A0A3Q0KQA3_SCHMA Loading...

DNA repair endonuclease XPF AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 967 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
1M30.2Very low37.2Very low242 Ų242124.5 Ų124.5100%1.19268%0.676SS**  061.20-73.9-97.4-11300107.3
2E22.9Very low40Very low200 Ų200119.9 Ų119.994%0.93565%0.647SS**  trans-100.4120.9-173.9-66.1165.515000106.2
3G27.9Very low43.4Very low68 Ų68115.8 Ų115.870%0.70162%0.624SS**  trans179.33.4-175.500000118.5
4F29.1Very low46.8Very low217 Ų217107.5 Ų107.595%0.95258%0.58SS**  trans-130.276.6171.1-88.7-88000109.6S6F4-S6 PolarHBondContact O-N 3.15Å
5T27.9Very low49.6Very low134 Ų134109.1 Ų109.182%0.82258%0.582SS**  trans-63.4116165.649.10000108.3K7T5-K7 PolarHBondContact O-N 2.86Å
6S30Very low52.4Low115 Ų115102.3 Ų102.380%0.80455%0.546SS*.  trans-48.893.6174.748.80000112F4 S8F4-S6 PolarHBondContact O-N 3.15Å; S6-S8 PolarHBondContact O-N 3.35Å
7K38.3Very low54.8Low161 Ų16196.3 Ų96.370%0.751%0.514SS*.  trans-63.1115.1157.2-79.6177.8177.51720106.5T5 I9T5-K7 PolarHBondContact O-N 2.86Å; K7-I9 PolarHBondContact O-N 2.95Å
8S40.2Very low56.8Low101 Ų10193.2 Ų93.271%0.70650%0.504SS*.  trans-52.7109.5168.8-52.70000107.8S6 M10S6-S8 PolarHBondContact O-N 3.35Å; S8-M10 PolarHBondContact O-N 3.37Å
9I48.5Very low58.8Low63 Ų6390.1 Ų90.132%0.32349%0.489SS..  trans-78.352.1177.9-75155.4000108.5K7K7-I9 PolarHBondContact O-N 2.95Å
10M52.2Low60.5Low39 Ų3985.6 Ų85.619%0.19247%0.465CS..  trans-129.3106.7-157.4-90.4-95.1-106.700111.1S8 E12 Y44 N77S8-M10 PolarHBondContact O-N 3.37Å; M10-E12 PolarHBondContact O-N 3.37Å; M10-Y44 HydrophobicContact CE-CE1 4.43Å; M10-Y44 WeakPolarHBondContact CE-OH 3.16Å; M10-Y44 HydrophobicContact SD-CE1 3.42Å; M10-Y44 WeakPolarHBondContact SD-CE1 3.3Å; M10-Y44 PolarHBondContact SD-OH 3.19Å; M10-N77 HydrophobicContact CE-CB 3.41Å; M10-N77 VanDerWaalsContact CE-CB 3.41Å; M10-N77 HydrophobicContact CG-CB 4.32Å; M10-N77 WeakPolarHBondContact CG-ND2 3.37Å; M10-N77 WeakPolarHBondContact CG-OD1 3.29Å; M10-N77 HydrophobicContact SD-CB 4.06Å; M10-N77 PolarHBondContact SD-ND2 3.07Å
11Y61.5Low62Low29 Ų2982.6 Ų82.611%0.11445%0.449CS..  trans-23.995.5169.6-54.5-70.2000114L13 T41 Y44 R597Y11-L13 PolarHBondContact O-N 3.21Å; Y11-T41 HydrophobicContact CD1-CG2 3.88Å; Y11-T41 HydrophobicContact CD2-CG2 4.13Å; Y11-T41 HydrophobicContact CG-CG2 3.59Å; Y11-Y44 AromaticContact CD2-CD1 3.99Å; Y11-Y44 HydrophobicContact CD2-CD1 3.99Å; Y11-Y44 HydrophobicContact CD2-CE1 4.49Å; Y11-Y44 HydrophobicContact CE2-CD1 4.48Å; Y11-R597 VanDerWaalsContact CD1-CZ 3.42Å
12E71.2Confident65Low70 Ų7075.8 Ų75.833%0.32742%0.42SS..PPolyproline II helixtrans-58.8119.3151.6-76.2178.4162.900106M10 L14 I600 Q601M10-E12 PolarHBondContact O-N 3.37Å; E12-L14 PolarHBondContact O-N 3.41Å; E12-I600 HydrophobicContact CB-CG2 4.44Å; E12-I600 VanDerWaalsContact OE2-CG2 3.29Å; E12-I600 WeakPolarHBondContact OE2-CG2 3.27Å; E12-Q601 WeakPolarHBondContact OE2-CG 3.33Å
13L84.9Confident68.3Low66 Ų6669.1 Ų69.135%0.34639%0.391SS..PPolyproline II helixtrans-66.2130.3-177.7-78167.8000109.1Y11 E17 L21 T41 N45Y11-L13 PolarHBondContact O-N 3.21Å; L13-E17 HydrophobicContact CD2-CB 3.89Å; L13-L21 HydrophobicContact CD1-CD1 3.73Å; L13-L21 HydrophobicContact CD2-CD1 3.76Å; L13-L21 HydrophobicContact CG-CD1 4.43Å; L13-T41 HydrophobicContact CD2-CG2 4.16Å; L13-N45 VanDerWaalsContact CD2-ND2 3.33Å; L13-N45 WeakPolarHBondContact CD2-ND2 3.49Å
14L90.1Very high71.3Confident0 Ų065.9 Ų65.90%036%0.358CS..PPolyproline II helixtrans-68.2154.3166.5-58.6180000109.4E12 Y16 E17 A18 V593 A596 R597 I600E12-L14 PolarHBondContact O-N 3.41Å; L14-Y16 VanDerWaalsContact C-N 3.29Å; L14-Y16 HydrophobicContact CB-CD1 3.87Å; L14-Y16 HydrophobicContact CB-CE1 3.68Å; L14-Y16 HydrophobicContact CD1-CD1 4.41Å; L14-Y16 HydrophobicContact CD1-CE1 3.45Å; L14-Y16 VanDerWaalsContact CD1-CE1 3.45Å; L14-Y16 HydrophobicContact CG-CE1 4.18Å; L14-Y16 PolarHBondContact O-N 3.49Å; L14-E17 HydrophobicContact CB-CB 4.38Å; L14-E17 HydrophobicContact CB-CG 4.03Å; L14-E17 PolarHBondContact N-OE2 2.86Å; L14-E17 WeakPolarHBondContact O-CA 3.37Å; L14-E17 WeakPolarHBondContact O-CB 3.45Å; L14-E17 PolarHBondContact O-N 2.98Å; L14-A18 PolarHBondContact O-N 3.2Å; L14-V593 HydrophobicContact CD1-CG1 3.95Å; L14-A596 HydrophobicContact CD1-CB 4.15Å; L14-A596 HydrophobicContact CD2-CB 4.05Å; L14-R597 HydrophobicContact CD1-CG 4.4Å; L14-R597 HydrophobicContact CD2-CG 3.86Å; L14-R597 HydrophobicContact CG-CG 4.22Å; L14-I600 HydrophobicContact CD2-CD1 3.39Å
15E89.8Confident74.1Confident131 Ų13160 Ų6061%0.61233%0.333SS*.Hα-helixtrans-55.6-44.7-177.2-173.3-177.8179.900112E17 A18 S19E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 2.81Å; E15-A18 WeakPolarHBondContact O-CB 3.36Å; E15-A18 PolarHBondContact O-N 3.49Å; E15-S19 PolarHBondContact O-N 3.03Å; E15-S19 PolarHBondContact O-OG 3.22Å
16Y93.3Very high76.6Confident1 Ų161.2 Ų61.20%0.00433%0.329CS..Hα-helixtrans-67.6-33.617778.6-95.2000112.4L14 A18 S19 I20 L37 V198 C201L14-Y16 VanDerWaalsContact C-N 3.29Å; L14-Y16 HydrophobicContact CB-CD1 3.87Å; L14-Y16 HydrophobicContact CB-CE1 3.68Å; L14-Y16 HydrophobicContact CD1-CD1 4.41Å; L14-Y16 HydrophobicContact CD1-CE1 3.45Å; L14-Y16 VanDerWaalsContact CD1-CE1 3.45Å; L14-Y16 HydrophobicContact CG-CE1 4.18Å; L14-Y16 PolarHBondContact O-N 3.49Å; Y16-A18 VanDerWaalsContact C-N 3.32Å; Y16-S19 PolarHBondContact O-N 2.92Å; Y16-I20 HydrophobicContact CD2-CD1 3.71Å; Y16-I20 HydrophobicContact CE2-CD1 4.14Å; Y16-I20 WeakPolarHBondContact O-CD1 3.29Å; Y16-I20 WeakPolarHBondContact O-CG1 3.39Å; Y16-I20 PolarHBondContact O-N 3.12Å; Y16-L37 PolarHBondContact OH-O 3.38Å; Y16-V198 HydrophobicContact CD2-CG2 3.84Å; Y16-V198 HydrophobicContact CE2-CG2 4.5Å; Y16-V198 HydrophobicContact CG-CG2 3.87Å; Y16-C201 HydrophobicContact CD1-CB 4.2Å
17E92.7Very high79.2Confident0 Ų059.6 Ų59.60%031%0.309CS..Hα-helixtrans-65.9-38.2175.9-67.2178.2143.100110.7L13 L14 E15 I20 L21 T41 R597L13-E17 HydrophobicContact CD2-CB 3.89Å; L14-E17 HydrophobicContact CB-CB 4.38Å; L14-E17 HydrophobicContact CB-CG 4.03Å; L14-E17 PolarHBondContact N-OE2 2.86Å; L14-E17 WeakPolarHBondContact O-CA 3.37Å; L14-E17 WeakPolarHBondContact O-CB 3.45Å; L14-E17 PolarHBondContact O-N 2.98Å; E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 2.81Å; E17-I20 PolarHBondContact O-N 3.39Å; E17-L21 WeakPolarHBondContact O-CG 3.2Å; E17-L21 PolarHBondContact O-N 3.4Å; E17-L21 VanDerWaalsContact O-N 3.09Å; E17-T41 WeakPolarHBondContact OE1-CB 3.42Å; E17-T41 PolarHBondContact OE1-OG1 3.11Å; E17-R597 IonicContact OE1-CZ 2.82Å; E17-R597 IonicContact OE1-NH2 3.68Å; E17-R597 PolarHBondContact OE1-NH2 3.23Å; E17-R597 IonicContact OE2-NH2 2.75Å
18A92.3Very high81.7Confident41 Ų4153.1 Ų53.134%0.33928%0.284SS..Hα-helixtrans-64-44.6173.900000111.6L14 E15 Y16 I20 L21 V22L14-A18 PolarHBondContact O-N 3.2Å; E15-A18 WeakPolarHBondContact O-CB 3.36Å; E15-A18 PolarHBondContact O-N 3.49Å; Y16-A18 VanDerWaalsContact C-N 3.32Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.3Å; A18-L21 PolarHBondContact O-N 3.26Å; A18-V22 WeakPolarHBondContact O-CG2 3.44Å; A18-V22 PolarHBondContact O-N 3.03Å; A18-V22 VanDerWaalsContact O-N 3.14Å
19S93.6Very high84.2Confident33 Ų3348.3 Ų48.323%0.23125%0.25CS..Hα-helixtrans-57.1-44.9173.7-63.60000112.2E15 Y16 L21 V22 D23 Q197E15-S19 PolarHBondContact O-N 3.03Å; E15-S19 PolarHBondContact O-OG 3.22Å; Y16-S19 PolarHBondContact O-N 2.92Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 2.99Å; S19-V22 PolarHBondContact O-N 2.88Å; S19-D23 PolarHBondContact O-N 2.97Å; S19-Q197 PolarHBondContact OG-OE1 2.71Å
20I93.5Very high86.4Confident0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-60.1-43.2178.1-66.5160.8000111.3Y16 E17 A18 V22 D23 I24 L31 L33 I42 W191Y16-I20 HydrophobicContact CD2-CD1 3.71Å; Y16-I20 HydrophobicContact CE2-CD1 4.14Å; Y16-I20 WeakPolarHBondContact O-CD1 3.29Å; Y16-I20 WeakPolarHBondContact O-CG1 3.39Å; Y16-I20 PolarHBondContact O-N 3.12Å; E17-I20 PolarHBondContact O-N 3.39Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.3Å; I20-V22 VanDerWaalsContact C-N 3.31Å; I20-V22 PolarHBondContact O-N 3.39Å; I20-D23 PolarHBondContact O-N 3.25Å; I20-I24 HydrophobicContact CG2-CD1 3.47Å; I20-I24 VanDerWaalsContact CG2-CD1 3.47Å; I20-I24 HydrophobicContact CG2-CG1 4.34Å; I20-I24 WeakPolarHBondContact O-CD1 3.41Å; I20-I24 VanDerWaalsContact O-CG1 3.3Å; I20-I24 WeakPolarHBondContact O-CG1 3.45Å; I20-I24 PolarHBondContact O-N 3.06Å; I20-I24 VanDerWaalsContact O-N 3.14Å; I20-L31 HydrophobicContact CG2-CD1 3.89Å; I20-L31 HydrophobicContact CG2-CD2 3.95Å; I20-L33 HydrophobicContact CD1-CD2 3.69Å; I20-I42 HydrophobicContact CB-CD1 3.97Å; I20-I42 HydrophobicContact CD1-CD1 3.57Å; I20-I42 HydrophobicContact CG1-CD1 4.33Å; I20-I42 HydrophobicContact CG2-CD1 3.57Å; I20-I42 HydrophobicContact CG2-CG2 4.07Å; I20-W191 HydrophobicContact CD1-CB 4.37Å; I20-W191 HydrophobicContact CD1-CD2 3.83Å; I20-W191 HydrophobicContact CD1-CE3 4.09Å; I20-W191 HydrophobicContact CD1-CG 3.93Å; I20-W191 HydrophobicContact CG1-CD2 3.4Å; I20-W191 HydrophobicContact CG1-CE3 3.93Å; I20-W191 HydrophobicContact CG1-CG 3.69Å; I20-W191 HydrophobicContact CG1-CH2 4.23Å; I20-W191 HydrophobicContact CG1-CZ2 3.74Å; I20-W191 HydrophobicContact CG1-CZ3 4.32Å
21L92.8Very high88.5Confident24 Ų2443.5 Ų43.513%0.12623%0.226CC..Hα-helixtrans-63-38.2179.2-74.3170.5000112.1L13 E17 A18 S19 I24 H25 I42 N45 T46L13-L21 HydrophobicContact CD1-CD1 3.73Å; L13-L21 HydrophobicContact CD2-CD1 3.76Å; L13-L21 HydrophobicContact CG-CD1 4.43Å; E17-L21 WeakPolarHBondContact O-CG 3.2Å; E17-L21 PolarHBondContact O-N 3.4Å; E17-L21 VanDerWaalsContact O-N 3.09Å; A18-L21 PolarHBondContact O-N 3.26Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 2.99Å; L21-I24 PolarHBondContact O-N 3.44Å; L21-H25 WeakPolarHBondContact O-CB 3.41Å; L21-H25 PolarHBondContact O-N 3.08Å; L21-H25 VanDerWaalsContact O-N 3.12Å; L21-I42 HydrophobicContact CD2-CG2 3.83Å; L21-I42 HydrophobicContact CG-CG2 4.44Å; L21-N45 HydrophobicContact CD1-CB 3.77Å; L21-N45 HydrophobicContact CD2-CB 4.08Å; L21-T46 HydrophobicContact CD2-CG2 3.68Å
22V93.1Very high90.1Very high98 Ų9842.1 Ų42.159%0.59422%0.221SC*.Hα-helixtrans-63.9-45.1174.8176.10000110.7A18 S19 I20 I24 H25A18-V22 WeakPolarHBondContact O-CG2 3.44Å; A18-V22 PolarHBondContact O-N 3.03Å; A18-V22 VanDerWaalsContact O-N 3.14Å; S19-V22 PolarHBondContact O-N 2.88Å; I20-V22 VanDerWaalsContact C-N 3.31Å; I20-V22 PolarHBondContact O-N 3.39Å; V22-I24 VanDerWaalsContact C-N 3.26Å; V22-I24 PolarHBondContact O-N 3.45Å; V22-H25 PolarHBondContact O-N 2.98Å
23D90.5Very high91.2Very high60 Ų6038.9 Ų38.932%0.32121%0.205SC..Hα-helixtrans-61.5-32.8-179.4-80.1-20.4000113.9S19 I20 K187 V189 W191S19-D23 PolarHBondContact O-N 2.97Å; I20-D23 PolarHBondContact O-N 3.25Å; D23-K187 PolarHBondContact O-NZ 3.15Å; D23-V189 HydrophobicContact CB-CG1 4.27Å; D23-W191 WeakPolarHBondContact OD2-CZ2 3.43Å
24I91.8Very high91.7Very high1 Ų135.8 Ų35.81%0.00519%0.189CC..Hα-helixtrans-90.7-15.3-177.1-63.9168.2000111.9I20 L21 V22 H26 L31 I42 K160 F162I20-I24 HydrophobicContact CG2-CD1 3.47Å; I20-I24 VanDerWaalsContact CG2-CD1 3.47Å; I20-I24 HydrophobicContact CG2-CG1 4.34Å; I20-I24 WeakPolarHBondContact O-CD1 3.41Å; I20-I24 VanDerWaalsContact O-CG1 3.3Å; I20-I24 WeakPolarHBondContact O-CG1 3.45Å; I20-I24 PolarHBondContact O-N 3.06Å; I20-I24 VanDerWaalsContact O-N 3.14Å; L21-I24 PolarHBondContact O-N 3.44Å; V22-I24 VanDerWaalsContact C-N 3.26Å; V22-I24 PolarHBondContact O-N 3.45Å; I24-H26 PolarHBondContact O-N 3.43Å; I24-L31 HydrophobicContact CD1-CB 3.9Å; I24-L31 HydrophobicContact CD1-CD1 3.91Å; I24-L31 HydrophobicContact CD1-CD2 3.45Å; I24-L31 VanDerWaalsContact CD1-CD2 3.45Å; I24-L31 HydrophobicContact CD1-CG 3.91Å; I24-I42 HydrophobicContact CD1-CG2 4.25Å; I24-K160 HydrophobicContact CG2-CB 4.49Å; I24-K160 HydrophobicContact CG2-CD 3.66Å; I24-K160 HydrophobicContact CG2-CG 4.05Å; I24-K160 WeakPolarHBondContact O-CE 3.41Å; I24-K160 PolarHBondContact O-NZ 3.4Å; I24-F162 HydrophobicContact CD1-CE1 4.27Å
25H87.5Confident91.6Very high94 Ų9438.9 Ų38.944%0.43521%0.206SC..Hα-helixtrans-62.3-51.5-167.5-173.664.6000113.1L21 V22 K160L21-H25 WeakPolarHBondContact O-CB 3.41Å; L21-H25 PolarHBondContact O-N 3.08Å; L21-H25 VanDerWaalsContact O-N 3.12Å; V22-H25 PolarHBondContact O-N 2.98Å; H25-K160 PolarHBondContact O-NZ 3.41Å
26H80.8Confident91.5Very high159 Ų15933 Ų3374%0.73618%0.181SC*.SBendtrans-86.8-40.6-167.2-66.4-70000115.3I24I24-H26 PolarHBondContact O-N 3.43Å
27E83.8Confident91.4Very high81 Ų8133 Ų3338%0.37918%0.181SC..SBendtrans-110149.5-170.6-64.6-168.6154.100112S29 K187E27-S29 PolarHBondContact O-N 3.31Å; E27-S29 PolarHBondContact O-OG 3.25Å; E27-K187 HydrophobicContact CB-CD 4.43Å; E27-K187 WeakPolarHBondContact OE2-CD 3.36Å
28S91.2Very high91.1Very high24 Ų2433.8 Ų33.817%0.16819%0.189CC..  trans-60.1120.1166.8-63.20000109.3I159S28-I159 CarbonylContact C-O 3.45Å; S28-I159 WeakPolarHBondContact CA-O 3.29Å; S28-I159 VanDerWaalsContact CB-O 3.26Å; S28-I159 WeakPolarHBondContact CB-O 3.03Å; S28-I159 PolarHBondContact OG-N 3.5Å
29S93.5Very high91Very high1 Ų132.8 Ų32.81%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-141.4148.4-169.448.20000112.4E27 I159 K160 A161 K187E27-S29 PolarHBondContact O-N 3.31Å; E27-S29 PolarHBondContact O-OG 3.25Å; S29-I159 PolarHBondContact N-O 2.81Å; S29-I159 VanDerWaalsContact N-O 3.1Å; S29-K160 WeakPolarHBondContact O-CA 3.01Å; S29-A161 PolarHBondContact O-N 3.35Å; S29-K187 VanDerWaalsContact CA-O 3.29Å; S29-K187 WeakPolarHBondContact CA-O 3.42Å
30L94.6Very high90.7Very high0 Ų032.1 Ų32.10%017%0.171CC..EExtended strand (participates in β ladder)trans-101.6107.4168.3172.960.2000107.1V32 A134 A161 M180 I185 K187 L188 V189L30-V32 HydrophobicContact CG-CG2 4.27Å; L30-A134 HydrophobicContact CD1-CB 3.8Å; L30-A161 CarbonylContact C-O 3.55Å; L30-A161 WeakPolarHBondContact CA-O 3.25Å; L30-A161 HydrophobicContact CD1-CB 3.63Å; L30-M180 HydrophobicContact CB-CG 4.45Å; L30-M180 HydrophobicContact CD2-CG 3.73Å; L30-M180 HydrophobicContact CD2-SD 4.42Å; L30-I185 HydrophobicContact CB-CD1 4.34Å; L30-I185 HydrophobicContact CB-CG2 4.16Å; L30-K187 PolarHBondContact N-O 2.84Å; L30-L188 HydrophobicContact CB-CD1 4.14Å; L30-L188 HydrophobicContact CD2-CD1 3.87Å; L30-L188 HydrophobicContact CG-CD1 3.92Å; L30-V189 PolarHBondContact O-N 3.27Å
31L95.5Very high90.5Very high1 Ų132.2 Ų32.21%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-86.2123.6174.3178.366.6000109.8I20 I24 L33 M39 I42 A161 F162 S163 V189I20-L31 HydrophobicContact CG2-CD1 3.89Å; I20-L31 HydrophobicContact CG2-CD2 3.95Å; I24-L31 HydrophobicContact CD1-CB 3.9Å; I24-L31 HydrophobicContact CD1-CD1 3.91Å; I24-L31 HydrophobicContact CD1-CD2 3.45Å; I24-L31 VanDerWaalsContact CD1-CD2 3.45Å; I24-L31 HydrophobicContact CD1-CG 3.91Å; L31-L33 HydrophobicContact CD1-CD2 4.34Å; L31-L33 HydrophobicContact CD1-CG 4.24Å; L31-L33 HydrophobicContact CD2-CD1 3.75Å; L31-L33 HydrophobicContact CD2-CD2 4.49Å; L31-L33 HydrophobicContact CD2-CG 3.85Å; L31-L33 HydrophobicContact CG-CD1 4.43Å; L31-L33 HydrophobicContact CG-CG 4Å; L31-M39 HydrophobicContact CD2-CE 4.19Å; L31-M39 HydrophobicContact CD2-SD 4.01Å; L31-I42 HydrophobicContact CD2-CD1 4.41Å; L31-I42 HydrophobicContact CD2-CG2 4.18Å; L31-A161 PolarHBondContact N-O 3.25Å; L31-F162 HydrophobicContact CB-CD1 4.09Å; L31-F162 HydrophobicContact CD2-CD1 3.7Å; L31-F162 HydrophobicContact CD2-CE1 4Å; L31-F162 HydrophobicContact CG-CD1 4.48Å; L31-S163 PolarHBondContact O-N 3.23Å; L31-V189 WeakPolarHBondContact CA-O 3.23Å; L31-V189 HydrophobicContact CD1-CB 4.18Å; L31-V189 HydrophobicContact CD1-CG1 3.79Å
32V95.7Very high90.5Very high0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-115108.6169.5-170.80000108.9L30 S163 L169 L188 V189 L190 W191 F649 L652L30-V32 HydrophobicContact CG-CG2 4.27Å; V32-S163 WeakPolarHBondContact CA-O 3.42Å; V32-L169 HydrophobicContact CB-CD1 4.37Å; V32-L169 HydrophobicContact CG1-CD1 3.9Å; V32-L169 HydrophobicContact CG2-CD1 3.51Å; V32-L188 HydrophobicContact CG2-CD1 3.99Å; V32-V189 PolarHBondContact N-O 3.46Å; V32-L190 HydrophobicContact CB-CD2 3.71Å; V32-L190 HydrophobicContact CG1-CD2 4.49Å; V32-L190 HydrophobicContact CG2-CD2 3.86Å; V32-W191 PolarHBondContact O-N 2.85Å; V32-F649 HydrophobicContact CG1-CE1 3.97Å; V32-F649 HydrophobicContact CG1-CZ 4.3Å; V32-L652 HydrophobicContact CG1-CD1 4.17Å
33L95Very high90.5Very high1 Ų126.6 Ų26.61%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-98.3151.3173.1-70.7166.8000110.4I20 L31 M39 I42 S163 D164 W191I20-L33 HydrophobicContact CD1-CD2 3.69Å; L31-L33 HydrophobicContact CD1-CD2 4.34Å; L31-L33 HydrophobicContact CD1-CG 4.24Å; L31-L33 HydrophobicContact CD2-CD1 3.75Å; L31-L33 HydrophobicContact CD2-CD2 4.49Å; L31-L33 HydrophobicContact CD2-CG 3.85Å; L31-L33 HydrophobicContact CG-CD1 4.43Å; L31-L33 HydrophobicContact CG-CG 4Å; L33-M39 HydrophobicContact CB-CE 3.84Å; L33-M39 HydrophobicContact CD1-CB 3.9Å; L33-M39 HydrophobicContact CD1-CE 3.43Å; L33-M39 VanDerWaalsContact CD1-CE 3.43Å; L33-M39 HydrophobicContact CD1-CG 4.27Å; L33-M39 HydrophobicContact CD1-SD 3.43Å; L33-M39 WeakPolarHBondContact CD1-SD 3.33Å; L33-M39 HydrophobicContact CG-CE 3.82Å; L33-M39 HydrophobicContact CG-SD 4.41Å; L33-I42 HydrophobicContact CD1-CD1 3.57Å; L33-I42 HydrophobicContact CD2-CD1 4.28Å; L33-S163 PolarHBondContact N-O 3.4Å; L33-D164 CarbonylContact O-C 3.48Å; L33-D164 WeakPolarHBondContact O-CA 3.33Å; L33-W191 HydrophobicContact CD2-CB 3.4Å; L33-W191 VanDerWaalsContact CD2-CB 3.4Å; L33-W191 HydrophobicContact CD2-CG 4.15Å
34A93.6Very high90.5Very high1 Ų123.8 Ų23.81%0.00812%0.123CC..PPolyproline II helixtrans-67.1137.7164.200000109.8G36 L37 W191 R193 F649A34-G36 PolarHBondContact O-N 3.1Å; A34-L37 HydrophobicContact CB-CD1 3.7Å; A34-L37 HydrophobicContact CB-CG 4.15Å; A34-L37 WeakPolarHBondContact O-CB 3.34Å; A34-L37 PolarHBondContact O-N 2.86Å; A34-W191 PolarHBondContact N-O 3.15Å; A34-W191 VanDerWaalsContact N-O 3.15Å; A34-R193 HydrophobicContact CB-CB 4.37Å; A34-F649 HydrophobicContact CB-CE2 3.85Å; A34-F649 HydrophobicContact CB-CZ 3.94Å
35D89.9Confident90.4Very high65 Ų6524.4 Ų24.435%0.34813%0.127SC..THydrogen-bonded Turntrans-53.4136.3-179.5-171.28.1000110.9D164 S586 R589D35-D164 PolarHBondContact N-O 2.88Å; D35-S586 WeakPolarHBondContact OD2-CB 3.44Å; D35-R589 WeakPolarHBondContact O-CD 3.38Å; D35-R589 PolarHBondContact O-NH1 3.28Å
36G86.3Confident90.6Very high8 Ų820.1 Ų20.18%0.08211%0.107CC..THydrogen-bonded Turntrans81.61.8-178.600000117.3A34 G38 R589 E590A34-G36 PolarHBondContact O-N 3.1Å; G36-G38 VanDerWaalsContact C-N 3.3Å; G36-G38 PolarHBondContact O-N 3.43Å; G36-R589 CarbonylContact O-C 3.46Å; G36-E590 PolarHBondContact O-N 3.29Å
37L90.9Very high91.1Very high1 Ų112.6 Ų12.61%0.0057%0.072CC..SBendtrans-83.411.1177.6-74.1-175.8000115.7Y16 A34 V198 L202Y16-L37 PolarHBondContact OH-O 3.38Å; A34-L37 HydrophobicContact CB-CD1 3.7Å; A34-L37 HydrophobicContact CB-CG 4.15Å; A34-L37 WeakPolarHBondContact O-CB 3.34Å; A34-L37 PolarHBondContact O-N 2.86Å; L37-V198 HydrophobicContact CD1-CG1 4.29Å; L37-V198 HydrophobicContact CD2-CG1 3.99Å; L37-L202 HydrophobicContact CD2-CD1 4.32Å
38G86.8Confident91.4Very high16 Ų1614.8 Ų14.817%0.1658%0.077CC..  trans9136.3175.800000115.8G36 D40 T41 I42G36-G38 VanDerWaalsContact C-N 3.3Å; G36-G38 PolarHBondContact O-N 3.43Å; G38-D40 PolarHBondContact O-N 3.26Å; G38-T41 WeakPolarHBondContact O-CB 3.44Å; G38-T41 PolarHBondContact O-N 2.78Å; G38-T41 PolarHBondContact O-OG1 3.47Å; G38-T41 VanDerWaalsContact O-OG1 3.08Å; G38-I42 PolarHBondContact O-N 3.38Å
39M90.4Very high91.2Very high21 Ų2118.8 Ų18.810%0.10310%0.096CC..Hα-helixtrans-49.9-43.1175.4-17962.88600113.2L31 L33 T41 I42 I43 F162 S163L31-M39 HydrophobicContact CD2-CE 4.19Å; L31-M39 HydrophobicContact CD2-SD 4.01Å; L33-M39 HydrophobicContact CB-CE 3.84Å; L33-M39 HydrophobicContact CD1-CB 3.9Å; L33-M39 HydrophobicContact CD1-CE 3.43Å; L33-M39 VanDerWaalsContact CD1-CE 3.43Å; L33-M39 HydrophobicContact CD1-CG 4.27Å; L33-M39 HydrophobicContact CD1-SD 3.43Å; L33-M39 WeakPolarHBondContact CD1-SD 3.33Å; L33-M39 HydrophobicContact CG-CE 3.82Å; L33-M39 HydrophobicContact CG-SD 4.41Å; M39-T41 PolarHBondContact O-N 2.76Å; M39-I42 PolarHBondContact O-N 2.94Å; M39-I43 HydrophobicContact CG-CD1 3.67Å; M39-I43 HydrophobicContact CG-CG1 4.26Å; M39-I43 WeakPolarHBondContact O-CG1 3.47Å; M39-I43 PolarHBondContact O-N 2.89Å; M39-I43 HydrophobicContact SD-CD1 4.2Å; M39-I43 HydrophobicContact SD-CG1 4.26Å; M39-F162 HydrophobicContact CE-CB 4.09Å; M39-F162 HydrophobicContact SD-CB 3.89Å; M39-F162 HydrophobicContact SD-CD1 3.74Å; M39-F162 HydrophobicContact SD-CG 4.2Å; M39-S163 VanDerWaalsContact CE-C 3.43Å; M39-S163 WeakPolarHBondContact CE-O 3.32Å
40D88.1Confident91Very high19 Ų1919.8 Ų19.810%0.10210%0.101CC..Hα-helixtrans-57-36.6179.5-69.4-17.4000112.1G38 I42 Y44 R565G38-D40 PolarHBondContact O-N 3.26Å; D40-I42 VanDerWaalsContact C-N 3.34Å; D40-Y44 WeakPolarHBondContact O-CB 2.79Å; D40-Y44 PolarHBondContact O-N 2.88Å; D40-R565 IonicContact OD1-CZ 3.64Å; D40-R565 IonicContact OD1-NE 3.69Å; D40-R565 IonicContact OD1-NH2 3.71Å; D40-R565 PolarHBondContact OD1-NH2 3.4Å; D40-R565 WeakPolarHBondContact OD2-CD 3.41Å; D40-R565 IonicContact OD2-CZ 3.73Å; D40-R565 IonicContact OD2-NE 3.45Å; D40-R565 PolarHBondContact OD2-NE 3.09Å; D40-R565 IonicContact OD2-NH2 3.54Å
41T89.2Confident90.5Very high2 Ų220.5 Ų20.51%0.01211%0.106CC..Hα-helixtrans-64-41.8177.2-39.20000111.5Y11 L13 E17 G38 M39 N45 R597Y11-T41 HydrophobicContact CD1-CG2 3.88Å; Y11-T41 HydrophobicContact CD2-CG2 4.13Å; Y11-T41 HydrophobicContact CG-CG2 3.59Å; L13-T41 HydrophobicContact CD2-CG2 4.16Å; E17-T41 WeakPolarHBondContact OE1-CB 3.42Å; E17-T41 PolarHBondContact OE1-OG1 3.11Å; G38-T41 WeakPolarHBondContact O-CB 3.44Å; G38-T41 PolarHBondContact O-N 2.78Å; G38-T41 PolarHBondContact O-OG1 3.47Å; G38-T41 VanDerWaalsContact O-OG1 3.08Å; M39-T41 PolarHBondContact O-N 2.76Å; T41-N45 WeakPolarHBondContact O-CB 3.29Å; T41-N45 PolarHBondContact O-N 3.41Å; T41-N45 PolarHBondContact O-ND2 2.99Å; T41-R597 PolarHBondContact OG1-NH2 2.74Å
42I92.4Very high90.1Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-70-47.6-178.1-54.6-170.7000108.8I20 L21 I24 L31 L33 G38 M39 D40 Y44 N45 T46 F162I20-I42 HydrophobicContact CB-CD1 3.97Å; I20-I42 HydrophobicContact CD1-CD1 3.57Å; I20-I42 HydrophobicContact CG1-CD1 4.33Å; I20-I42 HydrophobicContact CG2-CD1 3.57Å; I20-I42 HydrophobicContact CG2-CG2 4.07Å; L21-I42 HydrophobicContact CD2-CG2 3.83Å; L21-I42 HydrophobicContact CG-CG2 4.44Å; I24-I42 HydrophobicContact CD1-CG2 4.25Å; L31-I42 HydrophobicContact CD2-CD1 4.41Å; L31-I42 HydrophobicContact CD2-CG2 4.18Å; L33-I42 HydrophobicContact CD1-CD1 3.57Å; L33-I42 HydrophobicContact CD2-CD1 4.28Å; G38-I42 PolarHBondContact O-N 3.38Å; M39-I42 PolarHBondContact O-N 2.94Å; D40-I42 VanDerWaalsContact C-N 3.34Å; I42-Y44 PolarHBondContact O-N 3.14Å; I42-N45 PolarHBondContact O-N 3.13Å; I42-T46 WeakPolarHBondContact O-CG2 3.36Å; I42-T46 PolarHBondContact O-N 3.18Å; I42-T46 PolarHBondContact O-OG1 3.19Å; I42-F162 HydrophobicContact CG2-CE1 4.31Å
43I92.4Very high89.5Confident4 Ų425.9 Ų25.92%0.02114%0.137CC..Hα-helixtrans-57.1-50.9174.5-64.7165.2000109.8M39 N45 T46 L47 L70 L132 F162M39-I43 HydrophobicContact CG-CD1 3.67Å; M39-I43 HydrophobicContact CG-CG1 4.26Å; M39-I43 WeakPolarHBondContact O-CG1 3.47Å; M39-I43 PolarHBondContact O-N 2.89Å; M39-I43 HydrophobicContact SD-CD1 4.2Å; M39-I43 HydrophobicContact SD-CG1 4.26Å; I43-N45 VanDerWaalsContact C-N 3.34Å; I43-N45 PolarHBondContact O-N 2.78Å; I43-T46 WeakPolarHBondContact CA-OG1 3.49Å; I43-T46 PolarHBondContact O-N 3Å; I43-T46 VanDerWaalsContact O-N 3.15Å; I43-T46 PolarHBondContact O-OG1 3.19Å; I43-L47 HydrophobicContact CG2-CD1 3.92Å; I43-L47 HydrophobicContact CG2-CG 4.17Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 2.87Å; I43-L70 HydrophobicContact CG2-CD1 3.71Å; I43-L70 HydrophobicContact CG2-CD2 4.39Å; I43-L132 HydrophobicContact CD1-CD1 4.5Å; I43-L132 HydrophobicContact CD1-CD2 3.65Å; I43-L132 HydrophobicContact CG1-CD2 4.04Å; I43-L132 HydrophobicContact CG2-CD2 4.15Å; I43-F162 HydrophobicContact CG1-CD1 4.2Å; I43-F162 HydrophobicContact CG1-CD2 4.31Å; I43-F162 HydrophobicContact CG1-CE1 4.43Å; I43-F162 HydrophobicContact CG1-CG 4.14Å
44Y91Very high89.1Confident1 Ų133.6 Ų33.60%0.00417%0.172CC..Hα-helixtrans-53.3-48.8178.7172-99.5000112.5M10 Y11 D40 I42 L47 R48 I73 L74 N77M10-Y44 HydrophobicContact CE-CE1 4.43Å; M10-Y44 WeakPolarHBondContact CE-OH 3.16Å; M10-Y44 HydrophobicContact SD-CE1 3.42Å; M10-Y44 WeakPolarHBondContact SD-CE1 3.3Å; M10-Y44 PolarHBondContact SD-OH 3.19Å; Y11-Y44 AromaticContact CD2-CD1 3.99Å; Y11-Y44 HydrophobicContact CD2-CD1 3.99Å; Y11-Y44 HydrophobicContact CD2-CE1 4.49Å; Y11-Y44 HydrophobicContact CE2-CD1 4.48Å; D40-Y44 WeakPolarHBondContact O-CB 2.79Å; D40-Y44 PolarHBondContact O-N 2.88Å; I42-Y44 PolarHBondContact O-N 3.14Å; Y44-L47 PolarHBondContact O-N 3.25Å; Y44-R48 WeakPolarHBondContact O-CB 3.47Å; Y44-R48 PolarHBondContact O-N 3.44Å; Y44-I73 HydrophobicContact CD2-CB 4.38Å; Y44-I73 HydrophobicContact CD2-CG2 3.74Å; Y44-I73 HydrophobicContact CE2-CB 4.21Å; Y44-I73 HydrophobicContact CE2-CG2 3.4Å; Y44-L74 HydrophobicContact CD2-CD2 3.84Å; Y44-L74 HydrophobicContact CD2-CG 4.08Å; Y44-L74 HydrophobicContact CE2-CD2 3.33Å; Y44-L74 HydrophobicContact CE2-CG 3.71Å; Y44-N77 PolarHBondContact OH-ND2 3.33Å
45N90.3Very high88.9Confident14 Ų1436 Ų368%0.07519%0.186CC..Hα-helixtrans-68.6-36.5180-76.5-62.7000112.3L13 L21 T41 I42 I43 R48 L49L13-N45 VanDerWaalsContact CD2-ND2 3.33Å; L13-N45 WeakPolarHBondContact CD2-ND2 3.49Å; L21-N45 HydrophobicContact CD1-CB 3.77Å; L21-N45 HydrophobicContact CD2-CB 4.08Å; T41-N45 WeakPolarHBondContact O-CB 3.29Å; T41-N45 PolarHBondContact O-N 3.41Å; T41-N45 PolarHBondContact O-ND2 2.99Å; I42-N45 PolarHBondContact O-N 3.13Å; I43-N45 VanDerWaalsContact C-N 3.34Å; I43-N45 PolarHBondContact O-N 2.78Å; N45-R48 PolarHBondContact O-N 3.45Å; N45-L49 VanDerWaalsContact O-CG 3.3Å; N45-L49 WeakPolarHBondContact O-CG 3.34Å; N45-L49 PolarHBondContact O-N 3.14Å
46T91.3Very high89Confident4 Ų433.1 Ų33.13%0.02517%0.17CC..Hα-helixtrans-63.7-41.5172.461.50000112.2L21 I42 I43 L49 H50 F162L21-T46 HydrophobicContact CD2-CG2 3.68Å; I42-T46 WeakPolarHBondContact O-CG2 3.36Å; I42-T46 PolarHBondContact O-N 3.18Å; I42-T46 PolarHBondContact O-OG1 3.19Å; I43-T46 WeakPolarHBondContact CA-OG1 3.49Å; I43-T46 PolarHBondContact O-N 3Å; I43-T46 VanDerWaalsContact O-N 3.15Å; I43-T46 PolarHBondContact O-OG1 3.19Å; T46-L49 PolarHBondContact O-N 2.89Å; T46-H50 PolarHBondContact O-CD2 3.32Å; T46-H50 PolarHBondContact O-N 3.04Å; T46-F162 HydrophobicContact CG2-CZ 4.25Å
47L91.3Very high89.3Confident0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-63.7-44.4175.3-68.4180000111.3I43 Y44 L49 H50 S51 V59 L70 L74 V104 F106 L130I43-L47 HydrophobicContact CG2-CD1 3.92Å; I43-L47 HydrophobicContact CG2-CG 4.17Å; I43-L47 WeakPolarHBondContact O-CG 3.46Å; I43-L47 PolarHBondContact O-N 2.87Å; Y44-L47 PolarHBondContact O-N 3.25Å; L47-L49 VanDerWaalsContact C-N 3.31Å; L47-L49 PolarHBondContact O-N 3.37Å; L47-H50 CarbonylContact O-C 3.55Å; L47-H50 PolarHBondContact O-N 3.2Å; L47-H50 VanDerWaalsContact O-N 3.08Å; L47-S51 WeakPolarHBondContact O-CB 3.5Å; L47-S51 PolarHBondContact O-N 3.11Å; L47-S51 PolarHBondContact O-OG 3.23Å; L47-V59 HydrophobicContact CD2-CG2 3.75Å; L47-L70 HydrophobicContact CD1-CB 4.17Å; L47-L70 HydrophobicContact CD1-CD1 4.05Å; L47-L74 HydrophobicContact CB-CD1 4.1Å; L47-L74 HydrophobicContact CB-CD2 4.42Å; L47-L74 HydrophobicContact CD1-CD1 4.19Å; L47-V104 HydrophobicContact CB-CG2 4.46Å; L47-V104 HydrophobicContact CD2-CG1 3.67Å; L47-V104 HydrophobicContact CD2-CG2 3.99Å; L47-F106 HydrophobicContact CD1-CZ 3.93Å; L47-L130 HydrophobicContact CD2-CD1 3.41Å; L47-L130 VanDerWaalsContact CD2-CD1 3.41Å; L47-L130 HydrophobicContact CG-CD1 4.32Å
48R89.7Confident89.5Confident127 Ų12732.7 Ų32.748%0.47917%0.166SC..Hα-helixtrans-58-42.4177.4-177.6179.1179.7-167.50.2111.9Y44 N45 H50 S51 L74 I79Y44-R48 WeakPolarHBondContact O-CB 3.47Å; Y44-R48 PolarHBondContact O-N 3.44Å; N45-R48 PolarHBondContact O-N 3.45Å; R48-H50 VanDerWaalsContact C-N 3.27Å; R48-H50 PolarHBondContact O-N 2.97Å; R48-S51 PolarHBondContact O-N 3.46Å; R48-L74 HydrophobicContact CB-CD2 4.18Å; R48-I79 HydrophobicContact CB-CD1 4.5Å; R48-I79 HydrophobicContact CG-CD1 4.15Å
49L88Confident89.9Confident108 Ų10832 Ų3257%0.56516%0.158SC*.Hα-helixtrans-63.5-32.2176.5-71.6170.7000112.9N45 T46 L47N45-L49 VanDerWaalsContact O-CG 3.3Å; N45-L49 WeakPolarHBondContact O-CG 3.34Å; N45-L49 PolarHBondContact O-N 3.14Å; T46-L49 PolarHBondContact O-N 2.89Å; L47-L49 VanDerWaalsContact C-N 3.31Å; L47-L49 PolarHBondContact O-N 3.37Å
50H88Confident90.1Very high23 Ų2331 Ų3111%0.10615%0.153CC..THydrogen-bonded Turntrans-99.76.7-178.2-66.1-62.7000114.2T46 L47 R48 D52 V57 F158T46-H50 PolarHBondContact O-CD2 3.32Å; T46-H50 PolarHBondContact O-N 3.04Å; L47-H50 CarbonylContact O-C 3.55Å; L47-H50 PolarHBondContact O-N 3.2Å; L47-H50 VanDerWaalsContact O-N 3.08Å; R48-H50 VanDerWaalsContact C-N 3.27Å; R48-H50 PolarHBondContact O-N 2.97Å; H50-D52 PolarHBondContact O-N 2.85Å; H50-V57 HydrophobicContact CB-CB 4.34Å; H50-V57 HydrophobicContact CB-CG2 3.67Å; H50-F158 AromaticContact CE1-CE1 3.89Å; H50-F158 AromaticContact CE1-CZ 3.43Å; H50-F158 VanDerWaalsContact CE1-CZ 3.43Å; H50-F158 WeakPolarHBondContact CE1-CZ 2.93Å; H50-F158 AromaticContact ND1-CZ 3.89Å; H50-F158 AromaticContact NE2-CE2 3.88Å; H50-F158 AromaticContact NE2-CZ 3.54Å
51S85.6Confident90.3Very high15 Ų1531.6 Ų31.611%0.10516%0.156CC..  trans-79.738.4-178.7-64.90000113.6L47 R48L47-S51 WeakPolarHBondContact O-CB 3.5Å; L47-S51 PolarHBondContact O-N 3.11Å; L47-S51 PolarHBondContact O-OG 3.23Å; R48-S51 PolarHBondContact O-N 3.46Å
52D86Confident90.4Very high65 Ų6532.9 Ų32.935%0.34816%0.161SC..  trans-97.5135.9176.9-173.4-32.7000109.2H50 H54 N55H50-D52 PolarHBondContact O-N 2.85Å; D52-H54 PolarHBondContact O-N 3.2Å; D52-H54 VanDerWaalsContact O-N 3.16Å; D52-H54 WeakPolarHBondContact OD1-CB 3.25Å; D52-H54 IonicContact OD1-CD2 2.72Å; D52-H54 PolarHBondContact OD1-CD2 2.89Å; D52-H54 VanDerWaalsContact OD1-CD2 3.23Å; D52-H54 IonicContact OD1-CG 3.67Å; D52-H54 PolarHBondContact OD1-N 3.48Å; D52-N55 PolarHBondContact O-N 3.21Å
53P84Confident90.2Very high49 Ų4940 Ų4032%0.31819%0.188SC..THydrogen-bonded Turntrans-57.3-24.3175.324.2-36.3000114.4N55 H81P53-N55 VanDerWaalsContact C-N 3.31Å; P53-H81 VanDerWaalsContact CD-CD2 3.47Å; P53-H81 WeakPolarHBondContact CD-CD2 3.34Å; P53-H81 WeakPolarHBondContact CG-NE2 3.25Å
54H86.1Confident89.8Confident162 Ų16241.4 Ų41.475%0.7520%0.195SC*.THydrogen-bonded Turntrans-76.7-18.5177.3-64.2-59.1000113.6D52D52-H54 PolarHBondContact O-N 3.2Å; D52-H54 VanDerWaalsContact O-N 3.16Å; D52-H54 WeakPolarHBondContact OD1-CB 3.25Å; D52-H54 IonicContact OD1-CD2 2.72Å; D52-H54 PolarHBondContact OD1-CD2 2.89Å; D52-H54 VanDerWaalsContact OD1-CD2 3.23Å; D52-H54 IonicContact OD1-CG 3.67Å; D52-H54 PolarHBondContact OD1-N 3.48Å
55N88.9Confident89.4Confident53 Ų5342.5 Ų42.528%0.28320%0.203SC..  trans-102.6138.5178.3-67.9-38.7000109.6D52 P53 G103 S127D52-N55 PolarHBondContact O-N 3.21Å; P53-N55 VanDerWaalsContact C-N 3.31Å; N55-G103 VanDerWaalsContact O-CA 3.28Å; N55-G103 WeakPolarHBondContact O-CA 3.39Å; N55-G103 PolarHBondContact O-N 3.03Å; N55-S127 WeakPolarHBondContact CA-OG 3.4Å; N55-S127 PolarHBondContact OD1-OG 2.96Å
56L92.3Very high89.2Confident3 Ų342.5 Ų42.52%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-113.8109.8168.8176.262.9000108.5L58 G103 V105 M121 L125 V126 S127L56-L58 HydrophobicContact CD1-CD2 4.25Å; L56-L58 HydrophobicContact CG-CD2 4.34Å; L56-G103 WeakPolarHBondContact CA-O 3.47Å; L56-V105 HydrophobicContact CD1-CG2 3.73Å; L56-M121 HydrophobicContact CD2-CG 4.45Å; L56-M121 HydrophobicContact CD2-SD 4.37Å; L56-L125 WeakPolarHBondContact CB-O 3.4Å; L56-V126 HydrophobicContact CD2-CG2 3.87Å; L56-V126 HydrophobicContact CG-CG2 4.44Å; L56-S127 PolarHBondContact N-OG 3.38Å; L56-S127 VanDerWaalsContact N-OG 3.15Å; L56-S127 PolarHBondContact O-N 3.5Å
57V93.8Very high89Confident0 Ų042.3 Ų42.30%020%0.201CC..EExtended strand (participates in β ladder)trans-113.9122.4177.9175.90000110H50 G103 V104 V105 G128 L130 F158H50-V57 HydrophobicContact CB-CB 4.34Å; H50-V57 HydrophobicContact CB-CG2 3.67Å; V57-G103 PolarHBondContact N-O 3.14Å; V57-V104 WeakPolarHBondContact O-CA 3.37Å; V57-V105 PolarHBondContact O-N 3.35Å; V57-G128 WeakPolarHBondContact CA-O 3.3Å; V57-L130 HydrophobicContact CG1-CD1 3.91Å; V57-L130 HydrophobicContact CG1-CD2 4.47Å; V57-L130 HydrophobicContact CG1-CG 3.68Å; V57-F158 HydrophobicContact CG2-CZ 3.99Å
58L94.9Very high88.7Confident0 Ų046.3 Ų46.30%022%0.216CC..EExtended strand (participates in β ladder)trans-94.6129.8-179.3-55.9174.3000109.6L56 Y99 V105 L112 M121 V126 G128 V129 L130 L150L56-L58 HydrophobicContact CD1-CD2 4.25Å; L56-L58 HydrophobicContact CG-CD2 4.34Å; L58-Y99 HydrophobicContact CD2-CD1 4.36Å; L58-Y99 HydrophobicContact CD2-CE1 4.04Å; L58-V105 WeakPolarHBondContact CA-O 3.23Å; L58-V105 HydrophobicContact CD2-CB 4.31Å; L58-L112 HydrophobicContact CD1-CD1 3.91Å; L58-L112 HydrophobicContact CD1-CD2 4.18Å; L58-M121 HydrophobicContact CD1-CE 3.85Å; L58-M121 HydrophobicContact CD1-SD 3.79Å; L58-M121 HydrophobicContact CD2-SD 3.95Å; L58-M121 HydrophobicContact CG-SD 4.46Å; L58-V126 HydrophobicContact CD1-CG1 3.89Å; L58-V126 HydrophobicContact CD1-CG2 4.24Å; L58-V126 HydrophobicContact CG-CG1 4.13Å; L58-G128 PolarHBondContact N-O 3.4Å; L58-G128 VanDerWaalsContact N-O 3.11Å; L58-V129 HydrophobicContact CB-CG2 4.35Å; L58-V129 HydrophobicContact CD1-CG2 4.45Å; L58-V129 CarbonylContact O-C 3.4Å; L58-V129 WeakPolarHBondContact O-CA 3.47Å; L58-L130 PolarHBondContact O-N 3.43Å; L58-L150 HydrophobicContact CD1-CD1 4.36Å
59V95.3Very high88.4Confident1 Ų140.3 Ų40.31%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-107.1118.2173.7-171.90000108.9L47 Y62 V104 V105 F106 V107 L130 L132L47-V59 HydrophobicContact CD2-CG2 3.75Å; V59-Y62 WeakPolarHBondContact O-CD1 3.27Å; V59-Y62 WeakPolarHBondContact O-CE1 3.24Å; V59-V104 HydrophobicContact CG2-CG1 3.84Å; V59-V105 PolarHBondContact N-O 3.11Å; V59-F106 HydrophobicContact CB-CD1 3.6Å; V59-F106 HydrophobicContact CB-CE1 3.86Å; V59-F106 HydrophobicContact CB-CG 4.2Å; V59-F106 HydrophobicContact CG1-CD1 3.64Å; V59-F106 HydrophobicContact CG1-CE1 3.62Å; V59-F106 HydrophobicContact CG2-CD1 4.19Å; V59-F106 HydrophobicContact CG2-CE1 4.07Å; V59-F106 HydrophobicContact CG2-CZ 4.4Å; V59-V107 PolarHBondContact O-N 3.19Å; V59-L130 WeakPolarHBondContact CA-O 3.38Å; V59-L130 HydrophobicContact CG2-CB 4.34Å; V59-L130 HydrophobicContact CG2-CD1 4.39Å; V59-L132 HydrophobicContact CG1-CD1 4.02Å; V59-L132 HydrophobicContact CG1-CG 3.94Å
60S93.5Very high88.4Confident0 Ų035.2 Ų35.20%017%0.167CC..EExtended strand (participates in β ladder)trans-115.6168.2179.8-1630000112.1Y62 S109 L130 L132 D143S60-Y62 PolarHBondContact O-N 3.49Å; S60-S109 PolarHBondContact OG-OG 3.49Å; S60-S109 VanDerWaalsContact OG-OG 3.11Å; S60-L130 PolarHBondContact N-O 3.15Å; S60-L132 PolarHBondContact O-N 3.09Å; S60-L132 VanDerWaalsContact O-N 3.08Å; S60-D143 WeakPolarHBondContact CB-OD1 3.33Å; S60-D143 PolarHBondContact OG-OD1 3.24Å
61N92.4Very high88.3Confident32 Ų3234.4 Ų34.417%0.17116%0.164CC..SBendtrans48.949.7-179.5-165.836.8000114I131 L132 R133N61-I131 HydrophobicContact CB-CG2 4.31Å; N61-L132 WeakPolarHBondContact CB-O 3.45Å; N61-L132 PolarHBondContact ND2-O 3.22Å; N61-L132 CarbonylContact O-C 3.6Å; N61-L132 WeakPolarHBondContact O-CB 3.26Å; N61-R133 VanDerWaalsContact C-NH2 3.28Å; N61-R133 PolarHBondContact ND2-O 3.49Å; N61-R133 VanDerWaalsContact O-CZ 3.3Å; N61-R133 PolarHBondContact O-NH2 2.85Å
62Y91.1Very high88.2Confident30 Ų3033.8 Ų33.812%0.11816%0.16CC..  trans-108.8161.3178.365.5-89.6000111.8V59 S60 A67 F106 V107 R133V59-Y62 WeakPolarHBondContact O-CD1 3.27Å; V59-Y62 WeakPolarHBondContact O-CE1 3.24Å; S60-Y62 PolarHBondContact O-N 3.49Å; Y62-A67 HydrophobicContact CD2-CB 3.31Å; Y62-A67 HydrophobicContact CE2-CB 3.51Å; Y62-A67 HydrophobicContact CG-CB 4.13Å; Y62-F106 HydrophobicContact CD1-CB 4.28Å; Y62-F106 AromaticContact CD1-CD1 3.96Å; Y62-F106 HydrophobicContact CD1-CD1 3.96Å; Y62-F106 HydrophobicContact CD2-CD1 4.27Å; Y62-F106 HydrophobicContact CE1-CB 3.73Å; Y62-F106 HydrophobicContact CE1-CD1 4.27Å; Y62-F106 HydrophobicContact CE2-CB 4.17Å; Y62-F106 AromaticContact CG-CD1 3.96Å; Y62-F106 HydrophobicContact CG-CD1 3.96Å; Y62-F106 PolarHBondContact OH-O 3.1Å; Y62-V107 VanDerWaalsContact CE1-N 3.33Å; Y62-R133 PolarHBondContact O-NH2 2.93Å
63R87.6Confident87.9Confident149 Ų14931 Ų3156%0.56215%0.145SC*.  trans-94.2143.7170.5-77.7172.2-167.1-176.17109E66 A67 E136R63-E66 HydrophobicContact CB-CB 4.25Å; R63-E66 PolarHBondContact N-OE2 2.87Å; R63-E66 VanDerWaalsContact N-OE2 3.13Å; R63-E66 WeakPolarHBondContact O-CA 3.22Å; R63-E66 WeakPolarHBondContact O-CB 3.41Å; R63-E66 PolarHBondContact O-N 3.24Å; R63-A67 PolarHBondContact O-N 2.82Å; R63-E136 IonicContact NH2-OE1 2.63Å; R63-E136 PolarHBondContact NH2-OE1 3.08Å
64I85.8Confident88Confident33 Ų3328.7 Ų28.717%0.16913%0.13CC..Hα-helixtrans-57.6-43.4-176-58.5-166.5000113E66 A67 R68 E540I64-E66 VanDerWaalsContact C-N 3.27Å; I64-E66 PolarHBondContact O-N 3.24Å; I64-A67 PolarHBondContact O-N 3.46Å; I64-R68 HydrophobicContact CG2-CG 4.33Å; I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 3.13Å; I64-E540 WeakPolarHBondContact CB-OE1 3.32Å; I64-E540 WeakPolarHBondContact CD1-OE2 3.48Å; I64-E540 WeakPolarHBondContact CG1-OE1 3.42Å; I64-E540 WeakPolarHBondContact CG1-OE2 3.44Å
65P82.5Confident87.8Confident24 Ų2426.1 Ų26.116%0.15612%0.118CC..Hα-helixtrans-58.8-36.6174.5-26.235.6000113.7R68 F69 F536 Y564P65-R68 PolarHBondContact O-N 2.87Å; P65-F69 WeakPolarHBondContact O-CB 3.4Å; P65-F69 PolarHBondContact O-N 3.01Å; P65-F536 HydrophobicContact CB-CE2 4.33Å; P65-F536 HydrophobicContact CB-CZ 4.25Å; P65-F536 HydrophobicContact CG-CD1 4.27Å; P65-F536 HydrophobicContact CG-CD2 4.37Å; P65-F536 HydrophobicContact CG-CE1 4.07Å; P65-F536 HydrophobicContact CG-CE2 4.16Å; P65-F536 HydrophobicContact CG-CG 4.42Å; P65-F536 HydrophobicContact CG-CZ 4.01Å; P65-Y564 HydrophobicContact CB-CD1 4.4Å; P65-Y564 HydrophobicContact CB-CE1 4.22Å; P65-Y564 PolarHBondContact O-OH 2.84Å
66E85.3Confident87.3Confident14 Ų1428.3 Ų28.37%0.06513%0.125CC..Hα-helixtrans-69.3-45.2178.3173.8-172-12300112.4R63 I64 R68 F69 L70 L132 R133 Y564 R565R63-E66 HydrophobicContact CB-CB 4.25Å; R63-E66 PolarHBondContact N-OE2 2.87Å; R63-E66 VanDerWaalsContact N-OE2 3.13Å; R63-E66 WeakPolarHBondContact O-CA 3.22Å; R63-E66 WeakPolarHBondContact O-CB 3.41Å; R63-E66 PolarHBondContact O-N 3.24Å; I64-E66 VanDerWaalsContact C-N 3.27Å; I64-E66 PolarHBondContact O-N 3.24Å; E66-R68 VanDerWaalsContact C-N 3.33Å; E66-R68 PolarHBondContact O-N 3.34Å; E66-F69 WeakPolarHBondContact O-CB 3.48Å; E66-F69 PolarHBondContact O-N 2.68Å; E66-L70 HydrophobicContact CG-CD1 4.26Å; E66-L70 WeakPolarHBondContact O-CG 3.28Å; E66-L70 PolarHBondContact O-N 3.45Å; E66-L132 HydrophobicContact CG-CD1 4.44Å; E66-R133 IonicContact OE1-NH1 3.49Å; E66-R133 IonicContact OE2-CZ 2.97Å; E66-R133 IonicContact OE2-NH1 3.51Å; E66-R133 PolarHBondContact OE2-NH1 2.85Å; E66-Y564 VanDerWaalsContact CA-OH 3.32Å; E66-Y564 WeakPolarHBondContact CA-OH 3.45Å; E66-R565 IonicContact OE1-NH2 2.82Å
67A87.4Confident86.6Confident0 Ų029.9 Ų29.90%013%0.134CC..Hα-helixtrans-61.5-43.2173.500000111.7Y62 R63 I64 F69 L70 A71 I85 F106Y62-A67 HydrophobicContact CD2-CB 3.31Å; Y62-A67 HydrophobicContact CE2-CB 3.51Å; Y62-A67 HydrophobicContact CG-CB 4.13Å; R63-A67 PolarHBondContact O-N 2.82Å; I64-A67 PolarHBondContact O-N 3.46Å; A67-F69 VanDerWaalsContact C-N 3.29Å; A67-F69 PolarHBondContact O-N 3Å; A67-L70 PolarHBondContact O-N 2.96Å; A67-A71 WeakPolarHBondContact O-CB 3.41Å; A67-A71 PolarHBondContact O-N 3.46Å; A67-I85 HydrophobicContact CB-CD1 4.38Å; A67-F106 HydrophobicContact CB-CB 4.23Å; A67-F106 HydrophobicContact CB-CD1 3.5Å; A67-F106 HydrophobicContact CB-CD2 4.33Å; A67-F106 HydrophobicContact CB-CE1 3.84Å; A67-F106 HydrophobicContact CB-CG 3.78Å; A67-F106 HydrophobicContact CB-CZ 4.39Å
68R85.5Confident85.5Confident85 Ų8532.8 Ų32.832%0.32116%0.164SC..Hα-helixtrans-61.9-37.8176.9-72.8178.4-175.8161.67.7112I64 P65 E66 G72 I85 Y545 Y562I64-R68 HydrophobicContact CG2-CG 4.33Å; I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 3.13Å; P65-R68 PolarHBondContact O-N 2.87Å; E66-R68 VanDerWaalsContact C-N 3.33Å; E66-R68 PolarHBondContact O-N 3.34Å; R68-G72 PolarHBondContact O-N 2.83Å; R68-I85 HydrophobicContact CG-CD1 4.1Å; R68-Y545 PolarHBondContact NH1-OH 2.85Å; R68-Y545 PolarHBondContact NH2-OH 2.91Å; R68-Y562 HydrophobicContact CB-CE1 4.2Å; R68-Y562 WeakPolarHBondContact O-CE1 3.32Å; R68-Y562 VanDerWaalsContact O-CZ 3.31Å; R68-Y562 PolarHBondContact O-OH 3.16Å
69F83.4Confident84.5Confident1 Ų134.5 Ų34.50%0.00417%0.172CC..Hα-helixtrans-65.8-53177.6175.7-107.3000112.7P65 E66 A67 A71 G72 I73 Y562 Y564 R565 Y568P65-F69 WeakPolarHBondContact O-CB 3.4Å; P65-F69 PolarHBondContact O-N 3.01Å; E66-F69 WeakPolarHBondContact O-CB 3.48Å; E66-F69 PolarHBondContact O-N 2.68Å; A67-F69 VanDerWaalsContact C-N 3.29Å; A67-F69 PolarHBondContact O-N 3Å; F69-A71 VanDerWaalsContact C-N 3.27Å; F69-A71 PolarHBondContact O-N 2.98Å; F69-G72 PolarHBondContact O-N 2.96Å; F69-I73 HydrophobicContact CD1-CD1 3.86Å; F69-I73 HydrophobicContact CD2-CD1 3.88Å; F69-I73 HydrophobicContact CD2-CG1 4.48Å; F69-I73 HydrophobicContact CE1-CD1 3.44Å; F69-I73 VanDerWaalsContact CE1-CD1 3.44Å; F69-I73 HydrophobicContact CE2-CD1 3.47Å; F69-I73 VanDerWaalsContact CE2-CD1 3.47Å; F69-I73 HydrophobicContact CE2-CG1 4.36Å; F69-I73 HydrophobicContact CG-CD1 4.08Å; F69-I73 HydrophobicContact CZ-CD1 3.23Å; F69-I73 VanDerWaalsContact O-CG1 3.31Å; F69-I73 WeakPolarHBondContact O-CG1 3.46Å; F69-I73 PolarHBondContact O-N 2.87Å; F69-Y562 VanDerWaalsContact CA-CD1 3.49Å; F69-Y562 HydrophobicContact CB-CD1 3.84Å; F69-Y562 HydrophobicContact CB-CE1 4.15Å; F69-Y562 AromaticContact CD2-CD1 3.76Å; F69-Y562 HydrophobicContact CD2-CD1 3.76Å; F69-Y562 AromaticContact CD2-CG 3.93Å; F69-Y562 HydrophobicContact CD2-CG 3.93Å; F69-Y562 HydrophobicContact CG-CD1 4.3Å; F69-Y564 HydrophobicContact CB-CE1 3.75Å; F69-Y564 WeakPolarHBondContact CB-OH 3.43Å; F69-Y564 WeakPolarHBondContact CD1-OH 3.45Å; F69-Y564 HydrophobicContact CD2-CE1 4.16Å; F69-Y564 HydrophobicContact CG-CE1 4.1Å; F69-Y564 AromaticContact CG-CZ 3.97Å; F69-Y564 WeakPolarHBondContact CG-OH 3.44Å; F69-R565 HydrophobicContact CE1-CG 4.15Å; F69-R565 HydrophobicContact CE2-CB 4.47Å; F69-R565 HydrophobicContact CE2-CG 4.39Å; F69-R565 HydrophobicContact CZ-CB 4.27Å; F69-R565 HydrophobicContact CZ-CG 4.06Å; F69-Y568 HydrophobicContact CE2-CG 4.41Å
70L86.4Confident83.2Confident1 Ų141.6 Ų41.61%0.00521%0.209CC..Hα-helixtrans-60.3-42.7177.4-66.9170.6000110.3I43 L47 E66 A67 I73 L74 F106I43-L70 HydrophobicContact CG2-CD1 3.71Å; I43-L70 HydrophobicContact CG2-CD2 4.39Å; L47-L70 HydrophobicContact CD1-CB 4.17Å; L47-L70 HydrophobicContact CD1-CD1 4.05Å; E66-L70 HydrophobicContact CG-CD1 4.26Å; E66-L70 WeakPolarHBondContact O-CG 3.28Å; E66-L70 PolarHBondContact O-N 3.45Å; A67-L70 PolarHBondContact O-N 2.96Å; L70-I73 PolarHBondContact O-N 2.96Å; L70-L74 WeakPolarHBondContact O-CB 3.25Å; L70-L74 WeakPolarHBondContact O-CD1 3.37Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 3.38Å; L70-F106 HydrophobicContact CB-CZ 4.04Å; L70-F106 HydrophobicContact CD1-CE1 4.35Å; L70-F106 HydrophobicContact CD1-CZ 4.28Å
71A86.6Confident82.3Confident5 Ų543.7 Ų43.74%0.04122%0.219CC..Hα-helixtrans-59.8-49.9175.400000112.9A67 F69 I73 L74 E75 P83 I85A67-A71 WeakPolarHBondContact O-CB 3.41Å; A67-A71 PolarHBondContact O-N 3.46Å; F69-A71 VanDerWaalsContact C-N 3.27Å; F69-A71 PolarHBondContact O-N 2.98Å; A71-I73 PolarHBondContact O-N 3.22Å; A71-L74 PolarHBondContact O-N 3.17Å; A71-E75 WeakPolarHBondContact O-CG 3.34Å; A71-E75 PolarHBondContact O-N 2.84Å; A71-P83 HydrophobicContact CB-CG 3.55Å; A71-I85 HydrophobicContact CB-CD1 4.13Å
72G83Confident81.7Confident2 Ų244.2 Ų44.22%0.02122%0.224CC..Hα-helixtrans-62.3-41.5179.100000112.6R68 F69 E75 K76 F558 Y562R68-G72 PolarHBondContact O-N 2.83Å; F69-G72 PolarHBondContact O-N 2.96Å; G72-E75 PolarHBondContact O-N 3.33Å; G72-K76 WeakPolarHBondContact O-CB 3.43Å; G72-K76 PolarHBondContact O-N 3Å; G72-F558 VanDerWaalsContact C-CE2 3.47Å; G72-F558 VanDerWaalsContact O-CE2 3.27Å; G72-F558 WeakPolarHBondContact O-CE2 3.49Å; G72-Y562 WeakPolarHBondContact CA-OH 3.41Å
73I81.2Confident81.4Confident8 Ų843.2 Ų43.24%0.04122%0.222CC..Hα-helixtrans-63.5-46.1176.5-67172.9000110.1Y44 F69 L70 A71 E75 K76 N77 F558Y44-I73 HydrophobicContact CD2-CB 4.38Å; Y44-I73 HydrophobicContact CD2-CG2 3.74Å; Y44-I73 HydrophobicContact CE2-CB 4.21Å; Y44-I73 HydrophobicContact CE2-CG2 3.4Å; F69-I73 HydrophobicContact CD1-CD1 3.86Å; F69-I73 HydrophobicContact CD2-CD1 3.88Å; F69-I73 HydrophobicContact CD2-CG1 4.48Å; F69-I73 HydrophobicContact CE1-CD1 3.44Å; F69-I73 VanDerWaalsContact CE1-CD1 3.44Å; F69-I73 HydrophobicContact CE2-CD1 3.47Å; F69-I73 VanDerWaalsContact CE2-CD1 3.47Å; F69-I73 HydrophobicContact CE2-CG1 4.36Å; F69-I73 HydrophobicContact CG-CD1 4.08Å; F69-I73 HydrophobicContact CZ-CD1 3.23Å; F69-I73 VanDerWaalsContact O-CG1 3.31Å; F69-I73 WeakPolarHBondContact O-CG1 3.46Å; F69-I73 PolarHBondContact O-N 2.87Å; L70-I73 PolarHBondContact O-N 2.96Å; A71-I73 PolarHBondContact O-N 3.22Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.26Å; I73-K76 PolarHBondContact O-N 3.41Å; I73-N77 VanDerWaalsContact CG2-ND2 3.28Å; I73-N77 WeakPolarHBondContact CG2-ND2 3.27Å; I73-N77 WeakPolarHBondContact O-CB 3.38Å; I73-N77 PolarHBondContact O-N 3.23Å; I73-N77 VanDerWaalsContact O-N 3.1Å; I73-N77 PolarHBondContact O-ND2 2.76Å; I73-F558 HydrophobicContact CG1-CZ 4.27Å
74L84.2Confident81.3Confident0 Ų036.9 Ų36.90%020%0.202CC..Hα-helixtrans-58.4-43.6177.3-71.4166.1000111.7Y44 L47 R48 L70 A71 N77 I79 P83Y44-L74 HydrophobicContact CD2-CD2 3.84Å; Y44-L74 HydrophobicContact CD2-CG 4.08Å; Y44-L74 HydrophobicContact CE2-CD2 3.33Å; Y44-L74 HydrophobicContact CE2-CG 3.71Å; L47-L74 HydrophobicContact CB-CD1 4.1Å; L47-L74 HydrophobicContact CB-CD2 4.42Å; L47-L74 HydrophobicContact CD1-CD1 4.19Å; R48-L74 HydrophobicContact CB-CD2 4.18Å; L70-L74 WeakPolarHBondContact O-CB 3.25Å; L70-L74 WeakPolarHBondContact O-CD1 3.37Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 3.38Å; A71-L74 PolarHBondContact O-N 3.17Å; L74-N77 PolarHBondContact O-N 2.85Å; L74-I79 HydrophobicContact CB-CD1 3.82Å; L74-I79 HydrophobicContact CD2-CD1 3.17Å; L74-I79 HydrophobicContact CG-CD1 4.06Å; L74-I79 WeakPolarHBondContact O-CB 3.4Å; L74-I79 WeakPolarHBondContact O-CG1 3.5Å; L74-I79 PolarHBondContact O-N 2.92Å; L74-P83 HydrophobicContact CD1-CG 4.01Å
75E83.7Confident81.5Confident107 Ų10737.5 Ų37.550%0.521%0.206SC..Hα-helixtrans-64.2-45.6176.6-73.7176.718000112.5A71 G72 I73 N77 G78 S82A71-E75 WeakPolarHBondContact O-CG 3.34Å; A71-E75 PolarHBondContact O-N 2.84Å; G72-E75 PolarHBondContact O-N 3.33Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.26Å; E75-N77 PolarHBondContact O-N 3.23Å; E75-G78 PolarHBondContact O-N 3.17Å; E75-S82 WeakPolarHBondContact OE1-CB 3.47Å
76K77.7Confident81.9Confident99 Ų9936.4 Ų36.443%0.4320%0.198SC..Hα-helixtrans-60.5-31179-176.5172.5-173.6164.70112.6G72 I73 G78 F558G72-K76 WeakPolarHBondContact O-CB 3.43Å; G72-K76 PolarHBondContact O-N 3Å; I73-K76 PolarHBondContact O-N 3.41Å; K76-G78 PolarHBondContact O-N 3.43Å; K76-F558 HydrophobicContact CB-CE2 4.16Å; K76-F558 HydrophobicContact CB-CZ 4.26Å; K76-F558 HydrophobicContact CD-CE1 4.04Å; K76-F558 HydrophobicContact CD-CE2 4.2Å; K76-F558 HydrophobicContact CD-CZ 3.84Å
77N76.7Confident82Confident37 Ų3737.2 Ų37.220%0.19821%0.205CC..THydrogen-bonded Turntrans-84.39.9-179.3-69.5-33.8000113.9M10 Y44 I73 L74 E75M10-N77 HydrophobicContact CE-CB 3.41Å; M10-N77 VanDerWaalsContact CE-CB 3.41Å; M10-N77 HydrophobicContact CG-CB 4.32Å; M10-N77 WeakPolarHBondContact CG-ND2 3.37Å; M10-N77 WeakPolarHBondContact CG-OD1 3.29Å; M10-N77 HydrophobicContact SD-CB 4.06Å; M10-N77 PolarHBondContact SD-ND2 3.07Å; Y44-N77 PolarHBondContact OH-ND2 3.33Å; I73-N77 VanDerWaalsContact CG2-ND2 3.28Å; I73-N77 WeakPolarHBondContact CG2-ND2 3.27Å; I73-N77 WeakPolarHBondContact O-CB 3.38Å; I73-N77 PolarHBondContact O-N 3.23Å; I73-N77 VanDerWaalsContact O-N 3.1Å; I73-N77 PolarHBondContact O-ND2 2.76Å; L74-N77 PolarHBondContact O-N 2.85Å; E75-N77 PolarHBondContact O-N 3.23Å
78G71.8Confident81.7Confident61 Ų6141.3 Ų41.363%0.62924%0.239SC*.THydrogen-bonded Turntrans73.826.2171.200000113.6E75 K76 I80E75-G78 PolarHBondContact O-N 3.17Å; K76-G78 PolarHBondContact O-N 3.43Å; G78-I80 PolarHBondContact O-N 2.97Å
79I73.1Confident81.5Confident35 Ų3545 Ų4518%0.17926%0.259CS..  trans-67.1130.9174.2-66.8174000109R48 L74 H81R48-I79 HydrophobicContact CB-CD1 4.5Å; R48-I79 HydrophobicContact CG-CD1 4.15Å; L74-I79 HydrophobicContact CB-CD1 3.82Å; L74-I79 HydrophobicContact CD2-CD1 3.17Å; L74-I79 HydrophobicContact CG-CD1 4.06Å; L74-I79 WeakPolarHBondContact O-CB 3.4Å; L74-I79 WeakPolarHBondContact O-CG1 3.5Å; L74-I79 PolarHBondContact O-N 2.92Å; I79-H81 PolarHBondContact O-N 3.34Å
80I67.6Low81.6Confident151 Ų15146 Ų4677%0.77427%0.266SS*.SBendtrans-59.6-32-173-56165000111.2G78G78-I80 PolarHBondContact O-N 2.97Å
81H75.3Confident81.7Confident44 Ų4450.4 Ų50.420%0.20429%0.289CS..SBendtrans-118106.5-178.6-64.2-89.9000111.5P53 I79P53-H81 VanDerWaalsContact CD-CD2 3.47Å; P53-H81 WeakPolarHBondContact CD-CD2 3.34Å; P53-H81 WeakPolarHBondContact CG-NE2 3.25Å; I79-H81 PolarHBondContact O-N 3.34Å
82S78.9Confident81.7Confident42 Ų4253.5 Ų53.529%0.29431%0.305SS..PPolyproline II helixtrans-57.6129.3169.858.90000110.4E75 R101E75-S82 WeakPolarHBondContact OE1-CB 3.47Å; S82-R101 PolarHBondContact OG-NH1 3.26Å
83P85.7Confident82Confident10 Ų1061.4 Ų61.47%0.06534%0.339CS..PPolyproline II helixtrans-63.2138.6176.925.1-32000111.4A71 L74 V104 F106A71-P83 HydrophobicContact CB-CG 3.55Å; L74-P83 HydrophobicContact CD1-CG 4.01Å; P83-V104 CarbonylContact C-O 3.56Å; P83-V104 WeakPolarHBondContact CA-O 3.4Å; P83-V104 HydrophobicContact CB-CB 4.07Å; P83-V104 HydrophobicContact CB-CG1 4.05Å; P83-V104 WeakPolarHBondContact CB-O 3.47Å; P83-F106 HydrophobicContact CB-CD2 4.2Å; P83-F106 HydrophobicContact CB-CE2 3.9Å; P83-F106 HydrophobicContact CG-CE2 4.34Å
84G85.5Confident82.5Confident15 Ų1566.2 Ų66.216%0.15536%0.361CS..EExtended strand (participates in β ladder)trans-81.4134.1177.600000111.2V104 V105 F106G84-V104 PolarHBondContact N-O 3.07Å; G84-V105 CarbonylContact O-C 3.58Å; G84-V105 WeakPolarHBondContact O-CA 3.48Å; G84-F106 PolarHBondContact O-N 3.38Å
85I90.3Very high82.8Confident47 Ų4767.3 Ų67.324%0.24137%0.365CS..EExtended strand (participates in β ladder)trans-112.1114.7171.9-56176.3000108.5A67 R68 A71 T87 F106A67-I85 HydrophobicContact CB-CD1 4.38Å; R68-I85 HydrophobicContact CG-CD1 4.1Å; A71-I85 HydrophobicContact CB-CD1 4.13Å; I85-T87 HydrophobicContact CG2-CG2 4.21Å; I85-F106 HydrophobicContact CG1-CB 4.29Å; I85-F106 HydrophobicContact CG1-CD2 4.17Å; I85-F106 HydrophobicContact CG2-CB 4.48Å
86I90.1Very high83.1Confident0 Ų065.6 Ų65.60%036%0.357CS..EExtended strand (participates in β ladder)trans-100.1107.5179.8-61.4-178.6000109.4R95 I98 Y99 V105 F106 V107 I111I86-R95 HydrophobicContact CD1-CB 4.23Å; I86-R95 HydrophobicContact CD1-CG 4.28Å; I86-R95 HydrophobicContact CG2-CG 3.75Å; I86-I98 HydrophobicContact CD1-CB 4.41Å; I86-I98 HydrophobicContact CD1-CG2 4.15Å; I86-I98 HydrophobicContact CG1-CD1 4.15Å; I86-I98 HydrophobicContact CG1-CG2 4.37Å; I86-Y99 HydrophobicContact CD1-CD1 4.42Å; I86-Y99 HydrophobicContact CD1-CE1 3.74Å; I86-Y99 HydrophobicContact CD1-CE2 3.95Å; I86-Y99 VanDerWaalsContact CD1-CZ 3.46Å; I86-Y99 WeakPolarHBondContact CD1-OH 2.98Å; I86-V105 HydrophobicContact CD1-CG1 3.67Å; I86-V105 HydrophobicContact CG1-CG1 3.94Å; I86-F106 PolarHBondContact N-O 2.96Å; I86-V107 HydrophobicContact CB-CG1 4.33Å; I86-V107 HydrophobicContact CB-CG2 4.17Å; I86-V107 HydrophobicContact CD1-CG2 3.93Å; I86-V107 HydrophobicContact CG1-CG2 4.31Å; I86-V107 HydrophobicContact CG2-CG1 4.38Å; I86-I111 HydrophobicContact CG2-CD1 4.37Å; I86-I111 HydrophobicContact CG2-CG2 4.02Å
87T87.3Confident83.8Confident32 Ų3263.7 Ų63.720%0.19636%0.36CS..  trans-103173.317064.30000110.6I85 E89 V90 R95I85-T87 HydrophobicContact CG2-CG2 4.21Å; T87-E89 PolarHBondContact O-N 3.41Å; T87-E89 VanDerWaalsContact O-N 3.14Å; T87-V90 PolarHBondContact O-N 2.63Å; T87-R95 PolarHBondContact O-NH2 3.38Å
88A81.2Confident84.4Confident86 Ų8664 Ų6471%0.71136%0.361SS*.THydrogen-bonded Turntrans-60.7-20.9176.400000113.3R95A88-R95 PolarHBondContact O-NH2 2.77Å
89E81.8Confident85.4Confident162 Ų16261.1 Ų61.176%0.75733%0.331SS*.THydrogen-bonded Turntrans-77-23-179.2-57.4179162.600113.3T87 N91T87-E89 PolarHBondContact O-N 3.41Å; T87-E89 VanDerWaalsContact O-N 3.14Å; E89-N91 PolarHBondContact O-N 2.98Å
90V85.3Confident86.2Confident23 Ų2365.7 Ų65.714%0.13935%0.35CS..SBendtrans-73.4127.2-179.9-176.60000109.1T87 E94 R95 I98T87-V90 PolarHBondContact O-N 2.63Å; V90-E94 HydrophobicContact CG1-CB 3.66Å; V90-R95 HydrophobicContact CB-CG 4.21Å; V90-R95 HydrophobicContact CG1-CG 3.77Å; V90-R95 VanDerWaalsContact O-CZ 3.29Å; V90-R95 PolarHBondContact O-NE 3.33Å; V90-R95 PolarHBondContact O-NH2 3.13Å; V90-I98 HydrophobicContact CG1-CD1 4.18Å
91N88.5Confident87.1Confident93 Ų9364.5 Ų64.550%0.49734%0.336SS..  trans-67151.1-178.5-1722.4000111.2E89 K93 E94 R95E89-N91 PolarHBondContact O-N 2.98Å; N91-K93 VanDerWaalsContact C-N 3.27Å; N91-K93 PolarHBondContact O-N 3.26Å; N91-E94 HydrophobicContact CB-CG 4.32Å; N91-E94 PolarHBondContact N-OE2 3.38Å; N91-E94 WeakPolarHBondContact O-CB 3.36Å; N91-E94 PolarHBondContact O-N 3.29Å; N91-R95 WeakPolarHBondContact O-CG 3.47Å; N91-R95 PolarHBondContact O-N 2.89Å
92N87.5Confident87.7Confident70 Ų7063 Ų6337%0.37433%0.332SS..Hα-helixtrans-53.2-40.8-178.3-61.6-29.9000113.1R95 E96 R120N92-R95 PolarHBondContact O-N 3.4Å; N92-E96 PolarHBondContact O-N 3.37Å; N92-R120 VanDerWaalsContact CG-NH1 3.28Å; N92-R120 PolarHBondContact ND2-NH2 3.32Å; N92-R120 PolarHBondContact OD1-NH1 3.38Å
93K89.3Confident88.2Confident167 Ų16761.1 Ų61.173%0.72632%0.319SS*.Hα-helixtrans-66.7-36.2178.1-68.3-174.5178-177.70112.8N91 A97N91-K93 VanDerWaalsContact C-N 3.27Å; N91-K93 PolarHBondContact O-N 3.26Å; K93-A97 PolarHBondContact O-N 3.37Å
94E90.6Very high88.6Confident110 Ų11060.9 Ų60.951%0.51432%0.317SS..Hα-helixtrans-70.7-38.2177.8-66.6172172.400110.6V90 N91 E96 A97 I98V90-E94 HydrophobicContact CG1-CB 3.66Å; N91-E94 HydrophobicContact CB-CG 4.32Å; N91-E94 PolarHBondContact N-OE2 3.38Å; N91-E94 WeakPolarHBondContact O-CB 3.36Å; N91-E94 PolarHBondContact O-N 3.29Å; E94-E96 PolarHBondContact O-N 2.6Å; E94-A97 WeakPolarHBondContact O-CB 3.17Å; E94-A97 PolarHBondContact O-N 2.74Å; E94-I98 VanDerWaalsContact O-CG1 3.29Å; E94-I98 WeakPolarHBondContact O-CG1 3.37Å; E94-I98 PolarHBondContact O-N 3.04Å
95R90.8Very high89Confident22 Ų2260.2 Ų60.28%0.08331%0.31CS..Hα-helixtrans-58.8-47.8174.1-62.6-177.5-166.6175.24.1111.9I86 T87 A88 V90 N91 N92 A97 I98 Y99 I111 D115I86-R95 HydrophobicContact CD1-CB 4.23Å; I86-R95 HydrophobicContact CD1-CG 4.28Å; I86-R95 HydrophobicContact CG2-CG 3.75Å; T87-R95 PolarHBondContact O-NH2 3.38Å; A88-R95 PolarHBondContact O-NH2 2.77Å; V90-R95 HydrophobicContact CB-CG 4.21Å; V90-R95 HydrophobicContact CG1-CG 3.77Å; V90-R95 VanDerWaalsContact O-CZ 3.29Å; V90-R95 PolarHBondContact O-NE 3.33Å; V90-R95 PolarHBondContact O-NH2 3.13Å; N91-R95 WeakPolarHBondContact O-CG 3.47Å; N91-R95 PolarHBondContact O-N 2.89Å; N92-R95 PolarHBondContact O-N 3.4Å; R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 3.12Å; R95-I98 PolarHBondContact O-N 2.99Å; R95-I98 VanDerWaalsContact O-N 3.14Å; R95-Y99 HydrophobicContact CB-CE2 4.15Å; R95-Y99 WeakPolarHBondContact O-CD2 3.03Å; R95-Y99 PolarHBondContact O-N 3.5Å; R95-I111 VanDerWaalsContact NH1-CG2 3.25Å; R95-D115 WeakPolarHBondContact CD-OD2 3.25Å; R95-D115 IonicContact NH1-OD2 2.64Å
96E90.3Very high89.2Confident72 Ų7258 Ų5834%0.33630%0.299SS..Hα-helixtrans-58.7-40.9176.5-173.9-178.3171.900111.7N92 E94 Y99 K100N92-E96 PolarHBondContact O-N 3.37Å; E94-E96 PolarHBondContact O-N 2.6Å; E96-Y99 PolarHBondContact O-N 3.13Å; E96-K100 HydrophobicContact CG-CD 4.33Å; E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 3.47Å; E96-K100 VanDerWaalsContact OE1-CE 3.25Å; E96-K100 WeakPolarHBondContact OE1-CE 3.15Å; E96-K100 IonicContact OE1-NZ 2.97Å; E96-K100 PolarHBondContact OE1-NZ 3.45Å
97A91.3Very high89.4Confident59 Ų5958 Ų5849%0.48830%0.299SS..Hα-helixtrans-64.6-40.3175.800000112.4K93 E94 R95 K100 R101K93-A97 PolarHBondContact O-N 3.37Å; E94-A97 WeakPolarHBondContact O-CB 3.17Å; E94-A97 PolarHBondContact O-N 2.74Å; R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 3.12Å; A97-K100 PolarHBondContact O-N 2.99Å; A97-R101 WeakPolarHBondContact O-CB 2.93Å; A97-R101 PolarHBondContact O-N 3.33Å
98I90.7Very high89.5Confident43 Ų4358.7 Ų58.722%0.22131%0.305CS..Hα-helixtrans-63.7-44.6176.4-67.4163.7000110.6I86 V90 E94 R95 K100 R101 V105I86-I98 HydrophobicContact CD1-CB 4.41Å; I86-I98 HydrophobicContact CD1-CG2 4.15Å; I86-I98 HydrophobicContact CG1-CD1 4.15Å; I86-I98 HydrophobicContact CG1-CG2 4.37Å; V90-I98 HydrophobicContact CG1-CD1 4.18Å; E94-I98 VanDerWaalsContact O-CG1 3.29Å; E94-I98 WeakPolarHBondContact O-CG1 3.37Å; E94-I98 PolarHBondContact O-N 3.04Å; R95-I98 PolarHBondContact O-N 2.99Å; R95-I98 VanDerWaalsContact O-N 3.14Å; I98-K100 PolarHBondContact O-N 3.14Å; I98-R101 WeakPolarHBondContact O-CB 3.4Å; I98-R101 PolarHBondContact O-N 3.01Å; I98-V105 HydrophobicContact CG2-CG1 3.81Å; I98-V105 HydrophobicContact CG2-CG2 3.98Å
99Y92.1Very high89.9Confident1 Ų155.2 Ų55.20%0.00428%0.276CS..Hα-helixtrans-63.3-41.5177-67-52.8000112.6L58 I86 R95 E96 R101 G102 V105 V107 D115 M121L58-Y99 HydrophobicContact CD2-CD1 4.36Å; L58-Y99 HydrophobicContact CD2-CE1 4.04Å; I86-Y99 HydrophobicContact CD1-CD1 4.42Å; I86-Y99 HydrophobicContact CD1-CE1 3.74Å; I86-Y99 HydrophobicContact CD1-CE2 3.95Å; I86-Y99 VanDerWaalsContact CD1-CZ 3.46Å; I86-Y99 WeakPolarHBondContact CD1-OH 2.98Å; R95-Y99 HydrophobicContact CB-CE2 4.15Å; R95-Y99 WeakPolarHBondContact O-CD2 3.03Å; R95-Y99 PolarHBondContact O-N 3.5Å; E96-Y99 PolarHBondContact O-N 3.13Å; Y99-R101 VanDerWaalsContact C-N 3.29Å; Y99-R101 PolarHBondContact O-N 2.99Å; Y99-G102 PolarHBondContact O-N 3.39Å; Y99-V105 HydrophobicContact CD1-CG1 4.49Å; Y99-V105 HydrophobicContact CE1-CG1 4.16Å; Y99-V107 HydrophobicContact CE1-CG2 3.95Å; Y99-V107 WeakPolarHBondContact OH-CG1 3.29Å; Y99-D115 HydrophobicContact CE2-CB 4.42Å; Y99-M121 HydrophobicContact CD1-CG 3.9Å; Y99-M121 HydrophobicContact CD1-SD 3.73Å; Y99-M121 HydrophobicContact CD2-CB 3.92Å; Y99-M121 HydrophobicContact CD2-CG 4.1Å; Y99-M121 HydrophobicContact CE1-CG 4.34Å; Y99-M121 HydrophobicContact CE1-SD 3.75Å; Y99-M121 HydrophobicContact CE2-CB 4.19Å; Y99-M121 HydrophobicContact CG-CB 4.13Å; Y99-M121 HydrophobicContact CG-CG 3.78Å; Y99-M121 HydrophobicContact CG-SD 4.23Å
100K89.4Confident90.2Very high131 Ų13150.9 Ų50.957%0.5725%0.253SS*.Hα-helixtrans-69-25.9177.8-73.3178.6-175.3173.50113.4E96 A97 I98 G102E96-K100 HydrophobicContact CG-CD 4.33Å; E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 3.47Å; E96-K100 VanDerWaalsContact OE1-CE 3.25Å; E96-K100 WeakPolarHBondContact OE1-CE 3.15Å; E96-K100 IonicContact OE1-NZ 2.97Å; E96-K100 PolarHBondContact OE1-NZ 3.45Å; A97-K100 PolarHBondContact O-N 2.99Å; I98-K100 PolarHBondContact O-N 3.14Å; K100-G102 PolarHBondContact O-N 3.14Å
101R88.1Confident90.5Very high126 Ų12650.7 Ų50.748%0.47525%0.251SS..Hα-helixtrans-65.3-27.8176.5-175.9179.4178.6-162.9-4.7112.2S82 A97 I98 Y99S82-R101 PolarHBondContact OG-NH1 3.26Å; A97-R101 WeakPolarHBondContact O-CB 2.93Å; A97-R101 PolarHBondContact O-N 3.33Å; I98-R101 WeakPolarHBondContact O-CB 3.4Å; I98-R101 PolarHBondContact O-N 3.01Å; Y99-R101 VanDerWaalsContact C-N 3.29Å; Y99-R101 PolarHBondContact O-N 2.99Å
102G87.2Confident90.7Very high13 Ų1346.3 Ų46.313%0.13423%0.227CC..  trans72.4-176.6-173.200000113Y99 K100Y99-G102 PolarHBondContact O-N 3.39Å; K100-G102 PolarHBondContact O-N 3.14Å
103G90Very high90.8Very high2 Ų243 Ų432%0.02121%0.21CC..EExtended strand (participates in β ladder)trans91.3-154.7-171.900000113.5N55 L56 V57N55-G103 VanDerWaalsContact O-CA 3.28Å; N55-G103 WeakPolarHBondContact O-CA 3.39Å; N55-G103 PolarHBondContact O-N 3.03Å; L56-G103 WeakPolarHBondContact CA-O 3.47Å; V57-G103 PolarHBondContact N-O 3.14Å
104V92.9Very high90.8Very high4 Ų435.5 Ų35.52%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-88.1128.6178.1172.30000109.7L47 V57 V59 P83 G84 F106L47-V104 HydrophobicContact CB-CG2 4.46Å; L47-V104 HydrophobicContact CD2-CG1 3.67Å; L47-V104 HydrophobicContact CD2-CG2 3.99Å; V57-V104 WeakPolarHBondContact O-CA 3.37Å; V59-V104 HydrophobicContact CG2-CG1 3.84Å; P83-V104 CarbonylContact C-O 3.56Å; P83-V104 WeakPolarHBondContact CA-O 3.4Å; P83-V104 HydrophobicContact CB-CB 4.07Å; P83-V104 HydrophobicContact CB-CG1 4.05Å; P83-V104 WeakPolarHBondContact CB-O 3.47Å; G84-V104 PolarHBondContact N-O 3.07Å; V104-F106 HydrophobicContact CG1-CD2 4.38Å; V104-F106 HydrophobicContact CG1-CE2 3.98Å; V104-F106 HydrophobicContact CG1-CZ 4.47Å
105V94Very high90.9Very high1 Ų130.3 Ų30.31%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-128.3119.7177.3-169.50000110.6L56 V57 L58 V59 G84 I86 I98 Y99 V107L56-V105 HydrophobicContact CD1-CG2 3.73Å; V57-V105 PolarHBondContact O-N 3.35Å; L58-V105 WeakPolarHBondContact CA-O 3.23Å; L58-V105 HydrophobicContact CD2-CB 4.31Å; V59-V105 PolarHBondContact N-O 3.11Å; G84-V105 CarbonylContact O-C 3.58Å; G84-V105 WeakPolarHBondContact O-CA 3.48Å; I86-V105 HydrophobicContact CD1-CG1 3.67Å; I86-V105 HydrophobicContact CG1-CG1 3.94Å; I98-V105 HydrophobicContact CG2-CG1 3.81Å; I98-V105 HydrophobicContact CG2-CG2 3.98Å; Y99-V105 HydrophobicContact CD1-CG1 4.49Å; Y99-V105 HydrophobicContact CE1-CG1 4.16Å; V105-V107 HydrophobicContact CB-CG2 4.32Å; V105-V107 HydrophobicContact CG1-CG2 3.55Å
106F94.6Very high90.9Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-82.6118.4171.1-67.4-90.1000109.5L47 V59 Y62 A67 L70 P83 G84 I85 I86 V104L47-F106 HydrophobicContact CD1-CZ 3.93Å; V59-F106 HydrophobicContact CB-CD1 3.6Å; V59-F106 HydrophobicContact CB-CE1 3.86Å; V59-F106 HydrophobicContact CB-CG 4.2Å; V59-F106 HydrophobicContact CG1-CD1 3.64Å; V59-F106 HydrophobicContact CG1-CE1 3.62Å; V59-F106 HydrophobicContact CG2-CD1 4.19Å; V59-F106 HydrophobicContact CG2-CE1 4.07Å; V59-F106 HydrophobicContact CG2-CZ 4.4Å; Y62-F106 HydrophobicContact CD1-CB 4.28Å; Y62-F106 AromaticContact CD1-CD1 3.96Å; Y62-F106 HydrophobicContact CD1-CD1 3.96Å; Y62-F106 HydrophobicContact CD2-CD1 4.27Å; Y62-F106 HydrophobicContact CE1-CB 3.73Å; Y62-F106 HydrophobicContact CE1-CD1 4.27Å; Y62-F106 HydrophobicContact CE2-CB 4.17Å; Y62-F106 AromaticContact CG-CD1 3.96Å; Y62-F106 HydrophobicContact CG-CD1 3.96Å; Y62-F106 PolarHBondContact OH-O 3.1Å; A67-F106 HydrophobicContact CB-CB 4.23Å; A67-F106 HydrophobicContact CB-CD1 3.5Å; A67-F106 HydrophobicContact CB-CD2 4.33Å; A67-F106 HydrophobicContact CB-CE1 3.84Å; A67-F106 HydrophobicContact CB-CG 3.78Å; A67-F106 HydrophobicContact CB-CZ 4.39Å; L70-F106 HydrophobicContact CB-CZ 4.04Å; L70-F106 HydrophobicContact CD1-CE1 4.35Å; L70-F106 HydrophobicContact CD1-CZ 4.28Å; P83-F106 HydrophobicContact CB-CD2 4.2Å; P83-F106 HydrophobicContact CB-CE2 3.9Å; P83-F106 HydrophobicContact CG-CE2 4.34Å; G84-F106 PolarHBondContact O-N 3.38Å; I85-F106 HydrophobicContact CG1-CB 4.29Å; I85-F106 HydrophobicContact CG1-CD2 4.17Å; I85-F106 HydrophobicContact CG2-CB 4.48Å; I86-F106 PolarHBondContact N-O 2.96Å; V104-F106 HydrophobicContact CG1-CD2 4.38Å; V104-F106 HydrophobicContact CG1-CE2 3.98Å; V104-F106 HydrophobicContact CG1-CZ 4.47Å
107V93.8Very high90.9Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-138.1134.4-179.3-1670000110.5V59 Y62 I86 Y99 V105 I111 L112V59-V107 PolarHBondContact O-N 3.19Å; Y62-V107 VanDerWaalsContact CE1-N 3.33Å; I86-V107 HydrophobicContact CB-CG1 4.33Å; I86-V107 HydrophobicContact CB-CG2 4.17Å; I86-V107 HydrophobicContact CD1-CG2 3.93Å; I86-V107 HydrophobicContact CG1-CG2 4.31Å; I86-V107 HydrophobicContact CG2-CG1 4.38Å; Y99-V107 HydrophobicContact CE1-CG2 3.95Å; Y99-V107 WeakPolarHBondContact OH-CG1 3.29Å; V105-V107 HydrophobicContact CB-CG2 4.32Å; V105-V107 HydrophobicContact CG1-CG2 3.55Å; V107-I111 HydrophobicContact CG1-CB 4.03Å; V107-I111 HydrophobicContact CG1-CG2 3.88Å; V107-L112 HydrophobicContact CG1-CB 3.96Å
108S91.2Very high90.7Very high47 Ų4728.4 Ų28.433%0.32914%0.137SC..  trans-67.8144.6172.165.70000111.9R110 I111 L112S108-R110 VanDerWaalsContact C-N 3.25Å; S108-R110 PolarHBondContact O-N 3.3Å; S108-R110 VanDerWaalsContact O-N 3.16Å; S108-I111 PolarHBondContact O-N 2.69Å; S108-I111 WeakPolarHBondContact OG-CD1 3.4Å; S108-I111 VanDerWaalsContact OG-CG1 3.3Å; S108-I111 WeakPolarHBondContact OG-CG1 3.48Å; S108-L112 PolarHBondContact O-N 3.42Å
109S89.5Confident90.5Very high14 Ų1432.4 Ų32.410%0.09816%0.155CC..Hα-helixtrans-53.1-41.3-176.4-32.90000112.4S60 L112 V113 D143S60-S109 PolarHBondContact OG-OG 3.49Å; S60-S109 VanDerWaalsContact OG-OG 3.11Å; S109-L112 PolarHBondContact O-N 2.91Å; S109-V113 WeakPolarHBondContact O-CG2 3.26Å; S109-V113 PolarHBondContact O-N 3.15Å; S109-D143 WeakPolarHBondContact CB-OD2 3.43Å; S109-D143 PolarHBondContact OG-OD1 3.25Å; S109-D143 VanDerWaalsContact OG-OD1 3.14Å; S109-D143 PolarHBondContact OG-OD2 3.42Å
110R88.1Confident90.3Very high70 Ų7035.2 Ų35.226%0.26417%0.166SC..Hα-helixtrans-63.3-45.5178.3-173178.3177.6-164.5-3.1113.4S108 L112 V114 Q142 M687S108-R110 VanDerWaalsContact C-N 3.25Å; S108-R110 PolarHBondContact O-N 3.3Å; S108-R110 VanDerWaalsContact O-N 3.16Å; R110-L112 VanDerWaalsContact C-N 3.28Å; R110-V114 WeakPolarHBondContact O-CG2 3.34Å; R110-V114 PolarHBondContact O-N 3.32Å; R110-Q142 VanDerWaalsContact N-OE1 3.13Å; R110-M687 PolarHBondContact NE-O 3.33Å; R110-M687 VanDerWaalsContact NH2-C 3.28Å; R110-M687 PolarHBondContact NH2-O 2.73Å
111I90.8Very high90.3Very high20 Ų2029.1 Ų29.110%0.10314%0.139CC..Hα-helixtrans-64.4-42.9178.4-68173.3000108.9I86 R95 V107 S108 V113 V114 D115I86-I111 HydrophobicContact CG2-CD1 4.37Å; I86-I111 HydrophobicContact CG2-CG2 4.02Å; R95-I111 VanDerWaalsContact NH1-CG2 3.25Å; V107-I111 HydrophobicContact CG1-CB 4.03Å; V107-I111 HydrophobicContact CG1-CG2 3.88Å; S108-I111 PolarHBondContact O-N 2.69Å; S108-I111 WeakPolarHBondContact OG-CD1 3.4Å; S108-I111 VanDerWaalsContact OG-CG1 3.3Å; S108-I111 WeakPolarHBondContact OG-CG1 3.48Å; I111-V113 PolarHBondContact O-N 2.76Å; I111-V114 PolarHBondContact O-N 3.49Å; I111-D115 VanDerWaalsContact CG2-OD2 3.26Å; I111-D115 WeakPolarHBondContact CG2-OD2 3.46Å; I111-D115 WeakPolarHBondContact O-CB 3.42Å; I111-D115 PolarHBondContact O-N 3.11Å
112L91.9Very high90.2Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-62-42.3-179.3-172.155.7000112.4L58 V107 S108 S109 R110 V114 D115 L116 M121 V146L58-L112 HydrophobicContact CD1-CD1 3.91Å; L58-L112 HydrophobicContact CD1-CD2 4.18Å; V107-L112 HydrophobicContact CG1-CB 3.96Å; S108-L112 PolarHBondContact O-N 3.42Å; S109-L112 PolarHBondContact O-N 2.91Å; R110-L112 VanDerWaalsContact C-N 3.28Å; L112-V114 PolarHBondContact O-N 2.69Å; L112-D115 PolarHBondContact O-N 3.08Å; L112-L116 HydrophobicContact CD1-CD1 4.3Å; L112-L116 HydrophobicContact CD1-CG 4.36Å; L112-L116 HydrophobicContact CG-CD1 4.1Å; L112-L116 VanDerWaalsContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.44Å; L112-M121 HydrophobicContact CD1-CE 3.92Å; L112-M121 HydrophobicContact CD1-SD 4.21Å; L112-V146 HydrophobicContact CB-CG2 4.14Å; L112-V146 HydrophobicContact CD2-CB 4.38Å; L112-V146 HydrophobicContact CD2-CG1 3.38Å; L112-V146 HydrophobicContact CD2-CG2 4.09Å; L112-V146 HydrophobicContact CG-CG1 3.78Å; L112-V146 HydrophobicContact CG-CG2 3.97Å
113V91Very high90.3Very high2 Ų224.5 Ų24.51%0.01212%0.123CC..Hα-helixtrans-57.5-48.5173170.80000111.3S109 I111 L116 L117 Q142 F145 V146 F690S109-V113 WeakPolarHBondContact O-CG2 3.26Å; S109-V113 PolarHBondContact O-N 3.15Å; I111-V113 PolarHBondContact O-N 2.76Å; V113-L116 PolarHBondContact O-N 2.87Å; V113-L117 HydrophobicContact CG1-CD1 3.86Å; V113-L117 HydrophobicContact CG1-CG 4.4Å; V113-L117 WeakPolarHBondContact O-CB 3.45Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 3.36Å; V113-Q142 HydrophobicContact CG2-CB 4.31Å; V113-F145 HydrophobicContact CB-CD1 4.42Å; V113-F145 HydrophobicContact CG1-CD1 3.58Å; V113-F145 HydrophobicContact CG1-CE1 3.47Å; V113-F145 VanDerWaalsContact CG1-CE1 3.47Å; V113-F145 HydrophobicContact CG2-CD1 3.87Å; V113-V146 HydrophobicContact CB-CG2 4.5Å; V113-V146 HydrophobicContact CG2-CG2 3.47Å; V113-V146 VanDerWaalsContact CG2-CG2 3.47Å; V113-F690 HydrophobicContact CG1-CD1 3.62Å; V113-F690 HydrophobicContact CG1-CE1 3.79Å
114V89.3Confident90.2Very high9 Ų929.1 Ų29.16%0.05516%0.155CC..Hα-helixtrans-66.6-43.2-177.6174.90000111R110 I111 L112 L116 L117 M118 M687 P707R110-V114 WeakPolarHBondContact O-CG2 3.34Å; R110-V114 PolarHBondContact O-N 3.32Å; I111-V114 PolarHBondContact O-N 3.49Å; L112-V114 PolarHBondContact O-N 2.69Å; V114-L116 VanDerWaalsContact C-N 3.3Å; V114-L116 PolarHBondContact O-N 3Å; V114-L117 PolarHBondContact O-N 2.74Å; V114-M118 HydrophobicContact CG1-CG 4.28Å; V114-M118 WeakPolarHBondContact O-CB 3.37Å; V114-M118 VanDerWaalsContact O-CG 3.27Å; V114-M118 WeakPolarHBondContact O-CG 3.32Å; V114-M118 PolarHBondContact O-N 2.89Å; V114-M687 HydrophobicContact CG1-CE 4.16Å; V114-M687 HydrophobicContact CG2-CE 4.19Å; V114-P707 HydrophobicContact CG1-CB 4.35Å; V114-P707 HydrophobicContact CG1-CG 4.2Å; V114-P707 HydrophobicContact CG2-CB 4.37Å
115D91.5Very high90Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-69.1-29.5-179.6-71.8-17.6000112R95 Y99 I111 L112 E119 R120R95-D115 WeakPolarHBondContact CD-OD2 3.25Å; R95-D115 IonicContact NH1-OD2 2.64Å; Y99-D115 HydrophobicContact CE2-CB 4.42Å; I111-D115 VanDerWaalsContact CG2-OD2 3.26Å; I111-D115 WeakPolarHBondContact CG2-OD2 3.46Å; I111-D115 WeakPolarHBondContact O-CB 3.42Å; I111-D115 PolarHBondContact O-N 3.11Å; L112-D115 PolarHBondContact O-N 3.08Å; D115-E119 PolarHBondContact O-N 3.29Å; D115-R120 HydrophobicContact CB-CB 4.37Å; D115-R120 PolarHBondContact O-N 3.01Å; D115-R120 VanDerWaalsContact OD1-CD 3.23Å; D115-R120 WeakPolarHBondContact OD1-CD 3.33Å; D115-R120 IonicContact OD1-CZ 3.23Å; D115-R120 IonicContact OD1-NE 3.7Å; D115-R120 IonicContact OD1-NH1 2.66Å; D115-R120 PolarHBondContact OD1-NH1 3.27Å
116L91.3Very high89.9Confident5 Ų533.6 Ų33.63%0.02618%0.178CC..Hα-helixtrans-69.6-48.4170.8-78.9169.8000112.6L112 V113 V114 M118 E119 M121 V123 V146 L149 L150L112-L116 HydrophobicContact CD1-CD1 4.3Å; L112-L116 HydrophobicContact CD1-CG 4.36Å; L112-L116 HydrophobicContact CG-CD1 4.1Å; L112-L116 VanDerWaalsContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.44Å; V113-L116 PolarHBondContact O-N 2.87Å; V114-L116 VanDerWaalsContact C-N 3.3Å; V114-L116 PolarHBondContact O-N 3Å; L116-M118 VanDerWaalsContact C-N 3.32Å; L116-M118 PolarHBondContact O-N 3.44Å; L116-E119 PolarHBondContact O-N 2.83Å; L116-E119 VanDerWaalsContact O-N 3.14Å; L116-M121 HydrophobicContact CD2-CE 3.31Å; L116-M121 HydrophobicContact CG-CE 3.93Å; L116-V123 HydrophobicContact CD2-CG2 3.46Å; L116-V123 VanDerWaalsContact CD2-CG2 3.46Å; L116-V146 HydrophobicContact CD1-CB 4.4Å; L116-V146 HydrophobicContact CD1-CG1 3.94Å; L116-V146 HydrophobicContact CD1-CG2 4.43Å; L116-L149 HydrophobicContact CB-CD1 4.09Å; L116-L149 HydrophobicContact CD1-CB 4.22Å; L116-L149 HydrophobicContact CD1-CD1 4.42Å; L116-L150 HydrophobicContact CD1-CD2 4.22Å; L116-L150 HydrophobicContact CD1-CG 4.1Å; L116-L150 HydrophobicContact CD2-CD2 3.7Å; L116-L150 HydrophobicContact CD2-CG 4.39Å
117L89.5Confident89.8Confident30 Ų3035 Ų3516%0.15719%0.188CC..Hα-helixtrans-66.5-33.4180-71.5175.4000112.6V113 V114 E119 F145 L149 F690 V705 P707V113-L117 HydrophobicContact CG1-CD1 3.86Å; V113-L117 HydrophobicContact CG1-CG 4.4Å; V113-L117 WeakPolarHBondContact O-CB 3.45Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 3.36Å; V114-L117 PolarHBondContact O-N 2.74Å; L117-E119 VanDerWaalsContact C-N 3.27Å; L117-F145 HydrophobicContact CD1-CE1 4.16Å; L117-F145 HydrophobicContact CD1-CZ 4.4Å; L117-F145 HydrophobicContact CD2-CZ 4.23Å; L117-L149 HydrophobicContact CD2-CD1 3.94Å; L117-L149 HydrophobicContact CD2-CD2 4.2Å; L117-L149 HydrophobicContact CG-CD1 4.11Å; L117-F690 HydrophobicContact CD1-CE1 3.51Å; L117-F690 HydrophobicContact CD1-CZ 3.81Å; L117-V705 HydrophobicContact CD1-CG1 4.2Å; L117-P707 HydrophobicContact CB-CG 3.91Å; L117-P707 HydrophobicContact CD1-CG 4.23Å
118M87.6Confident89.7Confident79 Ų7935 Ų3539%0.38919%0.188SC..THydrogen-bonded Turntrans-86.45.5175.6-62-62-80.800113.3V114 L116 R120 P707V114-M118 HydrophobicContact CG1-CG 4.28Å; V114-M118 WeakPolarHBondContact O-CB 3.37Å; V114-M118 VanDerWaalsContact O-CG 3.27Å; V114-M118 WeakPolarHBondContact O-CG 3.32Å; V114-M118 PolarHBondContact O-N 2.89Å; L116-M118 VanDerWaalsContact C-N 3.32Å; L116-M118 PolarHBondContact O-N 3.44Å; M118-R120 HydrophobicContact CB-CG 4.06Å; M118-R120 PolarHBondContact O-N 3.41Å; M118-R120 VanDerWaalsContact O-N 3.15Å; M118-P707 HydrophobicContact CG-CG 3.74Å; M118-P707 HydrophobicContact SD-CG 3.73Å
119E87.4Confident89.8Confident127 Ų12732.9 Ų32.959%0.59317%0.173SC*.THydrogen-bonded Turntrans54.931.5176.7-52.2-169.9151.800114.7D115 L116 L117 R153D115-E119 PolarHBondContact O-N 3.29Å; L116-E119 PolarHBondContact O-N 2.83Å; L116-E119 VanDerWaalsContact O-N 3.14Å; L117-E119 VanDerWaalsContact C-N 3.27Å; E119-R153 IonicContact OE1-CZ 3.47Å; E119-R153 IonicContact OE1-NH1 3.64Å; E119-R153 IonicContact OE1-NH2 3.99Å; E119-R153 PolarHBondContact OE1-NH2 3.46Å
120R87.9Confident90.1Very high60 Ų6032.2 Ų32.223%0.22617%0.169CC..  trans-77.6-31-179.8-64172.1-179.1-178.3-6.2112.4N92 D115 M118N92-R120 VanDerWaalsContact CG-NH1 3.28Å; N92-R120 PolarHBondContact ND2-NH2 3.32Å; N92-R120 PolarHBondContact OD1-NH1 3.38Å; D115-R120 HydrophobicContact CB-CB 4.37Å; D115-R120 PolarHBondContact O-N 3.01Å; D115-R120 VanDerWaalsContact OD1-CD 3.23Å; D115-R120 WeakPolarHBondContact OD1-CD 3.33Å; D115-R120 IonicContact OD1-CZ 3.23Å; D115-R120 IonicContact OD1-NE 3.7Å; D115-R120 IonicContact OD1-NH1 2.66Å; D115-R120 PolarHBondContact OD1-NH1 3.27Å; M118-R120 HydrophobicContact CB-CG 4.06Å; M118-R120 PolarHBondContact O-N 3.41Å; M118-R120 VanDerWaalsContact O-N 3.15Å
121M87.7Confident90.5Very high3 Ų328.9 Ų28.92%0.01516%0.156CC..SBendtrans-97130.2178.8-177.3-178.86400110.2L56 L58 Y99 L112 L116 V123 V126 L150L56-M121 HydrophobicContact CD2-CG 4.45Å; L56-M121 HydrophobicContact CD2-SD 4.37Å; L58-M121 HydrophobicContact CD1-CE 3.85Å; L58-M121 HydrophobicContact CD1-SD 3.79Å; L58-M121 HydrophobicContact CD2-SD 3.95Å; L58-M121 HydrophobicContact CG-SD 4.46Å; Y99-M121 HydrophobicContact CD1-CG 3.9Å; Y99-M121 HydrophobicContact CD1-SD 3.73Å; Y99-M121 HydrophobicContact CD2-CB 3.92Å; Y99-M121 HydrophobicContact CD2-CG 4.1Å; Y99-M121 HydrophobicContact CE1-CG 4.34Å; Y99-M121 HydrophobicContact CE1-SD 3.75Å; Y99-M121 HydrophobicContact CE2-CB 4.19Å; Y99-M121 HydrophobicContact CG-CB 4.13Å; Y99-M121 HydrophobicContact CG-CG 3.78Å; Y99-M121 HydrophobicContact CG-SD 4.23Å; L112-M121 HydrophobicContact CD1-CE 3.92Å; L112-M121 HydrophobicContact CD1-SD 4.21Å; L116-M121 HydrophobicContact CD2-CE 3.31Å; L116-M121 HydrophobicContact CG-CE 3.93Å; M121-V123 HydrophobicContact CE-CG2 4.46Å; M121-V123 PolarHBondContact O-N 3.1Å; M121-V126 HydrophobicContact CE-CG2 3.91Å; M121-V126 HydrophobicContact SD-CG2 4.02Å; M121-L150 HydrophobicContact CE-CD2 3.92Å
122P86.9Confident90.6Very high35 Ų3528 Ų2823%0.22715%0.152CC..  trans-71.194.2173.729.4-34000110.7S124 L125P122-S124 PolarHBondContact O-N 2.77Å; P122-L125 HydrophobicContact CB-CD1 3.96Å; P122-L125 HydrophobicContact CB-CG 4.13Å; P122-L125 HydrophobicContact CG-CB 4.48Å; P122-L125 HydrophobicContact CG-CD1 3.73Å; P122-L125 HydrophobicContact CG-CG 4.27Å; P122-L125 PolarHBondContact O-N 3.26Å; P122-L125 VanDerWaalsContact O-N 3.08Å
123V89.4Confident90.6Very high7 Ų729.1 Ų29.14%0.04216%0.156CC..G310 helixtrans-60.4-29.2-175.2-176.20000113.1L116 M121 L125 V126 L150 R153L116-V123 HydrophobicContact CD2-CG2 3.46Å; L116-V123 VanDerWaalsContact CD2-CG2 3.46Å; M121-V123 HydrophobicContact CE-CG2 4.46Å; M121-V123 PolarHBondContact O-N 3.1Å; V123-L125 PolarHBondContact O-N 2.88Å; V123-V126 PolarHBondContact O-N 3.43Å; V123-L150 HydrophobicContact CG1-CD2 3.67Å; V123-R153 HydrophobicContact CB-CB 4.15Å; V123-R153 HydrophobicContact CG1-CB 3.65Å; V123-R153 HydrophobicContact CG1-CG 4.4Å
124S88Confident90.7Very high98 Ų9829 Ų2969%0.68516%0.155SC*.G310 helixtrans-64.6-21.4177.4530000114P122P122-S124 PolarHBondContact O-N 2.77Å
125L87.8Confident90.8Very high99 Ų9929.6 Ų29.652%0.51816%0.157SC..G310 helixtrans-90.4-11.1179.9-59.8-178.1000113L56 P122 V123 S127L56-L125 WeakPolarHBondContact CB-O 3.4Å; P122-L125 HydrophobicContact CB-CD1 3.96Å; P122-L125 HydrophobicContact CB-CG 4.13Å; P122-L125 HydrophobicContact CG-CB 4.48Å; P122-L125 HydrophobicContact CG-CD1 3.73Å; P122-L125 HydrophobicContact CG-CG 4.27Å; P122-L125 PolarHBondContact O-N 3.26Å; P122-L125 VanDerWaalsContact O-N 3.08Å; V123-L125 PolarHBondContact O-N 2.88Å; L125-S127 PolarHBondContact O-N 3.01Å
126V92.7Very high90.6Very high1 Ų133 Ų331%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-71.4113.3-177.3-175.40000109.2L56 L58 M121 V123 L150 N154 L157L56-V126 HydrophobicContact CD2-CG2 3.87Å; L56-V126 HydrophobicContact CG-CG2 4.44Å; L58-V126 HydrophobicContact CD1-CG1 3.89Å; L58-V126 HydrophobicContact CD1-CG2 4.24Å; L58-V126 HydrophobicContact CG-CG1 4.13Å; M121-V126 HydrophobicContact CE-CG2 3.91Å; M121-V126 HydrophobicContact SD-CG2 4.02Å; V123-V126 PolarHBondContact O-N 3.43Å; V126-L150 HydrophobicContact CG2-CD2 4.26Å; V126-N154 PolarHBondContact O-ND2 3.02Å; V126-L157 HydrophobicContact CB-CD1 4.31Å; V126-L157 HydrophobicContact CG1-CD1 3.63Å
127S91.5Very high90.5Very high30 Ų3033 Ų3321%0.2117%0.173CC..EExtended strand (participates in β ladder)trans-78.1-39.6179.8-44.70000111.5N55 L56 L125 F158N55-S127 WeakPolarHBondContact CA-OG 3.4Å; N55-S127 PolarHBondContact OD1-OG 2.96Å; L56-S127 PolarHBondContact N-OG 3.38Å; L56-S127 VanDerWaalsContact N-OG 3.15Å; L56-S127 PolarHBondContact O-N 3.5Å; L125-S127 PolarHBondContact O-N 3.01Å; S127-F158 WeakPolarHBondContact O-CD1 3.31Å; S127-F158 VanDerWaalsContact O-CE1 3.27Å; S127-F158 WeakPolarHBondContact O-CE1 3.32Å
128G92.3Very high90Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-168.5168.1-177.200000114.4V57 L58 L157 F158V57-G128 WeakPolarHBondContact CA-O 3.3Å; L58-G128 PolarHBondContact N-O 3.4Å; L58-G128 VanDerWaalsContact N-O 3.11Å; G128-L157 VanDerWaalsContact CA-CD1 3.44Å; G128-F158 CarbonylContact C-O 3.6Å; G128-F158 WeakPolarHBondContact CA-O 3.22Å
129V94.6Very high89.2Confident1 Ų138.9 Ų38.91%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-124.6128.9176.5-178.10000109.8L58 I131 I147 L150 L157 F158 I159 K160L58-V129 HydrophobicContact CB-CG2 4.35Å; L58-V129 HydrophobicContact CD1-CG2 4.45Å; L58-V129 CarbonylContact O-C 3.4Å; L58-V129 WeakPolarHBondContact O-CA 3.47Å; V129-I131 HydrophobicContact CG1-CG1 3.97Å; V129-I147 HydrophobicContact CB-CD1 3.91Å; V129-I147 HydrophobicContact CG1-CD1 3.91Å; V129-I147 HydrophobicContact CG2-CD1 3.99Å; V129-L150 HydrophobicContact CG2-CD1 3.47Å; V129-L150 VanDerWaalsContact CG2-CD1 3.47Å; V129-L157 HydrophobicContact CG2-CD1 4.28Å; V129-L157 HydrophobicContact CG2-CD2 3.89Å; V129-L157 HydrophobicContact CG2-CG 4.49Å; V129-F158 PolarHBondContact N-O 3.06Å; V129-I159 WeakPolarHBondContact O-CA 3.35Å; V129-K160 PolarHBondContact O-N 3.39Å
130L95.4Very high88.6Confident1 Ų134.3 Ų34.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-104.1126170.8-53.4-176.8000108.9L47 V57 L58 V59 S60 F158 K160 F162L47-L130 HydrophobicContact CD2-CD1 3.41Å; L47-L130 VanDerWaalsContact CD2-CD1 3.41Å; L47-L130 HydrophobicContact CG-CD1 4.32Å; V57-L130 HydrophobicContact CG1-CD1 3.91Å; V57-L130 HydrophobicContact CG1-CD2 4.47Å; V57-L130 HydrophobicContact CG1-CG 3.68Å; L58-L130 PolarHBondContact O-N 3.43Å; V59-L130 WeakPolarHBondContact CA-O 3.38Å; V59-L130 HydrophobicContact CG2-CB 4.34Å; V59-L130 HydrophobicContact CG2-CD1 4.39Å; S60-L130 PolarHBondContact N-O 3.15Å; L130-F158 HydrophobicContact CD2-CE2 4.16Å; L130-K160 CarbonylContact C-O 3.58Å; L130-K160 WeakPolarHBondContact CA-O 3.29Å; L130-K160 HydrophobicContact CD2-CB 3.62Å; L130-K160 HydrophobicContact CD2-CD 3.89Å; L130-K160 HydrophobicContact CD2-CG 4.14Å; L130-F162 HydrophobicContact CB-CE2 4.37Å; L130-F162 HydrophobicContact CD2-CE2 4.19Å
131I95.3Very high88.3Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-112.7115.7179.5-60.3176.9000107.9N61 V129 L137 I147 I159 K160 A161 F162 L183N61-I131 HydrophobicContact CB-CG2 4.31Å; V129-I131 HydrophobicContact CG1-CG1 3.97Å; I131-L137 HydrophobicContact CG2-CD1 3.98Å; I131-I147 HydrophobicContact CD1-CD1 4.41Å; I131-I147 HydrophobicContact CD1-CG1 4.29Å; I131-I159 HydrophobicContact CD1-CG2 4.29Å; I131-K160 PolarHBondContact N-O 3.02Å; I131-A161 HydrophobicContact CB-CB 4.35Å; I131-A161 WeakPolarHBondContact O-CA 3.28Å; I131-F162 PolarHBondContact O-N 3.08Å; I131-L183 HydrophobicContact CD1-CD1 3.94Å; I131-L183 HydrophobicContact CD1-CD2 3.43Å; I131-L183 VanDerWaalsContact CD1-CD2 3.43Å; I131-L183 HydrophobicContact CD1-CG 4.32Å
132L94.2Very high88.3Confident2 Ų234.9 Ų34.91%0.0119%0.191CC..SBendtrans-85.5157.3174.5-53.1-169.9000110.3I43 V59 S60 N61 E66 A134 F162I43-L132 HydrophobicContact CD1-CD1 4.5Å; I43-L132 HydrophobicContact CD1-CD2 3.65Å; I43-L132 HydrophobicContact CG1-CD2 4.04Å; I43-L132 HydrophobicContact CG2-CD2 4.15Å; V59-L132 HydrophobicContact CG1-CD1 4.02Å; V59-L132 HydrophobicContact CG1-CG 3.94Å; S60-L132 PolarHBondContact O-N 3.09Å; S60-L132 VanDerWaalsContact O-N 3.08Å; N61-L132 WeakPolarHBondContact CB-O 3.45Å; N61-L132 PolarHBondContact ND2-O 3.22Å; N61-L132 CarbonylContact O-C 3.6Å; N61-L132 WeakPolarHBondContact O-CB 3.26Å; E66-L132 HydrophobicContact CG-CD1 4.44Å; L132-A134 PolarHBondContact O-N 3.48Å; L132-F162 HydrophobicContact CD2-CB 4.4Å; L132-F162 HydrophobicContact CD2-CD2 3.82Å; L132-F162 HydrophobicContact CD2-CG 4.42Å
133R92.2Very high88.4Confident22 Ų2233.3 Ų33.38%0.08318%0.181CC..  trans45.253.2178.8-63.4-172.4-60.5-71.2-14114.1N61 Y62 E66 H135 E136 F162N61-R133 VanDerWaalsContact C-NH2 3.28Å; N61-R133 PolarHBondContact ND2-O 3.49Å; N61-R133 VanDerWaalsContact O-CZ 3.3Å; N61-R133 PolarHBondContact O-NH2 2.85Å; Y62-R133 PolarHBondContact O-NH2 2.93Å; E66-R133 IonicContact OE1-NH1 3.49Å; E66-R133 IonicContact OE2-CZ 2.97Å; E66-R133 IonicContact OE2-NH1 3.51Å; E66-R133 PolarHBondContact OE2-NH1 2.85Å; R133-H135 PolarHBondContact O-N 2.89Å; R133-E136 HydrophobicContact CB-CG 4.26Å; R133-E136 IonicContact CZ-OE2 2.66Å; R133-E136 IonicContact NE-OE1 2.69Å; R133-E136 IonicContact NE-OE2 3.02Å; R133-E136 PolarHBondContact NE-OE2 2.91Å; R133-E136 IonicContact NH2-OE2 3.84Å; R133-E136 PolarHBondContact O-N 3.33Å; R133-F162 WeakPolarHBondContact CA-O 3.08Å; R133-F162 PolarHBondContact N-O 3.32Å
134A92.7Very high88.3Confident0 Ų033.9 Ų33.90%019%0.185CC..G310 helixtrans-58.4-20.1-176.600000114.2L30 L132 E136 L137 A161 F162 I179L30-A134 HydrophobicContact CD1-CB 3.8Å; L132-A134 PolarHBondContact O-N 3.48Å; A134-E136 PolarHBondContact O-N 3.42Å; A134-L137 HydrophobicContact CB-CD1 4.38Å; A134-L137 WeakPolarHBondContact O-CB 3.28Å; A134-L137 WeakPolarHBondContact O-CG 3.47Å; A134-L137 PolarHBondContact O-N 3.2Å; A134-A161 HydrophobicContact CB-CB 3.99Å; A134-F162 PolarHBondContact N-O 2.79Å; A134-I179 VanDerWaalsContact O-CD1 3.31Å; A134-I179 WeakPolarHBondContact O-CD1 3.45Å
135H90.4Very high88.3Confident22 Ų2229.5 Ų29.510%0.10215%0.154CC..G310 helixtrans-69.4-13.7174.463.9-93.7000114.9R133 L137 S163 D164 L169R133-H135 PolarHBondContact O-N 2.89Å; H135-L137 VanDerWaalsContact C-N 3.32Å; H135-S163 WeakPolarHBondContact CB-OG 3.15Å; H135-S163 PolarHBondContact ND1-OG 3.12Å; H135-D164 IonicContact CE1-OD1 3.02Å; H135-D164 PolarHBondContact CE1-OD1 3.05Å; H135-D164 IonicContact ND1-OD1 3.13Å; H135-L169 HydrophobicContact CB-CD2 3.96Å; H135-L169 HydrophobicContact CB-CG 3.97Å
136E87.8Confident88.5Confident71 Ų7124.9 Ų24.933%0.33213%0.129SC..G310 helixtrans-86-5.8174.2-63.5177.615900111.6R63 R133 A134R63-E136 IonicContact NH2-OE1 2.63Å; R63-E136 PolarHBondContact NH2-OE1 3.08Å; R133-E136 HydrophobicContact CB-CG 4.26Å; R133-E136 IonicContact CZ-OE2 2.66Å; R133-E136 IonicContact NE-OE1 2.69Å; R133-E136 IonicContact NE-OE2 3.02Å; R133-E136 PolarHBondContact NE-OE2 2.91Å; R133-E136 IonicContact NH2-OE2 3.84Å; R133-E136 PolarHBondContact O-N 3.33Å; A134-E136 PolarHBondContact O-N 3.42Å
137L88.3Confident88.4Confident5 Ų524.9 Ų24.93%0.02613%0.129CC..  trans-80132.5-176.6-60.6-179.3000112.2I131 A134 H135 C141 D143 H175 I179 L183I131-L137 HydrophobicContact CG2-CD1 3.98Å; A134-L137 HydrophobicContact CB-CD1 4.38Å; A134-L137 WeakPolarHBondContact O-CB 3.28Å; A134-L137 WeakPolarHBondContact O-CG 3.47Å; A134-L137 PolarHBondContact O-N 3.2Å; H135-L137 VanDerWaalsContact C-N 3.32Å; L137-C141 HydrophobicContact CD2-CB 4.24Å; L137-C141 WeakPolarHBondContact CD2-SG 3.44Å; L137-D143 HydrophobicContact CD2-CB 4.06Å; L137-H175 PolarHBondContact O-CE1 2.83Å; L137-I179 HydrophobicContact CB-CG1 4.39Å; L137-I179 HydrophobicContact CD1-CG2 4.29Å; L137-L183 HydrophobicContact CD1-CD1 4.01Å; L137-L183 HydrophobicContact CD1-CD2 4.33Å; L137-L183 HydrophobicContact CD1-CG 4.5Å
138H80.7Confident88.1Confident134 Ų13424.9 Ų24.962%0.6213%0.126SC*.  trans-105.6170.3172.9-57.6-53.2000112.2A140 C141H138-A140 PolarHBondContact O-N 3.1Å; H138-A140 VanDerWaalsContact O-N 3.15Å; H138-C141 VanDerWaalsContact O-CB 3.31Å; H138-C141 WeakPolarHBondContact O-CB 3.41Å; H138-C141 PolarHBondContact O-N 3.19Å
139E70.8Confident88Confident98 Ų9825.4 Ų25.446%0.45813%0.129SC..THydrogen-bonded Turntrans-52.8-37.5-179-72-178.4-162.800113.7R178 L182E139-R178 WeakPolarHBondContact OE1-CD 3.44Å; E139-R178 IonicContact OE1-CZ 3.57Å; E139-R178 IonicContact OE1-NE 3.65Å; E139-R178 IonicContact OE1-NH1 3.15Å; E139-R178 PolarHBondContact OE1-NH1 2.85Å; E139-L182 HydrophobicContact CB-CD1 4.43Å; E139-L182 HydrophobicContact CG-CD1 4.4Å; E139-L182 WeakPolarHBondContact O-CD2 3.23Å
140A74.1Confident87.8Confident32 Ų3225.4 Ų25.426%0.26413%0.129SC..THydrogen-bonded Turntrans-109.536.4179.300000113.2H138 E693H138-A140 PolarHBondContact O-N 3.1Å; H138-A140 VanDerWaalsContact O-N 3.15Å; A140-E693 HydrophobicContact CB-CB 3.46Å; A140-E693 VanDerWaalsContact CB-CB 3.46Å; A140-E693 HydrophobicContact CB-CG 3.13Å; A140-E693 WeakPolarHBondContact CB-OE1 3.36Å
141C81.4Confident87.4Confident31 Ų3128.9 Ų28.921%0.20914%0.142CC..  trans-65.4146.7173.6-168.20000111.2L137 H138 D143 S144L137-C141 HydrophobicContact CD2-CB 4.24Å; L137-C141 WeakPolarHBondContact CD2-SG 3.44Å; H138-C141 VanDerWaalsContact O-CB 3.31Å; H138-C141 WeakPolarHBondContact O-CB 3.41Å; H138-C141 PolarHBondContact O-N 3.19Å; C141-D143 PolarHBondContact O-N 3.19Å; C141-D143 PolarHBondContact SG-OD2 2.87Å; C141-S144 PolarHBondContact O-N 3.38Å; C141-S144 VanDerWaalsContact O-N 3.12Å; C141-S144 PolarHBondContact O-OG 3.42Å
142Q87.4Confident86.9Confident44 Ų4432.5 Ų32.521%0.20616%0.159CC..Hα-helixtrans-58.4-30.7172.9-68.3170.4-8.700112.2R110 V113 S144 F145 V146 F690R110-Q142 VanDerWaalsContact N-OE1 3.13Å; V113-Q142 HydrophobicContact CG2-CB 4.31Å; Q142-S144 VanDerWaalsContact C-N 3.33Å; Q142-S144 PolarHBondContact O-N 3.44Å; Q142-F145 WeakPolarHBondContact O-CB 3.35Å; Q142-F145 PolarHBondContact O-N 3.24Å; Q142-F145 VanDerWaalsContact O-N 3.16Å; Q142-V146 WeakPolarHBondContact O-CG2 3.39Å; Q142-V146 PolarHBondContact O-N 2.89Å; Q142-F690 WeakPolarHBondContact CG-O 3.38Å; Q142-F690 PolarHBondContact NE2-O 2.97Å
143D89.4Confident86.6Confident2 Ų238.2 Ų38.21%0.01118%0.18CC..Hα-helixtrans-63.2-36.1176.7-72.9-75000112.8S60 S109 L137 C141 F145 V146 I147S60-D143 WeakPolarHBondContact CB-OD1 3.33Å; S60-D143 PolarHBondContact OG-OD1 3.24Å; S109-D143 WeakPolarHBondContact CB-OD2 3.43Å; S109-D143 PolarHBondContact OG-OD1 3.25Å; S109-D143 VanDerWaalsContact OG-OD1 3.14Å; S109-D143 PolarHBondContact OG-OD2 3.42Å; L137-D143 HydrophobicContact CD2-CB 4.06Å; C141-D143 PolarHBondContact O-N 3.19Å; C141-D143 PolarHBondContact SG-OD2 2.87Å; D143-F145 VanDerWaalsContact C-N 3.27Å; D143-F145 PolarHBondContact O-N 3.17Å; D143-V146 PolarHBondContact O-N 3.35Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.03Å
144S87.5Confident86.3Confident19 Ų1938.6 Ų38.613%0.13318%0.184CC..Hα-helixtrans-63.9-39.5174.975.70000110.4C141 Q142 I147 Q148C141-S144 PolarHBondContact O-N 3.38Å; C141-S144 VanDerWaalsContact O-N 3.12Å; C141-S144 PolarHBondContact O-OG 3.42Å; Q142-S144 VanDerWaalsContact C-N 3.33Å; Q142-S144 PolarHBondContact O-N 3.44Å; S144-I147 PolarHBondContact O-N 2.97Å; S144-Q148 VanDerWaalsContact O-CB 3.29Å; S144-Q148 WeakPolarHBondContact O-CB 3.23Å; S144-Q148 PolarHBondContact O-N 3.29Å
145F88.3Confident85.9Confident6 Ų643.6 Ų43.63%0.02622%0.216CC..Hα-helixtrans-67.1-40.2176.2-174.3-140.4000112.6V113 L117 Q142 D143 Q148 L149 F690 A696 H699V113-F145 HydrophobicContact CB-CD1 4.42Å; V113-F145 HydrophobicContact CG1-CD1 3.58Å; V113-F145 HydrophobicContact CG1-CE1 3.47Å; V113-F145 VanDerWaalsContact CG1-CE1 3.47Å; V113-F145 HydrophobicContact CG2-CD1 3.87Å; L117-F145 HydrophobicContact CD1-CE1 4.16Å; L117-F145 HydrophobicContact CD1-CZ 4.4Å; L117-F145 HydrophobicContact CD2-CZ 4.23Å; Q142-F145 WeakPolarHBondContact O-CB 3.35Å; Q142-F145 PolarHBondContact O-N 3.24Å; Q142-F145 VanDerWaalsContact O-N 3.16Å; D143-F145 VanDerWaalsContact C-N 3.27Å; D143-F145 PolarHBondContact O-N 3.17Å; F145-Q148 WeakPolarHBondContact O-CB 3.32Å; F145-Q148 PolarHBondContact O-N 3.05Å; F145-L149 HydrophobicContact CD1-CD1 4.39Å; F145-L149 HydrophobicContact CD2-CD1 4.34Å; F145-L149 HydrophobicContact CD2-CG 4.15Å; F145-L149 HydrophobicContact CE1-CD1 4.03Å; F145-L149 HydrophobicContact CE2-CD1 3.94Å; F145-L149 HydrophobicContact CE2-CD2 3.94Å; F145-L149 HydrophobicContact CE2-CG 3.81Å; F145-L149 HydrophobicContact CZ-CD1 3.78Å; F145-L149 HydrophobicContact CZ-CD2 4.24Å; F145-L149 HydrophobicContact CZ-CG 4.15Å; F145-L149 WeakPolarHBondContact O-CG 3.45Å; F145-L149 PolarHBondContact O-N 2.91Å; F145-F690 HydrophobicContact CE1-CE1 4.42Å; F145-A696 HydrophobicContact CB-CB 3.91Å; F145-A696 HydrophobicContact CD1-CB 4.31Å; F145-A696 HydrophobicContact CD2-CB 3.89Å; F145-A696 HydrophobicContact CG-CB 3.78Å; F145-H699 HydrophobicContact CE2-CB 3.56Å; F145-H699 AromaticContact CE2-CG 3.61Å; F145-H699 AromaticContact CE2-ND1 3.83Å; F145-H699 HydrophobicContact CZ-CB 3.88Å
146V91.4Very high85.6Confident1 Ų151 Ų511%0.00625%0.251CS..Hα-helixtrans-58.3-52.1172.5166.30000111L112 V113 L116 Q142 D143 Q148 L149 L150L112-V146 HydrophobicContact CB-CG2 4.14Å; L112-V146 HydrophobicContact CD2-CB 4.38Å; L112-V146 HydrophobicContact CD2-CG1 3.38Å; L112-V146 HydrophobicContact CD2-CG2 4.09Å; L112-V146 HydrophobicContact CG-CG1 3.78Å; L112-V146 HydrophobicContact CG-CG2 3.97Å; V113-V146 HydrophobicContact CB-CG2 4.5Å; V113-V146 HydrophobicContact CG2-CG2 3.47Å; V113-V146 VanDerWaalsContact CG2-CG2 3.47Å; L116-V146 HydrophobicContact CD1-CB 4.4Å; L116-V146 HydrophobicContact CD1-CG1 3.94Å; L116-V146 HydrophobicContact CD1-CG2 4.43Å; Q142-V146 WeakPolarHBondContact O-CG2 3.39Å; Q142-V146 PolarHBondContact O-N 2.89Å; D143-V146 PolarHBondContact O-N 3.35Å; V146-Q148 PolarHBondContact O-N 3.18Å; V146-L149 PolarHBondContact O-N 3.03Å; V146-L150 HydrophobicContact CG1-CD1 3.75Å; V146-L150 HydrophobicContact CG1-CG 4.32Å; V146-L150 WeakPolarHBondContact O-CG 3.26Å; V146-L150 PolarHBondContact O-N 2.89Å
147I90.5Very high85.7Confident2 Ų248 Ų481%0.0124%0.237CC..Hα-helixtrans-60.9-39.7-178.8-69.2-55.7000110.6V129 I131 D143 S144 L150 R151 L157 I159 L183V129-I147 HydrophobicContact CB-CD1 3.91Å; V129-I147 HydrophobicContact CG1-CD1 3.91Å; V129-I147 HydrophobicContact CG2-CD1 3.99Å; I131-I147 HydrophobicContact CD1-CD1 4.41Å; I131-I147 HydrophobicContact CD1-CG1 4.29Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.03Å; S144-I147 PolarHBondContact O-N 2.97Å; I147-L150 PolarHBondContact O-N 3.41Å; I147-R151 HydrophobicContact CG2-CG 4.4Å; I147-R151 WeakPolarHBondContact O-CB 3.4Å; I147-R151 WeakPolarHBondContact O-CG 3.07Å; I147-R151 PolarHBondContact O-N 3.46Å; I147-L157 HydrophobicContact CD1-CD2 4.48Å; I147-I159 HydrophobicContact CD1-CD1 3.87Å; I147-I159 HydrophobicContact CD1-CG1 4.05Å; I147-I159 HydrophobicContact CD1-CG2 4.5Å; I147-I159 HydrophobicContact CG1-CD1 4.36Å; I147-I159 HydrophobicContact CG2-CD1 3.53Å; I147-L183 HydrophobicContact CG1-CD2 4.08Å
148Q85.9Confident85.9Confident29 Ų2949.7 Ų49.714%0.13624%0.244CC..Hα-helixtrans-58.6-52.4174.8-174.8175.61.100111.5S144 F145 V146 L150 R151 E152 Y669S144-Q148 VanDerWaalsContact O-CB 3.29Å; S144-Q148 WeakPolarHBondContact O-CB 3.23Å; S144-Q148 PolarHBondContact O-N 3.29Å; F145-Q148 WeakPolarHBondContact O-CB 3.32Å; F145-Q148 PolarHBondContact O-N 3.05Å; V146-Q148 PolarHBondContact O-N 3.18Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 3.08Å; Q148-R151 PolarHBondContact O-N 3.29Å; Q148-E152 WeakPolarHBondContact O-CG 3.46Å; Q148-E152 PolarHBondContact O-N 3.14Å; Q148-Y669 WeakPolarHBondContact CG-OH 3.44Å; Q148-Y669 PolarHBondContact NE2-OH 2.87Å
149L88.7Confident86.5Confident12 Ų1243.3 Ų43.36%0.06322%0.215CC..Hα-helixtrans-62.3-36.3178.4-70174.9000113.1L116 L117 F145 V146 H699L116-L149 HydrophobicContact CB-CD1 4.09Å; L116-L149 HydrophobicContact CD1-CB 4.22Å; L116-L149 HydrophobicContact CD1-CD1 4.42Å; L117-L149 HydrophobicContact CD2-CD1 3.94Å; L117-L149 HydrophobicContact CD2-CD2 4.2Å; L117-L149 HydrophobicContact CG-CD1 4.11Å; F145-L149 HydrophobicContact CD1-CD1 4.39Å; F145-L149 HydrophobicContact CD2-CD1 4.34Å; F145-L149 HydrophobicContact CD2-CG 4.15Å; F145-L149 HydrophobicContact CE1-CD1 4.03Å; F145-L149 HydrophobicContact CE2-CD1 3.94Å; F145-L149 HydrophobicContact CE2-CD2 3.94Å; F145-L149 HydrophobicContact CE2-CG 3.81Å; F145-L149 HydrophobicContact CZ-CD1 3.78Å; F145-L149 HydrophobicContact CZ-CD2 4.24Å; F145-L149 HydrophobicContact CZ-CG 4.15Å; F145-L149 WeakPolarHBondContact O-CG 3.45Å; F145-L149 PolarHBondContact O-N 2.91Å; V146-L149 PolarHBondContact O-N 3.03Å; L149-H699 VanDerWaalsContact CD2-CE1 3.42Å; L149-H699 WeakPolarHBondContact CD2-CE1 3.28Å
150L91.1Very high87.6Confident1 Ų138.9 Ų38.91%0.00519%0.194CC..Hα-helixtrans-68.3-44.6177.8-72.8172.7000111.6L58 L116 M121 V123 V126 V129 V146 I147 Q148 E152 R153 N154 L157L58-L150 HydrophobicContact CD1-CD1 4.36Å; L116-L150 HydrophobicContact CD1-CD2 4.22Å; L116-L150 HydrophobicContact CD1-CG 4.1Å; L116-L150 HydrophobicContact CD2-CD2 3.7Å; L116-L150 HydrophobicContact CD2-CG 4.39Å; M121-L150 HydrophobicContact CE-CD2 3.92Å; V123-L150 HydrophobicContact CG1-CD2 3.67Å; V126-L150 HydrophobicContact CG2-CD2 4.26Å; V129-L150 HydrophobicContact CG2-CD1 3.47Å; V129-L150 VanDerWaalsContact CG2-CD1 3.47Å; V146-L150 HydrophobicContact CG1-CD1 3.75Å; V146-L150 HydrophobicContact CG1-CG 4.32Å; V146-L150 WeakPolarHBondContact O-CG 3.26Å; V146-L150 PolarHBondContact O-N 2.89Å; I147-L150 PolarHBondContact O-N 3.41Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 3.08Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 2.84Å; L150-R153 PolarHBondContact O-N 3.43Å; L150-N154 PolarHBondContact O-N 2.85Å; L150-L157 HydrophobicContact CB-CD2 3.99Å; L150-L157 HydrophobicContact CD1-CD2 4.15Å
151R88.1Confident88.6Confident73 Ų7337.4 Ų37.428%0.27518%0.182SC..Hα-helixtrans-66.7-30.2-178.6-78.7177.2164.3175.7-8.5113.8I147 Q148 R153 L183 G184I147-R151 HydrophobicContact CG2-CG 4.4Å; I147-R151 WeakPolarHBondContact O-CB 3.4Å; I147-R151 WeakPolarHBondContact O-CG 3.07Å; I147-R151 PolarHBondContact O-N 3.46Å; Q148-R151 PolarHBondContact O-N 3.29Å; R151-R153 PolarHBondContact O-N 3.31Å; R151-L183 PolarHBondContact NH1-O 3.1Å; R151-L183 PolarHBondContact NH2-O 3.47Å; R151-G184 VanDerWaalsContact NH1-CA 3.28Å; R151-G184 PolarHBondContact NH2-O 3.28Å
152E84.9Confident89.3Confident76 Ų7636 Ų3636%0.35517%0.172SC..Hα-helixtrans-57.5-35.7174.3-75.5169.3-157.500112.4Q148 L150 Y669 H699Q148-E152 WeakPolarHBondContact O-CG 3.46Å; Q148-E152 PolarHBondContact O-N 3.14Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 2.84Å; E152-Y669 VanDerWaalsContact CD-OH 3.25Å; E152-Y669 HydrophobicContact CG-CE1 3.91Å; E152-Y669 HydrophobicContact CG-CE2 4.21Å; E152-Y669 WeakPolarHBondContact CG-OH 3.5Å; E152-Y669 WeakPolarHBondContact OE1-CE1 3.27Å; E152-Y669 PolarHBondContact OE1-OH 3.35Å; E152-H699 IonicContact OE1-CE1 3.63Å; E152-H699 PolarHBondContact OE1-CE1 3.47Å; E152-H699 IonicContact OE1-ND1 3.9Å; E152-H699 IonicContact OE2-CE1 3.35Å; E152-H699 PolarHBondContact OE2-CE1 3.4Å
153R86.5Confident89.7Confident123 Ų12334 Ų3446%0.46416%0.163SC..Hα-helixtrans-102.9-31-175.8-62.7175.5-176.8-161.3-7.6112.8E119 V123 L150 R151E119-R153 IonicContact OE1-CZ 3.47Å; E119-R153 IonicContact OE1-NH1 3.64Å; E119-R153 IonicContact OE1-NH2 3.99Å; E119-R153 PolarHBondContact OE1-NH2 3.46Å; V123-R153 HydrophobicContact CB-CB 4.15Å; V123-R153 HydrophobicContact CG1-CB 3.65Å; V123-R153 HydrophobicContact CG1-CG 4.4Å; L150-R153 PolarHBondContact O-N 3.43Å; R151-R153 PolarHBondContact O-N 3.31Å
154N87.3Confident89.8Confident30 Ų3036.1 Ų36.116%0.1617%0.174CC..  trans-133.492.7177.3-1734.3000111.1V126 L150 Q156V126-N154 PolarHBondContact O-ND2 3.02Å; L150-N154 PolarHBondContact O-N 2.85Å; N154-Q156 VanDerWaalsContact C-N 3.26Å; N154-Q156 PolarHBondContact O-N 3.36Å; N154-Q156 PolarHBondContact OD1-N 3.43Å
155P83.5Confident89.9Confident105 Ų10537.7 Ų37.768%0.68218%0.181SC*.THydrogen-bonded Turntrans-72.2-17.4179.928.4-34.5000113.5L157P155-L157 PolarHBondContact O-N 2.99Å
156Q84.1Confident90Very high176 Ų17637.5 Ų37.582%0.82218%0.181SC*.THydrogen-bonded Turntrans-87.613.9-177.8-64.1-172.8-4.700113.6N154 F158N154-Q156 VanDerWaalsContact C-N 3.26Å; N154-Q156 PolarHBondContact O-N 3.36Å; N154-Q156 PolarHBondContact OD1-N 3.43Å; Q156-F158 PolarHBondContact O-N 3.32Å
157L89.3Confident89.8Confident9 Ų939.7 Ų39.75%0.04719%0.192CC..  trans-67.4125.4179.5-174.882.4000111.7V126 G128 V129 I147 L150 P155 I159V126-L157 HydrophobicContact CB-CD1 4.31Å; V126-L157 HydrophobicContact CG1-CD1 3.63Å; G128-L157 VanDerWaalsContact CA-CD1 3.44Å; V129-L157 HydrophobicContact CG2-CD1 4.28Å; V129-L157 HydrophobicContact CG2-CD2 3.89Å; V129-L157 HydrophobicContact CG2-CG 4.49Å; I147-L157 HydrophobicContact CD1-CD2 4.48Å; L150-L157 HydrophobicContact CB-CD2 3.99Å; L150-L157 HydrophobicContact CD1-CD2 4.15Å; P155-L157 PolarHBondContact O-N 2.99Å; L157-I159 HydrophobicContact CD2-CD1 4.33Å; L157-I159 HydrophobicContact CD2-CG1 4.01Å; L157-I159 HydrophobicContact CG-CG1 4.41Å
158F92Very high89.6Confident41 Ų4141.4 Ų41.418%0.1820%0.204CC..EExtended strand (participates in β ladder)trans-81.7141.4167.873.8-97000110.9H50 V57 S127 G128 V129 L130 Q156 K160H50-F158 AromaticContact CE1-CE1 3.89Å; H50-F158 AromaticContact CE1-CZ 3.43Å; H50-F158 VanDerWaalsContact CE1-CZ 3.43Å; H50-F158 WeakPolarHBondContact CE1-CZ 2.93Å; H50-F158 AromaticContact ND1-CZ 3.89Å; H50-F158 AromaticContact NE2-CE2 3.88Å; H50-F158 AromaticContact NE2-CZ 3.54Å; V57-F158 HydrophobicContact CG2-CZ 3.99Å; S127-F158 WeakPolarHBondContact O-CD1 3.31Å; S127-F158 VanDerWaalsContact O-CE1 3.27Å; S127-F158 WeakPolarHBondContact O-CE1 3.32Å; G128-F158 CarbonylContact C-O 3.6Å; G128-F158 WeakPolarHBondContact CA-O 3.22Å; V129-F158 PolarHBondContact N-O 3.06Å; L130-F158 HydrophobicContact CD2-CE2 4.16Å; Q156-F158 PolarHBondContact O-N 3.32Å; F158-K160 HydrophobicContact CD2-CD 4Å; F158-K160 HydrophobicContact CD2-CG 4.05Å; F158-K160 HydrophobicContact CE2-CD 4.02Å; F158-K160 HydrophobicContact CE2-CG 4.44Å
159I93.6Very high89.7Confident0 Ų040.1 Ų40.10%020%0.198CC..EExtended strand (participates in β ladder)trans-126.5122.1179.6-61.3165.2000108.6S28 S29 V129 I131 I147 L157 L183 I185S28-I159 CarbonylContact C-O 3.45Å; S28-I159 WeakPolarHBondContact CA-O 3.29Å; S28-I159 VanDerWaalsContact CB-O 3.26Å; S28-I159 WeakPolarHBondContact CB-O 3.03Å; S28-I159 PolarHBondContact OG-N 3.5Å; S29-I159 PolarHBondContact N-O 2.81Å; S29-I159 VanDerWaalsContact N-O 3.1Å; V129-I159 WeakPolarHBondContact O-CA 3.35Å; I131-I159 HydrophobicContact CD1-CG2 4.29Å; I147-I159 HydrophobicContact CD1-CD1 3.87Å; I147-I159 HydrophobicContact CD1-CG1 4.05Å; I147-I159 HydrophobicContact CD1-CG2 4.5Å; I147-I159 HydrophobicContact CG1-CD1 4.36Å; I147-I159 HydrophobicContact CG2-CD1 3.53Å; L157-I159 HydrophobicContact CD2-CD1 4.33Å; L157-I159 HydrophobicContact CD2-CG1 4.01Å; L157-I159 HydrophobicContact CG-CG1 4.41Å; I159-L183 WeakPolarHBondContact CD1-O 3.5Å; I159-I185 HydrophobicContact CB-CG1 4.5Å; I159-I185 HydrophobicContact CG2-CD1 4.03Å; I159-I185 HydrophobicContact CG2-CG1 4.18Å
160K94.9Very high89.5Confident4 Ų441.7 Ų41.72%0.01721%0.208CC..EExtended strand (participates in β ladder)trans-120.3117.1176.7-59.6171.1179.1-164.90108.7I24 H25 S29 V129 L130 I131 F158 F162I24-K160 HydrophobicContact CG2-CB 4.49Å; I24-K160 HydrophobicContact CG2-CD 3.66Å; I24-K160 HydrophobicContact CG2-CG 4.05Å; I24-K160 WeakPolarHBondContact O-CE 3.41Å; I24-K160 PolarHBondContact O-NZ 3.4Å; H25-K160 PolarHBondContact O-NZ 3.41Å; S29-K160 WeakPolarHBondContact O-CA 3.01Å; V129-K160 PolarHBondContact O-N 3.39Å; L130-K160 CarbonylContact C-O 3.58Å; L130-K160 WeakPolarHBondContact CA-O 3.29Å; L130-K160 HydrophobicContact CD2-CB 3.62Å; L130-K160 HydrophobicContact CD2-CD 3.89Å; L130-K160 HydrophobicContact CD2-CG 4.14Å; I131-K160 PolarHBondContact N-O 3.02Å; F158-K160 HydrophobicContact CD2-CD 4Å; F158-K160 HydrophobicContact CD2-CG 4.05Å; F158-K160 HydrophobicContact CE2-CD 4.02Å; F158-K160 HydrophobicContact CE2-CG 4.44Å; K160-F162 HydrophobicContact CB-CE2 4.05Å; K160-F162 HydrophobicContact CB-CZ 4.18Å
161A95.5Very high88.8Confident1 Ų144.1 Ų44.11%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-108134.1179.800000109.4S29 L30 L31 I131 A134 L183 I185S29-A161 PolarHBondContact O-N 3.35Å; L30-A161 CarbonylContact C-O 3.55Å; L30-A161 WeakPolarHBondContact CA-O 3.25Å; L30-A161 HydrophobicContact CD1-CB 3.63Å; L31-A161 PolarHBondContact N-O 3.25Å; I131-A161 HydrophobicContact CB-CB 4.35Å; I131-A161 WeakPolarHBondContact O-CA 3.28Å; A134-A161 HydrophobicContact CB-CB 3.99Å; A161-L183 HydrophobicContact CB-CD1 3.93Å; A161-I185 HydrophobicContact CB-CD1 3.69Å
162F95.9Very high88Confident3 Ų343.2 Ų43.21%0.01324%0.239CC..EExtended strand (participates in β ladder)trans-117.5133.7-176.9-61.1-85000110.6I24 L31 M39 I42 I43 T46 L130 I131 L132 R133 A134 K160I24-F162 HydrophobicContact CD1-CE1 4.27Å; L31-F162 HydrophobicContact CB-CD1 4.09Å; L31-F162 HydrophobicContact CD2-CD1 3.7Å; L31-F162 HydrophobicContact CD2-CE1 4Å; L31-F162 HydrophobicContact CG-CD1 4.48Å; M39-F162 HydrophobicContact CE-CB 4.09Å; M39-F162 HydrophobicContact SD-CB 3.89Å; M39-F162 HydrophobicContact SD-CD1 3.74Å; M39-F162 HydrophobicContact SD-CG 4.2Å; I42-F162 HydrophobicContact CG2-CE1 4.31Å; I43-F162 HydrophobicContact CG1-CD1 4.2Å; I43-F162 HydrophobicContact CG1-CD2 4.31Å; I43-F162 HydrophobicContact CG1-CE1 4.43Å; I43-F162 HydrophobicContact CG1-CG 4.14Å; T46-F162 HydrophobicContact CG2-CZ 4.25Å; L130-F162 HydrophobicContact CB-CE2 4.37Å; L130-F162 HydrophobicContact CD2-CE2 4.19Å; I131-F162 PolarHBondContact O-N 3.08Å; L132-F162 HydrophobicContact CD2-CB 4.4Å; L132-F162 HydrophobicContact CD2-CD2 3.82Å; L132-F162 HydrophobicContact CD2-CG 4.42Å; R133-F162 WeakPolarHBondContact CA-O 3.08Å; R133-F162 PolarHBondContact N-O 3.32Å; A134-F162 PolarHBondContact N-O 2.79Å; K160-F162 HydrophobicContact CB-CE2 4.05Å; K160-F162 HydrophobicContact CB-CZ 4.18Å
163S94.4Very high87.3Confident1 Ų149.6 Ų49.61%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-140.8137173.3-168.70000111.7L31 V32 L33 M39 H135L31-S163 PolarHBondContact O-N 3.23Å; V32-S163 WeakPolarHBondContact CA-O 3.42Å; L33-S163 PolarHBondContact N-O 3.4Å; M39-S163 VanDerWaalsContact CE-C 3.43Å; M39-S163 WeakPolarHBondContact CE-O 3.32Å; H135-S163 WeakPolarHBondContact CB-OG 3.15Å; H135-S163 PolarHBondContact ND1-OG 3.12Å
164D91.4Very high86.9Confident47 Ų4748.3 Ų48.325%0.25126%0.264SS..SBendtrans-106.4-7.9176.153.5-4.1000112.9L33 D35 H135L33-D164 CarbonylContact O-C 3.48Å; L33-D164 WeakPolarHBondContact O-CA 3.33Å; D35-D164 PolarHBondContact N-O 2.88Å; H135-D164 IonicContact CE1-OD1 3.02Å; H135-D164 PolarHBondContact CE1-OD1 3.05Å; H135-D164 IonicContact ND1-OD1 3.13Å
165N90.3Very high86.8Confident51 Ų5147.9 Ų47.927%0.27326%0.261SS..  trans-115.493.7-175.9-170.7-14.6000111.5L167 S168N165-L167 WeakPolarHBondContact OD1-CB 3.36Å; N165-L167 PolarHBondContact OD1-N 3.13Å; N165-S168 VanDerWaalsContact CG-OG 3.31Å; N165-S168 PolarHBondContact ND2-OG 3.21Å; N165-S168 PolarHBondContact OD1-N 3.11Å; N165-S168 PolarHBondContact OD1-OG 2.84Å
166S90.7Very high87.1Confident3 Ų342.9 Ų42.92%0.02123%0.229CC..Hα-helixtrans-67.5-35.2177.457.30000112.8S168 L169 T170 F649S166-S168 VanDerWaalsContact C-N 3.28Å; S166-S168 PolarHBondContact O-N 2.99Å; S166-L169 PolarHBondContact O-N 2.85Å; S166-L169 VanDerWaalsContact O-N 3.12Å; S166-T170 PolarHBondContact O-N 3.23Å; S166-T170 VanDerWaalsContact O-N 3.16Å; S166-T170 PolarHBondContact O-OG1 3.29Å; S166-F649 WeakPolarHBondContact OG-CE2 3.45Å
167L87.8Confident87.3Confident47 Ų4737.4 Ų37.425%0.24620%0.203CC..Hα-helixtrans-58.8-40.1-178.5-66.8169.5000112.4N165 T170 S171 K644 A648N165-L167 WeakPolarHBondContact OD1-CB 3.36Å; N165-L167 PolarHBondContact OD1-N 3.13Å; L167-T170 PolarHBondContact O-N 2.84Å; L167-T170 PolarHBondContact O-OG1 3.01Å; L167-T170 VanDerWaalsContact O-OG1 3.05Å; L167-S171 PolarHBondContact O-N 3.25Å; L167-S171 VanDerWaalsContact O-N 3.12Å; L167-K644 VanDerWaalsContact CD2-C 3.46Å; L167-K644 HydrophobicContact CD2-CB 3.54Å; L167-K644 WeakPolarHBondContact CD2-O 3.47Å; L167-A648 HydrophobicContact CD2-CB 4.17Å
168S85.9Confident87.2Confident38 Ų3840.8 Ų40.827%0.26622%0.215SC..Hα-helixtrans-71.2-36.2179.1-61.50000111.6N165 S166 T170 S171 H175N165-S168 VanDerWaalsContact CG-OG 3.31Å; N165-S168 PolarHBondContact ND2-OG 3.21Å; N165-S168 PolarHBondContact OD1-N 3.11Å; N165-S168 PolarHBondContact OD1-OG 2.84Å; S166-S168 VanDerWaalsContact C-N 3.28Å; S166-S168 PolarHBondContact O-N 2.99Å; S168-T170 VanDerWaalsContact C-N 3.25Å; S168-T170 PolarHBondContact O-N 3.06Å; S168-S171 WeakPolarHBondContact O-CB 3.49Å; S168-S171 PolarHBondContact O-N 3.16Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-H175 PolarHBondContact O-CD2 3.42Å
169L86.9Confident87Confident2 Ų238.9 Ų38.91%0.0121%0.207CC..Hα-helixtrans-67.9-23.4176.4-69.9176.1000113.8V32 H135 S166 H175 A176 I179 L652V32-L169 HydrophobicContact CB-CD1 4.37Å; V32-L169 HydrophobicContact CG1-CD1 3.9Å; V32-L169 HydrophobicContact CG2-CD1 3.51Å; H135-L169 HydrophobicContact CB-CD2 3.96Å; H135-L169 HydrophobicContact CB-CG 3.97Å; S166-L169 PolarHBondContact O-N 2.85Å; S166-L169 VanDerWaalsContact O-N 3.12Å; L169-H175 WeakPolarHBondContact O-CB 3.46Å; L169-A176 HydrophobicContact CB-CB 4.41Å; L169-A176 PolarHBondContact O-N 3.12Å; L169-I179 HydrophobicContact CD2-CD1 3.56Å; L169-L652 HydrophobicContact CB-CD2 4.42Å
170T85.1Confident86.9Confident44 Ų4438.9 Ų38.927%0.2721%0.207SC..THydrogen-bonded Turntrans-97.2-1.9172.657.10000113.2S166 L167 S168 G172 A648 L652S166-T170 PolarHBondContact O-N 3.23Å; S166-T170 VanDerWaalsContact O-N 3.16Å; S166-T170 PolarHBondContact O-OG1 3.29Å; L167-T170 PolarHBondContact O-N 2.84Å; L167-T170 PolarHBondContact O-OG1 3.01Å; L167-T170 VanDerWaalsContact O-OG1 3.05Å; S168-T170 VanDerWaalsContact C-N 3.25Å; S168-T170 PolarHBondContact O-N 3.06Å; T170-G172 PolarHBondContact O-N 2.8Å; T170-A648 HydrophobicContact CG2-CB 3.84Å; T170-A648 WeakPolarHBondContact CG2-O 2.91Å; T170-A648 WeakPolarHBondContact OG1-CB 3.14Å; T170-L652 HydrophobicContact CG2-CD1 4.31Å; T170-L652 HydrophobicContact CG2-CD2 4.05Å; T170-L652 HydrophobicContact CG2-CG 3.77Å
171S75.6Confident86.5Confident52 Ų5242.6 Ų42.636%0.36423%0.226SC..SBendtrans-76.3120.1179.5-1650000110.1L167 S168L167-S171 PolarHBondContact O-N 3.25Å; L167-S171 VanDerWaalsContact O-N 3.12Å; S168-S171 WeakPolarHBondContact O-CB 3.49Å; S168-S171 PolarHBondContact O-N 3.16Å; S168-S171 VanDerWaalsContact O-N 3.08Å
172G71.2Confident86Confident55 Ų5545.2 Ų45.257%0.56724%0.24SC*.SBendtrans80.9-168.7-176.800000113.9T170 N174T170-G172 PolarHBondContact O-N 2.8Å; G172-N174 PolarHBondContact O-N 3.42Å
173Y70.2Confident85.6Confident210 Ų21045.1 Ų45.182%0.82424%0.24SC*.SBendtrans-77.6119.6-175.9-62.3-80.5000111.4H175 R178Y173-H175 VanDerWaalsContact C-N 3.28Å; Y173-H175 PolarHBondContact O-N 3.49Å; Y173-R178 PolarHBondContact O-NE 2.62Å; Y173-R178 VanDerWaalsContact O-NE 3.12Å; Y173-R178 PolarHBondContact O-NH2 3.27Å
174N78.4Confident85.2Confident96 Ų9646.2 Ų46.251%0.51325%0.251SS..SBendtrans38.548.1171.4-67.77.9000115.2G172 E177 R178G172-N174 PolarHBondContact O-N 3.42Å; N174-E177 HydrophobicContact CB-CB 4.22Å; N174-E177 WeakPolarHBondContact CB-OE2 3.38Å; N174-E177 PolarHBondContact ND2-OE2 3.44Å; N174-E177 PolarHBondContact O-N 3.45Å; N174-R178 WeakPolarHBondContact O-CG 3.42Å; N174-R178 PolarHBondContact O-N 3.2Å; N174-R178 VanDerWaalsContact O-N 3.13Å
175H86.6Confident85Confident20 Ų2044 Ų449%0.09324%0.239CC..Hα-helixtrans-65.7-42.6-173.3-176.151.2000113.2L137 S168 L169 Y173 E177 R178 I179L137-H175 PolarHBondContact O-CE1 2.83Å; S168-H175 PolarHBondContact O-CD2 3.42Å; L169-H175 WeakPolarHBondContact O-CB 3.46Å; Y173-H175 VanDerWaalsContact C-N 3.28Å; Y173-H175 PolarHBondContact O-N 3.49Å; H175-E177 PolarHBondContact O-N 3.23Å; H175-R178 PolarHBondContact O-N 3.02Å; H175-I179 WeakPolarHBondContact NE2-CD1 3.46Å; H175-I179 PolarHBondContact O-N 2.79Å
176A88.7Confident84.8Confident1 Ų143.4 Ų43.41%0.00824%0.239CC..Hα-helixtrans-57.1-4717500000113L169 R178 I179 M180 L652L169-A176 HydrophobicContact CB-CB 4.41Å; L169-A176 PolarHBondContact O-N 3.12Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 3.14Å; A176-I179 PolarHBondContact O-N 2.67Å; A176-M180 VanDerWaalsContact O-CG 3.29Å; A176-M180 WeakPolarHBondContact O-CG 3.04Å; A176-M180 PolarHBondContact O-N 3.49Å; A176-L652 HydrophobicContact CB-CD2 3.76Å
177E88.5Confident84.8Confident61 Ų6146.3 Ų46.329%0.28525%0.251SS..Hα-helixtrans-60.1-44177.6176.7179.6-161.500111.4N174 H175 I179 M180 L181 L655 I659N174-E177 HydrophobicContact CB-CB 4.22Å; N174-E177 WeakPolarHBondContact CB-OE2 3.38Å; N174-E177 PolarHBondContact ND2-OE2 3.44Å; N174-E177 PolarHBondContact O-N 3.45Å; H175-E177 PolarHBondContact O-N 3.23Å; E177-I179 PolarHBondContact O-N 3.09Å; E177-M180 PolarHBondContact O-N 3.28Å; E177-L181 HydrophobicContact CG-CD1 4.17Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 3.35Å; E177-L655 HydrophobicContact CB-CD1 4.38Å; E177-I659 HydrophobicContact CB-CD1 4.1Å; E177-I659 HydrophobicContact CG-CD1 3.98Å; E177-I659 HydrophobicContact CG-CG1 4.46Å
178R87.2Confident85Confident80 Ų8045.2 Ų45.230%0.30225%0.245SC..Hα-helixtrans-59.4-47.2175.8-71.7-174.4-75.5170.93.3111.9E139 Y173 N174 H175 A176 M180 L181 L182E139-R178 WeakPolarHBondContact OE1-CD 3.44Å; E139-R178 IonicContact OE1-CZ 3.57Å; E139-R178 IonicContact OE1-NE 3.65Å; E139-R178 IonicContact OE1-NH1 3.15Å; E139-R178 PolarHBondContact OE1-NH1 2.85Å; Y173-R178 PolarHBondContact O-NE 2.62Å; Y173-R178 VanDerWaalsContact O-NE 3.12Å; Y173-R178 PolarHBondContact O-NH2 3.27Å; N174-R178 WeakPolarHBondContact O-CG 3.42Å; N174-R178 PolarHBondContact O-N 3.2Å; N174-R178 VanDerWaalsContact O-N 3.13Å; H175-R178 PolarHBondContact O-N 3.02Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 3.14Å; R178-M180 VanDerWaalsContact C-N 3.31Å; R178-M180 PolarHBondContact O-N 3.35Å; R178-L181 PolarHBondContact O-N 3.48Å; R178-L182 WeakPolarHBondContact O-CB 3.4Å; R178-L182 VanDerWaalsContact O-CD1 3.3Å; R178-L182 WeakPolarHBondContact O-CD1 3.22Å; R178-L182 WeakPolarHBondContact O-CG 3.42Å; R178-L182 PolarHBondContact O-N 2.72Å
179I88.9Confident85.4Confident1 Ų143.8 Ų43.81%0.00524%0.235CC..Hα-helixtrans-58.7-45176.2-68.9163.3000110.8A134 L137 L169 H175 A176 E177 L181 L182 L183A134-I179 VanDerWaalsContact O-CD1 3.31Å; A134-I179 WeakPolarHBondContact O-CD1 3.45Å; L137-I179 HydrophobicContact CB-CG1 4.39Å; L137-I179 HydrophobicContact CD1-CG2 4.29Å; L169-I179 HydrophobicContact CD2-CD1 3.56Å; H175-I179 WeakPolarHBondContact NE2-CD1 3.46Å; H175-I179 PolarHBondContact O-N 2.79Å; A176-I179 PolarHBondContact O-N 2.67Å; E177-I179 PolarHBondContact O-N 3.09Å; I179-L181 VanDerWaalsContact C-N 3.34Å; I179-L181 PolarHBondContact O-N 2.94Å; I179-L182 PolarHBondContact O-N 3.3Å; I179-L183 HydrophobicContact CG2-CD1 3.73Å; I179-L183 HydrophobicContact CG2-CG 4.28Å; I179-L183 WeakPolarHBondContact O-CB 3.46Å; I179-L183 WeakPolarHBondContact O-CG 3.39Å; I179-L183 PolarHBondContact O-N 3.29Å
180M89.5Confident85.7Confident0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-62.7-40178.6-67.4175.675.500112.1L30 A176 E177 R178 G184 I185 L188 I659 I661L30-M180 HydrophobicContact CB-CG 4.45Å; L30-M180 HydrophobicContact CD2-CG 3.73Å; L30-M180 HydrophobicContact CD2-SD 4.42Å; A176-M180 VanDerWaalsContact O-CG 3.29Å; A176-M180 WeakPolarHBondContact O-CG 3.04Å; A176-M180 PolarHBondContact O-N 3.49Å; E177-M180 PolarHBondContact O-N 3.28Å; R178-M180 VanDerWaalsContact C-N 3.31Å; R178-M180 PolarHBondContact O-N 3.35Å; M180-G184 CarbonylContact O-C 3.54Å; M180-G184 WeakPolarHBondContact O-CA 3.35Å; M180-G184 PolarHBondContact O-N 3.47Å; M180-I185 HydrophobicContact CE-CG2 4.48Å; M180-I185 PolarHBondContact O-N 3.39Å; M180-L188 HydrophobicContact CE-CB 3.69Å; M180-L188 HydrophobicContact SD-CB 3.97Å; M180-L188 HydrophobicContact SD-CD1 4.26Å; M180-L188 HydrophobicContact SD-CD2 4.3Å; M180-L188 HydrophobicContact SD-CG 4.41Å; M180-I659 HydrophobicContact CE-CD1 4.21Å; M180-I659 HydrophobicContact SD-CD1 3.76Å; M180-I661 HydrophobicContact CB-CD1 3.38Å; M180-I661 HydrophobicContact CE-CD1 3.55Å; M180-I661 HydrophobicContact CG-CD1 4.29Å; M180-I661 HydrophobicContact SD-CD1 4.08Å
181L87.7Confident86.2Confident81 Ų8143.5 Ų43.542%0.42423%0.231SC..Hα-helixtrans-65.3-43174.8-72.6170.6000112.3E177 R178 I179 G184 I661E177-L181 HydrophobicContact CG-CD1 4.17Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 3.35Å; R178-L181 PolarHBondContact O-N 3.48Å; I179-L181 VanDerWaalsContact C-N 3.34Å; I179-L181 PolarHBondContact O-N 2.94Å; L181-G184 PolarHBondContact O-N 3.07Å; L181-G184 VanDerWaalsContact O-N 3.16Å; L181-I661 HydrophobicContact CD2-CG1 4.41Å; L181-I661 HydrophobicContact CD2-CG2 4.19Å
182L85.3Confident87.1Confident56 Ų5641.4 Ų41.429%0.29322%0.216SC..Hα-helixtrans-64.3-43.4179.9-68.7160.4000112.1E139 R178 I179 G184E139-L182 HydrophobicContact CB-CD1 4.43Å; E139-L182 HydrophobicContact CG-CD1 4.4Å; E139-L182 WeakPolarHBondContact O-CD2 3.23Å; R178-L182 WeakPolarHBondContact O-CB 3.4Å; R178-L182 VanDerWaalsContact O-CD1 3.3Å; R178-L182 WeakPolarHBondContact O-CD1 3.22Å; R178-L182 WeakPolarHBondContact O-CG 3.42Å; R178-L182 PolarHBondContact O-N 2.72Å; I179-L182 PolarHBondContact O-N 3.3Å; L182-G184 VanDerWaalsContact C-N 3.26Å
183L87.3Confident88.1Confident2 Ų241.2 Ų41.21%0.0120%0.198CC..Hα-helixtrans-81.8-8.1176.8-59.6179.6000112.1I131 L137 I147 R151 I159 A161 I179 I185I131-L183 HydrophobicContact CD1-CD1 3.94Å; I131-L183 HydrophobicContact CD1-CD2 3.43Å; I131-L183 VanDerWaalsContact CD1-CD2 3.43Å; I131-L183 HydrophobicContact CD1-CG 4.32Å; L137-L183 HydrophobicContact CD1-CD1 4.01Å; L137-L183 HydrophobicContact CD1-CD2 4.33Å; L137-L183 HydrophobicContact CD1-CG 4.5Å; I147-L183 HydrophobicContact CG1-CD2 4.08Å; R151-L183 PolarHBondContact NH1-O 3.1Å; R151-L183 PolarHBondContact NH2-O 3.47Å; I159-L183 WeakPolarHBondContact CD1-O 3.5Å; A161-L183 HydrophobicContact CB-CD1 3.93Å; I179-L183 HydrophobicContact CG2-CD1 3.73Å; I179-L183 HydrophobicContact CG2-CG 4.28Å; I179-L183 WeakPolarHBondContact O-CB 3.46Å; I179-L183 WeakPolarHBondContact O-CG 3.39Å; I179-L183 PolarHBondContact O-N 3.29Å; L183-I185 VanDerWaalsContact C-N 3.31Å; L183-I185 HydrophobicContact CB-CD1 3.71Å; L183-I185 HydrophobicContact CB-CG1 3.79Å; L183-I185 HydrophobicContact CD1-CD1 3.7Å; L183-I185 HydrophobicContact CG-CD1 4.38Å; L183-I185 PolarHBondContact O-N 2.91Å
184G85.1Confident89.2Confident23 Ų2335.8 Ų35.824%0.23718%0.179CC..THydrogen-bonded Turntrans46.150.1-167.600000113.2R151 M180 L181 L182R151-G184 VanDerWaalsContact NH1-CA 3.28Å; R151-G184 PolarHBondContact NH2-O 3.28Å; M180-G184 CarbonylContact O-C 3.54Å; M180-G184 WeakPolarHBondContact O-CA 3.35Å; M180-G184 PolarHBondContact O-N 3.47Å; L181-G184 PolarHBondContact O-N 3.07Å; L181-G184 VanDerWaalsContact O-N 3.16Å; L182-G184 VanDerWaalsContact C-N 3.26Å
185I88.5Confident89.9Confident0 Ų033.1 Ų33.10%016%0.164CC..  trans-92.9128.4174.3-69.2172.3000107.7L30 I159 A161 M180 L183 K187 I661L30-I185 HydrophobicContact CB-CD1 4.34Å; L30-I185 HydrophobicContact CB-CG2 4.16Å; I159-I185 HydrophobicContact CB-CG1 4.5Å; I159-I185 HydrophobicContact CG2-CD1 4.03Å; I159-I185 HydrophobicContact CG2-CG1 4.18Å; A161-I185 HydrophobicContact CB-CD1 3.69Å; M180-I185 HydrophobicContact CE-CG2 4.48Å; M180-I185 PolarHBondContact O-N 3.39Å; L183-I185 VanDerWaalsContact C-N 3.31Å; L183-I185 HydrophobicContact CB-CD1 3.71Å; L183-I185 HydrophobicContact CB-CG1 3.79Å; L183-I185 HydrophobicContact CD1-CD1 3.7Å; L183-I185 HydrophobicContact CG-CD1 4.38Å; L183-I185 PolarHBondContact O-N 2.91Å; I185-K187 WeakPolarHBondContact CG2-O 3.41Å; I185-I661 WeakPolarHBondContact O-CD1 3.16Å
186S85.2Confident90.3Very high40 Ų4039.4 Ų39.428%0.2820%0.196SC..  trans-91-26.2179.857.10000114.2
187K90.3Very high90.4Very high63 Ų6343.3 Ų43.327%0.27421%0.214SC..EExtended strand (participates in β ladder)trans-108.5123.1-172.7-171.4-179.6179.1-173.40111.4D23 E27 S29 L30 I185 V189D23-K187 PolarHBondContact O-NZ 3.15Å; E27-K187 HydrophobicContact CB-CD 4.43Å; E27-K187 WeakPolarHBondContact OE2-CD 3.36Å; S29-K187 VanDerWaalsContact CA-O 3.29Å; S29-K187 WeakPolarHBondContact CA-O 3.42Å; L30-K187 PolarHBondContact N-O 2.84Å; I185-K187 WeakPolarHBondContact CG2-O 3.41Å; K187-V189 HydrophobicContact CD-CG2 3.97Å; K187-V189 HydrophobicContact CG-CG2 3.9Å
188L92.9Very high90.7Very high24 Ų2440.4 Ų40.413%0.12620%0.2CC..EExtended strand (participates in β ladder)trans-98.1121.2169.7-178.258.5000108.8L30 V32 M180 L190 L655L30-L188 HydrophobicContact CB-CD1 4.14Å; L30-L188 HydrophobicContact CD2-CD1 3.87Å; L30-L188 HydrophobicContact CG-CD1 3.92Å; V32-L188 HydrophobicContact CG2-CD1 3.99Å; M180-L188 HydrophobicContact CE-CB 3.69Å; M180-L188 HydrophobicContact SD-CB 3.97Å; M180-L188 HydrophobicContact SD-CD1 4.26Å; M180-L188 HydrophobicContact SD-CD2 4.3Å; M180-L188 HydrophobicContact SD-CG 4.41Å; L188-L190 HydrophobicContact CD1-CD2 3.83Å; L188-L190 HydrophobicContact CD2-CD1 4.33Å; L188-L190 HydrophobicContact CD2-CD2 4.07Å; L188-L190 HydrophobicContact CD2-CG 4.34Å; L188-L190 HydrophobicContact CG-CD1 4.47Å; L188-L190 HydrophobicContact CG-CD2 3.74Å; L188-L190 HydrophobicContact CG-CG 3.98Å; L188-L655 HydrophobicContact CD2-CD2 3.93Å
189V93.9Very high91Very high9 Ų938.4 Ų38.46%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-112.5113.9-179.1-178.70000108.4D23 L30 L31 V32 K187D23-V189 HydrophobicContact CB-CG1 4.27Å; L30-V189 PolarHBondContact O-N 3.27Å; L31-V189 WeakPolarHBondContact CA-O 3.23Å; L31-V189 HydrophobicContact CD1-CB 4.18Å; L31-V189 HydrophobicContact CD1-CG1 3.79Å; V32-V189 PolarHBondContact N-O 3.46Å; K187-V189 HydrophobicContact CD-CG2 3.97Å; K187-V189 HydrophobicContact CG-CG2 3.9Å
190L94.7Very high91.2Very high27 Ų2741.3 Ų41.314%0.14122%0.218CC..EExtended strand (participates in β ladder)trans-112.3126.5-173.8-58.1177.8000110.7V32 L188 L652 I653V32-L190 HydrophobicContact CB-CD2 3.71Å; V32-L190 HydrophobicContact CG1-CD2 4.49Å; V32-L190 HydrophobicContact CG2-CD2 3.86Å; L188-L190 HydrophobicContact CD1-CD2 3.83Å; L188-L190 HydrophobicContact CD2-CD1 4.33Å; L188-L190 HydrophobicContact CD2-CD2 4.07Å; L188-L190 HydrophobicContact CD2-CG 4.34Å; L188-L190 HydrophobicContact CG-CD1 4.47Å; L188-L190 HydrophobicContact CG-CD2 3.74Å; L188-L190 HydrophobicContact CG-CG 3.98Å; L190-L652 HydrophobicContact CD1-CB 3.87Å; L190-L652 WeakPolarHBondContact CD1-O 3.43Å; L190-L652 HydrophobicContact CD2-CB 4.14Å; L190-L652 HydrophobicContact CD2-CD1 4.36Å; L190-I653 HydrophobicContact CD1-CB 4.46Å; L190-I653 HydrophobicContact CD1-CG1 3.83Å
191W95Very high91.2Very high13 Ų1342 Ų425%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-12979.9178.2-78.389.3000110.6I20 D23 V32 L33 A34 N195 Q197 V198I20-W191 HydrophobicContact CD1-CB 4.37Å; I20-W191 HydrophobicContact CD1-CD2 3.83Å; I20-W191 HydrophobicContact CD1-CE3 4.09Å; I20-W191 HydrophobicContact CD1-CG 3.93Å; I20-W191 HydrophobicContact CG1-CD2 3.4Å; I20-W191 HydrophobicContact CG1-CE3 3.93Å; I20-W191 HydrophobicContact CG1-CG 3.69Å; I20-W191 HydrophobicContact CG1-CH2 4.23Å; I20-W191 HydrophobicContact CG1-CZ2 3.74Å; I20-W191 HydrophobicContact CG1-CZ3 4.32Å; D23-W191 WeakPolarHBondContact OD2-CZ2 3.43Å; V32-W191 PolarHBondContact O-N 2.85Å; L33-W191 HydrophobicContact CD2-CB 3.4Å; L33-W191 VanDerWaalsContact CD2-CB 3.4Å; L33-W191 HydrophobicContact CD2-CG 4.15Å; A34-W191 PolarHBondContact N-O 3.15Å; A34-W191 VanDerWaalsContact N-O 3.15Å; W191-N195 HydrophobicContact CE3-CB 4.34Å; W191-N195 VanDerWaalsContact CE3-ND2 3.28Å; W191-N195 WeakPolarHBondContact CZ3-ND2 3.36Å; W191-Q197 VanDerWaalsContact CH2-OE1 3.3Å; W191-Q197 HydrophobicContact CZ3-CB 4.26Å; W191-V198 HydrophobicContact CE3-CG2 3.91Å; W191-V198 HydrophobicContact CZ3-CG2 4.22Å
192P94.4Very high91.3Very high7 Ų738.4 Ų38.45%0.04520%0.203CC..  trans-73.8160.6174.830.7-35000111.8F194 N195 F649P192-F194 HydrophobicContact CB-CD1 3.83Å; P192-F194 HydrophobicContact CB-CD2 4.24Å; P192-F194 HydrophobicContact CB-CE1 3.53Å; P192-F194 HydrophobicContact CB-CE2 3.96Å; P192-F194 HydrophobicContact CB-CG 4.18Å; P192-F194 HydrophobicContact CB-CZ 3.6Å; P192-F194 HydrophobicContact CG-CD1 4.44Å; P192-F194 HydrophobicContact CG-CD2 3.95Å; P192-F194 HydrophobicContact CG-CE1 4.14Å; P192-F194 HydrophobicContact CG-CE2 3.61Å; P192-F194 HydrophobicContact CG-CG 4.35Å; P192-F194 HydrophobicContact CG-CZ 3.72Å; P192-F194 PolarHBondContact O-N 3.2Å; P192-N195 HydrophobicContact CG-CB 4.29Å; P192-N195 VanDerWaalsContact O-CB 3.26Å; P192-N195 WeakPolarHBondContact O-CB 3.38Å; P192-N195 PolarHBondContact O-N 3.26Å; P192-F649 HydrophobicContact CB-CB 4.23Å; P192-F649 HydrophobicContact CB-CD1 3.82Å; P192-F649 HydrophobicContact CB-CD2 4.17Å; P192-F649 HydrophobicContact CB-CE1 4.2Å; P192-F649 HydrophobicContact CB-CG 3.82Å
193R92.8Very high91.5Very high51 Ų5139.7 Ų39.719%0.19221%0.21CC..THydrogen-bonded Turntrans-58.9-28.7175.6-179.760.9-176.586.8-2.9113.6A34 N195 V199 E592A34-R193 HydrophobicContact CB-CB 4.37Å; R193-N195 VanDerWaalsContact C-N 3.31Å; R193-V199 WeakPolarHBondContact O-CG2 3.43Å; R193-E592 IonicContact CZ-OE2 2.82Å; R193-E592 VanDerWaalsContact CZ-OE2 3.31Å; R193-E592 IonicContact NE-OE2 3.67Å; R193-E592 PolarHBondContact NE-OE2 2.67Å; R193-E592 IonicContact NH2-OE1 2.9Å; R193-E592 IonicContact NH2-OE2 3.63Å; R193-E592 PolarHBondContact NH2-OE2 2.9Å
194F92.9Very high91.4Very high97 Ų9746.2 Ų46.243%0.42524%0.241SC..THydrogen-bonded Turntrans-87.28.7178.760-101000113.9P192 M196 F649 I653P192-F194 HydrophobicContact CB-CD1 3.83Å; P192-F194 HydrophobicContact CB-CD2 4.24Å; P192-F194 HydrophobicContact CB-CE1 3.53Å; P192-F194 HydrophobicContact CB-CE2 3.96Å; P192-F194 HydrophobicContact CB-CG 4.18Å; P192-F194 HydrophobicContact CB-CZ 3.6Å; P192-F194 HydrophobicContact CG-CD1 4.44Å; P192-F194 HydrophobicContact CG-CD2 3.95Å; P192-F194 HydrophobicContact CG-CE1 4.14Å; P192-F194 HydrophobicContact CG-CE2 3.61Å; P192-F194 HydrophobicContact CG-CG 4.35Å; P192-F194 HydrophobicContact CG-CZ 3.72Å; P192-F194 PolarHBondContact O-N 3.2Å; F194-M196 PolarHBondContact O-N 3.04Å; F194-F649 HydrophobicContact CE1-CB 4.01Å; F194-F649 HydrophobicContact CZ-CB 4.01Å; F194-I653 HydrophobicContact CE2-CD1 4.01Å; F194-I653 HydrophobicContact CZ-CD1 3.96Å
195N93.4Very high91.3Very high39 Ų3945.4 Ų45.421%0.20923%0.232CC..  trans-61.7134.8170.4-177.4-46.5000110W191 P192 R193 Q197 V198 V199W191-N195 HydrophobicContact CE3-CB 4.34Å; W191-N195 VanDerWaalsContact CE3-ND2 3.28Å; W191-N195 WeakPolarHBondContact CZ3-ND2 3.36Å; P192-N195 HydrophobicContact CG-CB 4.29Å; P192-N195 VanDerWaalsContact O-CB 3.26Å; P192-N195 WeakPolarHBondContact O-CB 3.38Å; P192-N195 PolarHBondContact O-N 3.26Å; R193-N195 VanDerWaalsContact C-N 3.31Å; N195-Q197 VanDerWaalsContact C-N 3.3Å; N195-Q197 PolarHBondContact O-N 3.37Å; N195-Q197 PolarHBondContact OD1-N 2.9Å; N195-V198 HydrophobicContact CB-CB 4.33Å; N195-V198 HydrophobicContact CB-CG2 4.05Å; N195-V198 PolarHBondContact O-N 2.96Å; N195-V198 VanDerWaalsContact O-N 3.15Å; N195-V199 VanDerWaalsContact O-CG2 3.32Å; N195-V199 WeakPolarHBondContact O-CG2 3.21Å; N195-V199 PolarHBondContact O-N 3.49Å
196M93.4Very high91.2Very high152 Ų15251.8 Ų51.875%0.74926%0.261SS*.Hα-helixtrans-54.3-40.6-176.2-68.1-59.1-63.600113.8F194 V199 S200F194-M196 PolarHBondContact O-N 3.04Å; M196-V199 PolarHBondContact O-N 3.09Å; M196-S200 WeakPolarHBondContact O-CB 3.37Å; M196-S200 PolarHBondContact O-N 2.89Å
197Q92.8Very high91.2Very high83 Ų8351 Ų5139%0.38826%0.255SS..Hα-helixtrans-69.1-42179.8-68.7-172.7-5.600111.9S19 W191 N195 V199 S200 C201S19-Q197 PolarHBondContact OG-OE1 2.71Å; W191-Q197 VanDerWaalsContact CH2-OE1 3.3Å; W191-Q197 HydrophobicContact CZ3-CB 4.26Å; N195-Q197 VanDerWaalsContact C-N 3.3Å; N195-Q197 PolarHBondContact O-N 3.37Å; N195-Q197 PolarHBondContact OD1-N 2.9Å; Q197-V199 VanDerWaalsContact C-N 3.34Å; Q197-S200 PolarHBondContact O-N 3.21Å; Q197-C201 WeakPolarHBondContact O-CB 3.15Å; Q197-C201 PolarHBondContact O-N 2.83Å
198V93.1Very high91.2Very high0 Ų050.8 Ų50.80%026%0.257CS..Hα-helixtrans-63.4-44.1176.5177.50000110.2Y16 L37 W191 N195 L202Y16-V198 HydrophobicContact CD2-CG2 3.84Å; Y16-V198 HydrophobicContact CE2-CG2 4.5Å; Y16-V198 HydrophobicContact CG-CG2 3.87Å; L37-V198 HydrophobicContact CD1-CG1 4.29Å; L37-V198 HydrophobicContact CD2-CG1 3.99Å; W191-V198 HydrophobicContact CE3-CG2 3.91Å; W191-V198 HydrophobicContact CZ3-CG2 4.22Å; N195-V198 HydrophobicContact CB-CB 4.33Å; N195-V198 HydrophobicContact CB-CG2 4.05Å; N195-V198 PolarHBondContact O-N 2.96Å; N195-V198 VanDerWaalsContact O-N 3.15Å; V198-L202 HydrophobicContact CG1-CD1 3.71Å; V198-L202 HydrophobicContact CG1-CG 4.44Å; V198-L202 WeakPolarHBondContact O-CB 3.28Å; V198-L202 VanDerWaalsContact O-CG 3.29Å; V198-L202 WeakPolarHBondContact O-CG 3.1Å; V198-L202 PolarHBondContact O-N 3.49Å
199V93.9Very high91.1Very high39 Ų3953.2 Ų53.224%0.23627%0.273CS..Hα-helixtrans-64.6-43.3177.9173.90000111.3R193 N195 M196 Q197 N203R193-V199 WeakPolarHBondContact O-CG2 3.43Å; N195-V199 VanDerWaalsContact O-CG2 3.32Å; N195-V199 WeakPolarHBondContact O-CG2 3.21Å; N195-V199 PolarHBondContact O-N 3.49Å; M196-V199 PolarHBondContact O-N 3.09Å; Q197-V199 VanDerWaalsContact C-N 3.34Å; V199-N203 VanDerWaalsContact CG1-ND2 3.27Å; V199-N203 WeakPolarHBondContact CG1-ND2 3.33Å; V199-N203 WeakPolarHBondContact O-CB 3.27Å; V199-N203 PolarHBondContact O-N 3.48Å; V199-N203 PolarHBondContact O-ND2 2.86Å
200S92.7Very high91Very high62 Ų6255.7 Ų55.743%0.43428%0.284SS..Hα-helixtrans-59.3-52.4177.1-162.80000111.4M196 Q197 L202 N203 E204M196-S200 WeakPolarHBondContact O-CB 3.37Å; M196-S200 PolarHBondContact O-N 2.89Å; Q197-S200 PolarHBondContact O-N 3.21Å; S200-L202 PolarHBondContact O-N 3.33Å; S200-N203 PolarHBondContact O-N 3.12Å; S200-E204 PolarHBondContact O-N 2.83Å
201C90.3Very high90.9Very high14 Ų1460.4 Ų60.410%0.09531%0.305CS..Hα-helixtrans-61.7-41.1-178.3-178.20000112.8Y16 Q197 S205Y16-C201 HydrophobicContact CD1-CB 4.2Å; Q197-C201 WeakPolarHBondContact O-CB 3.15Å; Q197-C201 PolarHBondContact O-N 2.83Å; C201-S205 PolarHBondContact O-OG 3.48Å; C201-S205 VanDerWaalsContact O-OG 3.04Å
202L89.5Confident90.8Very high6 Ų661 Ų613%0.03131%0.31CS..Hα-helixtrans-81.5-25.5-178.5-63.4177.3000113.2L37 V198 S200 S205 Q206 E592 A596L37-L202 HydrophobicContact CD2-CD1 4.32Å; V198-L202 HydrophobicContact CG1-CD1 3.71Å; V198-L202 HydrophobicContact CG1-CG 4.44Å; V198-L202 WeakPolarHBondContact O-CB 3.28Å; V198-L202 VanDerWaalsContact O-CG 3.29Å; V198-L202 WeakPolarHBondContact O-CG 3.1Å; V198-L202 PolarHBondContact O-N 3.49Å; S200-L202 PolarHBondContact O-N 3.33Å; L202-S205 CarbonylContact O-C 3.33Å; L202-S205 PolarHBondContact O-N 3.34Å; L202-Q206 PolarHBondContact O-N 3.45Å; L202-E592 HydrophobicContact CD2-CB 4.29Å; L202-A596 HydrophobicContact CD2-CB 4.04Å
203N89Confident90.7Very high83 Ų8365 Ų6544%0.44433%0.328SS..Hα-helixtrans-70.4-31.5175.1-79.9-14.1000112.8V199 S200 S205 Q206V199-N203 VanDerWaalsContact CG1-ND2 3.27Å; V199-N203 WeakPolarHBondContact CG1-ND2 3.33Å; V199-N203 WeakPolarHBondContact O-CB 3.27Å; V199-N203 PolarHBondContact O-N 3.48Å; V199-N203 PolarHBondContact O-ND2 2.86Å; S200-N203 PolarHBondContact O-N 3.12Å; N203-S205 PolarHBondContact O-N 3.34Å; N203-Q206 PolarHBondContact OD1-NE2 2.92Å
204E85.7Confident90.7Very high139 Ų13963.1 Ų63.165%0.6532%0.322SS*.THydrogen-bonded Turntrans-66.2-21.5173.2-69.9173.8-16800112.6S200S200-E204 PolarHBondContact O-N 2.83Å
205S83.2Confident90.7Very high6 Ų665.8 Ų65.84%0.04233%0.333CS..THydrogen-bonded Turntrans-127.439.5-170.556.30000113C201 L202 N203 N595 A596C201-S205 PolarHBondContact O-OG 3.48Å; C201-S205 VanDerWaalsContact O-OG 3.04Å; L202-S205 CarbonylContact O-C 3.33Å; L202-S205 PolarHBondContact O-N 3.34Å; N203-S205 PolarHBondContact O-N 3.34Å; S205-N595 PolarHBondContact O-ND2 2.83Å; S205-A596 WeakPolarHBondContact OG-CA 3.39Å; S205-A596 VanDerWaalsContact OG-CB 3.28Å; S205-A596 WeakPolarHBondContact OG-CB 3.43Å
206Q85.5Confident90.7Very high133 Ų13364.9 Ų64.962%0.62133%0.328SS*.  trans-65.4128.6179.2-69.7-177.9-8.300111.8L202 N203L202-Q206 PolarHBondContact O-N 3.45Å; N203-Q206 PolarHBondContact OD1-NE2 2.92Å
207P86.5Confident90.6Very high23 Ų2359.5 Ų59.515%0.14930%0.304CS..  trans-72.7160.4171.730.3-33000111.3V209 I624P207-V209 HydrophobicContact CG-CG2 4.07Å; P207-V209 PolarHBondContact O-N 2.82Å; P207-I624 HydrophobicContact CB-CD1 3.59Å; P207-I624 HydrophobicContact CB-CG1 4.25Å; P207-I624 HydrophobicContact CG-CD1 3.65Å
208D89Confident90.6Very high59 Ų5959.4 Ų59.432%0.31631%0.313SS..EExtended strand (participates in β ladder)trans-80.5111.8173.8-174.322.1000108.3L622 K623 I624D208-L622 PolarHBondContact N-O 3.28Å; D208-K623 HydrophobicContact CB-CG 4.2Å; D208-K623 WeakPolarHBondContact O-CA 3.45Å; D208-K623 WeakPolarHBondContact OD2-CE 3.44Å; D208-K623 IonicContact OD2-NZ 3.71Å; D208-K623 PolarHBondContact OD2-NZ 3.25Å; D208-I624 PolarHBondContact O-N 3.04Å
209V90.8Very high90.6Very high75 Ų7561.8 Ų61.846%0.45532%0.324SS..EExtended strand (participates in β ladder)trans-114.1122.6-173.5-175.70000110.1P207 I624P207-V209 HydrophobicContact CG-CG2 4.07Å; P207-V209 PolarHBondContact O-N 2.82Å; V209-I624 WeakPolarHBondContact CA-O 3.43Å; V209-I624 HydrophobicContact CG2-CB 4.36Å
210E92.2Very high90.5Very high62 Ų6260 Ų6029%0.2931%0.313SS..EExtended strand (participates in β ladder)trans-111.7115.3174.2-68.2-178.5-159.600109.6K623 I624 Y625 F626E210-K623 IonicContact OE1-NZ 2.89Å; E210-I624 PolarHBondContact N-O 3.44Å; E210-Y625 HydrophobicContact CB-CD1 3.94Å; E210-Y625 HydrophobicContact CB-CE1 4.04Å; E210-Y625 HydrophobicContact CG-CE1 4.48Å; E210-Y625 WeakPolarHBondContact O-CA 3.27Å; E210-Y625 WeakPolarHBondContact OE2-CE1 3.42Å; E210-F626 PolarHBondContact O-N 2.9Å
211E92.8Very high90.6Very high125 Ų12561.3 Ų61.358%0.58431%0.314SS*.EExtended strand (participates in β ladder)trans-83.4119.1177.2-66-173.4-178.300110.6H213 F626E211-H213 IonicContact OE2-CE1 3.05Å; E211-H213 IonicContact OE2-NE2 3.72Å; E211-H213 PolarHBondContact OE2-NE2 2.8Å; E211-F626 HydrophobicContact CG-CB 4.49Å; E211-F626 HydrophobicContact CG-CD1 4.49Å
212V92.6Very high90.9Very high27 Ų2762.5 Ų62.516%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-106.195.6-178.8-174.70000108.6V214 L380 Y625 F626 V627 L628V212-V214 HydrophobicContact CG1-CG2 4.35Å; V212-L380 HydrophobicContact CB-CD1 4.35Å; V212-L380 HydrophobicContact CG1-CD1 4.13Å; V212-L380 HydrophobicContact CG1-CD2 4.35Å; V212-L380 HydrophobicContact CG1-CG 4.48Å; V212-L380 HydrophobicContact CG2-CD1 3.87Å; V212-L380 HydrophobicContact CG2-CD2 3.67Å; V212-L380 HydrophobicContact CG2-CG 4.33Å; V212-Y625 HydrophobicContact CG2-CD1 4.14Å; V212-F626 PolarHBondContact N-O 3.08Å; V212-V627 HydrophobicContact CB-CG2 4.31Å; V212-L628 PolarHBondContact O-N 2.9Å
213H93Very high91.1Very high91 Ų9162.2 Ų62.242%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-81.1117.4179-65.2-64.2000111.8E211 E630E211-H213 IonicContact OE2-CE1 3.05Å; E211-H213 IonicContact OE2-NE2 3.72Å; E211-H213 PolarHBondContact OE2-NE2 2.8Å; H213-E630 HydrophobicContact CB-CG 3.58Å; H213-E630 WeakPolarHBondContact CB-OE1 3.41Å; H213-E630 IonicContact CG-OE1 3.35Å
214V92.7Very high91.4Very high10 Ų1059.3 Ų59.36%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-108.6127.1-178.6-174.60000109.7V212 P372 K373 A376 V627 L628 Y629 E630V212-V214 HydrophobicContact CG1-CG2 4.35Å; V214-P372 HydrophobicContact CG1-CB 3.6Å; V214-K373 HydrophobicContact CG2-CG 4.46Å; V214-A376 HydrophobicContact CG2-CB 3.67Å; V214-V627 HydrophobicContact CG2-CG1 3.88Å; V214-L628 PolarHBondContact N-O 3.05Å; V214-Y629 HydrophobicContact CB-CD1 3.9Å; V214-Y629 HydrophobicContact CB-CE1 4.16Å; V214-Y629 HydrophobicContact CG1-CD1 3.86Å; V214-Y629 HydrophobicContact CG1-CE1 3.66Å; V214-Y629 VanDerWaalsContact O-CA 3.27Å; V214-Y629 WeakPolarHBondContact O-CA 3.36Å; V214-Y629 WeakPolarHBondContact O-CD1 3.07Å; V214-E630 PolarHBondContact O-N 2.89Å
215K93.6Very high91.8Very high153 Ų15355 Ų5567%0.66529%0.286SS*.PPolyproline II helixtrans-80.4137.6176.5-66.7-178.6-178.3179.70111.4E630K215-E630 VanDerWaalsContact CE-OE2 3.25Å; K215-E630 WeakPolarHBondContact CE-OE2 3.33Å; K215-E630 WeakPolarHBondContact CG-OE2 3.38Å
216L91.8Very high92.3Very high20 Ų2054.8 Ų54.811%0.10529%0.285CS..PPolyproline II helixtrans-67.9150.9169.4-67.3174.5000110.8M220 I221 Y629L216-M220 HydrophobicContact CB-CB 4.37Å; L216-M220 HydrophobicContact CD2-CB 4.45Å; L216-M220 HydrophobicContact CD2-CE 3.63Å; L216-M220 HydrophobicContact CD2-SD 4.22Å; L216-I221 HydrophobicContact CB-CD1 4.23Å; L216-I221 HydrophobicContact CB-CG1 3.71Å; L216-I221 HydrophobicContact CD1-CG1 4.3Å; L216-Y629 HydrophobicContact CD2-CD1 3.6Å; L216-Y629 HydrophobicContact CD2-CD2 4.2Å; L216-Y629 HydrophobicContact CD2-CE1 3.94Å; L216-Y629 HydrophobicContact CD2-CE2 4.49Å; L216-Y629 HydrophobicContact CD2-CG 3.76Å; L216-Y629 HydrophobicContact CG-CD1 4.24Å; L216-Y629 HydrophobicContact CG-CG 4.44Å
217T92.4Very high92.7Very high39 Ų3948.4 Ų48.424%0.23926%0.255CS..PPolyproline II helixtrans-73.4156.8171.763.90000110.9E219 M220 I221 E369 P372T217-E219 VanDerWaalsContact C-N 3.25Å; T217-E219 PolarHBondContact O-N 3.03Å; T217-M220 HydrophobicContact CG2-SD 4.46Å; T217-M220 PolarHBondContact O-N 3.17Å; T217-M220 VanDerWaalsContact O-N 3.09Å; T217-M220 WeakPolarHBondContact OG1-CB 3.44Å; T217-M220 WeakPolarHBondContact OG1-CG 3.34Å; T217-M220 PolarHBondContact OG1-N 3.22Å; T217-I221 WeakPolarHBondContact O-CG1 3.45Å; T217-I221 PolarHBondContact O-N 3.03Å; T217-E369 VanDerWaalsContact CB-OE1 3.29Å; T217-E369 WeakPolarHBondContact CB-OE1 3.15Å; T217-E369 WeakPolarHBondContact CG2-OE1 3.47Å; T217-E369 PolarHBondContact OG1-OE1 3.23Å; T217-P372 HydrophobicContact CG2-CG 3.66Å
218S93.1Very high93.1Very high81 Ų8149 Ų4957%0.56626%0.257SS*.Hα-helixtrans-55.2-41.6179.453.40000112.3I221 I222S218-I221 PolarHBondContact O-N 3.41Å; S218-I222 WeakPolarHBondContact O-CG1 3.24Å; S218-I222 PolarHBondContact O-N 3.38Å; S218-I222 VanDerWaalsContact O-N 3.15Å
219E92.1Very high93.3Very high50 Ų5050 Ų5023%0.23426%0.262CS..Hα-helixtrans-68.7-37.7177.8-62.5-52.9138.900112.5T217 I222 C223 S352 R356T217-E219 VanDerWaalsContact C-N 3.25Å; T217-E219 PolarHBondContact O-N 3.03Å; E219-I222 PolarHBondContact O-N 3.25Å; E219-C223 WeakPolarHBondContact O-CB 3.48Å; E219-C223 PolarHBondContact O-N 3.16Å; E219-C223 PolarHBondContact O-SG 3.22Å; E219-S352 WeakPolarHBondContact OE2-CA 3.47Å; E219-S352 WeakPolarHBondContact OE2-CB 3.3Å; E219-S352 PolarHBondContact OE2-OG 2.98Å; E219-R356 HydrophobicContact CB-CG 3.68Å; E219-R356 HydrophobicContact CG-CG 4.33Å
220M93.1Very high93.4Very high3 Ų346.4 Ų46.42%0.01524%0.241CC..Hα-helixtrans-64.2-40.3174.5-74.5175.980.600111.8L216 T217 C223 Q224 L296L216-M220 HydrophobicContact CB-CB 4.37Å; L216-M220 HydrophobicContact CD2-CB 4.45Å; L216-M220 HydrophobicContact CD2-CE 3.63Å; L216-M220 HydrophobicContact CD2-SD 4.22Å; T217-M220 HydrophobicContact CG2-SD 4.46Å; T217-M220 PolarHBondContact O-N 3.17Å; T217-M220 VanDerWaalsContact O-N 3.09Å; T217-M220 WeakPolarHBondContact OG1-CB 3.44Å; T217-M220 WeakPolarHBondContact OG1-CG 3.34Å; T217-M220 PolarHBondContact OG1-N 3.22Å; M220-C223 PolarHBondContact O-N 3.04Å; M220-Q224 WeakPolarHBondContact O-CB 3.41Å; M220-Q224 PolarHBondContact O-N 3.19Å; M220-L296 HydrophobicContact CB-CD1 4.38Å; M220-L296 HydrophobicContact CE-CD1 4.45Å; M220-L296 VanDerWaalsContact CE-O 3.3Å; M220-L296 WeakPolarHBondContact CE-O 3.31Å; M220-L296 HydrophobicContact CG-CD1 4.04Å
221I94.5Very high93.4Very high89 Ų8943.4 Ų43.446%0.45623%0.227SC..Hα-helixtrans-61.8-45.7177.3-65.9167.2000110.4L216 T217 S218 C223 Q224 S225L216-I221 HydrophobicContact CB-CD1 4.23Å; L216-I221 HydrophobicContact CB-CG1 3.71Å; L216-I221 HydrophobicContact CD1-CG1 4.3Å; T217-I221 WeakPolarHBondContact O-CG1 3.45Å; T217-I221 PolarHBondContact O-N 3.03Å; S218-I221 PolarHBondContact O-N 3.41Å; I221-C223 VanDerWaalsContact C-N 3.34Å; I221-C223 PolarHBondContact O-N 3.14Å; I221-Q224 PolarHBondContact O-N 3.44Å; I221-S225 PolarHBondContact O-N 2.85Å
222I95.1Very high93.4Very high39 Ų3943.8 Ų43.820%0.223%0.226CC..Hα-helixtrans-62.5-42.7176.4-64.2165.1000110.6S218 E219 S225 C226 R348 S352S218-I222 WeakPolarHBondContact O-CG1 3.24Å; S218-I222 PolarHBondContact O-N 3.38Å; S218-I222 VanDerWaalsContact O-N 3.15Å; E219-I222 PolarHBondContact O-N 3.25Å; I222-S225 PolarHBondContact O-N 3.21Å; I222-S225 PolarHBondContact O-OG 3.2Å; I222-C226 WeakPolarHBondContact O-CB 3.34Å; I222-C226 PolarHBondContact O-N 3.31Å; I222-C226 PolarHBondContact O-SG 3.11Å; I222-R348 HydrophobicContact CG2-CG 4.01Å; I222-S352 WeakPolarHBondContact CG2-OG 3.47Å
223C94.4Very high93.3Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-61.3-46.2176.3-68.40000111.4E219 M220 I221 C226 I227 L296 F304 L349E219-C223 WeakPolarHBondContact O-CB 3.48Å; E219-C223 PolarHBondContact O-N 3.16Å; E219-C223 PolarHBondContact O-SG 3.22Å; M220-C223 PolarHBondContact O-N 3.04Å; I221-C223 VanDerWaalsContact C-N 3.34Å; I221-C223 PolarHBondContact O-N 3.14Å; C223-C226 PolarHBondContact O-N 3.48Å; C223-I227 VanDerWaalsContact O-CG1 3.27Å; C223-I227 WeakPolarHBondContact O-CG1 3.18Å; C223-I227 PolarHBondContact O-N 3.11Å; C223-L296 HydrophobicContact CB-CD1 3.95Å; C223-L296 HydrophobicContact CB-CD2 3.8Å; C223-F304 HydrophobicContact CB-CZ 4.31Å; C223-L349 HydrophobicContact CB-CD1 4.23Å
224Q94.3Very high93.2Very high22 Ų2239.7 Ų39.710%0.10321%0.211CC..Hα-helixtrans-60.1-47.9179-175.3179.4-77.500111M220 I221 C226 I227 L228 L293 L296 N631 V633M220-Q224 WeakPolarHBondContact O-CB 3.41Å; M220-Q224 PolarHBondContact O-N 3.19Å; I221-Q224 PolarHBondContact O-N 3.44Å; Q224-C226 PolarHBondContact O-N 3.42Å; Q224-I227 PolarHBondContact O-N 3.49Å; Q224-L228 HydrophobicContact CG-CD1 4.19Å; Q224-L228 WeakPolarHBondContact O-CG 3.48Å; Q224-L228 PolarHBondContact O-N 3.21Å; Q224-L293 HydrophobicContact CG-CD1 4.19Å; Q224-L296 HydrophobicContact CB-CD2 3.98Å; Q224-N631 PolarHBondContact NE2-O 3.07Å; Q224-V633 HydrophobicContact CG-CG2 3.84Å
225S94.7Very high93.1Very high47 Ų4739.6 Ų39.633%0.32921%0.21SC..Hα-helixtrans-62.6-43.8179.571.20000111.7I221 I222 I227 L228 D229I221-S225 PolarHBondContact O-N 2.85Å; I222-S225 PolarHBondContact O-N 3.21Å; I222-S225 PolarHBondContact O-OG 3.2Å; S225-I227 PolarHBondContact O-N 3.09Å; S225-L228 PolarHBondContact O-N 3.03Å; S225-D229 PolarHBondContact O-N 2.89Å
226C94.6Very high92.9Very high2 Ų238.9 Ų38.91%0.01421%0.207CC..Hα-helixtrans-62.7-43.2178.4-65.10000111.5I222 C223 Q224 L228 D229 L230 L349I222-C226 WeakPolarHBondContact O-CB 3.34Å; I222-C226 PolarHBondContact O-N 3.31Å; I222-C226 PolarHBondContact O-SG 3.11Å; C223-C226 PolarHBondContact O-N 3.48Å; Q224-C226 PolarHBondContact O-N 3.42Å; C226-L228 PolarHBondContact O-N 3.32Å; C226-D229 PolarHBondContact O-N 3.14Å; C226-L230 WeakPolarHBondContact O-CB 3.38Å; C226-L230 WeakPolarHBondContact O-CD1 3.42Å; C226-L230 WeakPolarHBondContact O-CG 3.44Å; C226-L230 PolarHBondContact O-N 3.19Å; C226-L349 HydrophobicContact CB-CB 4.09Å; C226-L349 HydrophobicContact CB-CD1 3.99Å
227I94.3Very high92.7Very high0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-63-43.4178-65.4167.4000110.9C223 Q224 S225 D229 L230 M231 L289 L292 L293 L296 F304 L349C223-I227 VanDerWaalsContact O-CG1 3.27Å; C223-I227 WeakPolarHBondContact O-CG1 3.18Å; C223-I227 PolarHBondContact O-N 3.11Å; Q224-I227 PolarHBondContact O-N 3.49Å; S225-I227 PolarHBondContact O-N 3.09Å; I227-D229 PolarHBondContact O-N 3.43Å; I227-L230 PolarHBondContact O-N 2.96Å; I227-M231 HydrophobicContact CG2-CG 4.29Å; I227-M231 HydrophobicContact CG2-SD 4Å; I227-M231 WeakPolarHBondContact O-CB 3.34Å; I227-M231 VanDerWaalsContact O-CG 3.32Å; I227-M231 WeakPolarHBondContact O-CG 3.07Å; I227-M231 PolarHBondContact O-N 3.13Å; I227-L289 HydrophobicContact CG2-CB 4.44Å; I227-L292 HydrophobicContact CD1-CB 4.21Å; I227-L293 HydrophobicContact CB-CD1 4.33Å; I227-L293 HydrophobicContact CD1-CD1 4.31Å; I227-L293 HydrophobicContact CG2-CB 4.05Å; I227-L293 HydrophobicContact CG2-CD1 4.14Å; I227-L293 HydrophobicContact CG2-CG 4.48Å; I227-L296 HydrophobicContact CD1-CD2 4.29Å; I227-F304 HydrophobicContact CD1-CE2 4.29Å; I227-F304 HydrophobicContact CD1-CZ 4.27Å; I227-L349 HydrophobicContact CD1-CD1 4.05Å; I227-L349 HydrophobicContact CG1-CD1 3.53Å
228L93.5Very high92.4Very high34 Ų3438.6 Ų38.618%0.17820%0.202CC..Hα-helixtrans-63.3-41.1178.8-69.7174.5000112.2Q224 S225 C226 M231 K232 L252 L256 L293 V633Q224-L228 HydrophobicContact CG-CD1 4.19Å; Q224-L228 WeakPolarHBondContact O-CG 3.48Å; Q224-L228 PolarHBondContact O-N 3.21Å; S225-L228 PolarHBondContact O-N 3.03Å; C226-L228 PolarHBondContact O-N 3.32Å; L228-M231 PolarHBondContact O-N 3.26Å; L228-K232 WeakPolarHBondContact O-CB 3.48Å; L228-K232 PolarHBondContact O-N 3.48Å; L228-L252 HydrophobicContact CD2-CD1 4.37Å; L228-L256 HydrophobicContact CD2-CD2 3.87Å; L228-L293 HydrophobicContact CD2-CD2 4.16Å; L228-V633 HydrophobicContact CD1-CG2 4.15Å; L228-V633 HydrophobicContact CD2-CG2 4.23Å
229D93.9Very high92.1Very high80 Ų8035.6 Ų35.643%0.42818%0.182SC..Hα-helixtrans-64.1-43.4175.9-73.4-24.8000111.8S225 C226 I227 K232 A233 Q345S225-D229 PolarHBondContact O-N 2.89Å; C226-D229 PolarHBondContact O-N 3.14Å; I227-D229 PolarHBondContact O-N 3.43Å; D229-K232 PolarHBondContact O-N 3.36Å; D229-A233 WeakPolarHBondContact O-CB 3.14Å; D229-A233 PolarHBondContact O-N 2.98Å; D229-Q345 HydrophobicContact CB-CG 4.28Å
230L93.4Very high91.8Very high0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-65.2-39.8176.9-66.7168.6000111.7C226 I227 A233 S234 L289 W340 M343 Q345 A346C226-L230 WeakPolarHBondContact O-CB 3.38Å; C226-L230 WeakPolarHBondContact O-CD1 3.42Å; C226-L230 WeakPolarHBondContact O-CG 3.44Å; C226-L230 PolarHBondContact O-N 3.19Å; I227-L230 PolarHBondContact O-N 2.96Å; L230-A233 PolarHBondContact O-N 3.46Å; L230-S234 WeakPolarHBondContact O-CB 3.15Å; L230-S234 PolarHBondContact O-N 3.06Å; L230-S234 PolarHBondContact O-OG 3.35Å; L230-L289 HydrophobicContact CB-CD1 4.03Å; L230-L289 HydrophobicContact CB-CD2 4.25Å; L230-L289 HydrophobicContact CD1-CD2 4.37Å; L230-W340 HydrophobicContact CD1-CE3 3.7Å; L230-W340 HydrophobicContact CD1-CZ3 3.93Å; L230-W340 HydrophobicContact CD2-CB 4.06Å; L230-W340 HydrophobicContact CD2-CE3 4.05Å; L230-W340 HydrophobicContact CG-CE3 4.32Å; L230-M343 HydrophobicContact CD2-CB 4.04Å; L230-M343 HydrophobicContact CD2-CE 4.35Å; L230-M343 HydrophobicContact CD2-CG 4.47Å; L230-M343 HydrophobicContact CD2-SD 3.83Å; L230-Q345 HydrophobicContact CD2-CB 3.85Å; L230-Q345 HydrophobicContact CG-CB 4.08Å; L230-A346 HydrophobicContact CD1-CB 4.44Å; L230-A346 HydrophobicContact CD2-CB 4.46Å
231M92.3Very high91.3Very high0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-63.7-45.5174.4-76.9179.860.300111.2I227 L228 A233 S234 L235 L252 A255 L289 R290 L293I227-M231 HydrophobicContact CG2-CG 4.29Å; I227-M231 HydrophobicContact CG2-SD 4Å; I227-M231 WeakPolarHBondContact O-CB 3.34Å; I227-M231 VanDerWaalsContact O-CG 3.32Å; I227-M231 WeakPolarHBondContact O-CG 3.07Å; I227-M231 PolarHBondContact O-N 3.13Å; L228-M231 PolarHBondContact O-N 3.26Å; M231-A233 VanDerWaalsContact C-N 3.34Å; M231-A233 PolarHBondContact O-N 2.73Å; M231-S234 PolarHBondContact O-N 3.05Å; M231-L235 WeakPolarHBondContact O-CB 3.39Å; M231-L235 WeakPolarHBondContact O-CG 3.45Å; M231-L235 PolarHBondContact O-N 3.12Å; M231-L252 HydrophobicContact CB-CD1 4.2Å; M231-A255 HydrophobicContact CE-CB 3.94Å; M231-L289 HydrophobicContact CG-CB 3.61Å; M231-L289 HydrophobicContact CG-CD1 3.88Å; M231-L289 HydrophobicContact CG-CG 4.36Å; M231-L289 HydrophobicContact SD-CB 4.28Å; M231-R290 HydrophobicContact CE-CG 3.48Å; M231-R290 VanDerWaalsContact CE-CG 3.48Å; M231-R290 HydrophobicContact SD-CG 4.14Å; M231-L293 HydrophobicContact SD-CD2 4.18Å
232K92.4Very high90.6Very high132 Ų13240.4 Ų40.457%0.57421%0.206SC*.Hα-helixtrans-61.1-42.4177.4-175.3179.5179.71790111.8L228 D229 K236L228-K232 WeakPolarHBondContact O-CB 3.48Å; L228-K232 PolarHBondContact O-N 3.48Å; D229-K232 PolarHBondContact O-N 3.36Å; K232-K236 WeakPolarHBondContact O-CB 3.3Å; K232-K236 PolarHBondContact O-N 2.64Å
233A91.3Very high89.8Confident31 Ų3143.4 Ų43.426%0.25623%0.228SC..Hα-helixtrans-64.4-44.8175.700000111.9D229 L230 M231 K236 E237 M343D229-A233 WeakPolarHBondContact O-CB 3.14Å; D229-A233 PolarHBondContact O-N 2.98Å; L230-A233 PolarHBondContact O-N 3.46Å; M231-A233 VanDerWaalsContact C-N 3.34Å; M231-A233 PolarHBondContact O-N 2.73Å; A233-K236 PolarHBondContact O-N 3.46Å; A233-E237 PolarHBondContact O-N 3.01Å; A233-M343 HydrophobicContact CB-CE 3.78Å; A233-M343 HydrophobicContact CB-SD 3.89Å
234S90.1Very high88.8Confident1 Ų148.5 Ų48.51%0.00726%0.259CS..Hα-helixtrans-66.3-39.4179.9-550000112.4L230 M231 E237 L238L230-S234 WeakPolarHBondContact O-CB 3.15Å; L230-S234 PolarHBondContact O-N 3.06Å; L230-S234 PolarHBondContact O-OG 3.35Å; M231-S234 PolarHBondContact O-N 3.05Å; S234-E237 PolarHBondContact O-N 3.45Å; S234-L238 WeakPolarHBondContact O-CB 3.4Å; S234-L238 PolarHBondContact O-N 3.46Å
235L89.8Confident87.9Confident8 Ų847.8 Ų47.84%0.04226%0.256CS..Hα-helixtrans-65.3-43.5174.2-77.1167.2000111.5M231 E237 L238 C239 A255 F260 I286M231-L235 WeakPolarHBondContact O-CB 3.39Å; M231-L235 WeakPolarHBondContact O-CG 3.45Å; M231-L235 PolarHBondContact O-N 3.12Å; L235-E237 PolarHBondContact O-N 3.19Å; L235-L238 WeakPolarHBondContact O-CB 3.25Å; L235-L238 PolarHBondContact O-N 3.37Å; L235-C239 PolarHBondContact O-N 3.26Å; L235-C239 PolarHBondContact O-SG 2.95Å; L235-C239 VanDerWaalsContact O-SG 3.35Å; L235-A255 HydrophobicContact CD1-CB 3.88Å; L235-F260 HydrophobicContact CD2-CE1 4.38Å; L235-F260 HydrophobicContact CD2-CZ 3.87Å; L235-I286 HydrophobicContact CD2-CD1 3.67Å; L235-I286 HydrophobicContact CD2-CG1 4.44Å; L235-I286 HydrophobicContact CG-CD1 4.09Å; L235-I286 HydrophobicContact CG-CG1 4.48Å
236K88.9Confident86.7Confident138 Ų13851.4 Ų51.460%0.627%0.272SS*.Hα-helixtrans-61.4-45.2176.1-172.8178.3178.4-178.90111.4K232 A233 L238 C239 D240K232-K236 WeakPolarHBondContact O-CB 3.3Å; K232-K236 PolarHBondContact O-N 2.64Å; A233-K236 PolarHBondContact O-N 3.46Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 2.84Å; K236-C239 PolarHBondContact O-N 3.37Å; K236-D240 WeakPolarHBondContact O-CB 3.48Å; K236-D240 PolarHBondContact O-N 3.23Å
237E87.9Confident85.6Confident50 Ų5053.5 Ų53.523%0.23429%0.285CS..Hα-helixtrans-60.9-39.6175.7-165.7-178.9151.500111.5A233 S234 L235 D240 Q241 L282 S339A233-E237 PolarHBondContact O-N 3.01Å; S234-E237 PolarHBondContact O-N 3.45Å; L235-E237 PolarHBondContact O-N 3.19Å; E237-D240 PolarHBondContact O-N 2.84Å; E237-Q241 VanDerWaalsContact O-CG 3.22Å; E237-Q241 WeakPolarHBondContact O-CG 3.47Å; E237-Q241 PolarHBondContact O-N 2.87Å; E237-Q241 VanDerWaalsContact O-N 3.08Å; E237-L282 HydrophobicContact CB-CD1 4Å; E237-L282 HydrophobicContact CB-CD2 4.43Å; E237-L282 HydrophobicContact CG-CD1 3.79Å; E237-L282 HydrophobicContact CG-CD2 4.46Å; E237-S339 WeakPolarHBondContact OE2-CB 3.42Å; E237-S339 PolarHBondContact OE2-OG 2.86Å
238L87.5Confident84.6Confident3 Ų360.3 Ų60.32%0.01632%0.321CS..Hα-helixtrans-63.3-44.8177.1-178.766.7000112.2S234 L235 K236 N242 L245 L282 V283 I286S234-L238 WeakPolarHBondContact O-CB 3.4Å; S234-L238 PolarHBondContact O-N 3.46Å; L235-L238 WeakPolarHBondContact O-CB 3.25Å; L235-L238 PolarHBondContact O-N 3.37Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 2.84Å; L238-N242 PolarHBondContact O-N 3.01Å; L238-N242 VanDerWaalsContact O-N 3.14Å; L238-N242 PolarHBondContact O-ND2 3.49Å; L238-L245 HydrophobicContact CD1-CD1 4.47Å; L238-L245 HydrophobicContact CG-CD1 4.39Å; L238-L282 HydrophobicContact CB-CB 4.49Å; L238-L282 HydrophobicContact CB-CD1 4.25Å; L238-L282 HydrophobicContact CD1-CB 4.25Å; L238-V283 HydrophobicContact CD1-CG2 4.18Å; L238-V283 HydrophobicContact CD2-CG2 4.23Å; L238-I286 HydrophobicContact CD2-CD1 3.92Å
239C86.2Confident83.6Confident19 Ų1961.3 Ų61.313%0.12833%0.327CS..Hα-helixtrans-68.7-39.3178-65.80000112.2L235 K236 Q241 N242L235-C239 PolarHBondContact O-N 3.26Å; L235-C239 PolarHBondContact O-SG 2.95Å; L235-C239 VanDerWaalsContact O-SG 3.35Å; K236-C239 PolarHBondContact O-N 3.37Å; C239-Q241 VanDerWaalsContact C-N 3.32Å; C239-Q241 PolarHBondContact O-N 3.23Å; C239-N242 CarbonylContact O-C 3.55Å; C239-N242 PolarHBondContact O-N 3.23Å
240D86.3Confident82.9Confident113 Ų11358.7 Ų58.760%0.60431%0.312SS*.Hα-helixtrans-64.9-36.6178.5-71.7-17.3000111.5K236 E237K236-D240 WeakPolarHBondContact O-CB 3.48Å; K236-D240 PolarHBondContact O-N 3.23Å; E237-D240 PolarHBondContact O-N 2.84Å
241Q81.9Confident82.5Confident109 Ų10961.3 Ų61.351%0.50933%0.329SS..Hα-helixtrans-76.2-29.2176.8-66.8-62.9-39.500113.1E237 C239E237-Q241 VanDerWaalsContact O-CG 3.22Å; E237-Q241 WeakPolarHBondContact O-CG 3.47Å; E237-Q241 PolarHBondContact O-N 2.87Å; E237-Q241 VanDerWaalsContact O-N 3.08Å; C239-Q241 VanDerWaalsContact C-N 3.32Å; C239-Q241 PolarHBondContact O-N 3.23Å
242N79.6Confident82.2Confident21 Ų2164.1 Ų64.111%0.11234%0.343CS..  trans-128.683.8-176.9-59-63.4000109.9L238 C239 T244 L245 L275 S279L238-N242 PolarHBondContact O-N 3.01Å; L238-N242 VanDerWaalsContact O-N 3.14Å; L238-N242 PolarHBondContact O-ND2 3.49Å; C239-N242 CarbonylContact O-C 3.55Å; C239-N242 PolarHBondContact O-N 3.23Å; N242-T244 PolarHBondContact O-N 3.48Å; N242-L245 HydrophobicContact CB-CB 4.3Å; N242-L245 HydrophobicContact CB-CD1 3.68Å; N242-L245 HydrophobicContact CB-CG 3.82Å; N242-L245 WeakPolarHBondContact O-CB 3.27Å; N242-L245 PolarHBondContact O-N 2.96Å; N242-L275 WeakPolarHBondContact OD1-CD2 3.43Å; N242-S279 WeakPolarHBondContact ND2-CB 3.35Å; N242-S279 PolarHBondContact ND2-OG 3.3Å
243P79.5Confident81.8Confident101 Ų10162.9 Ų62.966%0.65634%0.339SS*.G310 helixtrans-62.1-18.7-179.824.1-33.9000113L245 N246P243-L245 PolarHBondContact O-N 3.11Å; P243-N246 WeakPolarHBondContact O-CB 3.25Å; P243-N246 PolarHBondContact O-N 2.94Å
244T72.6Confident81.4Confident107 Ų10763.3 Ų63.366%0.65634%0.336SS*.G310 helixtrans-65.5-22.5172.753.40000113.4N242N242-T244 PolarHBondContact O-N 3.48Å
245L75.2Confident81.3Confident8 Ų863.3 Ų63.34%0.04234%0.335CS..G310 helixtrans-91.9-4.6179.1-60.6-179.8000112.5L238 N242 P243 T247 L250 V268L238-L245 HydrophobicContact CD1-CD1 4.47Å; L238-L245 HydrophobicContact CG-CD1 4.39Å; N242-L245 HydrophobicContact CB-CB 4.3Å; N242-L245 HydrophobicContact CB-CD1 3.68Å; N242-L245 HydrophobicContact CB-CG 3.82Å; N242-L245 WeakPolarHBondContact O-CB 3.27Å; N242-L245 PolarHBondContact O-N 2.96Å; P243-L245 PolarHBondContact O-N 3.11Å; L245-T247 PolarHBondContact O-N 3.44Å; L245-L250 HydrophobicContact CB-CD1 3.9Å; L245-L250 WeakPolarHBondContact O-CD1 3.23Å; L245-V268 HydrophobicContact CD1-CG2 4.25Å; L245-V268 HydrophobicContact CD2-CG2 4.34Å
246N69.7Low81Confident123 Ų12363.7 Ų63.766%0.65834%0.337SS*.  trans-73.876.4-178.4-169.322.6000110.8P243P243-N246 WeakPolarHBondContact O-CB 3.25Å; P243-N246 PolarHBondContact O-N 2.94Å
247T71.3Confident80.7Confident45 Ų4557.4 Ų57.428%0.27631%0.31SS..SBendtrans-109.6157.2171.958.60000109.6L245 D249 L250 Y267L245-T247 PolarHBondContact O-N 3.44Å; T247-D249 PolarHBondContact O-N 2.88Å; T247-L250 PolarHBondContact O-N 3.02Å; T247-L250 VanDerWaalsContact O-N 3.16Å; T247-Y267 HydrophobicContact CG2-CE1 4.49Å
248D72.8Confident80.1Confident144 Ų14458.6 Ų58.677%0.7732%0.323SS*.THydrogen-bonded Turntrans-61.7-1.6173.9-61.5-30.4000113.1T251 K254D248-T251 WeakPolarHBondContact O-CG2 3.35Å; D248-K254 PolarHBondContact O-NZ 3.42Å
249D73.9Confident79.6Confident54 Ų5461.3 Ų61.329%0.28934%0.337SS..THydrogen-bonded Turntrans-86.3-22.5178-64.2-47000114.1T247 T251 K254 Y267T247-D249 PolarHBondContact O-N 2.88Å; D249-T251 VanDerWaalsContact C-N 3.28Å; D249-T251 PolarHBondContact O-N 2.74Å; D249-T251 VanDerWaalsContact O-N 3.14Å; D249-K254 HydrophobicContact CB-CD 4.33Å; D249-K254 WeakPolarHBondContact O-CB 3.35Å; D249-K254 WeakPolarHBondContact O-CD 3.14Å; D249-K254 IonicContact OD1-NZ 3.65Å; D249-K254 PolarHBondContact OD1-NZ 3.39Å; D249-Y267 HydrophobicContact CB-CE2 4.39Å; D249-Y267 PolarHBondContact OD2-OH 2.83Å
250L78.9Confident79.5Confident25 Ų2560.4 Ų60.413%0.13133%0.331CS..  trans-9155.8178.8-62.2-172.2000112.3L245 T247 F260 I264L245-L250 HydrophobicContact CB-CD1 3.9Å; L245-L250 WeakPolarHBondContact O-CD1 3.23Å; T247-L250 PolarHBondContact O-N 3.02Å; T247-L250 VanDerWaalsContact O-N 3.16Å; L250-F260 HydrophobicContact CD2-CE2 3.98Å; L250-F260 HydrophobicContact CD2-CZ 4.2Å; L250-I264 HydrophobicContact CD2-CG1 4.46Å
251T83.7Confident79.3Confident56 Ų5658.9 Ų58.934%0.34432%0.323SS..  trans-97.2157.8174.365.30000112.1D248 D249 E253 K254 A255D248-T251 WeakPolarHBondContact O-CG2 3.35Å; D249-T251 VanDerWaalsContact C-N 3.28Å; D249-T251 PolarHBondContact O-N 2.74Å; D249-T251 VanDerWaalsContact O-N 3.14Å; T251-E253 PolarHBondContact O-N 3.48Å; T251-K254 PolarHBondContact O-N 2.83Å; T251-K254 WeakPolarHBondContact OG1-CG 3.12Å; T251-K254 PolarHBondContact OG1-N 2.95Å; T251-A255 PolarHBondContact O-N 3.13Å
252L86.7Confident79.1Confident58 Ų5857.7 Ų57.730%0.30433%0.327SS..Hα-helixtrans-58.1-38.1176.7-177.265.5000111.8L228 M231 A255 L256L228-L252 HydrophobicContact CD2-CD1 4.37Å; M231-L252 HydrophobicContact CB-CD1 4.2Å; L252-A255 WeakPolarHBondContact O-CB 3.37Å; L252-A255 PolarHBondContact O-N 2.93Å; L252-L256 WeakPolarHBondContact O-CG 3.08Å; L252-L256 PolarHBondContact O-N 3.35Å
253E84.1Confident79Confident106 Ų10657.8 Ų57.850%0.49533%0.327SS..Hα-helixtrans-64.8-43.1178.6-62.8-171.7160.600112.1T251 A255 L256T251-E253 PolarHBondContact O-N 3.48Å; E253-A255 VanDerWaalsContact C-N 3.26Å; E253-A255 PolarHBondContact O-N 2.97Å; E253-L256 PolarHBondContact O-N 3.09Å
254K83.5Confident79.2Confident41 Ų4153.6 Ų53.618%0.17830%0.299CS..Hα-helixtrans-65.6-33.5176.8-70.4178.9176.5171.50111D248 D249 T251 L256 L257 F260D248-K254 PolarHBondContact O-NZ 3.42Å; D249-K254 HydrophobicContact CB-CD 4.33Å; D249-K254 WeakPolarHBondContact O-CB 3.35Å; D249-K254 WeakPolarHBondContact O-CD 3.14Å; D249-K254 IonicContact OD1-NZ 3.65Å; D249-K254 PolarHBondContact OD1-NZ 3.39Å; T251-K254 PolarHBondContact O-N 2.83Å; T251-K254 WeakPolarHBondContact OG1-CG 3.12Å; T251-K254 PolarHBondContact OG1-N 2.95Å; K254-L256 PolarHBondContact O-N 3.27Å; K254-L257 WeakPolarHBondContact O-CB 3.36Å; K254-L257 PolarHBondContact O-N 2.76Å; K254-L257 VanDerWaalsContact O-N 3.15Å; K254-F260 HydrophobicContact CB-CD2 4.47Å; K254-F260 WeakPolarHBondContact O-CB 3.37Å; K254-F260 WeakPolarHBondContact O-CD2 3.33Å
255A86.5Confident79.6Confident0 Ų050.8 Ų50.80%028%0.284CS..Hα-helixtrans-64.1-21.7175.500000114.5M231 L235 T251 L252 E253 L257 F260 R290M231-A255 HydrophobicContact CE-CB 3.94Å; L235-A255 HydrophobicContact CD1-CB 3.88Å; T251-A255 PolarHBondContact O-N 3.13Å; L252-A255 WeakPolarHBondContact O-CB 3.37Å; L252-A255 PolarHBondContact O-N 2.93Å; E253-A255 VanDerWaalsContact C-N 3.26Å; E253-A255 PolarHBondContact O-N 2.97Å; A255-L257 VanDerWaalsContact C-N 3.35Å; A255-F260 HydrophobicContact CB-CD1 4.04Å; A255-F260 HydrophobicContact CB-CD2 4.38Å; A255-F260 HydrophobicContact CB-CE1 3.68Å; A255-F260 HydrophobicContact CB-CE2 4.1Å; A255-F260 HydrophobicContact CB-CG 4.35Å; A255-F260 HydrophobicContact CB-CZ 3.74Å; A255-R290 VanDerWaalsContact O-CD 3.29Å; A255-R290 WeakPolarHBondContact O-CD 3.42Å; A255-R290 PolarHBondContact O-NE 2.9Å
256L84.5Confident79.6Confident16 Ų1655.5 Ų55.58%0.08431%0.308CS..THydrogen-bonded Turntrans-80.7-16.5176.7-59.5178000113.2L228 L252 E253 K254 L293 V633 Q636L228-L256 HydrophobicContact CD2-CD2 3.87Å; L252-L256 WeakPolarHBondContact O-CG 3.08Å; L252-L256 PolarHBondContact O-N 3.35Å; E253-L256 PolarHBondContact O-N 3.09Å; K254-L256 PolarHBondContact O-N 3.27Å; L256-L293 HydrophobicContact CD2-CD2 3.64Å; L256-V633 HydrophobicContact CD1-CG1 4.26Å; L256-V633 HydrophobicContact CD2-CG1 3.86Å; L256-V633 HydrophobicContact CG-CG1 4.46Å; L256-Q636 HydrophobicContact CD1-CG 4.33Å
257L82.4Confident80Confident6 Ų653.1 Ų53.13%0.03129%0.291CS..SBendtrans-77.9151.7-177.4-61.7168.6000111.1K254 A255 N259 F260 R290 T640 K644K254-L257 WeakPolarHBondContact O-CB 3.36Å; K254-L257 PolarHBondContact O-N 2.76Å; K254-L257 VanDerWaalsContact O-N 3.15Å; A255-L257 VanDerWaalsContact C-N 3.35Å; L257-N259 VanDerWaalsContact C-N 3.3Å; L257-N259 VanDerWaalsContact CB-OD1 3.22Å; L257-N259 WeakPolarHBondContact CB-OD1 3.22Å; L257-N259 PolarHBondContact O-N 2.99Å; L257-F260 WeakPolarHBondContact O-CB 3.37Å; L257-F260 PolarHBondContact O-N 3.15Å; L257-R290 PolarHBondContact O-NH2 3.16Å; L257-T640 HydrophobicContact CD1-CG2 4.25Å; L257-T640 HydrophobicContact CD2-CG2 3.91Å; L257-T640 HydrophobicContact CG-CG2 4.4Å; L257-K644 HydrophobicContact CD1-CD 3.63Å; L257-K644 VanDerWaalsContact CD1-CE 3.47Å
258P76Confident80.4Confident76 Ų7651.2 Ų51.249%0.49428%0.279SS..THydrogen-bonded Turntrans-64.8-33.9-18022.2-29.4000113F260P258-F260 PolarHBondContact O-N 3.4Å
259N77Confident80.5Confident59 Ų5948.7 Ų48.732%0.31627%0.265SS..THydrogen-bonded Turntrans-77.82.3-177.164.8-16.9000114.1L257 D261 S262 L263L257-N259 VanDerWaalsContact C-N 3.3Å; L257-N259 VanDerWaalsContact CB-OD1 3.22Å; L257-N259 WeakPolarHBondContact CB-OD1 3.22Å; L257-N259 PolarHBondContact O-N 2.99Å; N259-D261 VanDerWaalsContact C-N 3.29Å; N259-D261 PolarHBondContact O-N 2.49Å; N259-S262 PolarHBondContact O-N 2.75Å; N259-L263 WeakPolarHBondContact O-CG 3.46Å; N259-L263 PolarHBondContact O-N 2.96Å
260F83.8Confident80.4Confident0 Ų050.3 Ų50.30%028%0.279CS..Hα-helixtrans-63.8-32.4-178.4-173.5-116.3000113.3L235 L250 K254 A255 L257 P258 L263 I264 I286L235-F260 HydrophobicContact CD2-CE1 4.38Å; L235-F260 HydrophobicContact CD2-CZ 3.87Å; L250-F260 HydrophobicContact CD2-CE2 3.98Å; L250-F260 HydrophobicContact CD2-CZ 4.2Å; K254-F260 HydrophobicContact CB-CD2 4.47Å; K254-F260 WeakPolarHBondContact O-CB 3.37Å; K254-F260 WeakPolarHBondContact O-CD2 3.33Å; A255-F260 HydrophobicContact CB-CD1 4.04Å; A255-F260 HydrophobicContact CB-CD2 4.38Å; A255-F260 HydrophobicContact CB-CE1 3.68Å; A255-F260 HydrophobicContact CB-CE2 4.1Å; A255-F260 HydrophobicContact CB-CG 4.35Å; A255-F260 HydrophobicContact CB-CZ 3.74Å; L257-F260 WeakPolarHBondContact O-CB 3.37Å; L257-F260 PolarHBondContact O-N 3.15Å; P258-F260 PolarHBondContact O-N 3.4Å; F260-L263 PolarHBondContact O-N 3.01Å; F260-I264 HydrophobicContact CD1-CD1 3.61Å; F260-I264 HydrophobicContact CD1-CG1 4.16Å; F260-I264 HydrophobicContact CD2-CG1 4.49Å; F260-I264 HydrophobicContact CE1-CD1 3.09Å; F260-I264 HydrophobicContact CE1-CG1 3.83Å; F260-I264 HydrophobicContact CE2-CD1 4.28Å; F260-I264 HydrophobicContact CE2-CG1 4.14Å; F260-I264 HydrophobicContact CG-CD1 4.41Å; F260-I264 HydrophobicContact CG-CG1 4.49Å; F260-I264 HydrophobicContact CZ-CD1 3.47Å; F260-I264 VanDerWaalsContact CZ-CD1 3.47Å; F260-I264 HydrophobicContact CZ-CG1 3.8Å; F260-I264 WeakPolarHBondContact O-CG1 3.27Å; F260-I264 PolarHBondContact O-N 2.97Å; F260-I286 HydrophobicContact CE1-CG2 3.94Å
261D81.9Confident80Confident82 Ų8250.9 Ų50.944%0.43928%0.284SS..Hα-helixtrans-63.9-44175.4-65.4-52.3000111.2N259 L263 I264 S265 R290N259-D261 VanDerWaalsContact C-N 3.29Å; N259-D261 PolarHBondContact O-N 2.49Å; D261-L263 VanDerWaalsContact C-N 3.32Å; D261-L263 PolarHBondContact O-N 3.14Å; D261-I264 PolarHBondContact O-N 3.49Å; D261-S265 WeakPolarHBondContact O-CB 3.31Å; D261-S265 PolarHBondContact O-N 2.82Å; D261-R290 IonicContact OD1-CZ 3.81Å; D261-R290 IonicContact OD1-NH1 3.99Å; D261-R290 PolarHBondContact OD1-NH1 2.94Å; D261-R290 IonicContact OD2-CZ 2.81Å; D261-R290 IonicContact OD2-NH1 3.6Å; D261-R290 PolarHBondContact OD2-NH1 3.43Å; D261-R290 IonicContact OD2-NH2 3.82Å
262S77.3Confident79.6Confident84 Ų8453 Ų5359%0.58729%0.285SS*.Hα-helixtrans-62.5-40.3175.2-530000111.7N259 S265 L266N259-S262 PolarHBondContact O-N 2.75Å; S262-S265 PolarHBondContact O-N 3.34Å; S262-L266 WeakPolarHBondContact O-CB 3.47Å; S262-L266 PolarHBondContact O-N 2.8Å
263L78.7Confident78.8Confident23 Ų2354.5 Ų54.512%0.1229%0.293CS..Hα-helixtrans-64.3-47.2175.5-69.9173.5000111.5N259 F260 D261 S265 L266 Y267N259-L263 WeakPolarHBondContact O-CG 3.46Å; N259-L263 PolarHBondContact O-N 2.96Å; F260-L263 PolarHBondContact O-N 3.01Å; D261-L263 VanDerWaalsContact C-N 3.32Å; D261-L263 PolarHBondContact O-N 3.14Å; L263-S265 VanDerWaalsContact C-N 3.35Å; L263-S265 PolarHBondContact O-N 2.83Å; L263-L266 WeakPolarHBondContact O-CB 3.28Å; L263-L266 PolarHBondContact O-N 3.42Å; L263-Y267 WeakPolarHBondContact O-CD2 3.22Å; L263-Y267 PolarHBondContact O-N 2.96Å
264I83.6Confident78.2Confident12 Ų1253.3 Ų53.36%0.06229%0.288CS..Hα-helixtrans-59.1-48.5174.7-73.6-179000109.9L250 F260 D261 L266 Y267 V268 V283L250-I264 HydrophobicContact CD2-CG1 4.46Å; F260-I264 HydrophobicContact CD1-CD1 3.61Å; F260-I264 HydrophobicContact CD1-CG1 4.16Å; F260-I264 HydrophobicContact CD2-CG1 4.49Å; F260-I264 HydrophobicContact CE1-CD1 3.09Å; F260-I264 HydrophobicContact CE1-CG1 3.83Å; F260-I264 HydrophobicContact CE2-CD1 4.28Å; F260-I264 HydrophobicContact CE2-CG1 4.14Å; F260-I264 HydrophobicContact CG-CD1 4.41Å; F260-I264 HydrophobicContact CG-CG1 4.49Å; F260-I264 HydrophobicContact CZ-CD1 3.47Å; F260-I264 VanDerWaalsContact CZ-CD1 3.47Å; F260-I264 HydrophobicContact CZ-CG1 3.8Å; F260-I264 WeakPolarHBondContact O-CG1 3.27Å; F260-I264 PolarHBondContact O-N 2.97Å; D261-I264 PolarHBondContact O-N 3.49Å; I264-L266 VanDerWaalsContact C-N 3.28Å; I264-L266 PolarHBondContact O-N 3.24Å; I264-Y267 PolarHBondContact O-N 3.48Å; I264-V268 HydrophobicContact CG2-CB 4.26Å; I264-V268 HydrophobicContact CG2-CG2 3.72Å; I264-V268 WeakPolarHBondContact O-CB 3.39Å; I264-V268 WeakPolarHBondContact O-CG2 2.91Å; I264-V268 PolarHBondContact O-N 3.01Å; I264-V283 HydrophobicContact CG2-CG1 4.01Å; I264-V283 HydrophobicContact CG2-CG2 4.43Å
265S80Confident77.8Confident48 Ų4851.8 Ų51.834%0.33628%0.282SS..Hα-helixtrans-54.5-46179.4-146.20000110.8D261 S262 L263 Y267 V268 D269D261-S265 WeakPolarHBondContact O-CB 3.31Å; D261-S265 PolarHBondContact O-N 2.82Å; S262-S265 PolarHBondContact O-N 3.34Å; L263-S265 VanDerWaalsContact C-N 3.35Å; L263-S265 PolarHBondContact O-N 2.83Å; S265-Y267 VanDerWaalsContact C-N 3.31Å; S265-Y267 PolarHBondContact O-N 3.06Å; S265-V268 PolarHBondContact O-N 2.79Å; S265-D269 WeakPolarHBondContact CB-OD2 3.29Å; S265-D269 WeakPolarHBondContact O-CB 3.34Å; S265-D269 PolarHBondContact O-N 2.87Å; S265-D269 VanDerWaalsContact O-OD2 3.12Å; S265-D269 VanDerWaalsContact OG-CG 3.23Å; S265-D269 PolarHBondContact OG-OD1 3.37Å; S265-D269 PolarHBondContact OG-OD2 3.04Å
266L75.7Confident77.4Confident108 Ų10854 Ų5457%0.56530%0.297SS*.Hα-helixtrans-56.1-41.5-180-175.466.9000113.2S262 L263 I264 P270S262-L266 WeakPolarHBondContact O-CB 3.47Å; S262-L266 PolarHBondContact O-N 2.8Å; L263-L266 WeakPolarHBondContact O-CB 3.28Å; L263-L266 PolarHBondContact O-N 3.42Å; I264-L266 VanDerWaalsContact C-N 3.28Å; I264-L266 PolarHBondContact O-N 3.24Å; L266-P270 WeakPolarHBondContact O-CD 3.47Å
267Y77.7Confident77Confident72 Ų7255.3 Ų55.328%0.28231%0.308SS..Hα-helixtrans-83.8-32.9179.1-65.5-70.5000113.3T247 D249 L263 I264 S265T247-Y267 HydrophobicContact CG2-CE1 4.49Å; D249-Y267 HydrophobicContact CB-CE2 4.39Å; D249-Y267 PolarHBondContact OD2-OH 2.83Å; L263-Y267 WeakPolarHBondContact O-CD2 3.22Å; L263-Y267 PolarHBondContact O-N 2.96Å; I264-Y267 PolarHBondContact O-N 3.48Å; S265-Y267 VanDerWaalsContact C-N 3.31Å; S265-Y267 PolarHBondContact O-N 3.06Å
268V79.9Confident77.1Confident5 Ų557.5 Ų57.53%0.0332%0.321CS..Hα-helixtrans-90.7-34-169.5176.30000111.2L245 I264 S265 V271 W272 L275L245-V268 HydrophobicContact CD1-CG2 4.25Å; L245-V268 HydrophobicContact CD2-CG2 4.34Å; I264-V268 HydrophobicContact CG2-CB 4.26Å; I264-V268 HydrophobicContact CG2-CG2 3.72Å; I264-V268 WeakPolarHBondContact O-CB 3.39Å; I264-V268 WeakPolarHBondContact O-CG2 2.91Å; I264-V268 PolarHBondContact O-N 3.01Å; S265-V268 PolarHBondContact O-N 2.79Å; V268-V271 CarbonylContact O-C 3.42Å; V268-V271 PolarHBondContact O-N 2.88Å; V268-W272 HydrophobicContact CG1-CE3 3.35Å; V268-W272 HydrophobicContact CG1-CZ3 3.64Å; V268-W272 VanDerWaalsContact O-CA 3.3Å; V268-W272 WeakPolarHBondContact O-CA 3.29Å; V268-W272 PolarHBondContact O-N 3.27Å; V268-L275 HydrophobicContact CB-CD1 4.42Å; V268-L275 HydrophobicContact CG1-CD1 3.25Å
269D74Confident77.5Confident91 Ų9153.9 Ų53.949%0.48730%0.298SS..G310 helixtrans-57-45.3-178.4-70.1-21.3000113.7S265 V271 W272S265-D269 WeakPolarHBondContact CB-OD2 3.29Å; S265-D269 WeakPolarHBondContact O-CB 3.34Å; S265-D269 PolarHBondContact O-N 2.87Å; S265-D269 VanDerWaalsContact O-OD2 3.12Å; S265-D269 VanDerWaalsContact OG-CG 3.23Å; S265-D269 PolarHBondContact OG-OD1 3.37Å; S265-D269 PolarHBondContact OG-OD2 3.04Å; D269-V271 PolarHBondContact O-N 2.97Å; D269-V271 VanDerWaalsContact O-N 3.17Å; D269-W272 WeakPolarHBondContact O-CB 3.23Å; D269-W272 PolarHBondContact O-N 2.88Å
270P71.6Confident77.8Confident88 Ų8855.3 Ų55.357%0.57130%0.299SS*.G310 helixtrans-61.9-26.9177.6-22.234.1000113.2L266L266-P270 WeakPolarHBondContact O-CD 3.47Å
271V71.6Confident77.9Confident38 Ų3858.4 Ų58.423%0.2331%0.311CS..G310 helixtrans-108.92.4-174.3-167.60000111.1V268 D269 N273 Q274 L275V268-V271 CarbonylContact O-C 3.42Å; V268-V271 PolarHBondContact O-N 2.88Å; D269-V271 PolarHBondContact O-N 2.97Å; D269-V271 VanDerWaalsContact O-N 3.17Å; V271-N273 VanDerWaalsContact C-N 3.25Å; V271-N273 PolarHBondContact O-N 3.39Å; V271-Q274 HydrophobicContact CG1-CB 3.82Å; V271-Q274 HydrophobicContact CG1-CG 4.46Å; V271-Q274 WeakPolarHBondContact O-CA 3.47Å; V271-Q274 WeakPolarHBondContact O-CB 3.38Å; V271-Q274 PolarHBondContact O-N 2.91Å; V271-L275 HydrophobicContact CG1-CD2 4.45Å; V271-L275 HydrophobicContact CG1-CG 4.44Å; V271-L275 PolarHBondContact O-N 3.45Å; V271-L275 VanDerWaalsContact O-N 3.1Å
272W75Confident78.2Confident100 Ų10054.7 Ų54.738%0.37929%0.29SS..THydrogen-bonded Turntrans-55-40.5-166.1-177.9-100.2000113.2V268 D269 L275 R280V268-W272 HydrophobicContact CG1-CE3 3.35Å; V268-W272 HydrophobicContact CG1-CZ3 3.64Å; V268-W272 VanDerWaalsContact O-CA 3.3Å; V268-W272 WeakPolarHBondContact O-CA 3.29Å; V268-W272 PolarHBondContact O-N 3.27Å; D269-W272 WeakPolarHBondContact O-CB 3.23Å; D269-W272 PolarHBondContact O-N 2.88Å; W272-L275 HydrophobicContact CE3-CD1 4.3Å; W272-L275 PolarHBondContact O-N 2.93Å; W272-R280 HydrophobicContact CH2-CB 4.4Å; W272-R280 HydrophobicContact CH2-CG 4.02Å; W272-R280 HydrophobicContact CZ2-CG 3.98Å; W272-R280 HydrophobicContact CZ3-CG 4.34Å
273N70.8Confident78.7Confident89 Ų8951.7 Ų51.748%0.47627%0.269SS..THydrogen-bonded Turntrans-74.7-24.2179.7-65.6-34.5000113.5V271V271-N273 VanDerWaalsContact C-N 3.25Å; V271-N273 PolarHBondContact O-N 3.39Å
274Q70.2Confident79.1Confident81 Ų8152.3 Ų52.338%0.37928%0.28SS..THydrogen-bonded Turntrans-85.2-19.4178.5-55.5179.25.300111.8V271V271-Q274 HydrophobicContact CG1-CB 3.82Å; V271-Q274 HydrophobicContact CG1-CG 4.46Å; V271-Q274 WeakPolarHBondContact O-CA 3.47Å; V271-Q274 WeakPolarHBondContact O-CB 3.38Å; V271-Q274 PolarHBondContact O-N 2.91Å
275L75.1Confident79.4Confident9 Ų952.4 Ų52.45%0.04728%0.281CS..SBendtrans-64.3138.3-179.3-71172.6000112.7N242 V268 V271 W272 R280N242-L275 WeakPolarHBondContact OD1-CD2 3.43Å; V268-L275 HydrophobicContact CB-CD1 4.42Å; V268-L275 HydrophobicContact CG1-CD1 3.25Å; V271-L275 HydrophobicContact CG1-CD2 4.45Å; V271-L275 HydrophobicContact CG1-CG 4.44Å; V271-L275 PolarHBondContact O-N 3.45Å; V271-L275 VanDerWaalsContact O-N 3.1Å; W272-L275 HydrophobicContact CE3-CD1 4.3Å; W272-L275 PolarHBondContact O-N 2.93Å; L275-R280 HydrophobicContact CB-CG 4Å; L275-R280 HydrophobicContact CD1-CG 4.47Å
276S78.5Confident79.8Confident47 Ų4750.2 Ų50.233%0.32927%0.265SS..  trans-59.2155.517282.80000110.7V278 S279 R280S276-V278 PolarHBondContact O-N 3.44Å; S276-V278 PolarHBondContact OG-N 2.93Å; S276-S279 PolarHBondContact O-N 3.41Å; S276-S279 PolarHBondContact OG-N 3.35Å; S276-S279 PolarHBondContact OG-OG 3.07Å; S276-R280 PolarHBondContact O-N 3.21Å; S276-R280 VanDerWaalsContact O-N 3.09Å
277S77.5Confident80.5Confident44 Ų4447 Ų4731%0.30826%0.255SS..Hα-helixtrans-65.4-17.4173.647.50000113.6R281 R791S277-R281 WeakPolarHBondContact O-CB 3.44Å; S277-R281 PolarHBondContact O-N 2.83Å; S277-R791 PolarHBondContact OG-NH2 2.87Å
278V83.2Confident81.1Confident52 Ų5245.3 Ų45.332%0.31525%0.254SS..Hα-helixtrans-75-49172.5-1800000109.1S276 R280 R281 L282S276-V278 PolarHBondContact O-N 3.44Å; S276-V278 PolarHBondContact OG-N 2.93Å; V278-R280 PolarHBondContact O-N 3.4Å; V278-R281 CarbonylContact O-C 3.6Å; V278-R281 WeakPolarHBondContact O-CA 3.45Å; V278-R281 VanDerWaalsContact O-CB 3.32Å; V278-R281 WeakPolarHBondContact O-CB 3.47Å; V278-R281 PolarHBondContact O-N 2.86Å; V278-L282 HydrophobicContact CG1-CD1 4.16Å; V278-L282 HydrophobicContact CG1-CG 4.38Å; V278-L282 WeakPolarHBondContact O-CG 3.3Å; V278-L282 PolarHBondContact O-N 3.33Å
279S84.7Confident81.7Confident0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-59.6-44.2178.9-49.10000112.5N242 S276 R281 L282 V283N242-S279 WeakPolarHBondContact ND2-CB 3.35Å; N242-S279 PolarHBondContact ND2-OG 3.3Å; S276-S279 PolarHBondContact O-N 3.41Å; S276-S279 PolarHBondContact OG-N 3.35Å; S276-S279 PolarHBondContact OG-OG 3.07Å; S279-R281 VanDerWaalsContact C-N 3.27Å; S279-R281 PolarHBondContact O-N 2.96Å; S279-L282 PolarHBondContact O-N 3.25Å; S279-V283 WeakPolarHBondContact O-CG2 3.45Å; S279-V283 PolarHBondContact O-N 3.09Å
280R84Confident82.6Confident89 Ų8941.3 Ų41.334%0.33623%0.231SC..Hα-helixtrans-62.8-33.7174.8-74.6-173.5-77142.4-10.9112.9W272 L275 S276 V278 G284W272-R280 HydrophobicContact CH2-CB 4.4Å; W272-R280 HydrophobicContact CH2-CG 4.02Å; W272-R280 HydrophobicContact CZ2-CG 3.98Å; W272-R280 HydrophobicContact CZ3-CG 4.34Å; L275-R280 HydrophobicContact CB-CG 4Å; L275-R280 HydrophobicContact CD1-CG 4.47Å; S276-R280 PolarHBondContact O-N 3.21Å; S276-R280 VanDerWaalsContact O-N 3.09Å; V278-R280 PolarHBondContact O-N 3.4Å; R280-G284 PolarHBondContact O-N 3.48Å
281R85.4Confident83.5Confident65 Ų6544.6 Ų44.625%0.24523%0.232CC..Hα-helixtrans-68.9-46174.3-171.9-172.5-49.2152.612.1111S277 V278 S279 V283 G284 D285 G336 C337S277-R281 WeakPolarHBondContact O-CB 3.44Å; S277-R281 PolarHBondContact O-N 2.83Å; V278-R281 CarbonylContact O-C 3.6Å; V278-R281 WeakPolarHBondContact O-CA 3.45Å; V278-R281 VanDerWaalsContact O-CB 3.32Å; V278-R281 WeakPolarHBondContact O-CB 3.47Å; V278-R281 PolarHBondContact O-N 2.86Å; S279-R281 VanDerWaalsContact C-N 3.27Å; S279-R281 PolarHBondContact O-N 2.96Å; R281-V283 VanDerWaalsContact C-N 3.3Å; R281-V283 PolarHBondContact O-N 3.1Å; R281-G284 CarbonylContact O-C 3.48Å; R281-G284 WeakPolarHBondContact O-CA 3.44Å; R281-G284 PolarHBondContact O-N 3.38Å; R281-D285 PolarHBondContact O-N 3.41Å; R281-G336 WeakPolarHBondContact CD-O 3.46Å; R281-G336 VanDerWaalsContact CZ-O 3.25Å; R281-G336 PolarHBondContact NE-O 3.49Å; R281-G336 VanDerWaalsContact NE-O 3.1Å; R281-G336 VanDerWaalsContact NH1-C 3.27Å; R281-G336 PolarHBondContact NH1-O 3.37Å; R281-C337 PolarHBondContact NH1-O 2.95Å
282L88Confident84.4Confident3 Ų343 Ų432%0.01622%0.222CC..Hα-helixtrans-58.4-40.2178.1-70.5172.2000112.2E237 L238 V278 S279 G284 D285 I286E237-L282 HydrophobicContact CB-CD1 4Å; E237-L282 HydrophobicContact CB-CD2 4.43Å; E237-L282 HydrophobicContact CG-CD1 3.79Å; E237-L282 HydrophobicContact CG-CD2 4.46Å; L238-L282 HydrophobicContact CB-CB 4.49Å; L238-L282 HydrophobicContact CB-CD1 4.25Å; L238-L282 HydrophobicContact CD1-CB 4.25Å; V278-L282 HydrophobicContact CG1-CD1 4.16Å; V278-L282 HydrophobicContact CG1-CG 4.38Å; V278-L282 WeakPolarHBondContact O-CG 3.3Å; V278-L282 PolarHBondContact O-N 3.33Å; S279-L282 PolarHBondContact O-N 3.25Å; L282-G284 VanDerWaalsContact C-N 3.34Å; L282-G284 PolarHBondContact O-N 2.97Å; L282-D285 PolarHBondContact O-N 3.1Å; L282-I286 WeakPolarHBondContact O-CD1 3.22Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.18Å; L282-I286 PolarHBondContact O-N 2.76Å
283V87.9Confident85.3Confident22 Ų2238.4 Ų38.413%0.13321%0.205CC..Hα-helixtrans-59.8-45173.3173.30000111L238 I264 S279 R281 I286 A287L238-V283 HydrophobicContact CD1-CG2 4.18Å; L238-V283 HydrophobicContact CD2-CG2 4.23Å; I264-V283 HydrophobicContact CG2-CG1 4.01Å; I264-V283 HydrophobicContact CG2-CG2 4.43Å; S279-V283 WeakPolarHBondContact O-CG2 3.45Å; S279-V283 PolarHBondContact O-N 3.09Å; R281-V283 VanDerWaalsContact C-N 3.3Å; R281-V283 PolarHBondContact O-N 3.1Å; V283-I286 PolarHBondContact O-N 3.42Å; V283-A287 PolarHBondContact O-N 3.44Å; V283-A287 VanDerWaalsContact O-N 3.08Å
284G87.4Confident86.1Confident35 Ų3535.7 Ų35.736%0.36119%0.189SC..Hα-helixtrans-66-35174.500000114R280 R281 L282 A287 S288R280-G284 PolarHBondContact O-N 3.48Å; R281-G284 CarbonylContact O-C 3.48Å; R281-G284 WeakPolarHBondContact O-CA 3.44Å; R281-G284 PolarHBondContact O-N 3.38Å; L282-G284 VanDerWaalsContact C-N 3.34Å; L282-G284 PolarHBondContact O-N 2.97Å; G284-A287 PolarHBondContact O-N 3.43Å; G284-S288 WeakPolarHBondContact O-CB 3.4Å; G284-S288 PolarHBondContact O-N 3.02Å; G284-S288 PolarHBondContact O-OG 3.14Å
285D88.6Confident87Confident15 Ų1532.7 Ų32.78%0.0818%0.176CC..Hα-helixtrans-66.2-45.9175.7-71.9-31.9000110.7R281 L282 A287 S288 L289 W340R281-D285 PolarHBondContact O-N 3.41Å; L282-D285 PolarHBondContact O-N 3.1Å; D285-A287 VanDerWaalsContact C-N 3.34Å; D285-A287 PolarHBondContact O-N 3.22Å; D285-S288 WeakPolarHBondContact O-CB 3.26Å; D285-S288 PolarHBondContact O-N 3.49Å; D285-S288 VanDerWaalsContact O-N 3.14Å; D285-L289 WeakPolarHBondContact O-CB 3.35Å; D285-L289 WeakPolarHBondContact O-CG 3.46Å; D285-L289 PolarHBondContact O-N 3.13Å; D285-W340 PolarHBondContact OD1-NE1 3.46Å
286I90.1Very high87.8Confident1 Ų132.4 Ų32.41%0.00517%0.174CC..Hα-helixtrans-60.6-44.2176.2-68.3159.6000110.6L235 L238 F260 L282 V283 S288 L289 R290L235-I286 HydrophobicContact CD2-CD1 3.67Å; L235-I286 HydrophobicContact CD2-CG1 4.44Å; L235-I286 HydrophobicContact CG-CD1 4.09Å; L235-I286 HydrophobicContact CG-CG1 4.48Å; L238-I286 HydrophobicContact CD2-CD1 3.92Å; F260-I286 HydrophobicContact CE1-CG2 3.94Å; L282-I286 WeakPolarHBondContact O-CD1 3.22Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.18Å; L282-I286 PolarHBondContact O-N 2.76Å; V283-I286 PolarHBondContact O-N 3.42Å; I286-S288 VanDerWaalsContact C-N 3.32Å; I286-S288 PolarHBondContact O-N 3.29Å; I286-L289 PolarHBondContact O-N 3.28Å; I286-R290 WeakPolarHBondContact O-CB 3.47Å; I286-R290 WeakPolarHBondContact O-CG 3.42Å; I286-R290 PolarHBondContact O-N 3.38Å
287A90.2Very high88.3Confident41 Ų4130.7 Ų30.734%0.33916%0.161SC..Hα-helixtrans-61.2-40.9174.900000112V283 G284 D285 R291V283-A287 PolarHBondContact O-N 3.44Å; V283-A287 VanDerWaalsContact O-N 3.08Å; G284-A287 PolarHBondContact O-N 3.43Å; D285-A287 VanDerWaalsContact C-N 3.34Å; D285-A287 PolarHBondContact O-N 3.22Å; A287-R291 WeakPolarHBondContact O-CB 3.36Å; A287-R291 PolarHBondContact O-N 2.98Å
288S90.3Very high88.6Confident37 Ų3729.8 Ų29.826%0.25915%0.152SC..Hα-helixtrans-66.6-43.3177.3-59.20000112.2G284 D285 I286 R291 L292G284-S288 WeakPolarHBondContact O-CB 3.4Å; G284-S288 PolarHBondContact O-N 3.02Å; G284-S288 PolarHBondContact O-OG 3.14Å; D285-S288 WeakPolarHBondContact O-CB 3.26Å; D285-S288 PolarHBondContact O-N 3.49Å; D285-S288 VanDerWaalsContact O-N 3.14Å; I286-S288 VanDerWaalsContact C-N 3.32Å; I286-S288 PolarHBondContact O-N 3.29Å; S288-R291 WeakPolarHBondContact O-CB 3.42Å; S288-R291 PolarHBondContact O-N 3.33Å; S288-L292 WeakPolarHBondContact O-CG 3.48Å; S288-L292 PolarHBondContact O-N 3.2Å
289L92.2Very high88.4Confident0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-64.5-41.4176.3-70.6172.9000111.7I227 L230 M231 D285 I286 R291 L292 L293 W340I227-L289 HydrophobicContact CG2-CB 4.44Å; L230-L289 HydrophobicContact CB-CD1 4.03Å; L230-L289 HydrophobicContact CB-CD2 4.25Å; L230-L289 HydrophobicContact CD1-CD2 4.37Å; M231-L289 HydrophobicContact CG-CB 3.61Å; M231-L289 HydrophobicContact CG-CD1 3.88Å; M231-L289 HydrophobicContact CG-CG 4.36Å; M231-L289 HydrophobicContact SD-CB 4.28Å; D285-L289 WeakPolarHBondContact O-CB 3.35Å; D285-L289 WeakPolarHBondContact O-CG 3.46Å; D285-L289 PolarHBondContact O-N 3.13Å; I286-L289 PolarHBondContact O-N 3.28Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 3.34Å; L289-L292 HydrophobicContact CD2-CD1 4.45Å; L289-L292 WeakPolarHBondContact O-CB 3.46Å; L289-L292 PolarHBondContact O-N 3.31Å; L289-L293 PolarHBondContact O-N 3.02Å; L289-W340 HydrophobicContact CD2-CD2 4.26Å; L289-W340 HydrophobicContact CD2-CE3 4.21Å; L289-W340 HydrophobicContact CD2-CH2 4.01Å; L289-W340 HydrophobicContact CD2-CZ2 4.07Å; L289-W340 HydrophobicContact CD2-CZ3 4.09Å
290R91.9Very high88.4Confident11 Ų1128.3 Ų28.34%0.04215%0.145CC..Hα-helixtrans-60.8-43.4172.8-74.9175.369.7-132.1-5111.5M231 A255 L257 D261 I286 L292 L293 H294M231-R290 HydrophobicContact CE-CG 3.48Å; M231-R290 VanDerWaalsContact CE-CG 3.48Å; M231-R290 HydrophobicContact SD-CG 4.14Å; A255-R290 VanDerWaalsContact O-CD 3.29Å; A255-R290 WeakPolarHBondContact O-CD 3.42Å; A255-R290 PolarHBondContact O-NE 2.9Å; L257-R290 PolarHBondContact O-NH2 3.16Å; D261-R290 IonicContact OD1-CZ 3.81Å; D261-R290 IonicContact OD1-NH1 3.99Å; D261-R290 PolarHBondContact OD1-NH1 2.94Å; D261-R290 IonicContact OD2-CZ 2.81Å; D261-R290 IonicContact OD2-NH1 3.6Å; D261-R290 PolarHBondContact OD2-NH1 3.43Å; D261-R290 IonicContact OD2-NH2 3.82Å; I286-R290 WeakPolarHBondContact O-CB 3.47Å; I286-R290 WeakPolarHBondContact O-CG 3.42Å; I286-R290 PolarHBondContact O-N 3.38Å; R290-L292 PolarHBondContact O-N 3.48Å; R290-L293 WeakPolarHBondContact O-CB 3.33Å; R290-L293 PolarHBondContact O-N 3.18Å; R290-H294 PolarHBondContact O-CD2 2.71Å; R290-H294 PolarHBondContact O-N 3.31Å
291R90.3Very high88.5Confident158 Ų15824.2 Ų24.260%0.59613%0.131SC*.Hα-helixtrans-60.5-43.3174.3-179178.7172.2174.6-3.4111.9A287 S288 L289 L293 H294 L295A287-R291 WeakPolarHBondContact O-CB 3.36Å; A287-R291 PolarHBondContact O-N 2.98Å; S288-R291 WeakPolarHBondContact O-CB 3.42Å; S288-R291 PolarHBondContact O-N 3.33Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 3.34Å; R291-L293 VanDerWaalsContact C-N 3.32Å; R291-L293 PolarHBondContact O-N 2.93Å; R291-H294 PolarHBondContact O-N 3.4Å; R291-L295 HydrophobicContact CG-CD1 4.04Å; R291-L295 HydrophobicContact CG-CG 4.42Å; R291-L295 WeakPolarHBondContact O-CB 3.47Å; R291-L295 VanDerWaalsContact O-CG 3.31Å; R291-L295 WeakPolarHBondContact O-CG 3.36Å; R291-L295 PolarHBondContact O-N 2.88Å
292L92.3Very high88.6Confident3 Ų321.2 Ų21.22%0.01612%0.12CC..Hα-helixtrans-61-40.8175.1-73.1178.6000111.9I227 S288 L289 R290 H294 L295 L296 F304 N307 I308 L311I227-L292 HydrophobicContact CD1-CB 4.21Å; S288-L292 WeakPolarHBondContact O-CG 3.48Å; S288-L292 PolarHBondContact O-N 3.2Å; L289-L292 HydrophobicContact CD2-CD1 4.45Å; L289-L292 WeakPolarHBondContact O-CB 3.46Å; L289-L292 PolarHBondContact O-N 3.31Å; R290-L292 PolarHBondContact O-N 3.48Å; L292-H294 PolarHBondContact O-N 2.83Å; L292-L295 PolarHBondContact O-N 3.06Å; L292-L296 WeakPolarHBondContact O-CB 3.44Å; L292-L296 PolarHBondContact O-N 3Å; L292-F304 HydrophobicContact CB-CE2 4.39Å; L292-F304 HydrophobicContact CD2-CE2 4.44Å; L292-F304 WeakPolarHBondContact O-CE2 3.04Å; L292-N307 HydrophobicContact CD2-CB 4.09Å; L292-I308 HydrophobicContact CD1-CG1 4.08Å; L292-I308 HydrophobicContact CD2-CD1 4.48Å; L292-I308 HydrophobicContact CD2-CG1 3.64Å; L292-L311 HydrophobicContact CD1-CD1 3.73Å; L292-L311 HydrophobicContact CD2-CD1 4.15Å; L292-L311 HydrophobicContact CG-CD1 4.04Å
293L92Very high88.5Confident4 Ų423.2 Ų23.22%0.02113%0.13CC..Hα-helixtrans-62.5-42.3177.5-166.556.4000112Q224 I227 L228 M231 L256 L289 R290 R291 L296 V633Q224-L293 HydrophobicContact CG-CD1 4.19Å; I227-L293 HydrophobicContact CB-CD1 4.33Å; I227-L293 HydrophobicContact CD1-CD1 4.31Å; I227-L293 HydrophobicContact CG2-CB 4.05Å; I227-L293 HydrophobicContact CG2-CD1 4.14Å; I227-L293 HydrophobicContact CG2-CG 4.48Å; L228-L293 HydrophobicContact CD2-CD2 4.16Å; M231-L293 HydrophobicContact SD-CD2 4.18Å; L256-L293 HydrophobicContact CD2-CD2 3.64Å; L289-L293 PolarHBondContact O-N 3.02Å; R290-L293 WeakPolarHBondContact O-CB 3.33Å; R290-L293 PolarHBondContact O-N 3.18Å; R291-L293 VanDerWaalsContact C-N 3.32Å; R291-L293 PolarHBondContact O-N 2.93Å; L293-L296 WeakPolarHBondContact O-CB 3.5Å; L293-L296 PolarHBondContact O-N 2.91Å; L293-V633 HydrophobicContact CD1-CG2 4.18Å; L293-V633 HydrophobicContact CD2-CB 4.42Å; L293-V633 HydrophobicContact CD2-CG1 3.8Å; L293-V633 HydrophobicContact CD2-CG2 4.13Å; L293-V633 HydrophobicContact CG-CG1 4.15Å; L293-V633 HydrophobicContact CG-CG2 4.44Å
294H88.3Confident88.7Confident32 Ų3222.2 Ų22.215%0.14812%0.124CC..Hα-helixtrans-65.8-43.1173.5-69.6-56.4000112.3R290 R291 L292 L296 I297 E298 R637R290-H294 PolarHBondContact O-CD2 2.71Å; R290-H294 PolarHBondContact O-N 3.31Å; R291-H294 PolarHBondContact O-N 3.4Å; L292-H294 PolarHBondContact O-N 2.83Å; H294-L296 VanDerWaalsContact C-N 3.26Å; H294-L296 PolarHBondContact O-N 3.15Å; H294-I297 PolarHBondContact O-N 3.31Å; H294-E298 WeakPolarHBondContact O-CB 3.46Å; H294-E298 PolarHBondContact O-N 3.2Å; H294-R637 PolarHBondContact CE1-NH1 3.33Å; H294-R637 VanDerWaalsContact CE1-NH1 3.29Å
295L89.6Confident88.9Confident18 Ų1820.5 Ų20.59%0.09411%0.107CC..Hα-helixtrans-64.2-29.1177-73.5171.8000112.9R291 L292 I297 G299 F304 N307R291-L295 HydrophobicContact CG-CD1 4.04Å; R291-L295 HydrophobicContact CG-CG 4.42Å; R291-L295 WeakPolarHBondContact O-CB 3.47Å; R291-L295 VanDerWaalsContact O-CG 3.31Å; R291-L295 WeakPolarHBondContact O-CG 3.36Å; R291-L295 PolarHBondContact O-N 2.88Å; L292-L295 PolarHBondContact O-N 3.06Å; L295-I297 VanDerWaalsContact C-N 3.34Å; L295-G299 CarbonylContact O-C 3.41Å; L295-G299 WeakPolarHBondContact O-CA 3.33Å; L295-G299 PolarHBondContact O-N 3.11Å; L295-F304 HydrophobicContact CB-CD2 4.3Å; L295-N307 HydrophobicContact CD1-CB 4.09Å
296L91.4Very high88.8Confident3 Ų321.6 Ų21.62%0.01611%0.114CC..Hα-helixtrans-63.1-41.3175.7177.960.6000111.6M220 C223 Q224 I227 L292 L293 H294 F304M220-L296 HydrophobicContact CB-CD1 4.38Å; M220-L296 HydrophobicContact CE-CD1 4.45Å; M220-L296 VanDerWaalsContact CE-O 3.3Å; M220-L296 WeakPolarHBondContact CE-O 3.31Å; M220-L296 HydrophobicContact CG-CD1 4.04Å; C223-L296 HydrophobicContact CB-CD1 3.95Å; C223-L296 HydrophobicContact CB-CD2 3.8Å; Q224-L296 HydrophobicContact CB-CD2 3.98Å; I227-L296 HydrophobicContact CD1-CD2 4.29Å; L292-L296 WeakPolarHBondContact O-CB 3.44Å; L292-L296 PolarHBondContact O-N 3Å; L293-L296 WeakPolarHBondContact O-CB 3.5Å; L293-L296 PolarHBondContact O-N 2.91Å; H294-L296 VanDerWaalsContact C-N 3.26Å; H294-L296 PolarHBondContact O-N 3.15Å; L296-F304 HydrophobicContact CB-CD2 4.19Å; L296-F304 HydrophobicContact CB-CE2 3.84Å; L296-F304 HydrophobicContact CB-CZ 4.42Å; L296-F304 HydrophobicContact CD1-CE1 4.3Å; L296-F304 HydrophobicContact CD1-CE2 4.22Å; L296-F304 HydrophobicContact CD1-CZ 4.05Å
297I88.2Confident88.8Confident12 Ų1223.3 Ų23.36%0.06212%0.123CC..Hα-helixtrans-86.9-47.3-173.4-63.1175.7000111.6H294 L295 Y629 V633 E634H294-I297 PolarHBondContact O-N 3.31Å; L295-I297 VanDerWaalsContact C-N 3.34Å; I297-Y629 HydrophobicContact CG2-CD2 3.81Å; I297-Y629 HydrophobicContact CG2-CE2 3.85Å; I297-V633 HydrophobicContact CD1-CB 4.02Å; I297-E634 HydrophobicContact CD1-CB 4.2Å; I297-E634 HydrophobicContact CG2-CB 4.21Å
298E84.2Confident88.8Confident24 Ų2421.9 Ų21.911%0.11211%0.11CC..Hα-helixtrans-89-30.6-174.4-61170-165.300112.6H294 R403H294-E298 WeakPolarHBondContact O-CB 3.46Å; H294-E298 PolarHBondContact O-N 3.2Å; E298-R403 IonicContact OE1-CZ 2.79Å; E298-R403 IonicContact OE1-NE 3.28Å; E298-R403 IonicContact OE1-NH1 3.73Å; E298-R403 IonicContact OE1-NH2 2.94Å; E298-R403 WeakPolarHBondContact OE2-CD 3.22Å; E298-R403 IonicContact OE2-CZ 2.67Å; E298-R403 IonicContact OE2-NE 2.64Å; E298-R403 PolarHBondContact OE2-NE 3.14Å; E298-R403 IonicContact OE2-NH1 3.5Å; E298-R403 PolarHBondContact OE2-NH1 3.28Å; E298-R403 IonicContact OE2-NH2 3.87Å
299G78.8Confident88.6Confident12 Ų1220.5 Ų20.512%0.12410%0.099CC..SBendtrans-92.2174.2-170.900000114.4L295L295-G299 CarbonylContact O-C 3.41Å; L295-G299 WeakPolarHBondContact O-CA 3.33Å; L295-G299 PolarHBondContact O-N 3.11Å
300D84.4Confident88.4Confident9 Ų922.1 Ų22.15%0.04812%0.116CC..  trans-85.6154.9174.360.6-66.5000112.1V302 N303 F304 L425D300-V302 PolarHBondContact O-N 3.27Å; D300-V302 PolarHBondContact OD2-N 3.3Å; D300-N303 VanDerWaalsContact CG-CB 3.4Å; D300-N303 PolarHBondContact O-N 3.08Å; D300-N303 WeakPolarHBondContact OD1-CB 3.45Å; D300-N303 VanDerWaalsContact OD2-CB 3.32Å; D300-N303 WeakPolarHBondContact OD2-CB 3.4Å; D300-N303 PolarHBondContact OD2-N 3.34Å; D300-F304 WeakPolarHBondContact O-CB 3.09Å; D300-F304 PolarHBondContact O-N 3.42Å; D300-L425 HydrophobicContact CB-CD1 4.19Å; D300-L425 HydrophobicContact CB-CD2 3.93Å; D300-L425 WeakPolarHBondContact OD2-CD2 3.49Å
301A88Confident88.1Confident3 Ų324.3 Ų24.33%0.02513%0.128CC..Hα-helixtrans-59.5-32.4179.800000113.1L305 R356 V357 E369A301-L305 WeakPolarHBondContact O-CB 3.31Å; A301-L305 PolarHBondContact O-N 2.99Å; A301-R356 HydrophobicContact CB-CB 4.06Å; A301-V357 HydrophobicContact CB-CG2 4.2Å; A301-E369 HydrophobicContact CB-CB 4.35Å
302V86.9Confident87.8Confident3 Ų319.7 Ų19.72%0.01811%0.111CC..Hα-helixtrans-73.8-48.5-178.3-178.60000110.9D300 F304 L305 T306 V357 V368 L425 L434D300-V302 PolarHBondContact O-N 3.27Å; D300-V302 PolarHBondContact OD2-N 3.3Å; V302-F304 VanDerWaalsContact C-N 3.3Å; V302-F304 PolarHBondContact O-N 2.93Å; V302-L305 PolarHBondContact O-N 3.48Å; V302-T306 HydrophobicContact CG1-CG2 4.39Å; V302-T306 VanDerWaalsContact O-CG2 3.23Å; V302-T306 WeakPolarHBondContact O-CG2 3.33Å; V302-T306 PolarHBondContact O-N 2.86Å; V302-T306 PolarHBondContact O-OG1 3.35Å; V302-V357 HydrophobicContact CG2-CG1 4.45Å; V302-V357 HydrophobicContact CG2-CG2 4.33Å; V302-V368 HydrophobicContact CG2-CG1 3.77Å; V302-V368 HydrophobicContact CG2-CG2 4.19Å; V302-L425 HydrophobicContact CB-CB 4.41Å; V302-L425 HydrophobicContact CG2-CB 3.96Å; V302-L434 HydrophobicContact CG1-CD1 4.14Å
303N86.5Confident87.2Confident45 Ų4524.4 Ų24.424%0.24113%0.133CC..Hα-helixtrans-62.7-38.1174.6-172.827.9000111.6D300 L305 T306 N307D300-N303 VanDerWaalsContact CG-CB 3.4Å; D300-N303 PolarHBondContact O-N 3.08Å; D300-N303 WeakPolarHBondContact OD1-CB 3.45Å; D300-N303 VanDerWaalsContact OD2-CB 3.32Å; D300-N303 WeakPolarHBondContact OD2-CB 3.4Å; D300-N303 PolarHBondContact OD2-N 3.34Å; N303-L305 VanDerWaalsContact C-N 3.35Å; N303-L305 PolarHBondContact O-N 2.92Å; N303-T306 VanDerWaalsContact CA-OG1 3.27Å; N303-T306 WeakPolarHBondContact CA-OG1 3.5Å; N303-T306 PolarHBondContact O-N 2.92Å; N303-T306 PolarHBondContact O-OG1 3.41Å; N303-N307 PolarHBondContact O-N 3.31Å; N303-N307 PolarHBondContact O-ND2 3.41Å; N303-N307 PolarHBondContact OD1-ND2 3.02Å
304F90.9Very high86.7Confident0 Ų027.1 Ų27.10%016%0.156CC..Hα-helixtrans-58.6-47.8172.8-179.9-105.4000111.3C223 I227 L292 L295 L296 D300 V302 N307 I308 A353C223-F304 HydrophobicContact CB-CZ 4.31Å; I227-F304 HydrophobicContact CD1-CE2 4.29Å; I227-F304 HydrophobicContact CD1-CZ 4.27Å; L292-F304 HydrophobicContact CB-CE2 4.39Å; L292-F304 HydrophobicContact CD2-CE2 4.44Å; L292-F304 WeakPolarHBondContact O-CE2 3.04Å; L295-F304 HydrophobicContact CB-CD2 4.3Å; L296-F304 HydrophobicContact CB-CD2 4.19Å; L296-F304 HydrophobicContact CB-CE2 3.84Å; L296-F304 HydrophobicContact CB-CZ 4.42Å; L296-F304 HydrophobicContact CD1-CE1 4.3Å; L296-F304 HydrophobicContact CD1-CE2 4.22Å; L296-F304 HydrophobicContact CD1-CZ 4.05Å; D300-F304 WeakPolarHBondContact O-CB 3.09Å; D300-F304 PolarHBondContact O-N 3.42Å; V302-F304 VanDerWaalsContact C-N 3.3Å; V302-F304 PolarHBondContact O-N 2.93Å; F304-N307 PolarHBondContact O-N 3.5Å; F304-I308 HydrophobicContact CD1-CD1 3.85Å; F304-I308 HydrophobicContact CD2-CD1 4.39Å; F304-I308 HydrophobicContact CE1-CD1 3.31Å; F304-I308 HydrophobicContact CE2-CD1 3.9Å; F304-I308 HydrophobicContact CG-CD1 4.38Å; F304-I308 HydrophobicContact CZ-CD1 3.34Å; F304-I308 HydrophobicContact CZ-CG1 4.45Å; F304-I308 WeakPolarHBondContact O-CG1 3.11Å; F304-I308 PolarHBondContact O-N 3.48Å; F304-I308 VanDerWaalsContact O-N 3.08Å; F304-A353 HydrophobicContact CD1-CB 4.12Å; F304-A353 HydrophobicContact CE1-CB 3.8Å
305L90.9Very high86.2Confident0 Ų025.9 Ų25.90%015%0.151CC..Hα-helixtrans-63.3-43.4176.5-178.365000112.3A301 V302 N303 N307 I308 E309 A353 R354 V357 Y358 L431A301-L305 WeakPolarHBondContact O-CB 3.31Å; A301-L305 PolarHBondContact O-N 2.99Å; V302-L305 PolarHBondContact O-N 3.48Å; N303-L305 VanDerWaalsContact C-N 3.35Å; N303-L305 PolarHBondContact O-N 2.92Å; L305-N307 VanDerWaalsContact C-N 3.3Å; L305-N307 PolarHBondContact O-N 3.35Å; L305-I308 PolarHBondContact O-N 3.1Å; L305-E309 HydrophobicContact CD1-CG 3.99Å; L305-E309 HydrophobicContact CG-CG 4.29Å; L305-E309 WeakPolarHBondContact O-CB 3.34Å; L305-E309 WeakPolarHBondContact O-CG 3.43Å; L305-E309 PolarHBondContact O-N 2.97Å; L305-A353 HydrophobicContact CD1-CB 4.11Å; L305-R354 HydrophobicContact CD1-CG 3.93Å; L305-V357 HydrophobicContact CB-CG2 4.16Å; L305-V357 HydrophobicContact CD2-CB 3.95Å; L305-V357 HydrophobicContact CD2-CG1 4.19Å; L305-V357 HydrophobicContact CD2-CG2 3.78Å; L305-Y358 HydrophobicContact CD2-CD2 4.49Å; L305-Y358 HydrophobicContact CD2-CE2 3.9Å; L305-L431 HydrophobicContact CD2-CD1 4Å; L305-L431 HydrophobicContact CG-CD1 4.22Å
306T88.4Confident85.6Confident37 Ų3725.5 Ų25.523%0.22715%0.149CC..Hα-helixtrans-61.6-39179.2600000111.6V302 N303 G310 L431V302-T306 HydrophobicContact CG1-CG2 4.39Å; V302-T306 VanDerWaalsContact O-CG2 3.23Å; V302-T306 WeakPolarHBondContact O-CG2 3.33Å; V302-T306 PolarHBondContact O-N 2.86Å; V302-T306 PolarHBondContact O-OG1 3.35Å; N303-T306 VanDerWaalsContact CA-OG1 3.27Å; N303-T306 WeakPolarHBondContact CA-OG1 3.5Å; N303-T306 PolarHBondContact O-N 2.92Å; N303-T306 PolarHBondContact O-OG1 3.41Å; T306-G310 PolarHBondContact O-N 2.88Å; T306-L431 HydrophobicContact CG2-CD1 3.69Å; T306-L431 HydrophobicContact CG2-CD2 4.46Å; T306-L431 HydrophobicContact CG2-CG 3.74Å
307N88.5Confident84.8Confident37 Ų3728.4 Ų28.420%0.19817%0.173CC..Hα-helixtrans-68.9-42.7177.2-77.4-81.7000111.5L292 L295 N303 F304 L305 G310 L311L292-N307 HydrophobicContact CD2-CB 4.09Å; L295-N307 HydrophobicContact CD1-CB 4.09Å; N303-N307 PolarHBondContact O-N 3.31Å; N303-N307 PolarHBondContact O-ND2 3.41Å; N303-N307 PolarHBondContact OD1-ND2 3.02Å; F304-N307 PolarHBondContact O-N 3.5Å; L305-N307 VanDerWaalsContact C-N 3.3Å; L305-N307 PolarHBondContact O-N 3.35Å; N307-G310 PolarHBondContact O-N 3.38Å; N307-L311 WeakPolarHBondContact O-CG 3.37Å; N307-L311 PolarHBondContact O-N 3.1Å
308I90Very high83.9Confident11 Ų1130.1 Ų30.16%0.05619%0.186CC..Hα-helixtrans-64.2-44.9176.2-69.3176.1000111.2L292 F304 L305 G310 L311 R312 L349 L350 A353L292-I308 HydrophobicContact CD1-CG1 4.08Å; L292-I308 HydrophobicContact CD2-CD1 4.48Å; L292-I308 HydrophobicContact CD2-CG1 3.64Å; F304-I308 HydrophobicContact CD1-CD1 3.85Å; F304-I308 HydrophobicContact CD2-CD1 4.39Å; F304-I308 HydrophobicContact CE1-CD1 3.31Å; F304-I308 HydrophobicContact CE2-CD1 3.9Å; F304-I308 HydrophobicContact CG-CD1 4.38Å; F304-I308 HydrophobicContact CZ-CD1 3.34Å; F304-I308 HydrophobicContact CZ-CG1 4.45Å; F304-I308 WeakPolarHBondContact O-CG1 3.11Å; F304-I308 PolarHBondContact O-N 3.48Å; F304-I308 VanDerWaalsContact O-N 3.08Å; L305-I308 PolarHBondContact O-N 3.1Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 2.89Å; I308-L311 PolarHBondContact O-N 3.01Å; I308-R312 WeakPolarHBondContact O-CB 2.92Å; I308-R312 PolarHBondContact O-N 3.02Å; I308-L349 HydrophobicContact CD1-CD2 4.01Å; I308-L349 HydrophobicContact CD1-CG 4.19Å; I308-L350 HydrophobicContact CG2-CD1 4.38Å; I308-A353 HydrophobicContact CD1-CB 3.93Å
309E87.2Confident83Confident8 Ų829.8 Ų29.84%0.03719%0.185CC..Hα-helixtrans-67.5-33.7177.4-68.2-146.8149.700112.1L305 R312 Q313 R354 L431L305-E309 HydrophobicContact CD1-CG 3.99Å; L305-E309 HydrophobicContact CG-CG 4.29Å; L305-E309 WeakPolarHBondContact O-CB 3.34Å; L305-E309 WeakPolarHBondContact O-CG 3.43Å; L305-E309 PolarHBondContact O-N 2.97Å; E309-R312 WeakPolarHBondContact O-CB 3.45Å; E309-R312 PolarHBondContact O-N 3.47Å; E309-Q313 WeakPolarHBondContact O-CB 3.41Å; E309-Q313 VanDerWaalsContact O-CG 3.28Å; E309-Q313 WeakPolarHBondContact O-CG 3.16Å; E309-Q313 PolarHBondContact O-N 2.87Å; E309-R354 IonicContact OE1-CZ 3.05Å; E309-R354 IonicContact OE1-NE 3.7Å; E309-R354 PolarHBondContact OE1-NE 3.26Å; E309-R354 IonicContact OE1-NH2 3.64Å; E309-R354 PolarHBondContact OE1-NH2 3.39Å; E309-L431 HydrophobicContact CB-CD2 4.19Å; E309-L431 HydrophobicContact CG-CD2 4.43Å; E309-L431 WeakPolarHBondContact OE2-CD2 3.12Å
310G86.9Confident82.3Confident34 Ų3432.6 Ų32.635%0.35121%0.214SC..Hα-helixtrans-62.1-45.2171.100000112.4T306 N307 I308 R312 Q313 A314T306-G310 PolarHBondContact O-N 2.88Å; N307-G310 PolarHBondContact O-N 3.38Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 2.89Å; G310-R312 VanDerWaalsContact C-N 3.33Å; G310-R312 PolarHBondContact O-N 3.26Å; G310-Q313 PolarHBondContact O-N 3.48Å; G310-A314 WeakPolarHBondContact O-CB 3.46Å; G310-A314 PolarHBondContact O-N 3.07Å
311L85.7Confident81.4Confident58 Ų5833.7 Ų33.730%0.30422%0.221SC..Hα-helixtrans-63.2-39.8174-70.7172.1000111.6L292 N307 I308 A314 A315L292-L311 HydrophobicContact CD1-CD1 3.73Å; L292-L311 HydrophobicContact CD2-CD1 4.15Å; L292-L311 HydrophobicContact CG-CD1 4.04Å; N307-L311 WeakPolarHBondContact O-CG 3.37Å; N307-L311 PolarHBondContact O-N 3.1Å; I308-L311 PolarHBondContact O-N 3.01Å; L311-A314 PolarHBondContact O-N 3.2Å; L311-A315 WeakPolarHBondContact O-CB 3.32Å; L311-A315 PolarHBondContact O-N 3.32Å
312R83.8Confident80.1Confident61 Ų6138.1 Ų38.123%0.2325%0.248CC..Hα-helixtrans-61.7-46.8174.1-175.3-175.576.388.3-0.7111.6I308 E309 G310 A314 A315 L316 F341I308-R312 WeakPolarHBondContact O-CB 2.92Å; I308-R312 PolarHBondContact O-N 3.02Å; E309-R312 WeakPolarHBondContact O-CB 3.45Å; E309-R312 PolarHBondContact O-N 3.47Å; G310-R312 VanDerWaalsContact C-N 3.33Å; G310-R312 PolarHBondContact O-N 3.26Å; R312-A314 VanDerWaalsContact C-N 3.33Å; R312-A315 PolarHBondContact O-N 2.68Å; R312-L316 HydrophobicContact CG-CD1 3.96Å; R312-L316 HydrophobicContact CG-CG 4.44Å; R312-L316 WeakPolarHBondContact O-CB 3.35Å; R312-L316 VanDerWaalsContact O-CG 3.3Å; R312-L316 WeakPolarHBondContact O-CG 3.44Å; R312-L316 PolarHBondContact O-N 3.27Å; R312-F341 HydrophobicContact CB-CE2 4.17Å; R312-F341 HydrophobicContact CG-CE2 3.78Å; R312-F341 HydrophobicContact CG-CZ 3.74Å
313Q81.5Confident78.8Confident101 Ų10143.5 Ų43.547%0.47227%0.273SS..Hα-helixtrans-62.8-41.2178.4-75.3174.88.900111.1E309 G310 L316 A317E309-Q313 WeakPolarHBondContact O-CB 3.41Å; E309-Q313 VanDerWaalsContact O-CG 3.28Å; E309-Q313 WeakPolarHBondContact O-CG 3.16Å; E309-Q313 PolarHBondContact O-N 2.87Å; G310-Q313 PolarHBondContact O-N 3.48Å; Q313-L316 PolarHBondContact O-N 3.35Å; Q313-A317 VanDerWaalsContact O-CB 3.23Å; Q313-A317 WeakPolarHBondContact O-CB 3.47Å; Q313-A317 PolarHBondContact O-N 3.48Å
314A80.3Confident77.6Confident62 Ų6244 Ų4451%0.51227%0.273SS..Hα-helixtrans-63.4-44174.600000112.2G310 L311 R312 A317 S318G310-A314 WeakPolarHBondContact O-CB 3.46Å; G310-A314 PolarHBondContact O-N 3.07Å; L311-A314 PolarHBondContact O-N 3.2Å; R312-A314 VanDerWaalsContact C-N 3.33Å; A314-A317 PolarHBondContact O-N 2.88Å; A314-S318 PolarHBondContact O-N 3.4Å
315A77.5Confident76Confident6 Ų648.3 Ų48.35%0.0530%0.304CS..Hα-helixtrans-63.1-44.2176.700000111.8L311 R312 S318 L319 P338 F341L311-A315 WeakPolarHBondContact O-CB 3.32Å; L311-A315 PolarHBondContact O-N 3.32Å; R312-A315 PolarHBondContact O-N 2.68Å; A315-S318 WeakPolarHBondContact O-CB 3.4Å; A315-S318 PolarHBondContact O-N 3.35Å; A315-S318 PolarHBondContact O-OG 2.92Å; A315-L319 PolarHBondContact O-N 2.83Å; A315-P338 HydrophobicContact CB-CG 4.45Å; A315-F341 HydrophobicContact CB-CD1 4.22Å; A315-F341 HydrophobicContact CB-CD2 4.47Å; A315-F341 HydrophobicContact CB-CE1 4.3Å; A315-F341 HydrophobicContact CB-CG 4.29Å; A315-F341 HydrophobicContact CB-CZ 4.46Å
316L76.9Confident74.4Confident10 Ų1053.4 Ų53.45%0.05233%0.327CS..Hα-helixtrans-66.9-40.5177.2-75.5175.9000112.8R312 Q313 S318 L319 G320 V321 F341R312-L316 HydrophobicContact CG-CD1 3.96Å; R312-L316 HydrophobicContact CG-CG 4.44Å; R312-L316 WeakPolarHBondContact O-CB 3.35Å; R312-L316 VanDerWaalsContact O-CG 3.3Å; R312-L316 WeakPolarHBondContact O-CG 3.44Å; R312-L316 PolarHBondContact O-N 3.27Å; Q313-L316 PolarHBondContact O-N 3.35Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 3.5Å; L316-L319 CarbonylContact O-C 3.18Å; L316-L319 WeakPolarHBondContact O-CB 3.47Å; L316-L319 PolarHBondContact O-N 3.3Å; L316-G320 PolarHBondContact O-N 2.66Å; L316-V321 WeakPolarHBondContact CB-O 3.15Å; L316-V321 PolarHBondContact O-N 2.97Å; L316-F341 HydrophobicContact CD2-CE1 4.47Å
317A75.3Confident72.9Confident63 Ų6353.9 Ų53.952%0.52133%0.328SS..Hα-helixtrans-60.8-36.6173.600000111.6Q313 A314 L319 G320Q313-A317 VanDerWaalsContact O-CB 3.23Å; Q313-A317 WeakPolarHBondContact O-CB 3.47Å; Q313-A317 PolarHBondContact O-N 3.48Å; A314-A317 PolarHBondContact O-N 2.88Å; A317-L319 PolarHBondContact O-N 2.94Å; A317-G320 PolarHBondContact O-N 2.64Å; A317-G320 VanDerWaalsContact O-N 3.16Å
318S69.9Low71.1Confident48 Ų4858.8 Ų58.834%0.33635%0.354SS..Hα-helixtrans-65.2-26.8175.382.60000113.4A314 A315 L316A314-S318 PolarHBondContact O-N 3.4Å; A315-S318 WeakPolarHBondContact O-CB 3.4Å; A315-S318 PolarHBondContact O-N 3.35Å; A315-S318 PolarHBondContact O-OG 2.92Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 3.5Å
319L63.9Low69.3Low17 Ų1763.4 Ų63.49%0.08939%0.388CS..Hα-helixtrans-87.3-18.8175.8-72.1165.8000112.8A315 L316 A317 V321 I327 A332 C337A315-L319 PolarHBondContact O-N 2.83Å; L316-L319 CarbonylContact O-C 3.18Å; L316-L319 WeakPolarHBondContact O-CB 3.47Å; L316-L319 PolarHBondContact O-N 3.3Å; A317-L319 PolarHBondContact O-N 2.94Å; L319-V321 HydrophobicContact CB-CB 4.14Å; L319-V321 HydrophobicContact CB-CG2 4.19Å; L319-I327 HydrophobicContact CD1-CD1 4.36Å; L319-A332 HydrophobicContact CD2-CB 3.7Å; L319-C337 HydrophobicContact CD1-CB 4.09Å; L319-C337 HydrophobicContact CD2-CB 3.87Å; L319-C337 HydrophobicContact CG-CB 3.94Å
320G65.4Low67.5Low71 Ų7173.7 Ų73.773%0.73243%0.426SS*.THydrogen-bonded Turntrans68.924.6-171.100000113L316 A317L316-G320 PolarHBondContact O-N 2.66Å; A317-G320 PolarHBondContact O-N 2.64Å; A317-G320 VanDerWaalsContact O-N 3.16Å
321V64.7Low65.5Low33 Ų3382.8 Ų82.820%0.245%0.45CS..  trans-122.9141.9-171.4171.60000109.3L316 L319 Q323 E326L316-V321 WeakPolarHBondContact CB-O 3.15Å; L316-V321 PolarHBondContact O-N 2.97Å; L319-V321 HydrophobicContact CB-CB 4.14Å; L319-V321 HydrophobicContact CB-CG2 4.19Å; V321-Q323 WeakPolarHBondContact CG1-O 3.39Å; V321-E326 HydrophobicContact CG1-CB 3.74Å
322T60.8Low63.6Low95 Ų9581 Ų8158%0.58344%0.444SS*.SBendtrans-87-28.4-178.445.60000114.1
323Q60.5Low61.8Low116 Ų11682.2 Ų82.254%0.54247%0.467SS..SBendtrans-138.6143.9-178.8-63.5-170.51100111.4V321 S325 E326V321-Q323 WeakPolarHBondContact CG1-O 3.39Å; Q323-S325 WeakPolarHBondContact CB-OG 3.48Å; Q323-S325 PolarHBondContact O-N 3.04Å; Q323-S325 PolarHBondContact OE1-OG 2.67Å; Q323-E326 PolarHBondContact O-N 3.24Å; Q323-E326 VanDerWaalsContact O-N 3.16Å
324K60.7Low60.3Low55 Ų5582.7 Ų82.724%0.23948%0.481CS..G310 helixtrans-55.1-27.3175.8-78.3-174.2169.5-170.90113.3E326 I327 F341 D347K324-E326 PolarHBondContact O-N 3.31Å; K324-I327 HydrophobicContact CB-CD1 4.11Å; K324-I327 HydrophobicContact CG-CD1 4.21Å; K324-I327 VanDerWaalsContact O-CB 3.32Å; K324-I327 WeakPolarHBondContact O-CB 3.4Å; K324-I327 WeakPolarHBondContact O-CD1 3.31Å; K324-I327 WeakPolarHBondContact O-CG1 3.47Å; K324-I327 PolarHBondContact O-N 2.8Å; K324-F341 HydrophobicContact CD-CE1 4.04Å; K324-F341 HydrophobicContact CD-CZ 4.07Å; K324-F341 WeakPolarHBondContact CE-O 3.28Å; K324-F341 HydrophobicContact CG-CE1 3.83Å; K324-F341 HydrophobicContact CG-CZ 4.04Å; K324-F341 PolarHBondContact NZ-O 2.88Å; K324-D347 VanDerWaalsContact NZ-CG 3.25Å; K324-D347 IonicContact NZ-OD1 3.51Å; K324-D347 PolarHBondContact NZ-OD1 3.25Å; K324-D347 IonicContact NZ-OD2 2.68Å; K324-D347 PolarHBondContact NZ-OD2 2.92Å
325S56.4Low59Low92 Ų9288 Ų8864%0.64349%0.488SS*.G310 helixtrans-63.7-20.7-179.448.90000114.2Q323 I327Q323-S325 WeakPolarHBondContact CB-OG 3.48Å; Q323-S325 PolarHBondContact O-N 3.04Å; Q323-S325 PolarHBondContact OE1-OG 2.67Å; S325-I327 VanDerWaalsContact C-N 3.28Å; S325-I327 PolarHBondContact O-N 3.27Å
326E57.6Low58.3Low106 Ų10689.2 Ų89.250%0.49550%0.501SS..G310 helixtrans-86.63179.1-64.6173.8176.500112.9V321 Q323 K324 N328V321-E326 HydrophobicContact CG1-CB 3.74Å; Q323-E326 PolarHBondContact O-N 3.24Å; Q323-E326 VanDerWaalsContact O-N 3.16Å; K324-E326 PolarHBondContact O-N 3.31Å; E326-N328 PolarHBondContact O-N 3.11Å
327I58.2Low57.8Low47 Ų4789.3 Ų89.324%0.24150%0.502CS..  trans-75.184.9-178.6-60170.2000110L319 K324 S325 S329 A332 L342L319-I327 HydrophobicContact CD1-CD1 4.36Å; K324-I327 HydrophobicContact CB-CD1 4.11Å; K324-I327 HydrophobicContact CG-CD1 4.21Å; K324-I327 VanDerWaalsContact O-CB 3.32Å; K324-I327 WeakPolarHBondContact O-CB 3.4Å; K324-I327 WeakPolarHBondContact O-CD1 3.31Å; K324-I327 WeakPolarHBondContact O-CG1 3.47Å; K324-I327 PolarHBondContact O-N 2.8Å; S325-I327 VanDerWaalsContact C-N 3.28Å; S325-I327 PolarHBondContact O-N 3.27Å; I327-S329 VanDerWaalsContact C-N 3.35Å; I327-S329 PolarHBondContact O-N 2.99Å; I327-A332 HydrophobicContact CG2-CB 3.75Å; I327-L342 HydrophobicContact CD1-CD2 4.02Å
328N51Low57.7Low141 Ų14187.1 Ų87.175%0.75448%0.483SS*.  trans-76.286.6170-79.2-28.9000111.5E326 R330E326-N328 PolarHBondContact O-N 3.11Å; N328-R330 PolarHBondContact O-N 3.42Å
329S51.2Low57.9Low108 Ų10887.2 Ų87.276%0.75548%0.484SS*.THydrogen-bonded Turntrans41.5-17.7150.367.90000124.4I327I327-S329 VanDerWaalsContact C-N 3.35Å; I327-S329 PolarHBondContact O-N 2.99Å
330R48.5Very low58.8Low223 Ų22387.3 Ų87.384%0.84248%0.483SS*.THydrogen-bonded Turntrans-143.7-21.1178.6-66.8-172.4-174.21692.8117.6N328N328-R330 PolarHBondContact O-N 3.42Å
331R45.8Very low59.6Low225 Ų22584.6 Ų84.685%0.84945%0.451SS*.SBendtrans-91.8-20-177.6-72.2-178.9-179.8169.30.3114.3
332A45.4Very low60.4Low22 Ų2287.2 Ų87.218%0.18246%0.463CS..G310 helixtrans-72.3-35.1-177.800000113.6L319 I327 S334 R335L319-A332 HydrophobicContact CD2-CB 3.7Å; I327-A332 HydrophobicContact CG2-CB 3.75Å; A332-S334 PolarHBondContact O-N 3.38Å; A332-R335 PolarHBondContact O-N 3.33Å
333A46.4Very low61.6Low86 Ų8685.2 Ų85.271%0.71145%0.448SS*.G310 helixtrans-64.4-22.6-178.100000113.8
334S49Very low63Low110 Ų11085.9 Ų85.977%0.76946%0.455SS*.G310 helixtrans-82.1-18.8-179.2-173.60000113.2A332A332-S334 PolarHBondContact O-N 3.38Å
335R53.9Low64.4Low174 Ų17486.4 Ų86.466%0.65746%0.458SS*.THydrogen-bonded Turntrans-110.396.1-175-69.8-173.7178.7173.8-1.2111.1A332 C337A332-R335 PolarHBondContact O-N 3.33Å; R335-C337 PolarHBondContact O-N 3Å
336G62.6Low66Low32 Ų3282.4 Ų82.433%0.3343%0.431SS..THydrogen-bonded Turntrans64.3-18.5150.400000119.8R281R281-G336 WeakPolarHBondContact CD-O 3.46Å; R281-G336 VanDerWaalsContact CZ-O 3.25Å; R281-G336 PolarHBondContact NE-O 3.49Å; R281-G336 VanDerWaalsContact NE-O 3.1Å; R281-G336 VanDerWaalsContact NH1-C 3.27Å; R281-G336 PolarHBondContact NH1-O 3.37Å
337C66.6Low67.5Low11 Ų1180.7 Ų80.77%0.07443%0.425CS..  trans-71.3140.9-170.4-171.60000111.3R281 L319 R335 S339R281-C337 PolarHBondContact NH1-O 2.95Å; L319-C337 HydrophobicContact CD1-CB 4.09Å; L319-C337 HydrophobicContact CD2-CB 3.87Å; L319-C337 HydrophobicContact CG-CB 3.94Å; R335-C337 PolarHBondContact O-N 3Å; C337-S339 PolarHBondContact O-N 3.49Å
338P72.8Confident69.2Low18 Ų1885.4 Ų85.412%0.11744%0.44CS..  trans-61.1132.9168.2-20.932.5000111A315 W340 F341A315-P338 HydrophobicContact CB-CG 4.45Å; P338-W340 VanDerWaalsContact C-N 3.33Å; P338-W340 HydrophobicContact CB-CG 4.37Å; P338-W340 PolarHBondContact O-N 3.38Å; P338-F341 HydrophobicContact CB-CB 4.22Å; P338-F341 WeakPolarHBondContact O-CB 3.17Å; P338-F341 PolarHBondContact O-N 3.24Å
339S75.4Confident71.2Confident50 Ų5078.8 Ų78.835%0.3540%0.404SS..SBendtrans-60.4-44.4178.6176.60000111.1E237 C337 F341 L342E237-S339 WeakPolarHBondContact OE2-CB 3.42Å; E237-S339 PolarHBondContact OE2-OG 2.86Å; C337-S339 PolarHBondContact O-N 3.49Å; S339-F341 PolarHBondContact O-N 3.5Å; S339-L342 PolarHBondContact O-N 3.5Å; S339-L342 VanDerWaalsContact O-N 3.13Å
340W82.1Confident73.1Confident19 Ų1974.7 Ų74.77%0.07237%0.374CS..G310 helixtrans-63.5-25.2-17873.8-97.6000113.6L230 D285 L289 P338 L342 M343 A346L230-W340 HydrophobicContact CD1-CE3 3.7Å; L230-W340 HydrophobicContact CD1-CZ3 3.93Å; L230-W340 HydrophobicContact CD2-CB 4.06Å; L230-W340 HydrophobicContact CD2-CE3 4.05Å; L230-W340 HydrophobicContact CG-CE3 4.32Å; D285-W340 PolarHBondContact OD1-NE1 3.46Å; L289-W340 HydrophobicContact CD2-CD2 4.26Å; L289-W340 HydrophobicContact CD2-CE3 4.21Å; L289-W340 HydrophobicContact CD2-CH2 4.01Å; L289-W340 HydrophobicContact CD2-CZ2 4.07Å; L289-W340 HydrophobicContact CD2-CZ3 4.09Å; P338-W340 VanDerWaalsContact C-N 3.33Å; P338-W340 HydrophobicContact CB-CG 4.37Å; P338-W340 PolarHBondContact O-N 3.38Å; W340-L342 PolarHBondContact O-N 3.4Å; W340-M343 HydrophobicContact CB-SD 4.31Å; W340-M343 WeakPolarHBondContact O-CB 3.43Å; W340-M343 PolarHBondContact O-N 3.25Å; W340-A346 HydrophobicContact CE3-CB 4.08Å; W340-A346 HydrophobicContact CZ3-CB 4.11Å; W340-A346 WeakPolarHBondContact O-CB 3Å
341F82.7Confident75.2Confident13 Ų1366.5 Ų66.56%0.05735%0.354CS..G310 helixtrans-66.4-24.3178.6-179.3-108.9000112.8R312 A315 L316 K324 P338 S339 M343R312-F341 HydrophobicContact CB-CE2 4.17Å; R312-F341 HydrophobicContact CG-CE2 3.78Å; R312-F341 HydrophobicContact CG-CZ 3.74Å; A315-F341 HydrophobicContact CB-CD1 4.22Å; A315-F341 HydrophobicContact CB-CD2 4.47Å; A315-F341 HydrophobicContact CB-CE1 4.3Å; A315-F341 HydrophobicContact CB-CG 4.29Å; A315-F341 HydrophobicContact CB-CZ 4.46Å; L316-F341 HydrophobicContact CD2-CE1 4.47Å; K324-F341 HydrophobicContact CD-CE1 4.04Å; K324-F341 HydrophobicContact CD-CZ 4.07Å; K324-F341 WeakPolarHBondContact CE-O 3.28Å; K324-F341 HydrophobicContact CG-CE1 3.83Å; K324-F341 HydrophobicContact CG-CZ 4.04Å; K324-F341 PolarHBondContact NZ-O 2.88Å; P338-F341 HydrophobicContact CB-CB 4.22Å; P338-F341 WeakPolarHBondContact O-CB 3.17Å; P338-F341 PolarHBondContact O-N 3.24Å; S339-F341 PolarHBondContact O-N 3.5Å; F341-M343 VanDerWaalsContact C-N 3.34Å
342L80.9Confident77.4Confident89 Ų8956.1 Ų56.147%0.46632%0.316SS..G310 helixtrans-86.4-5.4178.8-62.2172.6000113I327 S339 W340I327-L342 HydrophobicContact CD1-CD2 4.02Å; S339-L342 PolarHBondContact O-N 3.5Å; S339-L342 VanDerWaalsContact O-N 3.13Å; W340-L342 PolarHBondContact O-N 3.4Å
343M86.6Confident79.6Confident53 Ų5355.1 Ų55.126%0.26131%0.307SS..SBendtrans-79.5145.8178.5-61177.165.100111.1L230 A233 W340 F341 Q345 A346L230-M343 HydrophobicContact CD2-CB 4.04Å; L230-M343 HydrophobicContact CD2-CE 4.35Å; L230-M343 HydrophobicContact CD2-CG 4.47Å; L230-M343 HydrophobicContact CD2-SD 3.83Å; A233-M343 HydrophobicContact CB-CE 3.78Å; A233-M343 HydrophobicContact CB-SD 3.89Å; W340-M343 HydrophobicContact CB-SD 4.31Å; W340-M343 WeakPolarHBondContact O-CB 3.43Å; W340-M343 PolarHBondContact O-N 3.25Å; F341-M343 VanDerWaalsContact C-N 3.34Å; M343-Q345 PolarHBondContact O-N 2.97Å; M343-Q345 VanDerWaalsContact O-N 3.15Å; M343-A346 WeakPolarHBondContact O-CB 3.47Å; M343-A346 PolarHBondContact O-N 3.01Å
344D88.5Confident81.7Confident130 Ų13053.2 Ų53.270%0.69528%0.282SS*.Hα-helixtrans-58.2-30.5178.2-61.7-20.3000112.4A346 D347 R348D344-A346 PolarHBondContact O-N 3.44Å; D344-D347 PolarHBondContact O-N 2.72Å; D344-D347 VanDerWaalsContact O-N 3.15Å; D344-R348 PolarHBondContact O-N 3.39Å
345Q91.3Very high83.7Confident66 Ų6651.1 Ų51.131%0.30827%0.267SS..Hα-helixtrans-60.3-32.4175.2-69.478.51.300112.1D229 L230 M343 L349D229-Q345 HydrophobicContact CB-CG 4.28Å; L230-Q345 HydrophobicContact CD2-CB 3.85Å; L230-Q345 HydrophobicContact CG-CB 4.08Å; M343-Q345 PolarHBondContact O-N 2.97Å; M343-Q345 VanDerWaalsContact O-N 3.15Å; Q345-L349 WeakPolarHBondContact O-CB 3.32Å; Q345-L349 PolarHBondContact O-N 2.89Å
346A89.3Confident85.3Confident7 Ų743.3 Ų43.36%0.05824%0.238CC..Hα-helixtrans-71.9-34.7176.800000112L230 W340 M343 D344 L349 L350L230-A346 HydrophobicContact CD1-CB 4.44Å; L230-A346 HydrophobicContact CD2-CB 4.46Å; W340-A346 HydrophobicContact CE3-CB 4.08Å; W340-A346 HydrophobicContact CZ3-CB 4.11Å; W340-A346 WeakPolarHBondContact O-CB 3Å; M343-A346 WeakPolarHBondContact O-CB 3.47Å; M343-A346 PolarHBondContact O-N 3.01Å; D344-A346 PolarHBondContact O-N 3.44Å; A346-L349 WeakPolarHBondContact O-CB 3.34Å; A346-L350 WeakPolarHBondContact O-CB 3.23Å; A346-L350 PolarHBondContact O-N 3.46Å; A346-L350 VanDerWaalsContact O-N 3.1Å
347D90Very high86.5Confident70 Ų7041.8 Ų41.837%0.37422%0.222SC..Hα-helixtrans-71.5-38.8175-72.3-38.9000111.4K324 D344 L350 A351K324-D347 VanDerWaalsContact NZ-CG 3.25Å; K324-D347 IonicContact NZ-OD1 3.51Å; K324-D347 PolarHBondContact NZ-OD1 3.25Å; K324-D347 IonicContact NZ-OD2 2.68Å; K324-D347 PolarHBondContact NZ-OD2 2.92Å; D344-D347 PolarHBondContact O-N 2.72Å; D344-D347 VanDerWaalsContact O-N 3.15Å; D347-L350 PolarHBondContact O-N 3.32Å; D347-A351 WeakPolarHBondContact O-CB 3.13Å; D347-A351 PolarHBondContact O-N 3.28Å
348R93.1Very high87.4Confident147 Ų14741.5 Ų41.556%0.55522%0.219SC*.Hα-helixtrans-62.7-44.1172.2-170.3175.1-177179.70112.2I222 D344 L350 A351 S352I222-R348 HydrophobicContact CG2-CG 4.01Å; D344-R348 PolarHBondContact O-N 3.39Å; R348-L350 VanDerWaalsContact C-N 3.31Å; R348-L350 PolarHBondContact O-N 3.25Å; R348-A351 PolarHBondContact O-N 3.48Å; R348-S352 PolarHBondContact O-N 2.94Å
349L93.3Very high87.7Confident2 Ų244.1 Ų44.11%0.0124%0.243CC..Hα-helixtrans-54.3-49174.5-179.183.8000111.1C223 C226 I227 I308 Q345 A346 S352 A353C223-L349 HydrophobicContact CB-CD1 4.23Å; C226-L349 HydrophobicContact CB-CB 4.09Å; C226-L349 HydrophobicContact CB-CD1 3.99Å; I227-L349 HydrophobicContact CD1-CD1 4.05Å; I227-L349 HydrophobicContact CG1-CD1 3.53Å; I308-L349 HydrophobicContact CD1-CD2 4.01Å; I308-L349 HydrophobicContact CD1-CG 4.19Å; Q345-L349 WeakPolarHBondContact O-CB 3.32Å; Q345-L349 PolarHBondContact O-N 2.89Å; A346-L349 WeakPolarHBondContact O-CB 3.34Å; L349-S352 PolarHBondContact O-N 3.26Å; L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.38Å; L349-A353 PolarHBondContact O-N 3.45Å
350L91.1Very high87.8Confident21 Ų2144.1 Ų44.111%0.1124%0.239CC..Hα-helixtrans-69.7-38.2-177.4178.1142000112.2I308 A346 D347 R348 A353 R354I308-L350 HydrophobicContact CG2-CD1 4.38Å; A346-L350 WeakPolarHBondContact O-CB 3.23Å; A346-L350 PolarHBondContact O-N 3.46Å; A346-L350 VanDerWaalsContact O-N 3.1Å; D347-L350 PolarHBondContact O-N 3.32Å; R348-L350 VanDerWaalsContact C-N 3.31Å; R348-L350 PolarHBondContact O-N 3.25Å; L350-A353 PolarHBondContact O-N 3.03Å; L350-R354 VanDerWaalsContact CD2-CZ 3.45Å; L350-R354 WeakPolarHBondContact O-CG 3.36Å; L350-R354 PolarHBondContact O-N 3.39Å
351A91.6Very high87.4Confident51 Ų5146.7 Ų46.742%0.42125%0.249SC..Hα-helixtrans-60.2-50.6173.200000111.1D347 R348 A353 R354 S355D347-A351 WeakPolarHBondContact O-CB 3.13Å; D347-A351 PolarHBondContact O-N 3.28Å; R348-A351 PolarHBondContact O-N 3.48Å; A351-A353 PolarHBondContact O-N 2.97Å; A351-R354 PolarHBondContact O-N 2.98Å; A351-S355 PolarHBondContact O-N 3.26Å; A351-S355 PolarHBondContact O-OG 3.28Å; A351-S355 VanDerWaalsContact O-OG 3.11Å
352S92.4Very high86.9Confident8 Ų850.7 Ų50.76%0.05628%0.279CS..Hα-helixtrans-61.3-44.7175.9-79.40000111.9E219 I222 R348 L349 R354 S355 R356E219-S352 WeakPolarHBondContact OE2-CA 3.47Å; E219-S352 WeakPolarHBondContact OE2-CB 3.3Å; E219-S352 PolarHBondContact OE2-OG 2.98Å; I222-S352 WeakPolarHBondContact CG2-OG 3.47Å; R348-S352 PolarHBondContact O-N 2.94Å; L349-S352 PolarHBondContact O-N 3.26Å; S352-R354 PolarHBondContact O-N 2.93Å; S352-S355 WeakPolarHBondContact O-CB 3.25Å; S352-S355 PolarHBondContact O-N 3.42Å; S352-S355 VanDerWaalsContact O-N 3.11Å; S352-R356 WeakPolarHBondContact O-CG 3.39Å; S352-R356 PolarHBondContact O-N 2.91Å; S352-R356 VanDerWaalsContact O-N 3.14Å
353A91.6Very high86.4Confident0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-57.6-36.617700000112.9F304 L305 I308 L349 L350 A351F304-A353 HydrophobicContact CD1-CB 4.12Å; F304-A353 HydrophobicContact CE1-CB 3.8Å; L305-A353 HydrophobicContact CD1-CB 4.11Å; I308-A353 HydrophobicContact CD1-CB 3.93Å; L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.38Å; L349-A353 PolarHBondContact O-N 3.45Å; L350-A353 PolarHBondContact O-N 3.03Å; A351-A353 PolarHBondContact O-N 2.97Å
354R90.4Very high85.7Confident47 Ų4755.3 Ų55.318%0.17729%0.293CS..Hα-helixtrans-71.2-42.1175.1-74.6173.4173.8178.3-6.7112.2L305 E309 L350 A351 S352 R356 V357 Y358 Y361L305-R354 HydrophobicContact CD1-CG 3.93Å; E309-R354 IonicContact OE1-CZ 3.05Å; E309-R354 IonicContact OE1-NE 3.7Å; E309-R354 PolarHBondContact OE1-NE 3.26Å; E309-R354 IonicContact OE1-NH2 3.64Å; E309-R354 PolarHBondContact OE1-NH2 3.39Å; L350-R354 VanDerWaalsContact CD2-CZ 3.45Å; L350-R354 WeakPolarHBondContact O-CG 3.36Å; L350-R354 PolarHBondContact O-N 3.39Å; A351-R354 PolarHBondContact O-N 2.98Å; S352-R354 PolarHBondContact O-N 2.93Å; R354-R356 PolarHBondContact O-N 3.44Å; R354-V357 PolarHBondContact O-N 2.95Å; R354-Y358 PolarHBondContact O-N 2.77Å; R354-Y361 HydrophobicContact CB-CD2 4.34Å; R354-Y361 HydrophobicContact CG-CD2 4.22Å; R354-Y361 HydrophobicContact CG-CE2 4.27Å; R354-Y361 PolarHBondContact NH2-OH 3.26Å
355S90.4Very high85.1Confident66 Ų6653.8 Ų53.846%0.46229%0.285SS..Hα-helixtrans-58.7-27.8176-600000113A351 S352 V357A351-S355 PolarHBondContact O-N 3.26Å; A351-S355 PolarHBondContact O-OG 3.28Å; A351-S355 VanDerWaalsContact O-OG 3.11Å; S352-S355 WeakPolarHBondContact O-CB 3.25Å; S352-S355 PolarHBondContact O-N 3.42Å; S352-S355 VanDerWaalsContact O-N 3.11Å; S355-V357 VanDerWaalsContact C-N 3.28Å; S355-V357 PolarHBondContact O-N 2.72Å
356R89Confident84.5Confident9 Ų953.1 Ų53.13%0.03428%0.283CS..THydrogen-bonded Turntrans-69.7-21174.9-60.5179.570-158.72.9114E219 A301 S352 R354 E369E219-R356 HydrophobicContact CB-CG 3.68Å; E219-R356 HydrophobicContact CG-CG 4.33Å; A301-R356 HydrophobicContact CB-CB 4.06Å; S352-R356 WeakPolarHBondContact O-CG 3.39Å; S352-R356 PolarHBondContact O-N 2.91Å; S352-R356 VanDerWaalsContact O-N 3.14Å; R354-R356 PolarHBondContact O-N 3.44Å; R356-E369 HydrophobicContact CB-CB 4.3Å; R356-E369 VanDerWaalsContact CB-OE2 3.31Å; R356-E369 WeakPolarHBondContact CB-OE2 3.46Å; R356-E369 WeakPolarHBondContact CD-OE2 3.48Å; R356-E369 WeakPolarHBondContact CG-OE2 3.48Å; R356-E369 IonicContact CZ-OE2 3.44Å; R356-E369 IonicContact NE-OE2 3.22Å; R356-E369 PolarHBondContact NE-OE2 3.16Å; R356-E369 IonicContact NH2-OE1 3.23Å; R356-E369 IonicContact NH2-OE2 2.8Å; R356-E369 WeakPolarHBondContact O-CB 3.44Å; R356-E369 PolarHBondContact O-N 3.19Å
357V86.5Confident84.1Confident0 Ų057.1 Ų57.10%030%0.304CS..THydrogen-bonded Turntrans-112.1-35.9-176.3178.30000111.6A301 V302 L305 R354 S355 L366 N367 V368A301-V357 HydrophobicContact CB-CG2 4.2Å; V302-V357 HydrophobicContact CG2-CG1 4.45Å; V302-V357 HydrophobicContact CG2-CG2 4.33Å; L305-V357 HydrophobicContact CB-CG2 4.16Å; L305-V357 HydrophobicContact CD2-CB 3.95Å; L305-V357 HydrophobicContact CD2-CG1 4.19Å; L305-V357 HydrophobicContact CD2-CG2 3.78Å; R354-V357 PolarHBondContact O-N 2.95Å; S355-V357 VanDerWaalsContact C-N 3.28Å; S355-V357 PolarHBondContact O-N 2.72Å; V357-L366 HydrophobicContact CG1-CD2 4.4Å; V357-N367 CarbonylContact C-O 3.58Å; V357-N367 CarbonylContact O-C 3.18Å; V357-N367 PolarHBondContact O-N 2.99Å; V357-V368 HydrophobicContact CG1-CG2 4.45Å
358Y85.4Confident83.8Confident5 Ų554.1 Ų54.12%0.0229%0.288CS..EExtended strand (participates in β ladder)trans-117.1130.3-175.7-58.4-78.1000110.4L305 R354 Y361 L365 L366 E433 L434L305-Y358 HydrophobicContact CD2-CD2 4.49Å; L305-Y358 HydrophobicContact CD2-CE2 3.9Å; R354-Y358 PolarHBondContact O-N 2.77Å; Y358-Y361 AromaticContact CD2-CD2 3.55Å; Y358-Y361 HydrophobicContact CD2-CD2 3.55Å; Y358-Y361 HydrophobicContact CD2-CE2 4.09Å; Y358-Y361 AromaticContact CE2-CD2 3.8Å; Y358-Y361 HydrophobicContact CE2-CD2 3.8Å; Y358-Y361 AromaticContact CE2-CE2 3.84Å; Y358-Y361 HydrophobicContact CE2-CE2 3.84Å; Y358-Y361 HydrophobicContact CG-CD2 4.04Å; Y358-L365 CarbonylContact C-O 3.54Å; Y358-L365 VanDerWaalsContact CA-O 3.31Å; Y358-L365 WeakPolarHBondContact CA-O 3.27Å; Y358-L366 HydrophobicContact CD1-CD2 3.72Å; Y358-L366 HydrophobicContact CE1-CD2 3.46Å; Y358-L366 VanDerWaalsContact CE1-CD2 3.46Å; Y358-L366 HydrophobicContact CE1-CG 4.47Å; Y358-E433 PolarHBondContact OH-OE2 3.4Å; Y358-L434 HydrophobicContact CE1-CD2 4.05Å
359A80.6Confident83.4Confident74 Ų7448.9 Ų48.961%0.61227%0.27SS*.EExtended strand (participates in β ladder)trans-70-39.1170.600000111.3L365 N367A359-L365 HydrophobicContact CB-CB 4.45Å; A359-L365 PolarHBondContact N-O 3.16Å; A359-N367 HydrophobicContact CB-CB 3.94Å
360D76Confident83.1Confident49 Ų4950 Ų5026%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-139.6108.3171.9-174.5-10.8000107.5S362 K363 K364 L365D360-S362 VanDerWaalsContact CG-OG 3.3Å; D360-S362 PolarHBondContact O-N 3.36Å; D360-S362 WeakPolarHBondContact OD1-CB 3.41Å; D360-S362 PolarHBondContact OD1-N 3.04Å; D360-S362 PolarHBondContact OD1-OG 3.05Å; D360-S362 PolarHBondContact OD2-OG 3.18Å; D360-K363 HydrophobicContact CB-CB 4.2Å; D360-K363 PolarHBondContact O-N 3.19Å; D360-K363 WeakPolarHBondContact OD2-CD 3.47Å; D360-K363 VanDerWaalsContact OD2-CE 3.27Å; D360-K363 WeakPolarHBondContact OD2-CE 3.48Å; D360-K363 VanDerWaalsContact OD2-CG 3.29Å; D360-K363 WeakPolarHBondContact OD2-CG 3.46Å; D360-K363 IonicContact OD2-NZ 3.51Å; D360-K364 PolarHBondContact O-N 3.33Å; D360-L365 HydrophobicContact CB-CD1 4.38Å; D360-L365 PolarHBondContact O-N 3.24Å; D360-L365 VanDerWaalsContact O-N 3.14Å
361Y73.6Confident82.9Confident73 Ų7349.7 Ų49.729%0.28628%0.275SS..THydrogen-bonded Turntrans-62.7-34-179.4-174.7-108.9000111.3R354 Y358 K364 E433R354-Y361 HydrophobicContact CB-CD2 4.34Å; R354-Y361 HydrophobicContact CG-CD2 4.22Å; R354-Y361 HydrophobicContact CG-CE2 4.27Å; R354-Y361 PolarHBondContact NH2-OH 3.26Å; Y358-Y361 AromaticContact CD2-CD2 3.55Å; Y358-Y361 HydrophobicContact CD2-CD2 3.55Å; Y358-Y361 HydrophobicContact CD2-CE2 4.09Å; Y358-Y361 AromaticContact CE2-CD2 3.8Å; Y358-Y361 HydrophobicContact CE2-CD2 3.8Å; Y358-Y361 AromaticContact CE2-CE2 3.84Å; Y358-Y361 HydrophobicContact CE2-CE2 3.84Å; Y358-Y361 HydrophobicContact CG-CD2 4.04Å; Y361-K364 PolarHBondContact O-N 3.33Å; Y361-E433 VanDerWaalsContact CE2-OE2 3.26Å; Y361-E433 WeakPolarHBondContact CE2-OE2 3.45Å; Y361-E433 PolarHBondContact OH-OE1 3.04Å; Y361-E433 PolarHBondContact OH-OE2 3.33Å
362S72.8Confident82.8Confident98 Ų9848.1 Ų48.169%0.68526%0.261SS*.THydrogen-bonded Turntrans-67-40.3-179.472.40000112.1D360 K364D360-S362 VanDerWaalsContact CG-OG 3.3Å; D360-S362 PolarHBondContact O-N 3.36Å; D360-S362 WeakPolarHBondContact OD1-CB 3.41Å; D360-S362 PolarHBondContact OD1-N 3.04Å; D360-S362 PolarHBondContact OD1-OG 3.05Å; D360-S362 PolarHBondContact OD2-OG 3.18Å; S362-K364 VanDerWaalsContact C-N 3.34Å
363K71.7Confident82.7Confident148 Ų14847.9 Ų47.964%0.64326%0.258SS*.THydrogen-bonded Turntrans-87.3-2.6177.1-63.2178.6-168.7166.30113.5D360 L365D360-K363 HydrophobicContact CB-CB 4.2Å; D360-K363 PolarHBondContact O-N 3.19Å; D360-K363 WeakPolarHBondContact OD2-CD 3.47Å; D360-K363 VanDerWaalsContact OD2-CE 3.27Å; D360-K363 WeakPolarHBondContact OD2-CE 3.48Å; D360-K363 VanDerWaalsContact OD2-CG 3.29Å; D360-K363 WeakPolarHBondContact OD2-CG 3.46Å; D360-K363 IonicContact OD2-NZ 3.51Å; K363-L365 HydrophobicContact CB-CD1 3.93Å; K363-L365 HydrophobicContact CB-CG 3.92Å; K363-L365 HydrophobicContact CD-CD1 4.06Å; K363-L365 PolarHBondContact O-N 3.45Å
364K71.1Confident82.6Confident90 Ų9048.2 Ų48.239%0.39126%0.26SS..THydrogen-bonded Turntrans51.237.4-174.8-57.8-178.4179.1178.80112.5D360 Y361 S362 L366 H437D360-K364 PolarHBondContact O-N 3.33Å; Y361-K364 PolarHBondContact O-N 3.33Å; S362-K364 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 2.9Å; K364-H437 PolarHBondContact O-NE2 2.67Å
365L77Confident82.5Confident98 Ų9851.1 Ų51.151%0.51327%0.273SS..EExtended strand (participates in β ladder)trans-80.1116.3177.4-74.9168.2000109.4Y358 A359 D360 K363Y358-L365 CarbonylContact C-O 3.54Å; Y358-L365 VanDerWaalsContact CA-O 3.31Å; Y358-L365 WeakPolarHBondContact CA-O 3.27Å; A359-L365 HydrophobicContact CB-CB 4.45Å; A359-L365 PolarHBondContact N-O 3.16Å; D360-L365 HydrophobicContact CB-CD1 4.38Å; D360-L365 PolarHBondContact O-N 3.24Å; D360-L365 VanDerWaalsContact O-N 3.14Å; K363-L365 HydrophobicContact CB-CD1 3.93Å; K363-L365 HydrophobicContact CB-CG 3.92Å; K363-L365 HydrophobicContact CD-CD1 4.06Å; K363-L365 PolarHBondContact O-N 3.45Å
366L78Confident82.5Confident52 Ų5248.5 Ų48.527%0.27226%0.256SS..EExtended strand (participates in β ladder)trans-80.5122.5-175.3-69.3168.5000111.7V357 Y358 K364 V426 L434 H437V357-L366 HydrophobicContact CG1-CD2 4.4Å; Y358-L366 HydrophobicContact CD1-CD2 3.72Å; Y358-L366 HydrophobicContact CE1-CD2 3.46Å; Y358-L366 VanDerWaalsContact CE1-CD2 3.46Å; Y358-L366 HydrophobicContact CE1-CG 4.47Å; K364-L366 PolarHBondContact O-N 2.9Å; L366-V426 HydrophobicContact CD1-CG1 4.14Å; L366-V426 HydrophobicContact CD1-CG2 4.37Å; L366-L434 HydrophobicContact CD1-CD2 4.14Å; L366-L434 HydrophobicContact CD2-CD2 3.25Å; L366-L434 HydrophobicContact CG-CD2 4.29Å; L366-H437 HydrophobicContact CD1-CB 4.06Å
367N81.1Confident82.6Confident92 Ų9248.1 Ų48.149%0.49226%0.255SS..  trans-140.585.3165.8-174.121.7000109V357 A359 E369V357-N367 CarbonylContact C-O 3.58Å; V357-N367 CarbonylContact O-C 3.18Å; V357-N367 PolarHBondContact O-N 2.99Å; A359-N367 HydrophobicContact CB-CB 3.94Å; N367-E369 PolarHBondContact O-N 3.48Å
368V83.5Confident82.7Confident7 Ų748.9 Ų48.94%0.04226%0.26CS..PPolyproline II helixtrans-69.8119.7-179.5-175.10000109.6V302 V357 K422 L425 V426V302-V368 HydrophobicContact CG2-CG1 3.77Å; V302-V368 HydrophobicContact CG2-CG2 4.19Å; V357-V368 HydrophobicContact CG1-CG2 4.45Å; V368-K422 VanDerWaalsContact O-CE 3.22Å; V368-K422 WeakPolarHBondContact O-CE 3.34Å; V368-L425 HydrophobicContact CG1-CD1 4.18Å; V368-V426 HydrophobicContact CG2-CG2 3.96Å
369E85.2Confident82.9Confident37 Ų3754.7 Ų54.717%0.17329%0.287CS..PPolyproline II helixtrans-60.1134.2171-173.3-170.4163.700110.4T217 A301 R356 N367T217-E369 VanDerWaalsContact CB-OE1 3.29Å; T217-E369 WeakPolarHBondContact CB-OE1 3.15Å; T217-E369 WeakPolarHBondContact CG2-OE1 3.47Å; T217-E369 PolarHBondContact OG1-OE1 3.23Å; A301-E369 HydrophobicContact CB-CB 4.35Å; R356-E369 HydrophobicContact CB-CB 4.3Å; R356-E369 VanDerWaalsContact CB-OE2 3.31Å; R356-E369 WeakPolarHBondContact CB-OE2 3.46Å; R356-E369 WeakPolarHBondContact CD-OE2 3.48Å; R356-E369 WeakPolarHBondContact CG-OE2 3.48Å; R356-E369 IonicContact CZ-OE2 3.44Å; R356-E369 IonicContact NE-OE2 3.22Å; R356-E369 PolarHBondContact NE-OE2 3.16Å; R356-E369 IonicContact NH2-OE1 3.23Å; R356-E369 IonicContact NH2-OE2 2.8Å; R356-E369 WeakPolarHBondContact O-CB 3.44Å; R356-E369 PolarHBondContact O-N 3.19Å; N367-E369 PolarHBondContact O-N 3.48Å
370I86.1Confident83.3Confident24 Ų2451.7 Ų51.712%0.12326%0.261CS..PPolyproline II helixtrans-97.1134.9174.7-57.3158.9000107.7W374 I418 K422I370-W374 HydrophobicContact CG2-CB 4.45Å; I370-W374 HydrophobicContact CG2-CE3 3.72Å; I370-W374 HydrophobicContact CG2-CZ3 4.38Å; I370-I418 HydrophobicContact CD1-CG2 3.35Å; I370-I418 HydrophobicContact CG1-CG2 4.23Å; I370-K422 VanDerWaalsContact CG1-CE 3.49Å
371S86.9Confident83.9Confident15 Ų1549.8 Ų49.811%0.10525%0.251CS..PPolyproline II helixtrans-54.2127.6175.4-179.80000111.5K373 W374 Y629S371-K373 PolarHBondContact O-N 3.07Å; S371-W374 PolarHBondContact O-N 3.33Å; S371-W374 VanDerWaalsContact O-N 3.1Å; S371-Y629 PolarHBondContact OG-OH 3.05Å; S371-Y629 VanDerWaalsContact OG-OH 3.07Å
372P90Very high84.6Confident19 Ų1950.4 Ų50.412%0.12326%0.255CS..Hα-helixtrans-57.5-34.8177.2-25.534.5000113.1V214 T217 W374 K375 A376 Y629V214-P372 HydrophobicContact CG1-CB 3.6Å; T217-P372 HydrophobicContact CG2-CG 3.66Å; P372-W374 VanDerWaalsContact C-N 3.25Å; P372-W374 PolarHBondContact O-N 3.44Å; P372-K375 WeakPolarHBondContact O-CB 3.33Å; P372-K375 PolarHBondContact O-N 2.88Å; P372-K375 VanDerWaalsContact O-N 3.08Å; P372-A376 PolarHBondContact O-N 3.23Å; P372-Y629 HydrophobicContact CB-CE1 4.28Å
373K90Very high85.2Confident2 Ų249.7 Ų49.71%0.00924%0.241CC..Hα-helixtrans-58.6-33.6175.7-89.7-176.5179.7-170.90113.2V214 S371 K375 A376 L377 Y581 V627 Y629 E634V214-K373 HydrophobicContact CG2-CG 4.46Å; S371-K373 PolarHBondContact O-N 3.07Å; K373-K375 VanDerWaalsContact C-N 3.34Å; K373-A376 PolarHBondContact O-N 2.66Å; K373-L377 VanDerWaalsContact O-CB 3.25Å; K373-L377 WeakPolarHBondContact O-CB 3.5Å; K373-L377 PolarHBondContact O-N 3.33Å; K373-Y581 HydrophobicContact CB-CE2 3.94Å; K373-Y581 WeakPolarHBondContact CB-OH 3.36Å; K373-Y581 HydrophobicContact CD-CE1 4.18Å; K373-Y581 HydrophobicContact CD-CE2 4.21Å; K373-Y581 PolarHBondContact NZ-O 3.37Å; K373-V627 HydrophobicContact CD-CG1 4.34Å; K373-V627 HydrophobicContact CG-CG1 3.99Å; K373-Y629 HydrophobicContact CD-CD2 4.09Å; K373-Y629 HydrophobicContact CD-CE1 4.36Å; K373-Y629 HydrophobicContact CD-CE2 3.44Å; K373-Y629 VanDerWaalsContact CD-CE2 3.44Å; K373-Y629 HydrophobicContact CG-CE1 3.8Å; K373-Y629 HydrophobicContact CG-CE2 3.83Å; K373-Y629 VanDerWaalsContact CG-CZ 3.41Å; K373-Y629 WeakPolarHBondContact CG-OH 3.3Å; K373-E634 WeakPolarHBondContact CE-OE2 3.44Å; K373-E634 IonicContact NZ-OE1 3.19Å; K373-E634 PolarHBondContact NZ-OE1 3.27Å; K373-E634 IonicContact NZ-OE2 4Å; K373-E634 PolarHBondContact NZ-OE2 3.02Å
374W88.9Confident85.9Confident8 Ų842.6 Ų42.63%0.0321%0.21CC..Hα-helixtrans-70.3-32.4177.5-62.6-11.3000112.5I370 S371 P372 S378 L410 Y413 I421 Y581I370-W374 HydrophobicContact CG2-CB 4.45Å; I370-W374 HydrophobicContact CG2-CE3 3.72Å; I370-W374 HydrophobicContact CG2-CZ3 4.38Å; S371-W374 PolarHBondContact O-N 3.33Å; S371-W374 VanDerWaalsContact O-N 3.1Å; P372-W374 VanDerWaalsContact C-N 3.25Å; P372-W374 PolarHBondContact O-N 3.44Å; W374-S378 PolarHBondContact O-N 2.84Å; W374-S378 VanDerWaalsContact O-N 3.09Å; W374-S378 PolarHBondContact O-OG 2.79Å; W374-L410 HydrophobicContact CG-CD2 4.47Å; W374-Y413 HydrophobicContact CB-CD1 4.38Å; W374-Y413 HydrophobicContact CB-CE1 3.95Å; W374-Y413 HydrophobicContact CB-CE2 4.13Å; W374-Y413 HydrophobicContact CE3-CD2 4.11Å; W374-Y413 HydrophobicContact CE3-CE2 4.39Å; W374-Y413 WeakPolarHBondContact O-CE1 3.38Å; W374-Y413 PolarHBondContact O-OH 3.02Å; W374-I421 HydrophobicContact CE3-CD1 4.49Å; W374-I421 HydrophobicContact CH2-CD1 3.84Å; W374-I421 HydrophobicContact CZ3-CD1 3.81Å; W374-I421 HydrophobicContact CZ3-CG1 4.39Å; W374-I421 HydrophobicContact CZ3-CG2 4.28Å; W374-Y581 VanDerWaalsContact CD1-OH 3.3Å; W374-Y581 PolarHBondContact NE1-OH 2.63Å
375K89Confident86.4Confident107 Ų10740 Ų4047%0.46520%0.198SC..Hα-helixtrans-70-49.1173.8-64.5-179.8-179.1174.90110.3P372 K373 L377 S378 E379P372-K375 WeakPolarHBondContact O-CB 3.33Å; P372-K375 PolarHBondContact O-N 2.88Å; P372-K375 VanDerWaalsContact O-N 3.08Å; K373-K375 VanDerWaalsContact C-N 3.34Å; K375-L377 VanDerWaalsContact C-N 3.33Å; K375-L377 PolarHBondContact O-N 3.44Å; K375-S378 PolarHBondContact O-N 2.9Å; K375-S378 PolarHBondContact O-OG 2.82Å; K375-E379 PolarHBondContact O-N 2.76Å
376A91.3Very high86.7Confident12 Ų1238.9 Ų38.910%0.09920%0.195CC..Hα-helixtrans-56.4-47175.400000111.4V214 P372 K373 S378 E379 L380V214-A376 HydrophobicContact CG2-CB 3.67Å; P372-A376 PolarHBondContact O-N 3.23Å; K373-A376 PolarHBondContact O-N 2.66Å; A376-S378 VanDerWaalsContact C-N 3.31Å; A376-S378 PolarHBondContact O-N 2.99Å; A376-E379 PolarHBondContact O-N 3.39Å; A376-E379 VanDerWaalsContact O-N 3.12Å; A376-L380 WeakPolarHBondContact O-CG 3.19Å; A376-L380 PolarHBondContact O-N 3.28Å
377L90.7Very high86.7Confident1 Ų139.7 Ų39.71%0.00520%0.2CC..Hα-helixtrans-58.8-41175.8-174.770.3000112.2K373 K375 E379 L380 L381 I399 L410 I579K373-L377 VanDerWaalsContact O-CB 3.25Å; K373-L377 WeakPolarHBondContact O-CB 3.5Å; K373-L377 PolarHBondContact O-N 3.33Å; K375-L377 VanDerWaalsContact C-N 3.33Å; K375-L377 PolarHBondContact O-N 3.44Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-L380 PolarHBondContact O-N 3.15Å; L377-L381 HydrophobicContact CG-CD1 4.23Å; L377-L381 WeakPolarHBondContact O-CB 3.49Å; L377-L381 VanDerWaalsContact O-CG 3.25Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.12Å; L377-I399 HydrophobicContact CD1-CD1 4.43Å; L377-L410 HydrophobicContact CD2-CD2 3.81Å; L377-I579 HydrophobicContact CD1-CD1 3.97Å; L377-I579 HydrophobicContact CD1-CG2 3.99Å
378S88.6Confident86.4Confident15 Ų1535.4 Ų35.411%0.10518%0.177CC..Hα-helixtrans-68.8-31.9177.466.60000113.3W374 K375 A376 K382W374-S378 PolarHBondContact O-N 2.84Å; W374-S378 VanDerWaalsContact O-N 3.09Å; W374-S378 PolarHBondContact O-OG 2.79Å; K375-S378 PolarHBondContact O-N 2.9Å; K375-S378 PolarHBondContact O-OG 2.82Å; A376-S378 VanDerWaalsContact C-N 3.31Å; A376-S378 PolarHBondContact O-N 2.99Å; S378-K382 VanDerWaalsContact O-CG 3.25Å; S378-K382 WeakPolarHBondContact O-CG 3.42Å; S378-K382 PolarHBondContact O-N 3.32Å
379E89.4Confident85.4Confident128 Ų12838.2 Ų38.260%0.59819%0.194SC*.Hα-helixtrans-69.8-46.1174.1-71.8170.6-17700110.6K375 A376 L377 L381 K382 E383K375-E379 PolarHBondContact O-N 2.76Å; A376-E379 PolarHBondContact O-N 3.39Å; A376-E379 VanDerWaalsContact O-N 3.12Å; L377-E379 VanDerWaalsContact C-N 3.34Å; E379-L381 PolarHBondContact O-N 2.93Å; E379-K382 WeakPolarHBondContact O-CB 3.39Å; E379-K382 PolarHBondContact O-N 3.47Å; E379-E383 PolarHBondContact O-N 3.38Å
380L89.3Confident84.3Confident11 Ų1143.3 Ų43.36%0.05822%0.223CC..Hα-helixtrans-59.2-44.3174.5-67.2174.2000112.4V212 A376 L377 K382 E383 I384 Y625 V627V212-L380 HydrophobicContact CB-CD1 4.35Å; V212-L380 HydrophobicContact CG1-CD1 4.13Å; V212-L380 HydrophobicContact CG1-CD2 4.35Å; V212-L380 HydrophobicContact CG1-CG 4.48Å; V212-L380 HydrophobicContact CG2-CD1 3.87Å; V212-L380 HydrophobicContact CG2-CD2 3.67Å; V212-L380 HydrophobicContact CG2-CG 4.33Å; A376-L380 WeakPolarHBondContact O-CG 3.19Å; A376-L380 PolarHBondContact O-N 3.28Å; L377-L380 PolarHBondContact O-N 3.15Å; L380-K382 VanDerWaalsContact C-N 3.3Å; L380-K382 PolarHBondContact O-N 3.35Å; L380-E383 WeakPolarHBondContact O-CB 3.46Å; L380-E383 PolarHBondContact O-N 3.47Å; L380-I384 VanDerWaalsContact O-CG1 3.26Å; L380-I384 WeakPolarHBondContact O-CG1 2.92Å; L380-I384 PolarHBondContact O-N 3.01Å; L380-Y625 HydrophobicContact CD2-CD1 3.86Å; L380-Y625 HydrophobicContact CD2-CE1 4.01Å; L380-V627 HydrophobicContact CD1-CG2 3.98Å
381L88.7Confident83Confident8 Ų846.5 Ų46.54%0.04224%0.237CC..Hα-helixtrans-65.2-34.5178.3-72.5176.5000112.3L377 E379 Y385 I397 L414 I528 I579L377-L381 HydrophobicContact CG-CD1 4.23Å; L377-L381 WeakPolarHBondContact O-CB 3.49Å; L377-L381 VanDerWaalsContact O-CG 3.25Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.12Å; E379-L381 PolarHBondContact O-N 2.93Å; L381-Y385 VanDerWaalsContact O-CB 3.29Å; L381-Y385 WeakPolarHBondContact O-CB 3.36Å; L381-Y385 PolarHBondContact O-N 2.98Å; L381-I397 HydrophobicContact CD2-CD1 4.05Å; L381-I397 HydrophobicContact CD2-CG2 4.49Å; L381-L414 HydrophobicContact CD1-CD2 3.61Å; L381-I528 HydrophobicContact CD1-CD1 4.25Å; L381-I528 HydrophobicContact CD2-CD1 3.66Å; L381-I579 HydrophobicContact CD2-CD1 4.08Å
382K86.8Confident81.3Confident86 Ų8653.2 Ų53.237%0.37428%0.278SS..Hα-helixtrans-65.8-43.7172.7-74.3169.9-176-1800111.2S378 E379 L380 Y385 T386 L514S378-K382 VanDerWaalsContact O-CG 3.25Å; S378-K382 WeakPolarHBondContact O-CG 3.42Å; S378-K382 PolarHBondContact O-N 3.32Å; E379-K382 WeakPolarHBondContact O-CB 3.39Å; E379-K382 PolarHBondContact O-N 3.47Å; L380-K382 VanDerWaalsContact C-N 3.3Å; L380-K382 PolarHBondContact O-N 3.35Å; K382-Y385 WeakPolarHBondContact O-CB 3.48Å; K382-Y385 PolarHBondContact O-N 3.01Å; K382-T386 WeakPolarHBondContact O-CG2 3.42Å; K382-T386 PolarHBondContact O-N 3.4Å; K382-T386 PolarHBondContact O-OG1 3.49Å; K382-L514 WeakPolarHBondContact CE-O 3.47Å; K382-L514 WeakPolarHBondContact CG-O 3.4Å
383E87Confident80Confident83 Ų8354.9 Ų54.939%0.38829%0.29SS..Hα-helixtrans-62.5-46.4177.9-176.5-179.7176.800112.1E379 L380 Y385 T386 N387E379-E383 PolarHBondContact O-N 3.38Å; L380-E383 WeakPolarHBondContact O-CB 3.46Å; L380-E383 PolarHBondContact O-N 3.47Å; E383-Y385 VanDerWaalsContact C-N 3.27Å; E383-Y385 PolarHBondContact O-N 2.99Å; E383-T386 WeakPolarHBondContact CA-OG1 3.45Å; E383-T386 PolarHBondContact O-N 3.49Å; E383-T386 PolarHBondContact O-OG1 2.82Å; E383-N387 WeakPolarHBondContact O-CB 3.46Å; E383-N387 VanDerWaalsContact O-CG 3.25Å; E383-N387 PolarHBondContact O-N 3.1Å; E383-N387 PolarHBondContact O-ND2 3.21Å
384I85.4Confident78.9Confident0 Ų060.7 Ų60.70%032%0.321CS..Hα-helixtrans-61.9-39.3175.5-64.3163.6000110.4L380 N387 T388 I397 Y577 I579 Y625L380-I384 VanDerWaalsContact O-CG1 3.26Å; L380-I384 WeakPolarHBondContact O-CG1 2.92Å; L380-I384 PolarHBondContact O-N 3.01Å; I384-N387 PolarHBondContact O-N 3.03Å; I384-T388 WeakPolarHBondContact O-CB 3.29Å; I384-T388 PolarHBondContact O-N 2.92Å; I384-T388 PolarHBondContact O-OG1 3.05Å; I384-I397 HydrophobicContact CB-CD1 4.43Å; I384-I397 HydrophobicContact CD1-CD1 4.45Å; I384-I397 HydrophobicContact CG2-CD1 3.64Å; I384-I397 HydrophobicContact CG2-CG1 4.32Å; I384-Y577 HydrophobicContact CG1-CD1 4.36Å; I384-Y577 HydrophobicContact CG2-CD1 4.19Å; I384-Y577 HydrophobicContact CG2-CD2 3.91Å; I384-Y577 HydrophobicContact CG2-CE1 4.13Å; I384-Y577 HydrophobicContact CG2-CE2 3.9Å; I384-Y577 HydrophobicContact CG2-CG 4.07Å; I384-I579 HydrophobicContact CD1-CD1 4.11Å; I384-Y625 HydrophobicContact CD1-CD2 4.05Å; I384-Y625 HydrophobicContact CD1-CE2 3.58Å; I384-Y625 HydrophobicContact CG1-CE2 3.8Å
385Y82.4Confident78.4Confident34 Ų3460.3 Ų60.313%0.13332%0.32CS..Hα-helixtrans-62-47.2175.8-173.8-90.1000111.8L381 K382 E383 N387 T388 T389 L515 L526L381-Y385 VanDerWaalsContact O-CB 3.29Å; L381-Y385 WeakPolarHBondContact O-CB 3.36Å; L381-Y385 PolarHBondContact O-N 2.98Å; K382-Y385 WeakPolarHBondContact O-CB 3.48Å; K382-Y385 PolarHBondContact O-N 3.01Å; E383-Y385 VanDerWaalsContact C-N 3.27Å; E383-Y385 PolarHBondContact O-N 2.99Å; Y385-N387 VanDerWaalsContact C-N 3.3Å; Y385-N387 PolarHBondContact O-N 3.47Å; Y385-T388 PolarHBondContact O-N 3.23Å; Y385-T389 HydrophobicContact CD1-CG2 4.28Å; Y385-T389 HydrophobicContact CE1-CG2 3.89Å; Y385-T389 PolarHBondContact O-N 3.29Å; Y385-T389 VanDerWaalsContact O-N 3.14Å; Y385-L515 HydrophobicContact CD2-CD1 4.24Å; Y385-L515 HydrophobicContact CD2-CD2 4.29Å; Y385-L515 HydrophobicContact CE2-CD1 4.41Å; Y385-L515 HydrophobicContact CG-CD2 4.19Å; Y385-L526 HydrophobicContact CD2-CD1 3.5Å; Y385-L526 HydrophobicContact CD2-CG 4.14Å; Y385-L526 HydrophobicContact CE2-CD1 4.41Å; Y385-L526 HydrophobicContact CG-CD1 4.26Å
386T82.5Confident78.2Confident76 Ų7656.3 Ų56.347%0.46630%0.304SS..Hα-helixtrans-64-34.3177.648.70000112.8K382 E383 T389K382-T386 WeakPolarHBondContact O-CG2 3.42Å; K382-T386 PolarHBondContact O-N 3.4Å; K382-T386 PolarHBondContact O-OG1 3.49Å; E383-T386 WeakPolarHBondContact CA-OG1 3.45Å; E383-T386 PolarHBondContact O-N 3.49Å; E383-T386 PolarHBondContact O-OG1 2.82Å; T386-T389 PolarHBondContact O-OG1 3.45Å
387N78.8Confident78.1Confident69 Ų6955.8 Ų55.837%0.36930%0.299SS..Hα-helixtrans-74-28.7176.7-68.6-20.1000112.4E383 I384 Y385E383-N387 WeakPolarHBondContact O-CB 3.46Å; E383-N387 VanDerWaalsContact O-CG 3.25Å; E383-N387 PolarHBondContact O-N 3.1Å; E383-N387 PolarHBondContact O-ND2 3.21Å; I384-N387 PolarHBondContact O-N 3.03Å; Y385-N387 VanDerWaalsContact C-N 3.3Å; Y385-N387 PolarHBondContact O-N 3.47Å
388T73.8Confident78.1Confident1 Ų155.8 Ų55.81%0.00630%0.3CS..Hα-helixtrans-82.4-26-178.6-54.60000112.4I384 Y385 D390 Q391 S395 L526I384-T388 WeakPolarHBondContact O-CB 3.29Å; I384-T388 PolarHBondContact O-N 2.92Å; I384-T388 PolarHBondContact O-OG1 3.05Å; Y385-T388 PolarHBondContact O-N 3.23Å; T388-D390 PolarHBondContact O-N 2.93Å; T388-Q391 PolarHBondContact O-N 3.32Å; T388-S395 VanDerWaalsContact CG2-OG 3.3Å; T388-S395 WeakPolarHBondContact CG2-OG 2.87Å; T388-L526 HydrophobicContact CG2-CD2 3.74Å
389T63.8Low78.3Confident67 Ų6755.1 Ų55.141%0.41130%0.295SS..THydrogen-bonded Turntrans-59.8-20.5179.442.90000113.8Y385 T386Y385-T389 HydrophobicContact CD1-CG2 4.28Å; Y385-T389 HydrophobicContact CE1-CG2 3.89Å; Y385-T389 PolarHBondContact O-N 3.29Å; Y385-T389 VanDerWaalsContact O-N 3.14Å; T386-T389 PolarHBondContact O-OG1 3.45Å
390D60.7Low78.4Confident143 Ų14349 Ų4977%0.76527%0.266SS*.THydrogen-bonded Turntrans-84.5-13.7176.3-63.5-16.3000113T388T388-D390 PolarHBondContact O-N 2.93Å
391Q59.2Low78.4Confident92 Ų9248.6 Ų48.643%0.4326%0.264SS..  trans-112126.5-176.6-60.3-174.48.700110.8T388 S393T388-Q391 PolarHBondContact O-N 3.32Å; Q391-S393 PolarHBondContact O-N 3.39Å
392T52.1Low78.1Confident156 Ų15650 Ų5096%0.95728%0.275SS*.  trans-74.80.4-178.647.90000114.2
393S62.6Low77.9Confident53 Ų5350.9 Ų50.937%0.37128%0.276SS..SBendtrans-88.8136.5-179.951.50000112.1Q391 S395Q391-S393 PolarHBondContact O-N 3.39Å; S393-S395 PolarHBondContact O-N 2.92Å; S393-S395 VanDerWaalsContact O-N 3.13Å
394N66.9Low77.7Confident124 Ų12451.1 Ų51.166%0.66328%0.277SS*.  trans-61.6112.6169.4-69.3-18.5000109.6S525N394-S525 WeakPolarHBondContact CA-O 3.28Å
395S76.8Confident77.6Confident1 Ų155.6 Ų55.61%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-91.9127.3179.6-640000110.6T388 S393 S525 R527T388-S395 VanDerWaalsContact CG2-OG 3.3Å; T388-S395 WeakPolarHBondContact CG2-OG 2.87Å; S393-S395 PolarHBondContact O-N 2.92Å; S393-S395 VanDerWaalsContact O-N 3.13Å; S395-S525 PolarHBondContact N-O 3.36Å; S395-R527 PolarHBondContact O-N 3.03Å
396T85.9Confident77.7Confident22 Ų2254.2 Ų54.214%0.13530%0.296CS..EExtended strand (participates in β ladder)trans-97.2125.1175.143.70000110R527 Q574 P575 N576 Y577T396-R527 WeakPolarHBondContact CA-O 3.33Å; T396-R527 HydrophobicContact CG2-CB 4.14Å; T396-Q574 PolarHBondContact OG1-O 2.83Å; T396-P575 VanDerWaalsContact OG1-CA 3.28Å; T396-P575 WeakPolarHBondContact OG1-CA 3.48Å; T396-N576 PolarHBondContact N-OD1 3.3Å; T396-N576 PolarHBondContact O-N 3.06Å; T396-N576 PolarHBondContact OG1-N 3.21Å; T396-N576 PolarHBondContact OG1-OD1 2.8Å; T396-Y577 PolarHBondContact O-N 3.5Å
397I89.6Confident77.8Confident1 Ų150.9 Ų50.91%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-109.8122.7177.4-53.3177.6000108.6L381 I384 I399 L526 R527 I528 I529 Y577 I579L381-I397 HydrophobicContact CD2-CD1 4.05Å; L381-I397 HydrophobicContact CD2-CG2 4.49Å; I384-I397 HydrophobicContact CB-CD1 4.43Å; I384-I397 HydrophobicContact CD1-CD1 4.45Å; I384-I397 HydrophobicContact CG2-CD1 3.64Å; I384-I397 HydrophobicContact CG2-CG1 4.32Å; I397-I399 HydrophobicContact CG2-CG1 4.38Å; I397-L526 HydrophobicContact CD1-CD1 4.2Å; I397-L526 HydrophobicContact CD1-CD2 4.46Å; I397-R527 PolarHBondContact N-O 3.45Å; I397-I528 HydrophobicContact CB-CG1 4.28Å; I397-I528 HydrophobicContact CD1-CD1 4.14Å; I397-I528 HydrophobicContact CD1-CG1 4.21Å; I397-I529 PolarHBondContact O-N 3.23Å; I397-Y577 WeakPolarHBondContact CA-O 3.47Å; I397-Y577 HydrophobicContact CG1-CD2 4.25Å; I397-I579 HydrophobicContact CG2-CD1 3.97Å; I397-I579 HydrophobicContact CG2-CG1 4.25Å
398L91Very high78.1Confident2 Ų252.6 Ų52.61%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-107.6115.5176.4-178.964.7000110.5L400 I529 R531 L566 L570 L573 P575 Y577 V578 I579L398-L400 HydrophobicContact CD1-CD2 4.44Å; L398-L400 HydrophobicContact CD2-CD2 3.95Å; L398-L400 HydrophobicContact CG-CD2 3.95Å; L398-L400 HydrophobicContact CG-CG 4.43Å; L398-I529 CarbonylContact C-O 3.59Å; L398-I529 WeakPolarHBondContact CA-O 3.44Å; L398-I529 HydrophobicContact CD1-CB 4.27Å; L398-I529 HydrophobicContact CD1-CG2 4.07Å; L398-R531 HydrophobicContact CD1-CB 4Å; L398-L566 HydrophobicContact CD2-CD1 4.38Å; L398-L570 HydrophobicContact CD2-CD2 3.74Å; L398-L573 HydrophobicContact CD1-CD1 4.09Å; L398-P575 HydrophobicContact CB-CB 3.92Å; L398-P575 HydrophobicContact CB-CG 4.3Å; L398-P575 HydrophobicContact CD2-CG 4.2Å; L398-Y577 PolarHBondContact N-O 2.79Å; L398-V578 HydrophobicContact CB-CG2 4.35Å; L398-V578 CarbonylContact O-C 3.6Å; L398-V578 WeakPolarHBondContact O-CA 3.45Å; L398-I579 PolarHBondContact O-N 3.29Å
399I92Very high78.6Confident0 Ų054.6 Ų54.60%029%0.285CS..EExtended strand (participates in β ladder)trans-98.4117.7175.4-53.3178.7000108.7L377 I397 V401 L414 I528 I529 I530 R531 I579L377-I399 HydrophobicContact CD1-CD1 4.43Å; I397-I399 HydrophobicContact CG2-CG1 4.38Å; I399-V401 HydrophobicContact CG2-CG2 3.94Å; I399-L414 HydrophobicContact CD1-CD1 4.4Å; I399-I528 HydrophobicContact CD1-CG2 3.83Å; I399-I528 HydrophobicContact CG1-CG2 4.3Å; I399-I529 PolarHBondContact N-O 2.89Å; I399-I530 HydrophobicContact CB-CG1 4.34Å; I399-I530 HydrophobicContact CD1-CG1 4.38Å; I399-R531 PolarHBondContact O-N 2.73Å; I399-I579 HydrophobicContact CG1-CB 4.32Å; I399-I579 HydrophobicContact CG1-CD1 4.29Å
400L91.2Very high79.7Confident1 Ų151.5 Ų51.51%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-94.1119.5179.5-62.2179.7000110.1L398 R531 L566 V578 I579 L580 Y581 W587 L591L398-L400 HydrophobicContact CD1-CD2 4.44Å; L398-L400 HydrophobicContact CD2-CD2 3.95Å; L398-L400 HydrophobicContact CG-CD2 3.95Å; L398-L400 HydrophobicContact CG-CG 4.43Å; L400-R531 HydrophobicContact CD2-CB 3.94Å; L400-R531 VanDerWaalsContact CD2-CD 3.5Å; L400-R531 HydrophobicContact CD2-CG 4.37Å; L400-L566 HydrophobicContact CD1-CD1 4.42Å; L400-L566 HydrophobicContact CD1-CD2 4.06Å; L400-L566 HydrophobicContact CD2-CD1 3.91Å; L400-V578 HydrophobicContact CD1-CG1 3.83Å; L400-V578 HydrophobicContact CG-CG1 4.21Å; L400-I579 PolarHBondContact N-O 2.82Å; L400-L580 HydrophobicContact CB-CD2 4.19Å; L400-L580 HydrophobicContact CD1-CD2 3.5Å; L400-L580 HydrophobicContact CG-CD2 4.38Å; L400-Y581 VanDerWaalsContact O-CB 3.32Å; L400-Y581 WeakPolarHBondContact O-CB 3.4Å; L400-Y581 PolarHBondContact O-N 3.36Å; L400-W587 HydrophobicContact CB-CE3 4.09Å; L400-W587 HydrophobicContact CB-CZ3 4.04Å; L400-W587 HydrophobicContact CD1-CE3 4.48Å; L400-L591 HydrophobicContact CD1-CD1 4.42Å
401V89.5Confident80.9Confident1 Ų147.3 Ų47.31%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-128.6139.2-178.3-174.10000109.6I399 T406 A407 L410 I530 R531I399-V401 HydrophobicContact CG2-CG2 3.94Å; V401-T406 HydrophobicContact CG1-CG2 3.8Å; V401-A407 HydrophobicContact CG1-CB 4.37Å; V401-L410 HydrophobicContact CG1-CD1 4.49Å; V401-L410 HydrophobicContact CG2-CD1 3.79Å; V401-I530 HydrophobicContact CG2-CG2 3.94Å; V401-R531 PolarHBondContact N-O 3.41Å
402S83Confident82.1Confident39 Ų3947.7 Ų47.727%0.27324%0.239SC..SBendtrans-79.2-40.7-176.772.40000113.5E582S402-E582 WeakPolarHBondContact CB-OE2 3.46Å; S402-E582 PolarHBondContact OG-OE1 3.12Å; S402-E582 PolarHBondContact OG-OE2 3.42Å
403R81.9Confident83.7Confident103 Ų10340.2 Ų40.239%0.38919%0.194SC..  trans-111.1141.7-174.3-63.6-164.8-179.3166.2-1.9113.1E298 N405 T406 A407E298-R403 IonicContact OE1-CZ 2.79Å; E298-R403 IonicContact OE1-NE 3.28Å; E298-R403 IonicContact OE1-NH1 3.73Å; E298-R403 IonicContact OE1-NH2 2.94Å; E298-R403 WeakPolarHBondContact OE2-CD 3.22Å; E298-R403 IonicContact OE2-CZ 2.67Å; E298-R403 IonicContact OE2-NE 2.64Å; E298-R403 PolarHBondContact OE2-NE 3.14Å; E298-R403 IonicContact OE2-NH1 3.5Å; E298-R403 PolarHBondContact OE2-NH1 3.28Å; E298-R403 IonicContact OE2-NH2 3.87Å; R403-N405 VanDerWaalsContact C-N 3.33Å; R403-N405 PolarHBondContact O-N 3.46Å; R403-T406 PolarHBondContact O-N 3.39Å; R403-A407 PolarHBondContact O-N 2.99Å; R403-A407 VanDerWaalsContact O-N 3.15Å
404E82.9Confident84.7Confident89 Ų8937.8 Ų37.842%0.41618%0.177SC..Hα-helixtrans-63.7-36.8178.8-160.5-169.9-170.900112.8T406 A407 R408 V532E404-T406 PolarHBondContact O-N 3.03Å; E404-A407 PolarHBondContact O-N 3.17Å; E404-R408 VanDerWaalsContact CD-NH1 3.33Å; E404-R408 WeakPolarHBondContact O-CG 3.37Å; E404-R408 PolarHBondContact O-N 3.34Å; E404-R408 IonicContact OE1-CZ 2.84Å; E404-R408 IonicContact OE1-NH1 2.74Å; E404-R408 IonicContact OE1-NH2 3.33Å; E404-R408 PolarHBondContact OE1-NH2 3.33Å; E404-R408 IonicContact OE2-CZ 3.35Å; E404-R408 IonicContact OE2-NH1 3.75Å; E404-R408 PolarHBondContact OE2-NH1 2.87Å; E404-R408 IonicContact OE2-NH2 2.96Å; E404-R408 PolarHBondContact OE2-NH2 2.99Å; E404-V532 HydrophobicContact CB-CG1 4.05Å; E404-V532 HydrophobicContact CG-CG1 4.49Å
405N82.5Confident85.6Confident93 Ų9334.7 Ų34.750%0.49716%0.158SC..Hα-helixtrans-63-44177.7-70.1-19.3000111.9R403 A407 R408 Y409R403-N405 VanDerWaalsContact C-N 3.33Å; R403-N405 PolarHBondContact O-N 3.46Å; N405-A407 VanDerWaalsContact C-N 3.31Å; N405-A407 PolarHBondContact O-N 3.14Å; N405-R408 PolarHBondContact O-N 2.94Å; N405-R408 PolarHBondContact OD1-NH1 3.22Å; N405-R408 VanDerWaalsContact OD1-NH1 3.09Å; N405-Y409 HydrophobicContact CB-CE2 4.36Å; N405-Y409 WeakPolarHBondContact O-CD2 3.48Å; N405-Y409 PolarHBondContact O-N 3.13Å
406T85.2Confident85.7Confident6 Ų641.6 Ų41.64%0.03718%0.184CC..Hα-helixtrans-60.8-43.4176-50.10000110.4V401 R403 E404 Y409 L410 Y581V401-T406 HydrophobicContact CG1-CG2 3.8Å; R403-T406 PolarHBondContact O-N 3.39Å; E404-T406 PolarHBondContact O-N 3.03Å; T406-Y409 PolarHBondContact O-N 3.05Å; T406-L410 HydrophobicContact CG2-CD1 4.08Å; T406-L410 HydrophobicContact CG2-CG 4.48Å; T406-L410 WeakPolarHBondContact O-CB 3.45Å; T406-L410 VanDerWaalsContact O-CG 3.29Å; T406-L410 WeakPolarHBondContact O-CG 3.5Å; T406-L410 PolarHBondContact O-N 2.92Å; T406-Y581 HydrophobicContact CG2-CD1 4.25Å; T406-Y581 HydrophobicContact CG2-CE1 3.73Å
407A85.5Confident85.5Confident6 Ų640.6 Ų40.65%0.0518%0.178CC..Hα-helixtrans-62.5-43175.700000113.1V401 R403 E404 N405 Y409 L410 E411 I530 V532V401-A407 HydrophobicContact CG1-CB 4.37Å; R403-A407 PolarHBondContact O-N 2.99Å; R403-A407 VanDerWaalsContact O-N 3.15Å; E404-A407 PolarHBondContact O-N 3.17Å; N405-A407 VanDerWaalsContact C-N 3.31Å; N405-A407 PolarHBondContact O-N 3.14Å; A407-Y409 VanDerWaalsContact C-N 3.32Å; A407-Y409 PolarHBondContact O-N 3.25Å; A407-L410 PolarHBondContact O-N 3.47Å; A407-E411 VanDerWaalsContact O-CB 3.29Å; A407-E411 WeakPolarHBondContact O-CB 3.32Å; A407-E411 PolarHBondContact O-N 3.2Å; A407-I530 HydrophobicContact CB-CG2 3.9Å; A407-V532 HydrophobicContact CB-CG2 3.15Å
408R84.1Confident85.1Confident105 Ų10543.3 Ų43.340%0.39619%0.192SC..Hα-helixtrans-61.3-39.2174.7-71.1179.2-176.6115.5-2.4112.5E404 N405 R412E404-R408 VanDerWaalsContact CD-NH1 3.33Å; E404-R408 WeakPolarHBondContact O-CG 3.37Å; E404-R408 PolarHBondContact O-N 3.34Å; E404-R408 IonicContact OE1-CZ 2.84Å; E404-R408 IonicContact OE1-NH1 2.74Å; E404-R408 IonicContact OE1-NH2 3.33Å; E404-R408 PolarHBondContact OE1-NH2 3.33Å; E404-R408 IonicContact OE2-CZ 3.35Å; E404-R408 IonicContact OE2-NH1 3.75Å; E404-R408 PolarHBondContact OE2-NH1 2.87Å; E404-R408 IonicContact OE2-NH2 2.96Å; E404-R408 PolarHBondContact OE2-NH2 2.99Å; N405-R408 PolarHBondContact O-N 2.94Å; N405-R408 PolarHBondContact OD1-NH1 3.22Å; N405-R408 VanDerWaalsContact OD1-NH1 3.09Å; R408-R412 WeakPolarHBondContact O-CB 3.36Å; R408-R412 WeakPolarHBondContact O-CG 3.49Å; R408-R412 PolarHBondContact O-N 2.96Å; R408-R412 VanDerWaalsContact O-N 3.1Å
409Y85.1Confident84.5Confident43 Ų4349.7 Ų49.717%0.16922%0.222CC..Hα-helixtrans-68.1-43.3175.9-68.3-52.8000111.6N405 T406 A407 R412 Y413 I421 F424 L425N405-Y409 HydrophobicContact CB-CE2 4.36Å; N405-Y409 WeakPolarHBondContact O-CD2 3.48Å; N405-Y409 PolarHBondContact O-N 3.13Å; T406-Y409 PolarHBondContact O-N 3.05Å; A407-Y409 VanDerWaalsContact C-N 3.32Å; A407-Y409 PolarHBondContact O-N 3.25Å; Y409-R412 PolarHBondContact O-N 3.49Å; Y409-Y413 VanDerWaalsContact O-CB 3.23Å; Y409-Y413 WeakPolarHBondContact O-CB 3.15Å; Y409-Y413 PolarHBondContact O-N 2.78Å; Y409-I421 WeakPolarHBondContact O-CD1 3.38Å; Y409-F424 HydrophobicContact CE1-CE1 4.12Å; Y409-L425 HydrophobicContact CD1-CD2 4.47Å; Y409-L425 HydrophobicContact CE1-CD2 4.11Å
410L86.3Confident83.8Confident1 Ų151.5 Ų51.51%0.00523%0.234CC..Hα-helixtrans-63.3-44.5175.9-73.8172.4000111.7W374 L377 V401 T406 A407 R412 Y413 L414 I530 Y581W374-L410 HydrophobicContact CG-CD2 4.47Å; L377-L410 HydrophobicContact CD2-CD2 3.81Å; V401-L410 HydrophobicContact CG1-CD1 4.49Å; V401-L410 HydrophobicContact CG2-CD1 3.79Å; T406-L410 HydrophobicContact CG2-CD1 4.08Å; T406-L410 HydrophobicContact CG2-CG 4.48Å; T406-L410 WeakPolarHBondContact O-CB 3.45Å; T406-L410 VanDerWaalsContact O-CG 3.29Å; T406-L410 WeakPolarHBondContact O-CG 3.5Å; T406-L410 PolarHBondContact O-N 2.92Å; A407-L410 PolarHBondContact O-N 3.47Å; L410-R412 PolarHBondContact O-N 2.88Å; L410-Y413 WeakPolarHBondContact O-CB 3.5Å; L410-Y413 PolarHBondContact O-N 2.82Å; L410-L414 WeakPolarHBondContact O-CB 3.17Å; L410-L414 VanDerWaalsContact O-CG 3.26Å; L410-L414 WeakPolarHBondContact O-CG 3.21Å; L410-L414 PolarHBondContact O-N 3.22Å; L410-I530 HydrophobicContact CB-CD1 4.23Å; L410-Y581 HydrophobicContact CD1-CD1 4.31Å; L410-Y581 HydrophobicContact CD1-CD2 4.29Å; L410-Y581 HydrophobicContact CD1-CE1 4.25Å; L410-Y581 HydrophobicContact CD1-CE2 4.2Å; L410-Y581 HydrophobicContact CD1-CG 4.35Å; L410-Y581 HydrophobicContact CD2-CE2 4.08Å
411E85.8Confident83.2Confident56 Ų5651.6 Ų51.626%0.26224%0.235SC..Hα-helixtrans-57.7-49.8175.9-178-173.2177.200110.7A407 Y413 L414 Q415 V508 I530A407-E411 VanDerWaalsContact O-CB 3.29Å; A407-E411 WeakPolarHBondContact O-CB 3.32Å; A407-E411 PolarHBondContact O-N 3.2Å; E411-Y413 VanDerWaalsContact C-N 3.35Å; E411-Y413 PolarHBondContact O-N 3.24Å; E411-L414 PolarHBondContact O-N 2.85Å; E411-Q415 HydrophobicContact CG-CG 4.45Å; E411-Q415 VanDerWaalsContact CG-NE2 3.34Å; E411-Q415 WeakPolarHBondContact O-CB 3.45Å; E411-Q415 VanDerWaalsContact O-CG 3.28Å; E411-Q415 WeakPolarHBondContact O-CG 3.47Å; E411-Q415 PolarHBondContact O-N 2.97Å; E411-Q415 PolarHBondContact OE1-NE2 3.43Å; E411-V508 HydrophobicContact CB-CG2 4.4Å; E411-V508 HydrophobicContact CG-CG1 4.16Å; E411-V508 HydrophobicContact CG-CG2 3.95Å; E411-I530 HydrophobicContact CB-CD1 4.43Å
412R83.8Confident82.8Confident99 Ų9954 Ų5437%0.37425%0.245SC..Hα-helixtrans-64.1-39.3177-76.8-178.7170154.9-0112.9R408 Y409 L410 R416 F424R408-R412 WeakPolarHBondContact O-CB 3.36Å; R408-R412 WeakPolarHBondContact O-CG 3.49Å; R408-R412 PolarHBondContact O-N 2.96Å; R408-R412 VanDerWaalsContact O-N 3.1Å; Y409-R412 PolarHBondContact O-N 3.49Å; L410-R412 PolarHBondContact O-N 2.88Å; R412-R416 PolarHBondContact O-N 2.97Å; R412-F424 VanDerWaalsContact NH1-CE1 3.29Å; R412-F424 VanDerWaalsContact NH1-CE2 3.25Å
413Y85.7Confident82.5Confident0 Ų056.6 Ų56.60%025%0.252CS..Hα-helixtrans-59.8-49.6175.8173.6-105.8000110.6W374 Y409 L410 E411 G417 I418 I421 L514W374-Y413 HydrophobicContact CB-CD1 4.38Å; W374-Y413 HydrophobicContact CB-CE1 3.95Å; W374-Y413 HydrophobicContact CB-CE2 4.13Å; W374-Y413 HydrophobicContact CE3-CD2 4.11Å; W374-Y413 HydrophobicContact CE3-CE2 4.39Å; W374-Y413 WeakPolarHBondContact O-CE1 3.38Å; W374-Y413 PolarHBondContact O-OH 3.02Å; Y409-Y413 VanDerWaalsContact O-CB 3.23Å; Y409-Y413 WeakPolarHBondContact O-CB 3.15Å; Y409-Y413 PolarHBondContact O-N 2.78Å; L410-Y413 WeakPolarHBondContact O-CB 3.5Å; L410-Y413 PolarHBondContact O-N 2.82Å; E411-Y413 VanDerWaalsContact C-N 3.35Å; E411-Y413 PolarHBondContact O-N 3.24Å; Y413-G417 VanDerWaalsContact O-CA 3.23Å; Y413-G417 WeakPolarHBondContact O-CA 3.33Å; Y413-G417 PolarHBondContact O-N 3.05Å; Y413-I418 HydrophobicContact CE2-CG1 3.61Å; Y413-I421 HydrophobicContact CD2-CG2 4.21Å; Y413-L514 WeakPolarHBondContact O-CD1 3.29Å
414L84.9Confident82.3Confident2 Ų253.5 Ų53.51%0.0124%0.241CC..Hα-helixtrans-67.2-39.8180-67.9175.2000111.9L381 I399 L410 E411 V508 I510 H511 L514 I530L381-L414 HydrophobicContact CD1-CD2 3.61Å; I399-L414 HydrophobicContact CD1-CD1 4.4Å; L410-L414 WeakPolarHBondContact O-CB 3.17Å; L410-L414 VanDerWaalsContact O-CG 3.26Å; L410-L414 WeakPolarHBondContact O-CG 3.21Å; L410-L414 PolarHBondContact O-N 3.22Å; E411-L414 PolarHBondContact O-N 2.85Å; L414-V508 HydrophobicContact CB-CG1 3.91Å; L414-V508 HydrophobicContact CD1-CG1 4.34Å; L414-I510 CarbonylContact O-C 3.58Å; L414-H511 WeakPolarHBondContact O-CB 3.35Å; L414-H511 PolarHBondContact O-N 2.73Å; L414-L514 HydrophobicContact CD2-CD1 4.4Å; L414-I530 HydrophobicContact CD1-CD1 4.22Å
415Q84.1Confident82Confident59 Ų5949.7 Ų49.728%0.27622%0.224SC..Hα-helixtrans-74.9-34.2-178.8-74.6172.7-1.400114.8E411 V508 S509 H511E411-Q415 HydrophobicContact CG-CG 4.45Å; E411-Q415 VanDerWaalsContact CG-NE2 3.34Å; E411-Q415 WeakPolarHBondContact O-CB 3.45Å; E411-Q415 VanDerWaalsContact O-CG 3.28Å; E411-Q415 WeakPolarHBondContact O-CG 3.47Å; E411-Q415 PolarHBondContact O-N 2.97Å; E411-Q415 PolarHBondContact OE1-NE2 3.43Å; Q415-V508 HydrophobicContact CG-CG1 3.91Å; Q415-S509 WeakPolarHBondContact CA-O 3.27Å; Q415-S509 WeakPolarHBondContact CG-O 3.3Å; Q415-H511 WeakPolarHBondContact O-CB 3.46Å
416R80.6Confident81.5Confident145 Ų14545.7 Ų45.755%0.54720%0.203SC..Hα-helixtrans-123.2-8.7-169.8-56.3-174.9-179.3-173.1-2.1114.8R412 S420R412-R416 PolarHBondContact O-N 2.97Å; R416-S420 VanDerWaalsContact CB-CB 3.47Å; R416-S420 WeakPolarHBondContact CD-OG 3.49Å
417G81Confident80.7Confident2 Ų250.2 Ų50.22%0.02122%0.223CC..Hα-helixtrans75.4179.7179.300000115.7Y413 Q419 S420 I421Y413-G417 VanDerWaalsContact O-CA 3.23Å; Y413-G417 WeakPolarHBondContact O-CA 3.33Å; Y413-G417 PolarHBondContact O-N 3.05Å; G417-Q419 PolarHBondContact O-N 2.95Å; G417-S420 PolarHBondContact O-N 3.08Å; G417-I421 PolarHBondContact O-N 3.38Å
418I80.6Confident79.7Confident57 Ų5753.4 Ų53.429%0.29224%0.242SC..Hα-helixtrans-60.8-41.2-169.4-63.2160000113.3I370 Y413 I421 K422I370-I418 HydrophobicContact CD1-CG2 3.35Å; I370-I418 HydrophobicContact CG1-CG2 4.23Å; Y413-I418 HydrophobicContact CE2-CG1 3.61Å; I418-I421 VanDerWaalsContact O-CG2 3.24Å; I418-I421 WeakPolarHBondContact O-CG2 3.42Å; I418-I421 PolarHBondContact O-N 2.83Å; I418-K422 PolarHBondContact O-N 2.98Å; I418-K422 VanDerWaalsContact O-N 3.13Å
419Q78.3Confident78.7Confident137 Ų13748.7 Ų48.764%0.6423%0.226SC*.Hα-helixtrans-71.9-38.7-175-65.4-62.3-13.200111.9G417 I421 K422 K423G417-Q419 PolarHBondContact O-N 2.95Å; Q419-I421 VanDerWaalsContact C-N 3.34Å; Q419-K422 PolarHBondContact O-N 3.48Å; Q419-K423 PolarHBondContact O-N 3.38Å; Q419-K423 VanDerWaalsContact O-N 3.15Å
420S76.9Confident77.4Confident37 Ų3753 Ų5326%0.25925%0.251SS..Hα-helixtrans-66.1-39176.3-175.90000111.3R416 G417 K423 F424R416-S420 VanDerWaalsContact CB-CB 3.47Å; R416-S420 WeakPolarHBondContact CD-OG 3.49Å; G417-S420 PolarHBondContact O-N 3.08Å; S420-K423 PolarHBondContact O-N 2.86Å; S420-F424 VanDerWaalsContact O-CB 3.26Å; S420-F424 WeakPolarHBondContact O-CB 3.39Å; S420-F424 PolarHBondContact O-N 2.87Å
421I79.5Confident76.2Confident4 Ų453.2 Ų53.22%0.02125%0.253CS..Hα-helixtrans-68.6-39.9179.8-158.6158.5000111.1W374 Y409 Y413 G417 I418 Q419 K423 F424 L425W374-I421 HydrophobicContact CE3-CD1 4.49Å; W374-I421 HydrophobicContact CH2-CD1 3.84Å; W374-I421 HydrophobicContact CZ3-CD1 3.81Å; W374-I421 HydrophobicContact CZ3-CG1 4.39Å; W374-I421 HydrophobicContact CZ3-CG2 4.28Å; Y409-I421 WeakPolarHBondContact O-CD1 3.38Å; Y413-I421 HydrophobicContact CD2-CG2 4.21Å; G417-I421 PolarHBondContact O-N 3.38Å; I418-I421 VanDerWaalsContact O-CG2 3.24Å; I418-I421 WeakPolarHBondContact O-CG2 3.42Å; I418-I421 PolarHBondContact O-N 2.83Å; Q419-I421 VanDerWaalsContact C-N 3.34Å; I421-K423 VanDerWaalsContact C-N 3.35Å; I421-K423 PolarHBondContact O-N 3.38Å; I421-F424 WeakPolarHBondContact O-CB 3.33Å; I421-F424 PolarHBondContact O-N 2.73Å; I421-F424 VanDerWaalsContact O-N 3.1Å; I421-L425 HydrophobicContact CG1-CD1 4.41Å; I421-L425 HydrophobicContact CG1-CG 4.24Å; I421-L425 VanDerWaalsContact O-CG 3.27Å; I421-L425 WeakPolarHBondContact O-CG 3.42Å; I421-L425 PolarHBondContact O-N 2.79Å
422K80.3Confident74.9Confident51 Ų5154.6 Ų54.622%0.22227%0.266CS..Hα-helixtrans-56.9-47.6173.8-78.2-174.1168.4-172.30112.1V368 I370 I418 Q419 F424 L425 V426V368-K422 VanDerWaalsContact O-CE 3.22Å; V368-K422 WeakPolarHBondContact O-CE 3.34Å; I370-K422 VanDerWaalsContact CG1-CE 3.49Å; I418-K422 PolarHBondContact O-N 2.98Å; I418-K422 VanDerWaalsContact O-N 3.13Å; Q419-K422 PolarHBondContact O-N 3.48Å; K422-F424 VanDerWaalsContact C-N 3.34Å; K422-F424 PolarHBondContact O-N 2.65Å; K422-L425 PolarHBondContact O-N 3.08Å; K422-V426 WeakPolarHBondContact O-CG2 3.47Å; K422-V426 PolarHBondContact O-N 2.97Å
423K77.4Confident73.8Confident93 Ų9352 Ų5240%0.40426%0.258SS..Hα-helixtrans-60.7-44.1174.5-71.6-172.4177.5-165.50111.4Q419 S420 I421 V426 Q427 E445Q419-K423 PolarHBondContact O-N 3.38Å; Q419-K423 VanDerWaalsContact O-N 3.15Å; S420-K423 PolarHBondContact O-N 2.86Å; I421-K423 VanDerWaalsContact C-N 3.35Å; I421-K423 PolarHBondContact O-N 3.38Å; K423-V426 PolarHBondContact O-N 3.31Å; K423-Q427 WeakPolarHBondContact O-CB 3.37Å; K423-Q427 VanDerWaalsContact O-CG 3.25Å; K423-Q427 WeakPolarHBondContact O-CG 3.32Å; K423-Q427 PolarHBondContact O-N 3.29Å; K423-E445 IonicContact NZ-OE1 3.94Å
424F78.1Confident72.4Confident39 Ų3952 Ų5217%0.17126%0.258CS..Hα-helixtrans-62.3-45-179.7175.6-96.8000112.5Y409 R412 S420 I421 K422 V426 Q427 T428Y409-F424 HydrophobicContact CE1-CE1 4.12Å; R412-F424 VanDerWaalsContact NH1-CE1 3.29Å; R412-F424 VanDerWaalsContact NH1-CE2 3.25Å; S420-F424 VanDerWaalsContact O-CB 3.26Å; S420-F424 WeakPolarHBondContact O-CB 3.39Å; S420-F424 PolarHBondContact O-N 2.87Å; I421-F424 WeakPolarHBondContact O-CB 3.33Å; I421-F424 PolarHBondContact O-N 2.73Å; I421-F424 VanDerWaalsContact O-N 3.1Å; K422-F424 VanDerWaalsContact C-N 3.34Å; K422-F424 PolarHBondContact O-N 2.65Å; F424-V426 VanDerWaalsContact C-N 3.33Å; F424-V426 PolarHBondContact O-N 3.15Å; F424-Q427 PolarHBondContact O-N 3.44Å; F424-T428 WeakPolarHBondContact CE1-OG1 3.45Å; F424-T428 WeakPolarHBondContact CE2-OG1 3.29Å; F424-T428 HydrophobicContact CZ-CG2 4.11Å; F424-T428 WeakPolarHBondContact CZ-OG1 3.33Å; F424-T428 WeakPolarHBondContact O-CB 3.44Å; F424-T428 PolarHBondContact O-N 2.82Å; F424-T428 PolarHBondContact O-OG1 3.32Å
425L75.9Confident71.1Confident9 Ų956 Ų565%0.04728%0.277CS..Hα-helixtrans-61.2-43178.4-67.7176.5000111D300 V302 V368 Y409 I421 K422 S429D300-L425 HydrophobicContact CB-CD1 4.19Å; D300-L425 HydrophobicContact CB-CD2 3.93Å; D300-L425 WeakPolarHBondContact OD2-CD2 3.49Å; V302-L425 HydrophobicContact CB-CB 4.41Å; V302-L425 HydrophobicContact CG2-CB 3.96Å; V368-L425 HydrophobicContact CG1-CD1 4.18Å; Y409-L425 HydrophobicContact CD1-CD2 4.47Å; Y409-L425 HydrophobicContact CE1-CD2 4.11Å; I421-L425 HydrophobicContact CG1-CD1 4.41Å; I421-L425 HydrophobicContact CG1-CG 4.24Å; I421-L425 VanDerWaalsContact O-CG 3.27Å; I421-L425 WeakPolarHBondContact O-CG 3.42Å; I421-L425 PolarHBondContact O-N 2.79Å; K422-L425 PolarHBondContact O-N 3.08Å; L425-S429 PolarHBondContact O-N 2.97Å
426V73.2Confident69.6Low9 Ų955.2 Ų55.26%0.05528%0.281CS..Hα-helixtrans-64.9-43.8174.8175.10000111.3L366 V368 K422 K423 F424 T428 S429 L434 K438L366-V426 HydrophobicContact CD1-CG1 4.14Å; L366-V426 HydrophobicContact CD1-CG2 4.37Å; V368-V426 HydrophobicContact CG2-CG2 3.96Å; K422-V426 WeakPolarHBondContact O-CG2 3.47Å; K422-V426 PolarHBondContact O-N 2.97Å; K423-V426 PolarHBondContact O-N 3.31Å; F424-V426 VanDerWaalsContact C-N 3.33Å; F424-V426 PolarHBondContact O-N 3.15Å; V426-T428 VanDerWaalsContact C-N 3.33Å; V426-T428 PolarHBondContact O-N 3.32Å; V426-S429 PolarHBondContact O-N 2.98Å; V426-S429 PolarHBondContact O-OG 2.9Å; V426-L434 HydrophobicContact CG1-CD2 4.36Å; V426-K438 WeakPolarHBondContact O-CE 3.26Å
427Q68.4Low68.4Low101 Ų10150.5 Ų50.547%0.47227%0.265SS..Hα-helixtrans-68.3-29-178.9-76177.40.900114K423 F424 K438K423-Q427 WeakPolarHBondContact O-CB 3.37Å; K423-Q427 VanDerWaalsContact O-CG 3.25Å; K423-Q427 WeakPolarHBondContact O-CG 3.32Å; K423-Q427 PolarHBondContact O-N 3.29Å; F424-Q427 PolarHBondContact O-N 3.44Å; Q427-K438 WeakPolarHBondContact O-CE 3.49Å; Q427-K438 PolarHBondContact O-NZ 3.35Å
428T64.5Low67.1Low72 Ų7253.1 Ų53.144%0.44228%0.276SS..Hα-helixtrans-83.4-23.4-177.3-52.30000112.1F424 V426F424-T428 WeakPolarHBondContact CE1-OG1 3.45Å; F424-T428 WeakPolarHBondContact CE2-OG1 3.29Å; F424-T428 HydrophobicContact CZ-CG2 4.11Å; F424-T428 WeakPolarHBondContact CZ-OG1 3.33Å; F424-T428 WeakPolarHBondContact O-CB 3.44Å; F424-T428 PolarHBondContact O-N 2.82Å; F424-T428 PolarHBondContact O-OG1 3.32Å; V426-T428 VanDerWaalsContact C-N 3.33Å; V426-T428 PolarHBondContact O-N 3.32Å
429S61.5Low66Low7 Ų756.2 Ų56.25%0.04929%0.292CS..  trans-65.6139.1-178.569.60000113.6L425 V426 L431 L434 K438L425-S429 PolarHBondContact O-N 2.97Å; V426-S429 PolarHBondContact O-N 2.98Å; V426-S429 PolarHBondContact O-OG 2.9Å; S429-L431 VanDerWaalsContact C-N 3.3Å; S429-L434 VanDerWaalsContact OG-CB 3.25Å; S429-L434 WeakPolarHBondContact OG-CB 3.38Å; S429-L434 WeakPolarHBondContact OG-CD1 3.22Å; S429-K438 WeakPolarHBondContact O-CE 3.32Å; S429-K438 PolarHBondContact O-NZ 3.13Å
430D59.5Low65Low132 Ų13253.8 Ų53.871%0.70628%0.282SS*.  trans-89.64.8173-71.8-32.4000113.1
431L60.3Low64Low7 Ų755.1 Ų55.14%0.03728%0.284CS..  trans-62.1125.5179.7-73.8168.6000110.1L305 T306 E309 S429 E433 L434 Q435L305-L431 HydrophobicContact CD2-CD1 4Å; L305-L431 HydrophobicContact CG-CD1 4.22Å; T306-L431 HydrophobicContact CG2-CD1 3.69Å; T306-L431 HydrophobicContact CG2-CD2 4.46Å; T306-L431 HydrophobicContact CG2-CG 3.74Å; E309-L431 HydrophobicContact CB-CD2 4.19Å; E309-L431 HydrophobicContact CG-CD2 4.43Å; E309-L431 WeakPolarHBondContact OE2-CD2 3.12Å; S429-L431 VanDerWaalsContact C-N 3.3Å; L431-E433 PolarHBondContact O-N 3.36Å; L431-E433 VanDerWaalsContact O-N 3.14Å; L431-L434 HydrophobicContact CB-CB 4.21Å; L431-L434 HydrophobicContact CB-CD1 4.02Å; L431-L434 HydrophobicContact CB-CG 4.04Å; L431-L434 HydrophobicContact CD1-CD1 3.77Å; L431-L434 HydrophobicContact CD1-CG 4.47Å; L431-L434 HydrophobicContact CG-CD1 4.47Å; L431-L434 PolarHBondContact O-N 2.95Å; L431-Q435 PolarHBondContact O-N 3.4Å
432P58.9Low62.9Low85 Ų8560.9 Ų60.955%0.55231%0.309SS*.Hα-helixtrans-54.8-37.4-178-24.131.1000112.4L434 Q435 A436P432-L434 VanDerWaalsContact C-N 3.34Å; P432-L434 PolarHBondContact O-N 3.41Å; P432-Q435 PolarHBondContact O-N 3.02Å; P432-A436 PolarHBondContact O-N 2.96Å
433E60.2Low61.6Low44 Ų4460.9 Ų60.921%0.20632%0.316CS..Hα-helixtrans-66.6-34.3-179.9-63.4176.9172.900112.7Y358 Y361 L431Y358-E433 PolarHBondContact OH-OE2 3.4Å; Y361-E433 VanDerWaalsContact CE2-OE2 3.26Å; Y361-E433 WeakPolarHBondContact CE2-OE2 3.45Å; Y361-E433 PolarHBondContact OH-OE1 3.04Å; Y361-E433 PolarHBondContact OH-OE2 3.33Å; L431-E433 PolarHBondContact O-N 3.36Å; L431-E433 VanDerWaalsContact O-N 3.14Å
434L57.4Low60.5Low0 Ų060.8 Ų60.80%032%0.319CS..Hα-helixtrans-80.5-30.3176.7-63.5179.4000111.5V302 Y358 L366 V426 S429 L431 P432 A436 H437 K438V302-L434 HydrophobicContact CG1-CD1 4.14Å; Y358-L434 HydrophobicContact CE1-CD2 4.05Å; L366-L434 HydrophobicContact CD1-CD2 4.14Å; L366-L434 HydrophobicContact CD2-CD2 3.25Å; L366-L434 HydrophobicContact CG-CD2 4.29Å; V426-L434 HydrophobicContact CG1-CD2 4.36Å; S429-L434 VanDerWaalsContact OG-CB 3.25Å; S429-L434 WeakPolarHBondContact OG-CB 3.38Å; S429-L434 WeakPolarHBondContact OG-CD1 3.22Å; L431-L434 HydrophobicContact CB-CB 4.21Å; L431-L434 HydrophobicContact CB-CD1 4.02Å; L431-L434 HydrophobicContact CB-CG 4.04Å; L431-L434 HydrophobicContact CD1-CD1 3.77Å; L431-L434 HydrophobicContact CD1-CG 4.47Å; L431-L434 HydrophobicContact CG-CD1 4.47Å; L431-L434 PolarHBondContact O-N 2.95Å; P432-L434 VanDerWaalsContact C-N 3.34Å; P432-L434 PolarHBondContact O-N 3.41Å; L434-A436 VanDerWaalsContact C-N 3.32Å; L434-A436 PolarHBondContact O-N 3.05Å; L434-H437 WeakPolarHBondContact O-CA 3.4Å; L434-H437 WeakPolarHBondContact O-CB 3.31Å; L434-H437 PolarHBondContact O-N 2.97Å; L434-H437 VanDerWaalsContact O-N 3.14Å; L434-K438 WeakPolarHBondContact O-CG 3.49Å; L434-K438 PolarHBondContact O-N 3.4Å
435Q56.7Low59.1Low86 Ų8663.7 Ų63.740%0.40233%0.333SS..Hα-helixtrans-62.1-37.8172.5-68.4-177.2-2.400112.4L431 P432 H437 K438 I439L431-Q435 PolarHBondContact O-N 3.4Å; P432-Q435 PolarHBondContact O-N 3.02Å; Q435-H437 VanDerWaalsContact C-N 3.3Å; Q435-H437 PolarHBondContact O-N 3.28Å; Q435-K438 WeakPolarHBondContact O-CB 3.4Å; Q435-K438 PolarHBondContact O-N 2.98Å; Q435-K438 VanDerWaalsContact O-N 3.11Å; Q435-I439 PolarHBondContact O-N 3.29Å
436A52.6Low57.8Low43 Ų4368.7 Ų68.736%0.35536%0.359SS..Hα-helixtrans-59.9-41.8172.400000111.6P432 L434 K438 I439 I440P432-A436 PolarHBondContact O-N 2.96Å; L434-A436 VanDerWaalsContact C-N 3.32Å; L434-A436 PolarHBondContact O-N 3.05Å; A436-K438 VanDerWaalsContact C-N 3.34Å; A436-K438 PolarHBondContact O-N 3.1Å; A436-I439 PolarHBondContact O-N 3.17Å; A436-I440 WeakPolarHBondContact O-CG1 3.3Å; A436-I440 PolarHBondContact O-N 3.18Å; A436-I440 VanDerWaalsContact O-N 3.1Å
437H54.6Low56.2Low46 Ų4674.7 Ų74.721%0.21339%0.389CS..Hα-helixtrans-63-35.9172.7-100.3-72.3000113K364 L366 L434 Q435 I439 I440 Q441K364-H437 PolarHBondContact O-NE2 2.67Å; L366-H437 HydrophobicContact CD1-CB 4.06Å; L434-H437 WeakPolarHBondContact O-CA 3.4Å; L434-H437 WeakPolarHBondContact O-CB 3.31Å; L434-H437 PolarHBondContact O-N 2.97Å; L434-H437 VanDerWaalsContact O-N 3.14Å; Q435-H437 VanDerWaalsContact C-N 3.3Å; Q435-H437 PolarHBondContact O-N 3.28Å; H437-I439 VanDerWaalsContact C-N 3.27Å; H437-I439 PolarHBondContact O-N 2.93Å; H437-I440 PolarHBondContact O-N 3.35Å; H437-Q441 WeakPolarHBondContact O-CB 3.4Å; H437-Q441 PolarHBondContact O-N 2.95Å
438K54.8Low54.9Low56 Ų5675.7 Ų75.724%0.24340%0.397CS..Hα-helixtrans-59.4-39.5174.2-62.5178.7-158.4-1770111.5V426 Q427 S429 L434 Q435 A436 K442V426-K438 WeakPolarHBondContact O-CE 3.26Å; Q427-K438 WeakPolarHBondContact O-CE 3.49Å; Q427-K438 PolarHBondContact O-NZ 3.35Å; S429-K438 WeakPolarHBondContact O-CE 3.32Å; S429-K438 PolarHBondContact O-NZ 3.13Å; L434-K438 WeakPolarHBondContact O-CG 3.49Å; L434-K438 PolarHBondContact O-N 3.4Å; Q435-K438 WeakPolarHBondContact O-CB 3.4Å; Q435-K438 PolarHBondContact O-N 2.98Å; Q435-K438 VanDerWaalsContact O-N 3.11Å; A436-K438 VanDerWaalsContact C-N 3.34Å; A436-K438 PolarHBondContact O-N 3.1Å; K438-K442 WeakPolarHBondContact O-CB 3.48Å; K438-K442 PolarHBondContact O-N 3.5Å; K438-K442 VanDerWaalsContact O-N 3.15Å
439I56.4Low53.9Low123 Ų12377.7 Ų77.763%0.63141%0.409SS*.Hα-helixtrans-68.2-46.4178.9-61.8168000109.6Q435 A436 H437 K442 S443Q435-I439 PolarHBondContact O-N 3.29Å; A436-I439 PolarHBondContact O-N 3.17Å; H437-I439 VanDerWaalsContact C-N 3.27Å; H437-I439 PolarHBondContact O-N 2.93Å; I439-K442 PolarHBondContact O-N 3.15Å; I439-S443 PolarHBondContact O-N 3.14Å; I439-S443 PolarHBondContact O-OG 3.47Å; I439-S443 VanDerWaalsContact O-OG 3.12Å
440I58.4Low52.8Low86 Ų8685.6 Ų85.644%0.44144%0.443SS..Hα-helixtrans-64.9-45.2-178.9-64.2166.8000111.9A436 H437 S443 L444A436-I440 WeakPolarHBondContact O-CG1 3.3Å; A436-I440 PolarHBondContact O-N 3.18Å; A436-I440 VanDerWaalsContact O-N 3.1Å; H437-I440 PolarHBondContact O-N 3.35Å; I440-S443 VanDerWaalsContact C-OG 3.31Å; I440-S443 VanDerWaalsContact CA-OG 3.29Å; I440-S443 WeakPolarHBondContact CA-OG 3.42Å; I440-S443 PolarHBondContact O-N 3.23Å; I440-S443 PolarHBondContact O-OG 3.45Å; I440-L444 HydrophobicContact CG2-CD1 3.84Å; I440-L444 PolarHBondContact O-N 2.87Å
441Q55.3Low51.2Low65 Ų6584.9 Ų84.930%0.30445%0.447SS..Hα-helixtrans-64-41.5176.7-89-171.3-17.100112.1H437 S443 L444 E445H437-Q441 WeakPolarHBondContact O-CB 3.4Å; H437-Q441 PolarHBondContact O-N 2.95Å; Q441-S443 VanDerWaalsContact C-N 3.31Å; Q441-S443 PolarHBondContact O-N 3.5Å; Q441-L444 PolarHBondContact O-N 3.41Å; Q441-E445 PolarHBondContact O-N 2.74Å
442K55.6Low49.7Very low124 Ų12490.3 Ų90.354%0.53949%0.485SS..Hα-helixtrans-60.5-42.5174.5-111.9177.1173.8177.50111.5K438 I439 L446K438-K442 WeakPolarHBondContact O-CB 3.48Å; K438-K442 PolarHBondContact O-N 3.5Å; K438-K442 VanDerWaalsContact O-N 3.15Å; I439-K442 PolarHBondContact O-N 3.15Å; K442-L446 WeakPolarHBondContact O-CB 3.49Å; K442-L446 WeakPolarHBondContact O-CD1 3.44Å; K442-L446 PolarHBondContact O-N 3.45Å
443S54.2Low48.2Very low52 Ų5290.1 Ų90.136%0.36450%0.499SS..Hα-helixtrans-64.9-38175.947.70000112.7I439 I440 Q441 L446 M447I439-S443 PolarHBondContact O-N 3.14Å; I439-S443 PolarHBondContact O-OG 3.47Å; I439-S443 VanDerWaalsContact O-OG 3.12Å; I440-S443 VanDerWaalsContact C-OG 3.31Å; I440-S443 VanDerWaalsContact CA-OG 3.29Å; I440-S443 WeakPolarHBondContact CA-OG 3.42Å; I440-S443 PolarHBondContact O-N 3.23Å; I440-S443 PolarHBondContact O-OG 3.45Å; Q441-S443 VanDerWaalsContact C-N 3.31Å; Q441-S443 PolarHBondContact O-N 3.5Å; S443-L446 PolarHBondContact O-N 2.86Å; S443-M447 WeakPolarHBondContact O-CG 3.49Å; S443-M447 PolarHBondContact O-N 3.33Å
444L53.8Low46.9Very low90 Ų9097 Ų9747%0.47153%0.531SS..Hα-helixtrans-68.9-40.3176.7-84.1155.9000112.7I440 Q441 L446 M447 N448I440-L444 HydrophobicContact CG2-CD1 3.84Å; I440-L444 PolarHBondContact O-N 2.87Å; Q441-L444 PolarHBondContact O-N 3.41Å; L444-L446 VanDerWaalsContact C-N 3.32Å; L444-L446 PolarHBondContact O-N 2.94Å; L444-M447 PolarHBondContact O-N 3.49Å; L444-N448 WeakPolarHBondContact O-CB 3.07Å; L444-N448 PolarHBondContact O-N 3Å
445E47.9Very low45.5Very low100 Ų100102.4 Ų102.447%0.46757%0.569SS.*Hα-helixtrans-67-33.5174.8-72.5-179.9169.700111.6K423 Q441 T449K423-E445 IonicContact NZ-OE1 3.94Å; Q441-E445 PolarHBondContact O-N 2.74Å; E445-T449 WeakPolarHBondContact O-CG2 3.47Å; E445-T449 PolarHBondContact O-N 3.16Å; E445-T449 PolarHBondContact O-OG1 3Å
446L50.2Low44.4Very low114 Ų114103.7 Ų103.760%0.59759%0.587SS**Hα-helixtrans-71.8-24.5171.7-87.9151.3000113.8K442 S443 L444 T449K442-L446 WeakPolarHBondContact O-CB 3.49Å; K442-L446 WeakPolarHBondContact O-CD1 3.44Å; K442-L446 PolarHBondContact O-N 3.45Å; S443-L446 PolarHBondContact O-N 2.86Å; L444-L446 VanDerWaalsContact C-N 3.32Å; L444-L446 PolarHBondContact O-N 2.94Å; L446-T449 PolarHBondContact O-OG1 3.46Å
447M38.1Very low43.5Very low136 Ų136108 Ų10867%0.6761%0.609SS**Hα-helixtrans-88.6-38.2176.3-74.6-166.117500112.9S443 L444 T449 K450S443-M447 WeakPolarHBondContact O-CG 3.49Å; S443-M447 PolarHBondContact O-N 3.33Å; L444-M447 PolarHBondContact O-N 3.49Å; M447-T449 VanDerWaalsContact C-N 3.31Å; M447-T449 PolarHBondContact O-N 2.94Å; M447-K450 PolarHBondContact O-N 3.35Å
448N43Very low42.6Very low121 Ų121110.2 Ų110.265%0.64763%0.626SS**Hα-helixtrans-74.3-18.3179.6-79.5-10.1000113.9L444 K450L444-N448 WeakPolarHBondContact O-CB 3.07Å; L444-N448 PolarHBondContact O-N 3Å; N448-K450 PolarHBondContact O-N 2.92Å
449T42.1Very low41.6Very low114 Ų114112.9 Ų112.970%0.69964%0.643SS**THydrogen-bonded Turntrans-78.40.3171.843.10000113.5E445 L446 M447E445-T449 WeakPolarHBondContact O-CG2 3.47Å; E445-T449 PolarHBondContact O-N 3.16Å; E445-T449 PolarHBondContact O-OG1 3Å; L446-T449 PolarHBondContact O-OG1 3.46Å; M447-T449 VanDerWaalsContact C-N 3.31Å; M447-T449 PolarHBondContact O-N 2.94Å
450K38.1Very low40.7Very low174 Ų174114.7 Ų114.776%0.75765%0.653SS**THydrogen-bonded Turntrans-110.52.1-178.8-74.4-174.6174.3-177.90115.8M447 N448M447-K450 PolarHBondContact O-N 3.35Å; N448-K450 PolarHBondContact O-N 2.92Å
451C26.2Very low40.2Very low116 Ų116115.9 Ų115.978%0.78466%0.664SS**SBendtrans-134.870.8-178.8-69.80000112.8
452S28.4Very low39.8Very low122 Ų122118.3 Ų118.385%0.85368%0.675SS**  trans-163113.8152.7520000109.4
453G28.3Very low39.1Very low81 Ų81119 Ų11984%0.83568%0.683SS**  trans142.588.1176.600000112.7
454E31.9Very low38.3Very low188 Ų188121.6 Ų121.688%0.87970%0.701SS**  trans-59.9135.8170.9-73.9173.5146.600111.8
455S29.2Very low37.4Very low113 Ų113124.9 Ų124.979%0.7971%0.711SS**  trans34.597.815153.20000119
456S33Very low36.9Very low113 Ų113129.5 Ų129.579%0.7973%0.73SS**  trans-153.2132.2130.246.90000109.7T458S456-T458 PolarHBondContact O-N 2.76Å
457V34.4Very low36Very low133 Ų133133.8 Ų133.881%0.80674%0.739SS**  trans-64.9116.5-176.4176.30000109.4
458T36Very low35.4Very low93 Ų93135.4 Ų135.457%0.57175%0.745SS**  trans-142139158.657.70000112.3S456 Q462S456-T458 PolarHBondContact O-N 2.76Å; T458-Q462 PolarHBondContact OG1-OE1 3.42Å
459N33.8Very low34.6Very low113 Ų113136.8 Ų136.860%0.60475%0.746SS**  trans-70.9155.6-161.8-62.6-32.1000114.2T461 Q462N459-T461 PolarHBondContact O-N 2.8Å; N459-Q462 PolarHBondContact O-N 2.72Å
460L36.8Very low33.9Very low161 Ų161139.2 Ų139.284%0.84376%0.755SS**G310 helixtrans-46.3-23.7-177.5-101.8112.5000115.8Q462L460-Q462 VanDerWaalsContact C-N 3.27Å; L460-Q462 PolarHBondContact O-N 2.81Å
461T47.7Very low33.3Very low111 Ų111139.1 Ų139.168%0.68176%0.757SS**G310 helixtrans-70.1-17.1177.44.40000114.1N459N459-T461 PolarHBondContact O-N 2.8Å
462Q47.1Very low33.4Very low115 Ų115140.4 Ų140.454%0.53776%0.755SS.*G310 helixtrans-89.5-15.4-177.9-65.5-174.9-3.400114.1T458 N459 L460T458-Q462 PolarHBondContact OG1-OE1 3.42Å; N459-Q462 PolarHBondContact O-N 2.72Å; L460-Q462 VanDerWaalsContact C-N 3.27Å; L460-Q462 PolarHBondContact O-N 2.81Å
463I41.4Very low33.4Very low138 Ų138144.2 Ų144.271%0.70876%0.757SS**THydrogen-bonded Turntrans-82.8-27179-68.8171.6000111.9K465I463-K465 VanDerWaalsContact C-N 3.34Å
464C37.2Very low33.5Very low107 Ų107147.9 Ų147.972%0.72375%0.752SS**G310 helixtrans-79.3-12.2175-75.90000114.3
465K34.4Very low33.4Very low160 Ų160145.5 Ų145.570%0.69675%0.745SS**G310 helixtrans-91.60.5179.9-77-170.2173.3-171.30115.4I463I463-K465 VanDerWaalsContact C-N 3.34Å
466K38Very low33.5Very low196 Ų196146.9 Ų146.985%0.85274%0.744SS**G310 helixtrans-86.35.3169.7-87.5-177.5174.2177.30113.8
467Y31.4Very low33.4Very low204 Ų204148.3 Ų148.380%0.874%0.743SS**SBendtrans-121109.4161.9-81.5-90.9000106.4
468Q25Very low33.3Very low170 Ų170147 Ų14779%0.79474%0.74SS**SBendtrans91.6138.2-177-60.6171.9-2800116.6
469F26.6Very low33.1Very low151 Ų151147.7 Ų147.766%0.66275%0.748SS**  trans85.8121.4-161.3-68.7-89.7000112.9E471 L472F469-E471 VanDerWaalsContact CD1-O 3.27Å; F469-E471 WeakPolarHBondContact CD1-O 3.49Å; F469-L472 HydrophobicContact CD1-CD1 4.19Å; F469-L472 HydrophobicContact CE1-CD1 3.9Å; F469-L472 HydrophobicContact CE1-CG 4.25Å
470D27.2Very low33Very low165 Ų165147.4 Ų147.488%0.88276%0.755SS**  cis-118.6105.346-62.9-37.5000115.4
471E25.7Very low32.6Very low172 Ų172145.1 Ų145.180%0.80475%0.752SS**  trans-104.1131.5131.2-79.4-179.8156.800105.2F469F469-E471 VanDerWaalsContact CD1-O 3.27Å; F469-E471 WeakPolarHBondContact CD1-O 3.49Å
472L27.9Very low32Very low142 Ų142145.3 Ų145.374%0.74376%0.758SS**  trans173.1107.5153.7-94167.8000109.4F469F469-L472 HydrophobicContact CD1-CD1 4.19Å; F469-L472 HydrophobicContact CE1-CD1 3.9Å; F469-L472 HydrophobicContact CE1-CG 4.25Å
473F28.5Very low31.2Very low203 Ų203149.2 Ų149.289%0.8978%0.776SS**  trans-141.299.9145.8-93.6-73.8000108
474E30.9Very low30.4Very low157 Ų157151 Ų15173%0.73478%0.782SS**  trans30.7117.4141.1-61-178.3167.100120.9
475D29.8Very low30Very low138 Ų138154.1 Ų154.174%0.73879%0.791SS**  56.5100.8128.7-55.2-14000120.6
476N30Very low29.4Very low143 Ų143151.3 Ų151.377%0.76579%0.791SS**  168.2126.7107-85.2-43.7000112.5
477D31.1Very low28.8Very low142 Ų142148.1 Ų148.176%0.75979%0.788SS**  trans60116.2145.2-61.2-26.3000123.1
478S32.1Very low28.5Very low107 Ų107146.3 Ų146.375%0.74879%0.789SS**  trans9298.9133.469.70000121.4
479S32.4Very low28.5Very low106 Ų106145.5 Ų145.574%0.74179%0.785SS**  83.7125.8124.964.10000123.1
480S32.3Very low28.4Very low107 Ų107145.3 Ų145.375%0.74879%0.791SS**  trans73.7102.9155.164.90000118.2
481S28.7Very low28.4Very low113 Ų113142.5 Ų142.579%0.7978%0.78SS**  78.493.261.776.30000115.4
482S34.1Very low28.5Very low116 Ų116142.3 Ų142.381%0.81178%0.779SS**  trans-178.2102.6136.353.90000112.2
483E31.1Very low28.3Very low196 Ų196145.2 Ų145.292%0.91679%0.785SS**  trans52.697.8138-59.2-175.8175.700120.4
484E24.1Very low28.3Very low177 Ų177142.2 Ų142.283%0.82778%0.778SS**  trans-77.1137.3159.2-64.1179.8147.200111.5
485N28Very low28.2Very low171 Ų171140.7 Ų140.791%0.91478%0.779SS**  trans-128.8112.2151.4-98.8-37.9000108.5
486C23.4Very low28Very low102 Ų102141.3 Ų141.369%0.68978%0.782SS**  trans-66.1128.4-173-57.10000113.7
487T24.6Very low28.1Very low128 Ų128142.2 Ų142.279%0.78579%0.787SS**  trans-111109.8146.845.80000107.9E489T487-E489 PolarHBondContact O-N 3.2Å
488M25.1Very low28.3Very low167 Ų167142 Ų14282%0.82379%0.786SS**  trans-66.991.3175.2-76.9-115.4171.500110.4
489E24.8Very low29.3Very low153 Ų153143 Ų14372%0.71578%0.783SS**  trans-82.899.6153.5-71.7-173.3163.500107.7T487 T491T487-E489 PolarHBondContact O-N 3.2Å; E489-T491 PolarHBondContact O-N 3.4Å
490N24.9Very low30.7Very low146 Ų146144.8 Ų144.878%0.78177%0.773SS**  trans-74.476.2161.9-78.1-11.5000108.1E492N490-E492 PolarHBondContact O-N 3.26Å
491T27.5Very low32.6Very low107 Ų107141.4 Ų141.466%0.65675%0.747SS**  trans-71.997.4154.833.20000106.7E489 K493E489-T491 PolarHBondContact O-N 3.4Å; T491-K493 PolarHBondContact O-N 3.39Å
492E27.4Very low34.6Very low167 Ų167136.2 Ų136.278%0.7871%0.71SS**  trans-59107.6158.8-76.9-178.4173.100106.7N490 I494N490-E492 PolarHBondContact O-N 3.26Å; E492-I494 PolarHBondContact O-N 3.24Å
493K24.4Very low36.3Very low203 Ų203132.9 Ų132.988%0.88368%0.683SS**  trans-58.484.8166.6-71.4175.4176.6175.50108.1T491 T495T491-K493 PolarHBondContact O-N 3.39Å; K493-T495 PolarHBondContact O-N 3.47Å
494I28.3Very low38.2Very low141 Ų141124.3 Ų124.372%0.72365%0.647SS**  trans-77.5112162-62.3175.5000105.5E492 N496E492-I494 PolarHBondContact O-N 3.24Å; I494-N496 PolarHBondContact O-N 3.35Å
495T28.1Very low40.7Very low125 Ų125116.2 Ų116.277%0.76761%0.61SS**  trans-43.5127.7175.846.40000112.4K493 N497K493-T495 PolarHBondContact O-N 3.47Å; T495-N497 PolarHBondContact O-N 3.23Å
496N26Very low43.2Very low151 Ų151112.4 Ų112.481%0.80759%0.587SS**  trans-41.3116169.4-66.4-27.6000112.5I494I494-N496 PolarHBondContact O-N 3.35Å
497N31.8Very low46Very low161 Ų161112.2 Ų112.286%0.86158%0.576SS**  trans-150.5102.7151.2-97.9-18.7000107.7T495 N499T495-N497 PolarHBondContact O-N 3.23Å; N497-N499 PolarHBondContact O-N 3.02Å
498D35.6Very low48.6Very low139 Ų139106.4 Ų106.474%0.74354%0.54SS*.  trans-67.988-177.9-77.3-45.3000112.4
499N53.3Low51Low126 Ų126102.6 Ų102.667%0.67453%0.53SS*.  trans-144.673.8160.6-86.1-32.3000109.3N497 L501N497-N499 PolarHBondContact O-N 3.02Å; N499-L501 PolarHBondContact O-N 3.45Å
500R61.2Low53.4Low145 Ų14596.7 Ų96.755%0.54750%0.503SS..PPolyproline II helixtrans-65.1117.4-179.6-70.5-178.5-177.71694.6110.5
501L71.5Confident55.4Low36 Ų3693 Ų9319%0.18848%0.481CS..PPolyproline II helixtrans-72.4156.8177.3-71.5162.5000111.9N499 C505 E507 I529 L573N499-L501 PolarHBondContact O-N 3.45Å; L501-C505 HydrophobicContact CB-CB 4.09Å; L501-E507 HydrophobicContact CD1-CB 3.65Å; L501-I529 HydrophobicContact CD2-CD1 3.82Å; L501-I529 HydrophobicContact CD2-CG1 4.4Å; L501-L573 HydrophobicContact CD2-CD2 3.86Å
502P70.5Confident57.1Low3 Ų390.2 Ų90.22%0.01946%0.464CS..PPolyproline II helixtrans-56.7152.6169.4-21.132.1000112.1G504 C505 I559 V569 V572P502-G504 PolarHBondContact O-N 2.91Å; P502-C505 WeakPolarHBondContact O-CB 3.5Å; P502-C505 PolarHBondContact O-N 2.84Å; P502-C505 VanDerWaalsContact O-N 3.09Å; P502-I559 HydrophobicContact CB-CG2 4.49Å; P502-I559 HydrophobicContact CG-CG2 4.43Å; P502-V569 HydrophobicContact CB-CG2 3.94Å; P502-V569 HydrophobicContact CG-CG2 4.34Å; P502-V572 HydrophobicContact CG-CB 4.49Å; P502-V572 HydrophobicContact CG-CG1 4.14Å
503L70Confident58.8Low47 Ų4785.7 Ų85.725%0.24645%0.451CS..THydrogen-bonded Turntrans-53133.2175.8-169.770.5000111.9C505 F544 Q560 G563L503-C505 VanDerWaalsContact C-N 3.3Å; L503-C505 PolarHBondContact O-N 3.13Å; L503-F544 HydrophobicContact CD1-CE1 4.38Å; L503-F544 HydrophobicContact CD1-CZ 4.1Å; L503-Q560 WeakPolarHBondContact CB-O 3.41Å; L503-G563 CarbonylContact O-C 3.59Å
504G70.9Confident60.6Low16 Ų1676.6 Ų76.617%0.16541%0.412CS..THydrogen-bonded Turntrans82.1-0.2-179.100000115.1P502 R531 V532P502-G504 PolarHBondContact O-N 2.91Å; G504-R531 WeakPolarHBondContact O-CA 3.43Å; G504-V532 PolarHBondContact O-N 3.02Å
505C78.5Confident62.2Low7 Ų771.3 Ų71.35%0.04739%0.385CS..EExtended strand (participates in β ladder)trans-99.1128.7173.2-62.90000110.9L501 P502 L503 I529 I530L501-C505 HydrophobicContact CB-CB 4.09Å; P502-C505 WeakPolarHBondContact O-CB 3.5Å; P502-C505 PolarHBondContact O-N 2.84Å; P502-C505 VanDerWaalsContact O-N 3.09Å; L503-C505 VanDerWaalsContact C-N 3.3Å; L503-C505 PolarHBondContact O-N 3.13Å; C505-I529 HydrophobicContact CB-CG2 3.74Å; C505-I530 CarbonylContact C-O 3.48Å; C505-I530 WeakPolarHBondContact CA-O 3.21Å
506H79.4Confident63.6Low91 Ų9169.7 Ų69.742%0.42137%0.371SS..EExtended strand (participates in β ladder)trans-123.2123.4177.6-59.9-64.7000109.9I529 I530H506-I529 WeakPolarHBondContact O-CA 3.36Å; H506-I530 PolarHBondContact N-O 2.99Å; H506-I530 PolarHBondContact O-N 3.32Å
507E82.3Confident64.7Low97 Ų9767.5 Ų67.545%0.45337%0.367SS..EExtended strand (participates in β ladder)trans-81.5132173.8175.3165.8-173.200110.2L501 R527 I528L501-E507 HydrophobicContact CD1-CB 3.65Å; E507-R527 WeakPolarHBondContact OE1-CG 3.46Å; E507-R527 IonicContact OE1-NE 3.64Å; E507-R527 PolarHBondContact OE1-NE 2.89Å; E507-R527 IonicContact OE2-CZ 3.89Å; E507-R527 IonicContact OE2-NE 3.83Å; E507-R527 PolarHBondContact OE2-NE 3.3Å; E507-R527 IonicContact OE2-NH2 2.92Å; E507-R527 PolarHBondContact OE2-NH2 3.4Å; E507-I528 WeakPolarHBondContact CA-O 3.44Å
508V79.9Confident65.1Low7 Ų764.2 Ų64.24%0.04236%0.357CS..  trans-121.9123-170.8-175.50000110.7E411 L414 Q415 I528 I530E411-V508 HydrophobicContact CB-CG2 4.4Å; E411-V508 HydrophobicContact CG-CG1 4.16Å; E411-V508 HydrophobicContact CG-CG2 3.95Å; L414-V508 HydrophobicContact CB-CG1 3.91Å; L414-V508 HydrophobicContact CD1-CG1 4.34Å; Q415-V508 HydrophobicContact CG-CG1 3.91Å; V508-I528 PolarHBondContact N-O 3.39Å; V508-I530 HydrophobicContact CG2-CD1 3.69Å; V508-I530 HydrophobicContact CG2-CG1 3.87Å
509S75.5Confident65.3Low86 Ų8665.3 Ų65.360%0.60136%0.363SS*.PPolyproline II helixtrans-78.3124.1169.459.90000110.7Q415Q415-S509 WeakPolarHBondContact CA-O 3.27Å; Q415-S509 WeakPolarHBondContact CG-O 3.3Å
510I75.5Confident65.1Low29 Ų2964.1 Ų64.115%0.14936%0.356CS..PPolyproline II helixtrans-82.9138.7179.6-54.6167.9000111.3L414 L514 L515 I528L414-I510 CarbonylContact O-C 3.58Å; I510-L514 HydrophobicContact CG2-CB 4.14Å; I510-L514 HydrophobicContact CG2-CD1 4.35Å; I510-L515 HydrophobicContact CB-CD1 4.31Å; I510-L515 HydrophobicContact CD1-CD1 4.19Å; I510-L515 HydrophobicContact CG2-CD1 4.08Å; I510-L515 HydrophobicContact CG2-CG 4.08Å; I510-I528 HydrophobicContact CD1-CD1 3.11Å; I510-I528 HydrophobicContact CD1-CG1 3.99Å; I510-I528 HydrophobicContact CG1-CD1 3.81Å; I510-I528 HydrophobicContact CG1-CG1 4.5Å
511H66.2Low64.4Low69 Ų6966.5 Ų66.532%0.31937%0.37SS..PPolyproline II helixtrans-68.1131.1171.7-166.1-95.9000111.2L414 Q415 S513 L514L414-H511 WeakPolarHBondContact O-CB 3.35Å; L414-H511 PolarHBondContact O-N 2.73Å; Q415-H511 WeakPolarHBondContact O-CB 3.46Å; H511-S513 PolarHBondContact CE1-OG 3.36Å; H511-S513 VanDerWaalsContact ND1-CB 3.33Å; H511-S513 WeakPolarHBondContact ND1-CB 3.26Å; H511-S513 PolarHBondContact ND1-N 2.8Å; H511-S513 PolarHBondContact ND1-OG 3.22Å; H511-S513 PolarHBondContact O-N 3.13Å; H511-L514 PolarHBondContact O-N 3.01Å
512P62.9Low63.1Low48 Ų4870.7 Ų70.731%0.31239%0.39SS..G310 helixtrans-56.1-31.9-176.116.6-29.5000113.9L514 L515 I516 M522P512-L514 PolarHBondContact O-N 3.19Å; P512-L514 VanDerWaalsContact O-N 3.11Å; P512-L515 PolarHBondContact O-N 2.92Å; P512-L515 VanDerWaalsContact O-N 3.08Å; P512-I516 HydrophobicContact CB-CD1 3.52Å; P512-I516 HydrophobicContact CB-CG1 4.39Å; P512-I516 WeakPolarHBondContact O-CB 3.45Å; P512-I516 WeakPolarHBondContact O-CG1 3.43Å; P512-I516 PolarHBondContact O-N 2.66Å; P512-M522 HydrophobicContact CB-SD 4.14Å
513S63.8Low62Low73 Ų7375 Ų7551%0.5142%0.42SS..G310 helixtrans-63.2-18.9179.175.20000114.5H511H511-S513 PolarHBondContact CE1-OG 3.36Å; H511-S513 VanDerWaalsContact ND1-CB 3.33Å; H511-S513 WeakPolarHBondContact ND1-CB 3.26Å; H511-S513 PolarHBondContact ND1-N 2.8Å; H511-S513 PolarHBondContact ND1-OG 3.22Å; H511-S513 PolarHBondContact O-N 3.13Å
514L61.9Low61.2Low12 Ų1280.7 Ų80.76%0.06345%0.451CS..G310 helixtrans-85.5-17.7178.4-65.8175.8000112.3K382 Y413 L414 I510 H511 P512K382-L514 WeakPolarHBondContact CE-O 3.47Å; K382-L514 WeakPolarHBondContact CG-O 3.4Å; Y413-L514 WeakPolarHBondContact O-CD1 3.29Å; L414-L514 HydrophobicContact CD2-CD1 4.4Å; I510-L514 HydrophobicContact CG2-CB 4.14Å; I510-L514 HydrophobicContact CG2-CD1 4.35Å; H511-L514 PolarHBondContact O-N 3.01Å; P512-L514 PolarHBondContact O-N 3.19Å; P512-L514 VanDerWaalsContact O-N 3.11Å
515L62.2Low60.8Low29 Ų2981.4 Ų81.415%0.15245%0.454CS..THydrogen-bonded Turntrans-106.9-30.4-179.3-68.2171.4000112.6Y385 I510 P512 S517Y385-L515 HydrophobicContact CD2-CD1 4.24Å; Y385-L515 HydrophobicContact CD2-CD2 4.29Å; Y385-L515 HydrophobicContact CE2-CD1 4.41Å; Y385-L515 HydrophobicContact CG-CD2 4.19Å; I510-L515 HydrophobicContact CB-CD1 4.31Å; I510-L515 HydrophobicContact CD1-CD1 4.19Å; I510-L515 HydrophobicContact CG2-CD1 4.08Å; I510-L515 HydrophobicContact CG2-CG 4.08Å; P512-L515 PolarHBondContact O-N 2.92Å; P512-L515 VanDerWaalsContact O-N 3.08Å; L515-S517 PolarHBondContact O-N 3.4Å
516I57.6Low60.5Low92 Ų9283 Ų8347%0.47246%0.461SS..  trans-85.5108.4-167.5-61.6169.2000112.2P512 S518P512-I516 HydrophobicContact CB-CD1 3.52Å; P512-I516 HydrophobicContact CB-CG1 4.39Å; P512-I516 WeakPolarHBondContact O-CB 3.45Å; P512-I516 WeakPolarHBondContact O-CG1 3.43Å; P512-I516 PolarHBondContact O-N 2.66Å; I516-S518 VanDerWaalsContact CG2-N 3.33Å
517S48.2Very low60.6Low104 Ų10481.7 Ų81.773%0.72745%0.453SS*.SBendtrans-100.291.1141.147.10000107.9L515L515-S517 PolarHBondContact O-N 3.4Å
518S39.8Very low60.7Low93 Ų9377.1 Ų77.165%0.6543%0.431SS*.SBendtrans41.4117.2167.952.30000119.4I516I516-S518 VanDerWaalsContact CG2-N 3.33Å
519N41.2Very low61Low162 Ų16277 Ų7787%0.86643%0.43SS*.  trans93.226.1157.1-63.7-16.5000122.3
520I48.4Very low61.5Low101 Ų10173 Ų7352%0.51840%0.402SS..  trans-115.4121.7171.9-55.8174.8000110.8M522I520-M522 PolarHBondContact O-N 2.95Å
521K46.6Very low61.9Low194 Ų19472 Ų7284%0.84340%0.397SS*.  trans-61120.4172.9-74.8178.1176.7176.60108.5S523K521-S523 PolarHBondContact O-N 3.19Å
522M44.5Very low62.5Low124 Ų12469.3 Ų69.361%0.61139%0.385SS*.  trans-63.4104.2172.5-77.2-173.477.600109.8P512 I520P512-M522 HydrophobicContact CB-SD 4.14Å; I520-M522 PolarHBondContact O-N 2.95Å
523S46.4Very low62.8Low93 Ų9368.6 Ų68.665%0.6538%0.383SS*.  trans-122.192.4161.160.50000109.9K521 S525K521-S523 PolarHBondContact O-N 3.19Å; S523-S525 PolarHBondContact O-N 3.14Å
524N53Low62.8Low167 Ų16766.8 Ų66.889%0.89337%0.37SS*.SBendtrans4020143.9-73.31.9000123.1
525S64.1Low62.4Low32 Ų3271.3 Ų71.322%0.22440%0.398CS..  trans-90.5-16.4-172.959.80000117.4N394 S395 S523N394-S525 WeakPolarHBondContact CA-O 3.28Å; S395-S525 PolarHBondContact N-O 3.36Å; S523-S525 PolarHBondContact O-N 3.14Å
526L71.8Confident61.9Low40 Ų4076.3 Ų76.321%0.20942%0.419CS..EExtended strand (participates in β ladder)trans-108125.4-177.1-69.5-169.4000113.3Y385 T388 I397Y385-L526 HydrophobicContact CD2-CD1 3.5Å; Y385-L526 HydrophobicContact CD2-CG 4.14Å; Y385-L526 HydrophobicContact CE2-CD1 4.41Å; Y385-L526 HydrophobicContact CG-CD1 4.26Å; T388-L526 HydrophobicContact CG2-CD2 3.74Å; I397-L526 HydrophobicContact CD1-CD1 4.2Å; I397-L526 HydrophobicContact CD1-CD2 4.46Å
527R82Confident61.1Low63 Ų6376.7 Ų76.724%0.23843%0.43CS..EExtended strand (participates in β ladder)trans-107.2112.7172.5-172.9175.5-169-154.21110.1S395 T396 I397 E507 I529S395-R527 PolarHBondContact O-N 3.03Å; T396-R527 WeakPolarHBondContact CA-O 3.33Å; T396-R527 HydrophobicContact CG2-CB 4.14Å; I397-R527 PolarHBondContact N-O 3.45Å; E507-R527 WeakPolarHBondContact OE1-CG 3.46Å; E507-R527 IonicContact OE1-NE 3.64Å; E507-R527 PolarHBondContact OE1-NE 2.89Å; E507-R527 IonicContact OE2-CZ 3.89Å; E507-R527 IonicContact OE2-NE 3.83Å; E507-R527 PolarHBondContact OE2-NE 3.3Å; E507-R527 IonicContact OE2-NH2 2.92Å; E507-R527 PolarHBondContact OE2-NH2 3.4Å; R527-I529 HydrophobicContact CG-CD1 4.38Å; R527-I529 HydrophobicContact CG-CG1 4.3Å
528I83Confident60.2Low2 Ų274.9 Ų74.91%0.0143%0.427CS..EExtended strand (participates in β ladder)trans-103.2126.9178.3-55.6-157.3000110.5L381 I397 I399 E507 V508 I510L381-I528 HydrophobicContact CD1-CD1 4.25Å; L381-I528 HydrophobicContact CD2-CD1 3.66Å; I397-I528 HydrophobicContact CB-CG1 4.28Å; I397-I528 HydrophobicContact CD1-CD1 4.14Å; I397-I528 HydrophobicContact CD1-CG1 4.21Å; I399-I528 HydrophobicContact CD1-CG2 3.83Å; I399-I528 HydrophobicContact CG1-CG2 4.3Å; E507-I528 WeakPolarHBondContact CA-O 3.44Å; V508-I528 PolarHBondContact N-O 3.39Å; I510-I528 HydrophobicContact CD1-CD1 3.11Å; I510-I528 HydrophobicContact CD1-CG1 3.99Å; I510-I528 HydrophobicContact CG1-CD1 3.81Å; I510-I528 HydrophobicContact CG1-CG1 4.5Å
529I86.6Confident59.8Low3 Ų376.4 Ų76.42%0.01543%0.428CS..EExtended strand (participates in β ladder)trans-123.5122.6-179.9-58.4171.9000108.4I397 L398 I399 L501 C505 H506 R527 L573I397-I529 PolarHBondContact O-N 3.23Å; L398-I529 CarbonylContact C-O 3.59Å; L398-I529 WeakPolarHBondContact CA-O 3.44Å; L398-I529 HydrophobicContact CD1-CB 4.27Å; L398-I529 HydrophobicContact CD1-CG2 4.07Å; I399-I529 PolarHBondContact N-O 2.89Å; L501-I529 HydrophobicContact CD2-CD1 3.82Å; L501-I529 HydrophobicContact CD2-CG1 4.4Å; C505-I529 HydrophobicContact CB-CG2 3.74Å; H506-I529 WeakPolarHBondContact O-CA 3.36Å; R527-I529 HydrophobicContact CG-CD1 4.38Å; R527-I529 HydrophobicContact CG-CG1 4.3Å; I529-L573 HydrophobicContact CD1-CD1 3.78Å; I529-L573 HydrophobicContact CD1-CD2 3.65Å; I529-L573 HydrophobicContact CD1-CG 4.26Å; I529-L573 HydrophobicContact CG2-CD1 4.05Å
530I85.7Confident59.4Low3 Ų374.3 Ų74.32%0.01541%0.413CS..EExtended strand (participates in β ladder)trans-95125.8170.8-56.9-177.9000108I399 V401 A407 L410 E411 L414 C505 H506 V508I399-I530 HydrophobicContact CB-CG1 4.34Å; I399-I530 HydrophobicContact CD1-CG1 4.38Å; V401-I530 HydrophobicContact CG2-CG2 3.94Å; A407-I530 HydrophobicContact CB-CG2 3.9Å; L410-I530 HydrophobicContact CB-CD1 4.23Å; E411-I530 HydrophobicContact CB-CD1 4.43Å; L414-I530 HydrophobicContact CD1-CD1 4.22Å; C505-I530 CarbonylContact C-O 3.48Å; C505-I530 WeakPolarHBondContact CA-O 3.21Å; H506-I530 PolarHBondContact N-O 2.99Å; H506-I530 PolarHBondContact O-N 3.32Å; V508-I530 HydrophobicContact CG2-CD1 3.69Å; V508-I530 HydrophobicContact CG2-CG1 3.87Å
531R84.6Confident58.6Low9 Ų975.5 Ų75.53%0.03442%0.421CS..EExtended strand (participates in β ladder)trans-106.1128.3173.5-175.5-148.2178.5-157.51.4110.1L398 I399 L400 V401 G504 Y564 L566L398-R531 HydrophobicContact CD1-CB 4Å; I399-R531 PolarHBondContact O-N 2.73Å; L400-R531 HydrophobicContact CD2-CB 3.94Å; L400-R531 VanDerWaalsContact CD2-CD 3.5Å; L400-R531 HydrophobicContact CD2-CG 4.37Å; V401-R531 PolarHBondContact N-O 3.41Å; G504-R531 WeakPolarHBondContact O-CA 3.43Å; R531-Y564 PolarHBondContact NH2-O 3.22Å; R531-L566 VanDerWaalsContact NH1-CB 3.28Å; R531-L566 VanDerWaalsContact NH1-CD1 3.33Å; R531-L566 VanDerWaalsContact NH2-N 3.16Å
532V78.8Confident57.9Low11 Ų1169.7 Ų69.77%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-112.2128.4165.6-176.20000108.1E404 A407 G504E404-V532 HydrophobicContact CB-CG1 4.05Å; E404-V532 HydrophobicContact CG-CG1 4.49Å; A407-V532 HydrophobicContact CB-CG2 3.15Å; G504-V532 PolarHBondContact O-N 3.02Å
533A69.4Low57.4Low33 Ų3370.9 Ų70.927%0.27341%0.408SS..  trans-61.5126.4172.400000109.1T535A533-T535 PolarHBondContact O-N 3.48Å; A533-T535 VanDerWaalsContact O-N 3.14Å
534P62.5Low56.9Low36 Ų3674 Ų7423%0.23441%0.41CS..  trans-64120179.524.5-32000109.7F536 Y564P534-F536 HydrophobicContact CB-CE2 4.09Å; P534-F536 HydrophobicContact CB-CZ 4.28Å; P534-F536 HydrophobicContact CG-CE2 3.9Å; P534-F536 HydrophobicContact CG-CZ 4.31Å; P534-F536 PolarHBondContact O-N 3.01Å; P534-Y564 VanDerWaalsContact CG-CB 3.41Å
535T54.9Low56.1Low106 Ų10673.7 Ų73.765%0.6540%0.398SS*.  trans-80.4102.1174.750.60000109.1A533 S537A533-T535 PolarHBondContact O-N 3.48Å; A533-T535 VanDerWaalsContact O-N 3.14Å; T535-S537 PolarHBondContact O-N 3.43Å
536F51.3Low54.3Low135 Ų13575.1 Ų75.159%0.59242%0.418SS*.  trans-80.274.4167.2-61.8-79.3000108.8P65 P534 Y564P65-F536 HydrophobicContact CB-CE2 4.33Å; P65-F536 HydrophobicContact CB-CZ 4.25Å; P65-F536 HydrophobicContact CG-CD1 4.27Å; P65-F536 HydrophobicContact CG-CD2 4.37Å; P65-F536 HydrophobicContact CG-CE1 4.07Å; P65-F536 HydrophobicContact CG-CE2 4.16Å; P65-F536 HydrophobicContact CG-CG 4.42Å; P65-F536 HydrophobicContact CG-CZ 4.01Å; P534-F536 HydrophobicContact CB-CE2 4.09Å; P534-F536 HydrophobicContact CB-CZ 4.28Å; P534-F536 HydrophobicContact CG-CE2 3.9Å; P534-F536 HydrophobicContact CG-CZ 4.31Å; P534-F536 PolarHBondContact O-N 3.01Å; F536-Y564 HydrophobicContact CE2-CG 4.42Å
537S39.7Very low52.2Low100 Ų10076.1 Ų76.170%0.69943%0.428SS*.  trans-98.2107.3172.858.50000109.7T535T535-S537 PolarHBondContact O-N 3.43Å
538G30.4Very low49.6Very low66 Ų6678.4 Ų78.468%0.6845%0.449SS*.SBendtrans69.2121.3164.800000115.6
539D31.6Very low47.1Very low124 Ų12487 Ų8766%0.66349%0.487SS*.  trans76.489.1166.4-51.4-31.8000117.2N541D539-N541 PolarHBondContact O-N 3.28Å
540E31.6Very low44.5Very low119 Ų11993.4 Ų93.456%0.55652%0.521SS*.THydrogen-bonded Turntrans-64.915.1179.6-66-165.3130.100116.4I64I64-E540 WeakPolarHBondContact CB-OE1 3.32Å; I64-E540 WeakPolarHBondContact CD1-OE2 3.48Å; I64-E540 WeakPolarHBondContact CG1-OE1 3.42Å; I64-E540 WeakPolarHBondContact CG1-OE2 3.44Å
541N31.4Very low41.8Very low126 Ų126101.1 Ų101.167%0.67456%0.556SS**THydrogen-bonded Turntrans-120.92-156.9-79.4-6.1000119.8D539D539-N541 PolarHBondContact O-N 3.28Å
542S32.7Very low39.4Very low71 Ų71106 Ų10650%0.49759%0.589SS.*SBendtrans-150.511.7-168.863.80000122.6
543Q34.3Very low37.2Very low150 Ų150110.1 Ų110.170%0.70161%0.611SS**SBendtrans-128.93.4179.4-71.1-168.17.800119.3
544F36Very low35.9Very low158 Ų158114.2 Ų114.269%0.69363%0.632SS**SBendtrans-128.47.2178.4-81.2-82.1000116.7L503 G546L503-F544 HydrophobicContact CD1-CE1 4.38Å; L503-F544 HydrophobicContact CD1-CZ 4.1Å; F544-G546 PolarHBondContact O-N 3.15Å
545Y35.7Very low35Very low160 Ų160116.3 Ų116.363%0.62765%0.648SS**  trans-94.871.3177-74.5-75.6000113.1R68 S547R68-Y545 PolarHBondContact NH1-OH 2.85Å; R68-Y545 PolarHBondContact NH2-OH 2.91Å; Y545-S547 VanDerWaalsContact C-N 3.3Å; Y545-S547 PolarHBondContact O-N 3.04Å
546G27.2Very low34.3Very low63 Ų63113.7 Ų113.765%0.64963%0.63SS**  trans-74.786.8149.600000108.8F544 T548F544-G546 PolarHBondContact O-N 3.15Å; G546-T548 PolarHBondContact O-N 3.17Å
547S26.6Very low34.2Very low61 Ų61111.9 Ų111.943%0.42763%0.626SS.*  trans-71.479.8164.1178.30000108.1Y545 K549Y545-S547 VanDerWaalsContact C-N 3.3Å; Y545-S547 PolarHBondContact O-N 3.04Å; S547-K549 PolarHBondContact O-N 3.34Å
548T27.5Very low34.6Very low110 Ų110108.3 Ų108.368%0.67560%0.598SS**  trans-83.994.615750.80000105.9G546 D550G546-T548 PolarHBondContact O-N 3.17Å; T548-D550 PolarHBondContact O-N 3.41Å; T548-D550 VanDerWaalsContact O-N 3.08Å
549K31.5Very low35.6Very low184 Ų184107 Ų10780%0.858%0.575SS**  trans-66.54.3170.3-80.4-172.1171.8-174.90113S547S547-K549 PolarHBondContact O-N 3.34Å
550D30.5Very low36.5Very low136 Ų136104.8 Ų104.873%0.72756%0.56SS**SBendtrans-130.170.7-173.9-50.9-45.6000110.3T548T548-D550 PolarHBondContact O-N 3.41Å; T548-D550 VanDerWaalsContact O-N 3.08Å
551H30.7Very low37.6Very low165 Ų165103.1 Ų103.176%0.76455%0.552SS**  trans-178.9126.4149-103.1-70.5000110.5D553H551-D553 VanDerWaalsContact C-N 3.29Å; H551-D553 PolarHBondContact O-N 3.44Å; H551-D553 VanDerWaalsContact O-N 3.1Å
552P32.6Very low39Very low112 Ų11297.7 Ų97.773%0.72752%0.523SS*.  trans-87.240.5-169.537.7-36.8000114.1V554P552-V554 PolarHBondContact O-N 2.72Å
553D34.1Very low40.1Very low97 Ų9794.3 Ų94.352%0.51950%0.499SS..  trans-93.866.9176.2-84.54.7000111.1H551 S555 N556H551-D553 VanDerWaalsContact C-N 3.29Å; H551-D553 PolarHBondContact O-N 3.44Å; H551-D553 VanDerWaalsContact O-N 3.1Å; D553-S555 PolarHBondContact O-N 2.97Å; D553-N556 HydrophobicContact CB-CB 4.38Å; D553-N556 PolarHBondContact O-N 3.34Å; D553-N556 PolarHBondContact OD2-ND2 3.38Å
554V41.9Very low41.8Very low120 Ų12088.4 Ų88.473%0.72747%0.47SS*.Hα-helixtrans-60.8-28.1-178.2-178.30000112.3P552 N556P552-V554 PolarHBondContact O-N 2.72Å; V554-N556 VanDerWaalsContact C-N 3.33Å; V554-N556 PolarHBondContact O-N 3.12Å
555S42.2Very low43.7Very low79 Ų7983.8 Ų83.855%0.55245%0.449SS*.Hα-helixtrans-66.9-31.1178.152.40000113.5D553 F558D553-S555 PolarHBondContact O-N 2.97Å; S555-F558 VanDerWaalsContact O-CB 3.3Å; S555-F558 WeakPolarHBondContact O-CB 3.4Å; S555-F558 PolarHBondContact O-N 3.27Å
556N41.7Very low46Very low51 Ų5176.2 Ų76.227%0.27342%0.419SS..Hα-helixtrans-81-28.4-172.8-74.9-29000112.7D553 V554 F558D553-N556 HydrophobicContact CB-CB 4.38Å; D553-N556 PolarHBondContact O-N 3.34Å; D553-N556 PolarHBondContact OD2-ND2 3.38Å; V554-N556 VanDerWaalsContact C-N 3.33Å; V554-N556 PolarHBondContact O-N 3.12Å; N556-F558 VanDerWaalsContact C-N 3.3Å
557L48.5Very low48.6Very low97 Ų9774.1 Ų74.151%0.50839%0.394SS..Hα-helixtrans-69.6-33.2173.4-137.276.4000111.1I559 Q560 Q561L557-I559 PolarHBondContact O-N 3.15Å; L557-Q560 PolarHBondContact O-N 2.9Å; L557-Q561 WeakPolarHBondContact O-CB 3.48Å; L557-Q561 VanDerWaalsContact O-CG 3.23Å; L557-Q561 WeakPolarHBondContact O-CG 3.41Å; L557-Q561 PolarHBondContact O-N 3.24Å
558F47.5Very low51.2Low25 Ų2571.6 Ų71.611%0.1138%0.375CS..Hα-helixtrans-57.9-50.7-179.3-155.9-85.3000111.6G72 I73 K76 S555 N556 Q560 Q561 Y562 Y568G72-F558 VanDerWaalsContact C-CE2 3.47Å; G72-F558 VanDerWaalsContact O-CE2 3.27Å; G72-F558 WeakPolarHBondContact O-CE2 3.49Å; I73-F558 HydrophobicContact CG1-CZ 4.27Å; K76-F558 HydrophobicContact CB-CE2 4.16Å; K76-F558 HydrophobicContact CB-CZ 4.26Å; K76-F558 HydrophobicContact CD-CE1 4.04Å; K76-F558 HydrophobicContact CD-CE2 4.2Å; K76-F558 HydrophobicContact CD-CZ 3.84Å; S555-F558 VanDerWaalsContact O-CB 3.3Å; S555-F558 WeakPolarHBondContact O-CB 3.4Å; S555-F558 PolarHBondContact O-N 3.27Å; N556-F558 VanDerWaalsContact C-N 3.3Å; F558-Q560 VanDerWaalsContact C-N 3.29Å; F558-Q560 PolarHBondContact O-N 3.49Å; F558-Q561 PolarHBondContact O-N 3.04Å; F558-Y562 HydrophobicContact CB-CD2 4.22Å; F558-Y562 HydrophobicContact CB-CE2 4.19Å; F558-Y562 AromaticContact CD1-CD2 3.36Å; F558-Y562 HydrophobicContact CD1-CD2 3.36Å; F558-Y562 AromaticContact CD1-CE2 3.81Å; F558-Y562 HydrophobicContact CD1-CE2 3.81Å; F558-Y562 AromaticContact CD2-CD2 3.81Å; F558-Y562 HydrophobicContact CD2-CD2 3.81Å; F558-Y562 AromaticContact CD2-CE2 3.3Å; F558-Y562 HydrophobicContact CD2-CE2 3.3Å; F558-Y562 AromaticContact CE1-CD2 3.4Å; F558-Y562 HydrophobicContact CE1-CD2 3.4Å; F558-Y562 VanDerWaalsContact CE1-CD2 3.4Å; F558-Y562 AromaticContact CE1-CE2 3.85Å; F558-Y562 HydrophobicContact CE1-CE2 3.85Å; F558-Y562 HydrophobicContact CE1-CG 4.38Å; F558-Y562 AromaticContact CE2-CD2 3.84Å; F558-Y562 HydrophobicContact CE2-CD2 3.84Å; F558-Y562 AromaticContact CE2-CE2 3.33Å; F558-Y562 HydrophobicContact CE2-CE2 3.33Å; F558-Y562 AromaticContact CG-CD2 3.53Å; F558-Y562 HydrophobicContact CG-CD2 3.53Å; F558-Y562 AromaticContact CG-CE2 3.5Å; F558-Y562 HydrophobicContact CG-CE2 3.5Å; F558-Y562 VanDerWaalsContact CG-CE2 3.5Å; F558-Y562 AromaticContact CZ-CD2 3.63Å; F558-Y562 HydrophobicContact CZ-CD2 3.63Å; F558-Y562 AromaticContact CZ-CE2 3.6Å; F558-Y562 HydrophobicContact CZ-CE2 3.6Å; F558-Y562 WeakPolarHBondContact O-CB 3.18Å; F558-Y562 WeakPolarHBondContact O-CD2 3.44Å; F558-Y562 PolarHBondContact O-N 2.92Å; F558-Y562 VanDerWaalsContact O-N 3.12Å; F558-Y568 HydrophobicContact CD1-CE2 4.45Å; F558-Y568 HydrophobicContact CE1-CE2 4.04Å
559I51.2Low53.9Low40 Ų4066.3 Ų66.321%0.20534%0.343CS..Hα-helixtrans-64.5-36.4-176.7-62.2169.7000111.4P502 L557P502-I559 HydrophobicContact CB-CG2 4.49Å; P502-I559 HydrophobicContact CG-CG2 4.43Å; L557-I559 PolarHBondContact O-N 3.15Å
560Q51.4Low56.5Low76 Ų7657.6 Ų57.636%0.35531%0.305SS..Hα-helixtrans-77-27.8178.8-68.6-176.8-16.300113L503 L557 F558L503-Q560 WeakPolarHBondContact CB-O 3.41Å; L557-Q560 PolarHBondContact O-N 2.9Å; F558-Q560 VanDerWaalsContact C-N 3.29Å; F558-Q560 PolarHBondContact O-N 3.49Å
561Q55.1Low59Low84 Ų8453 Ų5339%0.39328%0.281SS..Hα-helixtrans-82.6-29.7-179.7-74178.1-0.800113L557 F558L557-Q561 WeakPolarHBondContact O-CB 3.48Å; L557-Q561 VanDerWaalsContact O-CG 3.23Å; L557-Q561 WeakPolarHBondContact O-CG 3.41Å; L557-Q561 PolarHBondContact O-N 3.24Å; F558-Q561 PolarHBondContact O-N 3.04Å
562Y59.4Low61.4Low13 Ų1348 Ų485%0.05126%0.262CS..Hα-helixtrans-1113.8-165.2-57-47.1000115.9R68 F69 G72 F558 Y564R68-Y562 HydrophobicContact CB-CE1 4.2Å; R68-Y562 WeakPolarHBondContact O-CE1 3.32Å; R68-Y562 VanDerWaalsContact O-CZ 3.31Å; R68-Y562 PolarHBondContact O-OH 3.16Å; F69-Y562 VanDerWaalsContact CA-CD1 3.49Å; F69-Y562 HydrophobicContact CB-CD1 3.84Å; F69-Y562 HydrophobicContact CB-CE1 4.15Å; F69-Y562 AromaticContact CD2-CD1 3.76Å; F69-Y562 HydrophobicContact CD2-CD1 3.76Å; F69-Y562 AromaticContact CD2-CG 3.93Å; F69-Y562 HydrophobicContact CD2-CG 3.93Å; F69-Y562 HydrophobicContact CG-CD1 4.3Å; G72-Y562 WeakPolarHBondContact CA-OH 3.41Å; F558-Y562 HydrophobicContact CB-CD2 4.22Å; F558-Y562 HydrophobicContact CB-CE2 4.19Å; F558-Y562 AromaticContact CD1-CD2 3.36Å; F558-Y562 HydrophobicContact CD1-CD2 3.36Å; F558-Y562 AromaticContact CD1-CE2 3.81Å; F558-Y562 HydrophobicContact CD1-CE2 3.81Å; F558-Y562 AromaticContact CD2-CD2 3.81Å; F558-Y562 HydrophobicContact CD2-CD2 3.81Å; F558-Y562 AromaticContact CD2-CE2 3.3Å; F558-Y562 HydrophobicContact CD2-CE2 3.3Å; F558-Y562 AromaticContact CE1-CD2 3.4Å; F558-Y562 HydrophobicContact CE1-CD2 3.4Å; F558-Y562 VanDerWaalsContact CE1-CD2 3.4Å; F558-Y562 AromaticContact CE1-CE2 3.85Å; F558-Y562 HydrophobicContact CE1-CE2 3.85Å; F558-Y562 HydrophobicContact CE1-CG 4.38Å; F558-Y562 AromaticContact CE2-CD2 3.84Å; F558-Y562 HydrophobicContact CE2-CD2 3.84Å; F558-Y562 AromaticContact CE2-CE2 3.33Å; F558-Y562 HydrophobicContact CE2-CE2 3.33Å; F558-Y562 AromaticContact CG-CD2 3.53Å; F558-Y562 HydrophobicContact CG-CD2 3.53Å; F558-Y562 AromaticContact CG-CE2 3.5Å; F558-Y562 HydrophobicContact CG-CE2 3.5Å; F558-Y562 VanDerWaalsContact CG-CE2 3.5Å; F558-Y562 AromaticContact CZ-CD2 3.63Å; F558-Y562 HydrophobicContact CZ-CD2 3.63Å; F558-Y562 AromaticContact CZ-CE2 3.6Å; F558-Y562 HydrophobicContact CZ-CE2 3.6Å; F558-Y562 WeakPolarHBondContact O-CB 3.18Å; F558-Y562 WeakPolarHBondContact O-CD2 3.44Å; F558-Y562 PolarHBondContact O-N 2.92Å; F558-Y562 VanDerWaalsContact O-N 3.12Å; Y562-Y564 PolarHBondContact O-N 2.89Å
563G57.1Low63.8Low0 Ų043.6 Ų43.60%023%0.232CC..THydrogen-bonded Turntrans-64.50.9177.400000116.2L503L503-G563 CarbonylContact O-C 3.59Å
564Y68.8Low66.2Low25 Ų2543.8 Ų43.810%0.09823%0.23CC..THydrogen-bonded Turntrans-76.8-29.1-177.976.6-88.3000113.7P65 E66 F69 R531 P534 F536 Y562P65-Y564 HydrophobicContact CB-CD1 4.4Å; P65-Y564 HydrophobicContact CB-CE1 4.22Å; P65-Y564 PolarHBondContact O-OH 2.84Å; E66-Y564 VanDerWaalsContact CA-OH 3.32Å; E66-Y564 WeakPolarHBondContact CA-OH 3.45Å; F69-Y564 HydrophobicContact CB-CE1 3.75Å; F69-Y564 WeakPolarHBondContact CB-OH 3.43Å; F69-Y564 WeakPolarHBondContact CD1-OH 3.45Å; F69-Y564 HydrophobicContact CD2-CE1 4.16Å; F69-Y564 HydrophobicContact CG-CE1 4.1Å; F69-Y564 AromaticContact CG-CZ 3.97Å; F69-Y564 WeakPolarHBondContact CG-OH 3.44Å; R531-Y564 PolarHBondContact NH2-O 3.22Å; P534-Y564 VanDerWaalsContact CG-CB 3.41Å; F536-Y564 HydrophobicContact CE2-CG 4.42Å; Y562-Y564 PolarHBondContact O-N 2.89Å
565R76.8Confident68.4Low62 Ų6238.5 Ų38.523%0.23420%0.198CC..SBendtrans-86.3136.7175.2-70-54.1-159.5-155.81.6111.8D40 E66 F69 V569D40-R565 IonicContact OD1-CZ 3.64Å; D40-R565 IonicContact OD1-NE 3.69Å; D40-R565 IonicContact OD1-NH2 3.71Å; D40-R565 PolarHBondContact OD1-NH2 3.4Å; D40-R565 WeakPolarHBondContact OD2-CD 3.41Å; D40-R565 IonicContact OD2-CZ 3.73Å; D40-R565 IonicContact OD2-NE 3.45Å; D40-R565 PolarHBondContact OD2-NE 3.09Å; D40-R565 IonicContact OD2-NH2 3.54Å; E66-R565 IonicContact OE1-NH2 2.82Å; F69-R565 HydrophobicContact CE1-CG 4.15Å; F69-R565 HydrophobicContact CE2-CB 4.47Å; F69-R565 HydrophobicContact CE2-CG 4.39Å; F69-R565 HydrophobicContact CZ-CB 4.27Å; F69-R565 HydrophobicContact CZ-CG 4.06Å; R565-V569 WeakPolarHBondContact O-CG2 3.39Å; R565-V569 PolarHBondContact O-N 3.42Å
566L83.8Confident70.5Confident1 Ų136.6 Ų36.61%0.00518%0.182CC..Hα-helixtrans-68-41.9-179.9-177.848.4000111.3L398 L400 R531 Y568 V569 L570 W587 E590L398-L566 HydrophobicContact CD2-CD1 4.38Å; L400-L566 HydrophobicContact CD1-CD1 4.42Å; L400-L566 HydrophobicContact CD1-CD2 4.06Å; L400-L566 HydrophobicContact CD2-CD1 3.91Å; R531-L566 VanDerWaalsContact NH1-CB 3.28Å; R531-L566 VanDerWaalsContact NH1-CD1 3.33Å; R531-L566 VanDerWaalsContact NH2-N 3.16Å; L566-Y568 VanDerWaalsContact C-N 3.27Å; L566-Y568 PolarHBondContact O-N 3.14Å; L566-V569 CarbonylContact O-C 3.59Å; L566-V569 WeakPolarHBondContact O-CA 3.36Å; L566-V569 WeakPolarHBondContact O-CB 3.36Å; L566-V569 PolarHBondContact O-N 3.29Å; L566-L570 HydrophobicContact CD1-CD1 4.14Å; L566-L570 HydrophobicContact CD1-CD2 4.03Å; L566-L570 HydrophobicContact CD1-CG 3.76Å; L566-L570 HydrophobicContact CD2-CD1 4.39Å; L566-L570 HydrophobicContact CG-CD1 3.8Å; L566-L570 HydrophobicContact CG-CG 3.96Å; L566-L570 WeakPolarHBondContact O-CG 3.24Å; L566-L570 PolarHBondContact O-N 3.34Å; L566-W587 HydrophobicContact CD2-CB 4.22Å; L566-W587 HydrophobicContact CD2-CG 4.15Å; L566-E590 WeakPolarHBondContact CB-OE2 3.43Å; L566-E590 HydrophobicContact CD2-CB 4.3Å; L566-E590 WeakPolarHBondContact CD2-OE2 3.43Å
567S82.8Confident72.9Confident19 Ų1935 Ų3513%0.13317%0.172CC..Hα-helixtrans-50.6-47.9179.353.50000111.9L570 D571S567-L570 PolarHBondContact O-N 2.95Å; S567-D571 PolarHBondContact O-N 3.07Å
568Y81.1Confident75Confident7 Ų730.4 Ų30.43%0.02715%0.148CC..Hα-helixtrans-63.8-42175.9-177.9-103.5000112.9F69 F558 L566 L570 D571 V572F69-Y568 HydrophobicContact CE2-CG 4.41Å; F558-Y568 HydrophobicContact CD1-CE2 4.45Å; F558-Y568 HydrophobicContact CE1-CE2 4.04Å; L566-Y568 VanDerWaalsContact C-N 3.27Å; L566-Y568 PolarHBondContact O-N 3.14Å; Y568-L570 VanDerWaalsContact C-N 3.33Å; Y568-L570 PolarHBondContact O-N 3.35Å; Y568-D571 PolarHBondContact O-N 3.46Å; Y568-V572 HydrophobicContact CD1-CG2 4.26Å; Y568-V572 HydrophobicContact CD2-CG2 4.4Å; Y568-V572 HydrophobicContact CE1-CG2 3.8Å; Y568-V572 HydrophobicContact CE2-CG2 3.94Å; Y568-V572 VanDerWaalsContact O-CG2 3.29Å; Y568-V572 WeakPolarHBondContact O-CG2 3.36Å; Y568-V572 PolarHBondContact O-N 3.39Å
569V83.9Confident77.2Confident0 Ų029.2 Ų29.20%014%0.142CC..Hα-helixtrans-63.5-40.3177.5173.90000111.3P502 R565 L566 V572 L573P502-V569 HydrophobicContact CB-CG2 3.94Å; P502-V569 HydrophobicContact CG-CG2 4.34Å; R565-V569 WeakPolarHBondContact O-CG2 3.39Å; R565-V569 PolarHBondContact O-N 3.42Å; L566-V569 CarbonylContact O-C 3.59Å; L566-V569 WeakPolarHBondContact O-CA 3.36Å; L566-V569 WeakPolarHBondContact O-CB 3.36Å; L566-V569 PolarHBondContact O-N 3.29Å; V569-V572 PolarHBondContact O-N 3.4Å; V569-L573 HydrophobicContact CG1-CD1 3.57Å; V569-L573 HydrophobicContact CG1-CG 4.2Å; V569-L573 VanDerWaalsContact O-CB 3.32Å; V569-L573 WeakPolarHBondContact O-CB 3.11Å; V569-L573 WeakPolarHBondContact O-CG 3.45Å; V569-L573 PolarHBondContact O-N 3Å
570L86.1Confident79.1Confident0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-64.5-44.9176.7-66.8173.4000111.2L398 L566 S567 Y568 V572 Q574 P575 L591 Y594L398-L570 HydrophobicContact CD2-CD2 3.74Å; L566-L570 HydrophobicContact CD1-CD1 4.14Å; L566-L570 HydrophobicContact CD1-CD2 4.03Å; L566-L570 HydrophobicContact CD1-CG 3.76Å; L566-L570 HydrophobicContact CD2-CD1 4.39Å; L566-L570 HydrophobicContact CG-CD1 3.8Å; L566-L570 HydrophobicContact CG-CG 3.96Å; L566-L570 WeakPolarHBondContact O-CG 3.24Å; L566-L570 PolarHBondContact O-N 3.34Å; S567-L570 PolarHBondContact O-N 2.95Å; Y568-L570 VanDerWaalsContact C-N 3.33Å; Y568-L570 PolarHBondContact O-N 3.35Å; L570-V572 VanDerWaalsContact C-N 3.32Å; L570-V572 PolarHBondContact O-N 2.9Å; L570-Q574 WeakPolarHBondContact O-CA 3.35Å; L570-Q574 PolarHBondContact O-N 3.23Å; L570-P575 HydrophobicContact CD2-CG 3.77Å; L570-L591 HydrophobicContact CD1-CD2 3.76Å; L570-L591 HydrophobicContact CD2-CD2 3.88Å; L570-L591 HydrophobicContact CG-CD2 4.49Å; L570-Y594 HydrophobicContact CB-CD1 4.17Å; L570-Y594 HydrophobicContact CB-CD2 3.61Å; L570-Y594 HydrophobicContact CB-CE1 4.19Å; L570-Y594 HydrophobicContact CB-CE2 3.64Å; L570-Y594 HydrophobicContact CB-CG 3.89Å; L570-Y594 HydrophobicContact CD1-CD1 4.08Å; L570-Y594 HydrophobicContact CD1-CD2 4.27Å; L570-Y594 HydrophobicContact CD1-CG 3.78Å; L570-Y594 HydrophobicContact CG-CG 4.39Å; L570-Y594 PolarHBondContact O-OH 3.03Å
571D82.1Confident81Confident41 Ų4123.9 Ų23.922%0.21912%0.117CC..Hα-helixtrans-63-36.9177.9-71.5-26.3000112.7S567 Y568 Q574 Y594S567-D571 PolarHBondContact O-N 3.07Å; Y568-D571 PolarHBondContact O-N 3.46Å; D571-Q574 WeakPolarHBondContact O-CG 3.44Å; D571-Y594 WeakPolarHBondContact OD1-CE2 3.3Å
572V81.2Confident82.5Confident60 Ų6020.8 Ų20.836%0.36410%0.102SC..Hα-helixtrans-76.9-45.2179.8172.30000112.1P502 Y568 V569 L570P502-V572 HydrophobicContact CG-CB 4.49Å; P502-V572 HydrophobicContact CG-CG1 4.14Å; Y568-V572 HydrophobicContact CD1-CG2 4.26Å; Y568-V572 HydrophobicContact CD2-CG2 4.4Å; Y568-V572 HydrophobicContact CE1-CG2 3.8Å; Y568-V572 HydrophobicContact CE2-CG2 3.94Å; Y568-V572 VanDerWaalsContact O-CG2 3.29Å; Y568-V572 WeakPolarHBondContact O-CG2 3.36Å; Y568-V572 PolarHBondContact O-N 3.39Å; V569-V572 PolarHBondContact O-N 3.4Å; L570-V572 VanDerWaalsContact C-N 3.32Å; L570-V572 PolarHBondContact O-N 2.9Å
573L83Confident83.7Confident19 Ų1921.3 Ų21.310%0.09911%0.107CC..Hα-helixtrans-85.7-25.2-173.4-65.4-178.7000113.6L398 L501 I529 V569L398-L573 HydrophobicContact CD1-CD1 4.09Å; L501-L573 HydrophobicContact CD2-CD2 3.86Å; I529-L573 HydrophobicContact CD1-CD1 3.78Å; I529-L573 HydrophobicContact CD1-CD2 3.65Å; I529-L573 HydrophobicContact CD1-CG 4.26Å; I529-L573 HydrophobicContact CG2-CD1 4.05Å; V569-L573 HydrophobicContact CG1-CD1 3.57Å; V569-L573 HydrophobicContact CG1-CG 4.2Å; V569-L573 VanDerWaalsContact O-CB 3.32Å; V569-L573 WeakPolarHBondContact O-CB 3.11Å; V569-L573 WeakPolarHBondContact O-CG 3.45Å; V569-L573 PolarHBondContact O-N 3Å
574Q85.1Confident85.2Confident100 Ų10024 Ų2447%0.46712%0.121SC..  trans40.363.5-173.3-58.4-162.7-42.600112.8T396 L570 D571 Y594T396-Q574 PolarHBondContact OG1-O 2.83Å; L570-Q574 WeakPolarHBondContact O-CA 3.35Å; L570-Q574 PolarHBondContact O-N 3.23Å; D571-Q574 WeakPolarHBondContact O-CG 3.44Å; Q574-Y594 WeakPolarHBondContact CA-OH 3.47Å
575P88Confident86.2Confident9 Ų923.3 Ų23.36%0.05812%0.12CC..  trans-64.9143-176.527.6-34.1000112.4T396 L398 L570 V578 L622T396-P575 VanDerWaalsContact OG1-CA 3.28Å; T396-P575 WeakPolarHBondContact OG1-CA 3.48Å; L398-P575 HydrophobicContact CB-CB 3.92Å; L398-P575 HydrophobicContact CB-CG 4.3Å; L398-P575 HydrophobicContact CD2-CG 4.2Å; L570-P575 HydrophobicContact CD2-CG 3.77Å; P575-V578 HydrophobicContact CB-CG2 4.07Å; P575-V578 HydrophobicContact CG-CG2 3.83Å; P575-L622 HydrophobicContact CG-CD1 4.49Å; P575-L622 WeakPolarHBondContact O-CD1 3.43Å
576N86.3Confident86.8Confident40 Ų4021 Ų2121%0.21411%0.114CC..SBendtrans-83.2-37.9168.6-63.295.9000111.6T396 K623T396-N576 PolarHBondContact N-OD1 3.3Å; T396-N576 PolarHBondContact O-N 3.06Å; T396-N576 PolarHBondContact OG1-N 3.21Å; T396-N576 PolarHBondContact OG1-OD1 2.8Å; N576-K623 PolarHBondContact O-N 3.17Å
577Y91.1Very high87.1Confident17 Ų1722 Ų227%0.06712%0.117CC..EExtended strand (participates in β ladder)trans-124.1133.8-178.3-58.5-87000109.9I384 T396 I397 L398 K623 Y625I384-Y577 HydrophobicContact CG1-CD1 4.36Å; I384-Y577 HydrophobicContact CG2-CD1 4.19Å; I384-Y577 HydrophobicContact CG2-CD2 3.91Å; I384-Y577 HydrophobicContact CG2-CE1 4.13Å; I384-Y577 HydrophobicContact CG2-CE2 3.9Å; I384-Y577 HydrophobicContact CG2-CG 4.07Å; T396-Y577 PolarHBondContact O-N 3.5Å; I397-Y577 WeakPolarHBondContact CA-O 3.47Å; I397-Y577 HydrophobicContact CG1-CD2 4.25Å; L398-Y577 PolarHBondContact N-O 2.79Å; Y577-K623 WeakPolarHBondContact CA-O 3.43Å; Y577-K623 HydrophobicContact CD1-CB 3.76Å; Y577-K623 HydrophobicContact CD1-CD 4.35Å; Y577-K623 HydrophobicContact CD1-CG 4.48Å; Y577-K623 HydrophobicContact CE1-CB 4.13Å; Y577-K623 HydrophobicContact CE1-CD 3.88Å; Y577-K623 HydrophobicContact CE1-CG 4.36Å; Y577-Y625 AromaticContact CD1-CE2 3.97Å; Y577-Y625 HydrophobicContact CD1-CE2 3.97Å
578V92.7Very high87.6Confident0 Ų022.7 Ų22.70%012%0.12CC..EExtended strand (participates in β ladder)trans-122.7126.9175178.80000108.9L398 L400 P575 L591 L622 K623 I624 Y625L398-V578 HydrophobicContact CB-CG2 4.35Å; L398-V578 CarbonylContact O-C 3.6Å; L398-V578 WeakPolarHBondContact O-CA 3.45Å; L400-V578 HydrophobicContact CD1-CG1 3.83Å; L400-V578 HydrophobicContact CG-CG1 4.21Å; P575-V578 HydrophobicContact CB-CG2 4.07Å; P575-V578 HydrophobicContact CG-CG2 3.83Å; V578-L591 HydrophobicContact CB-CD2 4.47Å; V578-L591 HydrophobicContact CG1-CD1 3.92Å; V578-L591 HydrophobicContact CG1-CD2 4.07Å; V578-L591 HydrophobicContact CG2-CD2 4.11Å; V578-L622 HydrophobicContact CG2-CD1 3.83Å; V578-L622 HydrophobicContact CG2-CG 4.5Å; V578-K623 PolarHBondContact N-O 3.43Å; V578-I624 CarbonylContact O-C 3.54Å; V578-I624 WeakPolarHBondContact O-CA 3.48Å; V578-Y625 PolarHBondContact O-N 3.39Å
579I93.6Very high88.1Confident0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-109.5111.7176.3-55.1179000108.2L377 L381 I384 I397 L398 I399 L400 Y581 Y625 V627L377-I579 HydrophobicContact CD1-CD1 3.97Å; L377-I579 HydrophobicContact CD1-CG2 3.99Å; L381-I579 HydrophobicContact CD2-CD1 4.08Å; I384-I579 HydrophobicContact CD1-CD1 4.11Å; I397-I579 HydrophobicContact CG2-CD1 3.97Å; I397-I579 HydrophobicContact CG2-CG1 4.25Å; L398-I579 PolarHBondContact O-N 3.29Å; I399-I579 HydrophobicContact CG1-CB 4.32Å; I399-I579 HydrophobicContact CG1-CD1 4.29Å; L400-I579 PolarHBondContact N-O 2.82Å; I579-Y581 PolarHBondContact O-N 2.86Å; I579-Y625 HydrophobicContact CG1-CD2 4.19Å; I579-V627 HydrophobicContact CG2-CG2 4.03Å
580L93Very high88.5Confident2 Ų225.2 Ų25.21%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-82.998.5170.1-68.2167.9000108L400 E582 W587 V588 L591 I624 Y625 F626 V627L400-L580 HydrophobicContact CB-CD2 4.19Å; L400-L580 HydrophobicContact CD1-CD2 3.5Å; L400-L580 HydrophobicContact CG-CD2 4.38Å; L580-E582 VanDerWaalsContact C-N 3.27Å; L580-E582 PolarHBondContact O-N 3.25Å; L580-W587 HydrophobicContact CD2-CB 4Å; L580-W587 HydrophobicContact CD2-CE3 3.91Å; L580-V588 HydrophobicContact CD1-CG2 3.97Å; L580-L591 HydrophobicContact CD1-CD1 4.01Å; L580-L591 HydrophobicContact CD2-CD1 4.07Å; L580-L591 HydrophobicContact CG-CD1 4.23Å; L580-I624 HydrophobicContact CD1-CG2 3.74Å; L580-I624 HydrophobicContact CG-CG2 4.27Å; L580-Y625 PolarHBondContact N-O 2.94Å; L580-F626 HydrophobicContact CB-CD2 4.07Å; L580-F626 HydrophobicContact CD1-CD2 3.72Å; L580-F626 HydrophobicContact CD1-CE2 4.28Å; L580-V627 PolarHBondContact O-N 3.43Å
581Y90.7Very high88.7Confident3 Ų325.2 Ų25.21%0.01213%0.132CC..SBendtrans-71.4-26-178.9-171.4-101.3000112.7K373 W374 L400 T406 L410 I579K373-Y581 HydrophobicContact CB-CE2 3.94Å; K373-Y581 WeakPolarHBondContact CB-OH 3.36Å; K373-Y581 HydrophobicContact CD-CE1 4.18Å; K373-Y581 HydrophobicContact CD-CE2 4.21Å; K373-Y581 PolarHBondContact NZ-O 3.37Å; W374-Y581 VanDerWaalsContact CD1-OH 3.3Å; W374-Y581 PolarHBondContact NE1-OH 2.63Å; L400-Y581 VanDerWaalsContact O-CB 3.32Å; L400-Y581 WeakPolarHBondContact O-CB 3.4Å; L400-Y581 PolarHBondContact O-N 3.36Å; T406-Y581 HydrophobicContact CG2-CD1 4.25Å; T406-Y581 HydrophobicContact CG2-CE1 3.73Å; L410-Y581 HydrophobicContact CD1-CD1 4.31Å; L410-Y581 HydrophobicContact CD1-CD2 4.29Å; L410-Y581 HydrophobicContact CD1-CE1 4.25Å; L410-Y581 HydrophobicContact CD1-CE2 4.2Å; L410-Y581 HydrophobicContact CD1-CG 4.35Å; L410-Y581 HydrophobicContact CD2-CE2 4.08Å; I579-Y581 PolarHBondContact O-N 2.86Å
582E86.2Confident89.2Confident18 Ų1825.3 Ų25.38%0.08413%0.131CC..SBendtrans-136.4142.7177.5-69.3170.8-156.300109.4S402 L580 N584S402-E582 WeakPolarHBondContact CB-OE2 3.46Å; S402-E582 PolarHBondContact OG-OE1 3.12Å; S402-E582 PolarHBondContact OG-OE2 3.42Å; L580-E582 VanDerWaalsContact C-N 3.27Å; L580-E582 PolarHBondContact O-N 3.25Å; E582-N584 PolarHBondContact O-N 3.01Å
583P84.6Confident89.6Confident24 Ų2422.7 Ų22.716%0.15612%0.115CC..  trans-75.6123.2-177.432.8-35.8000110.6F626 L628 E634 Y638P583-F626 HydrophobicContact CB-CE1 4.26Å; P583-F626 HydrophobicContact CB-CE2 3.88Å; P583-F626 HydrophobicContact CB-CZ 3.39Å; P583-L628 HydrophobicContact CB-CD1 4.18Å; P583-L628 HydrophobicContact CG-CD1 3.78Å; P583-E634 VanDerWaalsContact CD-CD 3.48Å; P583-E634 WeakPolarHBondContact CD-OE1 3.3Å; P583-E634 HydrophobicContact CG-CG 3.59Å; P583-Y638 HydrophobicContact CB-CD1 4.48Å; P583-Y638 HydrophobicContact CB-CD2 3.73Å; P583-Y638 HydrophobicContact CB-CE2 4.23Å; P583-Y638 HydrophobicContact CB-CG 3.86Å; P583-Y638 HydrophobicContact CG-CG 4.42Å
584N88.2Confident89.9Confident56 Ų5622.1 Ų22.130%0.29911%0.112SC..  trans-139.1124.9173.1-171.1-12000110.1E582 S586 W587 V588E582-N584 PolarHBondContact O-N 3.01Å; N584-S586 VanDerWaalsContact C-N 3.31Å; N584-S586 PolarHBondContact ND2-OG 3.03Å; N584-S586 PolarHBondContact O-N 3.35Å; N584-S586 PolarHBondContact OD1-N 3.38Å; N584-S586 PolarHBondContact OD1-OG 3.37Å; N584-S586 VanDerWaalsContact OD1-OG 3.05Å; N584-W587 HydrophobicContact CB-CB 4.35Å; N584-W587 HydrophobicContact CB-CD2 3.78Å; N584-W587 HydrophobicContact CB-CE3 3.68Å; N584-W587 HydrophobicContact CB-CG 4.08Å; N584-W587 HydrophobicContact CB-CZ3 4.25Å; N584-W587 PolarHBondContact O-N 3.38Å; N584-V588 WeakPolarHBondContact O-CG2 3.37Å; N584-V588 PolarHBondContact O-N 2.78Å
585V89.6Confident90.1Very high12 Ų1218 Ų187%0.0739%0.093CC..Hα-helixtrans-60.8-39.7-176179.60000111.7R589 Y638 L642V585-R589 VanDerWaalsContact CG1-NH2 3.26Å; V585-R589 WeakPolarHBondContact O-CG 3.45Å; V585-R589 PolarHBondContact O-N 2.87Å; V585-Y638 HydrophobicContact CB-CE2 4.38Å; V585-Y638 HydrophobicContact CG2-CD2 3.84Å; V585-Y638 HydrophobicContact CG2-CE2 3.47Å; V585-Y638 VanDerWaalsContact CG2-CE2 3.47Å; V585-L642 HydrophobicContact CB-CD2 4.36Å; V585-L642 HydrophobicContact CG1-CD2 3.7Å; V585-L642 HydrophobicContact CG2-CD2 3.66Å; V585-L642 HydrophobicContact CG2-CG 3.92Å
586S89.3Confident90.1Very high14 Ų1417.7 Ų17.710%0.0989%0.091CC..Hα-helixtrans-67.6-42.4-178.657.10000112.2D35 N584 V588 R589 E590D35-S586 WeakPolarHBondContact OD2-CB 3.44Å; N584-S586 VanDerWaalsContact C-N 3.31Å; N584-S586 PolarHBondContact ND2-OG 3.03Å; N584-S586 PolarHBondContact O-N 3.35Å; N584-S586 PolarHBondContact OD1-N 3.38Å; N584-S586 PolarHBondContact OD1-OG 3.37Å; N584-S586 VanDerWaalsContact OD1-OG 3.05Å; S586-V588 PolarHBondContact O-N 3.48Å; S586-R589 PolarHBondContact O-N 3.48Å; S586-E590 WeakPolarHBondContact O-CB 3.36Å; S586-E590 WeakPolarHBondContact O-CG 3.21Å; S586-E590 PolarHBondContact O-N 2.92Å
587W91.6Very high90.1Very high21 Ų2116.4 Ų16.48%0.088%0.083CC..Hα-helixtrans-64.5-40.4178.2-64.2-14.6000112.6L400 L566 L580 N584 R589 E590 L591L400-W587 HydrophobicContact CB-CE3 4.09Å; L400-W587 HydrophobicContact CB-CZ3 4.04Å; L400-W587 HydrophobicContact CD1-CE3 4.48Å; L566-W587 HydrophobicContact CD2-CB 4.22Å; L566-W587 HydrophobicContact CD2-CG 4.15Å; L580-W587 HydrophobicContact CD2-CB 4Å; L580-W587 HydrophobicContact CD2-CE3 3.91Å; N584-W587 HydrophobicContact CB-CB 4.35Å; N584-W587 HydrophobicContact CB-CD2 3.78Å; N584-W587 HydrophobicContact CB-CE3 3.68Å; N584-W587 HydrophobicContact CB-CG 4.08Å; N584-W587 HydrophobicContact CB-CZ3 4.25Å; N584-W587 PolarHBondContact O-N 3.38Å; W587-R589 VanDerWaalsContact C-N 3.32Å; W587-R589 PolarHBondContact O-N 2.97Å; W587-E590 PolarHBondContact O-N 3.32Å; W587-L591 WeakPolarHBondContact O-CB 3.38Å; W587-L591 WeakPolarHBondContact O-CG 3.45Å; W587-L591 PolarHBondContact O-N 3.35Å
588V92.3Very high89.8Confident33 Ų3316.7 Ų16.720%0.29%0.085CC..Hα-helixtrans-58.8-47.8176.7174.40000110L580 N584 S586 L591 E592 F626L580-V588 HydrophobicContact CD1-CG2 3.97Å; N584-V588 WeakPolarHBondContact O-CG2 3.37Å; N584-V588 PolarHBondContact O-N 2.78Å; S586-V588 PolarHBondContact O-N 3.48Å; V588-L591 PolarHBondContact O-N 3.08Å; V588-E592 WeakPolarHBondContact O-CG 3.23Å; V588-E592 PolarHBondContact O-N 3.06Å; V588-F626 HydrophobicContact CG2-CE2 4.14Å
589R92.5Very high89.3Confident19 Ų1919.4 Ų19.47%0.07210%0.1CC..Hα-helixtrans-68-39.4179.7-67.5167.4-177.3172.34.2112.8D35 G36 V585 S586 W587 L591 E592 V593 E645D35-R589 WeakPolarHBondContact O-CD 3.38Å; D35-R589 PolarHBondContact O-NH1 3.28Å; G36-R589 CarbonylContact O-C 3.46Å; V585-R589 VanDerWaalsContact CG1-NH2 3.26Å; V585-R589 WeakPolarHBondContact O-CG 3.45Å; V585-R589 PolarHBondContact O-N 2.87Å; S586-R589 PolarHBondContact O-N 3.48Å; W587-R589 VanDerWaalsContact C-N 3.32Å; W587-R589 PolarHBondContact O-N 2.97Å; R589-L591 VanDerWaalsContact C-N 3.27Å; R589-L591 PolarHBondContact O-N 3.01Å; R589-E592 WeakPolarHBondContact O-CB 3.41Å; R589-E592 PolarHBondContact O-N 3.28Å; R589-V593 VanDerWaalsContact O-CG2 3.31Å; R589-V593 WeakPolarHBondContact O-CG2 3.45Å; R589-V593 PolarHBondContact O-N 2.82Å; R589-E645 IonicContact CZ-OE1 3.86Å; R589-E645 VanDerWaalsContact CZ-OE1 3.23Å; R589-E645 IonicContact CZ-OE2 3.26Å; R589-E645 IonicContact NH1-OE1 2.78Å; R589-E645 PolarHBondContact NH1-OE1 3.2Å; R589-E645 IonicContact NH1-OE2 2.68Å; R589-E645 PolarHBondContact NH1-OE2 2.93Å; R589-E645 IonicContact NH2-OE1 3.54Å; R589-E645 PolarHBondContact NH2-OE1 2.74Å; R589-E645 IonicContact NH2-OE2 3.89Å; R589-E645 PolarHBondContact NH2-OE2 3.47Å
590E90.8Very high88.6Confident41 Ų4122.1 Ų22.119%0.19211%0.114CC..Hα-helixtrans-62.7-35.1174.8-75.1-179157.400112G36 L566 S586 W587 Y594G36-E590 PolarHBondContact O-N 3.29Å; L566-E590 WeakPolarHBondContact CB-OE2 3.43Å; L566-E590 HydrophobicContact CD2-CB 4.3Å; L566-E590 WeakPolarHBondContact CD2-OE2 3.43Å; S586-E590 WeakPolarHBondContact O-CB 3.36Å; S586-E590 WeakPolarHBondContact O-CG 3.21Å; S586-E590 PolarHBondContact O-N 2.92Å; W587-E590 PolarHBondContact O-N 3.32Å; E590-Y594 VanDerWaalsContact O-CB 3.29Å; E590-Y594 WeakPolarHBondContact O-CB 3.39Å; E590-Y594 PolarHBondContact O-N 2.61Å
591L91.7Very high87.7Confident0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-70.1-40.2174.7-70.3167.3000112.2L400 L570 V578 L580 W587 V588 R589 Y594 N595 L622 I624L400-L591 HydrophobicContact CD1-CD1 4.42Å; L570-L591 HydrophobicContact CD1-CD2 3.76Å; L570-L591 HydrophobicContact CD2-CD2 3.88Å; L570-L591 HydrophobicContact CG-CD2 4.49Å; V578-L591 HydrophobicContact CB-CD2 4.47Å; V578-L591 HydrophobicContact CG1-CD1 3.92Å; V578-L591 HydrophobicContact CG1-CD2 4.07Å; V578-L591 HydrophobicContact CG2-CD2 4.11Å; L580-L591 HydrophobicContact CD1-CD1 4.01Å; L580-L591 HydrophobicContact CD2-CD1 4.07Å; L580-L591 HydrophobicContact CG-CD1 4.23Å; W587-L591 WeakPolarHBondContact O-CB 3.38Å; W587-L591 WeakPolarHBondContact O-CG 3.45Å; W587-L591 PolarHBondContact O-N 3.35Å; V588-L591 PolarHBondContact O-N 3.08Å; R589-L591 VanDerWaalsContact C-N 3.27Å; R589-L591 PolarHBondContact O-N 3.01Å; L591-Y594 PolarHBondContact O-N 3.46Å; L591-N595 WeakPolarHBondContact O-CB 3.37Å; L591-N595 PolarHBondContact O-N 2.94Å; L591-L622 HydrophobicContact CD2-CD2 4.23Å; L591-I624 HydrophobicContact CB-CD1 3.92Å; L591-I624 HydrophobicContact CD1-CD1 4.13Å; L591-I624 HydrophobicContact CD1-CG2 4.33Å
592E91.5Very high86.7Confident43 Ų4328.8 Ų28.820%0.20114%0.141CC..Hα-helixtrans-58.6-49.7172.1-69.6176.8167.100110.9R193 L202 V588 R589 Y594 N595 A596R193-E592 IonicContact CZ-OE2 2.82Å; R193-E592 VanDerWaalsContact CZ-OE2 3.31Å; R193-E592 IonicContact NE-OE2 3.67Å; R193-E592 PolarHBondContact NE-OE2 2.67Å; R193-E592 IonicContact NH2-OE1 2.9Å; R193-E592 IonicContact NH2-OE2 3.63Å; R193-E592 PolarHBondContact NH2-OE2 2.9Å; L202-E592 HydrophobicContact CD2-CB 4.29Å; V588-E592 WeakPolarHBondContact O-CG 3.23Å; V588-E592 PolarHBondContact O-N 3.06Å; R589-E592 WeakPolarHBondContact O-CB 3.41Å; R589-E592 PolarHBondContact O-N 3.28Å; E592-Y594 VanDerWaalsContact C-N 3.34Å; E592-Y594 PolarHBondContact O-N 3.47Å; E592-N595 PolarHBondContact O-N 3.23Å; E592-A596 PolarHBondContact O-N 3.36Å
593V90.6Very high85.9Confident5 Ų534 Ų343%0.0316%0.164CC..Hα-helixtrans-61.8-41.2178.4170.80000111.4L14 R589 A596 R597L14-V593 HydrophobicContact CD1-CG1 3.95Å; R589-V593 VanDerWaalsContact O-CG2 3.31Å; R589-V593 WeakPolarHBondContact O-CG2 3.45Å; R589-V593 PolarHBondContact O-N 2.82Å; V593-A596 PolarHBondContact O-N 2.83Å; V593-R597 WeakPolarHBondContact O-CG 3.43Å; V593-R597 PolarHBondContact O-N 3.15Å; V593-R597 VanDerWaalsContact O-N 3.09Å
594Y89.4Confident84.9Confident8 Ų835.9 Ų35.93%0.03118%0.177CC..Hα-helixtrans-63.2-43.7175.4173.3-105.2000112L570 D571 Q574 E590 L591 E592 A596 R597 L598 L622L570-Y594 HydrophobicContact CB-CD1 4.17Å; L570-Y594 HydrophobicContact CB-CD2 3.61Å; L570-Y594 HydrophobicContact CB-CE1 4.19Å; L570-Y594 HydrophobicContact CB-CE2 3.64Å; L570-Y594 HydrophobicContact CB-CG 3.89Å; L570-Y594 HydrophobicContact CD1-CD1 4.08Å; L570-Y594 HydrophobicContact CD1-CD2 4.27Å; L570-Y594 HydrophobicContact CD1-CG 3.78Å; L570-Y594 HydrophobicContact CG-CG 4.39Å; L570-Y594 PolarHBondContact O-OH 3.03Å; D571-Y594 WeakPolarHBondContact OD1-CE2 3.3Å; Q574-Y594 WeakPolarHBondContact CA-OH 3.47Å; E590-Y594 VanDerWaalsContact O-CB 3.29Å; E590-Y594 WeakPolarHBondContact O-CB 3.39Å; E590-Y594 PolarHBondContact O-N 2.61Å; L591-Y594 PolarHBondContact O-N 3.46Å; E592-Y594 VanDerWaalsContact C-N 3.34Å; E592-Y594 PolarHBondContact O-N 3.47Å; Y594-A596 VanDerWaalsContact C-N 3.35Å; Y594-A596 PolarHBondContact O-N 3.3Å; Y594-R597 PolarHBondContact O-N 3.26Å; Y594-L598 HydrophobicContact CD1-CD1 4Å; Y594-L598 HydrophobicContact CD1-CG 4.4Å; Y594-L598 HydrophobicContact CE1-CD1 3.33Å; Y594-L598 HydrophobicContact CE1-CG 3.94Å; Y594-L598 HydrophobicContact CE2-CD1 4.35Å; Y594-L598 HydrophobicContact CE2-CD2 4.2Å; Y594-L598 HydrophobicContact CE2-CG 4.09Å; Y594-L598 WeakPolarHBondContact O-CG 3.1Å; Y594-L598 PolarHBondContact O-N 3.4Å; Y594-L622 HydrophobicContact CD1-CD2 4.06Å; Y594-L622 HydrophobicContact CE1-CD2 4.38Å
595N88.9Confident83.6Confident14 Ų1439.1 Ų39.18%0.07519%0.189CC..Hα-helixtrans-63.7-40.3177.4-164.551.2000111.9S205 L591 E592 R597 L598 L599S205-N595 PolarHBondContact O-ND2 2.83Å; L591-N595 WeakPolarHBondContact O-CB 3.37Å; L591-N595 PolarHBondContact O-N 2.94Å; E592-N595 PolarHBondContact O-N 3.23Å; N595-R597 VanDerWaalsContact C-N 3.34Å; N595-R597 PolarHBondContact O-N 3.03Å; N595-L598 PolarHBondContact O-N 2.94Å; N595-L599 PolarHBondContact O-N 3.35Å; N595-L599 VanDerWaalsContact O-N 3.1Å
596A87.7Confident81.9Confident2 Ų243.7 Ų43.72%0.01721%0.213CC..Hα-helixtrans-58.1-44.6173.600000112.1L14 L202 S205 E592 V593 Y594 L599 I600L14-A596 HydrophobicContact CD1-CB 4.15Å; L14-A596 HydrophobicContact CD2-CB 4.05Å; L202-A596 HydrophobicContact CD2-CB 4.04Å; S205-A596 WeakPolarHBondContact OG-CA 3.39Å; S205-A596 VanDerWaalsContact OG-CB 3.28Å; S205-A596 WeakPolarHBondContact OG-CB 3.43Å; E592-A596 PolarHBondContact O-N 3.36Å; V593-A596 PolarHBondContact O-N 2.83Å; Y594-A596 VanDerWaalsContact C-N 3.35Å; Y594-A596 PolarHBondContact O-N 3.3Å; A596-L599 WeakPolarHBondContact O-CB 3.36Å; A596-L599 PolarHBondContact O-N 3.47Å; A596-I600 PolarHBondContact O-N 3.45Å
597R86.4Confident80.1Confident13 Ų1351 Ų515%0.04925%0.245CC..Hα-helixtrans-67.7-40177.6-71.9179-177.9163.8-1.2113.3Y11 L14 E17 T41 V593 Y594 N595 L599 I600 Q601Y11-R597 VanDerWaalsContact CD1-CZ 3.42Å; L14-R597 HydrophobicContact CD1-CG 4.4Å; L14-R597 HydrophobicContact CD2-CG 3.86Å; L14-R597 HydrophobicContact CG-CG 4.22Å; E17-R597 IonicContact OE1-CZ 2.82Å; E17-R597 IonicContact OE1-NH2 3.68Å; E17-R597 PolarHBondContact OE1-NH2 3.23Å; E17-R597 IonicContact OE2-NH2 2.75Å; T41-R597 PolarHBondContact OG1-NH2 2.74Å; V593-R597 WeakPolarHBondContact O-CG 3.43Å; V593-R597 PolarHBondContact O-N 3.15Å; V593-R597 VanDerWaalsContact O-N 3.09Å; Y594-R597 PolarHBondContact O-N 3.26Å; N595-R597 VanDerWaalsContact C-N 3.34Å; N595-R597 PolarHBondContact O-N 3.03Å; R597-L599 PolarHBondContact O-N 3.42Å; R597-I600 PolarHBondContact O-N 3.31Å; R597-Q601 WeakPolarHBondContact O-CG 2.86Å; R597-Q601 PolarHBondContact O-N 3.18Å
598L83.9Confident78.2Confident22 Ų2254.8 Ų54.812%0.11528%0.275CS..Hα-helixtrans-58.3-37.6174.5-78-177.7000111.6Y594 N595 R602Y594-L598 HydrophobicContact CD1-CD1 4Å; Y594-L598 HydrophobicContact CD1-CG 4.4Å; Y594-L598 HydrophobicContact CE1-CD1 3.33Å; Y594-L598 HydrophobicContact CE1-CG 3.94Å; Y594-L598 HydrophobicContact CE2-CD1 4.35Å; Y594-L598 HydrophobicContact CE2-CD2 4.2Å; Y594-L598 HydrophobicContact CE2-CG 4.09Å; Y594-L598 WeakPolarHBondContact O-CG 3.1Å; Y594-L598 PolarHBondContact O-N 3.4Å; N595-L598 PolarHBondContact O-N 2.94Å; L598-R602 WeakPolarHBondContact O-CD 3.33Å; L598-R602 WeakPolarHBondContact O-CG 3.4Å; L598-R602 PolarHBondContact O-N 3.01Å
599L81.9Confident76.1Confident58 Ų5856.6 Ų56.630%0.30429%0.289SS..Hα-helixtrans-66.3-45.9177.9177.4148.1000111.6N595 A596 R597 Q601 R602 F603N595-L599 PolarHBondContact O-N 3.35Å; N595-L599 VanDerWaalsContact O-N 3.1Å; A596-L599 WeakPolarHBondContact O-CB 3.36Å; A596-L599 PolarHBondContact O-N 3.47Å; R597-L599 PolarHBondContact O-N 3.42Å; L599-Q601 PolarHBondContact O-N 3.45Å; L599-R602 WeakPolarHBondContact O-CB 3.25Å; L599-R602 PolarHBondContact O-N 2.81Å; L599-R602 VanDerWaalsContact O-N 3.13Å; L599-F603 HydrophobicContact CD1-CE2 4.46Å; L599-F603 HydrophobicContact CD2-CD2 3.71Å; L599-F603 HydrophobicContact CD2-CE2 3.44Å; L599-F603 VanDerWaalsContact CD2-CE2 3.44Å; L599-F603 HydrophobicContact CG-CD2 4.13Å; L599-F603 HydrophobicContact CG-CE2 3.73Å; L599-F603 VanDerWaalsContact O-CD2 3.23Å; L599-F603 WeakPolarHBondContact O-CD2 3.41Å; L599-F603 PolarHBondContact O-N 2.86Å; L599-F603 VanDerWaalsContact O-N 3.14Å
600I79Confident73.7Confident56 Ų5660.8 Ų60.829%0.28732%0.321SS..Hα-helixtrans-62.3-45.5177.2-61.2176.4000111.5E12 L14 A596 R597 R602 F603 S604E12-I600 HydrophobicContact CB-CG2 4.44Å; E12-I600 VanDerWaalsContact OE2-CG2 3.29Å; E12-I600 WeakPolarHBondContact OE2-CG2 3.27Å; L14-I600 HydrophobicContact CD2-CD1 3.39Å; A596-I600 PolarHBondContact O-N 3.45Å; R597-I600 PolarHBondContact O-N 3.31Å; I600-R602 PolarHBondContact O-N 3.32Å; I600-R602 VanDerWaalsContact O-N 3.11Å; I600-F603 PolarHBondContact O-N 3.07Å; I600-S604 PolarHBondContact O-N 3.28Å
601Q75.7Confident71.2Confident58 Ų5866.2 Ų66.227%0.27135%0.352SS..Hα-helixtrans-60.7-25.2177.5-71.9178.38.800112.9E12 R597 L599 K605E12-Q601 WeakPolarHBondContact OE2-CG 3.33Å; R597-Q601 WeakPolarHBondContact O-CG 2.86Å; R597-Q601 PolarHBondContact O-N 3.18Å; L599-Q601 PolarHBondContact O-N 3.45Å; Q601-K605 WeakPolarHBondContact O-CG 3.47Å
602R69.5Low68.5Low88 Ų8875 Ų7533%0.33240%0.397SS..Hα-helixtrans-78-40.6174.9-71.7166.6-175.2-165.12.1111.2L598 L599 I600 K605 N606 P620L598-R602 WeakPolarHBondContact O-CD 3.33Å; L598-R602 WeakPolarHBondContact O-CG 3.4Å; L598-R602 PolarHBondContact O-N 3.01Å; L599-R602 WeakPolarHBondContact O-CB 3.25Å; L599-R602 PolarHBondContact O-N 2.81Å; L599-R602 VanDerWaalsContact O-N 3.13Å; I600-R602 PolarHBondContact O-N 3.32Å; I600-R602 VanDerWaalsContact O-N 3.11Å; R602-K605 PolarHBondContact O-N 3.16Å; R602-N606 PolarHBondContact O-N 3Å; R602-N606 VanDerWaalsContact O-N 3.14Å; R602-P620 PolarHBondContact NH2-O 3.23Å
603F69.5Low65.6Low128 Ų12876.2 Ų76.256%0.56142%0.421SS*.Hα-helixtrans-61.5-45.8174.6-79.7-72.3000112.2L599 I600 K605 N606 E607L599-F603 HydrophobicContact CD1-CE2 4.46Å; L599-F603 HydrophobicContact CD2-CD2 3.71Å; L599-F603 HydrophobicContact CD2-CE2 3.44Å; L599-F603 VanDerWaalsContact CD2-CE2 3.44Å; L599-F603 HydrophobicContact CG-CD2 4.13Å; L599-F603 HydrophobicContact CG-CE2 3.73Å; L599-F603 VanDerWaalsContact O-CD2 3.23Å; L599-F603 WeakPolarHBondContact O-CD2 3.41Å; L599-F603 PolarHBondContact O-N 2.86Å; L599-F603 VanDerWaalsContact O-N 3.14Å; I600-F603 PolarHBondContact O-N 3.07Å; F603-K605 PolarHBondContact O-N 2.94Å; F603-N606 PolarHBondContact O-N 3.11Å; F603-E607 PolarHBondContact O-N 2.66Å
604S63.5Low62.9Low62 Ų6284 Ų8443%0.43446%0.457SS..Hα-helixtrans-57.5-33.4177.5-176.10000113I600 S608I600-S604 PolarHBondContact O-N 3.28Å; S604-S608 PolarHBondContact O-OG 2.84Å
605K61.2Low60Low125 Ų12593.9 Ų93.954%0.54349%0.494SS..Hα-helixtrans-78.1-33175.8-71.9174.4-172.51680113.9Q601 R602 F603 S608 S609Q601-K605 WeakPolarHBondContact O-CG 3.47Å; R602-K605 PolarHBondContact O-N 3.16Å; F603-K605 PolarHBondContact O-N 2.94Å; K605-S608 PolarHBondContact O-OG 3.14Å; K605-S608 VanDerWaalsContact O-OG 3.08Å; K605-S609 PolarHBondContact O-OG 2.54Å
606N52.3Low57.3Low107 Ų10799.6 Ų99.657%0.57252%0.524SS*.Hα-helixtrans-74.3-32.1-177.8-72.5-13.4000112.2R602 F603 S608 S609R602-N606 PolarHBondContact O-N 3Å; R602-N606 VanDerWaalsContact O-N 3.14Å; F603-N606 PolarHBondContact O-N 3.11Å; N606-S608 VanDerWaalsContact C-N 3.3Å; N606-S608 PolarHBondContact O-N 3.46Å; N606-S609 PolarHBondContact O-N 3.05Å; N606-S609 PolarHBondContact O-OG 2.97Å; N606-S609 VanDerWaalsContact O-OG 3.14Å
607E52.6Low54.9Low168 Ų168108.2 Ų108.279%0.78557%0.57SS**Hα-helixtrans-68.6-26.7176.8-70.4-170.8162.700113.4F603 S609F603-E607 PolarHBondContact O-N 2.66Å; E607-S609 VanDerWaalsContact C-N 3.32Å
608S51.2Low53Low100 Ų100111.9 Ų111.970%0.69960%0.598SS**THydrogen-bonded Turntrans-81.9-9.2176.733.20000113.7S604 K605 N606S604-S608 PolarHBondContact O-OG 2.84Å; K605-S608 PolarHBondContact O-OG 3.14Å; K605-S608 VanDerWaalsContact O-OG 3.08Å; N606-S608 VanDerWaalsContact C-N 3.3Å; N606-S608 PolarHBondContact O-N 3.46Å
609S49.3Very low51.2Low72 Ų72116.4 Ų116.450%0.50362%0.622SS.*  trans-112.270.4176.849.80000111.5K605 N606 E607 N611K605-S609 PolarHBondContact O-OG 2.54Å; N606-S609 PolarHBondContact O-N 3.05Å; N606-S609 PolarHBondContact O-OG 2.97Å; N606-S609 VanDerWaalsContact O-OG 3.14Å; E607-S609 VanDerWaalsContact C-N 3.32Å; S609-N611 PolarHBondContact O-N 3.36Å
610S40.8Very low49.9Very low107 Ų107116.6 Ų116.675%0.74863%0.627SS**  trans-75.355.7174.765.20000113
611N39.4Very low49.5Very low155 Ų155116.6 Ų116.683%0.82963%0.631SS**  trans-120.1113.7169.3-83-23.5000110.8S609 G613S609-N611 PolarHBondContact O-N 3.36Å; N611-G613 PolarHBondContact O-N 2.98Å
612I34Very low50Low185 Ų185114.1 Ų114.195%0.94962%0.62SS**  trans-46.3120171.7-63.8155000110.3
613G31.4Very low51Low68 Ų68112.8 Ų112.870%0.70162%0.616SS**  trans172.783.6177.500000112.9N611N611-G613 PolarHBondContact O-N 2.98Å
614E33.2Very low52.1Low167 Ų167107.1 Ų107.178%0.7859%0.592SS**  trans9.3122.4154.5-61.8-178.2148.300119.3
615R28.7Very low53.5Low216 Ų216104.2 Ų104.282%0.81557%0.571SS**  trans61.3101.4137.9-61.9176177.3178.30.4117
616N31.8Very low55Low134 Ų13499.1 Ų99.172%0.71755%0.549SS*.  -155.987.6127.9-87.3-27.8000109.6S618N616-S618 PolarHBondContact O-N 2.98Å
617N36.9Very low57Low184 Ų18494.1 Ų94.198%0.98452%0.523SS*.  trans-70.830170.6-86.8-4.3000112.9
618S47.1Very low58.8Low90 Ų9086.6 Ų86.663%0.62949%0.488SS*.  trans-122.750.2-174.357.40000111.6N616N616-S618 PolarHBondContact O-N 2.98Å
619L47Very low60.8Low116 Ų11681.9 Ų81.961%0.60746%0.455SS*.PPolyproline II helixtrans-85.5131.4165.7-90.686.6000109.3S621L619-S621 PolarHBondContact O-N 3.3Å
620P54.7Low62.7Low63 Ų6381.2 Ų81.241%0.40944%0.444SS..PPolyproline II helixtrans-62.5122-173.623.9-31.4000110.2R602R602-P620 PolarHBondContact NH2-O 3.23Å
621S70.4Confident65Low55 Ų5582.8 Ų82.839%0.38544%0.444SS..PPolyproline II helixtrans-61.6148.5160.446.60000108.7L619 K623L619-S621 PolarHBondContact O-N 3.3Å; S621-K623 PolarHBondContact O-N 2.86Å; S621-K623 VanDerWaalsContact O-N 3.16Å
622L86Confident67.4Low6 Ų675.7 Ų75.73%0.03141%0.406CS..PPolyproline II helixtrans-62118.2169-177.268.3000107.9D208 P575 V578 L591 Y594 I624D208-L622 PolarHBondContact N-O 3.28Å; P575-L622 HydrophobicContact CG-CD1 4.49Å; P575-L622 WeakPolarHBondContact O-CD1 3.43Å; V578-L622 HydrophobicContact CG2-CD1 3.83Å; V578-L622 HydrophobicContact CG2-CG 4.5Å; L591-L622 HydrophobicContact CD2-CD2 4.23Å; Y594-L622 HydrophobicContact CD1-CD2 4.06Å; Y594-L622 HydrophobicContact CE1-CD2 4.38Å; L622-I624 HydrophobicContact CD2-CD1 4.16Å; L622-I624 HydrophobicContact CD2-CG1 4.2Å; L622-I624 HydrophobicContact CG-CG1 4.1Å
623K89.7Confident70Confident60 Ų6067.3 Ų67.326%0.26136%0.363SS..EExtended strand (participates in β ladder)trans-94123.1175.2-69.6-157.9169-137.50110.1D208 E210 N576 Y577 V578 S621D208-K623 HydrophobicContact CB-CG 4.2Å; D208-K623 WeakPolarHBondContact O-CA 3.45Å; D208-K623 WeakPolarHBondContact OD2-CE 3.44Å; D208-K623 IonicContact OD2-NZ 3.71Å; D208-K623 PolarHBondContact OD2-NZ 3.25Å; E210-K623 IonicContact OE1-NZ 2.89Å; N576-K623 PolarHBondContact O-N 3.17Å; Y577-K623 WeakPolarHBondContact CA-O 3.43Å; Y577-K623 HydrophobicContact CD1-CB 3.76Å; Y577-K623 HydrophobicContact CD1-CD 4.35Å; Y577-K623 HydrophobicContact CD1-CG 4.48Å; Y577-K623 HydrophobicContact CE1-CB 4.13Å; Y577-K623 HydrophobicContact CE1-CD 3.88Å; Y577-K623 HydrophobicContact CE1-CG 4.36Å; V578-K623 PolarHBondContact N-O 3.43Å; S621-K623 PolarHBondContact O-N 2.86Å; S621-K623 VanDerWaalsContact O-N 3.16Å
624I92.7Very high72.8Confident9 Ų965 Ų655%0.04634%0.335CS..EExtended strand (participates in β ladder)trans-114.6120.3-176.5-54.9175.4000108.7P207 D208 V209 E210 V578 L580 L591 L622P207-I624 HydrophobicContact CB-CD1 3.59Å; P207-I624 HydrophobicContact CB-CG1 4.25Å; P207-I624 HydrophobicContact CG-CD1 3.65Å; D208-I624 PolarHBondContact O-N 3.04Å; V209-I624 WeakPolarHBondContact CA-O 3.43Å; V209-I624 HydrophobicContact CG2-CB 4.36Å; E210-I624 PolarHBondContact N-O 3.44Å; V578-I624 CarbonylContact O-C 3.54Å; V578-I624 WeakPolarHBondContact O-CA 3.48Å; L580-I624 HydrophobicContact CD1-CG2 3.74Å; L580-I624 HydrophobicContact CG-CG2 4.27Å; L591-I624 HydrophobicContact CB-CD1 3.92Å; L591-I624 HydrophobicContact CD1-CD1 4.13Å; L591-I624 HydrophobicContact CD1-CG2 4.33Å; L622-I624 HydrophobicContact CD2-CD1 4.16Å; L622-I624 HydrophobicContact CD2-CG1 4.2Å; L622-I624 HydrophobicContact CG-CG1 4.1Å
625Y94Very high75.5Confident1 Ų159.5 Ų59.50%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-96.9122171.7-67.9-84.6000109.7E210 V212 L380 I384 Y577 V578 I579 L580E210-Y625 HydrophobicContact CB-CD1 3.94Å; E210-Y625 HydrophobicContact CB-CE1 4.04Å; E210-Y625 HydrophobicContact CG-CE1 4.48Å; E210-Y625 WeakPolarHBondContact O-CA 3.27Å; E210-Y625 WeakPolarHBondContact OE2-CE1 3.42Å; V212-Y625 HydrophobicContact CG2-CD1 4.14Å; L380-Y625 HydrophobicContact CD2-CD1 3.86Å; L380-Y625 HydrophobicContact CD2-CE1 4.01Å; I384-Y625 HydrophobicContact CD1-CD2 4.05Å; I384-Y625 HydrophobicContact CD1-CE2 3.58Å; I384-Y625 HydrophobicContact CG1-CE2 3.8Å; Y577-Y625 AromaticContact CD1-CE2 3.97Å; Y577-Y625 HydrophobicContact CD1-CE2 3.97Å; V578-Y625 PolarHBondContact O-N 3.39Å; I579-Y625 HydrophobicContact CG1-CD2 4.19Å; L580-Y625 PolarHBondContact N-O 2.94Å
626F92.8Very high78.4Confident18 Ų1852 Ų528%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-105.4102.8-179.9-168.8-105.7000110.4E210 E211 V212 L580 P583 V588 L628 Y638E210-F626 PolarHBondContact O-N 2.9Å; E211-F626 HydrophobicContact CG-CB 4.49Å; E211-F626 HydrophobicContact CG-CD1 4.49Å; V212-F626 PolarHBondContact N-O 3.08Å; L580-F626 HydrophobicContact CB-CD2 4.07Å; L580-F626 HydrophobicContact CD1-CD2 3.72Å; L580-F626 HydrophobicContact CD1-CE2 4.28Å; P583-F626 HydrophobicContact CB-CE1 4.26Å; P583-F626 HydrophobicContact CB-CE2 3.88Å; P583-F626 HydrophobicContact CB-CZ 3.39Å; V588-F626 HydrophobicContact CG2-CE2 4.14Å; F626-L628 HydrophobicContact CD1-CB 4.39Å; F626-L628 HydrophobicContact CE1-CB 4.27Å; F626-L628 HydrophobicContact CE1-CD1 4.45Å; F626-L628 HydrophobicContact CE1-CD2 4.41Å; F626-Y638 HydrophobicContact CZ-CE1 4.09Å; F626-Y638 HydrophobicContact CZ-CE2 4.48Å
627V92.6Very high81.1Confident2 Ų249.3 Ų49.31%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-93.5114.2-175.4-173.10000110.5V212 V214 K373 L380 I579 L580V212-V627 HydrophobicContact CB-CG2 4.31Å; V214-V627 HydrophobicContact CG2-CG1 3.88Å; K373-V627 HydrophobicContact CD-CG1 4.34Å; K373-V627 HydrophobicContact CG-CG1 3.99Å; L380-V627 HydrophobicContact CD1-CG2 3.98Å; I579-V627 HydrophobicContact CG2-CG2 4.03Å; L580-V627 PolarHBondContact O-N 3.43Å
628L91.7Very high83.7Confident11 Ų1142.6 Ų42.66%0.05822%0.224CC..EExtended strand (participates in β ladder)trans-129.7139.2-175.5-172.771.3000111.5V212 V214 P583 F626 E634 E635V212-L628 PolarHBondContact O-N 2.9Å; V214-L628 PolarHBondContact N-O 3.05Å; P583-L628 HydrophobicContact CB-CD1 4.18Å; P583-L628 HydrophobicContact CG-CD1 3.78Å; F626-L628 HydrophobicContact CD1-CB 4.39Å; F626-L628 HydrophobicContact CE1-CB 4.27Å; F626-L628 HydrophobicContact CE1-CD1 4.45Å; F626-L628 HydrophobicContact CE1-CD2 4.41Å; L628-E634 HydrophobicContact CD1-CG 4.37Å; L628-E635 HydrophobicContact CD1-CB 4.05Å; L628-E635 HydrophobicContact CD2-CB 4.01Å; L628-E635 HydrophobicContact CD2-CG 3.91Å; L628-E635 HydrophobicContact CG-CB 4.17Å
629Y92.6Very high85.8Confident0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-79.1121.6166-75.1-61.7000111.5V214 L216 I297 S371 P372 K373 S632 E634V214-Y629 HydrophobicContact CB-CD1 3.9Å; V214-Y629 HydrophobicContact CB-CE1 4.16Å; V214-Y629 HydrophobicContact CG1-CD1 3.86Å; V214-Y629 HydrophobicContact CG1-CE1 3.66Å; V214-Y629 VanDerWaalsContact O-CA 3.27Å; V214-Y629 WeakPolarHBondContact O-CA 3.36Å; V214-Y629 WeakPolarHBondContact O-CD1 3.07Å; L216-Y629 HydrophobicContact CD2-CD1 3.6Å; L216-Y629 HydrophobicContact CD2-CD2 4.2Å; L216-Y629 HydrophobicContact CD2-CE1 3.94Å; L216-Y629 HydrophobicContact CD2-CE2 4.49Å; L216-Y629 HydrophobicContact CD2-CG 3.76Å; L216-Y629 HydrophobicContact CG-CD1 4.24Å; L216-Y629 HydrophobicContact CG-CG 4.44Å; I297-Y629 HydrophobicContact CG2-CD2 3.81Å; I297-Y629 HydrophobicContact CG2-CE2 3.85Å; S371-Y629 PolarHBondContact OG-OH 3.05Å; S371-Y629 VanDerWaalsContact OG-OH 3.07Å; P372-Y629 HydrophobicContact CB-CE1 4.28Å; K373-Y629 HydrophobicContact CD-CD2 4.09Å; K373-Y629 HydrophobicContact CD-CE1 4.36Å; K373-Y629 HydrophobicContact CD-CE2 3.44Å; K373-Y629 VanDerWaalsContact CD-CE2 3.44Å; K373-Y629 HydrophobicContact CG-CE1 3.8Å; K373-Y629 HydrophobicContact CG-CE2 3.83Å; K373-Y629 VanDerWaalsContact CG-CZ 3.41Å; K373-Y629 WeakPolarHBondContact CG-OH 3.3Å; Y629-S632 VanDerWaalsContact CB-CB 3.48Å; Y629-S632 VanDerWaalsContact CB-OG 3.31Å; Y629-S632 WeakPolarHBondContact CB-OG 3.45Å; Y629-S632 WeakPolarHBondContact O-CB 3.45Å; Y629-S632 PolarHBondContact O-OG 2.95Å; Y629-E634 VanDerWaalsContact CD2-OE2 3.25Å; Y629-E634 WeakPolarHBondContact CD2-OE2 3.48Å
630E90Very high87.8Confident59 Ų5936 Ų3628%0.27618%0.182SC..THydrogen-bonded Turntrans-65.2141.3175.4-61.7-177.5156.800111.9H213 V214 K215 S632H213-E630 HydrophobicContact CB-CG 3.58Å; H213-E630 WeakPolarHBondContact CB-OE1 3.41Å; H213-E630 IonicContact CG-OE1 3.35Å; V214-E630 PolarHBondContact O-N 2.89Å; K215-E630 VanDerWaalsContact CE-OE2 3.25Å; K215-E630 WeakPolarHBondContact CE-OE2 3.33Å; K215-E630 WeakPolarHBondContact CG-OE2 3.38Å; E630-S632 PolarHBondContact O-N 2.86Å; E630-S632 VanDerWaalsContact O-N 3.11Å
631N87.8Confident89.5Confident140 Ų14034.9 Ų34.975%0.74918%0.176SC*.THydrogen-bonded Turntrans53.830.7176.2-62.2-55.3000113Q224 E635Q224-N631 PolarHBondContact NE2-O 3.07Å; N631-E635 PolarHBondContact N-OE2 3.25Å
632S90.2Very high90.4Very high5 Ų535 Ų354%0.03517%0.172CC..SBendtrans-104.3164.4-175.574.60000111.9Y629 E630 E634 E635 Q636Y629-S632 VanDerWaalsContact CB-CB 3.48Å; Y629-S632 VanDerWaalsContact CB-OG 3.31Å; Y629-S632 WeakPolarHBondContact CB-OG 3.45Å; Y629-S632 WeakPolarHBondContact O-CB 3.45Å; Y629-S632 PolarHBondContact O-OG 2.95Å; E630-S632 PolarHBondContact O-N 2.86Å; E630-S632 VanDerWaalsContact O-N 3.11Å; S632-E634 PolarHBondContact O-N 2.63Å; S632-E634 PolarHBondContact OG-N 2.85Å; S632-E635 PolarHBondContact O-N 2.8Å; S632-E635 PolarHBondContact OG-N 2.98Å; S632-Q636 PolarHBondContact O-N 3.11Å; S632-Q636 VanDerWaalsContact O-N 3.12Å
633V89.6Confident90.7Very high9 Ų941.2 Ų41.26%0.05520%0.195CC..Hα-helixtrans-64.5-26.7170.8167.60000112Q224 L228 L256 L293 I297 R637Q224-V633 HydrophobicContact CG-CG2 3.84Å; L228-V633 HydrophobicContact CD1-CG2 4.15Å; L228-V633 HydrophobicContact CD2-CG2 4.23Å; L256-V633 HydrophobicContact CD1-CG1 4.26Å; L256-V633 HydrophobicContact CD2-CG1 3.86Å; L256-V633 HydrophobicContact CG-CG1 4.46Å; L293-V633 HydrophobicContact CD1-CG2 4.18Å; L293-V633 HydrophobicContact CD2-CB 4.42Å; L293-V633 HydrophobicContact CD2-CG1 3.8Å; L293-V633 HydrophobicContact CD2-CG2 4.13Å; L293-V633 HydrophobicContact CG-CG1 4.15Å; L293-V633 HydrophobicContact CG-CG2 4.44Å; I297-V633 HydrophobicContact CD1-CB 4.02Å; V633-R637 WeakPolarHBondContact O-CB 3.45Å; V633-R637 PolarHBondContact O-N 3Å
634E88.7Confident90.7Very high20 Ų2040.4 Ų40.49%0.09319%0.192CC..Hα-helixtrans-64.3-48.5176.2178.8-178.5-141.200111.3I297 K373 P583 L628 Y629 S632 R637 Y638I297-E634 HydrophobicContact CD1-CB 4.2Å; I297-E634 HydrophobicContact CG2-CB 4.21Å; K373-E634 WeakPolarHBondContact CE-OE2 3.44Å; K373-E634 IonicContact NZ-OE1 3.19Å; K373-E634 PolarHBondContact NZ-OE1 3.27Å; K373-E634 IonicContact NZ-OE2 4Å; K373-E634 PolarHBondContact NZ-OE2 3.02Å; P583-E634 VanDerWaalsContact CD-CD 3.48Å; P583-E634 WeakPolarHBondContact CD-OE1 3.3Å; P583-E634 HydrophobicContact CG-CG 3.59Å; L628-E634 HydrophobicContact CD1-CG 4.37Å; Y629-E634 VanDerWaalsContact CD2-OE2 3.25Å; Y629-E634 WeakPolarHBondContact CD2-OE2 3.48Å; S632-E634 PolarHBondContact O-N 2.63Å; S632-E634 PolarHBondContact OG-N 2.85Å; E634-R637 PolarHBondContact O-N 2.81Å; E634-Y638 PolarHBondContact O-N 2.99Å
635E90.6Very high90.6Very high51 Ų5140.7 Ų40.724%0.23819%0.193CC..Hα-helixtrans-61.1-50.3174.7174.2176.8-163.700111.6L628 N631 S632 R637 Y638 L639L628-E635 HydrophobicContact CD1-CB 4.05Å; L628-E635 HydrophobicContact CD2-CB 4.01Å; L628-E635 HydrophobicContact CD2-CG 3.91Å; L628-E635 HydrophobicContact CG-CB 4.17Å; N631-E635 PolarHBondContact N-OE2 3.25Å; S632-E635 PolarHBondContact O-N 2.8Å; S632-E635 PolarHBondContact OG-N 2.98Å; E635-R637 VanDerWaalsContact C-N 3.27Å; E635-R637 PolarHBondContact O-N 2.93Å; E635-Y638 PolarHBondContact O-N 2.86Å; E635-Y638 VanDerWaalsContact O-N 3.14Å; E635-L639 HydrophobicContact CG-CD1 3.95Å; E635-L639 HydrophobicContact CG-CG 4.4Å; E635-L639 WeakPolarHBondContact O-CG 3.42Å; E635-L639 PolarHBondContact O-N 2.85Å
636Q90.4Very high90.5Very high60 Ų6046.2 Ų46.228%0.2822%0.217SC..Hα-helixtrans-57.8-42.8178.7-177.664.811.100111.2L256 S632 Y638 L639 T640L256-Q636 HydrophobicContact CD1-CG 4.33Å; S632-Q636 PolarHBondContact O-N 3.11Å; S632-Q636 VanDerWaalsContact O-N 3.12Å; Q636-Y638 PolarHBondContact O-N 2.93Å; Q636-L639 PolarHBondContact O-N 3.15Å; Q636-T640 PolarHBondContact NE2-OG1 2.89Å; Q636-T640 VanDerWaalsContact O-CB 3.31Å; Q636-T640 WeakPolarHBondContact O-CB 3.34Å; Q636-T640 PolarHBondContact O-N 3.47Å; Q636-T640 PolarHBondContact O-OG1 3.12Å
637R88.8Confident90.5Very high76 Ų7650.9 Ų50.929%0.28724%0.239SC..Hα-helixtrans-61.7-43178.1-179.3180172.2-165.80.2111.8H294 V633 E634 E635 S641H294-R637 PolarHBondContact CE1-NH1 3.33Å; H294-R637 VanDerWaalsContact CE1-NH1 3.29Å; V633-R637 WeakPolarHBondContact O-CB 3.45Å; V633-R637 PolarHBondContact O-N 3Å; E634-R637 PolarHBondContact O-N 2.81Å; E635-R637 VanDerWaalsContact C-N 3.27Å; E635-R637 PolarHBondContact O-N 2.93Å; R637-S641 WeakPolarHBondContact O-CB 3.37Å; R637-S641 PolarHBondContact O-N 3.23Å
638Y90Very high90.5Very high43 Ų4351 Ų5117%0.16924%0.24CC..Hα-helixtrans-62.6-49.4176.6178.2-108.8000111.6P583 V585 F626 E634 E635 Q636 S641 L642P583-Y638 HydrophobicContact CB-CD1 4.48Å; P583-Y638 HydrophobicContact CB-CD2 3.73Å; P583-Y638 HydrophobicContact CB-CE2 4.23Å; P583-Y638 HydrophobicContact CB-CG 3.86Å; P583-Y638 HydrophobicContact CG-CG 4.42Å; V585-Y638 HydrophobicContact CB-CE2 4.38Å; V585-Y638 HydrophobicContact CG2-CD2 3.84Å; V585-Y638 HydrophobicContact CG2-CE2 3.47Å; V585-Y638 VanDerWaalsContact CG2-CE2 3.47Å; F626-Y638 HydrophobicContact CZ-CE1 4.09Å; F626-Y638 HydrophobicContact CZ-CE2 4.48Å; E634-Y638 PolarHBondContact O-N 2.99Å; E635-Y638 PolarHBondContact O-N 2.86Å; E635-Y638 VanDerWaalsContact O-N 3.14Å; Q636-Y638 PolarHBondContact O-N 2.93Å; Y638-S641 WeakPolarHBondContact O-CB 3.22Å; Y638-S641 PolarHBondContact O-N 3.48Å; Y638-L642 HydrophobicContact CD1-CD1 4.22Å; Y638-L642 HydrophobicContact CE1-CD1 3.68Å; Y638-L642 HydrophobicContact CE2-CD1 4.43Å; Y638-L642 PolarHBondContact O-N 3.18Å; Y638-L642 VanDerWaalsContact O-N 3.13Å
639L91.9Very high90.6Very high59 Ų5950.6 Ų50.631%0.30924%0.238SC..Hα-helixtrans-64-43.1179.2-66.7176.6000112.5E635 Q636 S641 L642 R643E635-L639 HydrophobicContact CG-CD1 3.95Å; E635-L639 HydrophobicContact CG-CG 4.4Å; E635-L639 WeakPolarHBondContact O-CG 3.42Å; E635-L639 PolarHBondContact O-N 2.85Å; Q636-L639 PolarHBondContact O-N 3.15Å; L639-S641 VanDerWaalsContact C-N 3.3Å; L639-S641 PolarHBondContact O-N 3.5Å; L639-L642 PolarHBondContact O-N 3.02Å; L639-R643 WeakPolarHBondContact O-CG 3.43Å; L639-R643 PolarHBondContact O-N 3.49Å
640T89.8Confident90.7Very high9 Ų954.5 Ų54.56%0.05526%0.256CS..Hα-helixtrans-63.3-37.6176-59.30000111.2L257 Q636 R643 K644L257-T640 HydrophobicContact CD1-CG2 4.25Å; L257-T640 HydrophobicContact CD2-CG2 3.91Å; L257-T640 HydrophobicContact CG-CG2 4.4Å; Q636-T640 PolarHBondContact NE2-OG1 2.89Å; Q636-T640 VanDerWaalsContact O-CB 3.31Å; Q636-T640 WeakPolarHBondContact O-CB 3.34Å; Q636-T640 PolarHBondContact O-N 3.47Å; Q636-T640 PolarHBondContact O-OG1 3.12Å; T640-R643 PolarHBondContact O-N 3.05Å; T640-K644 HydrophobicContact CG2-CD 4.26Å; T640-K644 HydrophobicContact CG2-CG 4.36Å; T640-K644 WeakPolarHBondContact O-CB 3.3Å; T640-K644 WeakPolarHBondContact O-CG 3.23Å; T640-K644 PolarHBondContact O-N 2.96Å
641S88.4Confident90.8Very high40 Ų4054.3 Ų54.328%0.2826%0.261SS..Hα-helixtrans-61-46.4175.4-1650000111.6R637 Y638 L639 E645R637-S641 WeakPolarHBondContact O-CB 3.37Å; R637-S641 PolarHBondContact O-N 3.23Å; Y638-S641 WeakPolarHBondContact O-CB 3.22Å; Y638-S641 PolarHBondContact O-N 3.48Å; L639-S641 VanDerWaalsContact C-N 3.3Å; L639-S641 PolarHBondContact O-N 3.5Å; S641-E645 WeakPolarHBondContact O-CB 3.49Å; S641-E645 PolarHBondContact O-N 3.27Å
642L91.2Very high91Very high57 Ų5747.7 Ų47.730%0.29823%0.226SC..Hα-helixtrans-63.6-44.6177.6-73.8173.6000112.7V585 Y638 L639 E645 K646V585-L642 HydrophobicContact CB-CD2 4.36Å; V585-L642 HydrophobicContact CG1-CD2 3.7Å; V585-L642 HydrophobicContact CG2-CD2 3.66Å; V585-L642 HydrophobicContact CG2-CG 3.92Å; Y638-L642 HydrophobicContact CD1-CD1 4.22Å; Y638-L642 HydrophobicContact CE1-CD1 3.68Å; Y638-L642 HydrophobicContact CE2-CD1 4.43Å; Y638-L642 PolarHBondContact O-N 3.18Å; Y638-L642 VanDerWaalsContact O-N 3.13Å; L639-L642 PolarHBondContact O-N 3.02Å; L642-E645 PolarHBondContact O-N 3.43Å; L642-K646 PolarHBondContact O-N 3.15Å
643R91.8Very high91.1Very high137 Ų13750.8 Ų50.852%0.51724%0.241SC..Hα-helixtrans-60.8-47.9178.2-71.5-179.2-162164.36.6111.5L639 T640 E645 K646 E647L639-R643 WeakPolarHBondContact O-CG 3.43Å; L639-R643 PolarHBondContact O-N 3.49Å; T640-R643 PolarHBondContact O-N 3.05Å; R643-E645 VanDerWaalsContact C-N 3.33Å; R643-E645 PolarHBondContact O-N 3.22Å; R643-K646 WeakPolarHBondContact O-CB 3.14Å; R643-K646 PolarHBondContact O-N 3.19Å; R643-E647 WeakPolarHBondContact O-CG 3.47Å; R643-E647 PolarHBondContact O-N 3.14Å
644K88.4Confident91.3Very high42 Ų4256.5 Ų56.518%0.18327%0.267CS..Hα-helixtrans-64.8-37.3179.3-74.4-171164.6-157.70112.9L167 L257 T640 K646 E647 A648L167-K644 VanDerWaalsContact CD2-C 3.46Å; L167-K644 HydrophobicContact CD2-CB 3.54Å; L167-K644 WeakPolarHBondContact CD2-O 3.47Å; L257-K644 HydrophobicContact CD1-CD 3.63Å; L257-K644 VanDerWaalsContact CD1-CE 3.47Å; T640-K644 HydrophobicContact CG2-CD 4.26Å; T640-K644 HydrophobicContact CG2-CG 4.36Å; T640-K644 WeakPolarHBondContact O-CB 3.3Å; T640-K644 WeakPolarHBondContact O-CG 3.23Å; T640-K644 PolarHBondContact O-N 2.96Å; K644-K646 VanDerWaalsContact C-N 3.33Å; K644-E647 PolarHBondContact O-N 3.25Å; K644-A648 VanDerWaalsContact O-CB 3.3Å; K644-A648 WeakPolarHBondContact O-CB 3.46Å; K644-A648 PolarHBondContact O-N 3.04Å
645E91Very high91.3Very high15 Ų1556.7 Ų56.77%0.0727%0.269CS..Hα-helixtrans-64.8-41.4176.6-167.9-169.2147.900110.9R589 S641 L642 R643 A648 F649R589-E645 IonicContact CZ-OE1 3.86Å; R589-E645 VanDerWaalsContact CZ-OE1 3.23Å; R589-E645 IonicContact CZ-OE2 3.26Å; R589-E645 IonicContact NH1-OE1 2.78Å; R589-E645 PolarHBondContact NH1-OE1 3.2Å; R589-E645 IonicContact NH1-OE2 2.68Å; R589-E645 PolarHBondContact NH1-OE2 2.93Å; R589-E645 IonicContact NH2-OE1 3.54Å; R589-E645 PolarHBondContact NH2-OE1 2.74Å; R589-E645 IonicContact NH2-OE2 3.89Å; R589-E645 PolarHBondContact NH2-OE2 3.47Å; S641-E645 WeakPolarHBondContact O-CB 3.49Å; S641-E645 PolarHBondContact O-N 3.27Å; L642-E645 PolarHBondContact O-N 3.43Å; R643-E645 VanDerWaalsContact C-N 3.33Å; R643-E645 PolarHBondContact O-N 3.22Å; E645-A648 PolarHBondContact O-N 3.3Å; E645-F649 HydrophobicContact CG-CD2 4.04Å; E645-F649 HydrophobicContact CG-CE2 3.94Å; E645-F649 WeakPolarHBondContact O-CD2 3.47Å; E645-F649 PolarHBondContact O-N 2.82Å
646K93.2Very high91.2Very high117 Ų11756.6 Ų56.651%0.50927%0.274SS..Hα-helixtrans-59.6-51.4173.1177.1-177.7170.1-179.10111.4L642 R643 K644 A648 F649 E650L642-K646 PolarHBondContact O-N 3.15Å; R643-K646 WeakPolarHBondContact O-CB 3.14Å; R643-K646 PolarHBondContact O-N 3.19Å; K644-K646 VanDerWaalsContact C-N 3.33Å; K646-A648 VanDerWaalsContact C-N 3.25Å; K646-A648 PolarHBondContact O-N 3.1Å; K646-F649 PolarHBondContact O-N 2.94Å; K646-E650 WeakPolarHBondContact CE-OE1 3.4Å; K646-E650 IonicContact NZ-OE1 3.63Å; K646-E650 WeakPolarHBondContact O-CG 3.46Å; K646-E650 PolarHBondContact O-N 3.09Å
647E92.5Very high91.1Very high117 Ų11758.3 Ų58.355%0.54729%0.293SS..Hα-helixtrans-57-40.1176.7-72168.2-171.700111.6R643 K644 E650 S651R643-E647 WeakPolarHBondContact O-CG 3.47Å; R643-E647 PolarHBondContact O-N 3.14Å; K644-E647 PolarHBondContact O-N 3.25Å; E647-E650 PolarHBondContact O-N 3.26Å; E647-S651 WeakPolarHBondContact O-CB 3.34Å; E647-S651 PolarHBondContact O-N 3.28Å
648A91.6Very high91Very high4 Ų459.7 Ų59.73%0.03331%0.309CS..Hα-helixtrans-64.3-45.1177.400000112L167 T170 K644 E645 K646 S651 L652L167-A648 HydrophobicContact CD2-CB 4.17Å; T170-A648 HydrophobicContact CG2-CB 3.84Å; T170-A648 WeakPolarHBondContact CG2-O 2.91Å; T170-A648 WeakPolarHBondContact OG1-CB 3.14Å; K644-A648 VanDerWaalsContact O-CB 3.3Å; K644-A648 WeakPolarHBondContact O-CB 3.46Å; K644-A648 PolarHBondContact O-N 3.04Å; E645-A648 PolarHBondContact O-N 3.3Å; K646-A648 VanDerWaalsContact C-N 3.25Å; K646-A648 PolarHBondContact O-N 3.1Å; A648-S651 PolarHBondContact O-N 3.11Å; A648-L652 WeakPolarHBondContact O-CG 3.49Å; A648-L652 PolarHBondContact O-N 2.97Å
649F94.4Very high90.7Very high2 Ų259.2 Ų59.21%0.00931%0.309CS..Hα-helixtrans-65.8-39.7175.4-85.2-69.2000112.7V32 A34 S166 P192 F194 E645 K646 S651 L652 I653V32-F649 HydrophobicContact CG1-CE1 3.97Å; V32-F649 HydrophobicContact CG1-CZ 4.3Å; A34-F649 HydrophobicContact CB-CE2 3.85Å; A34-F649 HydrophobicContact CB-CZ 3.94Å; S166-F649 WeakPolarHBondContact OG-CE2 3.45Å; P192-F649 HydrophobicContact CB-CB 4.23Å; P192-F649 HydrophobicContact CB-CD1 3.82Å; P192-F649 HydrophobicContact CB-CD2 4.17Å; P192-F649 HydrophobicContact CB-CE1 4.2Å; P192-F649 HydrophobicContact CB-CG 3.82Å; F194-F649 HydrophobicContact CE1-CB 4.01Å; F194-F649 HydrophobicContact CZ-CB 4.01Å; E645-F649 HydrophobicContact CG-CD2 4.04Å; E645-F649 HydrophobicContact CG-CE2 3.94Å; E645-F649 WeakPolarHBondContact O-CD2 3.47Å; E645-F649 PolarHBondContact O-N 2.82Å; K646-F649 PolarHBondContact O-N 2.94Å; F649-S651 VanDerWaalsContact C-N 3.33Å; F649-S651 PolarHBondContact O-N 3.24Å; F649-L652 PolarHBondContact O-N 3.41Å; F649-I653 WeakPolarHBondContact O-CB 3.17Å; F649-I653 WeakPolarHBondContact O-CD1 3.14Å; F649-I653 WeakPolarHBondContact O-CG1 3.17Å; F649-I653 PolarHBondContact O-N 3.04Å
650E93.7Very high89.9Confident82 Ų8262.7 Ų62.738%0.38333%0.333SS..Hα-helixtrans-60.7-43.5174.6-73.1176.5175.700111.3K646 E647 I653 Q654K646-E650 WeakPolarHBondContact CE-OE1 3.4Å; K646-E650 IonicContact NZ-OE1 3.63Å; K646-E650 WeakPolarHBondContact O-CG 3.46Å; K646-E650 PolarHBondContact O-N 3.09Å; E647-E650 PolarHBondContact O-N 3.26Å; E650-I653 PolarHBondContact O-N 2.87Å; E650-Q654 WeakPolarHBondContact O-CG 3.45Å; E650-Q654 PolarHBondContact O-N 3.01Å
651S92Very high89.1Confident55 Ų5563.3 Ų63.339%0.38534%0.336SS..Hα-helixtrans-62.5-42.5174.3179.50000112.4E647 A648 F649 I653 Q654 L655E647-S651 WeakPolarHBondContact O-CB 3.34Å; E647-S651 PolarHBondContact O-N 3.28Å; A648-S651 PolarHBondContact O-N 3.11Å; F649-S651 VanDerWaalsContact C-N 3.33Å; F649-S651 PolarHBondContact O-N 3.24Å; S651-I653 PolarHBondContact O-N 3Å; S651-Q654 PolarHBondContact O-N 3.2Å; S651-L655 WeakPolarHBondContact O-CB 3.04Å; S651-L655 PolarHBondContact O-N 3.2Å
652L92.9Very high88Confident2 Ų264.7 Ų64.71%0.0134%0.344CS..Hα-helixtrans-66.5-35.8176.3-71.9173.1000112.5V32 L169 T170 A176 L190 A648 F649 L655 S656V32-L652 HydrophobicContact CG1-CD1 4.17Å; L169-L652 HydrophobicContact CB-CD2 4.42Å; T170-L652 HydrophobicContact CG2-CD1 4.31Å; T170-L652 HydrophobicContact CG2-CD2 4.05Å; T170-L652 HydrophobicContact CG2-CG 3.77Å; A176-L652 HydrophobicContact CB-CD2 3.76Å; L190-L652 HydrophobicContact CD1-CB 3.87Å; L190-L652 WeakPolarHBondContact CD1-O 3.43Å; L190-L652 HydrophobicContact CD2-CB 4.14Å; L190-L652 HydrophobicContact CD2-CD1 4.36Å; A648-L652 WeakPolarHBondContact O-CG 3.49Å; A648-L652 PolarHBondContact O-N 2.97Å; F649-L652 PolarHBondContact O-N 3.41Å; L652-L655 PolarHBondContact O-N 3.08Å; L652-S656 WeakPolarHBondContact O-CB 3.35Å; L652-S656 PolarHBondContact O-N 3.14Å
653I93.2Very high86.6Confident69 Ų6969.2 Ų69.235%0.35436%0.361SS..Hα-helixtrans-64.9-43.6174.8-69.7162.8000110L190 F194 F649 E650 S651 L655 S656 S657L190-I653 HydrophobicContact CD1-CB 4.46Å; L190-I653 HydrophobicContact CD1-CG1 3.83Å; F194-I653 HydrophobicContact CE2-CD1 4.01Å; F194-I653 HydrophobicContact CZ-CD1 3.96Å; F649-I653 WeakPolarHBondContact O-CB 3.17Å; F649-I653 WeakPolarHBondContact O-CD1 3.14Å; F649-I653 WeakPolarHBondContact O-CG1 3.17Å; F649-I653 PolarHBondContact O-N 3.04Å; E650-I653 PolarHBondContact O-N 2.87Å; S651-I653 PolarHBondContact O-N 3Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 3.48Å; I653-S656 PolarHBondContact O-N 2.7Å; I653-S656 PolarHBondContact O-OG 2.81Å; I653-S657 PolarHBondContact O-N 3.32Å; I653-S657 VanDerWaalsContact O-N 3.13Å
654Q92.1Very high84.7Confident130 Ų13069.4 Ų69.461%0.60737%0.372SS*.Hα-helixtrans-62.6-39.9173.7-69.8173.8100112.3E650 S651 S657 T658E650-Q654 WeakPolarHBondContact O-CG 3.45Å; E650-Q654 PolarHBondContact O-N 3.01Å; S651-Q654 PolarHBondContact O-N 3.2Å; Q654-S657 PolarHBondContact O-N 3.47Å; Q654-S657 PolarHBondContact O-OG 2.99Å; Q654-T658 WeakPolarHBondContact O-CG2 3.36Å; Q654-T658 PolarHBondContact O-N 3.15Å; Q654-T658 PolarHBondContact O-OG1 3.29Å
655L89.2Confident82.8Confident23 Ų2370.9 Ų70.912%0.1239%0.385CS..Hα-helixtrans-64.3-43.7174.2-175.3147000110.8E177 L188 S651 L652 I653 S657 T658 I659E177-L655 HydrophobicContact CB-CD1 4.38Å; L188-L655 HydrophobicContact CD2-CD2 3.93Å; S651-L655 WeakPolarHBondContact O-CB 3.04Å; S651-L655 PolarHBondContact O-N 3.2Å; L652-L655 PolarHBondContact O-N 3.08Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 3.48Å; L655-S657 PolarHBondContact O-N 2.97Å; L655-T658 WeakPolarHBondContact CA-OG1 3.08Å; L655-T658 PolarHBondContact O-N 3.18Å; L655-T658 VanDerWaalsContact O-N 3.12Å; L655-T658 PolarHBondContact O-OG1 3.42Å; L655-I659 HydrophobicContact CD2-CB 4.36Å; L655-I659 HydrophobicContact CD2-CD1 3.94Å; L655-I659 VanDerWaalsContact O-CB 3.26Å; L655-I659 WeakPolarHBondContact O-CB 3.48Å; L655-I659 WeakPolarHBondContact O-CG2 3.18Å; L655-I659 PolarHBondContact O-N 3.3Å
656S88.1Confident80.6Confident49 Ų4975.6 Ų75.634%0.34342%0.415SS..Hα-helixtrans-61.8-29.9179.578.10000113.6L652 I653L652-S656 WeakPolarHBondContact O-CB 3.35Å; L652-S656 PolarHBondContact O-N 3.14Å; I653-S656 PolarHBondContact O-N 2.7Å; I653-S656 PolarHBondContact O-OG 2.81Å
657S88.4Confident78.3Confident97 Ų9773.1 Ų73.168%0.67841%0.407SS*.Hα-helixtrans-82.9-19.9178.266.50000113.6I653 Q654 L655I653-S657 PolarHBondContact O-N 3.32Å; I653-S657 VanDerWaalsContact O-N 3.13Å; Q654-S657 PolarHBondContact O-N 3.47Å; Q654-S657 PolarHBondContact O-OG 2.99Å; L655-S657 PolarHBondContact O-N 2.97Å
658T87.5Confident75.7Confident104 Ų10473.3 Ų73.364%0.63842%0.418SS*.Hα-helixtrans-100.5-24.6-178.852.30000113.3Q654 L655Q654-T658 WeakPolarHBondContact O-CG2 3.36Å; Q654-T658 PolarHBondContact O-N 3.15Å; Q654-T658 PolarHBondContact O-OG1 3.29Å; L655-T658 WeakPolarHBondContact CA-OG1 3.08Å; L655-T658 PolarHBondContact O-N 3.18Å; L655-T658 VanDerWaalsContact O-N 3.12Å; L655-T658 PolarHBondContact O-OG1 3.42Å
659I82.9Confident73.4Confident33 Ų3377.3 Ų77.317%0.16943%0.433CS..  trans-70.7130.4-170.2-160.6175000112.6E177 M180 L655 I661E177-I659 HydrophobicContact CB-CD1 4.1Å; E177-I659 HydrophobicContact CG-CD1 3.98Å; E177-I659 HydrophobicContact CG-CG1 4.46Å; M180-I659 HydrophobicContact CE-CD1 4.21Å; M180-I659 HydrophobicContact SD-CD1 3.76Å; L655-I659 HydrophobicContact CD2-CB 4.36Å; L655-I659 HydrophobicContact CD2-CD1 3.94Å; L655-I659 VanDerWaalsContact O-CB 3.26Å; L655-I659 WeakPolarHBondContact O-CB 3.48Å; L655-I659 WeakPolarHBondContact O-CG2 3.18Å; L655-I659 PolarHBondContact O-N 3.3Å; I659-I661 HydrophobicContact CD1-CD1 3.6Å; I659-I661 HydrophobicContact CD1-CG1 3.8Å; I659-I661 HydrophobicContact CG1-CD1 4.22Å; I659-I661 HydrophobicContact CG1-CG1 3.85Å
660V76.3Confident70.7Confident133 Ų13380.6 Ų80.681%0.80647%0.467SS*.  trans-12599.3171.7-178.40000107.9
661I72.1Confident68.1Low21 Ų2185.7 Ų85.711%0.10849%0.488CS..  trans-96.8121.3175-61.8175.3000108.8M180 L181 I185 I659 K663M180-I661 HydrophobicContact CB-CD1 3.38Å; M180-I661 HydrophobicContact CE-CD1 3.55Å; M180-I661 HydrophobicContact CG-CD1 4.29Å; M180-I661 HydrophobicContact SD-CD1 4.08Å; L181-I661 HydrophobicContact CD2-CG1 4.41Å; L181-I661 HydrophobicContact CD2-CG2 4.19Å; I185-I661 WeakPolarHBondContact O-CD1 3.16Å; I659-I661 HydrophobicContact CD1-CD1 3.6Å; I659-I661 HydrophobicContact CD1-CG1 3.8Å; I659-I661 HydrophobicContact CG1-CD1 4.22Å; I659-I661 HydrophobicContact CG1-CG1 3.85Å; I661-K663 PolarHBondContact O-N 3.48Å
662P66.2Low65.7Low69 Ų6988.8 Ų88.845%0.44850%0.5SS..  trans-62.9125.1172.325.1-31.9000109.9D664 T665P662-D664 PolarHBondContact O-N 3.29Å; P662-T665 HydrophobicContact CB-CG2 4.04Å; P662-T665 HydrophobicContact CG-CG2 3.44Å; P662-T665 VanDerWaalsContact CG-CG2 3.44Å; P662-T665 PolarHBondContact O-OG1 2.98Å
663K60.8Low63Low152 Ų15293.8 Ų93.866%0.66153%0.527SS*.THydrogen-bonded Turntrans-63.3-21.3179-69-174.6173.7-171.50112.9I661I661-K663 PolarHBondContact O-N 3.48Å
664D52.5Low60.8Low142 Ų14296.2 Ų96.276%0.75955%0.547SS*.THydrogen-bonded Turntrans-117.923.4-169.6-60.8-33.8000114.4P662 T666P662-D664 PolarHBondContact O-N 3.29Å; D664-T666 PolarHBondContact O-N 3.4Å
665T47.4Very low58.5Low72 Ų7297 Ų9744%0.44256%0.555SS.*  trans-73.570.6164.343.50000109.7P662 I667P662-T665 HydrophobicContact CB-CG2 4.04Å; P662-T665 HydrophobicContact CG-CG2 3.44Å; P662-T665 VanDerWaalsContact CG-CG2 3.44Å; P662-T665 PolarHBondContact O-OG1 2.98Å; T665-I667 PolarHBondContact O-N 3.22Å
666T44.8Very low56.4Low115 Ų115100.4 Ų100.471%0.70657%0.574SS**  trans-53.398.5135.954.40000104.3D664D664-T666 PolarHBondContact O-N 3.4Å
667I46.5Very low54.2Low65 Ų65106.2 Ų106.233%0.33360%0.601SS.*  trans-41.4123.6168.8-61.7168.4000104.6T665 Y669T665-I667 PolarHBondContact O-N 3.22Å; I667-Y669 VanDerWaalsContact C-N 3.28Å; I667-Y669 WeakPolarHBondContact O-CD2 3.38Å; I667-Y669 PolarHBondContact O-N 3.5Å
668P37.7Very low52.5Low121 Ų121109.2 Ų109.279%0.78660%0.604SS**  trans-58.5100.4-167.520.9-31.2000107.6G670P668-G670 PolarHBondContact O-N 2.75Å
669Y43.2Very low51.2Low87 Ų87108.1 Ų108.134%0.34161%0.605SS.*  trans-58.9129.3159.1-73.7-90.5000103.6Q148 E152 I667 K671Q148-Y669 WeakPolarHBondContact CG-OH 3.44Å; Q148-Y669 PolarHBondContact NE2-OH 2.87Å; E152-Y669 VanDerWaalsContact CD-OH 3.25Å; E152-Y669 HydrophobicContact CG-CE1 3.91Å; E152-Y669 HydrophobicContact CG-CE2 4.21Å; E152-Y669 WeakPolarHBondContact CG-OH 3.5Å; E152-Y669 WeakPolarHBondContact OE1-CE1 3.27Å; E152-Y669 PolarHBondContact OE1-OH 3.35Å; I667-Y669 VanDerWaalsContact C-N 3.28Å; I667-Y669 WeakPolarHBondContact O-CD2 3.38Å; I667-Y669 PolarHBondContact O-N 3.5Å; Y669-K671 PolarHBondContact O-N 2.69Å
670G37.9Very low50.9Low71 Ų71109.7 Ų109.773%0.73262%0.616SS**  trans-55.893.6153.400000105.2P668 L672P668-G670 PolarHBondContact O-N 2.75Å; G670-L672 PolarHBondContact O-N 3.25Å
671K38.4Very low51.4Low190 Ų190105.2 Ų105.283%0.82659%0.591SS**  trans-55.997.3160.4-86.8-177.4174.4178.50103Y669 N673Y669-K671 PolarHBondContact O-N 2.69Å; K671-N673 PolarHBondContact O-N 2.72Å; K671-N673 VanDerWaalsContact O-N 3.09Å
672L41.3Very low52.2Low120 Ų120109.2 Ų109.263%0.62861%0.605SS**  trans-51.7118.6156.9-75.1159.9000103.6G670 P674 V680G670-L672 PolarHBondContact O-N 3.25Å; L672-P674 VanDerWaalsContact O-N 3.15Å; L672-V680 HydrophobicContact CD1-CG2 4.28Å
673N37.2Very low53.5Low107 Ų107106 Ų10657%0.57258%0.583SS**  trans-51.9127.3172.9-72.1-37.6000106K671 D675 D676K671-N673 PolarHBondContact O-N 2.72Å; K671-N673 VanDerWaalsContact O-N 3.09Å; N673-D675 PolarHBondContact O-N 2.78Å; N673-D676 PolarHBondContact O-N 3.04Å
674P45.7Very low55Low120 Ų12098.8 Ų98.878%0.77955%0.552SS**THydrogen-bonded Turntrans-59.6-8.7-178.321.7-31.3000113.2L672L672-P674 VanDerWaalsContact O-N 3.15Å
675D44.7Very low56.9Low146 Ų14692 Ų9278%0.78152%0.516SS*.THydrogen-bonded Turntrans-87-9.2178.1-60-29.3000114.1N673 N677N673-D675 PolarHBondContact O-N 2.78Å; D675-N677 PolarHBondContact O-N 3.23Å
676D44.5Very low59Low95 Ų9588.6 Ų88.651%0.50850%0.495SS..  trans-90.292172.4-80.8-35.3000110.5N673 Q678N673-D676 PolarHBondContact O-N 3.04Å; D676-Q678 PolarHBondContact O-N 2.86Å
677N41.7Very low61Low170 Ų17086.1 Ų86.191%0.90948%0.476SS*.  trans-63.625.5171.1-88.5-33.9000114.4D675 A679D675-N677 PolarHBondContact O-N 3.23Å; N677-A679 PolarHBondContact O-N 3.18Å
678Q52.5Low62.8Low161 Ų16189.6 Ų89.675%0.75249%0.485SS*.  trans-79115.2174.6-70.8-176.99.100109.4D676 V680D676-Q678 PolarHBondContact O-N 2.86Å; Q678-V680 PolarHBondContact O-N 3.33Å; Q678-V680 VanDerWaalsContact O-N 3.16Å
679A62.2Low65.2Low80 Ų8085.3 Ų85.366%0.66146%0.455SS*.PPolyproline II helixtrans-52.4120.6179.100000111.2N677 S681N677-A679 PolarHBondContact O-N 3.18Å; A679-S681 PolarHBondContact O-N 3.02Å
680V75Confident67.3Low67 Ų6781.4 Ų81.441%0.40644%0.44SS..PPolyproline II helixtrans-55.8124.7179.3-178.20000110.1L672 Q678 R682 G702 K704L672-V680 HydrophobicContact CD1-CG2 4.28Å; Q678-V680 PolarHBondContact O-N 3.33Å; Q678-V680 VanDerWaalsContact O-N 3.16Å; V680-R682 WeakPolarHBondContact O-CG 3.49Å; V680-R682 PolarHBondContact O-N 2.8Å; V680-G702 WeakPolarHBondContact CG1-O 3.33Å; V680-K704 HydrophobicContact CG1-CB 4.02Å
681S86.3Confident69.3Low39 Ų3987.2 Ų87.227%0.27344%0.439SS..PPolyproline II helixtrans-61.7129178.3-81.90000111.5A679 L703 K704 E843A679-S681 PolarHBondContact O-N 3.02Å; S681-L703 WeakPolarHBondContact O-CA 3.27Å; S681-K704 PolarHBondContact O-N 3.2Å; S681-E843 WeakPolarHBondContact CA-OE1 3.29Å; S681-E843 PolarHBondContact OG-OE1 3.47Å
682R89.9Confident71.5Confident105 Ų10579.3 Ų79.340%0.39641%0.408SS..EExtended strand (participates in β ladder)trans-105.6141.9-175-39.8176.5-162.4-177.35.2112.9V680 K704 K838 E843V680-R682 WeakPolarHBondContact O-CG 3.49Å; V680-R682 PolarHBondContact O-N 2.8Å; R682-K704 CarbonylContact C-O 3.5Å; R682-K704 VanDerWaalsContact CA-O 3.26Å; R682-K704 WeakPolarHBondContact CA-O 3.45Å; R682-K704 HydrophobicContact CB-CB 4.5Å; R682-K704 HydrophobicContact CG-CB 4.38Å; R682-K838 PolarHBondContact O-NZ 3.49Å; R682-E843 WeakPolarHBondContact CA-OE2 3.34Å; R682-E843 WeakPolarHBondContact CB-OE2 3.33Å; R682-E843 WeakPolarHBondContact CG-OE2 3.43Å; R682-E843 PolarHBondContact N-OE2 3.28Å
683V92.5Very high73.6Confident0 Ų077.5 Ų77.50%040%0.396CS..EExtended strand (participates in β ladder)trans-126.9126.7173.7176.60000108.6V685 L698 L703 K704 E706 Y715 L717 K838V683-V685 HydrophobicContact CG1-CG2 3.93Å; V683-L698 HydrophobicContact CG1-CD1 4.46Å; V683-L703 HydrophobicContact CG2-CB 4.5Å; V683-L703 HydrophobicContact CG2-CD1 4.18Å; V683-K704 PolarHBondContact N-O 3.06Å; V683-E706 PolarHBondContact O-N 3.37Å; V683-Y715 HydrophobicContact CG1-CD1 4.33Å; V683-L717 HydrophobicContact CB-CD2 4.46Å; V683-L717 HydrophobicContact CG1-CD2 3.75Å; V683-L717 HydrophobicContact CG2-CD2 3.85Å; V683-K838 HydrophobicContact CG2-CD 3.89Å
684I93.1Very high76.2Confident1 Ų172.4 Ų72.41%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-87.4128.2173.5-53.7176.6000107.7E706 M708 L710 Y715 I716 P844 L849I684-E706 WeakPolarHBondContact CA-O 3.42Å; I684-M708 HydrophobicContact CG2-CB 3.75Å; I684-L710 HydrophobicContact CG2-CD1 4.42Å; I684-L710 HydrophobicContact CG2-CD2 4.14Å; I684-Y715 WeakPolarHBondContact O-CA 3.26Å; I684-I716 HydrophobicContact CB-CB 4.22Å; I684-I716 PolarHBondContact N-O 3.34Å; I684-I716 PolarHBondContact O-N 3.32Å; I684-P844 HydrophobicContact CD1-CB 3.91Å; I684-P844 HydrophobicContact CD1-CG 4.22Å; I684-P844 HydrophobicContact CG1-CB 4.33Å; I684-P844 HydrophobicContact CG1-CG 4.11Å; I684-L849 HydrophobicContact CD1-CD1 4Å; I684-L849 HydrophobicContact CG2-CD1 4.49Å
685V93.4Very high78.3Confident0 Ų066.8 Ų66.80%033%0.332CS..EExtended strand (participates in β ladder)trans-123.3133.4-174.5-176.90000109.9V683 E689 F690 P695 V705 E706 M708 Y715V683-V685 HydrophobicContact CG1-CG2 3.93Å; V685-E689 HydrophobicContact CG1-CB 3.85Å; V685-F690 HydrophobicContact CB-CE2 4.03Å; V685-F690 HydrophobicContact CB-CZ 4.24Å; V685-F690 HydrophobicContact CG1-CD2 4.35Å; V685-F690 HydrophobicContact CG1-CE2 3.86Å; V685-F690 HydrophobicContact CG1-CZ 4.29Å; V685-P695 HydrophobicContact CG1-CG 4.09Å; V685-V705 HydrophobicContact CB-CG1 4.31Å; V685-V705 HydrophobicContact CG2-CG1 3.72Å; V685-E706 PolarHBondContact N-O 2.77Å; V685-M708 PolarHBondContact O-N 3.24Å; V685-M708 VanDerWaalsContact O-O 3.14Å; V685-Y715 HydrophobicContact CB-CD1 4.32Å; V685-Y715 HydrophobicContact CB-CE1 4.32Å; V685-Y715 HydrophobicContact CG1-CD1 4.02Å; V685-Y715 HydrophobicContact CG1-CE1 3.59Å; V685-Y715 HydrophobicContact CG2-CD1 3.77Å; V685-Y715 HydrophobicContact CG2-CE1 3.89Å
686D91.7Very high80.3Confident1 Ų160.8 Ų60.81%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-61.4136.8174-174.1-89.7000111.1R688 E689 M708 L710 D714D686-R688 PolarHBondContact O-N 3.43Å; D686-R688 WeakPolarHBondContact OD1-CA 3.49Å; D686-R688 WeakPolarHBondContact OD1-CB 3.31Å; D686-R688 WeakPolarHBondContact OD1-CG 3.31Å; D686-R688 IonicContact OD1-CZ 3.47Å; D686-R688 PolarHBondContact OD1-N 2.96Å; D686-R688 IonicContact OD1-NE 3.5Å; D686-R688 PolarHBondContact OD1-NE 3.49Å; D686-R688 IonicContact OD1-NH2 3.5Å; D686-R688 IonicContact OD2-CZ 3.53Å; D686-R688 IonicContact OD2-NE 2.77Å; D686-R688 IonicContact OD2-NH2 3.91Å; D686-R688 PolarHBondContact OD2-NH2 3.16Å; D686-E689 PolarHBondContact O-N 3.4Å; D686-M708 CarbonylContact C-O 3.53Å; D686-M708 WeakPolarHBondContact CA-O 3.2Å; D686-L710 HydrophobicContact CB-CB 4.18Å; D686-L710 HydrophobicContact CB-CD1 4.17Å; D686-L710 HydrophobicContact CB-CG 4.24Å; D686-L710 WeakPolarHBondContact OD2-CA 3.48Å; D686-L710 WeakPolarHBondContact OD2-CB 3.06Å; D686-L710 PolarHBondContact OD2-N 3.16Å; D686-L710 VanDerWaalsContact OD2-O 3.08Å; D686-D714 PolarHBondContact N-O 3.12Å
687M85.3Confident82.4Confident62 Ų6257 Ų5731%0.30528%0.283SS..THydrogen-bonded Turntrans-55-25.9179.5-76.4-173.168.500113.9R110 V114 M708 T709R110-M687 PolarHBondContact NE-O 3.33Å; R110-M687 VanDerWaalsContact NH2-C 3.28Å; R110-M687 PolarHBondContact NH2-O 2.73Å; V114-M687 HydrophobicContact CG1-CE 4.16Å; V114-M687 HydrophobicContact CG2-CE 4.19Å; M687-M708 PolarHBondContact N-O 3.35Å; M687-T709 HydrophobicContact CB-CG2 4.23Å; M687-T709 HydrophobicContact CG-CG2 3.96Å; M687-T709 HydrophobicContact SD-CG2 3.36Å; M687-T709 WeakPolarHBondContact SD-CG2 3.44Å
688R85.1Confident84.8Confident138 Ų13848.9 Ų48.952%0.52124%0.24SC..THydrogen-bonded Turntrans-76.4-27.9178.1-64.4165-81.2-165.7-6.5112.5D686 F690 R691 L710D686-R688 PolarHBondContact O-N 3.43Å; D686-R688 WeakPolarHBondContact OD1-CA 3.49Å; D686-R688 WeakPolarHBondContact OD1-CB 3.31Å; D686-R688 WeakPolarHBondContact OD1-CG 3.31Å; D686-R688 IonicContact OD1-CZ 3.47Å; D686-R688 PolarHBondContact OD1-N 2.96Å; D686-R688 IonicContact OD1-NE 3.5Å; D686-R688 PolarHBondContact OD1-NE 3.49Å; D686-R688 IonicContact OD1-NH2 3.5Å; D686-R688 IonicContact OD2-CZ 3.53Å; D686-R688 IonicContact OD2-NE 2.77Å; D686-R688 IonicContact OD2-NH2 3.91Å; D686-R688 PolarHBondContact OD2-NH2 3.16Å; R688-F690 PolarHBondContact O-N 3.24Å; R688-R691 PolarHBondContact O-N 3.04Å; R688-L710 PolarHBondContact NH2-O 3.14Å
689E88.9Confident86.5Confident31 Ų3142.9 Ų42.915%0.14521%0.211CC..G310 helixtrans-72.3-13.5178.9-80.5-52.2102.800113.8V685 D686 R691 S692 D714 Y715 R725V685-E689 HydrophobicContact CG1-CB 3.85Å; D686-E689 PolarHBondContact O-N 3.4Å; E689-R691 PolarHBondContact O-N 3.36Å; E689-S692 WeakPolarHBondContact O-CB 3.39Å; E689-S692 PolarHBondContact O-N 3.44Å; E689-S692 PolarHBondContact O-OG 2.88Å; E689-D714 HydrophobicContact CG-CB 3.67Å; E689-Y715 HydrophobicContact CB-CE2 4.47Å; E689-Y715 HydrophobicContact CG-CE2 3.85Å; E689-Y715 PolarHBondContact OE2-OH 2.94Å; E689-R725 IonicContact OE2-NH1 2.68Å; E689-R725 PolarHBondContact OE2-NH1 3.01Å; E689-R725 VanDerWaalsContact OE2-NH1 3.13Å
690F86.2Confident87.5Confident6 Ų645.1 Ų45.13%0.02620%0.203CC..G310 helixtrans-62.7-10.4172.5-76.3-87.4000113.8V113 L117 Q142 F145 V685 R688 P695 V705 P707V113-F690 HydrophobicContact CG1-CD1 3.62Å; V113-F690 HydrophobicContact CG1-CE1 3.79Å; L117-F690 HydrophobicContact CD1-CE1 3.51Å; L117-F690 HydrophobicContact CD1-CZ 3.81Å; Q142-F690 WeakPolarHBondContact CG-O 3.38Å; Q142-F690 PolarHBondContact NE2-O 2.97Å; F145-F690 HydrophobicContact CE1-CE1 4.42Å; V685-F690 HydrophobicContact CB-CE2 4.03Å; V685-F690 HydrophobicContact CB-CZ 4.24Å; V685-F690 HydrophobicContact CG1-CD2 4.35Å; V685-F690 HydrophobicContact CG1-CE2 3.86Å; V685-F690 HydrophobicContact CG1-CZ 4.29Å; R688-F690 PolarHBondContact O-N 3.24Å; F690-P695 HydrophobicContact CD1-CB 4.04Å; F690-P695 HydrophobicContact CD1-CG 4.35Å; F690-P695 HydrophobicContact CE1-CB 3.92Å; F690-V705 HydrophobicContact CE1-CG1 4.16Å; F690-V705 HydrophobicContact CZ-CG1 3.84Å; F690-P707 HydrophobicContact CE2-CB 3.55Å; F690-P707 HydrophobicContact CZ-CB 3.6Å; F690-P707 HydrophobicContact CZ-CG 4.46Å
691R80.2Confident88Confident193 Ų19347 Ų4773%0.72821%0.206SC*.G310 helixtrans-70.5-19.9168.4-67.4-180176.2177.9-2.1113.2R688 E689R688-R691 PolarHBondContact O-N 3.04Å; E689-R691 PolarHBondContact O-N 3.36Å
692S84.7Confident88Confident23 Ų2347.2 Ų47.216%0.16121%0.213CC..SBendtrans-91.3165.6179.274.70000112.2E689 L694 P695 R725E689-S692 WeakPolarHBondContact O-CB 3.39Å; E689-S692 PolarHBondContact O-N 3.44Å; E689-S692 PolarHBondContact O-OG 2.88Å; S692-L694 VanDerWaalsContact C-N 3.28Å; S692-L694 PolarHBondContact O-N 3.3Å; S692-P695 WeakPolarHBondContact O-CD 3.39Å; S692-P695 VanDerWaalsContact OG-CD 3.32Å; S692-P695 WeakPolarHBondContact OG-CD 3.45Å; S692-R725 PolarHBondContact OG-NH1 3.2Å
693E85.2Confident87.9Confident82 Ų8242.8 Ų42.838%0.38320%0.198SC..SBendtrans-72.5-23.8177.8-41.7-165.3156.100112.6A140 A696 L697A140-E693 HydrophobicContact CB-CB 3.46Å; A140-E693 VanDerWaalsContact CB-CB 3.46Å; A140-E693 HydrophobicContact CB-CG 3.13Å; A140-E693 WeakPolarHBondContact CB-OE1 3.36Å; E693-A696 PolarHBondContact O-N 2.7Å; E693-L697 PolarHBondContact O-N 2.66Å
694L91.1Very high87.8Confident0 Ų048.2 Ų48.20%022%0.221CC..Hα-helixtrans-61.9-43.1-166.8-178.458.8000113.8S692 A696 L697 L698 Y715 P827 T830 A831 F834S692-L694 VanDerWaalsContact C-N 3.28Å; S692-L694 PolarHBondContact O-N 3.3Å; L694-A696 VanDerWaalsContact C-N 3.31Å; L694-A696 PolarHBondContact O-N 2.88Å; L694-L697 PolarHBondContact O-N 2.85Å; L694-L697 VanDerWaalsContact O-N 3.12Å; L694-L698 HydrophobicContact CD1-CD1 4.49Å; L694-L698 HydrophobicContact CD1-CD2 4.35Å; L694-L698 HydrophobicContact CD1-CG 4.09Å; L694-L698 HydrophobicContact CG-CD1 4.13Å; L694-L698 HydrophobicContact CG-CG 4.23Å; L694-L698 WeakPolarHBondContact O-CG 3.22Å; L694-L698 PolarHBondContact O-N 3.08Å; L694-Y715 HydrophobicContact CD2-CE1 4.12Å; L694-Y715 HydrophobicContact CD2-CE2 3.96Å; L694-Y715 WeakPolarHBondContact CD2-OH 3.07Å; L694-Y715 HydrophobicContact CG-CE1 4.4Å; L694-P827 WeakPolarHBondContact CD1-O 3.46Å; L694-T830 HydrophobicContact CD1-CG2 3.77Å; L694-T830 HydrophobicContact CD2-CG2 3.59Å; L694-T830 HydrophobicContact CG-CG2 4.37Å; L694-A831 HydrophobicContact CD1-CB 4.08Å; L694-F834 HydrophobicContact CD2-CE2 4.19Å; L694-F834 HydrophobicContact CD2-CZ 4.49Å
695P90.3Very high87.8Confident2 Ų248.4 Ų48.41%0.01322%0.222CC..Hα-helixtrans-58.6-39.3178.1-27.538.1000113.7V685 F690 S692 L697 L698 H699 V705V685-P695 HydrophobicContact CG1-CG 4.09Å; F690-P695 HydrophobicContact CD1-CB 4.04Å; F690-P695 HydrophobicContact CD1-CG 4.35Å; F690-P695 HydrophobicContact CE1-CB 3.92Å; S692-P695 WeakPolarHBondContact O-CD 3.39Å; S692-P695 VanDerWaalsContact OG-CD 3.32Å; S692-P695 WeakPolarHBondContact OG-CD 3.45Å; P695-L697 VanDerWaalsContact C-N 3.34Å; P695-L698 PolarHBondContact O-N 3.47Å; P695-H699 PolarHBondContact O-N 3.38Å; P695-V705 HydrophobicContact CB-CG1 4.5Å
696A86.9Confident87.6Confident20 Ų2050.7 Ų50.717%0.16523%0.233CC..Hα-helixtrans-65.6-39.7176.800000111.3F145 E693 L694 H699 R700F145-A696 HydrophobicContact CB-CB 3.91Å; F145-A696 HydrophobicContact CD1-CB 4.31Å; F145-A696 HydrophobicContact CD2-CB 3.89Å; F145-A696 HydrophobicContact CG-CB 3.78Å; E693-A696 PolarHBondContact O-N 2.7Å; L694-A696 VanDerWaalsContact C-N 3.31Å; L694-A696 PolarHBondContact O-N 2.88Å; A696-H699 PolarHBondContact O-N 2.97Å; A696-R700 WeakPolarHBondContact O-CB 3.4Å; A696-R700 PolarHBondContact O-N 3.22Å
697L88.9Confident87.5Confident16 Ų1650.9 Ų50.98%0.08423%0.234CC..Hα-helixtrans-69.1-38.6177-62.6179.7000112.8E693 L694 P695 H699 R700 K701 P827 Y828 A831E693-L697 PolarHBondContact O-N 2.66Å; L694-L697 PolarHBondContact O-N 2.85Å; L694-L697 VanDerWaalsContact O-N 3.12Å; P695-L697 VanDerWaalsContact C-N 3.34Å; L697-H699 VanDerWaalsContact C-N 3.31Å; L697-H699 PolarHBondContact O-N 3.45Å; L697-R700 PolarHBondContact O-N 2.72Å; L697-K701 WeakPolarHBondContact O-CG 3.32Å; L697-K701 PolarHBondContact O-N 3.12Å; L697-P827 HydrophobicContact CD1-CB 3.69Å; L697-Y828 HydrophobicContact CD1-CD1 3.9Å; L697-Y828 HydrophobicContact CD1-CD2 4.15Å; L697-Y828 HydrophobicContact CD1-CE1 4.06Å; L697-Y828 HydrophobicContact CD1-CE2 4.27Å; L697-Y828 HydrophobicContact CD1-CG 3.95Å; L697-Y828 HydrophobicContact CD2-CD1 3.71Å; L697-Y828 HydrophobicContact CD2-CE1 3.27Å; L697-Y828 HydrophobicContact CG-CD1 4.41Å; L697-Y828 HydrophobicContact CG-CE1 4.3Å; L697-A831 HydrophobicContact CB-CB 3.94Å
698L91.1Very high87.6Confident0 Ų050.3 Ų50.30%023%0.231CC..Hα-helixtrans-60.3-44.2173.7-69.1172.4000110.8V683 L694 P695 K701 G702 L703 V705 Y715 A831 F834V683-L698 HydrophobicContact CG1-CD1 4.46Å; L694-L698 HydrophobicContact CD1-CD1 4.49Å; L694-L698 HydrophobicContact CD1-CD2 4.35Å; L694-L698 HydrophobicContact CD1-CG 4.09Å; L694-L698 HydrophobicContact CG-CD1 4.13Å; L694-L698 HydrophobicContact CG-CG 4.23Å; L694-L698 WeakPolarHBondContact O-CG 3.22Å; L694-L698 PolarHBondContact O-N 3.08Å; P695-L698 PolarHBondContact O-N 3.47Å; L698-K701 PolarHBondContact O-N 3.05Å; L698-G702 PolarHBondContact O-N 3.45Å; L698-L703 HydrophobicContact CB-CD1 4.42Å; L698-L703 HydrophobicContact CD2-CD1 3.73Å; L698-L703 WeakPolarHBondContact O-CB 3.49Å; L698-L703 PolarHBondContact O-N 2.94Å; L698-L703 VanDerWaalsContact O-N 3.15Å; L698-V705 HydrophobicContact CB-CG2 3.98Å; L698-Y715 HydrophobicContact CD1-CD1 4.26Å; L698-Y715 HydrophobicContact CD1-CE1 4.03Å; L698-A831 HydrophobicContact CD2-CB 4.01Å; L698-F834 HydrophobicContact CD1-CD2 4.06Å; L698-F834 HydrophobicContact CD1-CE2 4.43Å; L698-F834 HydrophobicContact CD2-CB 3.8Å; L698-F834 HydrophobicContact CD2-CD2 3.61Å; L698-F834 HydrophobicContact CD2-CG 4.11Å; L698-F834 HydrophobicContact CG-CD2 4.47Å
699H88.1Confident87.7Confident34 Ų3448.7 Ų48.716%0.15724%0.237CC..Hα-helixtrans-61.7-46175.1-168.1-94.1000111.7F145 L149 E152 P695 A696 L697 K701 G702 V705F145-H699 HydrophobicContact CE2-CB 3.56Å; F145-H699 AromaticContact CE2-CG 3.61Å; F145-H699 AromaticContact CE2-ND1 3.83Å; F145-H699 HydrophobicContact CZ-CB 3.88Å; L149-H699 VanDerWaalsContact CD2-CE1 3.42Å; L149-H699 WeakPolarHBondContact CD2-CE1 3.28Å; E152-H699 IonicContact OE1-CE1 3.63Å; E152-H699 PolarHBondContact OE1-CE1 3.47Å; E152-H699 IonicContact OE1-ND1 3.9Å; E152-H699 IonicContact OE2-CE1 3.35Å; E152-H699 PolarHBondContact OE2-CE1 3.4Å; P695-H699 PolarHBondContact O-N 3.38Å; A696-H699 PolarHBondContact O-N 2.97Å; L697-H699 VanDerWaalsContact C-N 3.31Å; L697-H699 PolarHBondContact O-N 3.45Å; H699-K701 PolarHBondContact O-N 2.9Å; H699-G702 WeakPolarHBondContact O-CA 3.33Å; H699-G702 PolarHBondContact O-N 3.16Å; H699-V705 HydrophobicContact CB-CG2 4.2Å
700R84Confident87.6Confident128 Ų12847.7 Ų47.748%0.48323%0.233SC..Hα-helixtrans-61.5-30.1177.7-174.7176174.1175.6-0.8113.3A696 L697 G702A696-R700 WeakPolarHBondContact O-CB 3.4Å; A696-R700 PolarHBondContact O-N 3.22Å; L697-R700 PolarHBondContact O-N 2.72Å; R700-G702 PolarHBondContact O-N 3.45Å
701K86.3Confident87.5Confident107 Ų10750.7 Ų50.747%0.46526%0.255SS..THydrogen-bonded Turntrans-75.1-6.1173.4-74.1-72.9-171.5169.30113.5L697 L698 H699 A831L697-K701 WeakPolarHBondContact O-CG 3.32Å; L697-K701 PolarHBondContact O-N 3.12Å; L698-K701 PolarHBondContact O-N 3.05Å; H699-K701 PolarHBondContact O-N 2.9Å; K701-A831 HydrophobicContact CG-CB 4.09Å
702G85.7Confident87.7Confident42 Ų4242.3 Ų42.343%0.43322%0.224SC..THydrogen-bonded Turntrans94.911.6178.600000114.8V680 L698 H699 R700V680-G702 WeakPolarHBondContact CG1-O 3.33Å; L698-G702 PolarHBondContact O-N 3.45Å; H699-G702 WeakPolarHBondContact O-CA 3.33Å; H699-G702 PolarHBondContact O-N 3.16Å; R700-G702 PolarHBondContact O-N 3.45Å
703L88.4Confident87.9Confident13 Ų1341.5 Ų41.57%0.06822%0.219CC..  trans-84.9136.2174.8-60.5171.7000110.4S681 V683 L698 V705 A835S681-L703 WeakPolarHBondContact O-CA 3.27Å; V683-L703 HydrophobicContact CG2-CB 4.5Å; V683-L703 HydrophobicContact CG2-CD1 4.18Å; L698-L703 HydrophobicContact CB-CD1 4.42Å; L698-L703 HydrophobicContact CD2-CD1 3.73Å; L698-L703 WeakPolarHBondContact O-CB 3.49Å; L698-L703 PolarHBondContact O-N 2.94Å; L698-L703 VanDerWaalsContact O-N 3.15Å; L703-V705 PolarHBondContact O-N 3.24Å; L703-A835 HydrophobicContact CD1-CB 4.4Å
704K90Very high88.3Confident113 Ų11338.6 Ų38.649%0.49121%0.206SC..EExtended strand (participates in β ladder)trans-75112.1173.4-176.1174.8-178.2174.60109.7V680 S681 R682 V683V680-K704 HydrophobicContact CG1-CB 4.02Å; S681-K704 PolarHBondContact O-N 3.2Å; R682-K704 CarbonylContact C-O 3.5Å; R682-K704 VanDerWaalsContact CA-O 3.26Å; R682-K704 WeakPolarHBondContact CA-O 3.45Å; R682-K704 HydrophobicContact CB-CB 4.5Å; R682-K704 HydrophobicContact CG-CB 4.38Å; V683-K704 PolarHBondContact N-O 3.06Å
705V91.6Very high88.4Confident5 Ų538.6 Ų38.63%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-89.2120.3179.4178.30000110L117 V685 F690 P695 L698 H699 L703L117-V705 HydrophobicContact CD1-CG1 4.2Å; V685-V705 HydrophobicContact CB-CG1 4.31Å; V685-V705 HydrophobicContact CG2-CG1 3.72Å; F690-V705 HydrophobicContact CE1-CG1 4.16Å; F690-V705 HydrophobicContact CZ-CG1 3.84Å; P695-V705 HydrophobicContact CB-CG1 4.5Å; L698-V705 HydrophobicContact CB-CG2 3.98Å; H699-V705 HydrophobicContact CB-CG2 4.2Å; L703-V705 PolarHBondContact O-N 3.24Å
706E89.9Confident88.6Confident48 Ų4838.5 Ų38.522%0.22421%0.205CC..EExtended strand (participates in β ladder)trans-111.1110.2178.3-168.7173.5164.400110.2V683 I684 V685V683-E706 PolarHBondContact O-N 3.37Å; I684-E706 WeakPolarHBondContact CA-O 3.42Å; V685-E706 PolarHBondContact N-O 2.77Å
707P90.7Very high88.9Confident6 Ų637.6 Ų37.64%0.03920%0.198CC..EExtended strand (participates in β ladder)trans-75.1128.4-179.928.5-32.3000111.3V114 L117 M118 F690V114-P707 HydrophobicContact CG1-CB 4.35Å; V114-P707 HydrophobicContact CG1-CG 4.2Å; V114-P707 HydrophobicContact CG2-CB 4.37Å; L117-P707 HydrophobicContact CB-CG 3.91Å; L117-P707 HydrophobicContact CD1-CG 4.23Å; M118-P707 HydrophobicContact CG-CG 3.74Å; M118-P707 HydrophobicContact SD-CG 3.73Å; F690-P707 HydrophobicContact CE2-CB 3.55Å; F690-P707 HydrophobicContact CZ-CB 3.6Å; F690-P707 HydrophobicContact CZ-CG 4.46Å
708M86.7Confident89Confident49 Ų4936.9 Ų36.924%0.24119%0.194CC..EExtended strand (participates in β ladder)trans-143.4152.8174.7-174.2160.8-68.500110.7I684 V685 D686 M687 L710 A846 L849I684-M708 HydrophobicContact CG2-CB 3.75Å; V685-M708 PolarHBondContact O-N 3.24Å; V685-M708 VanDerWaalsContact O-O 3.14Å; D686-M708 CarbonylContact C-O 3.53Å; D686-M708 WeakPolarHBondContact CA-O 3.2Å; M687-M708 PolarHBondContact N-O 3.35Å; M708-L710 HydrophobicContact CB-CD2 4.26Å; M708-L710 HydrophobicContact CG-CD2 4.1Å; M708-L710 PolarHBondContact O-N 3.3Å; M708-L710 HydrophobicContact SD-CD2 4.41Å; M708-A846 HydrophobicContact CE-CB 3.65Å; M708-A846 HydrophobicContact SD-CB 4.48Å; M708-L849 HydrophobicContact SD-CD1 3.53Å; M708-L849 VanDerWaalsContact SD-CD1 3.53Å
709T86.5Confident88.9Confident104 Ų10439.9 Ų39.964%0.63821%0.213SC*.  trans-81.7113.9167.650.10000109.4M687M687-T709 HydrophobicContact CB-CG2 4.23Å; M687-T709 HydrophobicContact CG-CG2 3.96Å; M687-T709 HydrophobicContact SD-CG2 3.36Å; M687-T709 WeakPolarHBondContact SD-CG2 3.44Å
710L86.5Confident89Confident10 Ų1041.5 Ų41.55%0.05222%0.221CC..  trans-103.8131.6-179.8-58.4179.9000109.5I684 D686 R688 M708 I712 I716 L849I684-L710 HydrophobicContact CG2-CD1 4.42Å; I684-L710 HydrophobicContact CG2-CD2 4.14Å; D686-L710 HydrophobicContact CB-CB 4.18Å; D686-L710 HydrophobicContact CB-CD1 4.17Å; D686-L710 HydrophobicContact CB-CG 4.24Å; D686-L710 WeakPolarHBondContact OD2-CA 3.48Å; D686-L710 WeakPolarHBondContact OD2-CB 3.06Å; D686-L710 PolarHBondContact OD2-N 3.16Å; D686-L710 VanDerWaalsContact OD2-O 3.08Å; R688-L710 PolarHBondContact NH2-O 3.14Å; M708-L710 HydrophobicContact CB-CD2 4.26Å; M708-L710 HydrophobicContact CG-CD2 4.1Å; M708-L710 PolarHBondContact O-N 3.3Å; M708-L710 HydrophobicContact SD-CD2 4.41Å; L710-I712 VanDerWaalsContact C-N 3.3Å; L710-I716 HydrophobicContact CD1-CD1 3.79Å; L710-I716 HydrophobicContact CD1-CG1 3.93Å; L710-I716 HydrophobicContact CD2-CD1 3.83Å; L710-I716 HydrophobicContact CG-CD1 4.46Å; L710-L849 HydrophobicContact CD2-CD1 3.89Å
711S83.9Confident89.4Confident70 Ų7035.6 Ų35.649%0.4920%0.199SC..SBendtrans-73-29.5170.950.10000111.6P850S711-P850 PolarHBondContact OG-O 3.42Å
712I85.3Confident89.8Confident16 Ų1630.5 Ų30.58%0.08218%0.177CC..SBendtrans-133.8130.2-169.8-54.5170000109.2L710 A746 M747 H750 Y751 P850L710-I712 VanDerWaalsContact C-N 3.3Å; I712-A746 HydrophobicContact CG1-CB 4.49Å; I712-A746 HydrophobicContact CG2-CB 4.36Å; I712-M747 HydrophobicContact CG2-CB 4.42Å; I712-M747 HydrophobicContact CG2-CG 3.81Å; I712-H750 HydrophobicContact CD1-CB 4.34Å; I712-H750 WeakPolarHBondContact CD1-CD2 3.48Å; I712-Y751 HydrophobicContact CG2-CE2 4.41Å; I712-P850 HydrophobicContact CD1-CG 4.2Å
713A89.3Confident90.2Very high7 Ų728.5 Ų28.56%0.05816%0.156CC..  trans64.3165.8-177.700000114.8C722 E724 M747A713-C722 HydrophobicContact CB-CB 3.7Å; A713-E724 WeakPolarHBondContact CA-OE2 3.19Å; A713-M747 HydrophobicContact CB-CG 4.32Å; A713-M747 HydrophobicContact CB-SD 4.08Å
714D92.6Very high90.5Very high20 Ų2028.2 Ų28.211%0.10715%0.154CC..SBendtrans-99.4-36.4-174-66-35.6000111.6D686 E689 V723 R725D686-D714 PolarHBondContact N-O 3.12Å; E689-D714 HydrophobicContact CG-CB 3.67Å; D714-V723 PolarHBondContact N-O 3.28Å; D714-R725 PolarHBondContact OD2-N 3.3Å
715Y94.8Very high90.7Very high0 Ų025 Ų250%014%0.139CC..EExtended strand (participates in β ladder)trans-133.6142.8179.3-56.4-93.9000111.2V683 I684 V685 E689 L694 L698 C722 V723 R725 F834V683-Y715 HydrophobicContact CG1-CD1 4.33Å; I684-Y715 WeakPolarHBondContact O-CA 3.26Å; V685-Y715 HydrophobicContact CB-CD1 4.32Å; V685-Y715 HydrophobicContact CB-CE1 4.32Å; V685-Y715 HydrophobicContact CG1-CD1 4.02Å; V685-Y715 HydrophobicContact CG1-CE1 3.59Å; V685-Y715 HydrophobicContact CG2-CD1 3.77Å; V685-Y715 HydrophobicContact CG2-CE1 3.89Å; E689-Y715 HydrophobicContact CB-CE2 4.47Å; E689-Y715 HydrophobicContact CG-CE2 3.85Å; E689-Y715 PolarHBondContact OE2-OH 2.94Å; L694-Y715 HydrophobicContact CD2-CE1 4.12Å; L694-Y715 HydrophobicContact CD2-CE2 3.96Å; L694-Y715 WeakPolarHBondContact CD2-OH 3.07Å; L694-Y715 HydrophobicContact CG-CE1 4.4Å; L698-Y715 HydrophobicContact CD1-CD1 4.26Å; L698-Y715 HydrophobicContact CD1-CE1 4.03Å; Y715-C722 CarbonylContact O-C 3.58Å; Y715-V723 PolarHBondContact N-O 2.93Å; Y715-V723 PolarHBondContact O-N 3.14Å; Y715-R725 HydrophobicContact CD2-CB 4.43Å; Y715-R725 HydrophobicContact CE2-CB 3.97Å; Y715-F834 AromaticContact CD1-CE2 3.96Å; Y715-F834 HydrophobicContact CD1-CE2 3.96Å; Y715-F834 HydrophobicContact CD2-CE2 4.25Å; Y715-F834 HydrophobicContact CD2-CZ 4.41Å; Y715-F834 AromaticContact CG-CE2 3.85Å; Y715-F834 HydrophobicContact CG-CE2 3.85Å; Y715-F834 HydrophobicContact CG-CZ 4.35Å
716I93.9Very high90.7Very high1 Ų125.8 Ų25.81%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-122.4112173.4-53.4174000107.9I684 L710 A718 Y751 P844 L849I684-I716 HydrophobicContact CB-CB 4.22Å; I684-I716 PolarHBondContact N-O 3.34Å; I684-I716 PolarHBondContact O-N 3.32Å; L710-I716 HydrophobicContact CD1-CD1 3.79Å; L710-I716 HydrophobicContact CD1-CG1 3.93Å; L710-I716 HydrophobicContact CD2-CD1 3.83Å; L710-I716 HydrophobicContact CG-CD1 4.46Å; I716-A718 WeakPolarHBondContact CG2-O 3.29Å; I716-Y751 VanDerWaalsContact CD1-OH 3.28Å; I716-Y751 WeakPolarHBondContact CD1-OH 3.47Å; I716-Y751 HydrophobicContact CG2-CE1 4.44Å; I716-P844 HydrophobicContact CG2-CB 4.01Å; I716-L849 HydrophobicContact CD1-CD1 4.12Å; I716-L849 HydrophobicContact CD1-CD2 3.34Å; I716-L849 HydrophobicContact CD1-CG 4.38Å
717L92.9Very high90.5Very high1 Ų125.1 Ų25.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-93.7-32-175.5-59-177.5000112.2V683 L721 V723 F834 I837 K838V683-L717 HydrophobicContact CB-CD2 4.46Å; V683-L717 HydrophobicContact CG1-CD2 3.75Å; V683-L717 HydrophobicContact CG2-CD2 3.85Å; L717-L721 HydrophobicContact CB-CD2 3.79Å; L717-L721 HydrophobicContact CB-CG 4.28Å; L717-L721 HydrophobicContact CD1-CD2 4Å; L717-L721 HydrophobicContact CG-CD2 4.39Å; L717-L721 PolarHBondContact N-O 2.94Å; L717-V723 HydrophobicContact CD1-CG2 3.75Å; L717-V723 HydrophobicContact CG-CG2 4.07Å; L717-F834 HydrophobicContact CD1-CD1 3.85Å; L717-F834 HydrophobicContact CD1-CD2 4.32Å; L717-F834 HydrophobicContact CD1-CE1 4.09Å; L717-F834 HydrophobicContact CD1-CG 3.98Å; L717-F834 HydrophobicContact CD1-CZ 4.43Å; L717-F834 HydrophobicContact CD2-CB 4.33Å; L717-F834 HydrophobicContact CD2-CD2 3.62Å; L717-F834 HydrophobicContact CD2-CE2 4.02Å; L717-F834 HydrophobicContact CD2-CG 3.95Å; L717-I837 HydrophobicContact CD1-CG2 4.2Å; L717-K838 HydrophobicContact CB-CG 4.39Å; L717-K838 WeakPolarHBondContact O-CE 3.3Å
718A90.7Very high90.1Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-150162.6176.300000109.3I716 H720 L721 R841I716-A718 WeakPolarHBondContact CG2-O 3.29Å; A718-H720 PolarHBondContact O-N 3.4Å; A718-L721 HydrophobicContact CB-CB 4.04Å; A718-L721 PolarHBondContact O-N 3.15Å; A718-L721 VanDerWaalsContact O-O 3.12Å; A718-R841 HydrophobicContact CB-CB 4.42Å
719P89.4Confident89.7Confident63 Ų6327.2 Ų27.241%0.40916%0.161SC..THydrogen-bonded Turntrans-53.5-27.8-177.9-27.233.2000115.2P842 E843P719-P842 VanDerWaalsContact CD-O 3.28Å; P719-P842 WeakPolarHBondContact CD-O 3.35Å; P719-E843 WeakPolarHBondContact CG-O 3.39Å
720H90.3Very high89.6Confident69 Ų6926.8 Ų26.832%0.31916%0.155SC..THydrogen-bonded Turntrans-102.8-6.1-179.261.4-84.4000113.8A718 A752 S753A718-H720 PolarHBondContact O-N 3.4Å; H720-A752 HydrophobicContact CB-CB 4.43Å; H720-S753 PolarHBondContact O-N 2.92Å
721L92.6Very high89.6Confident4 Ų426.3 Ų26.32%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-122110.7-169.1178.365.7000110.9L717 A718 S753 V755 I837L717-L721 HydrophobicContact CB-CD2 3.79Å; L717-L721 HydrophobicContact CB-CG 4.28Å; L717-L721 HydrophobicContact CD1-CD2 4Å; L717-L721 HydrophobicContact CG-CD2 4.39Å; L717-L721 PolarHBondContact N-O 2.94Å; A718-L721 HydrophobicContact CB-CB 4.04Å; A718-L721 PolarHBondContact O-N 3.15Å; A718-L721 VanDerWaalsContact O-O 3.12Å; L721-S753 VanDerWaalsContact CD1-O 3.29Å; L721-S753 WeakPolarHBondContact CD1-O 3.5Å; L721-V755 HydrophobicContact CD1-CG2 3.46Å; L721-V755 VanDerWaalsContact CD1-CG2 3.46Å; L721-I837 HydrophobicContact CD2-CG2 3.58Å
722C93.5Very high89.6Confident0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-111.5149.917272.40000110.7A713 Y715 Y751 S753 V755A713-C722 HydrophobicContact CB-CB 3.7Å; Y715-C722 CarbonylContact O-C 3.58Å; C722-Y751 HydrophobicContact CB-CD1 3.99Å; C722-Y751 HydrophobicContact CB-CD2 3.66Å; C722-Y751 HydrophobicContact CB-CE1 4.26Å; C722-Y751 HydrophobicContact CB-CE2 3.95Å; C722-Y751 HydrophobicContact CB-CG 3.68Å; C722-Y751 VanDerWaalsContact SG-CD2 3.56Å; C722-S753 PolarHBondContact N-O 2.92Å; C722-V755 WeakPolarHBondContact O-CB 3.42Å; C722-V755 PolarHBondContact O-N 3.14Å
723V95.3Very high89.4Confident0 Ų026.3 Ų26.30%016%0.156CC..EExtended strand (participates in β ladder)trans-127.9126.5178.1-172.70000109.4D714 Y715 L717 V755 L757 F834D714-V723 PolarHBondContact N-O 3.28Å; Y715-V723 PolarHBondContact N-O 2.93Å; Y715-V723 PolarHBondContact O-N 3.14Å; L717-V723 HydrophobicContact CD1-CG2 3.75Å; L717-V723 HydrophobicContact CG-CG2 4.07Å; V723-V755 CarbonylContact C-O 3.55Å; V723-V755 WeakPolarHBondContact CA-O 3.42Å; V723-V755 HydrophobicContact CB-CB 4.48Å; V723-V755 HydrophobicContact CG1-CB 4.42Å; V723-V755 HydrophobicContact CG1-CG1 4.13Å; V723-V755 HydrophobicContact CG2-CB 4.11Å; V723-V755 HydrophobicContact CG2-CG1 4.36Å; V723-L757 HydrophobicContact CG1-CB 3.6Å; V723-L757 HydrophobicContact CG1-CD2 4.49Å; V723-F834 HydrophobicContact CB-CZ 4.33Å; V723-F834 HydrophobicContact CG1-CE1 4.34Å; V723-F834 HydrophobicContact CG1-CZ 4.01Å; V723-F834 HydrophobicContact CG2-CE1 4.41Å; V723-F834 HydrophobicContact CG2-CZ 4.3Å
724E95Very high89.3Confident6 Ų626.4 Ų26.43%0.02816%0.156CC..EExtended strand (participates in β ladder)trans-99.4125.2165.2-178.388.117900108.1A713 K726 Q743 M747 V755 L756 L757A713-E724 WeakPolarHBondContact CA-OE2 3.19Å; E724-K726 WeakPolarHBondContact OE1-CE 3.3Å; E724-K726 IonicContact OE1-NZ 3.76Å; E724-K726 PolarHBondContact OE1-NZ 3.27Å; E724-Q743 VanDerWaalsContact OE1-CD 3.27Å; E724-Q743 PolarHBondContact OE1-NE2 3.24Å; E724-Q743 PolarHBondContact OE1-OE1 3.21Å; E724-M747 HydrophobicContact CB-CE 3.85Å; E724-M747 HydrophobicContact CB-SD 3.74Å; E724-V755 PolarHBondContact N-O 2.82Å; E724-L756 HydrophobicContact CB-CD1 4.33Å; E724-L756 HydrophobicContact CG-CD1 4.33Å; E724-L757 PolarHBondContact O-N 2.94Å
725R94.3Very high89Confident45 Ų4526.3 Ų26.317%0.1716%0.155CC..EExtended strand (participates in β ladder)trans-95.4132.3179.4178.9170.5168.9-96.9-5.6109.8E689 S692 D714 Y715 L757 E759E689-R725 IonicContact OE2-NH1 2.68Å; E689-R725 PolarHBondContact OE2-NH1 3.01Å; E689-R725 VanDerWaalsContact OE2-NH1 3.13Å; S692-R725 PolarHBondContact OG-NH1 3.2Å; D714-R725 PolarHBondContact OD2-N 3.3Å; Y715-R725 HydrophobicContact CD2-CB 4.43Å; Y715-R725 HydrophobicContact CE2-CB 3.97Å; R725-L757 HydrophobicContact CB-CD2 4.3Å; R725-L757 HydrophobicContact CG-CD2 4.04Å; R725-E759 IonicContact CZ-OE1 2.76Å; R725-E759 IonicContact CZ-OE2 2.98Å; R725-E759 VanDerWaalsContact CZ-OE2 3.26Å; R725-E759 IonicContact NE-OE1 2.79Å; R725-E759 PolarHBondContact NE-OE1 3.48Å; R725-E759 IonicContact NE-OE2 3.31Å; R725-E759 PolarHBondContact NE-OE2 2.87Å; R725-E759 IonicContact NH2-OE1 3.61Å; R725-E759 IonicContact NH2-OE2 2.72Å; R725-E759 PolarHBondContact NH2-OE2 2.92Å
726K90.2Very high88.4Confident22 Ų2231 Ų3110%0.09618%0.181CC..EExtended strand (participates in β ladder)trans-134.6129.4174.9-67.4-64.8175.7-130.70111.2E724 D730 L731 L756 L757 I758 E759E724-K726 WeakPolarHBondContact OE1-CE 3.3Å; E724-K726 IonicContact OE1-NZ 3.76Å; E724-K726 PolarHBondContact OE1-NZ 3.27Å; K726-D730 HydrophobicContact CD-CB 4.12Å; K726-L731 HydrophobicContact CB-CB 4.39Å; K726-L756 HydrophobicContact CB-CD1 4.41Å; K726-L756 HydrophobicContact CG-CD1 3.81Å; K726-L757 PolarHBondContact N-O 3.37Å; K726-I758 WeakPolarHBondContact O-CA 3.48Å; K726-E759 PolarHBondContact O-N 3.17Å
727S85.8Confident87.9Confident35 Ų3535 Ų3525%0.24521%0.209CC..EExtended strand (participates in β ladder)trans-70.1162161.271.40000110.2S729 D730 L731S727-S729 VanDerWaalsContact C-N 3.31Å; S727-S729 PolarHBondContact O-N 2.97Å; S727-S729 PolarHBondContact OG-OG 2.93Å; S727-S729 VanDerWaalsContact OG-OG 3.06Å; S727-D730 PolarHBondContact O-N 3.08Å; S727-D730 WeakPolarHBondContact OG-CB 3.3Å; S727-D730 PolarHBondContact OG-N 3.19Å; S727-D730 VanDerWaalsContact OG-N 3.15Å; S727-D730 PolarHBondContact OG-OD2 3.24Å; S727-L731 VanDerWaalsContact O-CB 3.32Å; S727-L731 WeakPolarHBondContact O-CB 3.5Å; S727-L731 PolarHBondContact O-N 2.87Å
728V82Confident87.4Confident33 Ų3336.4 Ų36.420%0.222%0.223CC..Hα-helixtrans-59.5-40.4177.1-178.20000112.1L731 I732 E759 F760 F785V728-L731 WeakPolarHBondContact O-CB 3.39Å; V728-L731 PolarHBondContact O-N 3.46Å; V728-I732 HydrophobicContact CG1-CD1 4.05Å; V728-I732 WeakPolarHBondContact O-CD1 3.28Å; V728-I732 VanDerWaalsContact O-CG1 3.28Å; V728-I732 WeakPolarHBondContact O-CG1 3.32Å; V728-I732 PolarHBondContact O-N 3.19Å; V728-E759 WeakPolarHBondContact CG2-O 3.39Å; V728-E759 PolarHBondContact N-O 2.96Å; V728-F760 HydrophobicContact CG2-CB 3.7Å; V728-F785 HydrophobicContact CG1-CZ 4.32Å; V728-F785 HydrophobicContact CG2-CE2 4.03Å; V728-F785 HydrophobicContact CG2-CZ 3.81Å
729S78Confident87.2Confident65 Ų6543.7 Ų43.746%0.45525%0.251SS..Hα-helixtrans-64.6-45.1177.445.20000111.7S727 L731 I732 G733S727-S729 VanDerWaalsContact C-N 3.31Å; S727-S729 PolarHBondContact O-N 2.97Å; S727-S729 PolarHBondContact OG-OG 2.93Å; S727-S729 VanDerWaalsContact OG-OG 3.06Å; S729-L731 VanDerWaalsContact C-N 3.32Å; S729-L731 PolarHBondContact O-N 2.86Å; S729-I732 PolarHBondContact O-N 3.26Å; S729-G733 PolarHBondContact O-N 2.89Å
730D85.1Confident87.3Confident96 Ų9640.9 Ų40.951%0.51323%0.232SC..Hα-helixtrans-68.3-33177.7-65.2-37000112K726 S727 G733 S734K726-D730 HydrophobicContact CD-CB 4.12Å; S727-D730 PolarHBondContact O-N 3.08Å; S727-D730 WeakPolarHBondContact OG-CB 3.3Å; S727-D730 PolarHBondContact OG-N 3.19Å; S727-D730 VanDerWaalsContact OG-N 3.15Å; S727-D730 PolarHBondContact OG-OD2 3.24Å; D730-G733 PolarHBondContact O-N 3.36Å; D730-S734 WeakPolarHBondContact O-CB 3.41Å; D730-S734 PolarHBondContact O-N 3.14Å; D730-S734 PolarHBondContact O-OG 3.08Å
731L87.3Confident87.3Confident0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-61.7-48.7172.6-179.866.5000110.8K726 S727 V728 S729 G733 S734 L735 L740 L756 I758 L809K726-L731 HydrophobicContact CB-CB 4.39Å; S727-L731 VanDerWaalsContact O-CB 3.32Å; S727-L731 WeakPolarHBondContact O-CB 3.5Å; S727-L731 PolarHBondContact O-N 2.87Å; V728-L731 WeakPolarHBondContact O-CB 3.39Å; V728-L731 PolarHBondContact O-N 3.46Å; S729-L731 VanDerWaalsContact C-N 3.32Å; S729-L731 PolarHBondContact O-N 2.86Å; L731-G733 PolarHBondContact O-N 3.1Å; L731-S734 PolarHBondContact O-N 2.97Å; L731-S734 PolarHBondContact O-OG 3.22Å; L731-L735 HydrophobicContact CD1-CD1 3.78Å; L731-L735 HydrophobicContact CD1-CG 4.13Å; L731-L735 HydrophobicContact CG-CD1 3.87Å; L731-L735 VanDerWaalsContact O-CB 3.28Å; L731-L735 WeakPolarHBondContact O-CB 3.28Å; L731-L735 VanDerWaalsContact O-CG 3.32Å; L731-L735 WeakPolarHBondContact O-CG 3.42Å; L731-L735 PolarHBondContact O-N 2.95Å; L731-L740 HydrophobicContact CD1-CD2 3.77Å; L731-L756 HydrophobicContact CD1-CD2 4.45Å; L731-I758 HydrophobicContact CD1-CD1 4.48Å; L731-I758 HydrophobicContact CD2-CD1 3.81Å; L731-I758 HydrophobicContact CD2-CG1 4.27Å; L731-I758 HydrophobicContact CD2-CG2 4.05Å; L731-L809 HydrophobicContact CD1-CD1 4.49Å
732I82.3Confident87.1Confident46 Ų4648.3 Ų48.324%0.23626%0.263CS..Hα-helixtrans-58.9-48.7176.6-66.1157.1000110.4V728 S729 N736 L805V728-I732 HydrophobicContact CG1-CD1 4.05Å; V728-I732 WeakPolarHBondContact O-CD1 3.28Å; V728-I732 VanDerWaalsContact O-CG1 3.28Å; V728-I732 WeakPolarHBondContact O-CG1 3.32Å; V728-I732 PolarHBondContact O-N 3.19Å; S729-I732 PolarHBondContact O-N 3.26Å; I732-N736 WeakPolarHBondContact O-CB 3.37Å; I732-N736 VanDerWaalsContact O-CG 3.28Å; I732-N736 PolarHBondContact O-N 3.02Å; I732-N736 PolarHBondContact O-ND2 2.93Å; I732-L805 HydrophobicContact CB-CD1 3.94Å; I732-L805 HydrophobicContact CG1-CD1 3.26Å; I732-L805 HydrophobicContact CG2-CD1 4.37Å
733G82.7Confident86.9Confident40 Ų4049.9 Ų49.941%0.41227%0.271SS..Hα-helixtrans-64.2-43.9-179.500000113.2S729 D730 L731 N736 S737S729-G733 PolarHBondContact O-N 2.89Å; D730-G733 PolarHBondContact O-N 3.36Å; L731-G733 PolarHBondContact O-N 3.1Å; G733-N736 PolarHBondContact O-N 3.06Å; G733-S737 WeakPolarHBondContact O-CB 3.31Å; G733-S737 PolarHBondContact O-N 3.18Å; G733-S737 PolarHBondContact O-OG 3.23Å
734S85.8Confident86.7Confident8 Ų850 Ų506%0.05627%0.271CS..Hα-helixtrans-72.4-33-178.662.80000113.2D730 L731 S737 G738 R739 L740D730-S734 WeakPolarHBondContact O-CB 3.41Å; D730-S734 PolarHBondContact O-N 3.14Å; D730-S734 PolarHBondContact O-OG 3.08Å; L731-S734 PolarHBondContact O-N 2.97Å; L731-S734 PolarHBondContact O-OG 3.22Å; S734-S737 WeakPolarHBondContact CA-OG 3.41Å; S734-S737 PolarHBondContact O-OG 2.75Å; S734-G738 CarbonylContact O-C 3.48Å; S734-G738 PolarHBondContact O-N 3.37Å; S734-G738 VanDerWaalsContact O-N 3.11Å; S734-R739 PolarHBondContact O-N 3.33Å; S734-R739 VanDerWaalsContact O-N 3.1Å; S734-L740 PolarHBondContact O-N 3.33Å
735L86.7Confident86.3Confident18 Ų1851 Ų519%0.09428%0.278CS..Hα-helixtrans-71.9-35.5171.8-76.5171.7000112.4L731 L740 L805 K808 L809 L812L731-L735 HydrophobicContact CD1-CD1 3.78Å; L731-L735 HydrophobicContact CD1-CG 4.13Å; L731-L735 HydrophobicContact CG-CD1 3.87Å; L731-L735 VanDerWaalsContact O-CB 3.28Å; L731-L735 WeakPolarHBondContact O-CB 3.28Å; L731-L735 VanDerWaalsContact O-CG 3.32Å; L731-L735 WeakPolarHBondContact O-CG 3.42Å; L731-L735 PolarHBondContact O-N 2.95Å; L735-L740 HydrophobicContact CD2-CD2 3.78Å; L735-L740 HydrophobicContact CG-CD2 3.99Å; L735-L805 HydrophobicContact CD1-CD1 4.1Å; L735-L805 HydrophobicContact CD1-CD2 4.16Å; L735-L805 HydrophobicContact CD1-CG 3.77Å; L735-K808 HydrophobicContact CD2-CB 4.43Å; L735-L809 HydrophobicContact CD1-CD1 4.49Å; L735-L812 HydrophobicContact CD2-CD1 3.99Å
736N82.1Confident86Confident99 Ų9950.3 Ų50.353%0.52928%0.282SS..Hα-helixtrans-75-34.8178.1-76-25.5000113I732 G733 K808I732-N736 WeakPolarHBondContact O-CB 3.37Å; I732-N736 VanDerWaalsContact O-CG 3.28Å; I732-N736 PolarHBondContact O-N 3.02Å; I732-N736 PolarHBondContact O-ND2 2.93Å; G733-N736 PolarHBondContact O-N 3.06Å; N736-K808 PolarHBondContact OD1-NZ 3.45Å
737S83.1Confident85.9Confident86 Ų8649.4 Ų49.460%0.60128%0.278SS*.Hα-helixtrans-80.2-15.717556.90000114G733 S734 R739G733-S737 WeakPolarHBondContact O-CB 3.31Å; G733-S737 PolarHBondContact O-N 3.18Å; G733-S737 PolarHBondContact O-OG 3.23Å; S734-S737 WeakPolarHBondContact CA-OG 3.41Å; S734-S737 PolarHBondContact O-OG 2.75Å; S737-R739 PolarHBondContact O-N 3.34Å
738G83.2Confident86.1Confident29 Ų2949.7 Ų49.730%0.29928%0.28SS..SBendtrans79.4-1.5-173.600000114.4S734 L740 Y741S734-G738 CarbonylContact O-C 3.48Å; S734-G738 PolarHBondContact O-N 3.37Å; S734-G738 VanDerWaalsContact O-N 3.11Å; G738-L740 VanDerWaalsContact C-N 3.28Å; G738-L740 PolarHBondContact O-N 2.86Å; G738-Y741 WeakPolarHBondContact O-CB 3.49Å; G738-Y741 PolarHBondContact O-N 3.17Å
739R87.2Confident86.2Confident154 Ų15457.5 Ų57.558%0.58131%0.306SS*.Hα-helixtrans-56.4-40.5-179.8178.7177.4170.9176.8-1.5112.7S734 S737 Y741 H742 Q743S734-R739 PolarHBondContact O-N 3.33Å; S734-R739 VanDerWaalsContact O-N 3.1Å; S737-R739 PolarHBondContact O-N 3.34Å; R739-Y741 PolarHBondContact O-N 3.1Å; R739-H742 PolarHBondContact O-N 3.25Å; R739-H742 VanDerWaalsContact O-N 3.15Å; R739-Q743 HydrophobicContact CG-CG 4.4Å; R739-Q743 WeakPolarHBondContact O-CG 3.42Å; R739-Q743 PolarHBondContact O-N 3.47Å; R739-Q743 VanDerWaalsContact O-N 3.14Å
740L90Very high86.5Confident3 Ų358.4 Ų58.42%0.01630%0.303CS..Hα-helixtrans-61.8-33-177.2-172.561.9000112.3L731 S734 L735 G738 Q743 A744 L756 L812L731-L740 HydrophobicContact CD1-CD2 3.77Å; S734-L740 PolarHBondContact O-N 3.33Å; L735-L740 HydrophobicContact CD2-CD2 3.78Å; L735-L740 HydrophobicContact CG-CD2 3.99Å; G738-L740 VanDerWaalsContact C-N 3.28Å; G738-L740 PolarHBondContact O-N 2.86Å; L740-Q743 PolarHBondContact O-N 3.46Å; L740-A744 WeakPolarHBondContact O-CB 3.43Å; L740-A744 PolarHBondContact O-N 3.48Å; L740-L756 HydrophobicContact CD1-CD1 4.01Å; L740-L756 HydrophobicContact CD2-CD2 4.1Å; L740-L812 HydrophobicContact CB-CD1 4.31Å; L740-L812 HydrophobicContact CD2-CD1 3.74Å; L740-L812 HydrophobicContact CG-CD1 3.8Å
741Y90.5Very high86.7Confident96 Ų9654.7 Ų54.738%0.37628%0.282SS..Hα-helixtrans-64.4-42.3177.4-180-88.1000111.7G738 R739 A744 T745 H815 F816G738-Y741 WeakPolarHBondContact O-CB 3.49Å; G738-Y741 PolarHBondContact O-N 3.17Å; R739-Y741 PolarHBondContact O-N 3.1Å; Y741-A744 PolarHBondContact O-N 3.5Å; Y741-T745 WeakPolarHBondContact O-CB 3.44Å; Y741-T745 PolarHBondContact O-N 3.45Å; Y741-T745 PolarHBondContact O-OG1 2.97Å; Y741-H815 HydrophobicContact CE2-CB 4.46Å; Y741-H815 AromaticContact CE2-CE1 3.86Å; Y741-H815 AromaticContact CE2-CG 3.79Å; Y741-H815 AromaticContact CE2-ND1 3.61Å; Y741-H815 AromaticContact CZ-CE1 3.71Å; Y741-H815 AromaticContact CZ-ND1 3.92Å; Y741-H815 PolarHBondContact OH-CE1 3.23Å; Y741-H815 PolarHBondContact OH-NE2 2.95Å; Y741-F816 AromaticContact CD2-CE2 3.65Å; Y741-F816 HydrophobicContact CD2-CE2 3.65Å; Y741-F816 HydrophobicContact CD2-CZ 4.12Å; Y741-F816 AromaticContact CE2-CE2 3.65Å; Y741-F816 HydrophobicContact CE2-CE2 3.65Å; Y741-F816 AromaticContact CE2-CZ 3.83Å; Y741-F816 HydrophobicContact CE2-CZ 3.83Å; Y741-F816 HydrophobicContact CG-CE2 4.37Å
742H88.2Confident86.8Confident133 Ų13358 Ų5862%0.61631%0.309SS*.Hα-helixtrans-65.3-39.8175.6-66.2-62.9000111.9R739 T745 A746R739-H742 PolarHBondContact O-N 3.25Å; R739-H742 VanDerWaalsContact O-N 3.15Å; H742-T745 WeakPolarHBondContact O-CB 3.49Å; H742-T745 PolarHBondContact O-N 3.29Å; H742-A746 PolarHBondContact O-N 2.92Å
743Q89.7Confident87.3Confident34 Ų3458 Ų5816%0.15931%0.313CS..Hα-helixtrans-65-46.2175.9-64.8-179-6400111.7E724 R739 L740 T745 A746 M747E724-Q743 VanDerWaalsContact OE1-CD 3.27Å; E724-Q743 PolarHBondContact OE1-NE2 3.24Å; E724-Q743 PolarHBondContact OE1-OE1 3.21Å; R739-Q743 HydrophobicContact CG-CG 4.4Å; R739-Q743 WeakPolarHBondContact O-CG 3.42Å; R739-Q743 PolarHBondContact O-N 3.47Å; R739-Q743 VanDerWaalsContact O-N 3.14Å; L740-Q743 PolarHBondContact O-N 3.46Å; Q743-T745 VanDerWaalsContact C-N 3.27Å; Q743-T745 PolarHBondContact O-N 3.39Å; Q743-A746 PolarHBondContact O-N 3.33Å; Q743-M747 WeakPolarHBondContact O-CG 3.32Å; Q743-M747 PolarHBondContact O-N 3.03Å
744A90.6Very high87.8Confident1 Ų156 Ų561%0.00829%0.293CS..Hα-helixtrans-61.1-36.8175.100000112.1L740 Y741 S748 F816 L819L740-A744 WeakPolarHBondContact O-CB 3.43Å; L740-A744 PolarHBondContact O-N 3.48Å; Y741-A744 PolarHBondContact O-N 3.5Å; A744-S748 VanDerWaalsContact O-CB 3.31Å; A744-S748 WeakPolarHBondContact O-CB 3.3Å; A744-S748 PolarHBondContact O-N 2.84Å; A744-S748 PolarHBondContact O-OG 2.81Å; A744-F816 HydrophobicContact CB-CD2 3.89Å; A744-F816 HydrophobicContact CB-CE2 3.86Å; A744-F816 HydrophobicContact CB-CG 4.32Å; A744-F816 HydrophobicContact CB-CZ 4.26Å; A744-L819 HydrophobicContact CB-CD2 4.4Å
745T88.6Confident88.3Confident27 Ų2755.8 Ų55.817%0.16629%0.291CS..Hα-helixtrans-62.8-47173.9-55.10000111.2Y741 H742 Q743 R749 F816Y741-T745 WeakPolarHBondContact O-CB 3.44Å; Y741-T745 PolarHBondContact O-N 3.45Å; Y741-T745 PolarHBondContact O-OG1 2.97Å; H742-T745 WeakPolarHBondContact O-CB 3.49Å; H742-T745 PolarHBondContact O-N 3.29Å; Q743-T745 VanDerWaalsContact C-N 3.27Å; Q743-T745 PolarHBondContact O-N 3.39Å; T745-R749 VanDerWaalsContact O-CG 3.3Å; T745-R749 WeakPolarHBondContact O-CG 3.28Å; T745-R749 PolarHBondContact O-N 3.06Å; T745-F816 VanDerWaalsContact OG1-CZ 3.3Å; T745-F816 WeakPolarHBondContact OG1-CZ 3.37Å
746A86.4Confident88.7Confident32 Ų3255 Ų5526%0.26429%0.287SS..Hα-helixtrans-62.9-49.417800000111.3I712 H742 Q743 S748 R749 H750I712-A746 HydrophobicContact CG1-CB 4.49Å; I712-A746 HydrophobicContact CG2-CB 4.36Å; H742-A746 PolarHBondContact O-N 2.92Å; Q743-A746 PolarHBondContact O-N 3.33Å; A746-S748 PolarHBondContact O-N 3.38Å; A746-R749 PolarHBondContact O-N 2.77Å; A746-H750 PolarHBondContact O-CD2 2.89Å; A746-H750 PolarHBondContact O-N 3.4Å
747M89.7Confident89.3Confident2 Ų250.3 Ų50.31%0.0126%0.262CS..Hα-helixtrans-58.3-46.2178.2-69.9-168.3-69.400112.7I712 A713 E724 Q743 R749 H750 Y751 P754 L819I712-M747 HydrophobicContact CG2-CB 4.42Å; I712-M747 HydrophobicContact CG2-CG 3.81Å; A713-M747 HydrophobicContact CB-CG 4.32Å; A713-M747 HydrophobicContact CB-SD 4.08Å; E724-M747 HydrophobicContact CB-CE 3.85Å; E724-M747 HydrophobicContact CB-SD 3.74Å; Q743-M747 WeakPolarHBondContact O-CG 3.32Å; Q743-M747 PolarHBondContact O-N 3.03Å; M747-R749 PolarHBondContact O-N 3.25Å; M747-H750 PolarHBondContact O-N 3.05Å; M747-Y751 PolarHBondContact O-N 3.41Å; M747-P754 HydrophobicContact CB-CB 3.82Å; M747-L819 HydrophobicContact CE-CD1 4.24Å
748S88.7Confident89.8Confident41 Ų4146.2 Ų46.229%0.28723%0.233SC..Hα-helixtrans-66.5-21-178.1-54.10000113.7A744 A746 F816A744-S748 VanDerWaalsContact O-CB 3.31Å; A744-S748 WeakPolarHBondContact O-CB 3.3Å; A744-S748 PolarHBondContact O-N 2.84Å; A744-S748 PolarHBondContact O-OG 2.81Å; A746-S748 PolarHBondContact O-N 3.38Å; S748-F816 WeakPolarHBondContact OG-CD1 3.35Å
749R84.8Confident89.9Confident197 Ų19745.8 Ų45.874%0.74322%0.224SC*.Hα-helixtrans-77.3-36.3176.2-75.9171.8179.8-179.20.9112.5T745 A746 M747T745-R749 VanDerWaalsContact O-CG 3.3Å; T745-R749 WeakPolarHBondContact O-CG 3.28Å; T745-R749 PolarHBondContact O-N 3.06Å; A746-R749 PolarHBondContact O-N 2.77Å; M747-R749 PolarHBondContact O-N 3.25Å
750H84.1Confident89.6Confident85 Ų8539.9 Ų39.939%0.39420%0.202SC..Hα-helixtrans-102.2-27.2-171.9-67.6-86.1000113.8I712 A746 M747 P850I712-H750 HydrophobicContact CD1-CB 4.34Å; I712-H750 WeakPolarHBondContact CD1-CD2 3.48Å; A746-H750 PolarHBondContact O-CD2 2.89Å; A746-H750 PolarHBondContact O-N 3.4Å; M747-H750 PolarHBondContact O-N 3.05Å; H750-P850 HydrophobicContact CB-CG 4.15Å; H750-P850 WeakPolarHBondContact ND1-CB 3.49Å
751Y88.8Confident88.6Confident17 Ų1743.6 Ų43.67%0.06723%0.228CC..  trans-120.7137-177.2-64.7-83.9000111.5I712 I716 C722 M747 S753 L849I712-Y751 HydrophobicContact CG2-CE2 4.41Å; I716-Y751 VanDerWaalsContact CD1-OH 3.28Å; I716-Y751 WeakPolarHBondContact CD1-OH 3.47Å; I716-Y751 HydrophobicContact CG2-CE1 4.44Å; C722-Y751 HydrophobicContact CB-CD1 3.99Å; C722-Y751 HydrophobicContact CB-CD2 3.66Å; C722-Y751 HydrophobicContact CB-CE1 4.26Å; C722-Y751 HydrophobicContact CB-CE2 3.95Å; C722-Y751 HydrophobicContact CB-CG 3.68Å; C722-Y751 VanDerWaalsContact SG-CD2 3.56Å; M747-Y751 PolarHBondContact O-N 3.41Å; Y751-S753 VanDerWaalsContact C-N 3.34Å; Y751-L849 VanDerWaalsContact OH-CD2 3.3Å; Y751-L849 WeakPolarHBondContact OH-CD2 3.39Å
752A90.1Very high87.3Confident69 Ų6942.4 Ų42.457%0.5723%0.228SC*.SBendtrans-70.6-30.5179.600000112.7H720H720-A752 HydrophobicContact CB-CB 4.43Å
753S92.2Very high85.6Confident46 Ų4639 Ų3932%0.32222%0.218SC..EExtended strand (participates in β ladder)trans-12680.7-179.3-630000110.5H720 L721 C722 Y751H720-S753 PolarHBondContact O-N 2.92Å; L721-S753 VanDerWaalsContact CD1-O 3.29Å; L721-S753 WeakPolarHBondContact CD1-O 3.5Å; C722-S753 PolarHBondContact N-O 2.92Å; Y751-S753 VanDerWaalsContact C-N 3.34Å
754P94.5Very high83.5Confident0 Ų044.9 Ų44.90%025%0.25CS..EExtended strand (participates in β ladder)trans-76.5134.7173.430.8-32.2000110.8M747 L819 R820M747-P754 HydrophobicContact CB-CB 3.82Å; P754-L819 HydrophobicContact CB-CD1 3.9Å; P754-L819 HydrophobicContact CG-CD1 4.13Å; P754-L819 WeakPolarHBondContact O-CA 3.41Å; P754-R820 PolarHBondContact O-N 3.3Å
755V95.7Very high81.1Confident3 Ų351.6 Ų51.62%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-119.9133.6177.7175.20000110.1L721 C722 V723 E724 R820 F822L721-V755 HydrophobicContact CD1-CG2 3.46Å; L721-V755 VanDerWaalsContact CD1-CG2 3.46Å; C722-V755 WeakPolarHBondContact O-CB 3.42Å; C722-V755 PolarHBondContact O-N 3.14Å; V723-V755 CarbonylContact C-O 3.55Å; V723-V755 WeakPolarHBondContact CA-O 3.42Å; V723-V755 HydrophobicContact CB-CB 4.48Å; V723-V755 HydrophobicContact CG1-CB 4.42Å; V723-V755 HydrophobicContact CG1-CG1 4.13Å; V723-V755 HydrophobicContact CG2-CB 4.11Å; V723-V755 HydrophobicContact CG2-CG1 4.36Å; E724-V755 PolarHBondContact N-O 2.82Å; V755-R820 CarbonylContact C-O 3.58Å; V755-R820 WeakPolarHBondContact CA-O 3.16Å; V755-R820 HydrophobicContact CG2-CB 4.26Å; V755-F822 HydrophobicContact CB-CE2 4.41Å; V755-F822 HydrophobicContact CG1-CB 4.32Å; V755-F822 HydrophobicContact CG1-CD1 4.47Å; V755-F822 HydrophobicContact CG1-CD2 3.33Å; V755-F822 HydrophobicContact CG1-CE2 3.56Å; V755-F822 HydrophobicContact CG1-CG 3.8Å; V755-F822 HydrophobicContact CG1-CZ 4.27Å; V755-F822 HydrophobicContact CG2-CE2 3.96Å; V755-F822 HydrophobicContact CG2-CZ 4.18Å
756L95.2Very high78.5Confident1 Ų157 Ų571%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-101.2112.3165.1179.964.5000108.7E724 K726 L731 L740 I758 L819 R820 I821 F822E724-L756 HydrophobicContact CB-CD1 4.33Å; E724-L756 HydrophobicContact CG-CD1 4.33Å; K726-L756 HydrophobicContact CB-CD1 4.41Å; K726-L756 HydrophobicContact CG-CD1 3.81Å; L731-L756 HydrophobicContact CD1-CD2 4.45Å; L740-L756 HydrophobicContact CD1-CD1 4.01Å; L740-L756 HydrophobicContact CD2-CD2 4.1Å; L756-I758 HydrophobicContact CD2-CD1 4.26Å; L756-I758 HydrophobicContact CD2-CG1 4.34Å; L756-I758 HydrophobicContact CG-CG1 4.13Å; L756-L819 HydrophobicContact CB-CD1 4.41Å; L756-R820 PolarHBondContact N-O 2.82Å; L756-I821 HydrophobicContact CB-CG1 4.49Å; L756-I821 CarbonylContact O-C 3.37Å; L756-I821 WeakPolarHBondContact O-CA 3.38Å; L756-F822 PolarHBondContact O-N 3.39Å
757L95Very high75.9Confident0 Ų060.6 Ų60.60%034%0.335CS..EExtended strand (participates in β ladder)trans-91.3120.9173.6173.473.2000109.4V723 E724 R725 K726 E759 F822 T830 F834V723-L757 HydrophobicContact CG1-CB 3.6Å; V723-L757 HydrophobicContact CG1-CD2 4.49Å; E724-L757 PolarHBondContact O-N 2.94Å; R725-L757 HydrophobicContact CB-CD2 4.3Å; R725-L757 HydrophobicContact CG-CD2 4.04Å; K726-L757 PolarHBondContact N-O 3.37Å; L757-E759 HydrophobicContact CD2-CG 4.47Å; L757-E759 HydrophobicContact CG-CG 4.48Å; L757-F822 HydrophobicContact CD1-CB 3.89Å; L757-T830 HydrophobicContact CD1-CG2 4.32Å; L757-T830 HydrophobicContact CD2-CG2 3.3Å; L757-T830 HydrophobicContact CG-CG2 4.43Å; L757-F834 HydrophobicContact CD2-CE1 4.21Å; L757-F834 HydrophobicContact CD2-CZ 4.09Å
758I91.7Very high73.1Confident0 Ų065 Ų650%037%0.366CS..EExtended strand (participates in β ladder)trans-108.6115.3177.1-56.8171.2000109K726 L731 L756 I821 F822 W823 S824K726-I758 WeakPolarHBondContact O-CA 3.48Å; L731-I758 HydrophobicContact CD1-CD1 4.48Å; L731-I758 HydrophobicContact CD2-CD1 3.81Å; L731-I758 HydrophobicContact CD2-CG1 4.27Å; L731-I758 HydrophobicContact CD2-CG2 4.05Å; L756-I758 HydrophobicContact CD2-CD1 4.26Å; L756-I758 HydrophobicContact CD2-CG1 4.34Å; L756-I758 HydrophobicContact CG-CG1 4.13Å; I758-I821 HydrophobicContact CD1-CG2 3.58Å; I758-I821 HydrophobicContact CG1-CG2 4.19Å; I758-F822 PolarHBondContact N-O 3.06Å; I758-W823 HydrophobicContact CB-CD2 4.38Å; I758-W823 HydrophobicContact CB-CE3 3.78Å; I758-W823 HydrophobicContact CB-CZ3 3.87Å; I758-W823 HydrophobicContact CD1-CE3 4.23Å; I758-W823 HydrophobicContact CD1-CH2 3.49Å; I758-W823 VanDerWaalsContact CD1-CH2 3.49Å; I758-W823 HydrophobicContact CD1-CZ2 3.81Å; I758-W823 HydrophobicContact CD1-CZ3 3.73Å; I758-W823 HydrophobicContact CG1-CZ3 4.41Å; I758-W823 HydrophobicContact CG2-CE3 3.77Å; I758-W823 HydrophobicContact CG2-CH2 4.36Å; I758-W823 HydrophobicContact CG2-CZ3 3.51Å; I758-W823 WeakPolarHBondContact O-CA 3.49Å; I758-S824 PolarHBondContact O-N 3.33Å
759E86.4Confident70.3Confident20 Ų2070 Ų709%0.09339%0.389CS..EExtended strand (participates in β ladder)trans-94.3129173.8-71-174.8173.500110.7R725 K726 V728 L757 S824 T830R725-E759 IonicContact CZ-OE1 2.76Å; R725-E759 IonicContact CZ-OE2 2.98Å; R725-E759 VanDerWaalsContact CZ-OE2 3.26Å; R725-E759 IonicContact NE-OE1 2.79Å; R725-E759 PolarHBondContact NE-OE1 3.48Å; R725-E759 IonicContact NE-OE2 3.31Å; R725-E759 PolarHBondContact NE-OE2 2.87Å; R725-E759 IonicContact NH2-OE1 3.61Å; R725-E759 IonicContact NH2-OE2 2.72Å; R725-E759 PolarHBondContact NH2-OE2 2.92Å; K726-E759 PolarHBondContact O-N 3.17Å; V728-E759 WeakPolarHBondContact CG2-O 3.39Å; V728-E759 PolarHBondContact N-O 2.96Å; L757-E759 HydrophobicContact CD2-CG 4.47Å; L757-E759 HydrophobicContact CG-CG 4.48Å; E759-S824 WeakPolarHBondContact CA-O 3.32Å; E759-T830 PolarHBondContact OE1-OG1 3.28Å
760F81.1Confident67.9Low30 Ų3068.9 Ų68.913%0.13240%0.398CS..  trans-133.3139.6-179.968.9-84.7000111.6V728 I762 F785 W823 S824 M825V728-F760 HydrophobicContact CG2-CB 3.7Å; F760-I762 HydrophobicContact CD2-CG1 4.41Å; F760-I762 HydrophobicContact CE2-CG1 4Å; F760-F785 HydrophobicContact CB-CD1 4.22Å; F760-F785 HydrophobicContact CB-CD2 3.9Å; F760-F785 HydrophobicContact CB-CE1 4.02Å; F760-F785 HydrophobicContact CB-CE2 3.69Å; F760-F785 HydrophobicContact CB-CG 4.15Å; F760-F785 HydrophobicContact CB-CZ 3.74Å; F760-F785 HydrophobicContact CD2-CB 3.46Å; F760-F785 VanDerWaalsContact CD2-CB 3.46Å; F760-F785 AromaticContact CD2-CD1 3.84Å; F760-F785 HydrophobicContact CD2-CD1 3.84Å; F760-F785 AromaticContact CD2-CD2 3.72Å; F760-F785 HydrophobicContact CD2-CD2 3.72Å; F760-F785 HydrophobicContact CD2-CE1 4.49Å; F760-F785 HydrophobicContact CD2-CE2 4.39Å; F760-F785 AromaticContact CD2-CG 3.39Å; F760-F785 HydrophobicContact CD2-CG 3.39Å; F760-F785 HydrophobicContact CE2-CB 3.55Å; F760-F785 HydrophobicContact CE2-CD1 4.32Å; F760-F785 AromaticContact CE2-CG 3.96Å; F760-F785 HydrophobicContact CE2-CG 3.96Å; F760-F785 HydrophobicContact CG-CB 4.4Å; F760-F785 AromaticContact CG-CD1 3.93Å; F760-F785 HydrophobicContact CG-CD1 3.93Å; F760-F785 HydrophobicContact CG-CD2 4.11Å; F760-F785 HydrophobicContact CG-CE1 4.16Å; F760-F785 HydrophobicContact CG-CE2 4.34Å; F760-F785 AromaticContact CG-CG 3.89Å; F760-F785 HydrophobicContact CG-CG 3.89Å; F760-F785 HydrophobicContact CG-CZ 4.35Å; F760-W823 HydrophobicContact CD1-CE3 4.27Å; F760-W823 HydrophobicContact CE1-CB 4.04Å; F760-S824 WeakPolarHBondContact CD1-O 3.4Å; F760-S824 PolarHBondContact N-O 2.77Å; F760-M825 HydrophobicContact CE1-CG 3.99Å; F760-M825 HydrophobicContact CE2-CG 3.65Å; F760-M825 HydrophobicContact CZ-CB 4.38Å; F760-M825 HydrophobicContact CZ-CG 3.31Å; F760-M825 HydrophobicContact CZ-SD 4.43Å; F760-M825 CarbonylContact O-C 3.59Å; F760-M825 WeakPolarHBondContact O-CA 3.41Å
761S67.8Low65.3Low81 Ų8174 Ų7457%0.56642%0.422SS*.PPolyproline II helixtrans-93.5132.1170.757.80000110.1
762I63.2Low62.6Low72 Ų7276.9 Ų76.937%0.36946%0.456SS..PPolyproline II helixtrans-72.6128.2165.9-58.2-175.5000107.2F760 N764 M825F760-I762 HydrophobicContact CD2-CG1 4.41Å; F760-I762 HydrophobicContact CE2-CG1 4Å; I762-N764 PolarHBondContact O-N 3.36Å; I762-N764 VanDerWaalsContact O-N 3.15Å; I762-M825 HydrophobicContact CD1-CE 3.19Å; I762-M825 HydrophobicContact CD1-SD 4.04Å; I762-M825 HydrophobicContact CG1-CE 3.88Å
763P54Low60Low62 Ų6279.4 Ų79.440%0.40347%0.47SS..PPolyproline II helixtrans-60.6121.9170.723.9-30.1000108.1K765P763-K765 PolarHBondContact O-N 2.97Å
764N45.4Very low57Low157 Ų15787.3 Ų87.384%0.8450%0.498SS*.  trans-55.1102.3175.5-78.4-17.4000108.8I762 V766I762-N764 PolarHBondContact O-N 3.36Å; I762-N764 VanDerWaalsContact O-N 3.15Å; N764-V766 PolarHBondContact O-N 3.47Å; N764-V766 VanDerWaalsContact O-N 3.17Å
765K39.9Very low54.1Low142 Ų14298.8 Ų98.862%0.61754%0.541SS*.  trans-60.8117.7162.3-117.3179.8-179.7-177.90105P763 S767P763-K765 PolarHBondContact O-N 2.97Å; K765-S767 PolarHBondContact O-N 3.02Å
766V34.6Very low50.9Low139 Ų139102.3 Ų102.384%0.84258%0.578SS**  trans-58.390.2166.2179.60000106.9N764N764-V766 PolarHBondContact O-N 3.47Å; N764-V766 VanDerWaalsContact O-N 3.17Å
767S30.3Very low47.9Very low109 Ų109112.3 Ų112.376%0.76262%0.622SS**  trans-63.3130.1158.4-77.70000107K765K765-S767 PolarHBondContact O-N 3.02Å
768S31.7Very low44.8Very low94 Ų94121.7 Ų121.766%0.65767%0.666SS**SBendtrans112.2101.8159.6-159.70000116.2
769L30.3Very low41.8Very low145 Ų145124.9 Ų124.976%0.75970%0.698SS**  trans50.6101.4139-75.186.1000118.6
770N33.4Very low39Very low175 Ų175130.2 Ų130.294%0.93674%0.737SS**  trans-137.6113.8131.5-91.5-30.4000110
771H30.9Very low36.7Very low193 Ų193136.6 Ų136.689%0.89477%0.768SS**  trans-51.2140173.8-100.817.2000112.2
772G30.7Very low35.1Very low76 Ų76137.3 Ų137.378%0.78478%0.779SS**  trans137.7-2.3144.800000119.7
773S35.9Very low34Very low123 Ų123138.1 Ų138.186%0.8679%0.787SS**  trans-125.496179.4-74.40000113.3R775S773-R775 PolarHBondContact O-N 2.89Å
774K30.2Very low33.4Very low211 Ų211137.1 Ų137.192%0.91779%0.788SS**  trans-67.190.3165.9-69179177.71780109.8
775R33.5Very low33.5Very low242 Ų242132.5 Ų132.591%0.91376%0.761SS**  trans-139.3122.2153.9-80.8-165.7171.6167.9-1.6109.2S773S773-R775 PolarHBondContact O-N 2.89Å
776G27.9Very low34Very low77 Ų77128.4 Ų128.479%0.79475%0.747SS**  trans-78.2149.1-156.600000115.1
777F31.1Very low34.9Very low210 Ų210123.8 Ų123.892%0.92172%0.718SS**  trans-144.8109148.6-126.2-92.1000106.7
778H29.9Very low35.9Very low198 Ų198123 Ų12392%0.91770%0.699SS**  trans-65.8134.8165.7-86.5-63.2000108.5
779G29.9Very low36.8Very low66 Ų66122 Ų12268%0.6869%0.689SS**  trans134.396.4169.300000113E781G779-E781 VanDerWaalsContact C-N 3.26Å; G779-E781 PolarHBondContact O-N 3.02Å
780S27.9Very low37.6Very low132 Ų132116.8 Ų116.892%0.92367%0.67SS**  trans-66.580.8167.7170.10000110.1
781E31.8Very low37.9Very low164 Ų164117.4 Ų117.477%0.76666%0.66SS**  trans-108.3112.9169-72.4-172.717500109.7G779 V783G779-E781 VanDerWaalsContact C-N 3.26Å; G779-E781 PolarHBondContact O-N 3.02Å; E781-V783 PolarHBondContact O-N 3.02Å
782A34.7Very low38.5Very low97 Ų97112.4 Ų112.480%0.80264%0.636SS**  trans-53.2111.2162.100000107.1G784A782-G784 PolarHBondContact O-N 3.22Å
783V39.8Very low39.1Very low88 Ų88110.9 Ų110.953%0.53362%0.616SS.*  trans-71.481.9175.8177.80000106.1E781E781-V783 PolarHBondContact O-N 3.02Å
784G41Very low39.3Very low42 Ų42107.6 Ų107.643%0.43359%0.588SS.*  trans-65.3157170.200000109.8A782 T786A782-G784 PolarHBondContact O-N 3.22Å; G784-T786 PolarHBondContact O-N 3.13Å
785F48.1Very low40Very low60 Ų60102.1 Ų102.126%0.26357%0.569SS.*  trans-53.2118.5167.8172.3-99.6000108.5V728 F760 L787 W823V728-F785 HydrophobicContact CG1-CZ 4.32Å; V728-F785 HydrophobicContact CG2-CE2 4.03Å; V728-F785 HydrophobicContact CG2-CZ 3.81Å; F760-F785 HydrophobicContact CB-CD1 4.22Å; F760-F785 HydrophobicContact CB-CD2 3.9Å; F760-F785 HydrophobicContact CB-CE1 4.02Å; F760-F785 HydrophobicContact CB-CE2 3.69Å; F760-F785 HydrophobicContact CB-CG 4.15Å; F760-F785 HydrophobicContact CB-CZ 3.74Å; F760-F785 HydrophobicContact CD2-CB 3.46Å; F760-F785 VanDerWaalsContact CD2-CB 3.46Å; F760-F785 AromaticContact CD2-CD1 3.84Å; F760-F785 HydrophobicContact CD2-CD1 3.84Å; F760-F785 AromaticContact CD2-CD2 3.72Å; F760-F785 HydrophobicContact CD2-CD2 3.72Å; F760-F785 HydrophobicContact CD2-CE1 4.49Å; F760-F785 HydrophobicContact CD2-CE2 4.39Å; F760-F785 AromaticContact CD2-CG 3.39Å; F760-F785 HydrophobicContact CD2-CG 3.39Å; F760-F785 HydrophobicContact CE2-CB 3.55Å; F760-F785 HydrophobicContact CE2-CD1 4.32Å; F760-F785 AromaticContact CE2-CG 3.96Å; F760-F785 HydrophobicContact CE2-CG 3.96Å; F760-F785 HydrophobicContact CG-CB 4.4Å; F760-F785 AromaticContact CG-CD1 3.93Å; F760-F785 HydrophobicContact CG-CD1 3.93Å; F760-F785 HydrophobicContact CG-CD2 4.11Å; F760-F785 HydrophobicContact CG-CE1 4.16Å; F760-F785 HydrophobicContact CG-CE2 4.34Å; F760-F785 AromaticContact CG-CG 3.89Å; F760-F785 HydrophobicContact CG-CG 3.89Å; F760-F785 HydrophobicContact CG-CZ 4.35Å; F785-L787 HydrophobicContact CE1-CD2 3.71Å; F785-L787 HydrophobicContact CE1-CG 4.02Å; F785-L787 HydrophobicContact CZ-CD2 3.56Å; F785-L787 HydrophobicContact CZ-CG 4.3Å; F785-W823 HydrophobicContact CE1-CZ3 4.14Å
786T50.3Low40.8Very low55 Ų5597 Ų9734%0.33757%0.568SS.*  trans-119.8135.8171.849.20000106.9G784 Y788G784-T786 PolarHBondContact O-N 3.13Å; T786-Y788 HydrophobicContact CG2-CD2 3.59Å; T786-Y788 HydrophobicContact CG2-CE2 4.2Å; T786-Y788 PolarHBondContact O-N 2.68Å
787L54.7Low41.9Very low43 Ų4398.6 Ų98.623%0.22557%0.566CS.*THydrogen-bonded Turntrans-64.210165.8-63.9170.1000112.1F785 L805 L806 W823F785-L787 HydrophobicContact CE1-CD2 3.71Å; F785-L787 HydrophobicContact CE1-CG 4.02Å; F785-L787 HydrophobicContact CZ-CD2 3.56Å; F785-L787 HydrophobicContact CZ-CG 4.3Å; L787-L805 HydrophobicContact CD1-CD2 3.9Å; L787-L805 HydrophobicContact CD2-CD2 4.17Å; L787-L805 HydrophobicContact CG-CD2 4.48Å; L787-L806 HydrophobicContact CD1-CD1 4.07Å; L787-W823 HydrophobicContact CD1-CH2 4.2Å
788Y51.1Low43Very low91 Ų9191 Ų9136%0.35754%0.539SS..THydrogen-bonded Turntrans-100.5-1.7-170.4-54.7-52.2000113.5T786 G790 A793 I794 L806T786-Y788 HydrophobicContact CG2-CD2 3.59Å; T786-Y788 HydrophobicContact CG2-CE2 4.2Å; T786-Y788 PolarHBondContact O-N 2.68Å; Y788-G790 PolarHBondContact O-N 3.33Å; Y788-A793 WeakPolarHBondContact O-CA 3.15Å; Y788-A793 WeakPolarHBondContact O-CB 3.12Å; Y788-A793 PolarHBondContact O-N 3.22Å; Y788-I794 HydrophobicContact CD1-CB 4.43Å; Y788-I794 HydrophobicContact CD1-CD1 4.21Å; Y788-I794 HydrophobicContact CD1-CG1 4.08Å; Y788-I794 HydrophobicContact CE1-CB 4.48Å; Y788-I794 HydrophobicContact CE1-CD1 3.56Å; Y788-I794 HydrophobicContact CE1-CG1 3.95Å; Y788-L806 HydrophobicContact CE1-CD2 4.28Å
789T49Very low44.1Very low73 Ų7390.2 Ų90.245%0.44854%0.536SS..SBendtrans-86104.917853.70000111.6
790G48.1Very low45.5Very low36 Ų3695.7 Ų95.737%0.37154%0.541SS..SBendtrans138.1-166178.100000112.5Y788 H792 A793Y788-G790 PolarHBondContact O-N 3.33Å; G790-H792 PolarHBondContact O-N 3.29Å; G790-A793 PolarHBondContact O-N 2.97Å
791R38.9Very low46.9Very low189 Ų18992.9 Ų92.971%0.71352%0.516SS*.THydrogen-bonded Turntrans-53-6.8179.5-83.3-176.8-178.8170-2.9115.8S277S277-R791 PolarHBondContact OG-NH2 2.87Å
792H43.2Very low48.4Very low88 Ų8889.3 Ų89.341%0.40751%0.509SS..THydrogen-bonded Turntrans-116.713-176.7-61.6-59.1000113.2G790 I794 H804G790-H792 PolarHBondContact O-N 3.29Å; H792-I794 PolarHBondContact O-N 3.29Å; H792-H804 WeakPolarHBondContact CB-ND1 3.43Å; H792-H804 AromaticContact CG-ND1 3.8Å; H792-H804 AromaticContact ND1-ND1 3.51Å; H792-H804 PolarHBondContact O-ND1 2.91Å
793A44.7Very low49.9Very low43 Ų4390.5 Ų90.536%0.35550%0.498SS..  trans-51116.3165.100000108.2Y788 G790 N795Y788-A793 WeakPolarHBondContact O-CA 3.15Å; Y788-A793 WeakPolarHBondContact O-CB 3.12Å; Y788-A793 PolarHBondContact O-N 3.22Å; G790-A793 PolarHBondContact O-N 2.97Å; A793-N795 PolarHBondContact O-N 3.49Å
794I40.3Very low51.5Low54 Ų5487 Ų8728%0.27748%0.476SS..  trans-68.796.4165.4-59.4177.6000103.6Y788 H792 P796 L806Y788-I794 HydrophobicContact CD1-CB 4.43Å; Y788-I794 HydrophobicContact CD1-CD1 4.21Å; Y788-I794 HydrophobicContact CD1-CG1 4.08Å; Y788-I794 HydrophobicContact CE1-CB 4.48Å; Y788-I794 HydrophobicContact CE1-CD1 3.56Å; Y788-I794 HydrophobicContact CE1-CG1 3.95Å; H792-I794 PolarHBondContact O-N 3.29Å; I794-P796 WeakPolarHBondContact O-CD 3.48Å; I794-L806 HydrophobicContact CD1-CD2 4.46Å
795N45.1Very low53.1Low97 Ų9786.1 Ų86.152%0.51946%0.461SS..  trans-58128.2154.7-88.3-17.2000104.3A793 S797 S798A793-N795 PolarHBondContact O-N 3.49Å; N795-S797 PolarHBondContact O-N 2.96Å; N795-S798 PolarHBondContact N-OG 3.33Å; N795-S798 PolarHBondContact O-N 2.88Å; N795-S798 PolarHBondContact O-OG 3.28Å
796P48.4Very low54.6Low135 Ų13585.9 Ų85.988%0.87746%0.462SS*.THydrogen-bonded Turntrans-56.8-11.2177.619.5-29.4000112.5I794I794-P796 WeakPolarHBondContact O-CD 3.48Å
797S52.4Low56.2Low110 Ų11085.2 Ų85.277%0.76946%0.462SS*.THydrogen-bonded Turntrans-101.2-2.9173.754.90000116.5N795N795-S797 PolarHBondContact O-N 2.96Å
798S54.6Low57.7Low49 Ų4985.8 Ų85.834%0.34346%0.463SS..SBendtrans-103.2135.5179.466.80000112.3N795N795-S798 PolarHBondContact N-OG 3.33Å; N795-S798 PolarHBondContact O-N 2.88Å; N795-S798 PolarHBondContact O-OG 3.28Å
799E53.1Low59.5Low183 Ų18381.9 Ų81.986%0.85545%0.448SS*.  trans-44.8138.5179-62.5176.4167.500113.2N801E799-N801 VanDerWaalsContact C-N 3.34Å; E799-N801 PolarHBondContact O-N 3.04Å
800F57.5Low61.4Low180 Ų18081.8 Ų81.879%0.78945%0.447SS*.  trans-57.294.1171-88.3-89000109.8S802F800-S802 PolarHBondContact O-N 3.43Å
801N58.9Low63.4Low73 Ų7385.8 Ų85.839%0.3946%0.459SS..  trans-72.2122.5173.5-167.6-20.7000109.2E799 H803 H804E799-N801 VanDerWaalsContact C-N 3.34Å; E799-N801 PolarHBondContact O-N 3.04Å; N801-H803 PolarHBondContact O-N 2.87Å; N801-H803 WeakPolarHBondContact OD1-CB 3.36Å; N801-H803 PolarHBondContact OD1-CD2 3.31Å; N801-H803 PolarHBondContact OD1-N 3.41Å; N801-H803 VanDerWaalsContact OD1-N 3.08Å; N801-H804 WeakPolarHBondContact CB-CD2 3.19Å; N801-H804 VanDerWaalsContact CB-NE2 3.3Å; N801-H804 WeakPolarHBondContact CB-NE2 3.3Å; N801-H804 PolarHBondContact N-CD2 3.15Å; N801-H804 PolarHBondContact N-NE2 2.84Å; N801-H804 WeakPolarHBondContact O-CB 3.43Å; N801-H804 PolarHBondContact O-CD2 3.44Å; N801-H804 PolarHBondContact O-N 3.12Å
802S62.2Low65.9Low89 Ų8977.2 Ų77.262%0.62243%0.428SS*.THydrogen-bonded Turntrans-57.4-18.9176.356.30000113.3F800 H804F800-S802 PolarHBondContact O-N 3.43Å; S802-H804 VanDerWaalsContact C-N 3.32Å
803H66.9Low68.2Low122 Ų12275.3 Ų75.357%0.56542%0.423SS*.THydrogen-bonded Turntrans-80.3-5.3175.6-61.6-61000114.5N801N801-H803 PolarHBondContact O-N 2.87Å; N801-H803 WeakPolarHBondContact OD1-CB 3.36Å; N801-H803 PolarHBondContact OD1-CD2 3.31Å; N801-H803 PolarHBondContact OD1-N 3.41Å; N801-H803 VanDerWaalsContact OD1-N 3.08Å
804H72.3Confident70.5Confident15 Ų1579.1 Ų79.17%0.06944%0.435CS..  trans-65.8139.8177.6-70.9-65.2000111.9H792 N801 S802 L806 A807 K808H792-H804 WeakPolarHBondContact CB-ND1 3.43Å; H792-H804 AromaticContact CG-ND1 3.8Å; H792-H804 AromaticContact ND1-ND1 3.51Å; H792-H804 PolarHBondContact O-ND1 2.91Å; N801-H804 WeakPolarHBondContact CB-CD2 3.19Å; N801-H804 VanDerWaalsContact CB-NE2 3.3Å; N801-H804 WeakPolarHBondContact CB-NE2 3.3Å; N801-H804 PolarHBondContact N-CD2 3.15Å; N801-H804 PolarHBondContact N-NE2 2.84Å; N801-H804 WeakPolarHBondContact O-CB 3.43Å; N801-H804 PolarHBondContact O-CD2 3.44Å; N801-H804 PolarHBondContact O-N 3.12Å; S802-H804 VanDerWaalsContact C-N 3.32Å; H804-L806 VanDerWaalsContact C-N 3.3Å; H804-L806 PolarHBondContact O-N 3.48Å; H804-A807 HydrophobicContact CB-CB 4.5Å; H804-A807 WeakPolarHBondContact O-CB 3.36Å; H804-A807 PolarHBondContact O-N 3.26Å; H804-K808 PolarHBondContact O-N 3.02Å
805L75.3Confident72.9Confident24 Ų2481.3 Ų81.313%0.12644%0.444CS..Hα-helixtrans-59.8-39.2179.7-176.7144.3000112.8I732 L735 L787 A807 K808 L809I732-L805 HydrophobicContact CB-CD1 3.94Å; I732-L805 HydrophobicContact CG1-CD1 3.26Å; I732-L805 HydrophobicContact CG2-CD1 4.37Å; L735-L805 HydrophobicContact CD1-CD1 4.1Å; L735-L805 HydrophobicContact CD1-CD2 4.16Å; L735-L805 HydrophobicContact CD1-CG 3.77Å; L787-L805 HydrophobicContact CD1-CD2 3.9Å; L787-L805 HydrophobicContact CD2-CD2 4.17Å; L787-L805 HydrophobicContact CG-CD2 4.48Å; L805-A807 VanDerWaalsContact C-N 3.32Å; L805-A807 PolarHBondContact O-N 3.23Å; L805-K808 PolarHBondContact O-N 3.42Å; L805-L809 WeakPolarHBondContact O-CB 3.34Å; L805-L809 PolarHBondContact O-N 3.13Å
806L80.6Confident75.2Confident54 Ų5477.5 Ų77.528%0.28342%0.423SS..Hα-helixtrans-60.3-43.3177.6-168.182.7000111.3L787 Y788 I794 H804 K808 L809 V810L787-L806 HydrophobicContact CD1-CD1 4.07Å; Y788-L806 HydrophobicContact CE1-CD2 4.28Å; I794-L806 HydrophobicContact CD1-CD2 4.46Å; H804-L806 VanDerWaalsContact C-N 3.3Å; H804-L806 PolarHBondContact O-N 3.48Å; L806-K808 VanDerWaalsContact C-N 3.32Å; L806-K808 PolarHBondContact O-N 3.26Å; L806-L809 PolarHBondContact O-N 3.43Å; L806-V810 WeakPolarHBondContact O-CB 3.46Å; L806-V810 VanDerWaalsContact O-CG2 3.29Å; L806-V810 WeakPolarHBondContact O-CG2 3.29Å; L806-V810 PolarHBondContact O-N 2.78Å
807A83.3Confident77.2Confident42 Ų4275.9 Ų75.935%0.34741%0.413SS..Hα-helixtrans-62.3-41.5178.100000111.3H804 L805 L811H804-A807 HydrophobicContact CB-CB 4.5Å; H804-A807 WeakPolarHBondContact O-CB 3.36Å; H804-A807 PolarHBondContact O-N 3.26Å; L805-A807 VanDerWaalsContact C-N 3.32Å; L805-A807 PolarHBondContact O-N 3.23Å; A807-L811 WeakPolarHBondContact O-CB 3.45Å; A807-L811 PolarHBondContact O-N 2.98Å
808K85.7Confident79.1Confident55 Ų5575.4 Ų75.424%0.23940%0.401CS..Hα-helixtrans-65.1-40.1174.5-65.3-175.2-179.8-173.60112.7L735 N736 H804 L805 L806 L811 L812L735-K808 HydrophobicContact CD2-CB 4.43Å; N736-K808 PolarHBondContact OD1-NZ 3.45Å; H804-K808 PolarHBondContact O-N 3.02Å; L805-K808 PolarHBondContact O-N 3.42Å; L806-K808 VanDerWaalsContact C-N 3.32Å; L806-K808 PolarHBondContact O-N 3.26Å; K808-L811 PolarHBondContact O-N 3.21Å; K808-L812 WeakPolarHBondContact O-CB 3.45Å; K808-L812 PolarHBondContact O-N 3.33Å
809L88Confident81Confident9 Ų973.6 Ų73.65%0.04739%0.388CS..Hα-helixtrans-66.6-44.1178.1-172.868.5000111.2L731 L735 L805 L806 L811 L812 T813 I821 W823L731-L809 HydrophobicContact CD1-CD1 4.49Å; L735-L809 HydrophobicContact CD1-CD1 4.49Å; L805-L809 WeakPolarHBondContact O-CB 3.34Å; L805-L809 PolarHBondContact O-N 3.13Å; L806-L809 PolarHBondContact O-N 3.43Å; L809-L811 VanDerWaalsContact C-N 3.34Å; L809-L812 WeakPolarHBondContact O-CB 3.18Å; L809-L812 PolarHBondContact O-N 3.38Å; L809-T813 PolarHBondContact O-N 3.36Å; L809-I821 HydrophobicContact CD1-CD1 4.07Å; L809-I821 HydrophobicContact CD2-CD1 4.42Å; L809-I821 HydrophobicContact CG-CD1 4.24Å; L809-W823 HydrophobicContact CD2-CH2 4.2Å; L809-W823 HydrophobicContact CD2-CZ2 4.25Å
810V89.2Confident82.9Confident70 Ų7072.5 Ų72.542%0.42438%0.376SS..Hα-helixtrans-62.8-41.5174.6172.20000110.9L806 L812 T813 I814L806-V810 WeakPolarHBondContact O-CB 3.46Å; L806-V810 VanDerWaalsContact O-CG2 3.29Å; L806-V810 WeakPolarHBondContact O-CG2 3.29Å; L806-V810 PolarHBondContact O-N 2.78Å; V810-L812 VanDerWaalsContact C-N 3.25Å; V810-L812 PolarHBondContact O-N 2.92Å; V810-T813 PolarHBondContact O-N 3.37Å; V810-T813 PolarHBondContact O-OG1 3.22Å; V810-I814 HydrophobicContact CG1-CD1 3.83Å; V810-I814 HydrophobicContact CG1-CG1 4.43Å; V810-I814 VanDerWaalsContact O-CG1 3.25Å; V810-I814 WeakPolarHBondContact O-CG1 3.29Å; V810-I814 PolarHBondContact O-N 2.94Å
811L90.5Very high84.7Confident120 Ų12065.9 Ų65.963%0.62835%0.348SS*.Hα-helixtrans-59.7-39.1174.8-178.563.3000111.8A807 K808 L809 I814 H815A807-L811 WeakPolarHBondContact O-CB 3.45Å; A807-L811 PolarHBondContact O-N 2.98Å; K808-L811 PolarHBondContact O-N 3.21Å; L809-L811 VanDerWaalsContact C-N 3.34Å; L811-I814 PolarHBondContact O-N 3.43Å; L811-H815 PolarHBondContact O-N 2.85Å; L811-H815 VanDerWaalsContact O-N 3.09Å
812L91.1Very high86.4Confident9 Ų965.1 Ų65.15%0.04734%0.342CS..Hα-helixtrans-66.4-43.5177.7-168.7153.5000111.7L735 L740 K808 L809 V810 I814 H815 F816 L819L735-L812 HydrophobicContact CD2-CD1 3.99Å; L740-L812 HydrophobicContact CB-CD1 4.31Å; L740-L812 HydrophobicContact CD2-CD1 3.74Å; L740-L812 HydrophobicContact CG-CD1 3.8Å; K808-L812 WeakPolarHBondContact O-CB 3.45Å; K808-L812 PolarHBondContact O-N 3.33Å; L809-L812 WeakPolarHBondContact O-CB 3.18Å; L809-L812 PolarHBondContact O-N 3.38Å; V810-L812 VanDerWaalsContact C-N 3.25Å; V810-L812 PolarHBondContact O-N 2.92Å; L812-I814 VanDerWaalsContact C-N 3.33Å; L812-I814 PolarHBondContact O-N 2.95Å; L812-H815 PolarHBondContact O-N 2.88Å; L812-F816 HydrophobicContact CD2-CD2 4.26Å; L812-F816 HydrophobicContact CG-CD2 4.3Å; L812-F816 WeakPolarHBondContact O-CD2 3.37Å; L812-F816 PolarHBondContact O-N 3.29Å; L812-F816 VanDerWaalsContact O-N 3.07Å; L812-L819 HydrophobicContact CD2-CD2 3.17Å
813T91.2Very high87.7Confident49 Ų4966.2 Ų66.230%0.30133%0.332SS..Hα-helixtrans-68.4-31.5177.557.30000112.9L809 V810 F816 I821L809-T813 PolarHBondContact O-N 3.36Å; V810-T813 PolarHBondContact O-N 3.37Å; V810-T813 PolarHBondContact O-OG1 3.22Å; T813-F816 CarbonylContact O-C 3.6Å; T813-I821 HydrophobicContact CG2-CD1 3.46Å; T813-I821 VanDerWaalsContact CG2-CD1 3.46Å; T813-I821 HydrophobicContact CG2-CG1 4.29Å
814I93.4Very high88.8Confident122 Ų12260.7 Ų60.763%0.62631%0.308SS*.Hα-helixtrans-65.4-42.1172.6-69166.7000110.7V810 L811 L812V810-I814 HydrophobicContact CG1-CD1 3.83Å; V810-I814 HydrophobicContact CG1-CG1 4.43Å; V810-I814 VanDerWaalsContact O-CG1 3.25Å; V810-I814 WeakPolarHBondContact O-CG1 3.29Å; V810-I814 PolarHBondContact O-N 2.94Å; L811-I814 PolarHBondContact O-N 3.43Å; L812-I814 VanDerWaalsContact C-N 3.33Å; L812-I814 PolarHBondContact O-N 2.95Å
815H91.8Very high89.5Confident100 Ų10064.5 Ų64.546%0.46333%0.326SS..Hα-helixtrans-71.2-30.8-178.7-165.2-81.7000113.1Y741 L811 L812 P817Y741-H815 HydrophobicContact CE2-CB 4.46Å; Y741-H815 AromaticContact CE2-CE1 3.86Å; Y741-H815 AromaticContact CE2-CG 3.79Å; Y741-H815 AromaticContact CE2-ND1 3.61Å; Y741-H815 AromaticContact CZ-CE1 3.71Å; Y741-H815 AromaticContact CZ-ND1 3.92Å; Y741-H815 PolarHBondContact OH-CE1 3.23Å; Y741-H815 PolarHBondContact OH-NE2 2.95Å; L811-H815 PolarHBondContact O-N 2.85Å; L811-H815 VanDerWaalsContact O-N 3.09Å; L812-H815 PolarHBondContact O-N 2.88Å; H815-P817 WeakPolarHBondContact O-CD 3.4Å
816F92.7Very high90Very high18 Ų1865.9 Ų65.98%0.07934%0.336CS..  trans-120.783.3-180-59.4-76.7000110.9Y741 A744 T745 S748 L812 T813 N818 L819Y741-F816 AromaticContact CD2-CE2 3.65Å; Y741-F816 HydrophobicContact CD2-CE2 3.65Å; Y741-F816 HydrophobicContact CD2-CZ 4.12Å; Y741-F816 AromaticContact CE2-CE2 3.65Å; Y741-F816 HydrophobicContact CE2-CE2 3.65Å; Y741-F816 AromaticContact CE2-CZ 3.83Å; Y741-F816 HydrophobicContact CE2-CZ 3.83Å; Y741-F816 HydrophobicContact CG-CE2 4.37Å; A744-F816 HydrophobicContact CB-CD2 3.89Å; A744-F816 HydrophobicContact CB-CE2 3.86Å; A744-F816 HydrophobicContact CB-CG 4.32Å; A744-F816 HydrophobicContact CB-CZ 4.26Å; T745-F816 VanDerWaalsContact OG1-CZ 3.3Å; T745-F816 WeakPolarHBondContact OG1-CZ 3.37Å; S748-F816 WeakPolarHBondContact OG-CD1 3.35Å; L812-F816 HydrophobicContact CD2-CD2 4.26Å; L812-F816 HydrophobicContact CG-CD2 4.3Å; L812-F816 WeakPolarHBondContact O-CD2 3.37Å; L812-F816 PolarHBondContact O-N 3.29Å; L812-F816 VanDerWaalsContact O-N 3.07Å; T813-F816 CarbonylContact O-C 3.6Å; F816-N818 PolarHBondContact O-N 3.44Å; F816-N818 VanDerWaalsContact O-N 3.16Å; F816-L819 HydrophobicContact CB-CB 3.79Å; F816-L819 HydrophobicContact CB-CD2 4.49Å; F816-L819 VanDerWaalsContact O-CB 3.3Å; F816-L819 WeakPolarHBondContact O-CB 3.38Å; F816-L819 PolarHBondContact O-N 2.88Å
817P91.5Very high90.3Very high101 Ų10164.5 Ų64.566%0.65633%0.33SS*.THydrogen-bonded Turntrans-64.5-23.7-17425.1-35.1000114H815H815-P817 WeakPolarHBondContact O-CD 3.4Å
818N92Very high90.5Very high99 Ų9968 Ų6853%0.52934%0.335SS..THydrogen-bonded Turntrans-83.4-13177.3-65.8-17.3000113.1F816 R820F816-N818 PolarHBondContact O-N 3.44Å; F816-N818 VanDerWaalsContact O-N 3.16Å; N818-R820 PolarHBondContact O-N 3.5Å
819L93.7Very high90.8Very high12 Ų1267.9 Ų67.96%0.06334%0.341CS..  trans-73120.8179.9-174.273.5000110.1A744 M747 P754 L756 L812 F816A744-L819 HydrophobicContact CB-CD2 4.4Å; M747-L819 HydrophobicContact CE-CD1 4.24Å; P754-L819 HydrophobicContact CB-CD1 3.9Å; P754-L819 HydrophobicContact CG-CD1 4.13Å; P754-L819 WeakPolarHBondContact O-CA 3.41Å; L756-L819 HydrophobicContact CB-CD1 4.41Å; L812-L819 HydrophobicContact CD2-CD2 3.17Å; F816-L819 HydrophobicContact CB-CB 3.79Å; F816-L819 HydrophobicContact CB-CD2 4.49Å; F816-L819 VanDerWaalsContact O-CB 3.3Å; F816-L819 WeakPolarHBondContact O-CB 3.38Å; F816-L819 PolarHBondContact O-N 2.88Å
820R94Very high91.1Very high159 Ų15967.5 Ų67.560%0.634%0.339SS*.EExtended strand (participates in β ladder)trans-99.6146.1174.6-54.2-57.8-175.6162.4-0.5109.9P754 V755 L756 N818P754-R820 PolarHBondContact O-N 3.3Å; V755-R820 CarbonylContact C-O 3.58Å; V755-R820 WeakPolarHBondContact CA-O 3.16Å; V755-R820 HydrophobicContact CG2-CB 4.26Å; L756-R820 PolarHBondContact N-O 2.82Å; N818-R820 PolarHBondContact O-N 3.5Å
821I93.7Very high91.2Very high41 Ų4164.1 Ų64.121%0.2132%0.318CS..EExtended strand (participates in β ladder)trans-112.4124.3176.3-58.8178.7000108.4L756 I758 L809 T813 W823L756-I821 HydrophobicContact CB-CG1 4.49Å; L756-I821 CarbonylContact O-C 3.37Å; L756-I821 WeakPolarHBondContact O-CA 3.38Å; I758-I821 HydrophobicContact CD1-CG2 3.58Å; I758-I821 HydrophobicContact CG1-CG2 4.19Å; L809-I821 HydrophobicContact CD1-CD1 4.07Å; L809-I821 HydrophobicContact CD2-CD1 4.42Å; L809-I821 HydrophobicContact CG-CD1 4.24Å; T813-I821 HydrophobicContact CG2-CD1 3.46Å; T813-I821 VanDerWaalsContact CG2-CD1 3.46Å; T813-I821 HydrophobicContact CG2-CG1 4.29Å; I821-W823 HydrophobicContact CG2-CD2 4.37Å; I821-W823 HydrophobicContact CG2-CZ2 3.91Å
822F94.3Very high91.3Very high58 Ų5863 Ų6325%0.25431%0.31SS..EExtended strand (participates in β ladder)trans-105.3143.6168.3-66-20.4000110.1V755 L756 L757 I758 L833 I837V755-F822 HydrophobicContact CB-CE2 4.41Å; V755-F822 HydrophobicContact CG1-CB 4.32Å; V755-F822 HydrophobicContact CG1-CD1 4.47Å; V755-F822 HydrophobicContact CG1-CD2 3.33Å; V755-F822 HydrophobicContact CG1-CE2 3.56Å; V755-F822 HydrophobicContact CG1-CG 3.8Å; V755-F822 HydrophobicContact CG1-CZ 4.27Å; V755-F822 HydrophobicContact CG2-CE2 3.96Å; V755-F822 HydrophobicContact CG2-CZ 4.18Å; L756-F822 PolarHBondContact O-N 3.39Å; L757-F822 HydrophobicContact CD1-CB 3.89Å; I758-F822 PolarHBondContact N-O 3.06Å; F822-L833 HydrophobicContact CB-CD2 4.2Å; F822-L833 HydrophobicContact CD2-CD2 4Å; F822-L833 HydrophobicContact CG-CD2 4.24Å; F822-I837 HydrophobicContact CD2-CD1 4.03Å; F822-I837 HydrophobicContact CE2-CD1 3.32Å; F822-I837 HydrophobicContact CZ-CD1 3.88Å
823W91.3Very high91.4Very high112 Ų11264.7 Ų64.742%0.42432%0.319SS..EExtended strand (participates in β ladder)trans-117.3128.1178.5-60.991.3000107.9I758 F760 F785 L787 L809 I821I758-W823 HydrophobicContact CB-CD2 4.38Å; I758-W823 HydrophobicContact CB-CE3 3.78Å; I758-W823 HydrophobicContact CB-CZ3 3.87Å; I758-W823 HydrophobicContact CD1-CE3 4.23Å; I758-W823 HydrophobicContact CD1-CH2 3.49Å; I758-W823 VanDerWaalsContact CD1-CH2 3.49Å; I758-W823 HydrophobicContact CD1-CZ2 3.81Å; I758-W823 HydrophobicContact CD1-CZ3 3.73Å; I758-W823 HydrophobicContact CG1-CZ3 4.41Å; I758-W823 HydrophobicContact CG2-CE3 3.77Å; I758-W823 HydrophobicContact CG2-CH2 4.36Å; I758-W823 HydrophobicContact CG2-CZ3 3.51Å; I758-W823 WeakPolarHBondContact O-CA 3.49Å; F760-W823 HydrophobicContact CD1-CE3 4.27Å; F760-W823 HydrophobicContact CE1-CB 4.04Å; F785-W823 HydrophobicContact CE1-CZ3 4.14Å; L787-W823 HydrophobicContact CD1-CH2 4.2Å; L809-W823 HydrophobicContact CD2-CH2 4.2Å; L809-W823 HydrophobicContact CD2-CZ2 4.25Å; I821-W823 HydrophobicContact CG2-CD2 4.37Å; I821-W823 HydrophobicContact CG2-CZ2 3.91Å
824S89.7Confident91.6Very high6 Ų662.4 Ų62.44%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-130.9137.8177.5-178.30000110.3I758 E759 F760 T826 T830I758-S824 PolarHBondContact O-N 3.33Å; E759-S824 WeakPolarHBondContact CA-O 3.32Å; F760-S824 WeakPolarHBondContact CD1-O 3.4Å; F760-S824 PolarHBondContact N-O 2.77Å; S824-T826 PolarHBondContact OG-O 3.32Å; S824-T830 VanDerWaalsContact CB-OG1 3.23Å; S824-T830 WeakPolarHBondContact CB-OG1 3.42Å; S824-T830 PolarHBondContact OG-N 2.98Å; S824-T830 PolarHBondContact OG-OG1 2.89Å
825M86.4Confident91.5Very high95 Ų9558 Ų5847%0.46829%0.287SS..SBendtrans-81.3-31.2-179.5-72.5178.851.700112.9F760 I762F760-M825 HydrophobicContact CE1-CG 3.99Å; F760-M825 HydrophobicContact CE2-CG 3.65Å; F760-M825 HydrophobicContact CZ-CB 4.38Å; F760-M825 HydrophobicContact CZ-CG 3.31Å; F760-M825 HydrophobicContact CZ-SD 4.43Å; F760-M825 CarbonylContact O-C 3.59Å; F760-M825 WeakPolarHBondContact O-CA 3.41Å; I762-M825 HydrophobicContact CD1-CE 3.19Å; I762-M825 HydrophobicContact CD1-SD 4.04Å; I762-M825 HydrophobicContact CG1-CE 3.88Å
826T84.8Confident91.5Very high53 Ų5359 Ų5933%0.32529%0.291SS..SBendtrans-147.8153.8-177.266.50000109.7S824 Y828 C829 T830S824-T826 PolarHBondContact OG-O 3.32Å; T826-Y828 PolarHBondContact O-N 3.5Å; T826-Y828 VanDerWaalsContact O-N 3.13Å; T826-C829 WeakPolarHBondContact O-CB 3.41Å; T826-C829 PolarHBondContact O-N 3.02Å; T826-C829 PolarHBondContact OG1-N 3.32Å; T826-C829 PolarHBondContact OG1-SG 3.31Å; T826-T830 PolarHBondContact O-N 3.41Å; T826-T830 PolarHBondContact O-OG1 2.96Å
827P87.5Confident91.4Very high24 Ų2459.1 Ų59.116%0.15629%0.293CS..Hα-helixtrans-55.6-28.8172.3-26.936.1000113.2L694 L697 T830 A831L694-P827 WeakPolarHBondContact CD1-O 3.46Å; L697-P827 HydrophobicContact CD1-CB 3.69Å; P827-T830 WeakPolarHBondContact O-CB 3.46Å; P827-T830 PolarHBondContact O-N 2.83Å; P827-A831 PolarHBondContact O-N 3.42Å
828Y88.4Confident91.4Very high115 Ų11554.5 Ų54.545%0.45126%0.263SS..Hα-helixtrans-63.1-47.1173.3-68.4-84.9000112.4L697 T826 T830 A831 E832L697-Y828 HydrophobicContact CD1-CD1 3.9Å; L697-Y828 HydrophobicContact CD1-CD2 4.15Å; L697-Y828 HydrophobicContact CD1-CE1 4.06Å; L697-Y828 HydrophobicContact CD1-CE2 4.27Å; L697-Y828 HydrophobicContact CD1-CG 3.95Å; L697-Y828 HydrophobicContact CD2-CD1 3.71Å; L697-Y828 HydrophobicContact CD2-CE1 3.27Å; L697-Y828 HydrophobicContact CG-CD1 4.41Å; L697-Y828 HydrophobicContact CG-CE1 4.3Å; T826-Y828 PolarHBondContact O-N 3.5Å; T826-Y828 VanDerWaalsContact O-N 3.13Å; Y828-T830 VanDerWaalsContact C-N 3.28Å; Y828-T830 PolarHBondContact O-N 3.41Å; Y828-A831 PolarHBondContact O-N 3.26Å; Y828-E832 PolarHBondContact O-N 2.69Å; Y828-E832 VanDerWaalsContact O-N 3.14Å
829C92Very high91.2Very high54 Ų5456.3 Ų56.337%0.36527%0.271SS..Hα-helixtrans-63.6-36.3174.2-62.50000111.2T826 E832 L833T826-C829 WeakPolarHBondContact O-CB 3.41Å; T826-C829 PolarHBondContact O-N 3.02Å; T826-C829 PolarHBondContact OG1-N 3.32Å; T826-C829 PolarHBondContact OG1-SG 3.31Å; C829-E832 PolarHBondContact O-N 3.13Å; C829-L833 WeakPolarHBondContact O-CB 3.33Å; C829-L833 PolarHBondContact O-N 3.22Å
830T93Very high90.8Very high0 Ų060.1 Ų60.10%031%0.313CS..Hα-helixtrans-61.2-45.1174.8-55.80000111.3L694 L757 E759 S824 T826 P827 Y828 E832 L833 F834L694-T830 HydrophobicContact CD1-CG2 3.77Å; L694-T830 HydrophobicContact CD2-CG2 3.59Å; L694-T830 HydrophobicContact CG-CG2 4.37Å; L757-T830 HydrophobicContact CD1-CG2 4.32Å; L757-T830 HydrophobicContact CD2-CG2 3.3Å; L757-T830 HydrophobicContact CG-CG2 4.43Å; E759-T830 PolarHBondContact OE1-OG1 3.28Å; S824-T830 VanDerWaalsContact CB-OG1 3.23Å; S824-T830 WeakPolarHBondContact CB-OG1 3.42Å; S824-T830 PolarHBondContact OG-N 2.98Å; S824-T830 PolarHBondContact OG-OG1 2.89Å; T826-T830 PolarHBondContact O-N 3.41Å; T826-T830 PolarHBondContact O-OG1 2.96Å; P827-T830 WeakPolarHBondContact O-CB 3.46Å; P827-T830 PolarHBondContact O-N 2.83Å; Y828-T830 VanDerWaalsContact C-N 3.28Å; Y828-T830 PolarHBondContact O-N 3.41Å; T830-E832 VanDerWaalsContact C-N 3.32Å; T830-E832 PolarHBondContact O-N 3.21Å; T830-L833 PolarHBondContact O-N 2.79Å; T830-F834 HydrophobicContact CG2-CD1 4.16Å; T830-F834 HydrophobicContact CG2-CE1 3.81Å; T830-F834 HydrophobicContact CG2-CE2 4.41Å; T830-F834 HydrophobicContact CG2-CZ 3.94Å; T830-F834 WeakPolarHBondContact O-CD1 3.49Å; T830-F834 PolarHBondContact O-N 2.8Å
831A92.3Very high90.5Very high0 Ų057.3 Ų57.30%030%0.303CS..Hα-helixtrans-63.7-38.4179.500000112.3L694 L697 L698 K701 P827 Y828 A835L694-A831 HydrophobicContact CD1-CB 4.08Å; L697-A831 HydrophobicContact CB-CB 3.94Å; L698-A831 HydrophobicContact CD2-CB 4.01Å; K701-A831 HydrophobicContact CG-CB 4.09Å; P827-A831 PolarHBondContact O-N 3.42Å; Y828-A831 PolarHBondContact O-N 3.26Å; A831-A835 PolarHBondContact O-N 2.8Å
832E92.4Very high90.2Very high97 Ų9759.1 Ų59.145%0.45332%0.317SS..Hα-helixtrans-65.4-47173-177.1164.2-14400112.1Y828 C829 T830 F834 A835 E836Y828-E832 PolarHBondContact O-N 2.69Å; Y828-E832 VanDerWaalsContact O-N 3.14Å; C829-E832 PolarHBondContact O-N 3.13Å; T830-E832 VanDerWaalsContact C-N 3.32Å; T830-E832 PolarHBondContact O-N 3.21Å; E832-F834 VanDerWaalsContact C-N 3.29Å; E832-F834 PolarHBondContact O-N 3.48Å; E832-A835 WeakPolarHBondContact O-CB 3.25Å; E832-A835 PolarHBondContact O-N 2.94Å; E832-A835 VanDerWaalsContact O-N 3.1Å; E832-E836 PolarHBondContact O-N 3.38Å
833L93.6Very high90Very high44 Ų4459.1 Ų59.123%0.2332%0.318CS..Hα-helixtrans-57.1-41.9175.7179.565.5000111.8F822 C829 T830 E836 I837F822-L833 HydrophobicContact CB-CD2 4.2Å; F822-L833 HydrophobicContact CD2-CD2 4Å; F822-L833 HydrophobicContact CG-CD2 4.24Å; C829-L833 WeakPolarHBondContact O-CB 3.33Å; C829-L833 PolarHBondContact O-N 3.22Å; T830-L833 PolarHBondContact O-N 2.79Å; L833-E836 PolarHBondContact O-N 3.37Å; L833-I837 HydrophobicContact CD1-CD1 3.81Å; L833-I837 HydrophobicContact CD1-CG1 4.16Å; L833-I837 HydrophobicContact CD2-CD1 4.37Å; L833-I837 HydrophobicContact CG-CD1 3.71Å; L833-I837 HydrophobicContact CG-CG1 4.4Å; L833-I837 WeakPolarHBondContact O-CB 3.49Å; L833-I837 WeakPolarHBondContact O-CG1 3.09Å; L833-I837 PolarHBondContact O-N 3.37Å
834F94.1Very high89.8Confident0 Ų054.1 Ų54.10%030%0.3CS..Hα-helixtrans-64.7-40.9177.6-78.815.5000111.6L694 L698 Y715 L717 V723 L757 T830 E832 K838L694-F834 HydrophobicContact CD2-CE2 4.19Å; L694-F834 HydrophobicContact CD2-CZ 4.49Å; L698-F834 HydrophobicContact CD1-CD2 4.06Å; L698-F834 HydrophobicContact CD1-CE2 4.43Å; L698-F834 HydrophobicContact CD2-CB 3.8Å; L698-F834 HydrophobicContact CD2-CD2 3.61Å; L698-F834 HydrophobicContact CD2-CG 4.11Å; L698-F834 HydrophobicContact CG-CD2 4.47Å; Y715-F834 AromaticContact CD1-CE2 3.96Å; Y715-F834 HydrophobicContact CD1-CE2 3.96Å; Y715-F834 HydrophobicContact CD2-CE2 4.25Å; Y715-F834 HydrophobicContact CD2-CZ 4.41Å; Y715-F834 AromaticContact CG-CE2 3.85Å; Y715-F834 HydrophobicContact CG-CE2 3.85Å; Y715-F834 HydrophobicContact CG-CZ 4.35Å; L717-F834 HydrophobicContact CD1-CD1 3.85Å; L717-F834 HydrophobicContact CD1-CD2 4.32Å; L717-F834 HydrophobicContact CD1-CE1 4.09Å; L717-F834 HydrophobicContact CD1-CG 3.98Å; L717-F834 HydrophobicContact CD1-CZ 4.43Å; L717-F834 HydrophobicContact CD2-CB 4.33Å; L717-F834 HydrophobicContact CD2-CD2 3.62Å; L717-F834 HydrophobicContact CD2-CE2 4.02Å; L717-F834 HydrophobicContact CD2-CG 3.95Å; V723-F834 HydrophobicContact CB-CZ 4.33Å; V723-F834 HydrophobicContact CG1-CE1 4.34Å; V723-F834 HydrophobicContact CG1-CZ 4.01Å; V723-F834 HydrophobicContact CG2-CE1 4.41Å; V723-F834 HydrophobicContact CG2-CZ 4.3Å; L757-F834 HydrophobicContact CD2-CE1 4.21Å; L757-F834 HydrophobicContact CD2-CZ 4.09Å; T830-F834 HydrophobicContact CG2-CD1 4.16Å; T830-F834 HydrophobicContact CG2-CE1 3.81Å; T830-F834 HydrophobicContact CG2-CE2 4.41Å; T830-F834 HydrophobicContact CG2-CZ 3.94Å; T830-F834 WeakPolarHBondContact O-CD1 3.49Å; T830-F834 PolarHBondContact O-N 2.8Å; E832-F834 VanDerWaalsContact C-N 3.29Å; E832-F834 PolarHBondContact O-N 3.48Å; F834-K838 WeakPolarHBondContact O-CB 3.42Å; F834-K838 WeakPolarHBondContact O-CG 3.1Å; F834-K838 PolarHBondContact O-N 3.24Å
835A91.4Very high89.3Confident31 Ų3156 Ų5626%0.25631%0.313SS..Hα-helixtrans-62.3-44.2176.200000111.7L703 A831 E832 K838L703-A835 HydrophobicContact CD1-CB 4.4Å; A831-A835 PolarHBondContact O-N 2.8Å; E832-A835 WeakPolarHBondContact O-CB 3.25Å; E832-A835 PolarHBondContact O-N 2.94Å; E832-A835 VanDerWaalsContact O-N 3.1Å; A835-K838 PolarHBondContact O-N 3.18Å
836E92Very high88.8Confident119 Ų11953 Ų5356%0.55630%0.303SS*.Hα-helixtrans-65.6-44.2177.7-69.8-174.2167.400112.7E832 L833 K838 L839E832-E836 PolarHBondContact O-N 3.38Å; L833-E836 PolarHBondContact O-N 3.37Å; E836-K838 PolarHBondContact O-N 3.42Å; E836-L839 WeakPolarHBondContact O-CB 3.29Å; E836-L839 WeakPolarHBondContact O-CG 3.49Å; E836-L839 PolarHBondContact O-N 3.07Å; E836-L839 VanDerWaalsContact O-N 3.12Å
837I91.9Very high88.1Confident22 Ų2259.5 Ų59.511%0.11333%0.33CS..Hα-helixtrans-62.4-31.3-179.6-74.4173.9000111.7L717 L721 F822 L833 L839 R841L717-I837 HydrophobicContact CD1-CG2 4.2Å; L721-I837 HydrophobicContact CD2-CG2 3.58Å; F822-I837 HydrophobicContact CD2-CD1 4.03Å; F822-I837 HydrophobicContact CE2-CD1 3.32Å; F822-I837 HydrophobicContact CZ-CD1 3.88Å; L833-I837 HydrophobicContact CD1-CD1 3.81Å; L833-I837 HydrophobicContact CD1-CG1 4.16Å; L833-I837 HydrophobicContact CD2-CD1 4.37Å; L833-I837 HydrophobicContact CG-CD1 3.71Å; L833-I837 HydrophobicContact CG-CG1 4.4Å; L833-I837 WeakPolarHBondContact O-CB 3.49Å; L833-I837 WeakPolarHBondContact O-CG1 3.09Å; L833-I837 PolarHBondContact O-N 3.37Å; I837-L839 VanDerWaalsContact C-N 3.3Å; I837-R841 WeakPolarHBondContact O-CD 3.47Å; I837-R841 PolarHBondContact O-NE 3.48Å
838K89.8Confident87Confident4 Ų466.7 Ų66.72%0.01736%0.359CS..Hα-helixtrans-74.1-18.6179.5-81.3-147.370.2-170.90113.8R682 V683 L717 F834 A835 E836 G840 R841 E843R682-K838 PolarHBondContact O-NZ 3.49Å; V683-K838 HydrophobicContact CG2-CD 3.89Å; L717-K838 HydrophobicContact CB-CG 4.39Å; L717-K838 WeakPolarHBondContact O-CE 3.3Å; F834-K838 WeakPolarHBondContact O-CB 3.42Å; F834-K838 WeakPolarHBondContact O-CG 3.1Å; F834-K838 PolarHBondContact O-N 3.24Å; A835-K838 PolarHBondContact O-N 3.18Å; E836-K838 PolarHBondContact O-N 3.42Å; K838-G840 PolarHBondContact O-N 2.9Å; K838-R841 PolarHBondContact O-N 3.26Å; K838-R841 VanDerWaalsContact O-N 3.14Å; K838-E843 IonicContact NZ-OE1 2.89Å; K838-E843 PolarHBondContact NZ-OE1 2.99Å; K838-E843 IonicContact NZ-OE2 2.74Å; K838-E843 PolarHBondContact NZ-OE2 3.04Å
839L88.4Confident86Confident136 Ų13662.4 Ų62.471%0.71234%0.344SS*.THydrogen-bonded Turntrans-57.5122.9179.1-65.7172.6000110.9E836 I837 R841E836-L839 WeakPolarHBondContact O-CB 3.29Å; E836-L839 WeakPolarHBondContact O-CG 3.49Å; E836-L839 PolarHBondContact O-N 3.07Å; E836-L839 VanDerWaalsContact O-N 3.12Å; I837-L839 VanDerWaalsContact C-N 3.3Å; L839-R841 VanDerWaalsContact C-N 3.31Å; L839-R841 PolarHBondContact O-N 3.09Å
840G84.8Confident84.5Confident92 Ų9261.5 Ų61.595%0.94834%0.337SS*.THydrogen-bonded Turntrans74.67.8178.200000116.1K838K838-G840 PolarHBondContact O-N 2.9Å
841R88.6Confident82.8Confident100 Ų10069.8 Ų69.838%0.37738%0.376SS..PPolyproline II helixtrans-100.7151.6179.3-64.5-168.1-172.5-177.96112.6A718 I837 K838 L839A718-R841 HydrophobicContact CB-CB 4.42Å; I837-R841 WeakPolarHBondContact O-CD 3.47Å; I837-R841 PolarHBondContact O-NE 3.48Å; K838-R841 PolarHBondContact O-N 3.26Å; K838-R841 VanDerWaalsContact O-N 3.14Å; L839-R841 VanDerWaalsContact C-N 3.31Å; L839-R841 PolarHBondContact O-N 3.09Å
842P88.6Confident80.8Confident79 Ų7974.7 Ų74.751%0.51340%0.402SS..PPolyproline II helixtrans-69.2146.9175.728.2-34.1000111.8P719P719-P842 VanDerWaalsContact CD-O 3.28Å; P719-P842 WeakPolarHBondContact CD-O 3.35Å
843E88.2Confident78.3Confident58 Ų5872.9 Ų72.927%0.27141%0.41SS..PPolyproline II helixtrans-70.5141.3179.1-65.7-61.4136.100112.3S681 R682 P719 K838S681-E843 WeakPolarHBondContact CA-OE1 3.29Å; S681-E843 PolarHBondContact OG-OE1 3.47Å; R682-E843 WeakPolarHBondContact CA-OE2 3.34Å; R682-E843 WeakPolarHBondContact CB-OE2 3.33Å; R682-E843 WeakPolarHBondContact CG-OE2 3.43Å; R682-E843 PolarHBondContact N-OE2 3.28Å; P719-E843 WeakPolarHBondContact CG-O 3.39Å; K838-E843 IonicContact NZ-OE1 2.89Å; K838-E843 PolarHBondContact NZ-OE1 2.99Å; K838-E843 IonicContact NZ-OE2 2.74Å; K838-E843 PolarHBondContact NZ-OE2 3.04Å
844P87.1Confident75.8Confident8 Ų878.1 Ų78.15%0.05244%0.438CS..PPolyproline II helixtrans-69.9143175.130.2-34000111.1I684 I716I684-P844 HydrophobicContact CD1-CB 3.91Å; I684-P844 HydrophobicContact CD1-CG 4.22Å; I684-P844 HydrophobicContact CG1-CB 4.33Å; I684-P844 HydrophobicContact CG1-CG 4.11Å; I716-P844 HydrophobicContact CG2-CB 4.01Å
845S80.4Confident73.4Confident44 Ų4486.2 Ų86.231%0.30848%0.475SS..  trans-113.3124.2176.563.10000111E847 K848S845-E847 VanDerWaalsContact C-N 3.26Å; S845-E847 PolarHBondContact O-N 3.35Å; S845-K848 PolarHBondContact O-N 3.19Å; S845-K848 WeakPolarHBondContact OG-CD 3.32Å; S845-K848 WeakPolarHBondContact OG-CG 3.35Å
846A75.7Confident71.2Confident32 Ų3291.8 Ų91.826%0.26450%0.5SS..G310 helixtrans-53.1-37.3179.600000114.4M708 K848 L849M708-A846 HydrophobicContact CE-CB 3.65Å; M708-A846 HydrophobicContact SD-CB 4.48Å; A846-K848 VanDerWaalsContact C-N 3.28Å; A846-K848 PolarHBondContact O-N 3.02Å; A846-L849 WeakPolarHBondContact O-CG 3.46Å; A846-L849 PolarHBondContact O-N 2.92Å
847E69.3Low69.2Low190 Ų19091.5 Ų91.589%0.88850%0.499SS*.G310 helixtrans-67.5-23.7-174.7-62.8175.8179.100114.3S845S845-E847 VanDerWaalsContact C-N 3.26Å; S845-E847 PolarHBondContact O-N 3.35Å
848K65.7Low67.3Low175 Ų17598.8 Ų98.876%0.76154%0.538SS*.G310 helixtrans-94.18.8-174.4-65.2-176.6-176.7173.10113.4S845 A846S845-K848 PolarHBondContact O-N 3.19Å; S845-K848 WeakPolarHBondContact OG-CD 3.32Å; S845-K848 WeakPolarHBondContact OG-CG 3.35Å; A846-K848 VanDerWaalsContact C-N 3.28Å; A846-K848 PolarHBondContact O-N 3.02Å
849L67.7Low65.7Low25 Ų25101.3 Ų101.313%0.13155%0.55CS..SBendtrans-81.2137.2-176.8-64.5176.1000110.9I684 M708 L710 I716 Y751 A846 Q851I684-L849 HydrophobicContact CD1-CD1 4Å; I684-L849 HydrophobicContact CG2-CD1 4.49Å; M708-L849 HydrophobicContact SD-CD1 3.53Å; M708-L849 VanDerWaalsContact SD-CD1 3.53Å; L710-L849 HydrophobicContact CD2-CD1 3.89Å; I716-L849 HydrophobicContact CD1-CD1 4.12Å; I716-L849 HydrophobicContact CD1-CD2 3.34Å; I716-L849 HydrophobicContact CD1-CG 4.38Å; Y751-L849 VanDerWaalsContact OH-CD2 3.3Å; Y751-L849 WeakPolarHBondContact OH-CD2 3.39Å; A846-L849 WeakPolarHBondContact O-CG 3.46Å; A846-L849 PolarHBondContact O-N 2.92Å; L849-Q851 PolarHBondContact O-N 2.91Å
850P60.4Low64.8Low35 Ų3597.2 Ų97.223%0.22753%0.528CS..  trans-65.7107177.226.3-32.7000110.1S711 I712 H750 D852S711-P850 PolarHBondContact OG-O 3.42Å; I712-P850 HydrophobicContact CD1-CG 4.2Å; H750-P850 HydrophobicContact CB-CG 4.15Å; H750-P850 WeakPolarHBondContact ND1-CB 3.49Å; P850-D852 PolarHBondContact O-N 2.88Å
851Q56.9Low64.2Low174 Ų17498.1 Ų98.181%0.81352%0.515SS*.  trans-87.282.2170.7-65.5-1765.900108.9L849 G853L849-Q851 PolarHBondContact O-N 2.91Å; Q851-G853 PolarHBondContact O-N 3.22Å
852D49.7Very low63.4Low104 Ų10499.2 Ų99.256%0.55653%0.525SS*.  trans-7485.3164.5-79.3-11.3000107.9P850 D854P850-D852 PolarHBondContact O-N 2.88Å; D852-D854 PolarHBondContact O-N 3.44Å
853G40.8Very low62.9Low59 Ų5996.9 Ų96.961%0.60851%0.512SS*.  trans-75.765.3174.200000111.4Q851 H855Q851-G853 PolarHBondContact O-N 3.22Å; G853-H855 PolarHBondContact O-N 2.88Å; G853-H855 VanDerWaalsContact O-N 3.16Å
854D40.6Very low62.5Low154 Ų15494.8 Ų94.882%0.82450%0.503SS*.  trans-76103.7166.1-103.4-10.3000108.4D852 L856D852-D854 PolarHBondContact O-N 3.44Å; D854-L856 VanDerWaalsContact C-N 3.33Å; D854-L856 PolarHBondContact O-N 3.44Å
855H43.2Very low62.1Low169 Ų16998.5 Ų98.578%0.78252%0.523SS*.  trans-53.591.3173.9-65-67.6000110.9G853 E857G853-H855 PolarHBondContact O-N 2.88Å; G853-H855 VanDerWaalsContact O-N 3.16Å; H855-E857 PolarHBondContact O-N 3.23Å
856L45.4Very low62.2Low149 Ų149101.5 Ų101.578%0.7853%0.533SS*.  trans-69.789.8153.3-78.1154.2000105.9D854D854-L856 VanDerWaalsContact C-N 3.33Å; D854-L856 PolarHBondContact O-N 3.44Å
857E49.4Very low62.7Low113 Ų113100.4 Ų100.453%0.52852%0.523SS..  trans-46.9150.9165.3-68.1176.4170.300109.5H855 H859H855-E857 PolarHBondContact O-N 3.23Å; E857-H859 PolarHBondContact O-N 3.43Å; E857-H859 IonicContact OE2-CD2 3.63Å; E857-H859 IonicContact OE2-CE1 2.72Å; E857-H859 IonicContact OE2-NE2 3.62Å; E857-H859 PolarHBondContact OE2-NE2 2.95Å
858D52.4Low63.5Low174 Ų17493 Ų9393%0.9349%0.489SS*.SBendtrans-61.840.2178.7-65-35.5000114
859H57.5Low64.6Low58 Ų5892.4 Ų92.427%0.26949%0.487SS..  trans-76.2144.4170.5-68.2-50.1000109.2E857 V861 V864 M882E857-H859 PolarHBondContact O-N 3.43Å; E857-H859 IonicContact OE2-CD2 3.63Å; E857-H859 IonicContact OE2-CE1 2.72Å; E857-H859 IonicContact OE2-NE2 3.62Å; E857-H859 PolarHBondContact OE2-NE2 2.95Å; H859-V861 PolarHBondContact O-N 3Å; H859-V864 HydrophobicContact CB-CG2 3.92Å; H859-M882 HydrophobicContact CB-CE 3.79Å; H859-M882 HydrophobicContact CB-SD 4.2Å
860N68Low65.6Low49 Ų4992.2 Ų92.226%0.26249%0.486SS..  trans-58.3103.7172.1-176.4-6.5000109.4E862 A863 V864N860-E862 PolarHBondContact O-N 3.05Å; N860-E862 PolarHBondContact OD1-N 3.16Å; N860-A863 HydrophobicContact CB-CB 3.97Å; N860-A863 PolarHBondContact O-N 3.33Å; N860-V864 WeakPolarHBondContact O-CG2 3.49Å; N860-V864 PolarHBondContact O-N 2.72Å
861V73Confident67Low111 Ų11193 Ų9367%0.67349%0.491SS*.Hα-helixtrans-55.9-37.3-173.8179.80000110.9H859 V864 D865H859-V861 PolarHBondContact O-N 3Å; V861-V864 PolarHBondContact O-N 2.85Å; V861-D865 WeakPolarHBondContact O-CB 3.45Å; V861-D865 PolarHBondContact O-N 2.89Å
862E72Confident68.4Low123 Ų12385.7 Ų85.758%0.57546%0.462SS*.Hα-helixtrans-68.6-42.2179.5-63.9169.7-168.500112N860 V864 D865 M866N860-E862 PolarHBondContact O-N 3.05Å; N860-E862 PolarHBondContact OD1-N 3.16Å; E862-V864 VanDerWaalsContact C-N 3.31Å; E862-V864 PolarHBondContact O-N 2.97Å; E862-D865 PolarHBondContact O-N 3.47Å; E862-M866 WeakPolarHBondContact O-CB 3.42Å; E862-M866 PolarHBondContact O-N 2.9Å
863A77.5Confident70.3Confident30 Ų3081.5 Ų81.525%0.24844%0.439CS..Hα-helixtrans-65-39.9176.600000110.8N860 L867N860-A863 HydrophobicContact CB-CB 3.97Å; N860-A863 PolarHBondContact O-N 3.33Å; A863-L867 WeakPolarHBondContact O-CB 3.33Å; A863-L867 VanDerWaalsContact O-CG 3.24Å; A863-L867 WeakPolarHBondContact O-CG 3.45Å; A863-L867 PolarHBondContact O-N 2.8Å
864V80.7Confident72.3Confident14 Ų1481.1 Ų81.19%0.08543%0.427CS..Hα-helixtrans-65.9-45.9176.5176.20000110.9H859 N860 V861 E862 M866 L867 L868 Y878 M882H859-V864 HydrophobicContact CB-CG2 3.92Å; N860-V864 WeakPolarHBondContact O-CG2 3.49Å; N860-V864 PolarHBondContact O-N 2.72Å; V861-V864 PolarHBondContact O-N 2.85Å; E862-V864 VanDerWaalsContact C-N 3.31Å; E862-V864 PolarHBondContact O-N 2.97Å; V864-M866 PolarHBondContact O-N 2.81Å; V864-L867 PolarHBondContact O-N 2.97Å; V864-L868 HydrophobicContact CG1-CD1 3.8Å; V864-L868 HydrophobicContact CG1-CG 4.31Å; V864-L868 WeakPolarHBondContact O-CB 3.42Å; V864-L868 VanDerWaalsContact O-CG 3.25Å; V864-L868 WeakPolarHBondContact O-CG 3.26Å; V864-L868 PolarHBondContact O-N 2.94Å; V864-Y878 HydrophobicContact CG1-CD2 3.99Å; V864-Y878 HydrophobicContact CG1-CE2 3.76Å; V864-Y878 HydrophobicContact CG2-CD2 4.44Å; V864-Y878 HydrophobicContact CG2-CE2 4.1Å; V864-M882 HydrophobicContact CG2-CE 4.05Å; V864-M882 HydrophobicContact CG2-SD 3.95Å
865D77.7Confident74.4Confident87 Ų8781.6 Ų81.647%0.46542%0.418SS..Hα-helixtrans-62-45.2177.4-17032.2000111.1V861 E862 L867 L868 K869V861-D865 WeakPolarHBondContact O-CB 3.45Å; V861-D865 PolarHBondContact O-N 2.89Å; E862-D865 PolarHBondContact O-N 3.47Å; D865-L867 VanDerWaalsContact C-N 3.35Å; D865-L867 PolarHBondContact O-N 2.88Å; D865-L868 PolarHBondContact O-N 2.97Å; D865-L868 VanDerWaalsContact O-N 3.15Å; D865-K869 WeakPolarHBondContact O-CG 3.38Å; D865-K869 PolarHBondContact O-N 2.81Å; D865-K869 VanDerWaalsContact O-N 3.12Å; D865-K869 WeakPolarHBondContact OD1-CE 3.49Å
866M83.2Confident76.4Confident106 Ų10682.6 Ų82.652%0.52242%0.42SS..Hα-helixtrans-58.4-45.1176-176175.1177.600112.1E862 V864 K869 L888E862-M866 WeakPolarHBondContact O-CB 3.42Å; E862-M866 PolarHBondContact O-N 2.9Å; V864-M866 PolarHBondContact O-N 2.81Å; M866-K869 PolarHBondContact O-N 2.82Å; M866-L888 HydrophobicContact CE-CD1 3.7Å; M866-L888 HydrophobicContact SD-CD1 3.41Å; M866-L888 WeakPolarHBondContact SD-CD1 3.47Å
867L86.7Confident78.4Confident10 Ų1076.1 Ų76.15%0.05239%0.386CS..Hα-helixtrans-62.2-43.4176.2-74.3172.3000111.3A863 V864 D865 K869 L870 I873 I881 L888 L891A863-L867 WeakPolarHBondContact O-CB 3.33Å; A863-L867 VanDerWaalsContact O-CG 3.24Å; A863-L867 WeakPolarHBondContact O-CG 3.45Å; A863-L867 PolarHBondContact O-N 2.8Å; V864-L867 PolarHBondContact O-N 2.97Å; D865-L867 VanDerWaalsContact C-N 3.35Å; D865-L867 PolarHBondContact O-N 2.88Å; L867-K869 PolarHBondContact O-N 2.98Å; L867-L870 HydrophobicContact CD2-CD1 4.1Å; L867-L870 WeakPolarHBondContact O-CB 3.48Å; L867-L870 PolarHBondContact O-N 2.98Å; L867-I873 HydrophobicContact CB-CD1 4.16Å; L867-I873 HydrophobicContact CD2-CD1 3.86Å; L867-I873 VanDerWaalsContact O-CB 3.26Å; L867-I873 WeakPolarHBondContact O-CB 2.94Å; L867-I873 WeakPolarHBondContact O-CD1 3.46Å; L867-I873 WeakPolarHBondContact O-CG2 3.42Å; L867-I881 HydrophobicContact CD2-CG2 4.42Å; L867-L888 HydrophobicContact CD2-CD2 3.71Å; L867-L888 HydrophobicContact CG-CD2 4.42Å; L867-L891 HydrophobicContact CD2-CD2 3.98Å
868L85.8Confident80.2Confident35 Ų3571.3 Ų71.318%0.18336%0.363CS..Hα-helixtrans-65.6-19.3179.9-71.8169.4000113.5V864 D865 W875 Y878V864-L868 HydrophobicContact CG1-CD1 3.8Å; V864-L868 HydrophobicContact CG1-CG 4.31Å; V864-L868 WeakPolarHBondContact O-CB 3.42Å; V864-L868 VanDerWaalsContact O-CG 3.25Å; V864-L868 WeakPolarHBondContact O-CG 3.26Å; V864-L868 PolarHBondContact O-N 2.94Å; D865-L868 PolarHBondContact O-N 2.97Å; D865-L868 VanDerWaalsContact O-N 3.15Å; L868-W875 HydrophobicContact CD1-CD2 3.94Å; L868-W875 VanDerWaalsContact CD1-CE2 3.48Å; L868-W875 HydrophobicContact CD1-CE3 4.17Å; L868-W875 HydrophobicContact CD1-CH2 3.61Å; L868-W875 HydrophobicContact CD1-CZ2 3.32Å; L868-W875 HydrophobicContact CD1-CZ3 4.02Å; L868-W875 HydrophobicContact CD2-CD2 4.01Å; L868-W875 HydrophobicContact CD2-CG 4.06Å; L868-Y878 HydrophobicContact CD2-CD1 4.39Å; L868-Y878 HydrophobicContact CD2-CG 4.46Å
869K87.1Confident81.9Confident162 Ų16269.7 Ų69.770%0.70434%0.344SS*.Hα-helixtrans-82.2-15.4171.9-60.5-60.5174.9-1770113.7D865 M866 L867D865-K869 WeakPolarHBondContact O-CG 3.38Å; D865-K869 PolarHBondContact O-N 2.81Å; D865-K869 VanDerWaalsContact O-N 3.12Å; D865-K869 WeakPolarHBondContact OD1-CE 3.49Å; M866-K869 PolarHBondContact O-N 2.82Å; L867-K869 PolarHBondContact O-N 2.98Å
870L89.7Confident83.3Confident21 Ų2171.9 Ų71.911%0.1135%0.349CS..SBendtrans-74136.2179.6-63.8178.2000111L867 G872 I873 L891 L912 F915L867-L870 HydrophobicContact CD2-CD1 4.1Å; L867-L870 WeakPolarHBondContact O-CB 3.48Å; L867-L870 PolarHBondContact O-N 2.98Å; L870-G872 PolarHBondContact O-N 3.19Å; L870-I873 HydrophobicContact CB-CD1 3.87Å; L870-I873 HydrophobicContact CB-CG1 4.09Å; L870-I873 HydrophobicContact CD1-CD1 3.95Å; L870-I873 HydrophobicContact CG-CD1 4.44Å; L870-I873 PolarHBondContact O-N 2.93Å; L870-I873 VanDerWaalsContact O-N 3.16Å; L870-L891 HydrophobicContact CD1-CD2 4.18Å; L870-L912 HydrophobicContact CB-CD1 4.38Å; L870-L912 HydrophobicContact CD1-CD1 4.46Å; L870-F915 HydrophobicContact CD2-CD1 4.12Å; L870-F915 HydrophobicContact CD2-CE1 3.61Å
871P89.7Confident84.3Confident51 Ų5169.7 Ų69.733%0.33134%0.338SS..THydrogen-bonded Turntrans-62.6131.5179.626-33.1000110.8F915P871-F915 HydrophobicContact CG-CB 3.51Å; P871-F915 HydrophobicContact CG-CD1 3.98Å; P871-F915 HydrophobicContact CG-CD2 3.81Å; P871-F915 HydrophobicContact CG-CG 3.48Å; P871-F915 VanDerWaalsContact CG-CG 3.48Å
872G86.7Confident84.9Confident20 Ų2066.6 Ų66.621%0.20632%0.317CS..THydrogen-bonded Turntrans94.2-13.1-178.100000114.6L870 N877 S908L870-G872 PolarHBondContact O-N 3.19Å; G872-N877 PolarHBondContact O-ND2 3.07Å; G872-S908 WeakPolarHBondContact O-CB 3.48Å; G872-S908 PolarHBondContact O-OG 3.29Å
873I89Confident85.6Confident17 Ų1764.1 Ų64.19%0.08731%0.313CS..  trans-89.9139.4173.3-54.8-168.1000109.9L867 L870 N877 I881 L912L867-I873 HydrophobicContact CB-CD1 4.16Å; L867-I873 HydrophobicContact CD2-CD1 3.86Å; L867-I873 VanDerWaalsContact O-CB 3.26Å; L867-I873 WeakPolarHBondContact O-CB 2.94Å; L867-I873 WeakPolarHBondContact O-CD1 3.46Å; L867-I873 WeakPolarHBondContact O-CG2 3.42Å; L870-I873 HydrophobicContact CB-CD1 3.87Å; L870-I873 HydrophobicContact CB-CG1 4.09Å; L870-I873 HydrophobicContact CD1-CD1 3.95Å; L870-I873 HydrophobicContact CG-CD1 4.44Å; L870-I873 PolarHBondContact O-N 2.93Å; L870-I873 VanDerWaalsContact O-N 3.16Å; I873-N877 WeakPolarHBondContact CA-OD1 2.9Å; I873-I881 HydrophobicContact CD1-CD1 3.48Å; I873-I881 VanDerWaalsContact CD1-CD1 3.48Å; I873-I881 HydrophobicContact CG1-CD1 3.88Å; I873-L912 HydrophobicContact CD1-CD1 3.59Å; I873-L912 HydrophobicContact CG1-CD1 3.55Å
874S83.9Confident86Confident50 Ų5067.8 Ų67.835%0.3533%0.325SS..  trans-139.3164.9179.368.40000109.9K876 N877 Y878S874-K876 PolarHBondContact O-N 3.23Å; S874-K876 PolarHBondContact OG-N 2.86Å; S874-N877 PolarHBondContact N-OD1 3.5Å; S874-N877 PolarHBondContact O-N 2.82Å; S874-N877 VanDerWaalsContact O-N 3.11Å; S874-N877 PolarHBondContact O-OD1 3.41Å; S874-N877 PolarHBondContact OG-OD1 3.42Å; S874-Y878 PolarHBondContact O-N 2.88Å
875W83.5Confident86.2Confident165 Ų16568.1 Ų68.163%0.62533%0.327SS*.THydrogen-bonded Turntrans-55.8-20.3174-76.2101.3000114.1L868 Y878L868-W875 HydrophobicContact CD1-CD2 3.94Å; L868-W875 VanDerWaalsContact CD1-CE2 3.48Å; L868-W875 HydrophobicContact CD1-CE3 4.17Å; L868-W875 HydrophobicContact CD1-CH2 3.61Å; L868-W875 HydrophobicContact CD1-CZ2 3.32Å; L868-W875 HydrophobicContact CD1-CZ3 4.02Å; L868-W875 HydrophobicContact CD2-CD2 4.01Å; L868-W875 HydrophobicContact CD2-CG 4.06Å; W875-Y878 HydrophobicContact CE3-CD1 4.42Å; W875-Y878 AromaticContact CE3-CE1 3.75Å; W875-Y878 HydrophobicContact CE3-CE1 3.75Å; W875-Y878 HydrophobicContact CZ3-CE1 4.33Å; W875-Y878 WeakPolarHBondContact O-CD1 3.46Å; W875-Y878 WeakPolarHBondContact O-CE1 3.19Å
876K84.9Confident86.6Confident190 Ų19069.1 Ų69.183%0.82634%0.341SS*.THydrogen-bonded Turntrans-84-32.8178.3-64.3-174.5179.9-177.90113.6S874S874-K876 PolarHBondContact O-N 3.23Å; S874-K876 PolarHBondContact OG-N 2.86Å
877N88.2Confident86.7Confident13 Ų1366.1 Ų66.17%0.0733%0.33CS..THydrogen-bonded Turntrans-107.1-18.9-170.967.67.5000113.9G872 I873 S874 R879 R880 I881 L903G872-N877 PolarHBondContact O-ND2 3.07Å; I873-N877 WeakPolarHBondContact CA-OD1 2.9Å; S874-N877 PolarHBondContact N-OD1 3.5Å; S874-N877 PolarHBondContact O-N 2.82Å; S874-N877 VanDerWaalsContact O-N 3.11Å; S874-N877 PolarHBondContact O-OD1 3.41Å; S874-N877 PolarHBondContact OG-OD1 3.42Å; N877-R879 VanDerWaalsContact C-N 3.25Å; N877-R879 PolarHBondContact O-N 2.65Å; N877-R880 WeakPolarHBondContact O-CB 3.38Å; N877-R880 PolarHBondContact O-N 3.12Å; N877-I881 PolarHBondContact O-N 3.28Å; N877-L903 HydrophobicContact CB-CD2 3.81Å
878Y87.2Confident86.6Confident12 Ų1268.9 Ų68.95%0.04734%0.344CS..Hα-helixtrans-58.3-36.5-176.584.5-81.3000112.9V864 L868 S874 W875 R880 I881 M882V864-Y878 HydrophobicContact CG1-CD2 3.99Å; V864-Y878 HydrophobicContact CG1-CE2 3.76Å; V864-Y878 HydrophobicContact CG2-CD2 4.44Å; V864-Y878 HydrophobicContact CG2-CE2 4.1Å; L868-Y878 HydrophobicContact CD2-CD1 4.39Å; L868-Y878 HydrophobicContact CD2-CG 4.46Å; S874-Y878 PolarHBondContact O-N 2.88Å; W875-Y878 HydrophobicContact CE3-CD1 4.42Å; W875-Y878 AromaticContact CE3-CE1 3.75Å; W875-Y878 HydrophobicContact CE3-CE1 3.75Å; W875-Y878 HydrophobicContact CZ3-CE1 4.33Å; W875-Y878 WeakPolarHBondContact O-CD1 3.46Å; W875-Y878 WeakPolarHBondContact O-CE1 3.19Å; Y878-R880 PolarHBondContact O-N 3.3Å; Y878-I881 PolarHBondContact O-N 3.47Å; Y878-I881 VanDerWaalsContact O-N 3.12Å; Y878-M882 PolarHBondContact O-N 3.15Å
879R87Confident86.7Confident140 Ų14074.1 Ų74.153%0.52836%0.363SS..Hα-helixtrans-60.1-30.4177-63-173.1-176.4166.8-2.4112.6N877 S883N877-R879 VanDerWaalsContact C-N 3.25Å; N877-R879 PolarHBondContact O-N 2.65Å; R879-S883 WeakPolarHBondContact O-CB 3.48Å; R879-S883 PolarHBondContact O-N 2.95Å; R879-S883 PolarHBondContact O-OG 2.84Å
880R87.8Confident86.7Confident103 Ų10369.4 Ų69.439%0.38935%0.345SS..Hα-helixtrans-71.5-42.4176.8-59.1179.9-179.6-174.7-13.8111N877 Y878 M882 S883 H884 I902 L903 D904N877-R880 WeakPolarHBondContact O-CB 3.38Å; N877-R880 PolarHBondContact O-N 3.12Å; Y878-R880 PolarHBondContact O-N 3.3Å; R880-M882 VanDerWaalsContact C-N 3.35Å; R880-S883 WeakPolarHBondContact CA-OG 3.07Å; R880-S883 PolarHBondContact O-N 2.68Å; R880-S883 PolarHBondContact O-OG 3.12Å; R880-H884 PolarHBondContact O-N 3.02Å; R880-H884 PolarHBondContact O-ND1 3.02Å; R880-I902 HydrophobicContact CB-CG2 4.28Å; R880-I902 WeakPolarHBondContact CB-O 3.34Å; R880-I902 WeakPolarHBondContact CD-O 3.46Å; R880-L903 PolarHBondContact NH1-O 2.88Å; R880-D904 IonicContact CZ-OD2 2.73Å; R880-D904 VanDerWaalsContact CZ-OD2 3.28Å; R880-D904 VanDerWaalsContact NH1-CG 3.32Å; R880-D904 IonicContact NH1-OD2 3.23Å; R880-D904 PolarHBondContact NH1-OD2 3.2Å; R880-D904 IonicContact NH2-OD2 3.99Å
881I88.7Confident86.6Confident4 Ų468.6 Ų68.62%0.02134%0.341CS..Hα-helixtrans-60.9-48.4173.1-67.3172.2000110L867 I873 N877 Y878 S883 H884 V885 L891 I902 L903L867-I881 HydrophobicContact CD2-CG2 4.42Å; I873-I881 HydrophobicContact CD1-CD1 3.48Å; I873-I881 VanDerWaalsContact CD1-CD1 3.48Å; I873-I881 HydrophobicContact CG1-CD1 3.88Å; N877-I881 PolarHBondContact O-N 3.28Å; Y878-I881 PolarHBondContact O-N 3.47Å; Y878-I881 VanDerWaalsContact O-N 3.12Å; I881-S883 PolarHBondContact O-N 3.44Å; I881-H884 PolarHBondContact O-N 2.51Å; I881-H884 VanDerWaalsContact O-N 3.12Å; I881-V885 HydrophobicContact CG2-CB 4.37Å; I881-V885 HydrophobicContact CG2-CG2 4.23Å; I881-V885 WeakPolarHBondContact O-CB 3.48Å; I881-V885 PolarHBondContact O-N 3.16Å; I881-L891 HydrophobicContact CG2-CD1 3.88Å; I881-I902 HydrophobicContact CG1-CG2 3.94Å; I881-L903 HydrophobicContact CD1-CD2 3.73Å; I881-L903 HydrophobicContact CD1-CG 4.42Å; I881-L903 HydrophobicContact CG1-CD2 3.97Å
882M86.1Confident86.6Confident46 Ų4668.8 Ų68.823%0.22734%0.341CS..Hα-helixtrans-66.8-23.2-175.8-155.9171.3-168.700113.7H859 V864 Y878 R880H859-M882 HydrophobicContact CB-CE 3.79Å; H859-M882 HydrophobicContact CB-SD 4.2Å; V864-M882 HydrophobicContact CG2-CE 4.05Å; V864-M882 HydrophobicContact CG2-SD 3.95Å; Y878-M882 PolarHBondContact O-N 3.15Å; R880-M882 VanDerWaalsContact C-N 3.35Å
883S85.8Confident86.7Confident71 Ų7171.6 Ų71.650%0.49735%0.352SS..Hα-helixtrans-83.5-27.2174.6470000113.5R879 R880 I881R879-S883 WeakPolarHBondContact O-CB 3.48Å; R879-S883 PolarHBondContact O-N 2.95Å; R879-S883 PolarHBondContact O-OG 2.84Å; R880-S883 WeakPolarHBondContact CA-OG 3.07Å; R880-S883 PolarHBondContact O-N 2.68Å; R880-S883 PolarHBondContact O-OG 3.12Å; I881-S883 PolarHBondContact O-N 3.44Å
884H86.7Confident86.6Confident106 Ų10671.9 Ų71.949%0.49136%0.355SS..Hα-helixtrans-98-24.1-177.5-7081.6000113.6R880 I881 I902R880-H884 PolarHBondContact O-N 3.02Å; R880-H884 PolarHBondContact O-ND1 3.02Å; I881-H884 PolarHBondContact O-N 2.51Å; I881-H884 VanDerWaalsContact O-N 3.12Å; H884-I902 HydrophobicContact CB-CD1 3.87Å; H884-I902 HydrophobicContact CB-CG1 3.97Å; H884-I902 HydrophobicContact CB-CG2 4.26Å
885V85.8Confident86.8Confident21 Ų2172.6 Ų72.613%0.12736%0.359CS..  trans-121.6126.5-172.5-169.90000109.6I881 S887 D890 L891 I902I881-V885 HydrophobicContact CG2-CB 4.37Å; I881-V885 HydrophobicContact CG2-CG2 4.23Å; I881-V885 WeakPolarHBondContact O-CB 3.48Å; I881-V885 PolarHBondContact O-N 3.16Å; V885-S887 WeakPolarHBondContact CG1-O 3.26Å; V885-D890 HydrophobicContact CG1-CB 3.74Å; V885-L891 HydrophobicContact CG1-CB 4.11Å; V885-L891 HydrophobicContact CG2-CD1 4.33Å; V885-I902 HydrophobicContact CG2-CD1 4.19Å
886S84.3Confident87.2Confident109 Ų10967.8 Ų67.876%0.76235%0.346SS*.SBendtrans-84.3-32.1179.151.20000112.9D890S886-D890 PolarHBondContact OG-OD2 3.32Å
887S85.1Confident87.4Confident42 Ų4265.5 Ų65.529%0.29434%0.338SS..  trans-136.3152.3-177.279.40000113.2V885 Y889 D890 L891V885-S887 WeakPolarHBondContact CG1-O 3.26Å; S887-Y889 PolarHBondContact O-N 2.9Å; S887-Y889 PolarHBondContact OG-N 2.89Å; S887-D890 PolarHBondContact O-N 3.12Å; S887-D890 VanDerWaalsContact O-N 3.08Å; S887-D890 PolarHBondContact OG-N 3.24Å; S887-D890 VanDerWaalsContact OG-N 3.11Å; S887-D890 PolarHBondContact OG-OD2 2.92Å; S887-L891 PolarHBondContact O-N 3.43Å; S887-L891 VanDerWaalsContact O-N 3.13Å
888L86.1Confident87.4Confident68 Ų6869.9 Ų69.936%0.35635%0.353SS..Hα-helixtrans-61.1-27.7171.8-70.6170.4000112.2M866 L867 D890 L891 V892M866-L888 HydrophobicContact CE-CD1 3.7Å; M866-L888 HydrophobicContact SD-CD1 3.41Å; M866-L888 WeakPolarHBondContact SD-CD1 3.47Å; L867-L888 HydrophobicContact CD2-CD2 3.71Å; L867-L888 HydrophobicContact CG-CD2 4.42Å; L888-D890 VanDerWaalsContact C-N 3.32Å; L888-L891 HydrophobicContact CD2-CD2 4.15Å; L888-L891 WeakPolarHBondContact O-CB 3.33Å; L888-L891 PolarHBondContact O-N 3.29Å; L888-V892 WeakPolarHBondContact O-CG2 3.4Å; L888-V892 PolarHBondContact O-N 2.84Å
889Y87.1Confident87.5Confident145 Ų14569.3 Ų69.357%0.56935%0.351SS*.Hα-helixtrans-63.2-41.1174.1-178.1-101.8000111.6S887 L891 V892 N893S887-Y889 PolarHBondContact O-N 2.9Å; S887-Y889 PolarHBondContact OG-N 2.89Å; Y889-L891 VanDerWaalsContact C-N 3.33Å; Y889-V892 PolarHBondContact O-N 3.03Å; Y889-N893 WeakPolarHBondContact CD1-ND2 3.34Å; Y889-N893 WeakPolarHBondContact CE1-ND2 3.2Å; Y889-N893 PolarHBondContact O-N 3.37Å; Y889-N893 VanDerWaalsContact O-N 3.15Å; Y889-N893 PolarHBondContact O-ND2 3.15Å; Y889-N893 VanDerWaalsContact O-ND2 3.11Å
890D87Confident87.7Confident64 Ų6465 Ų6534%0.34234%0.34SS..Hα-helixtrans-68.4-36.2176.5-58.7-36.3000110.9V885 S886 S887 L888 V892 N893 C894V885-D890 HydrophobicContact CG1-CB 3.74Å; S886-D890 PolarHBondContact OG-OD2 3.32Å; S887-D890 PolarHBondContact O-N 3.12Å; S887-D890 VanDerWaalsContact O-N 3.08Å; S887-D890 PolarHBondContact OG-N 3.24Å; S887-D890 VanDerWaalsContact OG-N 3.11Å; S887-D890 PolarHBondContact OG-OD2 2.92Å; L888-D890 VanDerWaalsContact C-N 3.32Å; D890-V892 VanDerWaalsContact C-N 3.32Å; D890-V892 PolarHBondContact O-N 2.97Å; D890-N893 PolarHBondContact O-N 3.04Å; D890-C894 PolarHBondContact O-N 2.81Å; D890-C894 VanDerWaalsContact O-N 3.07Å; D890-C894 PolarHBondContact O-SG 3.29Å
891L88.9Confident87.8Confident4 Ų465.6 Ų65.62%0.02135%0.347CS..Hα-helixtrans-59-42.4173-171.567.1000111.9L867 L870 I881 V885 S887 L888 Y889 N893 C894 L899 L912 L916L867-L891 HydrophobicContact CD2-CD2 3.98Å; L870-L891 HydrophobicContact CD1-CD2 4.18Å; I881-L891 HydrophobicContact CG2-CD1 3.88Å; V885-L891 HydrophobicContact CG1-CB 4.11Å; V885-L891 HydrophobicContact CG2-CD1 4.33Å; S887-L891 PolarHBondContact O-N 3.43Å; S887-L891 VanDerWaalsContact O-N 3.13Å; L888-L891 HydrophobicContact CD2-CD2 4.15Å; L888-L891 WeakPolarHBondContact O-CB 3.33Å; L888-L891 PolarHBondContact O-N 3.29Å; Y889-L891 VanDerWaalsContact C-N 3.33Å; L891-N893 VanDerWaalsContact C-N 3.32Å; L891-N893 PolarHBondContact O-N 2.95Å; L891-C894 WeakPolarHBondContact O-CB 3.46Å; L891-C894 PolarHBondContact O-N 3.17Å; L891-L899 HydrophobicContact CD1-CD2 3.78Å; L891-L912 HydrophobicContact CD1-CD2 4.45Å; L891-L916 HydrophobicContact CG-CD1 4.46Å
892V88.9Confident87.7Confident55 Ų5565.7 Ų65.733%0.33335%0.348SS..Hα-helixtrans-69.7-27.6178.4174.10000112.4L888 Y889 D890 L916 H917L888-V892 WeakPolarHBondContact O-CG2 3.4Å; L888-V892 PolarHBondContact O-N 2.84Å; Y889-V892 PolarHBondContact O-N 3.03Å; D890-V892 VanDerWaalsContact C-N 3.32Å; D890-V892 PolarHBondContact O-N 2.97Å; V892-L916 HydrophobicContact CG2-CD1 4.42Å; V892-L916 HydrophobicContact CG2-CD2 4.24Å; V892-H917 PolarHBondContact O-CE1 2.83Å; V892-H917 PolarHBondContact O-NE2 3.14Å
893N89Confident87.8Confident79 Ų7963.8 Ų63.842%0.42234%0.339SS..Hα-helixtrans-88.7-7.3177-68.1-49.8000113.4Y889 D890 L891 S895Y889-N893 WeakPolarHBondContact CD1-ND2 3.34Å; Y889-N893 WeakPolarHBondContact CE1-ND2 3.2Å; Y889-N893 PolarHBondContact O-N 3.37Å; Y889-N893 VanDerWaalsContact O-N 3.15Å; Y889-N893 PolarHBondContact O-ND2 3.15Å; Y889-N893 VanDerWaalsContact O-ND2 3.11Å; D890-N893 PolarHBondContact O-N 3.04Å; L891-N893 VanDerWaalsContact C-N 3.32Å; L891-N893 PolarHBondContact O-N 2.95Å; N893-S895 PolarHBondContact O-N 2.78Å
894C86.1Confident87.7Confident23 Ų2365.9 Ų65.916%0.15534%0.344CS..  trans-65.6133.2178.9-77.20000111.2D890 L891 L899D890-C894 PolarHBondContact O-N 2.81Å; D890-C894 VanDerWaalsContact O-N 3.07Å; D890-C894 PolarHBondContact O-SG 3.29Å; L891-C894 WeakPolarHBondContact O-CB 3.46Å; L891-C894 PolarHBondContact O-N 3.17Å; C894-L899 HydrophobicContact CB-CD2 3.95Å; C894-L899 HydrophobicContact CB-CG 3.93Å
895S89Confident87.8Confident64 Ų6464.1 Ų64.145%0.44834%0.338SS..  trans-65.3156.9171.164.10000110.8N893 E897 R898 L899N893-S895 PolarHBondContact O-N 2.78Å; S895-E897 PolarHBondContact O-N 3.3Å; S895-R898 PolarHBondContact O-N 3.18Å; S895-R898 VanDerWaalsContact O-N 3.12Å; S895-R898 PolarHBondContact OG-N 3.03Å; S895-L899 PolarHBondContact O-N 3.45Å
896I90.6Very high87.9Confident65 Ų6566.6 Ų66.633%0.33336%0.357SS..Hα-helixtrans-57.4-36.9176.7-164.1163.5000112L899 T900 V910 H913I896-L899 PolarHBondContact O-N 3.2Å; I896-T900 WeakPolarHBondContact O-CG2 3.33Å; I896-T900 PolarHBondContact O-N 3.46Å; I896-T900 PolarHBondContact O-OG1 3.14Å; I896-V910 HydrophobicContact CD1-CG2 3.94Å; I896-H913 HydrophobicContact CD1-CB 4.32Å; I896-H913 HydrophobicContact CG1-CB 4.31Å
897E89.5Confident88.2Confident141 Ų14167.4 Ų67.466%0.65935%0.348SS*.Hα-helixtrans-61.3-47.3176.1-65.6169.2-174.300111.1S895 L899 T900 E901S895-E897 PolarHBondContact O-N 3.3Å; E897-L899 VanDerWaalsContact C-N 3.3Å; E897-L899 PolarHBondContact O-N 2.92Å; E897-T900 VanDerWaalsContact C-OG1 3.32Å; E897-T900 WeakPolarHBondContact CA-OG1 3.28Å; E897-T900 PolarHBondContact O-N 3.03Å; E897-T900 VanDerWaalsContact O-N 3.13Å; E897-T900 PolarHBondContact O-OG1 3.17Å; E897-E901 WeakPolarHBondContact O-CG 3.43Å; E897-E901 PolarHBondContact O-N 3.13Å
898R88.9Confident88.4Confident105 Ų10566.3 Ų66.340%0.39634%0.341SS..Hα-helixtrans-65.2-36.5178.1-172.755.2175.4171.11.4112.1S895 E901 I902S895-R898 PolarHBondContact O-N 3.18Å; S895-R898 VanDerWaalsContact O-N 3.12Å; S895-R898 PolarHBondContact OG-N 3.03Å; R898-E901 WeakPolarHBondContact CD-OE2 3.36Å; R898-E901 IonicContact CZ-OE2 2.66Å; R898-E901 IonicContact NE-OE2 3.62Å; R898-E901 IonicContact NH1-OE2 3.13Å; R898-E901 PolarHBondContact NH1-OE2 3.27Å; R898-E901 PolarHBondContact O-N 3.32Å; R898-I902 HydrophobicContact CG-CD1 3.98Å; R898-I902 VanDerWaalsContact O-CG1 3.25Å; R898-I902 WeakPolarHBondContact O-CG1 3.38Å; R898-I902 PolarHBondContact O-N 2.92Å
899L89.1Confident88.6Confident1 Ų163 Ų631%0.00532%0.324CS..Hα-helixtrans-66.1-38.5174-70.3172.6000111.9L891 C894 S895 I896 E897 E901 I902 L903 A909 L912 H913L891-L899 HydrophobicContact CD1-CD2 3.78Å; C894-L899 HydrophobicContact CB-CD2 3.95Å; C894-L899 HydrophobicContact CB-CG 3.93Å; S895-L899 PolarHBondContact O-N 3.45Å; I896-L899 PolarHBondContact O-N 3.2Å; E897-L899 VanDerWaalsContact C-N 3.3Å; E897-L899 PolarHBondContact O-N 2.92Å; L899-E901 VanDerWaalsContact C-N 3.35Å; L899-I902 PolarHBondContact O-N 2.95Å; L899-L903 WeakPolarHBondContact O-CB 3.23Å; L899-L903 PolarHBondContact O-N 3.3Å; L899-A909 HydrophobicContact CB-CB 3.96Å; L899-L912 HydrophobicContact CD1-CD2 3.65Å; L899-L912 HydrophobicContact CD2-CD2 3.77Å; L899-L912 HydrophobicContact CG-CD2 4.32Å; L899-H913 HydrophobicContact CD1-CB 4.01Å
900T91.1Very high88.9Confident48 Ų4858.8 Ų58.829%0.29431%0.313SS..Hα-helixtrans-64.4-3917551.90000112.3I896 E897 D904 A909I896-T900 WeakPolarHBondContact O-CG2 3.33Å; I896-T900 PolarHBondContact O-N 3.46Å; I896-T900 PolarHBondContact O-OG1 3.14Å; E897-T900 VanDerWaalsContact C-OG1 3.32Å; E897-T900 WeakPolarHBondContact CA-OG1 3.28Å; E897-T900 PolarHBondContact O-N 3.03Å; E897-T900 VanDerWaalsContact O-N 3.13Å; E897-T900 PolarHBondContact O-OG1 3.17Å; T900-D904 WeakPolarHBondContact O-CA 3.48Å; T900-D904 PolarHBondContact O-N 3.38Å; T900-A909 HydrophobicContact CG2-CB 3.53Å
901E89.7Confident89.1Confident116 Ų11661.1 Ų61.154%0.54232%0.32SS..Hα-helixtrans-64.7-41.9174.5-70.8175.9177.400112.5E897 R898 L899E897-E901 WeakPolarHBondContact O-CG 3.43Å; E897-E901 PolarHBondContact O-N 3.13Å; R898-E901 WeakPolarHBondContact CD-OE2 3.36Å; R898-E901 IonicContact CZ-OE2 2.66Å; R898-E901 IonicContact NE-OE2 3.62Å; R898-E901 IonicContact NH1-OE2 3.13Å; R898-E901 PolarHBondContact NH1-OE2 3.27Å; R898-E901 PolarHBondContact O-N 3.32Å; L899-E901 VanDerWaalsContact C-N 3.35Å
902I87.8Confident89.2Confident7 Ų761 Ų614%0.03632%0.319CS..Hα-helixtrans-72.6-37.3-177.6-66.7166.1000111.3R880 I881 H884 V885 R898 L899R880-I902 HydrophobicContact CB-CG2 4.28Å; R880-I902 WeakPolarHBondContact CB-O 3.34Å; R880-I902 WeakPolarHBondContact CD-O 3.46Å; I881-I902 HydrophobicContact CG1-CG2 3.94Å; H884-I902 HydrophobicContact CB-CD1 3.87Å; H884-I902 HydrophobicContact CB-CG1 3.97Å; H884-I902 HydrophobicContact CB-CG2 4.26Å; V885-I902 HydrophobicContact CG2-CD1 4.19Å; R898-I902 HydrophobicContact CG-CD1 3.98Å; R898-I902 VanDerWaalsContact O-CG1 3.25Å; R898-I902 WeakPolarHBondContact O-CG1 3.38Å; R898-I902 PolarHBondContact O-N 2.92Å; L899-I902 PolarHBondContact O-N 2.95Å
903L87.3Confident89.3Confident5 Ų560.6 Ų60.63%0.02631%0.314CS..Hα-helixtrans-88.6-18-174.3-74172.8000114N877 R880 I881 L899 N905 A909N877-L903 HydrophobicContact CB-CD2 3.81Å; R880-L903 PolarHBondContact NH1-O 2.88Å; I881-L903 HydrophobicContact CD1-CD2 3.73Å; I881-L903 HydrophobicContact CD1-CG 4.42Å; I881-L903 HydrophobicContact CG1-CD2 3.97Å; L899-L903 WeakPolarHBondContact O-CB 3.23Å; L899-L903 PolarHBondContact O-N 3.3Å; L903-N905 PolarHBondContact O-N 2.74Å; L903-N905 VanDerWaalsContact O-N 3.11Å; L903-A909 HydrophobicContact CD1-CB 4.09Å
904D84.5Confident89.4Confident116 Ų11661.2 Ų61.262%0.6232%0.317SS*.SBendtrans50.721.2-166.9-60.3-32.5000113.9R880 T900R880-D904 IonicContact CZ-OD2 2.73Å; R880-D904 VanDerWaalsContact CZ-OD2 3.28Å; R880-D904 VanDerWaalsContact NH1-CG 3.32Å; R880-D904 IonicContact NH1-OD2 3.23Å; R880-D904 PolarHBondContact NH1-OD2 3.2Å; R880-D904 IonicContact NH2-OD2 3.99Å; T900-D904 WeakPolarHBondContact O-CA 3.48Å; T900-D904 PolarHBondContact O-N 3.38Å
905N87.9Confident89.6Confident68 Ų6865.4 Ų65.436%0.36433%0.333SS..  trans-144.4115.2178.8-174.5-9.9000110.4L903 E907 S908 A909L903-N905 PolarHBondContact O-N 2.74Å; L903-N905 VanDerWaalsContact O-N 3.11Å; N905-E907 PolarHBondContact O-N 3.46Å; N905-E907 PolarHBondContact OD1-N 2.89Å; N905-S908 PolarHBondContact O-N 3.45Å; N905-A909 WeakPolarHBondContact O-CB 3.45Å; N905-A909 PolarHBondContact O-N 2.78Å; N905-A909 VanDerWaalsContact O-N 3.09Å
906S88.2Confident89.6Confident74 Ų7464.6 Ų64.652%0.51732%0.323SS..Hα-helixtrans-62.9-40.3-179.557.90000112.6A909 V910S906-A909 PolarHBondContact O-N 3.15Å; S906-V910 WeakPolarHBondContact O-CB 3.5Å; S906-V910 WeakPolarHBondContact O-CG2 3.14Å; S906-V910 PolarHBondContact O-N 3.28Å
907E90.7Very high89.5Confident125 Ų12565.8 Ų65.858%0.58433%0.327SS*.Hα-helixtrans-66.4-43-179-64.3-172.3-178.400112.3N905 V910 K911N905-E907 PolarHBondContact O-N 3.46Å; N905-E907 PolarHBondContact OD1-N 2.89Å; E907-V910 PolarHBondContact O-N 3.16Å; E907-K911 WeakPolarHBondContact O-CB 3.19Å; E907-K911 VanDerWaalsContact O-CG 3.27Å; E907-K911 WeakPolarHBondContact O-CG 3.49Å; E907-K911 PolarHBondContact O-N 3.24Å
908S89.2Confident89.2Confident19 Ų1962.8 Ų62.813%0.13332%0.322CS..Hα-helixtrans-64-43.3176.7-75.20000111.2G872 N905 K911 L912G872-S908 WeakPolarHBondContact O-CB 3.48Å; G872-S908 PolarHBondContact O-OG 3.29Å; N905-S908 PolarHBondContact O-N 3.45Å; S908-K911 PolarHBondContact O-N 3.42Å; S908-L912 WeakPolarHBondContact O-CB 3.43Å; S908-L912 PolarHBondContact O-N 2.86Å
909A91Very high88.6Confident0 Ų066 Ų660%034%0.338CS..Hα-helixtrans-64-43.1177.800000112.1L899 T900 L903 N905 S906 L912 H913L899-A909 HydrophobicContact CB-CB 3.96Å; T900-A909 HydrophobicContact CG2-CB 3.53Å; L903-A909 HydrophobicContact CD1-CB 4.09Å; N905-A909 WeakPolarHBondContact O-CB 3.45Å; N905-A909 PolarHBondContact O-N 2.78Å; N905-A909 VanDerWaalsContact O-N 3.09Å; S906-A909 PolarHBondContact O-N 3.15Å; A909-L912 PolarHBondContact O-N 3.49Å; A909-H913 VanDerWaalsContact O-CB 3.23Å; A909-H913 WeakPolarHBondContact O-CB 3.42Å; A909-H913 PolarHBondContact O-N 2.97Å
910V91.9Very high87.2Confident56 Ų5671.5 Ų71.534%0.33938%0.376SS..Hα-helixtrans-64.1-45176.4172.10000110.9I896 S906 E907 L912 H913 N914I896-V910 HydrophobicContact CD1-CG2 3.94Å; S906-V910 WeakPolarHBondContact O-CB 3.5Å; S906-V910 WeakPolarHBondContact O-CG2 3.14Å; S906-V910 PolarHBondContact O-N 3.28Å; E907-V910 PolarHBondContact O-N 3.16Å; V910-L912 VanDerWaalsContact C-N 3.34Å; V910-L912 PolarHBondContact O-N 3.27Å; V910-H913 PolarHBondContact O-N 2.84Å; V910-N914 WeakPolarHBondContact CG1-ND2 3.19Å; V910-N914 WeakPolarHBondContact O-CB 3.33Å; V910-N914 PolarHBondContact O-N 2.74Å; V910-N914 PolarHBondContact O-ND2 2.95Å
911K91.6Very high85.2Confident113 Ų11374.4 Ų74.449%0.49139%0.39SS..Hα-helixtrans-59.6-45.2176.9-75.8171-174.3167.40111.5E907 S908 F915E907-K911 WeakPolarHBondContact O-CB 3.19Å; E907-K911 VanDerWaalsContact O-CG 3.27Å; E907-K911 WeakPolarHBondContact O-CG 3.49Å; E907-K911 PolarHBondContact O-N 3.24Å; S908-K911 PolarHBondContact O-N 3.42Å; K911-F915 WeakPolarHBondContact O-CB 3.37Å; K911-F915 PolarHBondContact O-N 2.92Å
912L91.6Very high82.9Confident1 Ų172.7 Ų72.71%0.00540%0.403CS..Hα-helixtrans-65.3-49.3178.2-175128.8000111.5L870 I873 L891 L899 S908 A909 V910 N914 F915 L916L870-L912 HydrophobicContact CB-CD1 4.38Å; L870-L912 HydrophobicContact CD1-CD1 4.46Å; I873-L912 HydrophobicContact CD1-CD1 3.59Å; I873-L912 HydrophobicContact CG1-CD1 3.55Å; L891-L912 HydrophobicContact CD1-CD2 4.45Å; L899-L912 HydrophobicContact CD1-CD2 3.65Å; L899-L912 HydrophobicContact CD2-CD2 3.77Å; L899-L912 HydrophobicContact CG-CD2 4.32Å; S908-L912 WeakPolarHBondContact O-CB 3.43Å; S908-L912 PolarHBondContact O-N 2.86Å; A909-L912 PolarHBondContact O-N 3.49Å; V910-L912 VanDerWaalsContact C-N 3.34Å; V910-L912 PolarHBondContact O-N 3.27Å; L912-N914 PolarHBondContact O-N 3Å; L912-F915 PolarHBondContact O-N 3.41Å; L912-L916 HydrophobicContact CD2-CD1 3.64Å; L912-L916 HydrophobicContact CG-CD1 4.09Å; L912-L916 VanDerWaalsContact O-CG 3.32Å; L912-L916 WeakPolarHBondContact O-CG 3.47Å; L912-L916 PolarHBondContact O-N 2.67Å
913H90.9Very high80.8Confident46 Ų4679.3 Ų79.321%0.21344%0.437CS..Hα-helixtrans-62.5-42.8179.8-176.7-85.1000112.1I896 L899 A909 V910 F915 L916 H917I896-H913 HydrophobicContact CD1-CB 4.32Å; I896-H913 HydrophobicContact CG1-CB 4.31Å; L899-H913 HydrophobicContact CD1-CB 4.01Å; A909-H913 VanDerWaalsContact O-CB 3.23Å; A909-H913 WeakPolarHBondContact O-CB 3.42Å; A909-H913 PolarHBondContact O-N 2.97Å; V910-H913 PolarHBondContact O-N 2.84Å; H913-F915 VanDerWaalsContact C-N 3.34Å; H913-F915 PolarHBondContact O-N 2.77Å; H913-L916 PolarHBondContact O-N 3.48Å; H913-H917 AromaticContact CD2-CD2 3.43Å; H913-H917 PolarHBondContact CD2-CD2 2.76Å; H913-H917 VanDerWaalsContact CD2-CD2 3.43Å; H913-H917 AromaticContact CD2-NE2 3.74Å; H913-H917 AromaticContact CE1-CD2 3.55Å; H913-H917 AromaticContact CG-CD2 3.76Å; H913-H917 AromaticContact ND1-CD2 3.82Å; H913-H917 AromaticContact NE2-CD2 3.32Å; H913-H917 PolarHBondContact NE2-CD2 3.02Å; H913-H917 VanDerWaalsContact NE2-CD2 3.32Å; H913-H917 AromaticContact NE2-NE2 3.69Å; H913-H917 PolarHBondContact O-CD2 3.06Å; H913-H917 VanDerWaalsContact O-CD2 3.31Å; H913-H917 PolarHBondContact O-N 3.2Å
914N90.6Very high78.5Confident92 Ų9284.9 Ų84.949%0.49247%0.472SS..Hα-helixtrans-63-41.3176.7-74-11.4000111.7V910 L912 S918V910-N914 WeakPolarHBondContact CG1-ND2 3.19Å; V910-N914 WeakPolarHBondContact O-CB 3.33Å; V910-N914 PolarHBondContact O-N 2.74Å; V910-N914 PolarHBondContact O-ND2 2.95Å; L912-N914 PolarHBondContact O-N 3Å; N914-S918 WeakPolarHBondContact O-CB 3.33Å; N914-S918 PolarHBondContact O-N 3.12Å; N914-S918 PolarHBondContact O-OG 3.25Å
915F90.9Very high75.8Confident112 Ų11283.2 Ų83.249%0.49147%0.469SS..Hα-helixtrans-61.5-49.6175.9177.3-101.7000111.4L870 P871 K911 L912 H913 H917 S918L870-F915 HydrophobicContact CD2-CD1 4.12Å; L870-F915 HydrophobicContact CD2-CE1 3.61Å; P871-F915 HydrophobicContact CG-CB 3.51Å; P871-F915 HydrophobicContact CG-CD1 3.98Å; P871-F915 HydrophobicContact CG-CD2 3.81Å; P871-F915 HydrophobicContact CG-CG 3.48Å; P871-F915 VanDerWaalsContact CG-CG 3.48Å; K911-F915 WeakPolarHBondContact O-CB 3.37Å; K911-F915 PolarHBondContact O-N 2.92Å; L912-F915 PolarHBondContact O-N 3.41Å; H913-F915 VanDerWaalsContact C-N 3.34Å; H913-F915 PolarHBondContact O-N 2.77Å; F915-H917 PolarHBondContact O-N 3.26Å; F915-S918 PolarHBondContact O-OG 3.42Å; F915-S918 VanDerWaalsContact O-OG 3.13Å
916L89.1Confident73.1Confident46 Ų4687.5 Ų87.524%0.24149%0.492CS..Hα-helixtrans-67.6-31.4-176.2-65.6176.7000114L891 V892 L912 H913L891-L916 HydrophobicContact CG-CD1 4.46Å; V892-L916 HydrophobicContact CG2-CD1 4.42Å; V892-L916 HydrophobicContact CG2-CD2 4.24Å; L912-L916 HydrophobicContact CD2-CD1 3.64Å; L912-L916 HydrophobicContact CG-CD1 4.09Å; L912-L916 VanDerWaalsContact O-CG 3.32Å; L912-L916 WeakPolarHBondContact O-CG 3.47Å; L912-L916 PolarHBondContact O-N 2.67Å; H913-L916 PolarHBondContact O-N 3.48Å
917H87.8Confident70.7Confident90 Ų9088.6 Ų88.642%0.41751%0.505SS..Hα-helixtrans-107.9-1.6-175-64.6-63.7000115.1V892 H913 F915 K919V892-H917 PolarHBondContact O-CE1 2.83Å; V892-H917 PolarHBondContact O-NE2 3.14Å; H913-H917 AromaticContact CD2-CD2 3.43Å; H913-H917 PolarHBondContact CD2-CD2 2.76Å; H913-H917 VanDerWaalsContact CD2-CD2 3.43Å; H913-H917 AromaticContact CD2-NE2 3.74Å; H913-H917 AromaticContact CE1-CD2 3.55Å; H913-H917 AromaticContact CG-CD2 3.76Å; H913-H917 AromaticContact ND1-CD2 3.82Å; H913-H917 AromaticContact NE2-CD2 3.32Å; H913-H917 PolarHBondContact NE2-CD2 3.02Å; H913-H917 VanDerWaalsContact NE2-CD2 3.32Å; H913-H917 AromaticContact NE2-NE2 3.69Å; H913-H917 PolarHBondContact O-CD2 3.06Å; H913-H917 VanDerWaalsContact O-CD2 3.31Å; H913-H917 PolarHBondContact O-N 3.2Å; F915-H917 PolarHBondContact O-N 3.26Å; H917-K919 PolarHBondContact O-N 3.38Å
918S84Confident67.8Low78 Ų7887.7 Ų87.755%0.54551%0.513SS..  trans-61.4127.6175.559.40000110.8N914 F915 C920N914-S918 WeakPolarHBondContact O-CB 3.33Å; N914-S918 PolarHBondContact O-N 3.12Å; N914-S918 PolarHBondContact O-OG 3.25Å; F915-S918 PolarHBondContact O-OG 3.42Å; F915-S918 VanDerWaalsContact O-OG 3.13Å; S918-C920 PolarHBondContact O-N 3.2Å
919K75.2Confident64.9Low172 Ų17292.9 Ų92.975%0.74854%0.544SS*.  trans-68.9133.5169.4-68.5-175.7178.91790108.1H917 N921H917-K919 PolarHBondContact O-N 3.38Å; K919-N921 VanDerWaalsContact CB-OD1 3.28Å; K919-N921 WeakPolarHBondContact CB-OD1 3.45Å; K919-N921 PolarHBondContact O-N 3Å
920C61.3Low62Low117 Ų11799.6 Ų99.679%0.79159%0.585SS**  trans-66.669.5167.1-84.40000110.7S918 G922S918-C920 PolarHBondContact O-N 3.2Å; C920-G922 PolarHBondContact O-N 3.4Å
921N48.4Very low59.1Low110 Ų110102.6 Ų102.659%0.58861%0.608SS**THydrogen-bonded Turntrans-78.91.5-179.9-77.3-4.1000113K919 S925K919-N921 VanDerWaalsContact CB-OD1 3.28Å; K919-N921 WeakPolarHBondContact CB-OD1 3.45Å; K919-N921 PolarHBondContact O-N 3Å; N921-S925 PolarHBondContact O-OG 3.1Å
922G42.1Very low56Low79 Ų79104.7 Ų104.781%0.81463%0.625SS**THydrogen-bonded Turntrans-85.2-0.2-176.400000116.7C920C920-G922 PolarHBondContact O-N 3.4Å
923L42.7Very low53.2Low146 Ų146112.7 Ų112.776%0.76467%0.666SS**THydrogen-bonded Turntrans-124-6.2-172.5-84.6155.6000115.4
924V38.2Very low50.4Low123 Ų123114.4 Ų114.475%0.74569%0.688SS**THydrogen-bonded Turntrans-134.8-16.3-171.8-176.50000114.6N926V924-N926 PolarHBondContact O-N 2.79Å
925S29.3Very low47.5Very low81 Ų81117.2 Ų117.257%0.56670%0.703SS**THydrogen-bonded Turntrans-92.581.9-177.860.30000112.6N921N921-S925 PolarHBondContact O-OG 3.1Å
926N30.3Very low44.6Very low157 Ų157120.2 Ų120.284%0.8472%0.718SS**THydrogen-bonded Turntrans-152.58.8148-90.9-14.5000112.1V924V924-N926 PolarHBondContact O-N 2.79Å
927A37.2Very low41.8Very low97 Ų97122.9 Ų122.980%0.80274%0.741SS**SBendtrans-10010.8-174.600000114.7
928S31.1Very low39Very low107 Ų107129 Ų12975%0.74877%0.767SS**  trans-123.561.6-176.347.30000112.5
929T28Very low36.5Very low128 Ų128135 Ų13579%0.78578%0.783SS**  trans-150.662.4164.535.80000109.9
930V29.8Very low34Very low141 Ų141132.7 Ų132.786%0.85579%0.788SS**SBendtrans-155.986.5154.7-172.20000108.3
931S30.4Very low32.5Very low119 Ų119132.2 Ų132.283%0.83278%0.783SS**  trans162.784.7145.941.10000109.4
932D27.5Very low31.6Very low156 Ų156134.9 Ų134.983%0.83480%0.797SS**  trans-68131.5152.7-66.1-45000107.8
933I32.6Very low31Very low169 Ų169141.2 Ų141.287%0.86780%0.802SS**  trans166.6124.7143.7-81.1151.6000108.6
934A31.6Very low30.4Very low83 Ų83145 Ų14569%0.68681%0.806SS**  trans83.486.3160.400000119.6
935D30.6Very low30.1Very low150 Ų150146.7 Ų146.780%0.80280%0.804SS**  60.8110.3110.6-61.8-14.2000122.2
936E29.9Very low30.1Very low175 Ų175147.7 Ų147.782%0.81882%0.817SS**  72.4116.8125.7-58.5-151153.800123.1
937S30Very low30.1Very low103 Ų103150.8 Ų150.872%0.7282%0.817SS**  trans87.390.5140.475.60000119.4
938F28.3Very low29.7Very low219 Ų219153.8 Ų153.896%0.96182%0.819SS**  trans-158.1116.3138.3-102-75.2000110.9
939K31.6Very low29.5Very low203 Ų203154.7 Ų154.788%0.88382%0.815SS**  trans-83123.9175.4-80.7175.1172.9173.60110.9
940C22.4Very low29.5Very low124 Ų124156.4 Ų156.484%0.83882%0.819SS**  trans47166.7144.8-80.30000121.7
941P31.6Very low29.4Very low106 Ų106154.5 Ų154.569%0.68881%0.812SS**  cis-132.6155.5-36.534.7-18.3000111.9
942N29.2Very low29.4Very low167 Ų167152.5 Ų152.589%0.89380%0.802SS**  trans-151.7104.3157.1-105.2-32000111.1R944N942-R944 PolarHBondContact O-N 2.77Å
943K29.5Very low29.4Very low212 Ų212149.6 Ų149.692%0.92279%0.794SS**  trans-69.3117.1169.4-73.3176.2175.5175.10108.6
944R30.5Very low29.5Very low225 Ų225144.5 Ų144.585%0.84977%0.771SS**  trans-121.3113.3158.6-82.8-171.3175.6-177.61.2109.3N942N942-R944 PolarHBondContact O-N 2.77Å
945K31.1Very low29.3Very low159 Ų159151.4 Ų151.469%0.69178%0.779SS**  trans-58132.8177.8-71178.1170.4-174.70110.4R947K945-R947 PolarHBondContact O-N 3.09Å
946A30Very low29.4Very low102 Ų102148.9 Ų148.984%0.84377%0.769SS**  trans-69.3122.8163.200000108.4L948A946-L948 PolarHBondContact O-N 2.69Å
947R28.7Very low29.4Very low221 Ų221150.6 Ų150.683%0.83477%0.768SS**  trans-79102.1174.7-85.8179.3162.8171.5-6.5108.8K945K945-R947 PolarHBondContact O-N 3.09Å
948L29.3Very low29.4Very low161 Ų161156.3 Ų156.384%0.84377%0.774SS**  trans-84.696.1152.9-81.2162.1000106.5A946 L950A946-L948 PolarHBondContact O-N 2.69Å; L948-L950 PolarHBondContact O-N 3.32Å; L948-L950 VanDerWaalsContact O-N 3.16Å
949N26.3Very low29.6Very low126 Ų126149.6 Ų149.667%0.67477%0.766SS**  trans-8188.1171.4-78.3-3.2000108.5
950L28.6Very low29.6Very low164 Ų164149.7 Ų149.786%0.85977%0.766SS**  trans-129.273.9160.1-82.5162.9000106.3L948L948-L950 PolarHBondContact O-N 3.32Å; L948-L950 VanDerWaalsContact O-N 3.16Å
951S28.3Very low30Very low101 Ų101149.3 Ų149.371%0.70677%0.765SS**  trans-10989.6174.356.20000109S953S951-S953 PolarHBondContact O-N 2.91Å
952A29.6Very low30Very low76 Ų76150.2 Ų150.263%0.62877%0.772SS**  trans-79.4104.3154.600000107.1V954A952-V954 PolarHBondContact O-N 3.36Å
953S28.1Very low29.9Very low96 Ų96145.6 Ų145.667%0.67176%0.764SS**  trans-81.398.5168.5162.40000108.1S951S951-S953 PolarHBondContact O-N 2.91Å
954V34.9Very low30.3Very low62 Ų62140.9 Ų140.938%0.37676%0.755SS.*  trans-97.7103.5170-178.10000108.1A952A952-V954 PolarHBondContact O-N 3.36Å
955R26.9Very low30.5Very low228 Ų228136.1 Ų136.186%0.8675%0.751SS**  trans-74.7123.5173.8-89-179.3171.1170-2.6109.8
956T33.5Very low30.8Very low96 Ų96138.2 Ų138.259%0.58976%0.761SS**  trans-75.9124.2163.8510000109.3R958T956-R958 PolarHBondContact O-N 3.02Å
957R29.4Very low31.2Very low211 Ų211149 Ų14980%0.79678%0.78SS**  trans-76.5104.7171.7-88.2-176.1170.6-174.7-3.1109.1
958R30.5Very low31.4Very low224 Ų224145.4 Ų145.485%0.84578%0.777SS**  trans-93.790.6158.1-83.5-173.5173-178.3-1.1109.3T956T956-R958 PolarHBondContact O-N 3.02Å
959G32.3Very low31.5Very low77 Ų77144.6 Ų144.679%0.79477%0.773SS**  trans-86.8110.2165.900000109.7S961G959-S961 PolarHBondContact O-N 2.87Å
960K32Very low31.8Very low205 Ų205145.6 Ų145.689%0.89178%0.779SS**  trans-60.5128.8171.7-78.5175.3172.8175.60110
961S29.2Very low31.9Very low117 Ų117144.5 Ų144.582%0.81877%0.774SS**  trans-72.1121.7163.747.70000109.9G959G959-S961 PolarHBondContact O-N 2.87Å
962C31.9Very low32.2Very low124 Ų124147.3 Ų147.384%0.83878%0.778SS**  trans-126.4105.1156.9-85.90000106.8
963G27.4Very low32.3Very low70 Ų70152 Ų15272%0.72279%0.788SS**  trans-68.3160.8156.400000109.5
964P37.3Very low32.6Very low113 Ų113156 Ų15673%0.73480%0.797SS**  -147148.8106.837-20.2000115.1
965T34.7Very low32.5Very low125 Ų125163.2 Ų163.277%0.76783%0.829SS**  trans61.6111.1136.358.40000121.6
966K37.9Very low32.9Very low204 Ų204157.8 Ų157.889%0.88783%0.827SS**  46.6102.8128.8-67.1-177.4175.6-179.80118.7
967R39.3Very low32.9Very low328 Ų328163.5 Ų163.5100%1.23885%0.848SS**  -150.90111.4-119.7-177.8-173.1-178.52.6109.9

Retrieved 967 of 967 residues in 1104.9 ms (Link to these results)

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