 PolarHBondContact O-NZ 2.89Å; V296-K300 VanDerWaalsContact O-NZ 3.13Å
297L82.6Confident84.7Confident1 Ų161.7 Ų61.71%0.00531%0.306CS..Hα-helixtrans-90.2-16.4-178.4-65.7179000113.8V293 Q294 R299 K300 L301 Y366 V369 L370V293-L297 HydrophobicContact CG1-CD1 4.06Å; V293-L297 PolarHBondContact O-N 3.31Å; Q294-L297 PolarHBondContact O-N 2.97Å; L297-R299 PolarHBondContact O-N 3.39Å; L297-K300 WeakPolarHBondContact O-CB 3.21Å; L297-K300 PolarHBondContact O-N 3.33Å; L297-L301 HydrophobicContact CB-CD1 4.3Å; L297-L301 HydrophobicContact CD2-CD1 4.31Å; L297-Y366 HydrophobicContact CD1-CD2 4.39Å; L297-Y366 HydrophobicContact CD1-CE2 4.17Å; L297-Y366 HydrophobicContact CD2-CE2 3.85Å; L297-Y366 HydrophobicContact CG-CE2 4.28Å; L297-V369 HydrophobicContact CD1-CB 4.14Å; L297-V369 HydrophobicContact CD1-CG1 3.77Å; L297-L370 HydrophobicContact CD1-CB 4.21Å
298Y78.3Confident84.3Confident134 Ų13459.4 Ų59.453%0.52530%0.3SS..THydrogen-bonded Turntrans-50.7123.4-177.3-180-109.1000112.6Q294 K300Q294-Y298 WeakPolarHBondContact O-CA 3.09Å; Q294-Y298 WeakPolarHBondContact O-CB 3.4Å; Q294-Y298 PolarHBondContact O-N 3.36Å; Y298-K300 PolarHBondContact O-N 2.81Å; Y298-K300 VanDerWaalsContact O-N 3.11Å
299R72.9Confident84.1Confident206 Ų20664.6 Ų64.678%0.77733%0.325SS*.THydrogen-bonded Turntrans57.714.8-179.2-63.5-177.3178.3-173.5-0.5115.6L297L297-R299 PolarHBondContact O-N 3.39Å
300K74.8Confident84Confident106 Ų10665 Ų6546%0.46133%0.328SS..THydrogen-bonded Turntrans-94.4-10.1173.8-61.4-166.1-177173.80113.5V245 V296 L297 Y298V245-K300 HydrophobicContact CG1-CD 4.01Å; V296-K300 WeakPolarHBondContact O-CD 3.4Å; V296-K300 WeakPolarHBondContact O-CE 3.35Å; V296-K300 PolarHBondContact O-NZ 2.89Å; V296-K300 VanDerWaalsContact O-NZ 3.13Å; L297-K300 WeakPolarHBondContact O-CB 3.21Å; L297-K300 PolarHBondContact O-N 3.33Å; Y298-K300 PolarHBondContact O-N 2.81Å; Y298-K300 VanDerWaalsContact O-N 3.11Å
301L76.6Confident84Confident21 Ų2167.6 Ų67.611%0.1134%0.342CS..  trans-121.9142.7-175.6-58.6170.8000109V245 L297 L370 E373 L374V245-L301 HydrophobicContact CG2-CD2 3.96Å; L297-L301 HydrophobicContact CB-CD1 4.3Å; L297-L301 HydrophobicContact CD2-CD1 4.31Å; L301-L370 HydrophobicContact CD1-CD1 3.56Å; L301-L370 HydrophobicContact CD2-CD1 4.08Å; L301-L370 HydrophobicContact CG-CD1 4.48Å; L301-E373 HydrophobicContact CD1-CB 3.61Å; L301-E373 HydrophobicContact CD1-CG 4.44Å; L301-L374 HydrophobicContact CD2-CD2 4.42Å
302S74.2Confident84.1Confident51 Ų5164 Ų6436%0.35732%0.323SS..  trans-107.5114.6171.2-61.30000108.1
303A76.5Confident84.3Confident57 Ų5760 Ų6047%0.47131%0.305SS..  trans-64.8136.6175.200000110.1P305A303-P305 WeakPolarHBondContact O-CD 3.41Å
304A76.8Confident84.5Confident10 Ų1059.7 Ų59.78%0.08330%0.302CS..  trans-113.798.5172.300000108.5F216 E306 A307F216-A304 HydrophobicContact CE1-CB 4.04Å; F216-A304 HydrophobicContact CZ-CB 3.79Å; A304-E306 PolarHBondContact O-N 2.86Å; A304-A307 HydrophobicContact CB-CB 4.49Å; A304-A307 WeakPolarHBondContact O-CB 3.41Å; A304-A307 PolarHBondContact O-N 3.39Å
305P79.4Confident84.5Confident87 Ų8756.2 Ų56.257%0.56529%0.286SS*.G310 helixtrans-54.5-31.9-175.4-28.135.1000113.8A303 A307 A308A303-P305 WeakPolarHBondContact O-CD 3.41Å; P305-A307 PolarHBondContact O-N 2.94Å; P305-A308 WeakPolarHBondContact O-CB 3.49Å; P305-A308 PolarHBondContact O-N 3.5Å
306E85.9Confident84.5Confident8 Ų852 Ų524%0.03727%0.274CS..G310 helixtrans-62.5-24.1176.6-176.7170.6-171.200113.8F216 R219 H220 T223 A304 A308 D309 V310F216-E306 HydrophobicContact CE2-CB 4.32Å; F216-E306 HydrophobicContact CE2-CG 4.19Å; R219-E306 WeakPolarHBondContact CA-OE1 3.39Å; R219-E306 WeakPolarHBondContact CB-OE1 3.5Å; R219-E306 WeakPolarHBondContact CG-OE1 3.49Å; R219-E306 PolarHBondContact N-OE1 3.49Å; R219-E306 PolarHBondContact N-OE2 3.5Å; H220-E306 IonicContact CG-OE2 2.93Å; H220-E306 PolarHBondContact N-OE1 3.17Å; H220-E306 PolarHBondContact N-OE2 3.23Å; H220-E306 VanDerWaalsContact ND1-CD 3.31Å; H220-E306 IonicContact ND1-OE1 2.69Å; H220-E306 PolarHBondContact ND1-OE1 2.9Å; H220-E306 IonicContact ND1-OE2 3.92Å; H220-E306 PolarHBondContact ND1-OE2 2.9Å; T223-E306 VanDerWaalsContact CB-OE2 3.31Å; T223-E306 WeakPolarHBondContact CB-OE2 3.4Å; T223-E306 HydrophobicContact CG2-CB 4.47Å; T223-E306 PolarHBondContact OG1-OE2 3.5Å; A304-E306 PolarHBondContact O-N 2.86Å; E306-A308 PolarHBondContact O-N 3.39Å; E306-A308 VanDerWaalsContact O-N 3.14Å; E306-D309 PolarHBondContact O-N 2.88Å; E306-V310 HydrophobicContact CG-CG2 4.44Å
307A85.3Confident84.8Confident0 Ų051.8 Ų51.80%027%0.268CS..G310 helixtrans-61.2-23.4176.600000112.4F216 A304 P305 D309 V310 F312 F376F216-A307 HydrophobicContact CE1-CB 4.31Å; A304-A307 HydrophobicContact CB-CB 4.49Å; A304-A307 WeakPolarHBondContact O-CB 3.41Å; A304-A307 PolarHBondContact O-N 3.39Å; P305-A307 PolarHBondContact O-N 2.94Å; A307-D309 PolarHBondContact O-N 3.31Å; A307-V310 PolarHBondContact O-N 2.84Å; A307-F312 HydrophobicContact CB-CE2 3.95Å; A307-F312 HydrophobicContact CB-CZ 3.99Å; A307-F312 WeakPolarHBondContact O-CE2 3.22Å; A307-F376 HydrophobicContact CB-CE1 4.02Å; A307-F376 HydrophobicContact CB-CZ 4.14Å
308A87.4Confident85.4Confident29 Ų2951.8 Ų51.824%0.2427%0.268CS..G310 helixtrans-61-31.7173.900000112.5P305 E306 P377 K380P305-A308 WeakPolarHBondContact O-CB 3.49Å; P305-A308 PolarHBondContact O-N 3.5Å; E306-A308 PolarHBondContact O-N 3.39Å; E306-A308 VanDerWaalsContact O-N 3.14Å; A308-P377 HydrophobicContact CB-CG 4.1Å; A308-K380 PolarHBondContact O-NZ 2.96Å
309D89.9Confident86.2Confident130 Ų13045.8 Ų45.870%0.69525%0.245SC*.THydrogen-bonded Turntrans-96.6-8.9-173.6-60-40000113.5E306 A307E306-D309 PolarHBondContact O-N 2.88Å; A307-D309 PolarHBondContact O-N 3.31Å
310V91.9Very high87.2Confident10 Ų1039.6 Ų39.66%0.06123%0.227CC..SBendtrans-95.8132.8-178.3175.20000110.2F216 E306 A307 F312 K380F216-V310 HydrophobicContact CB-CG1 4.15Å; F216-V310 HydrophobicContact CD2-CG2 4.08Å; E306-V310 HydrophobicContact CG-CG2 4.44Å; A307-V310 PolarHBondContact O-N 2.84Å; V310-F312 HydrophobicContact CB-CD2 4.33Å; V310-F312 HydrophobicContact CB-CE2 3.72Å; V310-F312 HydrophobicContact CB-CZ 4.4Å; V310-F312 HydrophobicContact CG1-CD2 4.29Å; V310-F312 HydrophobicContact CG1-CE2 3.87Å; V310-F312 HydrophobicContact CG1-CZ 4.29Å; V310-F312 WeakPolarHBondContact O-CD2 3.46Å; V310-F312 WeakPolarHBondContact O-CE2 3.47Å; V310-K380 WeakPolarHBondContact O-CE 3.26Å; V310-K380 PolarHBondContact O-NZ 2.94Å
311D94.8Very high88.1Confident88 Ų8835.8 Ų35.847%0.47121%0.21SC..  trans-68.1133.6172-77.7-21.7000110.5V202 G203V202-D311 CarbonylContact C-O 3.48Å; V202-D311 WeakPolarHBondContact CA-O 3.41Å; V202-D311 WeakPolarHBondContact CB-O 3.3Å; V202-D311 HydrophobicContact CG1-CB 4.1Å; G203-D311 PolarHBondContact N-O 3.41Å
312F95.7Very high89.1Confident1 Ų134.8 Ų34.80%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-117.9139.8-178.5-82.1-94.6000112.5G203 L205 I214 F216 A307 V310 F376 L382 R383G203-F312 WeakPolarHBondContact O-CA 3.37Å; L205-F312 HydrophobicContact CD1-CB 4.48Å; L205-F312 HydrophobicContact CD1-CD1 4.29Å; L205-F312 HydrophobicContact CD2-CD1 4.49Å; L205-F312 HydrophobicContact CG-CD1 3.83Å; L205-F312 HydrophobicContact CG-CE1 4.37Å; I214-F312 HydrophobicContact CD1-CE1 4.26Å; I214-F312 HydrophobicContact CD1-CZ 4.3Å; I214-F312 HydrophobicContact CG1-CE1 3.92Å; I214-F312 HydrophobicContact CG1-CZ 4.36Å; F216-F312 HydrophobicContact CB-CE1 4.33Å; F216-F312 HydrophobicContact CB-CZ 4.03Å; F216-F312 HydrophobicContact CD1-CE1 4.39Å; F216-F312 AromaticContact CD1-CZ 3.85Å; F216-F312 HydrophobicContact CD1-CZ 3.85Å; F216-F312 HydrophobicContact CG-CZ 4.07Å; A307-F312 HydrophobicContact CB-CE2 3.95Å; A307-F312 HydrophobicContact CB-CZ 3.99Å; A307-F312 WeakPolarHBondContact O-CE2 3.22Å; V310-F312 HydrophobicContact CB-CD2 4.33Å; V310-F312 HydrophobicContact CB-CE2 3.72Å; V310-F312 HydrophobicContact CB-CZ 4.4Å; V310-F312 HydrophobicContact CG1-CD2 4.29Å; V310-F312 HydrophobicContact CG1-CE2 3.87Å; V310-F312 HydrophobicContact CG1-CZ 4.29Å; V310-F312 WeakPolarHBondContact O-CD2 3.46Å; V310-F312 WeakPolarHBondContact O-CE2 3.47Å; F312-F376 HydrophobicContact CD1-CZ 4.3Å; F312-F376 AromaticContact CD2-CE1 3.57Å; F312-F376 HydrophobicContact CD2-CE1 3.57Å; F312-F376 AromaticContact CD2-CZ 3.99Å; F312-F376 HydrophobicContact CD2-CZ 3.99Å; F312-F376 HydrophobicContact CE1-CZ 4.15Å; F312-F376 AromaticContact CE2-CE1 3.58Å; F312-F376 HydrophobicContact CE2-CE1 3.58Å; F312-F376 AromaticContact CE2-CZ 3.85Å; F312-F376 HydrophobicContact CE2-CZ 3.85Å; F312-F376 HydrophobicContact CG-CE1 4.15Å; F312-F376 HydrophobicContact CG-CZ 4.23Å; F312-F376 HydrophobicContact CZ-CE1 4.15Å; F312-F376 AromaticContact CZ-CZ 3.94Å; F312-F376 HydrophobicContact CZ-CZ 3.94Å; F312-L382 HydrophobicContact CB-CD2 3.84Å; F312-R383 PolarHBondContact O-N 3.35Å
313Y96Very high90.1Very high31 Ų3133.7 Ų33.712%0.12220%0.195CC..EExtended strand (participates in β ladder)trans-96.8143.1155.1-75.1-104000110.2I187 T191 V202 G203 M204 L205 F315 R383 V388I187-Y313 HydrophobicContact CG2-CD2 3.77Å; I187-Y313 HydrophobicContact CG2-CE2 4.31Å; I187-Y313 HydrophobicContact CG2-CG 4.09Å; T191-Y313 HydrophobicContact CG2-CE2 4Å; V202-Y313 HydrophobicContact CB-CD2 4.41Å; V202-Y313 HydrophobicContact CG2-CD2 3.94Å; V202-Y313 HydrophobicContact CG2-CE2 4.21Å; G203-Y313 PolarHBondContact O-N 3.31Å; M204-Y313 CarbonylContact C-O 3.53Å; M204-Y313 WeakPolarHBondContact CA-O 3.49Å; L205-Y313 PolarHBondContact N-O 3.13Å; Y313-F315 HydrophobicContact CD1-CE1 4.29Å; Y313-F315 HydrophobicContact CD1-CZ 4.24Å; Y313-F315 HydrophobicContact CG-CZ 4.07Å; Y313-R383 CarbonylContact C-O 3.57Å; Y313-R383 VanDerWaalsContact CA-O 3.23Å; Y313-R383 WeakPolarHBondContact CA-O 3.12Å; Y313-R383 HydrophobicContact CD1-CB 3.74Å; Y313-R383 HydrophobicContact CD2-CB 4.42Å; Y313-R383 HydrophobicContact CE1-CB 3.81Å; Y313-R383 HydrophobicContact CE2-CB 4.49Å; Y313-R383 HydrophobicContact CG-CB 4.06Å; Y313-R383 PolarHBondContact OH-NH1 3.39Å; Y313-V388 HydrophobicContact CD1-CG2 4.47Å; Y313-V388 HydrophobicContact CE1-CG2 4.32Å
314A94.4Very high90.8Very high0 Ų034.2 Ų34.20%019%0.19CC..EExtended strand (participates in β ladder)trans-123.6141.2175.400000110.8L205 Y318 L382 R383 L384L205-A314 HydrophobicContact CB-CB 3.89Å; L205-A314 HydrophobicContact CD1-CB 4.29Å; L205-A314 CarbonylContact O-C 3.55Å; L205-A314 VanDerWaalsContact O-CA 3.26Å; L205-A314 WeakPolarHBondContact O-CA 3.41Å; A314-Y318 HydrophobicContact CB-CD2 4.1Å; A314-Y318 HydrophobicContact CB-CG 4.11Å; A314-L382 HydrophobicContact CB-CB 4.46Å; A314-R383 PolarHBondContact N-O 3.4Å; A314-L384 HydrophobicContact CB-CD2 3.61Å; A314-L384 WeakPolarHBondContact O-CD2 3.49Å
315F89.9Confident91.6Very high5 Ų535.4 Ų35.42%0.02220%0.195CC..EExtended strand (participates in β ladder)trans-128.5-179.5-172.9-52.4-59.4000112.8I187 M204 L205 Y313 F317 Y318 A385 A393I187-F315 HydrophobicContact CD1-CE1 3.92Å; I187-F315 HydrophobicContact CD1-CE2 3.56Å; I187-F315 HydrophobicContact CD1-CZ 3.08Å; I187-F315 HydrophobicContact CG1-CE2 3.4Å; I187-F315 HydrophobicContact CG1-CZ 3.36Å; M204-F315 HydrophobicContact CB-CE2 4.49Å; M204-F315 HydrophobicContact CG-CD2 3.93Å; M204-F315 HydrophobicContact CG-CE2 3.63Å; L205-F315 PolarHBondContact O-N 3.47Å; Y313-F315 HydrophobicContact CD1-CE1 4.29Å; Y313-F315 HydrophobicContact CD1-CZ 4.24Å; Y313-F315 HydrophobicContact CG-CZ 4.07Å; F315-F317 PolarHBondContact O-N 3.2Å; F315-Y318 PolarHBondContact O-N 3.29Å; F315-A385 WeakPolarHBondContact CD1-O 3.39Å; F315-A393 HydrophobicContact CD1-CB 3.42Å; F315-A393 VanDerWaalsContact CD1-CB 3.42Å; F315-A393 HydrophobicContact CE1-CB 3.43Å; F315-A393 VanDerWaalsContact CE1-CB 3.43Å; F315-A393 HydrophobicContact CG-CB 4.17Å; F315-A393 HydrophobicContact CZ-CB 4.17Å
316S88.1Confident92.3Very high50 Ų5039.7 Ų39.735%0.3521%0.207SC..EExtended strand (participates in β ladder)trans54.7-124171.5-54.50000111.5D206 L207 Y318 Y319 D320D206-S316 WeakPolarHBondContact OD1-CB 3.5Å; D206-S316 PolarHBondContact OD1-OG 2.88Å; L207-S316 WeakPolarHBondContact O-CB 3.23Å; S316-Y318 PolarHBondContact O-N 3.04Å; S316-Y318 VanDerWaalsContact O-N 3.17Å; S316-Y319 WeakPolarHBondContact O-CA 3.48Å; S316-Y319 VanDerWaalsContact O-CB 3.26Å; S316-Y319 WeakPolarHBondContact O-CB 3.49Å; S316-Y319 PolarHBondContact O-N 2.75Å; S316-D320 PolarHBondContact O-N 2.66Å
317F90.6Very high92.8Very high63 Ų6341.6 Ų41.628%0.27623%0.225SC..Hα-helixtrans-65.5-24.7-171.8-155.8-110.2000113.7L207 F315 R321 D363 I367L207-F317 HydrophobicContact CB-CB 4.01Å; L207-F317 HydrophobicContact CD2-CB 3.94Å; L207-F317 HydrophobicContact CD2-CD1 3.76Å; L207-F317 HydrophobicContact CD2-CG 4.32Å; L207-F317 HydrophobicContact CG-CB 3.74Å; L207-F317 HydrophobicContact CG-CD1 4.28Å; L207-F317 HydrophobicContact CG-CG 4.42Å; L207-F317 WeakPolarHBondContact O-CB 3.32Å; L207-F317 PolarHBondContact O-N 3.23Å; F315-F317 PolarHBondContact O-N 3.2Å; F317-R321 HydrophobicContact CD1-CG 4.12Å; F317-R321 HydrophobicContact CE1-CG 4.07Å; F317-R321 WeakPolarHBondContact O-CG 3.5Å; F317-R321 PolarHBondContact O-N 2.67Å; F317-R321 VanDerWaalsContact O-N 3.12Å; F317-D363 HydrophobicContact CE1-CB 3.77Å; F317-D363 HydrophobicContact CZ-CB 4.1Å; F317-D363 VanDerWaalsContact CZ-CG 3.49Å; F317-D363 WeakPolarHBondContact CZ-OD2 3.49Å; F317-I367 HydrophobicContact CD1-CD1 4.24Å
318Y94.5Very high93.3Very high0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-61.5-46.6169.2-66.8-73.4000110.7L205 L207 A314 F315 S316 A322 Y341 I367 L370 L371L205-Y318 HydrophobicContact CB-CD2 4.29Å; L205-Y318 HydrophobicContact CB-CE2 3.87Å; L207-Y318 HydrophobicContact CB-CD2 3.59Å; L207-Y318 HydrophobicContact CB-CE2 3.39Å; L207-Y318 HydrophobicContact CB-CG 4.38Å; L207-Y318 HydrophobicContact CD2-CE1 4.37Å; L207-Y318 HydrophobicContact CD2-CE2 4.38Å; L207-Y318 HydrophobicContact CG-CE2 4.48Å; A314-Y318 HydrophobicContact CB-CD2 4.1Å; A314-Y318 HydrophobicContact CB-CG 4.11Å; F315-Y318 PolarHBondContact O-N 3.29Å; S316-Y318 PolarHBondContact O-N 3.04Å; S316-Y318 VanDerWaalsContact O-N 3.17Å; Y318-A322 WeakPolarHBondContact O-CB 3.49Å; Y318-A322 PolarHBondContact O-N 3.46Å; Y318-A322 VanDerWaalsContact O-N 3.08Å; Y318-Y341 PolarHBondContact O-OH 3.44Å; Y318-I367 HydrophobicContact CD1-CD1 4.21Å; Y318-I367 HydrophobicContact CD1-CG1 4.19Å; Y318-I367 HydrophobicContact CD1-CG2 3.83Å; Y318-I367 HydrophobicContact CE1-CG1 4.22Å; Y318-I367 HydrophobicContact CE1-CG2 3.85Å; Y318-L370 VanDerWaalsContact OH-CD2 3.23Å; Y318-L370 WeakPolarHBondContact OH-CD2 3.19Å; Y318-L371 HydrophobicContact CE1-CD1 4.2Å; Y318-L371 HydrophobicContact CE1-CD2 3.97Å; Y318-L371 HydrophobicContact CE1-CG 4.1Å
319Y95.1Very high93.7Very high9 Ų945.4 Ų45.44%0.03524%0.241CC..Hα-helixtrans-61.3-50.2178.6-176.9-87.1000111.3S316 R321 A322 V323 I328 D329 E330 L384 R386S316-Y319 WeakPolarHBondContact O-CA 3.48Å; S316-Y319 VanDerWaalsContact O-CB 3.26Å; S316-Y319 WeakPolarHBondContact O-CB 3.49Å; S316-Y319 PolarHBondContact O-N 2.75Å; Y319-R321 PolarHBondContact O-N 3.44Å; Y319-A322 PolarHBondContact O-N 3.44Å; Y319-A322 VanDerWaalsContact O-N 3.11Å; Y319-V323 HydrophobicContact CD1-CG2 4Å; Y319-V323 HydrophobicContact CE1-CG2 3.52Å; Y319-V323 WeakPolarHBondContact O-CG2 3.48Å; Y319-V323 PolarHBondContact O-N 3.02Å; Y319-I328 HydrophobicContact CD2-CD1 3.7Å; Y319-I328 HydrophobicContact CE2-CD1 3.52Å; Y319-I328 HydrophobicContact CG-CD1 4.34Å; Y319-D329 PolarHBondContact OH-O 3.33Å; Y319-E330 WeakPolarHBondContact OH-CA 3.37Å; Y319-E330 PolarHBondContact OH-O 2.77Å; Y319-L384 HydrophobicContact CD2-CB 3.96Å; Y319-R386 HydrophobicContact CE1-CB 4.05Å; Y319-R386 HydrophobicContact CE2-CB 4.18Å
320D93.3Very high93.8Very high75 Ų7545 Ų4540%0.40124%0.235SC..Hα-helixtrans-59-45.8-177.8-62.5-19.7000111.5S316 A322 V323 D324S316-D320 PolarHBondContact O-N 2.66Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.48Å; D320-V323 PolarHBondContact O-N 2.67Å; D320-D324 PolarHBondContact O-N 3.43Å
321R94.8Very high93.7Very high27 Ų2748.7 Ų48.710%0.10227%0.266CS..Hα-helixtrans-65.9-36.3177.4-64.6-57.875.263-2.9112.1F317 Y319 V323 D324 L325 Y341 D363 L364 I367F317-R321 HydrophobicContact CD1-CG 4.12Å; F317-R321 HydrophobicContact CE1-CG 4.07Å; F317-R321 WeakPolarHBondContact O-CG 3.5Å; F317-R321 PolarHBondContact O-N 2.67Å; F317-R321 VanDerWaalsContact O-N 3.12Å; Y319-R321 PolarHBondContact O-N 3.44Å; R321-V323 VanDerWaalsContact C-N 3.32Å; R321-V323 PolarHBondContact O-N 2.86Å; R321-D324 IonicContact CZ-OD2 2.72Å; R321-D324 IonicContact NE-OD2 3.36Å; R321-D324 PolarHBondContact NE-OD2 2.95Å; R321-D324 IonicContact NH2-OD2 3.68Å; R321-D324 PolarHBondContact NH2-OD2 2.59Å; R321-D324 PolarHBondContact O-N 3.01Å; R321-L325 WeakPolarHBondContact O-CG 3.49Å; R321-L325 PolarHBondContact O-N 3.08Å; R321-Y341 HydrophobicContact CB-CE1 4.26Å; R321-D363 HydrophobicContact CG-CB 4.3Å; R321-L364 HydrophobicContact CB-CD2 4.07Å; R321-I367 HydrophobicContact CB-CD1 3.88Å; R321-I367 HydrophobicContact CG-CD1 3.58Å
322A96.4Very high93.4Very high0 Ų048.6 Ų48.60%028%0.278CS..Hα-helixtrans-67.1-33.317600000112.9Y318 Y319 D320 L325 Q326 A327 I328 I336 L384Y318-A322 WeakPolarHBondContact O-CB 3.49Å; Y318-A322 PolarHBondContact O-N 3.46Å; Y318-A322 VanDerWaalsContact O-N 3.08Å; Y319-A322 PolarHBondContact O-N 3.44Å; Y319-A322 VanDerWaalsContact O-N 3.11Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.48Å; A322-L325 PolarHBondContact O-N 3.11Å; A322-Q326 PolarHBondContact O-N 3.26Å; A322-A327 PolarHBondContact O-N 3.13Å; A322-I328 HydrophobicContact CB-CD1 3.77Å; A322-I328 HydrophobicContact CB-CG1 3.81Å; A322-I328 HydrophobicContact CB-CG2 4.49Å; A322-I336 HydrophobicContact CB-CD1 4.07Å; A322-L384 HydrophobicContact CB-CD1 3.33Å
323V95.3Very high93.4Very high27 Ų2749 Ų4916%0.16428%0.282CS..Hα-helixtrans-67-45.8171.8171.80000110.8Y319 D320 R321 L325 Q326 I328 E330Y319-V323 HydrophobicContact CD1-CG2 4Å; Y319-V323 HydrophobicContact CE1-CG2 3.52Å; Y319-V323 WeakPolarHBondContact O-CG2 3.48Å; Y319-V323 PolarHBondContact O-N 3.02Å; D320-V323 PolarHBondContact O-N 2.67Å; R321-V323 VanDerWaalsContact C-N 3.32Å; R321-V323 PolarHBondContact O-N 2.86Å; V323-L325 PolarHBondContact O-N 3.12Å; V323-Q326 WeakPolarHBondContact O-CA 3.39Å; V323-Q326 PolarHBondContact O-N 3.24Å; V323-I328 HydrophobicContact CG2-CD1 3.99Å; V323-I328 HydrophobicContact CG2-CG1 3.91Å; V323-E330 HydrophobicContact CG1-CB 3.94Å; V323-E330 HydrophobicContact CG1-CG 3.99Å; V323-E330 HydrophobicContact CG2-CB 4.29Å; V323-E330 HydrophobicContact CG2-CG 4.38Å
324D92.4Very high93.4Very high69 Ų6948.9 Ų48.937%0.36929%0.291SS..Hα-helixtrans-58-34.4176.7-67.4-20.1000111.9D320 R321 Q326 L360D320-D324 PolarHBondContact O-N 3.43Å; R321-D324 IonicContact CZ-OD2 2.72Å; R321-D324 IonicContact NE-OD2 3.36Å; R321-D324 PolarHBondContact NE-OD2 2.95Å; R321-D324 IonicContact NH2-OD2 3.68Å; R321-D324 PolarHBondContact NH2-OD2 2.59Å; R321-D324 PolarHBondContact O-N 3.01Å; D324-Q326 PolarHBondContact O-N 3.49Å; D324-L360 HydrophobicContact CB-CD1 4.37Å
325L93.2Very high93.5Very high34 Ų3452.1 Ų52.118%0.17831%0.311CS..THydrogen-bonded Turntrans-76.3-5.6175.3-67.5-178.1000114.3R321 A322 V323 A327 Y341 A344 L364R321-L325 WeakPolarHBondContact O-CG 3.49Å; R321-L325 PolarHBondContact O-N 3.08Å; A322-L325 PolarHBondContact O-N 3.11Å; V323-L325 PolarHBondContact O-N 3.12Å; L325-A327 HydrophobicContact CB-CB 4.15Å; L325-A327 PolarHBondContact O-N 3.1Å; L325-A327 VanDerWaalsContact O-N 3.13Å; L325-Y341 HydrophobicContact CD1-CD1 4.28Å; L325-A344 HydrophobicContact CD1-CB 3.47Å; L325-A344 VanDerWaalsContact CD1-CB 3.47Å; L325-A344 HydrophobicContact CD2-CB 3.57Å; L325-A344 HydrophobicContact CG-CB 4.14Å; L325-L364 HydrophobicContact CD1-CD2 3.75Å; L325-L364 HydrophobicContact CD2-CD1 3.8Å; L325-L364 HydrophobicContact CD2-CD2 4.29Å; L325-L364 HydrophobicContact CG-CD2 4.14Å
326Q94.6Very high93.9Very high177 Ų17752 Ų5283%0.82731%0.31SS*.THydrogen-bonded Turntrans52.727.7-169.5-56.6178.4-11.400112.5A322 V323 D324 I328A322-Q326 PolarHBondContact O-N 3.26Å; V323-Q326 WeakPolarHBondContact O-CA 3.39Å; V323-Q326 PolarHBondContact O-N 3.24Å; D324-Q326 PolarHBondContact O-N 3.49Å; Q326-I328 VanDerWaalsContact C-N 3.33Å
327A95.3Very high94.3Very high49 Ų4955.1 Ų55.141%0.40531%0.314SS..SBendtrans-80-22.1179.500000111.7A322 L325 I336A322-A327 PolarHBondContact O-N 3.13Å; L325-A327 HydrophobicContact CB-CB 4.15Å; L325-A327 PolarHBondContact O-N 3.1Å; L325-A327 VanDerWaalsContact O-N 3.13Å; A327-I336 HydrophobicContact CB-CD1 3.78Å; A327-I336 HydrophobicContact CB-CG1 4.35Å
328I96.4Very high94.6Very high18 Ų1852.3 Ų52.39%0.09230%0.302CS..SBendtrans-136.9163.6176.963.8168.9000110.2Y319 A322 V323 Q326 L384Y319-I328 HydrophobicContact CD2-CD1 3.7Å; Y319-I328 HydrophobicContact CE2-CD1 3.52Å; Y319-I328 HydrophobicContact CG-CD1 4.34Å; A322-I328 HydrophobicContact CB-CD1 3.77Å; A322-I328 HydrophobicContact CB-CG1 3.81Å; A322-I328 HydrophobicContact CB-CG2 4.49Å; V323-I328 HydrophobicContact CG2-CD1 3.99Å; V323-I328 HydrophobicContact CG2-CG1 3.91Å; Q326-I328 VanDerWaalsContact C-N 3.33Å; I328-L384 HydrophobicContact CD1-CB 3.69Å; I328-L384 HydrophobicContact CD1-CD1 3.89Å; I328-L384 HydrophobicContact CD1-CG 4.45Å; I328-L384 HydrophobicContact CG2-CD1 4.11Å
329D95.2Very high94.8Very high90 Ų9053.7 Ų53.748%0.48131%0.312SS..BIsolated β-bridgetrans-81.8137.1173.3-177.3-92.2000110.9Y319 A331 A332 G333Y319-D329 PolarHBondContact OH-O 3.33Å; D329-A331 VanDerWaalsContact C-N 3.29Å; D329-A331 PolarHBondContact O-N 3.26Å; D329-A331 WeakPolarHBondContact OD1-CA 3.18Å; D329-A331 WeakPolarHBondContact OD1-CB 3.29Å; D329-A331 PolarHBondContact OD1-N 3.22Å; D329-A332 HydrophobicContact CB-CB 4.15Å; D329-A332 PolarHBondContact OD1-N 3.22Å; D329-G333 PolarHBondContact N-O 2.88Å; D329-G333 WeakPolarHBondContact O-CA 3.45Å; D329-G333 PolarHBondContact O-N 2.7Å
330E92.6Very high94.9Very high122 Ų12255 Ų5557%0.5732%0.32SS*.THydrogen-bonded Turntrans-68.6-24.6-178.2-169.5-174.117000113.3Y319 V323Y319-E330 WeakPolarHBondContact OH-CA 3.37Å; Y319-E330 PolarHBondContact OH-O 2.77Å; V323-E330 HydrophobicContact CG1-CB 3.94Å; V323-E330 HydrophobicContact CG1-CG 3.99Å; V323-E330 HydrophobicContact CG2-CB 4.29Å; V323-E330 HydrophobicContact CG2-CG 4.38Å
331A89.1Confident95.1Very high88 Ų8851.5 Ų51.573%0.72730%0.301SS*.THydrogen-bonded Turntrans-94.2-45.217900000111.7D329D329-A331 VanDerWaalsContact C-N 3.29Å; D329-A331 PolarHBondContact O-N 3.26Å; D329-A331 WeakPolarHBondContact OD1-CA 3.18Å; D329-A331 WeakPolarHBondContact OD1-CB 3.29Å; D329-A331 PolarHBondContact OD1-N 3.22Å
332A89.6Confident95.2Very high85 Ų8550.7 Ų50.770%0.70230%0.301SS*.THydrogen-bonded Turntrans-89.5-20.2-174.100000113.6D329D329-A332 HydrophobicContact CB-CB 4.15Å; D329-A332 PolarHBondContact OD1-N 3.22Å
333G94.4Very high95.2Very high10 Ų1055.5 Ų55.510%0.10332%0.323CS..BIsolated β-bridgetrans72-156-168.800000112.2D329 L384D329-G333 PolarHBondContact N-O 2.88Å; D329-G333 WeakPolarHBondContact O-CA 3.45Å; D329-G333 PolarHBondContact O-N 2.7Å; G333-L384 CarbonylContact C-O 3.43Å; G333-L384 VanDerWaalsContact CA-O 3.29Å; G333-L384 WeakPolarHBondContact CA-O 3.41Å
334G96.2Very high95.3Very high29 Ų2954.3 Ų54.330%0.29932%0.316SS..EExtended strand (participates in β ladder)trans170.6-157.7-179.800000113.6L384G334-L384 PolarHBondContact N-O 2.89Å; G334-L384 PolarHBondContact O-N 2.99Å
335T97.3Very high95.5Very high68 Ų6851 Ų5142%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-127.4136.7177.9-59.20000108.7Q381 L382T335-Q381 HydrophobicContact CG2-CB 3.59Å; T335-Q381 HydrophobicContact CG2-CG 3.88Å; T335-L382 WeakPolarHBondContact CA-O 3.47Å
336I97.6Very high95.7Very high3 Ų352.8 Ų52.82%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-125.5148.2174.9-163.7167.3000109.9A322 A327 D340 Y341 Q381 L382 L384A322-I336 HydrophobicContact CB-CD1 4.07Å; A327-I336 HydrophobicContact CB-CD1 3.78Å; A327-I336 HydrophobicContact CB-CG1 4.35Å; I336-D340 HydrophobicContact CD1-CB 4.2Å; I336-D340 HydrophobicContact CG1-CB 3.75Å; I336-Y341 HydrophobicContact CD1-CD1 4.29Å; I336-Y341 HydrophobicContact CD1-CD2 4.2Å; I336-Y341 HydrophobicContact CD1-CE1 4.02Å; I336-Y341 HydrophobicContact CD1-CE2 3.95Å; I336-Y341 HydrophobicContact CD1-CG 4.37Å; I336-Y341 HydrophobicContact CG1-CE2 4.4Å; I336-Y341 HydrophobicContact CG2-CD2 4.36Å; I336-Y341 HydrophobicContact CG2-CE2 3.54Å; I336-Q381 WeakPolarHBondContact O-CA 3.22Å; I336-L382 HydrophobicContact CG2-CB 4.26Å; I336-L382 PolarHBondContact N-O 2.9Å; I336-L382 PolarHBondContact O-N 2.85Å; I336-L384 HydrophobicContact CB-CD1 3.89Å; I336-L384 HydrophobicContact CG2-CD1 3.36Å; I336-L384 HydrophobicContact CG2-CG 4.16Å
337R97.6Very high95.7Very high115 Ų11551.6 Ų51.643%0.43429%0.294SS..EExtended strand (participates in β ladder)trans-87.7150.4169.1-59173.1-65.2-168.23.9110.6S339 D340 K380 Q381R337-S339 PolarHBondContact O-N 2.97Å; R337-D340 VanDerWaalsContact CB-OD2 3.24Å; R337-D340 WeakPolarHBondContact CB-OD2 3.49Å; R337-D340 IonicContact CZ-OD1 2.72Å; R337-D340 PolarHBondContact N-OD2 2.86Å; R337-D340 IonicContact NE-OD1 3.73Å; R337-D340 PolarHBondContact NE-OD1 3.3Å; R337-D340 IonicContact NE-OD2 2.6Å; R337-D340 PolarHBondContact NE-OD2 3.14Å; R337-D340 IonicContact NH2-OD1 2.89Å; R337-D340 PolarHBondContact NH2-OD1 3.09Å; R337-D340 IonicContact NH2-OD2 3Å; R337-D340 WeakPolarHBondContact O-CB 3.14Å; R337-D340 PolarHBondContact O-N 2.88Å; R337-K380 CarbonylContact C-O 3.52Å; R337-K380 VanDerWaalsContact CA-O 3.25Å; R337-K380 WeakPolarHBondContact CA-O 3.35Å; R337-Q381 HydrophobicContact CG-CG 3.92Å
338V96.6Very high95.7Very high3 Ų351.2 Ų51.22%0.01829%0.286CS..Hα-helixtrans-54.1-38.9172.5174.20000111.3D340 Y341 L371 F376 K380 L382V338-D340 VanDerWaalsContact C-N 3.27Å; V338-D340 PolarHBondContact O-N 3.48Å; V338-Y341 PolarHBondContact O-N 2.94Å; V338-L371 HydrophobicContact CG1-CB 3.94Å; V338-L371 HydrophobicContact CG1-CD1 4.33Å; V338-L371 HydrophobicContact CG2-CD1 4.32Å; V338-F376 HydrophobicContact CG2-CB 3.97Å; V338-K380 HydrophobicContact CG2-CB 3.88Å; V338-K380 HydrophobicContact CG2-CG 4.5Å; V338-K380 PolarHBondContact N-O 2.63Å; V338-L382 HydrophobicContact CG2-CD1 4.33Å; V338-L382 HydrophobicContact CG2-CG 4.39Å
339S97.2Very high95.6Very high29 Ų2950.8 Ų50.820%0.20329%0.285CS..Hα-helixtrans-64.7-26.9176.562.40000114.3R337 G342 Q343 S378R337-S339 PolarHBondContact O-N 2.97Å; S339-G342 PolarHBondContact O-N 3Å; S339-Q343 VanDerWaalsContact O-CG 3.31Å; S339-Q343 WeakPolarHBondContact O-CG 3.19Å; S339-Q343 PolarHBondContact O-N 3.27Å; S339-S378 WeakPolarHBondContact CB-O 3.41Å; S339-S378 PolarHBondContact N-O 3.05Å; S339-S378 PolarHBondContact OG-O 3.33Å
340D97.9Very high95.5Very high38 Ų3853.3 Ų53.320%0.20329%0.288CS..Hα-helixtrans-70.3-34.9-176.7-57.4-32.1000110.5I336 R337 V338 A344I336-D340 HydrophobicContact CD1-CB 4.2Å; I336-D340 HydrophobicContact CG1-CB 3.75Å; R337-D340 VanDerWaalsContact CB-OD2 3.24Å; R337-D340 WeakPolarHBondContact CB-OD2 3.49Å; R337-D340 IonicContact CZ-OD1 2.72Å; R337-D340 PolarHBondContact N-OD2 2.86Å; R337-D340 IonicContact NE-OD1 3.73Å; R337-D340 PolarHBondContact NE-OD1 3.3Å; R337-D340 IonicContact NE-OD2 2.6Å; R337-D340 PolarHBondContact NE-OD2 3.14Å; R337-D340 IonicContact NH2-OD1 2.89Å; R337-D340 PolarHBondContact NH2-OD1 3.09Å; R337-D340 IonicContact NH2-OD2 3Å; R337-D340 WeakPolarHBondContact O-CB 3.14Å; R337-D340 PolarHBondContact O-N 2.88Å; V338-D340 VanDerWaalsContact C-N 3.27Å; V338-D340 PolarHBondContact O-N 3.48Å; D340-A344 WeakPolarHBondContact O-CB 3.46Å; D340-A344 PolarHBondContact O-N 3.03Å
341Y97.6Very high95.4Very high0 Ų049.1 Ų49.10%028%0.277CS..Hα-helixtrans-61.6-46.3170.1-74.7-68.5000112.1Y318 R321 L325 I336 V338 A344 A345 L364 I367 L371Y318-Y341 PolarHBondContact O-OH 3.44Å; R321-Y341 HydrophobicContact CB-CE1 4.26Å; L325-Y341 HydrophobicContact CD1-CD1 4.28Å; I336-Y341 HydrophobicContact CD1-CD1 4.29Å; I336-Y341 HydrophobicContact CD1-CD2 4.2Å; I336-Y341 HydrophobicContact CD1-CE1 4.02Å; I336-Y341 HydrophobicContact CD1-CE2 3.95Å; I336-Y341 HydrophobicContact CD1-CG 4.37Å; I336-Y341 HydrophobicContact CG1-CE2 4.4Å; I336-Y341 HydrophobicContact CG2-CD2 4.36Å; I336-Y341 HydrophobicContact CG2-CE2 3.54Å; V338-Y341 PolarHBondContact O-N 2.94Å; Y341-A344 PolarHBondContact O-N 3.42Å; Y341-A345 WeakPolarHBondContact O-CB 3.46Å; Y341-A345 PolarHBondContact O-N 2.99Å; Y341-L364 HydrophobicContact CD1-CD2 4.03Å; Y341-I367 HydrophobicContact CD1-CG2 3.69Å; Y341-I367 HydrophobicContact CD2-CG2 3.83Å; Y341-I367 HydrophobicContact CE1-CD1 4.3Å; Y341-I367 HydrophobicContact CE1-CG2 3.97Å; Y341-I367 HydrophobicContact CE2-CG2 4.08Å; Y341-I367 HydrophobicContact CG-CG2 3.61Å; Y341-L371 HydrophobicContact CD2-CD1 3.91Å; Y341-L371 HydrophobicContact CE2-CD1 4.21Å
342G96.7Very high95.3Very high10 Ų1050.5 Ų50.510%0.10328%0.279CS..Hα-helixtrans-64.8-43.7-179.900000112.9S339 A344 A345 E346 S368S339-G342 PolarHBondContact O-N 3Å; G342-A344 VanDerWaalsContact C-N 3.31Å; G342-A344 PolarHBondContact O-N 3.5Å; G342-A345 WeakPolarHBondContact O-CB 3.49Å; G342-A345 PolarHBondContact O-N 3.5Å; G342-E346 PolarHBondContact O-N 2.88Å; G342-S368 WeakPolarHBondContact CA-OG 3.35Å
343Q97.5Very high94.9Very high102 Ų10250.3 Ų50.348%0.47727%0.27SS..Hα-helixtrans-64.5-37.6175.5-70.717330.700112S339 R347S339-Q343 VanDerWaalsContact O-CG 3.31Å; S339-Q343 WeakPolarHBondContact O-CG 3.19Å; S339-Q343 PolarHBondContact O-N 3.27Å; Q343-R347 WeakPolarHBondContact O-CB 3.35Å; Q343-R347 PolarHBondContact O-N 3.27Å; Q343-R347 VanDerWaalsContact O-N 3.11Å
344A97Very high94.3Very high1 Ų153 Ų531%0.00828%0.282CS..Hα-helixtrans-67.6-41.2174.900000112L325 D340 Y341 G342 E346 R347 V348 L364L325-A344 HydrophobicContact CD1-CB 3.47Å; L325-A344 VanDerWaalsContact CD1-CB 3.47Å; L325-A344 HydrophobicContact CD2-CB 3.57Å; L325-A344 HydrophobicContact CG-CB 4.14Å; D340-A344 WeakPolarHBondContact O-CB 3.46Å; D340-A344 PolarHBondContact O-N 3.03Å; Y341-A344 PolarHBondContact O-N 3.42Å; G342-A344 VanDerWaalsContact C-N 3.31Å; G342-A344 PolarHBondContact O-N 3.5Å; A344-E346 PolarHBondContact O-N 3.34Å; A344-R347 PolarHBondContact O-N 3.24Å; A344-V348 WeakPolarHBondContact O-CB 3.49Å; A344-V348 VanDerWaalsContact O-CG2 3.3Å; A344-V348 WeakPolarHBondContact O-CG2 3.48Å; A344-V348 PolarHBondContact O-N 2.92Å; A344-L364 HydrophobicContact CB-CD1 4.17Å
345A96.7Very high93.5Very high0 Ų058.2 Ų58.20%030%0.303CS..Hα-helixtrans-56.3-49.9174.700000111.2Y286 Y341 G342 R347 V348 C349 L364 V365Y286-A345 HydrophobicContact CE2-CB 3.98Å; Y341-A345 WeakPolarHBondContact O-CB 3.46Å; Y341-A345 PolarHBondContact O-N 2.99Å; G342-A345 WeakPolarHBondContact O-CB 3.49Å; G342-A345 PolarHBondContact O-N 3.5Å; A345-R347 VanDerWaalsContact C-N 3.34Å; A345-R347 PolarHBondContact O-N 3.48Å; A345-V348 PolarHBondContact O-N 2.98Å; A345-C349 VanDerWaalsContact O-CB 3.23Å; A345-C349 WeakPolarHBondContact O-CB 3.31Å; A345-C349 PolarHBondContact O-N 3.23Å; A345-C349 PolarHBondContact O-SG 2.75Å; A345-L364 HydrophobicContact CB-CB 3.67Å; A345-V365 HydrophobicContact CB-CG2 3.9Å
346E96.3Very high92.7Very high71 Ų7163.2 Ų63.233%0.33232%0.321SS..Hα-helixtrans-60.4-43.3178.4-171.1174.3-162.600111.9Y286 G342 A344 R350Y286-E346 HydrophobicContact CD1-CB 4.45Å; Y286-E346 HydrophobicContact CD1-CG 4.11Å; Y286-E346 HydrophobicContact CD2-CB 4.31Å; Y286-E346 HydrophobicContact CE1-CB 4.19Å; Y286-E346 HydrophobicContact CE1-CG 4.07Å; Y286-E346 HydrophobicContact CE2-CB 4.05Å; Y286-E346 HydrophobicContact CG-CG 4.44Å; G342-E346 PolarHBondContact O-N 2.88Å; A344-E346 PolarHBondContact O-N 3.34Å; E346-R350 VanDerWaalsContact O-CB 3.31Å; E346-R350 WeakPolarHBondContact O-CB 3.13Å; E346-R350 VanDerWaalsContact O-CG 3.29Å; E346-R350 WeakPolarHBondContact O-CG 3.33Å; E346-R350 PolarHBondContact O-N 3.14Å; E346-R350 VanDerWaalsContact O-N 3.15Å; E346-R350 IonicContact OE1-CZ 3Å; E346-R350 IonicContact OE1-NH1 2.64Å; E346-R350 PolarHBondContact OE1-NH1 3.32Å; E346-R350 IonicContact OE1-NH2 2.85Å; E346-R350 PolarHBondContact OE1-NH2 3.21Å
347R95.9Very high92.1Very high152 Ų15266.5 Ų66.557%0.57434%0.338SS*.Hα-helixtrans-64.5-47.1177.8-169.1-164-44.3129.39.2112.5Q343 A344 A345 G351Q343-R347 WeakPolarHBondContact O-CB 3.35Å; Q343-R347 PolarHBondContact O-N 3.27Å; Q343-R347 VanDerWaalsContact O-N 3.11Å; A344-R347 PolarHBondContact O-N 3.24Å; A345-R347 VanDerWaalsContact C-N 3.34Å; A345-R347 PolarHBondContact O-N 3.48Å; R347-G351 PolarHBondContact O-N 2.79Å
348V94.3Very high91.5Very high41 Ų4162.5 Ų62.525%0.24833%0.328CS..Hα-helixtrans-68.4-47-177.6169.50000110.4A344 A345 R350 G351 L360 C361 L364A344-V348 WeakPolarHBondContact O-CB 3.49Å; A344-V348 VanDerWaalsContact O-CG2 3.3Å; A344-V348 WeakPolarHBondContact O-CG2 3.48Å; A344-V348 PolarHBondContact O-N 2.92Å; A345-V348 PolarHBondContact O-N 2.98Å; V348-R350 VanDerWaalsContact C-N 3.29Å; V348-R350 PolarHBondContact O-N 3.32Å; V348-G351 PolarHBondContact O-N 3.04Å; V348-L360 HydrophobicContact CG1-CB 4.25Å; V348-L360 HydrophobicContact CG1-CD2 4.17Å; V348-L360 HydrophobicContact CG1-CG 4.07Å; V348-L360 HydrophobicContact CG2-CD2 4.25Å; V348-C361 HydrophobicContact CG1-CB 4.2Å; V348-L364 HydrophobicContact CB-CD1 4.16Å; V348-L364 HydrophobicContact CG2-CD1 3.81Å
349C93.6Very high91.2Very high10 Ų1064.9 Ų64.97%0.06834%0.338CS..Hα-helixtrans-67.7-27-178.4-64.20000113.5V285 Y286 A345 C361V285-C349 HydrophobicContact CG1-CB 4.44Å; Y286-C349 HydrophobicContact CD2-CB 3.95Å; Y286-C349 HydrophobicContact CG-CB 4.27Å; A345-C349 VanDerWaalsContact O-CB 3.23Å; A345-C349 WeakPolarHBondContact O-CB 3.31Å; A345-C349 PolarHBondContact O-N 3.23Å; A345-C349 PolarHBondContact O-SG 2.75Å; C349-C361 HydrophobicContact CB-CB 4.06Å; C349-C361 WeakPolarHBondContact CB-SG 3.4Å; C349-C361 WeakPolarHBondContact SG-CA 3.48Å; C349-C361 WeakPolarHBondContact SG-CB 3.48Å; C349-C361 CovalentContact SG-SG 2.03Å; C349-C361 PolarHBondContact SG-SG 3.32Å
350R93.5Very high90.9Very high143 Ų14364.3 Ų64.354%0.5433%0.333SS..Hα-helixtrans-92.5-11.3175.4-66.8-178.2177.4157.89.4113.7E287 E346 V348E287-R350 IonicContact OE1-CZ 3.67Å; E287-R350 IonicContact OE1-NE 3.78Å; E287-R350 IonicContact OE1-NH2 2.77Å; E287-R350 PolarHBondContact OE1-NH2 3.04Å; E346-R350 VanDerWaalsContact O-CB 3.31Å; E346-R350 WeakPolarHBondContact O-CB 3.13Å; E346-R350 VanDerWaalsContact O-CG 3.29Å; E346-R350 WeakPolarHBondContact O-CG 3.33Å; E346-R350 PolarHBondContact O-N 3.14Å; E346-R350 VanDerWaalsContact O-N 3.15Å; E346-R350 IonicContact OE1-CZ 3Å; E346-R350 IonicContact OE1-NH1 2.64Å; E346-R350 PolarHBondContact OE1-NH1 3.32Å; E346-R350 IonicContact OE1-NH2 2.85Å; E346-R350 PolarHBondContact OE1-NH2 3.21Å; V348-R350 VanDerWaalsContact C-N 3.29Å; V348-R350 PolarHBondContact O-N 3.32Å
351G90.3Very high90.7Very high33 Ų3363 Ų6334%0.3433%0.326SS..SBendtrans-78.3179178.300000113R347 V348R347-G351 PolarHBondContact O-N 2.79Å; V348-G351 PolarHBondContact O-N 3.04Å
352P86.8Confident90.5Very high118 Ų11865.5 Ų65.577%0.76634%0.339SS*.  trans-61.9147.2170.628.1-34000110.5D354P352-D354 PolarHBondContact O-N 3.48Å
353P82Confident90.4Very high81 Ų8166.6 Ų66.653%0.52634%0.343SS..  trans-63.8127.2-179.1-1831000111.3A260 L355A260-P353 HydrophobicContact CB-CB 3.8Å; A260-P353 HydrophobicContact CB-CG 3.47Å; A260-P353 VanDerWaalsContact CB-CG 3.47Å; P353-L355 PolarHBondContact O-N 2.7Å
354D82.2Confident90.3Very high66 Ų6661.7 Ų61.735%0.35332%0.32SS..  trans-81.6109.4168.6-176-3.9000109.3P352 Q356 N357 P358P352-D354 PolarHBondContact O-N 3.48Å; D354-Q356 VanDerWaalsContact C-N 3.3Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.29Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.31Å; D354-Q356 PolarHBondContact OD1-N 3.26Å; D354-N357 CarbonylContact O-C 3.3Å; D354-N357 VanDerWaalsContact O-C 3.3Å; D354-N357 PolarHBondContact OD1-N 3.28Å; D354-N357 PolarHBondContact OD2-ND2 3.5Å; D354-P358 VanDerWaalsContact O-CA 3.23Å; D354-P358 WeakPolarHBondContact O-CA 3.38Å; D354-P358 VanDerWaalsContact O-N 3.17Å
355L79.1Confident90.3Very high139 Ų13961.7 Ų61.773%0.72832%0.32SS*.SBendtrans-75-19.2179-62.3178.2000113P353P353-L355 PolarHBondContact O-N 2.7Å
356Q81.3Confident90.2Very high173 Ų17364.4 Ų64.481%0.80833%0.33SS*.SBendtrans-79.1-38175.3-62.2-174.85.100110.7D354 P358D354-Q356 VanDerWaalsContact C-N 3.3Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.29Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.31Å; D354-Q356 PolarHBondContact OD1-N 3.26Å; Q356-P358 VanDerWaalsContact C-CD 3.45Å; Q356-P358 WeakPolarHBondContact O-CD 3.42Å
357N84Confident90.1Very high71 Ų7161 Ų6138%0.3831%0.314SS..SBendtrans-124.967.3178.5-55-61.7000111.7D354 F359 L360D354-N357 CarbonylContact O-C 3.3Å; D354-N357 VanDerWaalsContact O-C 3.3Å; D354-N357 PolarHBondContact OD1-N 3.28Å; D354-N357 PolarHBondContact OD2-ND2 3.5Å; N357-F359 PolarHBondContact O-N 3.21Å; N357-L360 HydrophobicContact CB-CB 4.1Å; N357-L360 WeakPolarHBondContact O-CB 3.46Å; N357-L360 PolarHBondContact O-N 2.91Å
358P85.9Confident90Very high32 Ų3253.9 Ų53.921%0.20829%0.288CS..THydrogen-bonded Turntrans-63.5-20.2-173.125.3-34.7000113.7L259 F263 D354 Q356L259-P358 HydrophobicContact CD2-CB 4.43Å; L259-P358 WeakPolarHBondContact CD2-O 3.43Å; F263-P358 HydrophobicContact CD2-CB 3.95Å; F263-P358 HydrophobicContact CE2-CB 3.28Å; F263-P358 HydrophobicContact CE2-CG 3.81Å; F263-P358 HydrophobicContact CZ-CB 3.69Å; F263-P358 HydrophobicContact CZ-CG 3.94Å; D354-P358 VanDerWaalsContact O-CA 3.23Å; D354-P358 WeakPolarHBondContact O-CA 3.38Å; D354-P358 VanDerWaalsContact O-N 3.17Å; Q356-P358 VanDerWaalsContact C-CD 3.45Å; Q356-P358 WeakPolarHBondContact O-CD 3.42Å
359F90.3Very high90Very high53 Ų5351.9 Ų51.923%0.23228%0.276CS..THydrogen-bonded Turntrans-92.6-3.6-179.9-57.3-72.6000114.1L259 W267 L276 N357 C361 L362 D363L259-F359 HydrophobicContact CD1-CE1 4.14Å; L259-F359 HydrophobicContact CD2-CD1 3.91Å; L259-F359 HydrophobicContact CD2-CE1 4Å; W267-F359 HydrophobicContact CB-CZ 4.26Å; W267-F359 HydrophobicContact CG-CZ 4.4Å; L276-F359 HydrophobicContact CD1-CE1 3.64Å; L276-F359 HydrophobicContact CD1-CZ 3.75Å; N357-F359 PolarHBondContact O-N 3.21Å; F359-C361 PolarHBondContact O-N 3.5Å; F359-C361 VanDerWaalsContact O-N 3.14Å; F359-L362 HydrophobicContact CD1-CD2 4.45Å; F359-L362 WeakPolarHBondContact O-CA 3.49Å; F359-L362 WeakPolarHBondContact O-CB 3.47Å; F359-L362 PolarHBondContact O-N 3.02Å; F359-D363 VanDerWaalsContact O-CG 3.28Å; F359-D363 PolarHBondContact O-N 3.37Å
360L91.2Very high89.8Confident17 Ų1751.4 Ų51.49%0.08927%0.273CS..Hα-helixtrans-58.2-36.1-174.4-175.461.2000112.7D324 V348 N357 D363 L364D324-L360 HydrophobicContact CB-CD1 4.37Å; V348-L360 HydrophobicContact CG1-CB 4.25Å; V348-L360 HydrophobicContact CG1-CD2 4.17Å; V348-L360 HydrophobicContact CG1-CG 4.07Å; V348-L360 HydrophobicContact CG2-CD2 4.25Å; N357-L360 HydrophobicContact CB-CB 4.1Å; N357-L360 WeakPolarHBondContact O-CB 3.46Å; N357-L360 PolarHBondContact O-N 2.91Å; L360-D363 PolarHBondContact O-N 3.39Å; L360-L364 HydrophobicContact CD1-CD1 3.99Å; L360-L364 HydrophobicContact CD1-CG 4Å; L360-L364 HydrophobicContact CG-CD1 3.91Å; L360-L364 HydrophobicContact CG-CG 4.34Å; L360-L364 WeakPolarHBondContact O-CB 3.41Å; L360-L364 WeakPolarHBondContact O-CG 3.2Å; L360-L364 PolarHBondContact O-N 3.43Å
361C93.1Very high89.8Confident11 Ų1144.6 Ų44.67%0.07425%0.247CC..Hα-helixtrans-59-51.5172.11680000111.7V348 C349 F359 D363 V365V348-C361 HydrophobicContact CG1-CB 4.2Å; C349-C361 HydrophobicContact CB-CB 4.06Å; C349-C361 WeakPolarHBondContact CB-SG 3.4Å; C349-C361 WeakPolarHBondContact SG-CA 3.48Å; C349-C361 WeakPolarHBondContact SG-CB 3.48Å; C349-C361 CovalentContact SG-SG 2.03Å; C349-C361 PolarHBondContact SG-SG 3.32Å; F359-C361 PolarHBondContact O-N 3.5Å; F359-C361 VanDerWaalsContact O-N 3.14Å; C361-D363 VanDerWaalsContact C-N 3.33Å; C361-D363 PolarHBondContact O-N 3.09Å; C361-V365 WeakPolarHBondContact O-CB 3.23Å; C361-V365 VanDerWaalsContact O-CG2 3.22Å; C361-V365 WeakPolarHBondContact O-CG2 3.35Å; C361-V365 PolarHBondContact O-N 3.1Å
362L93.1Very high89.8Confident52 Ų5248 Ų4827%0.27225%0.254SS..Hα-helixtrans-57.6-47.1177.3171.361.1000111.1C258 V293 F359 L364 V365 Y366C258-L362 HydrophobicContact CB-CB 3.71Å; C258-L362 HydrophobicContact CB-CD1 4.03Å; C258-L362 HydrophobicContact CB-CG 4.36Å; C258-L362 VanDerWaalsContact SG-CD1 3.5Å; V293-L362 HydrophobicContact CG2-CD1 3.96Å; F359-L362 HydrophobicContact CD1-CD2 4.45Å; F359-L362 WeakPolarHBondContact O-CA 3.49Å; F359-L362 WeakPolarHBondContact O-CB 3.47Å; F359-L362 PolarHBondContact O-N 3.02Å; L362-L364 PolarHBondContact O-N 3.05Å; L362-V365 PolarHBondContact O-N 3.21Å; L362-Y366 VanDerWaalsContact O-CB 3.26Å; L362-Y366 WeakPolarHBondContact O-CB 3.37Å; L362-Y366 PolarHBondContact O-N 3.3Å
363D94.1Very high89.7Confident32 Ų3245.7 Ų45.717%0.17123%0.233CC..Hα-helixtrans-63.3-45.7-174.5-64.4-21.2000111.9F317 R321 F359 L360 C361 Y366 I367F317-D363 HydrophobicContact CE1-CB 3.77Å; F317-D363 HydrophobicContact CZ-CB 4.1Å; F317-D363 VanDerWaalsContact CZ-CG 3.49Å; F317-D363 WeakPolarHBondContact CZ-OD2 3.49Å; R321-D363 HydrophobicContact CG-CB 4.3Å; F359-D363 VanDerWaalsContact O-CG 3.28Å; F359-D363 PolarHBondContact O-N 3.37Å; L360-D363 PolarHBondContact O-N 3.39Å; C361-D363 VanDerWaalsContact C-N 3.33Å; C361-D363 PolarHBondContact O-N 3.09Å; D363-Y366 PolarHBondContact O-N 3.01Å; D363-I367 WeakPolarHBondContact O-CG1 3.42Å; D363-I367 PolarHBondContact O-N 3.44Å
364L96.1Very high89.9Confident0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-69.5-39.6179.2-66.3174.2000112.1R321 L325 Y341 A344 A345 V348 L360 L362 Y366 S368R321-L364 HydrophobicContact CB-CD2 4.07Å; L325-L364 HydrophobicContact CD1-CD2 3.75Å; L325-L364 HydrophobicContact CD2-CD1 3.8Å; L325-L364 HydrophobicContact CD2-CD2 4.29Å; L325-L364 HydrophobicContact CG-CD2 4.14Å; Y341-L364 HydrophobicContact CD1-CD2 4.03Å; A344-L364 HydrophobicContact CB-CD1 4.17Å; A345-L364 HydrophobicContact CB-CB 3.67Å; V348-L364 HydrophobicContact CB-CD1 4.16Å; V348-L364 HydrophobicContact CG2-CD1 3.81Å; L360-L364 HydrophobicContact CD1-CD1 3.99Å; L360-L364 HydrophobicContact CD1-CG 4Å; L360-L364 HydrophobicContact CG-CD1 3.91Å; L360-L364 HydrophobicContact CG-CG 4.34Å; L360-L364 WeakPolarHBondContact O-CB 3.41Å; L360-L364 WeakPolarHBondContact O-CG 3.2Å; L360-L364 PolarHBondContact O-N 3.43Å; L362-L364 PolarHBondContact O-N 3.05Å; L364-Y366 VanDerWaalsContact C-N 3.33Å; L364-S368 VanDerWaalsContact O-CB 3.25Å; L364-S368 WeakPolarHBondContact O-CB 3.44Å; L364-S368 PolarHBondContact O-N 3.12Å
365V95.6Very high90.2Very high1 Ų140.5 Ų40.51%0.00621%0.208CC..Hα-helixtrans-62.5-44.4172.91730000109.9Y286 C289 L290 V293 A345 C361 L362 S368 V369Y286-V365 HydrophobicContact CD2-CG2 3.98Å; Y286-V365 HydrophobicContact CE2-CG2 3.95Å; C289-V365 HydrophobicContact CB-CG2 4.45Å; L290-V365 HydrophobicContact CB-CG1 4.31Å; L290-V365 HydrophobicContact CD1-CG1 4.17Å; V293-V365 HydrophobicContact CB-CG1 3.97Å; V293-V365 HydrophobicContact CG1-CG1 4.28Å; V293-V365 HydrophobicContact CG2-CG1 3.82Å; A345-V365 HydrophobicContact CB-CG2 3.9Å; C361-V365 WeakPolarHBondContact O-CB 3.23Å; C361-V365 VanDerWaalsContact O-CG2 3.22Å; C361-V365 WeakPolarHBondContact O-CG2 3.35Å; C361-V365 PolarHBondContact O-N 3.1Å; L362-V365 PolarHBondContact O-N 3.21Å; V365-S368 PolarHBondContact O-N 2.99Å; V365-V369 HydrophobicContact CG1-CG2 4.27Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 3.33Å; V365-V369 PolarHBondContact O-N 2.77Å
366Y94.6Very high90.8Very high56 Ų5634.3 Ų34.322%0.2218%0.175CC..Hα-helixtrans-59-52177.8-177.3-94.3000111.9L207 V293 L297 L362 D363 L364 S368 V369 L370L207-Y366 HydrophobicContact CD1-CE1 4.08Å; L207-Y366 HydrophobicContact CD2-CD1 4.5Å; L207-Y366 HydrophobicContact CD2-CE1 4.39Å; V293-Y366 HydrophobicContact CG1-CD2 4.17Å; L297-Y366 HydrophobicContact CD1-CD2 4.39Å; L297-Y366 HydrophobicContact CD1-CE2 4.17Å; L297-Y366 HydrophobicContact CD2-CE2 3.85Å; L297-Y366 HydrophobicContact CG-CE2 4.28Å; L362-Y366 VanDerWaalsContact O-CB 3.26Å; L362-Y366 WeakPolarHBondContact O-CB 3.37Å; L362-Y366 PolarHBondContact O-N 3.3Å; D363-Y366 PolarHBondContact O-N 3.01Å; L364-Y366 VanDerWaalsContact C-N 3.33Å; Y366-S368 VanDerWaalsContact C-N 3.34Å; Y366-S368 PolarHBondContact O-N 3.32Å; Y366-V369 PolarHBondContact O-N 3.24Å; Y366-L370 HydrophobicContact CE1-CD2 3.86Å; Y366-L370 WeakPolarHBondContact O-CB 3.36Å; Y366-L370 PolarHBondContact O-N 3.42Å
367I94.8Very high91.5Very high0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-58.5-46176.5-73.9173.3000111.1L207 F317 Y318 R321 Y341 D363 V369 L370 L371L207-I367 HydrophobicContact CD2-CD1 4.27Å; L207-I367 HydrophobicContact CD2-CG1 3.81Å; F317-I367 HydrophobicContact CD1-CD1 4.24Å; Y318-I367 HydrophobicContact CD1-CD1 4.21Å; Y318-I367 HydrophobicContact CD1-CG1 4.19Å; Y318-I367 HydrophobicContact CD1-CG2 3.83Å; Y318-I367 HydrophobicContact CE1-CG1 4.22Å; Y318-I367 HydrophobicContact CE1-CG2 3.85Å; R321-I367 HydrophobicContact CB-CD1 3.88Å; R321-I367 HydrophobicContact CG-CD1 3.58Å; Y341-I367 HydrophobicContact CD1-CG2 3.69Å; Y341-I367 HydrophobicContact CD2-CG2 3.83Å; Y341-I367 HydrophobicContact CE1-CD1 4.3Å; Y341-I367 HydrophobicContact CE1-CG2 3.97Å; Y341-I367 HydrophobicContact CE2-CG2 4.08Å; Y341-I367 HydrophobicContact CG-CG2 3.61Å; D363-I367 WeakPolarHBondContact O-CG1 3.42Å; D363-I367 PolarHBondContact O-N 3.44Å; I367-V369 PolarHBondContact O-N 3.41Å; I367-L370 PolarHBondContact O-N 3.39Å; I367-L371 HydrophobicContact CG2-CD1 3.77Å; I367-L371 HydrophobicContact CG2-CG 4.43Å; I367-L371 WeakPolarHBondContact O-CB 3.21Å; I367-L371 VanDerWaalsContact O-CG 3.31Å; I367-L371 WeakPolarHBondContact O-CG 3.4Å; I367-L371 PolarHBondContact O-N 3.27Å
368S95.3Very high92Very high2 Ų228 Ų281%0.01416%0.155CC..Hα-helixtrans-61.8-46.6-178.9-178.70000111.9G342 L364 V365 Y366 Q372G342-S368 WeakPolarHBondContact CA-OG 3.35Å; L364-S368 VanDerWaalsContact O-CB 3.25Å; L364-S368 WeakPolarHBondContact O-CB 3.44Å; L364-S368 PolarHBondContact O-N 3.12Å; V365-S368 PolarHBondContact O-N 2.99Å; Y366-S368 VanDerWaalsContact C-N 3.34Å; Y366-S368 PolarHBondContact O-N 3.32Å; S368-Q372 WeakPolarHBondContact O-CG 3.24Å; S368-Q372 PolarHBondContact O-N 3.49Å; S368-Q372 PolarHBondContact OG-NE2 2.98Å
369V92.7Very high92.4Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-68.7-42.6178.8178.60000110.5L290 V293 Q294 L297 V365 Y366 I367 L371 Q372 E373L290-V369 HydrophobicContact CD1-CG2 3.42Å; L290-V369 VanDerWaalsContact CD1-CG2 3.42Å; V293-V369 HydrophobicContact CB-CG2 4.48Å; V293-V369 HydrophobicContact CG1-CB 3.76Å; V293-V369 HydrophobicContact CG1-CG1 4.11Å; V293-V369 HydrophobicContact CG1-CG2 3.84Å; Q294-V369 HydrophobicContact CG-CG1 3.81Å; Q294-V369 HydrophobicContact CG-CG2 4.08Å; L297-V369 HydrophobicContact CD1-CB 4.14Å; L297-V369 HydrophobicContact CD1-CG1 3.77Å; V365-V369 HydrophobicContact CG1-CG2 4.27Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 3.33Å; V365-V369 PolarHBondContact O-N 2.77Å; Y366-V369 PolarHBondContact O-N 3.24Å; I367-V369 PolarHBondContact O-N 3.41Å; V369-L371 PolarHBondContact O-N 2.72Å; V369-Q372 PolarHBondContact O-N 3.1Å; V369-E373 HydrophobicContact CG1-CG 3.89Å; V369-E373 WeakPolarHBondContact O-CB 3.15Å; V369-E373 VanDerWaalsContact O-CG 3.31Å; V369-E373 WeakPolarHBondContact O-CG 3.47Å; V369-E373 PolarHBondContact O-N 3.33Å
370L91Very high92.7Very high0 Ų031.3 Ų31.30%017%0.168CC..Hα-helixtrans-56-50178.1176.759.1000111.4L207 T212 L297 L301 Y318 Y366 I367 Q372 E373 L374L207-L370 HydrophobicContact CD1-CD2 4.43Å; T212-L370 HydrophobicContact CG2-CD1 4.41Å; T212-L370 HydrophobicContact CG2-CD2 4.13Å; L297-L370 HydrophobicContact CD1-CB 4.21Å; L301-L370 HydrophobicContact CD1-CD1 3.56Å; L301-L370 HydrophobicContact CD2-CD1 4.08Å; L301-L370 HydrophobicContact CG-CD1 4.48Å; Y318-L370 VanDerWaalsContact OH-CD2 3.23Å; Y318-L370 WeakPolarHBondContact OH-CD2 3.19Å; Y366-L370 HydrophobicContact CE1-CD2 3.86Å; Y366-L370 WeakPolarHBondContact O-CB 3.36Å; Y366-L370 PolarHBondContact O-N 3.42Å; I367-L370 PolarHBondContact O-N 3.39Å; L370-Q372 VanDerWaalsContact C-N 3.32Å; L370-Q372 PolarHBondContact O-N 3.16Å; L370-E373 PolarHBondContact O-N 2.9Å; L370-L374 HydrophobicContact CD1-CD1 3.93Å; L370-L374 HydrophobicContact CD1-CG 4.21Å; L370-L374 HydrophobicContact CG-CD1 4.03Å; L370-L374 WeakPolarHBondContact O-CB 3.35Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 2.81Å
371L92.1Very high93Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-64.4-36.4179-68170.8000112.4L205 Y318 V338 Y341 I367 V369 G375 F376 L382L205-L371 HydrophobicContact CD1-CD2 3.93Å; Y318-L371 HydrophobicContact CE1-CD1 4.2Å; Y318-L371 HydrophobicContact CE1-CD2 3.97Å; Y318-L371 HydrophobicContact CE1-CG 4.1Å; V338-L371 HydrophobicContact CG1-CB 3.94Å; V338-L371 HydrophobicContact CG1-CD1 4.33Å; V338-L371 HydrophobicContact CG2-CD1 4.32Å; Y341-L371 HydrophobicContact CD2-CD1 3.91Å; Y341-L371 HydrophobicContact CE2-CD1 4.21Å; I367-L371 HydrophobicContact CG2-CD1 3.77Å; I367-L371 HydrophobicContact CG2-CG 4.43Å; I367-L371 WeakPolarHBondContact O-CB 3.21Å; I367-L371 VanDerWaalsContact O-CG 3.31Å; I367-L371 WeakPolarHBondContact O-CG 3.4Å; I367-L371 PolarHBondContact O-N 3.27Å; V369-L371 PolarHBondContact O-N 2.72Å; L371-G375 PolarHBondContact O-N 3.38Å; L371-F376 HydrophobicContact CB-CD2 4.39Å; L371-F376 HydrophobicContact CD2-CD2 3.85Å; L371-F376 HydrophobicContact CD2-CE2 4.11Å; L371-F376 WeakPolarHBondContact O-CB 3.32Å; L371-F376 WeakPolarHBondContact O-CD2 3.24Å; L371-F376 PolarHBondContact O-N 3.3Å; L371-L382 HydrophobicContact CD1-CD1 3.99Å; L371-L382 HydrophobicContact CD2-CD1 4.04Å
372Q90Very high93.2Very high103 Ų10335.9 Ų35.948%0.48119%0.188SC..Hα-helixtrans-67.5-46.9176-73.5171.913.100112.2S368 V369 L370 L374 G375S368-Q372 WeakPolarHBondContact O-CG 3.24Å; S368-Q372 PolarHBondContact O-N 3.49Å; S368-Q372 PolarHBondContact OG-NE2 2.98Å; V369-Q372 PolarHBondContact O-N 3.1Å; L370-Q372 VanDerWaalsContact C-N 3.32Å; L370-Q372 PolarHBondContact O-N 3.16Å; Q372-L374 VanDerWaalsContact C-N 3.27Å; Q372-L374 PolarHBondContact O-N 3.12Å; Q372-G375 WeakPolarHBondContact O-CA 3.39Å; Q372-G375 PolarHBondContact O-N 2.79Å
373E86Confident93.4Very high71 Ų7138.7 Ų38.733%0.33220%0.195SC..Hα-helixtrans-66.1-29.7178.5-68.6-69151.500112.1L301 V369 L370 G375L301-E373 HydrophobicContact CD1-CB 3.61Å; L301-E373 HydrophobicContact CD1-CG 4.44Å; V369-E373 HydrophobicContact CG1-CG 3.89Å; V369-E373 WeakPolarHBondContact O-CB 3.15Å; V369-E373 VanDerWaalsContact O-CG 3.31Å; V369-E373 WeakPolarHBondContact O-CG 3.47Å; V369-E373 PolarHBondContact O-N 3.33Å; L370-E373 PolarHBondContact O-N 2.9Å; E373-G375 PolarHBondContact O-N 3.34Å
374L86.3Confident93.4Very high6 Ų637.2 Ų37.23%0.03119%0.187CC..THydrogen-bonded Turntrans-71-10.3170.5-71.7171.5000113.2I214 L301 L370 Q372 F376I214-L374 HydrophobicContact CD1-CD1 4.45Å; I214-L374 HydrophobicContact CD1-CD2 4.44Å; I214-L374 HydrophobicContact CG2-CD2 4.16Å; L301-L374 HydrophobicContact CD2-CD2 4.42Å; L370-L374 HydrophobicContact CD1-CD1 3.93Å; L370-L374 HydrophobicContact CD1-CG 4.21Å; L370-L374 HydrophobicContact CG-CD1 4.03Å; L370-L374 WeakPolarHBondContact O-CB 3.35Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 2.81Å; Q372-L374 VanDerWaalsContact C-N 3.27Å; Q372-L374 PolarHBondContact O-N 3.12Å; L374-F376 HydrophobicContact CB-CD2 3.87Å; L374-F376 HydrophobicContact CB-CE2 3.95Å; L374-F376 HydrophobicContact CD1-CE2 4.22Å
375G87.8Confident93.1Very high32 Ų3237.9 Ų37.933%0.3319%0.193SC..THydrogen-bonded Turntrans90.514.8175.800000114.8L371 Q372 E373L371-G375 PolarHBondContact O-N 3.38Å; Q372-G375 WeakPolarHBondContact O-CA 3.39Å; Q372-G375 PolarHBondContact O-N 2.79Å; E373-G375 PolarHBondContact O-N 3.34Å
376F92.3Very high92.7Very high8 Ų845 Ų454%0.03522%0.22CC..  trans-72130.3176.9-71.1-76.9000111.4L205 I214 A307 F312 V338 L371 L374 K380L205-F376 HydrophobicContact CD1-CE2 4.1Å; L205-F376 HydrophobicContact CD1-CZ 3.97Å; L205-F376 HydrophobicContact CD2-CE2 4.06Å; L205-F376 HydrophobicContact CD2-CZ 4.15Å; L205-F376 HydrophobicContact CG-CZ 4.42Å; I214-F376 HydrophobicContact CD1-CE2 3.88Å; I214-F376 HydrophobicContact CD1-CZ 3.84Å; A307-F376 HydrophobicContact CB-CE1 4.02Å; A307-F376 HydrophobicContact CB-CZ 4.14Å; F312-F376 HydrophobicContact CD1-CZ 4.3Å; F312-F376 AromaticContact CD2-CE1 3.57Å; F312-F376 HydrophobicContact CD2-CE1 3.57Å; F312-F376 AromaticContact CD2-CZ 3.99Å; F312-F376 HydrophobicContact CD2-CZ 3.99Å; F312-F376 HydrophobicContact CE1-CZ 4.15Å; F312-F376 AromaticContact CE2-CE1 3.58Å; F312-F376 HydrophobicContact CE2-CE1 3.58Å; F312-F376 AromaticContact CE2-CZ 3.85Å; F312-F376 HydrophobicContact CE2-CZ 3.85Å; F312-F376 HydrophobicContact CG-CE1 4.15Å; F312-F376 HydrophobicContact CG-CZ 4.23Å; F312-F376 HydrophobicContact CZ-CE1 4.15Å; F312-F376 AromaticContact CZ-CZ 3.94Å; F312-F376 HydrophobicContact CZ-CZ 3.94Å; V338-F376 HydrophobicContact CG2-CB 3.97Å; L371-F376 HydrophobicContact CB-CD2 4.39Å; L371-F376 HydrophobicContact CD2-CD2 3.85Å; L371-F376 HydrophobicContact CD2-CE2 4.11Å; L371-F376 WeakPolarHBondContact O-CB 3.32Å; L371-F376 WeakPolarHBondContact O-CD2 3.24Å; L371-F376 PolarHBondContact O-N 3.3Å; L374-F376 HydrophobicContact CB-CD2 3.87Å; L374-F376 HydrophobicContact CB-CE2 3.95Å; L374-F376 HydrophobicContact CD1-CE2 4.22Å; F376-K380 HydrophobicContact CD1-CG 3.95Å
377P94.4Very high92.4Very high35 Ų3545.7 Ų45.723%0.22723%0.229CC..  trans-70.4150.3176.526.8-30.2000110.7A308 H379 K380A308-P377 HydrophobicContact CB-CG 4.1Å; P377-H379 PolarHBondContact O-N 3.12Å; P377-H379 VanDerWaalsContact O-N 3.12Å; P377-K380 HydrophobicContact CG-CB 3.99Å; P377-K380 WeakPolarHBondContact O-CB 3.17Å; P377-K380 PolarHBondContact O-N 3.34Å
378S95.3Very high92Very high77 Ų7746.3 Ų46.354%0.53823%0.233SC..THydrogen-bonded Turntrans-56.3-33.7-175.558.80000114.1S339 K380S339-S378 WeakPolarHBondContact CB-O 3.41Å; S339-S378 PolarHBondContact N-O 3.05Å; S339-S378 PolarHBondContact OG-O 3.33Å; S378-K380 VanDerWaalsContact C-N 3.33Å
379H95.6Very high91.5Very high134 Ų13454.5 Ų54.562%0.6226%0.264SS*.THydrogen-bonded Turntrans-84.1-4178.766.1-89.6000113.8P377 Q381P377-H379 PolarHBondContact O-N 3.12Å; P377-H379 VanDerWaalsContact O-N 3.12Å; H379-Q381 PolarHBondContact O-N 3.01Å
380K95.8Very high91.2Very high21 Ų2163 Ų639%0.09130%0.304CS..  trans-59.8132.4178.7-175.267.6170.6-178.10109.6A308 V310 R337 V338 F376 P377 S378 L382A308-K380 PolarHBondContact O-NZ 2.96Å; V310-K380 WeakPolarHBondContact O-CE 3.26Å; V310-K380 PolarHBondContact O-NZ 2.94Å; R337-K380 CarbonylContact C-O 3.52Å; R337-K380 VanDerWaalsContact CA-O 3.25Å; R337-K380 WeakPolarHBondContact CA-O 3.35Å; V338-K380 HydrophobicContact CG2-CB 3.88Å; V338-K380 HydrophobicContact CG2-CG 4.5Å; V338-K380 PolarHBondContact N-O 2.63Å; F376-K380 HydrophobicContact CD1-CG 3.95Å; P377-K380 HydrophobicContact CG-CB 3.99Å; P377-K380 WeakPolarHBondContact O-CB 3.17Å; P377-K380 PolarHBondContact O-N 3.34Å; S378-K380 VanDerWaalsContact C-N 3.33Å; K380-L382 HydrophobicContact CG-CD2 4.3Å
381Q96.9Very high91.1Very high124 Ų12463.5 Ų63.558%0.57931%0.307SS*.EExtended strand (participates in β ladder)trans-95.4131.2174.7-75.9-179.789.900110.1T335 I336 R337 H379T335-Q381 HydrophobicContact CG2-CB 3.59Å; T335-Q381 HydrophobicContact CG2-CG 3.88Å; I336-Q381 WeakPolarHBondContact O-CA 3.22Å; R337-Q381 HydrophobicContact CG-CG 3.92Å; H379-Q381 PolarHBondContact O-N 3.01Å
382L97.2Very high91Very high0 Ų065.5 Ų65.50%032%0.316CS..EExtended strand (participates in β ladder)trans-109.9131.3173.9-56.4179.8000108.7L205 F312 A314 T335 I336 V338 L371 K380L205-L382 HydrophobicContact CD1-CD1 4.04Å; L205-L382 HydrophobicContact CD1-CD2 3.93Å; F312-L382 HydrophobicContact CB-CD2 3.84Å; A314-L382 HydrophobicContact CB-CB 4.46Å; T335-L382 WeakPolarHBondContact CA-O 3.47Å; I336-L382 HydrophobicContact CG2-CB 4.26Å; I336-L382 PolarHBondContact N-O 2.9Å; I336-L382 PolarHBondContact O-N 2.85Å; V338-L382 HydrophobicContact CG2-CD1 4.33Å; V338-L382 HydrophobicContact CG2-CG 4.39Å; L371-L382 HydrophobicContact CD1-CD1 3.99Å; L371-L382 HydrophobicContact CD2-CD1 4.04Å; K380-L382 HydrophobicContact CG-CD2 4.3Å
383R97.1Very high90.8Very high110 Ų11060.9 Ų60.942%0.41530%0.295SS..EExtended strand (participates in β ladder)trans-86.3127.1175.1-62-178.1-175.2-163.85.8109.2F312 Y313 A314F312-R383 PolarHBondContact O-N 3.35Å; Y313-R383 CarbonylContact C-O 3.57Å; Y313-R383 VanDerWaalsContact CA-O 3.23Å; Y313-R383 WeakPolarHBondContact CA-O 3.12Å; Y313-R383 HydrophobicContact CD1-CB 3.74Å; Y313-R383 HydrophobicContact CD2-CB 4.42Å; Y313-R383 HydrophobicContact CE1-CB 3.81Å; Y313-R383 HydrophobicContact CE2-CB 4.49Å; Y313-R383 HydrophobicContact CG-CB 4.06Å; Y313-R383 PolarHBondContact OH-NH1 3.39Å; A314-R383 PolarHBondContact N-O 3.4Å
384L95.6Very high91Very high2 Ų258 Ų581%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-117.4119.6-176.1-67.9167.8000108.5A314 Y319 A322 I328 G333 G334 I336A314-L384 HydrophobicContact CB-CD2 3.61Å; A314-L384 WeakPolarHBondContact O-CD2 3.49Å; Y319-L384 HydrophobicContact CD2-CB 3.96Å; A322-L384 HydrophobicContact CB-CD1 3.33Å; I328-L384 HydrophobicContact CD1-CB 3.69Å; I328-L384 HydrophobicContact CD1-CD1 3.89Å; I328-L384 HydrophobicContact CD1-CG 4.45Å; I328-L384 HydrophobicContact CG2-CD1 4.11Å; G333-L384 CarbonylContact C-O 3.43Å; G333-L384 VanDerWaalsContact CA-O 3.29Å; G333-L384 WeakPolarHBondContact CA-O 3.41Å; G334-L384 PolarHBondContact N-O 2.89Å; G334-L384 PolarHBondContact O-N 2.99Å; I336-L384 HydrophobicContact CB-CD1 3.89Å; I336-L384 HydrophobicContact CG2-CD1 3.36Å; I336-L384 HydrophobicContact CG2-CG 4.16Å
385A88.8Confident91.3Very high14 Ų1458 Ų5812%0.11628%0.282CS..  trans-147.5128.9179.300000110.2F315 T387 V388 A393F315-A385 WeakPolarHBondContact CD1-O 3.39Å; A385-T387 VanDerWaalsContact C-N 3.33Å; A385-V388 HydrophobicContact CB-CG2 4.13Å; A385-A393 WeakPolarHBondContact O-CB 3.25Å
386R86.6Confident91.6Very high151 Ų15156.4 Ų56.457%0.5727%0.267SS*.SBendtrans-70.8-33172.2-174.5175.2-179.4166.42.3112.2Y319 A393Y319-R386 HydrophobicContact CE1-CB 4.05Å; Y319-R386 HydrophobicContact CE2-CB 4.18Å; R386-A393 PolarHBondContact O-N 3.07Å
387T88.3Confident91.7Very high69 Ų6956 Ų5642%0.42327%0.265SS..EExtended strand (participates in β ladder)trans-133.8144.7173.870.30000110.3A385 V391A385-T387 VanDerWaalsContact C-N 3.33Å; T387-V391 CarbonylContact C-O 3.57Å; T387-V391 WeakPolarHBondContact CA-O 3.32Å; T387-V391 VanDerWaalsContact CB-O 3.25Å; T387-V391 WeakPolarHBondContact CB-O 3.46Å
388V86.7Confident91.7Very high14 Ų1454.4 Ų54.49%0.08525%0.254CS..EExtended strand (participates in β ladder)trans-117.9119.1171.8-178.80000107.4I187 L190 T191 Y313 A385 Q390 V391 A393I187-V388 HydrophobicContact CD1-CG2 4.33Å; L190-V388 HydrophobicContact CB-CB 4.24Å; L190-V388 HydrophobicContact CB-CG1 3.82Å; L190-V388 HydrophobicContact CD1-CB 3.94Å; L190-V388 HydrophobicContact CD1-CG1 4.45Å; T191-V388 HydrophobicContact CG2-CG1 4.48Å; Y313-V388 HydrophobicContact CD1-CG2 4.47Å; Y313-V388 HydrophobicContact CE1-CG2 4.32Å; A385-V388 HydrophobicContact CB-CG2 4.13Å; V388-Q390 VanDerWaalsContact C-N 3.3Å; V388-Q390 PolarHBondContact O-N 3.03Å; V388-V391 PolarHBondContact N-O 2.93Å; V388-V391 WeakPolarHBondContact O-CB 3.41Å; V388-V391 PolarHBondContact O-N 3.16Å; V388-V391 VanDerWaalsContact O-N 3.13Å; V388-A393 HydrophobicContact CG2-CB 4.47Å
389R85.8Confident91.5Very high174 Ų17451 Ų5166%0.65723%0.231SC*.THydrogen-bonded Turntrans53.743.6-173.6-60.1-175.9175.1173.92.7113.3L190 V391L190-R389 VanDerWaalsContact O-CD 3.29Å; L190-R389 WeakPolarHBondContact O-CD 3.4Å; L190-R389 PolarHBondContact O-NE 3.4Å; L190-R389 VanDerWaalsContact O-NE 3.1Å; L190-R389 PolarHBondContact O-NH1 3.03Å; L190-R389 VanDerWaalsContact O-NH1 3.14Å; R389-V391 PolarHBondContact O-N 2.91Å
390Q86.1Confident91.4Very high179 Ų17944.9 Ų44.984%0.83620%0.203SC*.THydrogen-bonded Turntrans66.615.1-178.8-52.1177.9-9.600114.9V388V388-Q390 VanDerWaalsContact C-N 3.3Å; V388-Q390 PolarHBondContact O-N 3.03Å
391V89.3Confident91.1Very high10 Ų1045.1 Ų45.16%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-111.5134.5178.2-175.60000108.6F73 L85 E88 L190 T387 V388 R389 A393 L397F73-V391 HydrophobicContact CE1-CG1 4.31Å; L85-V391 HydrophobicContact CD2-CB 4.23Å; L85-V391 HydrophobicContact CD2-CG1 3.8Å; L85-V391 HydrophobicContact CD2-CG2 3.36Å; E88-V391 VanDerWaalsContact OE2-CA 3.23Å; E88-V391 WeakPolarHBondContact OE2-CA 3.46Å; E88-V391 WeakPolarHBondContact OE2-CG1 3.39Å; L190-V391 HydrophobicContact CD1-CB 3.92Å; L190-V391 HydrophobicContact CD1-CG1 4.05Å; L190-V391 HydrophobicContact CD2-CB 3.83Å; L190-V391 HydrophobicContact CD2-CG1 4.15Å; L190-V391 HydrophobicContact CD2-CG2 3.73Å; T387-V391 CarbonylContact C-O 3.57Å; T387-V391 WeakPolarHBondContact CA-O 3.32Å; T387-V391 VanDerWaalsContact CB-O 3.25Å; T387-V391 WeakPolarHBondContact CB-O 3.46Å; V388-V391 PolarHBondContact N-O 2.93Å; V388-V391 WeakPolarHBondContact O-CB 3.41Å; V388-V391 PolarHBondContact O-N 3.16Å; V388-V391 VanDerWaalsContact O-N 3.13Å; R389-V391 PolarHBondContact O-N 2.91Å; V391-A393 PolarHBondContact O-N 3.27Å; V391-L397 HydrophobicContact CG1-CD2 4.15Å
392E88.9Confident90.7Very high41 Ų4142 Ų4219%0.19219%0.19CC..EExtended strand (participates in β ladder)trans-59.9131.8-179.8-168.4-90.9174.800111H71 E88 S394H71-E392 IonicContact CE1-OE2 3.44Å; H71-E392 PolarHBondContact CE1-OE2 3Å; H71-E392 VanDerWaalsContact CE1-OE2 3.27Å; E88-E392 PolarHBondContact OE2-N 3.1Å; E392-S394 VanDerWaalsContact C-N 3.34Å; E392-S394 PolarHBondContact O-N 3.3Å; E392-S394 VanDerWaalsContact O-N 3.1Å; E392-S394 WeakPolarHBondContact OE2-CB 3.31Å; E392-S394 PolarHBondContact OE2-N 3.04Å; E392-S394 PolarHBondContact OE2-OG 3.48Å
393A85.9Confident90.2Very high6 Ų643.9 Ų43.95%0.0520%0.199CC..  trans-87.176.3-174.300000110.7I187 F315 A385 R386 V388 V391I187-A393 HydrophobicContact CD1-CB 4.46Å; F315-A393 HydrophobicContact CD1-CB 3.42Å; F315-A393 VanDerWaalsContact CD1-CB 3.42Å; F315-A393 HydrophobicContact CE1-CB 3.43Å; F315-A393 VanDerWaalsContact CE1-CB 3.43Å; F315-A393 HydrophobicContact CG-CB 4.17Å; F315-A393 HydrophobicContact CZ-CB 4.17Å; A385-A393 WeakPolarHBondContact O-CB 3.25Å; R386-A393 PolarHBondContact O-N 3.07Å; V388-A393 HydrophobicContact CG2-CB 4.47Å; V391-A393 PolarHBondContact O-N 3.27Å
394S89.7Confident89.6Confident10 Ų1039.1 Ų39.17%0.0718%0.181CC..SBendtrans-133.6-178.517370.80000112.4T186 E392 A396T186-S394 WeakPolarHBondContact CB-O 3.36Å; T186-S394 WeakPolarHBondContact CG2-O 3.15Å; T186-S394 PolarHBondContact OG1-O 3.14Å; E392-S394 VanDerWaalsContact C-N 3.34Å; E392-S394 PolarHBondContact O-N 3.3Å; E392-S394 VanDerWaalsContact O-N 3.1Å; E392-S394 WeakPolarHBondContact OE2-CB 3.31Å; E392-S394 PolarHBondContact OE2-N 3.04Å; E392-S394 PolarHBondContact OE2-OG 3.48Å; S394-A396 PolarHBondContact O-N 3.36Å; S394-A396 WeakPolarHBondContact OG-CB 3.44Å; S394-A396 PolarHBondContact OG-N 3.18Å; S394-A396 VanDerWaalsContact OG-N 3.15Å
395W92.8Very high89Confident6 Ų641.1 Ų41.12%0.02319%0.191CC..SBendtrans-68.7-15.117260.3-100.7000114.2M60 D62 K135 T137 M174 E179 S182 A183 L397 G398 A399M60-W395 HydrophobicContact CG-CZ3 4.16Å; M60-W395 HydrophobicContact SD-CH2 4.46Å; M60-W395 HydrophobicContact SD-CZ3 3.98Å; D62-W395 HydrophobicContact CB-CH2 3.82Å; D62-W395 HydrophobicContact CB-CZ2 3.49Å; D62-W395 VanDerWaalsContact CB-CZ2 3.49Å; D62-W395 VanDerWaalsContact OD1-CZ2 3.3Å; D62-W395 WeakPolarHBondContact OD1-CZ2 3.29Å; K135-W395 HydrophobicContact CB-CH2 3.52Å; K135-W395 HydrophobicContact CB-CZ2 4.4Å; K135-W395 HydrophobicContact CB-CZ3 3.82Å; K135-W395 HydrophobicContact CG-CH2 4.46Å; K135-W395 HydrophobicContact CG-CZ3 4.32Å; T137-W395 HydrophobicContact CG2-CZ2 3.94Å; M174-W395 HydrophobicContact CE-CD2 4.35Å; M174-W395 HydrophobicContact CE-CE3 3.6Å; M174-W395 HydrophobicContact CE-CH2 4.33Å; M174-W395 HydrophobicContact CE-CZ3 3.62Å; M174-W395 HydrophobicContact SD-CD2 3.99Å; M174-W395 HydrophobicContact SD-CE3 3.86Å; M174-W395 HydrophobicContact SD-CZ3 4.23Å; E179-W395 HydrophobicContact CG-CG 4.15Å; E179-W395 WeakPolarHBondContact O-CB 3.29Å; S182-W395 WeakPolarHBondContact CB-O 3.36Å; A183-W395 HydrophobicContact CB-CB 4Å; W395-L397 PolarHBondContact O-N 3.06Å; W395-G398 PolarHBondContact O-N 3.26Å; W395-A399 HydrophobicContact CE3-CB 3.78Å; W395-A399 HydrophobicContact CZ3-CB 3.97Å; W395-A399 PolarHBondContact O-N 2.84Å
396A94.5Very high88.7Confident0 Ų042.6 Ų42.60%020%0.202CC..Hα-helixtrans-61.3-40.5-168.500000113.7M60 F73 S394 A400M60-A396 HydrophobicContact CG-CB 4.01Å; F73-A396 HydrophobicContact CE2-CB 4.34Å; F73-A396 HydrophobicContact CZ-CB 4.27Å; S394-A396 PolarHBondContact O-N 3.36Å; S394-A396 WeakPolarHBondContact OG-CB 3.44Å; S394-A396 PolarHBondContact OG-N 3.18Å; S394-A396 VanDerWaalsContact OG-N 3.15Å; A396-A400 WeakPolarHBondContact O-CB 3.38Å; A396-A400 PolarHBondContact O-N 3.28Å
397L94.9Very high88.3Confident0 Ų038.5 Ų38.50%019%0.192CC..Hα-helixtrans-65.3-47.7178.517767.5000111.8F73 F75 L85 T186 F189 L190 V391 W395 A399 A400 F401F73-L397 HydrophobicContact CD1-CD1 3.7Å; F73-L397 HydrophobicContact CD2-CD1 4.38Å; F73-L397 HydrophobicContact CE1-CB 4.05Å; F73-L397 HydrophobicContact CE1-CD1 3.74Å; F73-L397 HydrophobicContact CE1-CG 4.49Å; F73-L397 HydrophobicContact CE2-CB 4.37Å; F73-L397 HydrophobicContact CE2-CD1 4.41Å; F73-L397 HydrophobicContact CG-CD1 4.02Å; F73-L397 HydrophobicContact CZ-CB 3.8Å; F73-L397 HydrophobicContact CZ-CD1 4.11Å; F75-L397 HydrophobicContact CE1-CD1 3.82Å; F75-L397 HydrophobicContact CZ-CD1 3.65Å; L85-L397 HydrophobicContact CD1-CD1 4.03Å; L85-L397 HydrophobicContact CD2-CD1 3.89Å; L85-L397 HydrophobicContact CD2-CD2 4.18Å; L85-L397 HydrophobicContact CG-CD1 4.46Å; T186-L397 HydrophobicContact CG2-CB 3.88Å; T186-L397 HydrophobicContact CG2-CD2 4.06Å; F189-L397 HydrophobicContact CD1-CD2 3.73Å; F189-L397 HydrophobicContact CE1-CD2 4.25Å; F189-L397 HydrophobicContact CG-CD2 4.24Å; L190-L397 HydrophobicContact CD1-CD2 4.11Å; L190-L397 HydrophobicContact CD2-CD2 3.74Å; L190-L397 HydrophobicContact CG-CD2 3.8Å; V391-L397 HydrophobicContact CG1-CD2 4.15Å; W395-L397 PolarHBondContact O-N 3.06Å; L397-A399 VanDerWaalsContact C-N 3.35Å; L397-A399 PolarHBondContact O-N 3.47Å; L397-A400 PolarHBondContact O-N 2.98Å; L397-F401 WeakPolarHBondContact O-CB 3.34Å; L397-F401 PolarHBondContact O-N 3.47Å
398G93.2Very high87.7Confident0 Ų040.7 Ų40.70%019%0.192CC..Hα-helixtrans-61.3-43.6179.300000112.1S182 T186 W395 F401 Q402S182-G398 WeakPolarHBondContact O-CA 3.48Å; T186-G398 PolarHBondContact OG1-N 3.36Å; W395-G398 PolarHBondContact O-N 3.26Å; G398-F401 PolarHBondContact O-N 2.78Å; G398-Q402 WeakPolarHBondContact O-CG 3.44Å; G398-Q402 PolarHBondContact O-N 3.48Å
399A92.9Very high86.8Confident6 Ų649 Ų495%0.0522%0.222CC..Hα-helixtrans-62.9-42.717500000112.1M60 M174 W395 L397 Q402 H403M60-A399 HydrophobicContact CE-CB 3.84Å; M174-A399 HydrophobicContact CE-CB 4.03Å; W395-A399 HydrophobicContact CE3-CB 3.78Å; W395-A399 HydrophobicContact CZ3-CB 3.97Å; W395-A399 PolarHBondContact O-N 2.84Å; L397-A399 VanDerWaalsContact C-N 3.35Å; L397-A399 PolarHBondContact O-N 3.47Å; A399-Q402 PolarHBondContact O-N 3.27Å; A399-H403 PolarHBondContact O-N 3.43Å
400A92.9Very high85.4Confident5 Ų549.5 Ų49.54%0.04124%0.238CC..Hα-helixtrans-63.4-42.1176.600000111.7M60 F73 A396 L397 H403 L404M60-A400 HydrophobicContact CB-CB 4.29Å; M60-A400 HydrophobicContact CE-CB 4.19Å; F73-A400 HydrophobicContact CD2-CB 3.59Å; F73-A400 HydrophobicContact CE2-CB 3.86Å; A396-A400 WeakPolarHBondContact O-CB 3.38Å; A396-A400 PolarHBondContact O-N 3.28Å; L397-A400 PolarHBondContact O-N 2.98Å; A400-H403 PolarHBondContact O-N 3.28Å; A400-L404 WeakPolarHBondContact O-CG 3.25Å; A400-L404 PolarHBondContact O-N 2.93Å
401F89.6Confident85.4Confident26 Ų2643.1 Ų43.111%0.11421%0.208CC..Hα-helixtrans-62.4-46.1176.5178.3-107000111.9F82 P83 I185 F189 L397 G398 H403 L404 E405F82-F401 HydrophobicContact CE2-CE1 4.2Å; F82-F401 AromaticContact CE2-CZ 3.73Å; F82-F401 HydrophobicContact CE2-CZ 3.73Å; F82-F401 HydrophobicContact CZ-CE1 4.11Å; F82-F401 HydrophobicContact CZ-CE2 4.35Å; F82-F401 AromaticContact CZ-CZ 3.74Å; F82-F401 HydrophobicContact CZ-CZ 3.74Å; P83-F401 HydrophobicContact CB-CE2 4.09Å; P83-F401 HydrophobicContact CG-CE2 3.87Å; I185-F401 HydrophobicContact CG2-CD1 4.12Å; F189-F401 HydrophobicContact CD2-CD2 4.22Å; F189-F401 HydrophobicContact CD2-CE2 4.4Å; F189-F401 HydrophobicContact CD2-CG 4.32Å; F189-F401 AromaticContact CE2-CD2 3.84Å; F189-F401 HydrophobicContact CE2-CD2 3.84Å; F189-F401 AromaticContact CE2-CE2 3.96Å; F189-F401 HydrophobicContact CE2-CE2 3.96Å; F189-F401 HydrophobicContact CE2-CG 4.38Å; L397-F401 WeakPolarHBondContact O-CB 3.34Å; L397-F401 PolarHBondContact O-N 3.47Å; G398-F401 PolarHBondContact O-N 2.78Å; F401-H403 PolarHBondContact O-N 3Å; F401-L404 PolarHBondContact O-N 2.69Å; F401-E405 HydrophobicContact CD2-CG 4.47Å; F401-E405 HydrophobicContact CE1-CG 4.21Å; F401-E405 HydrophobicContact CE2-CG 4.04Å; F401-E405 HydrophobicContact CZ-CG 3.89Å; F401-E405 WeakPolarHBondContact O-CG 3.4Å; F401-E405 PolarHBondContact O-N 3.23Å
402Q87.8Confident85.1Confident60 Ų6044.8 Ų44.828%0.2822%0.216SC..Hα-helixtrans-60.9-43.7177-74.2176.6-57.800112.3S182 I185 G398 A399 E405 A406S182-Q402 PolarHBondContact OG-OE1 3.34Å; I185-Q402 HydrophobicContact CD1-CG 3.72Å; G398-Q402 WeakPolarHBondContact O-CG 3.44Å; G398-Q402 PolarHBondContact O-N 3.48Å; A399-Q402 PolarHBondContact O-N 3.27Å; Q402-E405 PolarHBondContact O-N 3.46Å; Q402-A406 PolarHBondContact O-N 3.28Å
403H86.6Confident84.9Confident39 Ų3945 Ų4518%0.18122%0.217CC..Hα-helixtrans-65.5-41.7177.9-102.7-39.1000112.6A399 A400 F401 E405 A406 L407A399-H403 PolarHBondContact O-N 3.43Å; A400-H403 PolarHBondContact O-N 3.28Å; F401-H403 PolarHBondContact O-N 3Å; H403-E405 VanDerWaalsContact C-N 3.32Å; H403-E405 PolarHBondContact O-N 3.23Å; H403-A406 PolarHBondContact O-N 2.83Å; H403-L407 WeakPolarHBondContact O-CG 3.32Å; H403-L407 PolarHBondContact O-N 3.16Å
404L84.8Confident84.9Confident9 Ų947.3 Ų47.35%0.04723%0.227CC..Hα-helixtrans-62.3-41175.6-75.1171000111.6F75 P131 A400 F401 L407 R408F75-L404 HydrophobicContact CD2-CD1 3.35Å; F75-L404 HydrophobicContact CE2-CD1 3.3Å; F75-L404 HydrophobicContact CG-CD1 4.23Å; F75-L404 HydrophobicContact CZ-CD1 4.15Å; P131-L404 HydrophobicContact CG-CD2 3.74Å; A400-L404 WeakPolarHBondContact O-CG 3.25Å; A400-L404 PolarHBondContact O-N 2.93Å; F401-L404 PolarHBondContact O-N 2.69Å; L404-L407 PolarHBondContact O-N 2.65Å; L404-R408 VanDerWaalsContact O-CG 3.32Å; L404-R408 WeakPolarHBondContact O-CG 3.45Å; L404-R408 PolarHBondContact O-N 3.08Å
405E82.4Confident84.6Confident45 Ų4549.6 Ų49.621%0.2124%0.237CC..Hα-helixtrans-67.6-33.7176.8-75.9-67.5118.900112.8F401 Q402 H403 R408 R409F401-E405 HydrophobicContact CD2-CG 4.47Å; F401-E405 HydrophobicContact CE1-CG 4.21Å; F401-E405 HydrophobicContact CE2-CG 4.04Å; F401-E405 HydrophobicContact CZ-CG 3.89Å; F401-E405 WeakPolarHBondContact O-CG 3.4Å; F401-E405 PolarHBondContact O-N 3.23Å; Q402-E405 PolarHBondContact O-N 3.46Å; H403-E405 VanDerWaalsContact C-N 3.32Å; H403-E405 PolarHBondContact O-N 3.23Å; E405-R408 PolarHBondContact O-N 2.98Å; E405-R408 IonicContact OE1-CZ 3.71Å; E405-R408 IonicContact OE1-NH1 3.67Å; E405-R408 PolarHBondContact OE1-NH1 3.42Å; E405-R409 WeakPolarHBondContact O-CG 3.13Å
406A82.6Confident84Confident44 Ų4452.5 Ų52.536%0.36425%0.251SS..Hα-helixtrans-63.7-49.217300000111.5Q402 H403 R408 R409 D410Q402-A406 PolarHBondContact O-N 3.28Å; H403-A406 PolarHBondContact O-N 2.83Å; A406-R408 PolarHBondContact O-N 3.06Å; A406-R409 PolarHBondContact O-N 3.43Å; A406-D410 PolarHBondContact O-N 2.64Å
407L79.1Confident83.3Confident66 Ų6656.3 Ų56.335%0.34627%0.269SS..Hα-helixtrans-62.8-15.3178.5-69.5172.4000114.4P131 L165 H403 L404P131-L407 HydrophobicContact CB-CD1 3.87Å; P131-L407 HydrophobicContact CG-CD1 3.89Å; L165-L407 HydrophobicContact CD2-CD1 4.48Å; H403-L407 WeakPolarHBondContact O-CG 3.32Å; H403-L407 PolarHBondContact O-N 3.16Å; L404-L407 PolarHBondContact O-N 2.65Å
408R74.9Confident82.4Confident115 Ų11560.6 Ų60.643%0.43429%0.29SS..THydrogen-bonded Turntrans-88.2-17.9175.1-71.2176.977.2-173.88.9113.5L404 E405 A406L404-R408 VanDerWaalsContact O-CG 3.32Å; L404-R408 WeakPolarHBondContact O-CG 3.45Å; L404-R408 PolarHBondContact O-N 3.08Å; E405-R408 PolarHBondContact O-N 2.98Å; E405-R408 IonicContact OE1-CZ 3.71Å; E405-R408 IonicContact OE1-NH1 3.67Å; E405-R408 PolarHBondContact OE1-NH1 3.42Å; A406-R408 PolarHBondContact O-N 3.06Å
409R67.9Low81.5Confident188 Ų18865.7 Ų65.771%0.70931%0.314SS*.THydrogen-bonded Turntrans-90.5-25.6-178.8-69.1175.3-177.2-161.7-1.1112.1E405 A406E405-R409 WeakPolarHBondContact O-CG 3.13Å; A406-R409 PolarHBondContact O-N 3.43Å
410D56.3Low80.4Confident185 Ų18571.1 Ų71.199%0.98934%0.338SS*.  trans-81.80169.2-59-27.8000110.9A406A406-D410 PolarHBondContact O-N 2.64Å

Retrieved 410 of 410 residues in 408.4 ms (Link to these results)

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