A0A077Z0V1_TRITR Loading...

U3 small nucleolar RNA interacting protein 2

AlphaFold DB , UniProt , Accession A0A077Z0V1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 378 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
1M65.8Low75.2Confident164 Ų164122.5 Ų122.581%0.80859%0.589SS**  0-93.50-152.9163.8-77.100108.3A3 E4 E5M1-A3 PolarHBondContact O-N 3.08Å; M1-A3 VanDerWaalsContact O-N 3.15Å; M1-E4 WeakPolarHBondContact CA-OE2 3.32Å; M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 CarbonylContact O-C 3.46Å; M1-E4 WeakPolarHBondContact O-CA 3.28Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.94Å; M1-E5 PolarHBondContact O-N 2.86Å
2K78.2Confident75.6Confident154 Ų154122.3 Ų122.367%0.6759%0.587SS**Hα-helixtrans-43.1-54.1-179.3-74.8-160.7170.7-161.90116.5E4 E5 E6K2-E4 VanDerWaalsContact C-N 3.28Å; K2-E4 PolarHBondContact O-N 3.06Å; K2-E5 VanDerWaalsContact CA-OE2 3.32Å; K2-E5 WeakPolarHBondContact CA-OE2 3.32Å; K2-E5 PolarHBondContact N-OE2 2.83Å; K2-E5 WeakPolarHBondContact O-CB 3.45Å; K2-E5 PolarHBondContact O-N 3.15Å; K2-E5 VanDerWaalsContact O-N 3.08Å; K2-E6 WeakPolarHBondContact O-CB 3.37Å; K2-E6 VanDerWaalsContact O-CG 3.32Å; K2-E6 WeakPolarHBondContact O-CG 3.32Å; K2-E6 PolarHBondContact O-N 2.54Å
3A77.8Confident76Confident69 Ų69116.8 Ų116.857%0.5757%0.569SS**Hα-helixtrans-61.9-33.7179.600000113.3M1 E7M1-A3 PolarHBondContact O-N 3.08Å; M1-A3 VanDerWaalsContact O-N 3.15Å; A3-E7 WeakPolarHBondContact O-CB 3.1Å; A3-E7 PolarHBondContact O-N 3.41Å
4E75.7Confident76.2Confident108 Ų108114.9 Ų114.951%0.50556%0.558SS.*Hα-helixtrans-76.4-27.3175.9-59163110.700111.6M1 K2 R8M1-E4 WeakPolarHBondContact CA-OE2 3.32Å; M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 CarbonylContact O-C 3.46Å; M1-E4 WeakPolarHBondContact O-CA 3.28Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.94Å; K2-E4 VanDerWaalsContact C-N 3.28Å; K2-E4 PolarHBondContact O-N 3.06Å; E4-R8 VanDerWaalsContact O-CB 3.28Å; E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 WeakPolarHBondContact O-CD 3.42Å; E4-R8 WeakPolarHBondContact O-CG 3.21Å; E4-R8 PolarHBondContact O-N 3.34Å
5E75.5Confident76.7Confident114 Ų114113.6 Ų113.653%0.53356%0.555SS.*Hα-helixtrans-74.9-40.8173.3-67163.4156.800110.7M1 K2 G9M1-E5 PolarHBondContact O-N 2.86Å; K2-E5 VanDerWaalsContact CA-OE2 3.32Å; K2-E5 WeakPolarHBondContact CA-OE2 3.32Å; K2-E5 PolarHBondContact N-OE2 2.83Å; K2-E5 WeakPolarHBondContact O-CB 3.45Å; K2-E5 PolarHBondContact O-N 3.15Å; K2-E5 VanDerWaalsContact O-N 3.08Å; E5-G9 PolarHBondContact O-N 2.91Å
6E78.4Confident77.3Confident130 Ų130111.7 Ų111.761%0.60755%0.548SS*.Hα-helixtrans-65-44.9173.4-71.8161.1-166.200111.2K2 G9 Y10K2-E6 WeakPolarHBondContact O-CB 3.37Å; K2-E6 VanDerWaalsContact O-CG 3.32Å; K2-E6 WeakPolarHBondContact O-CG 3.32Å; K2-E6 PolarHBondContact O-N 2.54Å; E6-G9 PolarHBondContact O-N 2.92Å; E6-Y10 WeakPolarHBondContact O-CB 3.43Å; E6-Y10 PolarHBondContact O-N 2.91Å
7E74.5Confident77.8Confident141 Ų141111.9 Ų111.966%0.65955%0.552SS**Hα-helixtrans-65-42.2175.8-175.5173.3-145.200112.4A3 Y10 Q11A3-E7 WeakPolarHBondContact O-CB 3.1Å; A3-E7 PolarHBondContact O-N 3.41Å; E7-Y10 PolarHBondContact O-N 3.42Å; E7-Q11 PolarHBondContact O-N 3.46Å
8R74.5Confident78.2Confident184 Ų184107.8 Ų107.869%0.69454%0.543SS*.Hα-helixtrans-64.7-42.6173.5-76.8170.3-174-162.92.6112.6E4 Y10 Q11 Q12E4-R8 VanDerWaalsContact O-CB 3.28Å; E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 WeakPolarHBondContact O-CD 3.42Å; E4-R8 WeakPolarHBondContact O-CG 3.21Å; E4-R8 PolarHBondContact O-N 3.34Å; R8-Y10 VanDerWaalsContact C-N 3.28Å; R8-Y10 PolarHBondContact O-N 2.92Å; R8-Q11 PolarHBondContact O-N 3.34Å; R8-Q12 WeakPolarHBondContact O-CB 3.46Å; R8-Q12 PolarHBondContact O-N 2.99Å
9G75.4Confident78.6Confident39 Ų39107.1 Ų107.140%0.40254%0.541SS..Hα-helixtrans-62.4-37.8175.600000111.9E5 E6 S13E5-G9 PolarHBondContact O-N 2.91Å; E6-G9 PolarHBondContact O-N 2.92Å; G9-S13 PolarHBondContact O-N 3.41Å; G9-S13 PolarHBondContact O-OG 2.88Å
10Y77.7Confident78.8Confident148 Ų148104 Ų10458%0.5853%0.532SS*.Hα-helixtrans-67.3-48.3175-172-109.5000112.4E6 E7 R8 Q12 S13 Q14E6-Y10 WeakPolarHBondContact O-CB 3.43Å; E6-Y10 PolarHBondContact O-N 2.91Å; E7-Y10 PolarHBondContact O-N 3.42Å; R8-Y10 VanDerWaalsContact C-N 3.28Å; R8-Y10 PolarHBondContact O-N 2.92Å; Y10-Q12 VanDerWaalsContact C-N 3.34Å; Y10-Q12 PolarHBondContact O-N 3.18Å; Y10-S13 PolarHBondContact O-N 2.89Å; Y10-S13 PolarHBondContact O-OG 3.22Å; Y10-Q14 HydrophobicContact CE1-CG 4.35Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.31Å; Y10-Q14 PolarHBondContact O-N 2.95Å; Y10-Q14 VanDerWaalsContact O-N 3.07Å; Y10-Q14 PolarHBondContact OH-NE2 3.26Å
11Q74.1Confident78.9Confident96 Ų96104.2 Ų104.245%0.44953%0.531SS..Hα-helixtrans-59.4-45.9175.7-175.960.756.300111.3E7 R8 S13 Q14 D15E7-Q11 PolarHBondContact O-N 3.46Å; R8-Q11 PolarHBondContact O-N 3.34Å; Q11-S13 VanDerWaalsContact C-N 3.3Å; Q11-S13 PolarHBondContact O-N 3.44Å; Q11-Q14 PolarHBondContact O-N 3.25Å; Q11-Q14 VanDerWaalsContact O-N 3.1Å; Q11-D15 PolarHBondContact NE2-OD1 2.68Å; Q11-D15 PolarHBondContact O-N 3.21Å
12Q79.9Confident79.8Confident121 Ų121104.5 Ų104.557%0.56552%0.523SS*.Hα-helixtrans-59.8-40.8177-176.1173.8-900111.4R8 Y10 Q14 D15 D16R8-Q12 WeakPolarHBondContact O-CB 3.46Å; R8-Q12 PolarHBondContact O-N 2.99Å; Y10-Q12 VanDerWaalsContact C-N 3.34Å; Y10-Q12 PolarHBondContact O-N 3.18Å; Q12-Q14 VanDerWaalsContact C-N 3.33Å; Q12-Q14 PolarHBondContact O-N 3.36Å; Q12-D15 PolarHBondContact O-N 2.84Å; Q12-D16 WeakPolarHBondContact O-CB 3.22Å; Q12-D16 VanDerWaalsContact O-CG 3.3Å; Q12-D16 PolarHBondContact O-N 3.25Å
13S80.6Confident79.8Confident50 Ų50101.3 Ų101.335%0.3551%0.513SS..Hα-helixtrans-64-34175.667.30000113.6G9 Y10 Q11 D17G9-S13 PolarHBondContact O-N 3.41Å; G9-S13 PolarHBondContact O-OG 2.88Å; Y10-S13 PolarHBondContact O-N 2.89Å; Y10-S13 PolarHBondContact O-OG 3.22Å; Q11-S13 VanDerWaalsContact C-N 3.3Å; Q11-S13 PolarHBondContact O-N 3.44Å; S13-D17 WeakPolarHBondContact O-CB 3.18Å; S13-D17 PolarHBondContact O-N 2.71Å
14Q79.3Confident79.6Confident90 Ų90104.8 Ų104.842%0.42152%0.517SS..Hα-helixtrans-70.5-38.4173.3-68.4-166.2-9.700112.6Y10 Q11 Q12 G18Y10-Q14 HydrophobicContact CE1-CG 4.35Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.31Å; Y10-Q14 PolarHBondContact O-N 2.95Å; Y10-Q14 VanDerWaalsContact O-N 3.07Å; Y10-Q14 PolarHBondContact OH-NE2 3.26Å; Q11-Q14 PolarHBondContact O-N 3.25Å; Q11-Q14 VanDerWaalsContact O-N 3.1Å; Q12-Q14 VanDerWaalsContact C-N 3.33Å; Q12-Q14 PolarHBondContact O-N 3.36Å; Q14-G18 PolarHBondContact O-N 3.1Å
15D83.6Confident79.4Confident96 Ų96105.8 Ų105.851%0.51352%0.522SS..Hα-helixtrans-68.2-40.4177.1-64.2-19.9000110.8Q11 Q12 G18 L19Q11-D15 PolarHBondContact NE2-OD1 2.68Å; Q11-D15 PolarHBondContact O-N 3.21Å; Q12-D15 PolarHBondContact O-N 2.84Å; D15-G18 PolarHBondContact O-N 2.88Å; D15-L19 WeakPolarHBondContact O-CB 3.34Å; D15-L19 PolarHBondContact O-N 2.99Å
16D86.6Confident79.1Confident83 Ų83107.3 Ų107.344%0.44453%0.529SS..Hα-helixtrans-66.8-44.3175.2-74.3-25000111.7Q12 G18 L19 A20Q12-D16 WeakPolarHBondContact O-CB 3.22Å; Q12-D16 VanDerWaalsContact O-CG 3.3Å; Q12-D16 PolarHBondContact O-N 3.25Å; D16-G18 VanDerWaalsContact C-N 3.34Å; D16-G18 PolarHBondContact O-N 3.4Å; D16-L19 PolarHBondContact O-N 2.98Å; D16-A20 WeakPolarHBondContact O-CB 3.4Å; D16-A20 PolarHBondContact O-N 2.93Å
17D84.6Confident78.4Confident115 Ų115105 Ų10562%0.61552%0.524SS*.Hα-helixtrans-61.5-41.7173.4-82.1-14.4000111.4S13 L19 A20 H21S13-D17 WeakPolarHBondContact O-CB 3.18Å; S13-D17 PolarHBondContact O-N 2.71Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 PolarHBondContact O-N 2.92Å; D17-A20 PolarHBondContact O-N 2.82Å; D17-H21 WeakPolarHBondContact O-CB 3.33Å; D17-H21 PolarHBondContact O-N 2.91Å
18G85Confident77.1Confident38 Ų38103.9 Ų103.939%0.39253%0.529SS..Hα-helixtrans-66.2-31.1176.500000113.5Q14 D15 D16 R22Q14-G18 PolarHBondContact O-N 3.1Å; D15-G18 PolarHBondContact O-N 2.88Å; D16-G18 VanDerWaalsContact C-N 3.34Å; D16-G18 PolarHBondContact O-N 3.4Å; G18-R22 PolarHBondContact O-N 3.28Å
19L85.9Confident76.1Confident95 Ų9598.3 Ų98.350%0.49753%0.528SS..Hα-helixtrans-74.3-43.9171.4-18061.8000111.5D15 D16 D17 R22 L23D15-L19 WeakPolarHBondContact O-CB 3.34Å; D15-L19 PolarHBondContact O-N 2.99Å; D16-L19 PolarHBondContact O-N 2.98Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 PolarHBondContact O-N 2.92Å; L19-R22 WeakPolarHBondContact O-CB 3.45Å; L19-R22 PolarHBondContact O-N 2.9Å; L19-L23 HydrophobicContact CD1-CD1 4.32Å; L19-L23 HydrophobicContact CD1-CG 4.43Å; L19-L23 HydrophobicContact CG-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.26Å
20A82.4Confident75Confident45 Ų45102.1 Ų102.137%0.37254%0.538SS..Hα-helixtrans-59.4-49.1178.100000111.7D16 D17 R22 L23 E24D16-A20 WeakPolarHBondContact O-CB 3.4Å; D16-A20 PolarHBondContact O-N 2.93Å; D17-A20 PolarHBondContact O-N 2.82Å; A20-R22 PolarHBondContact O-N 2.73Å; A20-L23 PolarHBondContact O-N 3.44Å; A20-L23 VanDerWaalsContact O-N 3.07Å; A20-E24 PolarHBondContact O-N 2.98Å
21H81.3Confident73.6Confident108 Ų10899.4 Ų99.450%0.555%0.547SS..Hα-helixtrans-62.3-28.5177.3177.1-106.1000113.2D17 Q25D17-H21 WeakPolarHBondContact O-CB 3.33Å; D17-H21 PolarHBondContact O-N 2.91Å; H21-Q25 PolarHBondContact CE1-NE2 2.99Å; H21-Q25 PolarHBondContact NE2-NE2 2.84Å; H21-Q25 WeakPolarHBondContact O-CG 3.1Å; H21-Q25 PolarHBondContact O-N 3.38Å
22R84.1Confident72.6Confident171 Ų171100.4 Ų100.465%0.64555%0.548SS*.Hα-helixtrans-70-46.9169.8-85.1177.3152.6162-5.3112.1G18 L19 A20 E24 Q25 E26G18-R22 PolarHBondContact O-N 3.28Å; L19-R22 WeakPolarHBondContact O-CB 3.45Å; L19-R22 PolarHBondContact O-N 2.9Å; A20-R22 PolarHBondContact O-N 2.73Å; R22-E24 VanDerWaalsContact C-N 3.3Å; R22-E24 PolarHBondContact O-N 2.95Å; R22-Q25 WeakPolarHBondContact O-CB 3.25Å; R22-Q25 PolarHBondContact O-N 3.46Å; R22-Q25 VanDerWaalsContact O-N 3.1Å; R22-E26 PolarHBondContact O-N 3.41Å
23L79.6Confident71.4Confident87 Ų8799.6 Ų99.646%0.45555%0.552SS.*Hα-helixtrans-64.5-33.8179.8-68.2169.5000112.4L19 A20 Q25 E26 V27L19-L23 HydrophobicContact CD1-CD1 4.32Å; L19-L23 HydrophobicContact CD1-CG 4.43Å; L19-L23 HydrophobicContact CG-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.26Å; A20-L23 PolarHBondContact O-N 3.44Å; A20-L23 VanDerWaalsContact O-N 3.07Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-E26 PolarHBondContact O-N 3.36Å; L23-V27 PolarHBondContact O-N 3.32Å
24E73.5Confident70.1Confident141 Ų141105.1 Ų105.166%0.65957%0.573SS**Hα-helixtrans-64.8-34.8171.9-72.2-174.816300112.8A20 R22 V27A20-E24 PolarHBondContact O-N 2.98Å; R22-E24 VanDerWaalsContact C-N 3.3Å; R22-E24 PolarHBondContact O-N 2.95Å; E24-V27 CarbonylContact O-C 3.51Å
25Q70.7Confident68.9Low130 Ų130105.1 Ų105.161%0.60757%0.574SS**Hα-helixtrans-75.1-30.4174.2-69.6-178.16.900112.9H21 R22 L23H21-Q25 PolarHBondContact CE1-NE2 2.99Å; H21-Q25 PolarHBondContact NE2-NE2 2.84Å; H21-Q25 WeakPolarHBondContact O-CG 3.1Å; H21-Q25 PolarHBondContact O-N 3.38Å; R22-Q25 WeakPolarHBondContact O-CB 3.25Å; R22-Q25 PolarHBondContact O-N 3.46Å; R22-Q25 VanDerWaalsContact O-N 3.1Å; L23-Q25 VanDerWaalsContact C-N 3.33Å
26E69.4Low67.6Low146 Ų146108.7 Ų108.768%0.68258%0.58SS**Hα-helixtrans-80.1-25.6176.1-71178.5-178.200112.9R22 L23 P28R22-E26 PolarHBondContact O-N 3.41Å; L23-E26 PolarHBondContact O-N 3.36Å; E26-P28 WeakPolarHBondContact O-CD 3.26Å
27V63.1Low66.1Low82 Ų82111.9 Ų111.950%0.49759%0.59SS.*  trans-123.263.8179.2-163.70000112.3L23 E24 G29 L30L23-V27 PolarHBondContact O-N 3.32Å; E24-V27 CarbonylContact O-C 3.51Å; V27-G29 VanDerWaalsContact C-N 3.25Å; V27-G29 PolarHBondContact O-N 2.64Å; V27-L30 HydrophobicContact CG1-CD1 3.98Å; V27-L30 HydrophobicContact CG1-CG 4.48Å
28P49Very low65Low117 Ų117108.1 Ų108.176%0.7657%0.57SS**THydrogen-bonded Turntrans-73.475.6178.732.5-36.7000111.4E26E26-P28 WeakPolarHBondContact O-CD 3.26Å
29G52Low63.7Low66 Ų66106.9 Ų106.968%0.6856%0.556SS**THydrogen-bonded Turntrans-168.7-14.5-178.500000115.7V27 A31V27-G29 VanDerWaalsContact C-N 3.25Å; V27-G29 PolarHBondContact O-N 2.64Å; G29-A31 PolarHBondContact O-N 2.81Å
30L53Low62.3Low119 Ų119109.4 Ų109.462%0.62357%0.57SS**  trans-76.925.4179.2-86.7160.6000114.6V27 Y32V27-L30 HydrophobicContact CG1-CD1 3.98Å; V27-L30 HydrophobicContact CG1-CG 4.48Å; L30-Y32 WeakPolarHBondContact O-CD2 3.37Å; L30-Y32 PolarHBondContact O-N 3.33Å
31A47.5Very low61.6Low92 Ų92108 Ų10876%0.7656%0.557SS**  trans-71.696.1173.900000110.2G29G29-A31 PolarHBondContact O-N 2.81Å
32Y54.5Low61Low117 Ų117104 Ų10446%0.45954%0.541SS..PPolyproline II helixtrans-55.6135173.2-59.9-90.6000110.1L30 E34 R199 E243L30-Y32 WeakPolarHBondContact O-CD2 3.37Å; L30-Y32 PolarHBondContact O-N 3.33Å; Y32-E34 PolarHBondContact O-N 3.37Å; Y32-R199 HydrophobicContact CE1-CG 4.45Å; Y32-R199 PolarHBondContact OH-NE 3.15Å; Y32-R199 PolarHBondContact OH-NH2 3.38Å; Y32-E243 HydrophobicContact CD1-CG 4.36Å; Y32-E243 HydrophobicContact CE1-CG 4.08Å
33P54.9Low60.4Low103 Ų10399.3 Ų99.367%0.66953%0.528SS*.PPolyproline II helixtrans-62133.2-179.325.3-34.1000110.6M291P33-M291 WeakPolarHBondContact O-CE 3.37Å
34E53.2Low59.8Low167 Ų16798.7 Ų98.778%0.7852%0.524SS*.PPolyproline II helixtrans-57.7143.5-177.8-65.8-172.8132.800112.6Y32 R36Y32-E34 PolarHBondContact O-N 3.37Å; E34-R36 PolarHBondContact O-N 3.49Å
35M53Low59.9Low89 Ų8992.8 Ų92.844%0.43850%0.498SS..  trans-71.194.7178.8-176.5172.5-66.700111.1F37 M291M35-F37 HydrophobicContact CB-CE2 4.43Å; M35-F37 HydrophobicContact CG-CE1 4.25Å; M35-F37 HydrophobicContact CG-CE2 3.9Å; M35-F37 HydrophobicContact CG-CZ 3.75Å; M35-F37 WeakPolarHBondContact O-CD2 3.29Å; M35-F37 PolarHBondContact O-N 3.08Å; M35-F37 HydrophobicContact SD-CE1 3.99Å; M35-F37 HydrophobicContact SD-CE2 4.15Å; M35-F37 HydrophobicContact SD-CZ 3.46Å; M35-F37 WeakPolarHBondContact SD-CZ 3.47Å; M35-M291 HydrophobicContact CB-CE 4.41Å; M35-M291 HydrophobicContact CB-SD 3.74Å; M35-M291 HydrophobicContact CE-SD 3.73Å; M35-M291 HydrophobicContact CG-SD 3.68Å
36R55.9Low60.1Low171 Ų17188.6 Ų88.665%0.64548%0.483SS*.  trans-82.9112.2179.8-66.3-171.7175.1-167.9-2.1112.1E34 I38E34-R36 PolarHBondContact O-N 3.49Å; R36-I38 HydrophobicContact CB-CG2 4.18Å; R36-I38 PolarHBondContact O-N 2.93Å
37F56.4Low60.4Low151 Ų15184.4 Ų84.466%0.66247%0.469SS*.  trans-81.151.5178.5-65.8-83.3000113.8M35 A39M35-F37 HydrophobicContact CB-CE2 4.43Å; M35-F37 HydrophobicContact CG-CE1 4.25Å; M35-F37 HydrophobicContact CG-CE2 3.9Å; M35-F37 HydrophobicContact CG-CZ 3.75Å; M35-F37 WeakPolarHBondContact O-CD2 3.29Å; M35-F37 PolarHBondContact O-N 3.08Å; M35-F37 HydrophobicContact SD-CE1 3.99Å; M35-F37 HydrophobicContact SD-CE2 4.15Å; M35-F37 HydrophobicContact SD-CZ 3.46Å; M35-F37 WeakPolarHBondContact SD-CZ 3.47Å; F37-A39 PolarHBondContact O-N 3.06Å
38I61.8Low61.2Low36 Ų3685.8 Ų85.819%0.18548%0.482CS..G310 helixtrans-71.615.717868.4-168000113.7R36 D40 S41 V42 Q290 M292 F375R36-I38 HydrophobicContact CB-CG2 4.18Å; R36-I38 PolarHBondContact O-N 2.93Å; I38-D40 PolarHBondContact O-N 2.95Å; I38-S41 PolarHBondContact O-N 3.07Å; I38-S41 PolarHBondContact O-OG 3.44Å; I38-V42 WeakPolarHBondContact O-CG2 3.36Å; I38-Q290 HydrophobicContact CD1-CB 4.21Å; I38-M292 HydrophobicContact CB-CE 4.41Å; I38-M292 HydrophobicContact CD1-CE 4.26Å; I38-M292 HydrophobicContact CG1-CE 3.36Å; I38-F375 HydrophobicContact CB-CD1 3.92Å; I38-F375 HydrophobicContact CB-CE1 4.31Å; I38-F375 HydrophobicContact CD1-CD1 3.69Å; I38-F375 HydrophobicContact CD1-CE1 3.41Å; I38-F375 VanDerWaalsContact CD1-CE1 3.41Å; I38-F375 HydrophobicContact CD1-CG 4.42Å; I38-F375 HydrophobicContact CD1-CZ 3.94Å; I38-F375 HydrophobicContact CG1-CD1 3.77Å; I38-F375 HydrophobicContact CG1-CE1 3.64Å
39A55.7Low62.9Low12 Ų1283.2 Ų83.210%0.09946%0.46CS..G310 helixtrans-60.9-46.1-173.500000113.2F37 S41 M292 V318 V320F37-A39 PolarHBondContact O-N 3.06Å; A39-S41 VanDerWaalsContact C-N 3.31Å; A39-S41 PolarHBondContact O-N 3.29Å; A39-M292 HydrophobicContact CB-CE 4.38Å; A39-M292 HydrophobicContact CB-SD 4.49Å; A39-V318 HydrophobicContact CB-CG1 4.23Å; A39-V320 HydrophobicContact CB-CG2 3.53Å; A39-V320 WeakPolarHBondContact O-CG2 3.34Å
40D56.7Low64.3Low147 Ų14781 Ų8179%0.78643%0.432SS*.G310 helixtrans-83.9-6.5-177.2-68-31.8000112.8I38I38-D40 PolarHBondContact O-N 2.95Å
41S67.6Low65.9Low16 Ų1678.2 Ų78.211%0.11242%0.416CS..G310 helixtrans-97.5-7.5-175.276.80000115.1I38 A39 I43 N376I38-S41 PolarHBondContact O-N 3.07Å; I38-S41 PolarHBondContact O-OG 3.44Å; A39-S41 VanDerWaalsContact C-N 3.31Å; A39-S41 PolarHBondContact O-N 3.29Å; S41-I43 PolarHBondContact O-N 3.47Å; S41-N376 VanDerWaalsContact CB-O 3.27Å; S41-N376 WeakPolarHBondContact CB-O 3.42Å; S41-N376 PolarHBondContact O-N 2.59Å; S41-N376 PolarHBondContact O-ND2 3.37Å; S41-N376 VanDerWaalsContact O-ND2 3.14Å; S41-N376 PolarHBondContact OG-O 2.92Å
42V69.2Low67.8Low25 Ų2575.7 Ų75.715%0.15239%0.391CS..EExtended strand (participates in β ladder)trans-75121.1-170.8-149.80000112.9I38 M292 F322 K374 F375I38-V42 WeakPolarHBondContact O-CG2 3.36Å; V42-M292 HydrophobicContact CG2-CE 3.79Å; V42-F322 HydrophobicContact CB-CE1 3.85Å; V42-F322 HydrophobicContact CB-CZ 3.86Å; V42-F322 HydrophobicContact CG1-CE1 3.59Å; V42-F322 HydrophobicContact CG1-CZ 3.86Å; V42-F322 HydrophobicContact CG2-CE1 4.34Å; V42-F322 HydrophobicContact CG2-CZ 3.83Å; V42-K374 CarbonylContact C-O 3.6Å; V42-K374 WeakPolarHBondContact CA-O 3.37Å; V42-K374 VanDerWaalsContact CG1-O 3.26Å; V42-K374 WeakPolarHBondContact CG1-O 3.41Å; V42-F375 HydrophobicContact CB-CD1 4.08Å; V42-F375 HydrophobicContact CB-CE1 4.07Å; V42-F375 HydrophobicContact CG1-CD1 3.81Å; V42-F375 HydrophobicContact CG1-CE1 3.56Å; V42-F375 HydrophobicContact CG1-CG 4.45Å; V42-F375 HydrophobicContact CG1-CZ 4.01Å; V42-F375 HydrophobicContact CG2-CD1 3.63Å; V42-F375 HydrophobicContact CG2-CE1 3.45Å; V42-F375 VanDerWaalsContact CG2-CE1 3.45Å
43I71.7Confident69.5Low72 Ų7270.5 Ų70.537%0.36937%0.371SS..EExtended strand (participates in β ladder)trans-84.8124.7174.7-52.1165.3000108.1S41 K374 N376S41-I43 PolarHBondContact O-N 3.47Å; I43-K374 HydrophobicContact CB-CB 4.1Å; I43-K374 HydrophobicContact CD1-CB 4.22Å; I43-K374 PolarHBondContact N-O 3.04Å; I43-N376 WeakPolarHBondContact CG1-ND2 3.25Å
44L67.7Low71.2Confident73 Ų7372.5 Ų72.538%0.38237%0.365SS..PPolyproline II helixtrans-72131.6172.9-62176.8000109.9F322L44-F322 HydrophobicContact CD2-CB 4.45Å; L44-F322 HydrophobicContact CD2-CD1 3.51Å; L44-F322 HydrophobicContact CD2-CE1 4.14Å; L44-F322 HydrophobicContact CD2-CG 4.35Å
45P74.5Confident72.9Confident18 Ų1866.1 Ų66.112%0.11735%0.345CS..PPolyproline II helixtrans-66.6152177.528.8-36.1000111.6E49 I50 I371 P372P45-E49 HydrophobicContact CB-CB 4.03Å; P45-I50 HydrophobicContact CG-CG1 4.38Å; P45-I371 HydrophobicContact CG-CG2 3.8Å; P45-P372 HydrophobicContact CB-CG 4.09Å; P45-P372 WeakPolarHBondContact CB-O 3.5Å; P45-P372 WeakPolarHBondContact CD-O 3.47Å; P45-P372 VanDerWaalsContact CG-O 3.26Å; P45-P372 WeakPolarHBondContact CG-O 3.26Å
46S75.8Confident74.7Confident41 Ų4162.8 Ų62.829%0.28733%0.328SS..PPolyproline II helixtrans-66.7154.3168.668.90000110.9S48 E49S46-S48 PolarHBondContact O-N 2.85Å; S46-S48 PolarHBondContact OG-OG 3.16Å; S46-E49 WeakPolarHBondContact CB-OE1 3.41Å; S46-E49 PolarHBondContact N-OE1 2.84Å; S46-E49 PolarHBondContact O-N 2.82Å; S46-E49 WeakPolarHBondContact OG-CG 3.36Å; S46-E49 PolarHBondContact OG-OE1 3Å
47P74.7Confident76.3Confident59 Ų5963.8 Ų63.838%0.38333%0.332SS..G310 helixtrans-57.6-23176.9-25.434.8000114.2Y328P47-Y328 HydrophobicContact CB-CD2 3.85Å; P47-Y328 HydrophobicContact CB-CE2 4.08Å; P47-Y328 HydrophobicContact CB-CG 4.21Å; P47-Y328 HydrophobicContact CG-CD2 3.75Å; P47-Y328 HydrophobicContact CG-CE2 3.5Å; P47-Y328 VanDerWaalsContact CG-CE2 3.5Å
48S81Confident78Confident110 Ų11060.5 Ų60.577%0.76932%0.32SS*.G310 helixtrans-75-18.317527.10000114.9S46S46-S48 PolarHBondContact O-N 2.85Å; S46-S48 PolarHBondContact OG-OG 3.16Å
49E83.3Confident79.4Confident63 Ų6358.8 Ų58.829%0.29431%0.312SS..G310 helixtrans-89.8-7.5176.4-70.4162.2-95.900112.7P45 S46 P372 K374P45-E49 HydrophobicContact CB-CB 4.03Å; S46-E49 WeakPolarHBondContact CB-OE1 3.41Å; S46-E49 PolarHBondContact N-OE1 2.84Å; S46-E49 PolarHBondContact O-N 2.82Å; S46-E49 WeakPolarHBondContact OG-CG 3.36Å; S46-E49 PolarHBondContact OG-OE1 3Å; E49-P372 HydrophobicContact CB-CG 3.91Å; E49-P372 WeakPolarHBondContact O-CD 3.42Å; E49-P372 WeakPolarHBondContact O-CG 3.33Å; E49-K374 WeakPolarHBondContact OE2-CE 3.45Å; E49-K374 IonicContact OE2-NZ 3.38Å; E49-K374 PolarHBondContact OE2-NZ 2.83Å
50I82.9Confident81.2Confident19 Ų1958.2 Ų58.210%0.09731%0.307CS..  trans-89.4111.2-177.2-59.8177.6000109.5P45 V324 F329 V369 V370 I371P45-I50 HydrophobicContact CG-CG1 4.38Å; I50-V324 HydrophobicContact CD1-CG1 3.77Å; I50-F329 HydrophobicContact CB-CZ 4.35Å; I50-F329 HydrophobicContact CG2-CE2 4.24Å; I50-F329 HydrophobicContact CG2-CZ 4.03Å; I50-V369 HydrophobicContact CG2-CG1 3.32Å; I50-V370 WeakPolarHBondContact CA-O 3.47Å; I50-I371 HydrophobicContact CG2-CG1 4.23Å
51Q86.1Confident83Confident61 Ų6151.4 Ų51.429%0.28527%0.271SS..EExtended strand (participates in β ladder)trans-79.8144.8175.2-54.4171.4-26.100110.5L86 S89 V369 V370Q51-L86 PolarHBondContact NE2-O 2.82Å; Q51-S89 PolarHBondContact NE2-OG 2.79Å; Q51-V369 WeakPolarHBondContact O-CA 3.43Å; Q51-V370 HydrophobicContact CB-CB 4.05Å; Q51-V370 HydrophobicContact CB-CG2 4.2Å; Q51-V370 PolarHBondContact N-O 2.68Å; Q51-V370 VanDerWaalsContact N-O 3.1Å; Q51-V370 PolarHBondContact O-N 2.73Å
52V87.3Confident84.2Confident39 Ų3951.1 Ų51.124%0.23627%0.269CS..EExtended strand (participates in β ladder)trans-129.3101.1175.5-177.40000110.7R54 F329 V369V52-R54 HydrophobicContact CG1-CG 4.27Å; V52-F329 HydrophobicContact CG2-CD1 3.93Å; V52-F329 HydrophobicContact CG2-CE1 3.41Å; V52-F329 VanDerWaalsContact CG2-CE1 3.41Å; V52-F329 HydrophobicContact CG2-CZ 3.99Å; V52-V369 HydrophobicContact CG1-CG2 4.35Å; V52-V369 HydrophobicContact CG2-CG1 4.29Å; V52-V369 HydrophobicContact CG2-CG2 4.17Å
53L90.8Very high85.4Confident8 Ų850.2 Ų50.24%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-86.3129.8-177.1-50.2175.6000109.9W84 L86 S367 V368 V370L53-W84 HydrophobicContact CB-CD2 4.06Å; L53-W84 HydrophobicContact CB-CE3 3.74Å; L53-W84 HydrophobicContact CB-CH2 3.91Å; L53-W84 HydrophobicContact CB-CZ2 4.25Å; L53-W84 HydrophobicContact CB-CZ3 3.64Å; L53-W84 HydrophobicContact CD1-CB 3.88Å; L53-W84 HydrophobicContact CD1-CD2 3.89Å; L53-W84 HydrophobicContact CD1-CE3 4Å; L53-W84 HydrophobicContact CD1-CG 3.86Å; L53-W84 HydrophobicContact CD2-CE3 4.36Å; L53-W84 HydrophobicContact CG-CE3 4.25Å; L53-L86 HydrophobicContact CD1-CD2 3.87Å; L53-S367 WeakPolarHBondContact O-CA 3.47Å; L53-S367 WeakPolarHBondContact O-CB 3.07Å; L53-V368 HydrophobicContact CB-CB 4.21Å; L53-V368 PolarHBondContact N-O 3.19Å; L53-V368 PolarHBondContact O-N 3.4Å; L53-V370 HydrophobicContact CD1-CG2 3.87Å; L53-V370 HydrophobicContact CG-CG2 4.24Å
54R90.6Very high86.5Confident145 Ų14547.3 Ų47.355%0.54725%0.25SC..  trans-128.4127.7-172.7-63-175.3-177.7177.32.4112V52 K91V52-R54 HydrophobicContact CG1-CG 4.27Å; R54-K91 VanDerWaalsContact O-CE 3.24Å; R54-K91 WeakPolarHBondContact O-CE 3.38Å; R54-K91 PolarHBondContact O-NZ 3.11Å
55G88Confident87.6Confident34 Ų3444.6 Ų44.635%0.35124%0.236SC..  trans-171.6-36.6-173.700000117
56H91Very high88.5Confident18 Ų1844.3 Ų44.38%0.08323%0.234CC..  trans-69.3144.7174.5-69.3-75.3000111.5L58 V60 S74 S76 D78 D80H56-L58 WeakPolarHBondContact CB-O 3.44Å; H56-V60 HydrophobicContact CB-CG2 4.49Å; H56-S74 PolarHBondContact CD2-OG 3.42Å; H56-S74 PolarHBondContact CE1-O 3.38Å; H56-S74 PolarHBondContact NE2-O 2.84Å; H56-S74 VanDerWaalsContact NE2-O 3.16Å; H56-S74 PolarHBondContact NE2-OG 3.33Å; H56-S76 VanDerWaalsContact CG-CB 3.44Å; H56-S76 WeakPolarHBondContact ND1-CB 3.47Å; H56-D78 WeakPolarHBondContact CA-OD2 3.26Å; H56-D78 WeakPolarHBondContact CB-OD2 3.4Å; H56-D78 IonicContact CE1-OD1 3.12Å; H56-D78 IonicContact CG-OD2 2.69Å; H56-D78 IonicContact ND1-OD1 3.46Å; H56-D78 PolarHBondContact ND1-OD1 2.99Å; H56-D78 VanDerWaalsContact ND1-OD1 3.1Å; H56-D78 IonicContact ND1-OD2 3.83Å; H56-D78 PolarHBondContact ND1-OD2 3.26Å; H56-D80 PolarHBondContact CE1-O 3.18Å
57R90.2Very high89Confident193 Ų19345.4 Ų45.473%0.72825%0.245SC*.SBendtrans-80.1-36.3175.6-65.1175.1168.2-177.7-5.9111.2D78 N366R57-D78 HydrophobicContact CB-CB 4.29Å; R57-D78 PolarHBondContact N-OD2 2.84Å; R57-N366 PolarHBondContact O-ND2 3.11Å
58L91.7Very high89.6Confident81 Ų8146.9 Ų46.942%0.42425%0.25SS..SBendtrans-116.1178.1177.9-60.5177.8000111H56 V60 S76 K77 D78 N366H56-L58 WeakPolarHBondContact CB-O 3.44Å; L58-V60 PolarHBondContact O-N 2.87Å; L58-S76 VanDerWaalsContact C-OG 3.24Å; L58-S76 PolarHBondContact O-OG 3.02Å; L58-K77 HydrophobicContact CB-CB 3.88Å; L58-K77 HydrophobicContact CD1-CB 4.29Å; L58-K77 WeakPolarHBondContact CD1-O 3.41Å; L58-D78 HydrophobicContact CB-CB 4.15Å; L58-D78 HydrophobicContact CD1-CB 4.29Å; L58-D78 HydrophobicContact CG-CB 4.21Å; L58-D78 PolarHBondContact N-OD2 3.24Å; L58-N366 VanDerWaalsContact C-CG 3.5Å; L58-N366 WeakPolarHBondContact O-CB 3.18Å
59S91.6Very high89.9Confident1 Ų142 Ų421%0.00722%0.216CC..  trans-60.6127.5-174.6-610000113.5T61 S76 K77 Q351 E352 N366S59-T61 PolarHBondContact O-N 2.89Å; S59-S76 WeakPolarHBondContact O-CA 3.44Å; S59-S76 PolarHBondContact O-OG 3.39Å; S59-K77 PolarHBondContact O-N 3.16Å; S59-Q351 PolarHBondContact OG-N 3.47Å; S59-Q351 VanDerWaalsContact OG-N 3.09Å; S59-E352 PolarHBondContact OG-N 3.48Å; S59-E352 VanDerWaalsContact OG-N 3.09Å; S59-N366 VanDerWaalsContact CA-OD1 3.23Å; S59-N366 WeakPolarHBondContact CA-OD1 3.3Å; S59-N366 PolarHBondContact N-OD1 3.22Å; S59-N366 PolarHBondContact OG-OD1 3.02Å; S59-N366 VanDerWaalsContact OG-OD1 3.09Å
60V93.4Very high90.3Very high0 Ų046.8 Ų46.80%023%0.232CC..EExtended strand (participates in β ladder)trans-60.1129.9169.5-174.80000108.3H56 L58 V63 G75 N335 V368H56-V60 HydrophobicContact CB-CG2 4.49Å; L58-V60 PolarHBondContact O-N 2.87Å; V60-V63 HydrophobicContact CG1-CG1 3.89Å; V60-G75 CarbonylContact C-O 3.46Å; V60-G75 WeakPolarHBondContact CA-O 3.47Å; V60-G75 WeakPolarHBondContact CG1-O 3.42Å; V60-N335 WeakPolarHBondContact O-CB 3.2Å; V60-N335 PolarHBondContact O-ND2 2.95Å; V60-V368 HydrophobicContact CG1-CG2 4.4Å; V60-V368 HydrophobicContact CG2-CG2 4.36Å
61T93.3Very high90.8Very high3 Ų347.6 Ų47.62%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-107.2-37.6-174.847.40000112.2S59 G75 K77 V108 K354S59-T61 PolarHBondContact O-N 2.89Å; T61-G75 PolarHBondContact N-O 3.05Å; T61-G75 PolarHBondContact OG1-O 2.9Å; T61-K77 HydrophobicContact CG2-CG 3.61Å; T61-V108 WeakPolarHBondContact CB-O 3.42Å; T61-V108 WeakPolarHBondContact CG2-O 3.48Å; T61-V108 PolarHBondContact OG1-O 3.32Å; T61-K354 HydrophobicContact CG2-CB 4.18Å
62S93.6Very high91.1Very high11 Ų1144.7 Ų44.78%0.07722%0.221CC..EExtended strand (participates in β ladder)trans-144.5145.9-177-173.60000110.9S74 G75 I111S62-S74 WeakPolarHBondContact O-CA 3.35Å; S62-G75 PolarHBondContact O-N 3.02Å; S62-I111 PolarHBondContact OG-N 2.86Å
63V94.3Very high91.5Very high6 Ų642.9 Ų42.94%0.03621%0.21CC..EExtended strand (participates in β ladder)trans-133150.4173.3-69.70000111V60 V73 S336 A338 V346 V368V60-V63 HydrophobicContact CG1-CG1 3.89Å; V63-V73 CarbonylContact C-O 3.58Å; V63-V73 VanDerWaalsContact CA-O 3.24Å; V63-V73 WeakPolarHBondContact CA-O 3.42Å; V63-S336 WeakPolarHBondContact CG2-OG 3.49Å; V63-S336 PolarHBondContact N-OG 2.99Å; V63-A338 HydrophobicContact CG2-CB 4.19Å; V63-V346 HydrophobicContact CB-CG1 3.99Å; V63-V346 HydrophobicContact CG1-CG1 4.2Å; V63-V346 HydrophobicContact CG2-CG1 4.11Å; V63-V368 HydrophobicContact CG1-CG1 4.21Å; V63-V368 HydrophobicContact CG1-CG2 4.26Å
64A93.8Very high91.7Very high10 Ų1042.5 Ų42.58%0.08321%0.208CC..EExtended strand (participates in β ladder)trans-140.5163.417300000110.8A72 V73 I111 L113A64-A72 WeakPolarHBondContact O-CA 3.37Å; A64-V73 PolarHBondContact N-O 2.85Å; A64-V73 PolarHBondContact O-N 3.09Å; A64-I111 HydrophobicContact CB-CG2 3.89Å; A64-L113 HydrophobicContact CB-CD1 3.81Å; A64-L113 HydrophobicContact CB-CG 4.13Å
65L92.4Very high91.9Very high17 Ų1735.6 Ų35.69%0.08918%0.182CC..EExtended strand (participates in β ladder)trans-128.4143.9177.5-87.7167.5000109.5A72 L86 L113 A340 L344 V346L65-A72 HydrophobicContact CD2-CB 4.09Å; L65-L86 HydrophobicContact CD2-CD1 3.72Å; L65-L113 WeakPolarHBondContact O-CD1 3.06Å; L65-A340 HydrophobicContact CB-CB 3.87Å; L65-L344 HydrophobicContact CD1-CB 4.35Å; L65-V346 HydrophobicContact CD1-CB 4.19Å; L65-V346 HydrophobicContact CD1-CG2 3.84Å; L65-V346 HydrophobicContact CD2-CG2 3.78Å; L65-V346 HydrophobicContact CG-CB 4.24Å; L65-V346 HydrophobicContact CG-CG2 3.86Å
66T92.2Very high92.2Very high11 Ų1134 Ų347%0.06717%0.165CC..  trans-69.3154.1167.649.10000111.4D68 G69 K71 L113 F134 A340T66-D68 VanDerWaalsContact CB-OD1 3.25Å; T66-D68 WeakPolarHBondContact CB-OD1 3.3Å; T66-D68 PolarHBondContact O-N 2.62Å; T66-D68 PolarHBondContact OG1-OD1 3.12Å; T66-G69 PolarHBondContact O-N 2.91Å; T66-K71 HydrophobicContact CG2-CB 3.84Å; T66-K71 PolarHBondContact N-O 3.34Å; T66-K71 PolarHBondContact OG1-N 3.33Å; T66-K71 PolarHBondContact OG1-O 3.03Å; T66-L113 HydrophobicContact CG2-CD1 4.18Å; T66-F134 HydrophobicContact CG2-CE1 3.54Å; T66-F134 HydrophobicContact CG2-CE2 4.33Å; T66-F134 HydrophobicContact CG2-CZ 3.33Å; T66-A340 WeakPolarHBondContact O-CB 3.39Å
67A87.2Confident92.3Very high64 Ų6434 Ų3453%0.52917%0.165SC..THydrogen-bonded Turntrans-58.5-32.2-17800000113.5G69A67-G69 VanDerWaalsContact C-N 3.28Å; A67-G69 PolarHBondContact O-N 2.9Å
68D86.6Confident92.3Very high91 Ų9125.7 Ų25.749%0.48714%0.135SC..THydrogen-bonded Turntrans-76.4-11175.673.2-15000114.1T66 R70T66-D68 VanDerWaalsContact CB-OD1 3.25Å; T66-D68 WeakPolarHBondContact CB-OD1 3.3Å; T66-D68 PolarHBondContact O-N 2.62Å; T66-D68 PolarHBondContact OG1-OD1 3.12Å; D68-R70 VanDerWaalsContact C-N 3.31Å; D68-R70 HydrophobicContact CB-CG 4.37Å; D68-R70 PolarHBondContact O-N 2.84Å; D68-R70 PolarHBondContact OD1-N 2.9Å; D68-R70 WeakPolarHBondContact OD2-CB 3.45Å; D68-R70 WeakPolarHBondContact OD2-CD 3.34Å; D68-R70 WeakPolarHBondContact OD2-CG 3.34Å; D68-R70 IonicContact OD2-NE 2.64Å
69G87.3Confident92.2Very high6 Ų622 Ų226%0.06212%0.116CC..SBendtrans70.614.8-176.700000115.4T66 A67 L344T66-G69 PolarHBondContact O-N 2.91Å; A67-G69 VanDerWaalsContact C-N 3.28Å; A67-G69 PolarHBondContact O-N 2.9Å; G69-L344 WeakPolarHBondContact O-CD1 3.49Å
70R91.5Very high92.2Very high165 Ų16522.2 Ų22.262%0.62312%0.117SC*.SBendtrans-91-32.7-177.8-62.6-173.7-169.3-170.51.5114.4D68 L86D68-R70 VanDerWaalsContact C-N 3.31Å; D68-R70 HydrophobicContact CB-CG 4.37Å; D68-R70 PolarHBondContact O-N 2.84Å; D68-R70 PolarHBondContact OD1-N 2.9Å; D68-R70 WeakPolarHBondContact OD2-CB 3.45Å; D68-R70 WeakPolarHBondContact OD2-CD 3.34Å; D68-R70 WeakPolarHBondContact OD2-CG 3.34Å; D68-R70 IonicContact OD2-NE 2.64Å; R70-L86 WeakPolarHBondContact O-CB 3.2Å; R70-L86 WeakPolarHBondContact O-CG 3.43Å; R70-L86 PolarHBondContact O-N 2.76Å
71K93.1Very high92.3Very high36 Ų3622.3 Ų22.316%0.15712%0.118CC..EExtended strand (participates in β ladder)trans-114.3138.7179.6-67.6173.6176.2-176.70110.7T66 I83 W84 F134 E135T66-K71 HydrophobicContact CG2-CB 3.84Å; T66-K71 PolarHBondContact N-O 3.34Å; T66-K71 PolarHBondContact OG1-N 3.33Å; T66-K71 PolarHBondContact OG1-O 3.03Å; K71-I83 HydrophobicContact CD-CG2 4.34Å; K71-W84 CarbonylContact C-O 3.59Å; K71-W84 WeakPolarHBondContact CA-O 3.47Å; K71-F134 HydrophobicContact CB-CZ 3.98Å; K71-F134 HydrophobicContact CD-CE1 3.48Å; K71-F134 VanDerWaalsContact CD-CE1 3.48Å; K71-F134 HydrophobicContact CD-CZ 3.45Å; K71-F134 VanDerWaalsContact CD-CZ 3.45Å; K71-F134 HydrophobicContact CG-CZ 4.39Å; K71-E135 IonicContact NZ-OE1 3.61Å; K71-E135 PolarHBondContact NZ-OE1 2.86Å; K71-E135 IonicContact NZ-OE2 2.62Å; K71-E135 PolarHBondContact NZ-OE2 2.8Å
72A94Very high92.3Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-111.1151.1167.400000110.3A64 L65 W84 L86 V346A64-A72 WeakPolarHBondContact O-CA 3.37Å; L65-A72 HydrophobicContact CD2-CB 4.09Å; A72-W84 HydrophobicContact CB-CB 4.43Å; A72-W84 PolarHBondContact N-O 3.05Å; A72-W84 PolarHBondContact O-N 2.93Å; A72-L86 HydrophobicContact CB-CD1 4.22Å; A72-L86 HydrophobicContact CB-CD2 3.79Å; A72-L86 HydrophobicContact CB-CG 4.24Å; A72-V346 HydrophobicContact CB-CG2 4.45Å
73V95.1Very high92.4Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-124.1140.1175.4-172.70000109.1V63 A64 I81 L82 I83 I111 L113 L120 F134V63-V73 CarbonylContact C-O 3.58Å; V63-V73 VanDerWaalsContact CA-O 3.24Å; V63-V73 WeakPolarHBondContact CA-O 3.42Å; A64-V73 PolarHBondContact N-O 2.85Å; A64-V73 PolarHBondContact O-N 3.09Å; V73-I81 HydrophobicContact CG1-CG2 3.4Å; V73-L82 WeakPolarHBondContact CA-O 3.31Å; V73-I83 HydrophobicContact CG1-CG1 4.49Å; V73-I83 HydrophobicContact CG2-CG1 4.29Å; V73-I83 HydrophobicContact CG2-CG2 4.48Å; V73-I111 HydrophobicContact CG1-CD1 3.93Å; V73-I111 HydrophobicContact CG1-CG2 4.21Å; V73-L113 HydrophobicContact CG2-CD1 4.02Å; V73-L113 HydrophobicContact CG2-CD2 4.28Å; V73-L120 HydrophobicContact CG1-CD1 3.93Å; V73-L120 HydrophobicContact CG1-CD2 4.25Å; V73-F134 HydrophobicContact CG2-CE2 3.73Å; V73-F134 HydrophobicContact CG2-CZ 4.48Å
74S95.3Very high92.4Very high0 Ų021.9 Ų21.90%011%0.114CC..EExtended strand (participates in β ladder)trans-135.8133.3175.763.50000113H56 S62 I81 L82 W84 V368H56-S74 PolarHBondContact CD2-OG 3.42Å; H56-S74 PolarHBondContact CE1-O 3.38Å; H56-S74 PolarHBondContact NE2-O 2.84Å; H56-S74 VanDerWaalsContact NE2-O 3.16Å; H56-S74 PolarHBondContact NE2-OG 3.33Å; S62-S74 WeakPolarHBondContact O-CA 3.35Å; S74-I81 WeakPolarHBondContact O-CA 3.41Å; S74-L82 PolarHBondContact N-O 3.37Å; S74-L82 PolarHBondContact O-N 2.97Å; S74-W84 PolarHBondContact OG-NE1 3.43Å; S74-V368 WeakPolarHBondContact OG-CG2 3.33Å
75G94.4Very high92.4Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-105.7154.4171.800000111.2V60 T61 S62 I111V60-G75 CarbonylContact C-O 3.46Å; V60-G75 WeakPolarHBondContact CA-O 3.47Å; V60-G75 WeakPolarHBondContact CG1-O 3.42Å; T61-G75 PolarHBondContact N-O 3.05Å; T61-G75 PolarHBondContact OG1-O 2.9Å; S62-G75 PolarHBondContact O-N 3.02Å; G75-I111 VanDerWaalsContact N-CD1 3.33Å
76S94.3Very high92.4Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-145.4165-176174.20000113.4H56 L58 S59 D78 G79 D80 V108H56-S76 VanDerWaalsContact CG-CB 3.44Å; H56-S76 WeakPolarHBondContact ND1-CB 3.47Å; L58-S76 VanDerWaalsContact C-OG 3.24Å; L58-S76 PolarHBondContact O-OG 3.02Å; S59-S76 WeakPolarHBondContact O-CA 3.44Å; S59-S76 PolarHBondContact O-OG 3.39Å; S76-D78 VanDerWaalsContact CB-OD1 3.29Å; S76-D78 WeakPolarHBondContact CB-OD1 3.23Å; S76-D78 PolarHBondContact O-N 2.95Å; S76-D78 VanDerWaalsContact O-N 3.15Å; S76-D78 PolarHBondContact OG-N 2.74Å; S76-D78 PolarHBondContact OG-OD1 2.91Å; S76-G79 PolarHBondContact O-N 2.84Å; S76-D80 PolarHBondContact N-O 3.47Å; S76-V108 PolarHBondContact O-N 2.87Å
77K92.1Very high92.3Very high18 Ų1830.6 Ų30.68%0.07815%0.153CC..THydrogen-bonded Turntrans-63-6167.9-61.8-169.2-172-175.30114.5L58 S59 T61 G79 Y107 E352 H353 K354 G356L58-K77 HydrophobicContact CB-CB 3.88Å; L58-K77 HydrophobicContact CD1-CB 4.29Å; L58-K77 WeakPolarHBondContact CD1-O 3.41Å; S59-K77 PolarHBondContact O-N 3.16Å; T61-K77 HydrophobicContact CG2-CG 3.61Å; K77-G79 VanDerWaalsContact C-N 3.26Å; K77-Y107 HydrophobicContact CB-CD1 3.92Å; K77-Y107 HydrophobicContact CB-CE1 4.26Å; K77-Y107 HydrophobicContact CG-CD1 4.41Å; K77-Y107 VanDerWaalsContact O-CD1 3.24Å; K77-Y107 WeakPolarHBondContact O-CD1 3.45Å; K77-Y107 VanDerWaalsContact O-CE1 3.32Å; K77-Y107 WeakPolarHBondContact O-CE1 3.37Å; K77-E352 VanDerWaalsContact NZ-CB 3.33Å; K77-E352 IonicContact NZ-OE2 2.7Å; K77-E352 PolarHBondContact NZ-OE2 2.79Å; K77-H353 WeakPolarHBondContact CE-O 3.45Å; K77-H353 PolarHBondContact NZ-O 2.89Å; K77-K354 WeakPolarHBondContact CE-O 3.49Å; K77-G356 PolarHBondContact NZ-O 2.8Å
78D90.4Very high92.5Very high20 Ų2031.8 Ų31.811%0.10715%0.154CC..THydrogen-bonded Turntrans-84.2-0.8168.35925.6000113.8H56 R57 L58 S76 D80 C97H56-D78 WeakPolarHBondContact CA-OD2 3.26Å; H56-D78 WeakPolarHBondContact CB-OD2 3.4Å; H56-D78 IonicContact CE1-OD1 3.12Å; H56-D78 IonicContact CG-OD2 2.69Å; H56-D78 IonicContact ND1-OD1 3.46Å; H56-D78 PolarHBondContact ND1-OD1 2.99Å; H56-D78 VanDerWaalsContact ND1-OD1 3.1Å; H56-D78 IonicContact ND1-OD2 3.83Å; H56-D78 PolarHBondContact ND1-OD2 3.26Å; R57-D78 HydrophobicContact CB-CB 4.29Å; R57-D78 PolarHBondContact N-OD2 2.84Å; L58-D78 HydrophobicContact CB-CB 4.15Å; L58-D78 HydrophobicContact CD1-CB 4.29Å; L58-D78 HydrophobicContact CG-CB 4.21Å; L58-D78 PolarHBondContact N-OD2 3.24Å; S76-D78 VanDerWaalsContact CB-OD1 3.29Å; S76-D78 WeakPolarHBondContact CB-OD1 3.23Å; S76-D78 PolarHBondContact O-N 2.95Å; S76-D78 VanDerWaalsContact O-N 3.15Å; S76-D78 PolarHBondContact OG-N 2.74Å; S76-D78 PolarHBondContact OG-OD1 2.91Å; D78-D80 PolarHBondContact O-N 3.07Å; D78-D80 PolarHBondContact OD1-N 3.33Å; D78-C97 WeakPolarHBondContact O-CB 3.36Å; D78-C97 PolarHBondContact O-SG 3.42Å
79G89.6Confident92.6Very high2 Ų229.7 Ų29.72%0.02115%0.147CC..SBendtrans77.4-4.4176.300000114.1S76 K77S76-G79 PolarHBondContact O-N 2.84Å; K77-G79 VanDerWaalsContact C-N 3.26Å
80D92.4Very high92.7Very high6 Ų631.5 Ų31.53%0.03216%0.161CC..  trans-85.6156.5175.9-66.9-21.2000110.9H56 S76 D78 R94 L95 K96 C97H56-D80 PolarHBondContact CE1-O 3.18Å; S76-D80 PolarHBondContact N-O 3.47Å; D78-D80 PolarHBondContact O-N 3.07Å; D78-D80 PolarHBondContact OD1-N 3.33Å; D80-R94 IonicContact OD2-CZ 3.26Å; D80-R94 IonicContact OD2-NE 3.27Å; D80-R94 PolarHBondContact OD2-NE 3.06Å; D80-R94 IonicContact OD2-NH2 3.39Å; D80-R94 PolarHBondContact OD2-NH2 2.85Å; D80-L95 WeakPolarHBondContact CA-O 3.13Å; D80-L95 WeakPolarHBondContact CB-O 3.4Å; D80-K96 VanDerWaalsContact OD1-CA 3.3Å; D80-K96 WeakPolarHBondContact OD1-CA 3.25Å; D80-C97 PolarHBondContact OD1-N 2.89Å
81I94.7Very high92.8Very high2 Ų228.8 Ų28.81%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-119.6130.3168.6-53.3168.2000107.8V73 S74 R94 L95 V108 I111 L120 S122V73-I81 HydrophobicContact CG1-CG2 3.4Å; S74-I81 WeakPolarHBondContact O-CA 3.41Å; I81-R94 CarbonylContact O-C 3.53Å; I81-R94 WeakPolarHBondContact O-CA 3.48Å; I81-L95 HydrophobicContact CB-CB 4.15Å; I81-L95 HydrophobicContact CB-CD1 4.37Å; I81-L95 HydrophobicContact CB-CG 4.43Å; I81-L95 HydrophobicContact CD1-CD1 4.35Å; I81-L95 PolarHBondContact N-O 2.82Å; I81-L95 PolarHBondContact O-N 3.42Å; I81-V108 HydrophobicContact CD1-CG2 4.43Å; I81-V108 HydrophobicContact CG1-CG2 3.93Å; I81-I111 HydrophobicContact CD1-CD1 4.42Å; I81-I111 HydrophobicContact CG1-CD1 4.2Å; I81-I111 HydrophobicContact CG2-CD1 3.69Å; I81-L120 HydrophobicContact CG2-CD2 4.24Å; I81-S122 VanDerWaalsContact CD1-CB 3.42Å
82L94.9Very high92.6Very high5 Ų530.9 Ų30.93%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-110129.9176.3-64.9178.1000110.1V73 S74 W84 R94V73-L82 WeakPolarHBondContact CA-O 3.31Å; S74-L82 PolarHBondContact N-O 3.37Å; S74-L82 PolarHBondContact O-N 2.97Å; L82-W84 HydrophobicContact CB-CZ2 3.99Å; L82-W84 HydrophobicContact CD1-CH2 4.03Å; L82-W84 HydrophobicContact CD1-CZ2 3.49Å; L82-W84 VanDerWaalsContact CD1-CZ2 3.49Å; L82-W84 HydrophobicContact CG-CZ2 4.38Å; L82-R94 HydrophobicContact CD2-CB 3.64Å; L82-R94 HydrophobicContact CD2-CG 3.57Å
83I95.4Very high92.4Very high2 Ų233.5 Ų33.51%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-99.7130.2167.7-51.9-176.1000107.7K71 V73 T92 L93 L120 F134K71-I83 HydrophobicContact CD-CG2 4.34Å; V73-I83 HydrophobicContact CG1-CG1 4.49Å; V73-I83 HydrophobicContact CG2-CG1 4.29Å; V73-I83 HydrophobicContact CG2-CG2 4.48Å; I83-T92 PolarHBondContact O-N 3.37Å; I83-L93 HydrophobicContact CB-CB 4.08Å; I83-L93 HydrophobicContact CD1-CB 4.12Å; I83-L93 HydrophobicContact CD1-CD2 4.06Å; I83-L93 HydrophobicContact CG1-CB 4.22Å; I83-L93 PolarHBondContact N-O 3.5Å; I83-L93 PolarHBondContact O-N 2.66Å; I83-L120 HydrophobicContact CD1-CD2 4.48Å; I83-F134 HydrophobicContact CD1-CD2 3.95Å; I83-F134 HydrophobicContact CD1-CE2 3.86Å; I83-F134 HydrophobicContact CG1-CE2 4.49Å; I83-F134 HydrophobicContact CG2-CE2 4.15Å; I83-F134 HydrophobicContact CG2-CZ 4.28Å
84W94.8Very high92.2Very high5 Ų538.9 Ų38.92%0.01920%0.204CC..EExtended strand (participates in β ladder)trans-117.9136.4-176-51.487.5000110.1L53 K71 A72 S74 L82 A90 K91L53-W84 HydrophobicContact CB-CD2 4.06Å; L53-W84 HydrophobicContact CB-CE3 3.74Å; L53-W84 HydrophobicContact CB-CH2 3.91Å; L53-W84 HydrophobicContact CB-CZ2 4.25Å; L53-W84 HydrophobicContact CB-CZ3 3.64Å; L53-W84 HydrophobicContact CD1-CB 3.88Å; L53-W84 HydrophobicContact CD1-CD2 3.89Å; L53-W84 HydrophobicContact CD1-CE3 4Å; L53-W84 HydrophobicContact CD1-CG 3.86Å; L53-W84 HydrophobicContact CD2-CE3 4.36Å; L53-W84 HydrophobicContact CG-CE3 4.25Å; K71-W84 CarbonylContact C-O 3.59Å; K71-W84 WeakPolarHBondContact CA-O 3.47Å; A72-W84 HydrophobicContact CB-CB 4.43Å; A72-W84 PolarHBondContact N-O 3.05Å; A72-W84 PolarHBondContact O-N 2.93Å; S74-W84 PolarHBondContact OG-NE1 3.43Å; L82-W84 HydrophobicContact CB-CZ2 3.99Å; L82-W84 HydrophobicContact CD1-CH2 4.03Å; L82-W84 HydrophobicContact CD1-CZ2 3.49Å; L82-W84 VanDerWaalsContact CD1-CZ2 3.49Å; L82-W84 HydrophobicContact CG-CZ2 4.38Å; W84-A90 VanDerWaalsContact CA-O 3.3Å; W84-A90 WeakPolarHBondContact CA-O 3.41Å; W84-K91 HydrophobicContact CD2-CG 4.3Å; W84-K91 HydrophobicContact CE3-CG 3.58Å; W84-K91 HydrophobicContact CH2-CD 4.22Å; W84-K91 HydrophobicContact CH2-CG 3.92Å; W84-K91 HydrophobicContact CZ3-CD 4.02Å; W84-K91 HydrophobicContact CZ3-CG 3.37Å
85D93.9Very high91.9Very high38 Ų3839.4 Ų39.420%0.20321%0.207CC..EExtended strand (participates in β ladder)trans-88.3125.6162.7167.118.5000108.4E87 T88 S89 A90 T92D85-E87 WeakPolarHBondContact OD1-CB 3.42Å; D85-E87 PolarHBondContact OD1-N 2.93Å; D85-T88 VanDerWaalsContact CG-OG1 3.25Å; D85-T88 VanDerWaalsContact OD2-CB 3.31Å; D85-T88 WeakPolarHBondContact OD2-CB 3.36Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.24Å; D85-T88 PolarHBondContact OD2-N 3.25Å; D85-T88 PolarHBondContact OD2-OG1 3.47Å; D85-S89 CarbonylContact O-C 3.57Å; D85-S89 WeakPolarHBondContact O-CA 3.45Å; D85-S89 PolarHBondContact O-N 2.85Å; D85-A90 PolarHBondContact N-O 3.4Å; D85-A90 PolarHBondContact O-N 2.8Å; D85-T92 PolarHBondContact N-OG1 2.89Å
86L91.5Very high91.1Very high13 Ų1345.7 Ų45.77%0.06823%0.234CC..THydrogen-bonded Turntrans-83.4-19.7-177-59.7-175000113.3Q51 L53 L65 R70 A72 L344 V370Q51-L86 PolarHBondContact NE2-O 2.82Å; L53-L86 HydrophobicContact CD1-CD2 3.87Å; L65-L86 HydrophobicContact CD2-CD1 3.72Å; R70-L86 WeakPolarHBondContact O-CB 3.2Å; R70-L86 WeakPolarHBondContact O-CG 3.43Å; R70-L86 PolarHBondContact O-N 2.76Å; A72-L86 HydrophobicContact CB-CD1 4.22Å; A72-L86 HydrophobicContact CB-CD2 3.79Å; A72-L86 HydrophobicContact CB-CG 4.24Å; L86-L344 HydrophobicContact CD1-CD1 4.36Å; L86-V370 HydrophobicContact CD1-CG1 4.3Å; L86-V370 HydrophobicContact CD2-CG1 4.43Å; L86-V370 HydrophobicContact CD2-CG2 3.8Å
87E90.4Very high89.5Confident169 Ų16947 Ų4779%0.7924%0.243SC*.THydrogen-bonded Turntrans-74.4-50175.2-170.7173.916700110.1D85D85-E87 WeakPolarHBondContact OD1-CB 3.42Å; D85-E87 PolarHBondContact OD1-N 2.93Å
88T90.4Very high87.8Confident89 Ų8949.2 Ų49.255%0.54625%0.254SS..THydrogen-bonded Turntrans-85.4-9.4176.464.10000114.5D85 A90D85-T88 VanDerWaalsContact CG-OG1 3.25Å; D85-T88 VanDerWaalsContact OD2-CB 3.31Å; D85-T88 WeakPolarHBondContact OD2-CB 3.36Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.24Å; D85-T88 PolarHBondContact OD2-N 3.25Å; D85-T88 PolarHBondContact OD2-OG1 3.47Å; T88-A90 PolarHBondContact O-N 2.94Å; T88-A90 VanDerWaalsContact O-N 3.17Å; T88-A90 VanDerWaalsContact OG1-CB 3.24Å; T88-A90 WeakPolarHBondContact OG1-CB 3.34Å; T88-A90 PolarHBondContact OG1-N 3.44Å
89S88.6Confident85.8Confident48 Ų4857.8 Ų57.834%0.33629%0.285SS..THydrogen-bonded Turntrans55.221.9-169.2-64.20000114.1Q51 D85Q51-S89 PolarHBondContact NE2-OG 2.79Å; D85-S89 CarbonylContact O-C 3.57Å; D85-S89 WeakPolarHBondContact O-CA 3.45Å; D85-S89 PolarHBondContact O-N 2.85Å
90A90.4Very high83.6Confident44 Ų4468.2 Ų68.236%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-95.8168-175.100000112.8W84 D85 T88W84-A90 VanDerWaalsContact CA-O 3.3Å; W84-A90 WeakPolarHBondContact CA-O 3.41Å; D85-A90 PolarHBondContact N-O 3.4Å; D85-A90 PolarHBondContact O-N 2.8Å; T88-A90 PolarHBondContact O-N 2.94Å; T88-A90 VanDerWaalsContact O-N 3.17Å; T88-A90 VanDerWaalsContact OG1-CB 3.24Å; T88-A90 WeakPolarHBondContact OG1-CB 3.34Å; T88-A90 PolarHBondContact OG1-N 3.44Å
91K92.4Very high81.7Confident107 Ų10772.6 Ų72.647%0.46535%0.348SS..EExtended strand (participates in β ladder)trans-91.8113.1169.9-66.8161.9-169.7151.80108.3R54 W84R54-K91 VanDerWaalsContact O-CE 3.24Å; R54-K91 WeakPolarHBondContact O-CE 3.38Å; R54-K91 PolarHBondContact O-NZ 3.11Å; W84-K91 HydrophobicContact CD2-CG 4.3Å; W84-K91 HydrophobicContact CE3-CG 3.58Å; W84-K91 HydrophobicContact CH2-CD 4.22Å; W84-K91 HydrophobicContact CH2-CG 3.92Å; W84-K91 HydrophobicContact CZ3-CD 4.02Å; W84-K91 HydrophobicContact CZ3-CG 3.37Å
92T90.1Very high80Confident81 Ų8177.6 Ų77.650%0.49738%0.379SS..EExtended strand (participates in β ladder)trans-78.8-43.7176.8-41.10000110.4I83 D85I83-T92 PolarHBondContact O-N 3.37Å; D85-T92 PolarHBondContact N-OG1 2.89Å
93L90.4Very high78.7Confident55 Ų5579.2 Ų79.229%0.28839%0.389SS..EExtended strand (participates in β ladder)trans-146.6156-174.4-162.556.6000112.5I83 L95I83-L93 HydrophobicContact CB-CB 4.08Å; I83-L93 HydrophobicContact CD1-CB 4.12Å; I83-L93 HydrophobicContact CD1-CD2 4.06Å; I83-L93 HydrophobicContact CG1-CB 4.22Å; I83-L93 PolarHBondContact N-O 3.5Å; I83-L93 PolarHBondContact O-N 2.66Å; L93-L95 HydrophobicContact CD2-CD2 3.93Å; L93-L95 HydrophobicContact CG-CD2 4.07Å
94R90.9Very high77.2Confident113 Ų11379.2 Ų79.243%0.42639%0.389SS..EExtended strand (participates in β ladder)trans-139.3105.8174.9177.5174.7178.2-168.40.9111D80 I81 L82 K96D80-R94 IonicContact OD2-CZ 3.26Å; D80-R94 IonicContact OD2-NE 3.27Å; D80-R94 PolarHBondContact OD2-NE 3.06Å; D80-R94 IonicContact OD2-NH2 3.39Å; D80-R94 PolarHBondContact OD2-NH2 2.85Å; I81-R94 CarbonylContact O-C 3.53Å; I81-R94 WeakPolarHBondContact O-CA 3.48Å; L82-R94 HydrophobicContact CD2-CB 3.64Å; L82-R94 HydrophobicContact CD2-CG 3.57Å; R94-K96 HydrophobicContact CG-CG 4.34Å
95L87.8Confident76.5Confident10 Ų1079 Ų795%0.05239%0.389CS..EExtended strand (participates in β ladder)trans-81.2140.2169.7-40.8179.8000107.7D80 I81 L93 L120 W132D80-L95 WeakPolarHBondContact CA-O 3.13Å; D80-L95 WeakPolarHBondContact CB-O 3.4Å; I81-L95 HydrophobicContact CB-CB 4.15Å; I81-L95 HydrophobicContact CB-CD1 4.37Å; I81-L95 HydrophobicContact CB-CG 4.43Å; I81-L95 HydrophobicContact CD1-CD1 4.35Å; I81-L95 PolarHBondContact N-O 2.82Å; I81-L95 PolarHBondContact O-N 3.42Å; L93-L95 HydrophobicContact CD2-CD2 3.93Å; L93-L95 HydrophobicContact CG-CD2 4.07Å; L95-L120 HydrophobicContact CD1-CD2 3.61Å; L95-W132 HydrophobicContact CB-CH2 4.5Å; L95-W132 HydrophobicContact CB-CZ3 4.38Å; L95-W132 HydrophobicContact CD1-CB 4.27Å; L95-W132 HydrophobicContact CD1-CD2 3.7Å; L95-W132 HydrophobicContact CD1-CE3 3.91Å; L95-W132 HydrophobicContact CD1-CG 3.85Å; L95-W132 HydrophobicContact CD2-CE3 4.5Å
96K78.8Confident76Confident132 Ų13281.5 Ų81.557%0.57440%0.402SS*.  trans-113.9146.3-163.6-71.8179.3-175.4165.40114.7D80 R94 G104D80-K96 VanDerWaalsContact OD1-CA 3.3Å; D80-K96 WeakPolarHBondContact OD1-CA 3.25Å; R94-K96 HydrophobicContact CG-CG 4.34Å; K96-G104 WeakPolarHBondContact O-CA 3.38Å
97C59.3Low75.9Confident29 Ų2986.3 Ų86.320%0.19642%0.42CS..  trans-63160.5175.266.50000114.6D78 D80 R99 H105D78-C97 WeakPolarHBondContact O-CB 3.36Å; D78-C97 PolarHBondContact O-SG 3.42Å; D80-C97 PolarHBondContact OD1-N 2.89Å; C97-R99 PolarHBondContact O-N 2.58Å; C97-H105 VanDerWaalsContact CA-O 3.22Å; C97-H105 WeakPolarHBondContact CA-O 3.25Å; C97-H105 VanDerWaalsContact CB-O 3.24Å; C97-H105 WeakPolarHBondContact CB-O 3.46Å
98Q57.7Low76.1Confident63 Ų6378.3 Ų78.329%0.29438%0.383SS..THydrogen-bonded Turntrans-68.3-0.9-164.3-145.2-170.1400116.1Y100 N101 T102 G104 H105Q98-Y100 PolarHBondContact O-N 2.88Å; Q98-N101 WeakPolarHBondContact CA-O 3.46Å; Q98-N101 WeakPolarHBondContact CG-O 3.44Å; Q98-T102 PolarHBondContact NE2-O 3.05Å; Q98-G104 WeakPolarHBondContact CB-O 3.29Å; Q98-G104 WeakPolarHBondContact CG-O 3.49Å; Q98-H105 PolarHBondContact N-O 3.48Å
99R47.4Very low76.3Confident201 Ų20175.6 Ų75.676%0.75837%0.366SS*.THydrogen-bonded Turntrans-61.4-18-177.6-75.8-170.6173.8-164.8-2.6115.4C97C97-R99 PolarHBondContact O-N 2.58Å
100Y44.1Very low76.5Confident221 Ų22173.7 Ų73.787%0.86735%0.352SS*.SBendtrans-1414.7-178.7-59.3-75.8000114.4Q98Q98-Y100 PolarHBondContact O-N 2.88Å
101N51.6Low76.8Confident97 Ų9772.1 Ų72.152%0.51934%0.338SS..  trans-150.9135.6-178.5-1645.2000110.1Q98 V103 G104Q98-N101 WeakPolarHBondContact CA-O 3.46Å; Q98-N101 WeakPolarHBondContact CG-O 3.44Å; N101-V103 PolarHBondContact O-N 3.38Å; N101-V103 VanDerWaalsContact O-N 3.11Å; N101-G104 PolarHBondContact O-N 3.23Å
102T60.2Low76.9Confident108 Ų10867.5 Ų67.566%0.66332%0.319SS*.THydrogen-bonded Turntrans-65.2-19.7-168.545.60000114.6Q98 R128Q98-T102 PolarHBondContact NE2-O 3.05Å; T102-R128 PolarHBondContact O-NH1 3.09Å
103V65.8Low77.1Confident39 Ų3964.6 Ų64.624%0.23630%0.301CS..THydrogen-bonded Turntrans-104-5.2-169.3-1510000113.6N101 N130 C139 T142N101-V103 PolarHBondContact O-N 3.38Å; N101-V103 VanDerWaalsContact O-N 3.11Å; V103-N130 PolarHBondContact O-ND2 3.02Å; V103-C139 HydrophobicContact CB-CB 4.43Å; V103-C139 HydrophobicContact CG1-CB 3.67Å; V103-C139 WeakPolarHBondContact CG1-SG 3.06Å; V103-T142 WeakPolarHBondContact CG1-OG1 3.46Å
104G65.7Low77.2Confident1 Ų162.2 Ų62.21%0.0129%0.289CS..  trans-69.3168175.700000113.8K96 Q98 N101K96-G104 WeakPolarHBondContact O-CA 3.38Å; Q98-G104 WeakPolarHBondContact CB-O 3.29Å; Q98-G104 WeakPolarHBondContact CG-O 3.49Å; N101-G104 PolarHBondContact O-N 3.23Å
105H79.6Confident77Confident2 Ų261.6 Ų61.61%0.00929%0.291CS..  trans-94.9159167-66-68.8000111.7C97 Q98 V108 S122 D126 R128 N130C97-H105 VanDerWaalsContact CA-O 3.22Å; C97-H105 WeakPolarHBondContact CA-O 3.25Å; C97-H105 VanDerWaalsContact CB-O 3.24Å; C97-H105 WeakPolarHBondContact CB-O 3.46Å; Q98-H105 PolarHBondContact N-O 3.48Å; H105-V108 HydrophobicContact CB-CG2 4.17Å; H105-S122 PolarHBondContact CD2-OG 2.85Å; H105-S122 PolarHBondContact NE2-O 3.41Å; H105-S122 VanDerWaalsContact NE2-O 3.11Å; H105-S122 PolarHBondContact NE2-OG 2.9Å; H105-D126 WeakPolarHBondContact CA-OD2 3.47Å; H105-D126 IonicContact CE1-OD1 3.63Å; H105-D126 IonicContact CG-OD2 2.79Å; H105-D126 IonicContact ND1-OD1 3.47Å; H105-D126 PolarHBondContact ND1-OD1 3.1Å; H105-D126 IonicContact ND1-OD2 3.67Å; H105-D126 PolarHBondContact ND1-OD2 3.1Å; H105-R128 PolarHBondContact CE1-O 2.96Å; H105-N130 PolarHBondContact CE1-ND2 3.42Å; H105-N130 PolarHBondContact NE2-ND2 3.29Å
106D82.5Confident77Confident89 Ų8964.5 Ų64.548%0.47631%0.306SS..SBendtrans-81.2-44.2165.4-91.5-20.2000112.3
107Y90.7Very high77.4Confident115 Ų11559.3 Ų59.345%0.45129%0.29SS..SBendtrans-141.6113.6179.3-66.7-86.3000108.5K77 G124 K125K77-Y107 HydrophobicContact CB-CD1 3.92Å; K77-Y107 HydrophobicContact CB-CE1 4.26Å; K77-Y107 HydrophobicContact CG-CD1 4.41Å; K77-Y107 VanDerWaalsContact O-CD1 3.24Å; K77-Y107 WeakPolarHBondContact O-CD1 3.45Å; K77-Y107 VanDerWaalsContact O-CE1 3.32Å; K77-Y107 WeakPolarHBondContact O-CE1 3.37Å; Y107-G124 VanDerWaalsContact O-CA 3.22Å; Y107-G124 WeakPolarHBondContact O-CA 3.45Å; Y107-K125 PolarHBondContact O-N 2.85Å
108V93.6Very high78.9Confident1 Ų162.2 Ų62.21%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-74.3129.1172.5-177.60000108.4T61 S76 I81 H105 I111T61-V108 WeakPolarHBondContact CB-O 3.42Å; T61-V108 WeakPolarHBondContact CG2-O 3.48Å; T61-V108 PolarHBondContact OG1-O 3.32Å; S76-V108 PolarHBondContact O-N 2.87Å; I81-V108 HydrophobicContact CD1-CG2 4.43Å; I81-V108 HydrophobicContact CG1-CG2 3.93Å; H105-V108 HydrophobicContact CB-CG2 4.17Å; V108-I111 HydrophobicContact CG1-CD1 4.21Å; V108-I111 HydrophobicContact CG1-CG1 3.91Å
109T94Very high80.7Confident32 Ų3260.7 Ų60.720%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-108-37-179.548.50000112.1G123 K125 V149T109-G123 PolarHBondContact N-O 3.33Å; T109-G123 PolarHBondContact OG1-O 3.1Å; T109-G123 VanDerWaalsContact OG1-O 3.11Å; T109-K125 HydrophobicContact CG2-CB 4.16Å; T109-V149 WeakPolarHBondContact CB-O 3.29Å; T109-V149 PolarHBondContact OG1-O 3.12Å
110S94.3Very high82.9Confident7 Ų751.1 Ų51.15%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-144.2149.6-17449.50000111.5S122 G123S110-S122 WeakPolarHBondContact O-CA 3.45Å; S110-G123 PolarHBondContact N-O 3.41Å; S110-G123 PolarHBondContact O-N 2.98Å
111I95.4Very high85.4Confident11 Ų1140.6 Ų40.66%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-137.1140.7174.1-68-172.2000109S62 A64 V73 G75 I81 V108 L120 C121S62-I111 PolarHBondContact OG-N 2.86Å; A64-I111 HydrophobicContact CB-CG2 3.89Å; V73-I111 HydrophobicContact CG1-CD1 3.93Å; V73-I111 HydrophobicContact CG1-CG2 4.21Å; G75-I111 VanDerWaalsContact N-CD1 3.33Å; I81-I111 HydrophobicContact CD1-CD1 4.42Å; I81-I111 HydrophobicContact CG1-CD1 4.2Å; I81-I111 HydrophobicContact CG2-CD1 3.69Å; V108-I111 HydrophobicContact CG1-CD1 4.21Å; V108-I111 HydrophobicContact CG1-CG1 3.91Å; I111-L120 HydrophobicContact CG2-CD1 3.52Å; I111-C121 CarbonylContact C-O 3.58Å; I111-C121 WeakPolarHBondContact CA-O 3.26Å
112A95.1Very high87.4Confident10 Ų1036 Ų368%0.08319%0.194CC..EExtended strand (participates in β ladder)trans-135.7157.7165.500000110.3C121 L152 V154 L161A112-C121 PolarHBondContact N-O 3.45Å; A112-C121 PolarHBondContact O-N 2.81Å; A112-L152 HydrophobicContact CB-CB 3.97Å; A112-V154 HydrophobicContact CB-CG2 3.96Å; A112-L161 HydrophobicContact CB-CD1 4.4Å
113L94.4Very high89.1Confident21 Ų2130.9 Ų30.911%0.1116%0.163CC..EExtended strand (participates in β ladder)trans-120.7144.7175.5-75.4164.2000109A64 L65 T66 V73 L120 F134A64-L113 HydrophobicContact CB-CD1 3.81Å; A64-L113 HydrophobicContact CB-CG 4.13Å; L65-L113 WeakPolarHBondContact O-CD1 3.06Å; T66-L113 HydrophobicContact CG2-CD1 4.18Å; V73-L113 HydrophobicContact CG2-CD1 4.02Å; V73-L113 HydrophobicContact CG2-CD2 4.28Å; L113-L120 HydrophobicContact CD2-CB 4.04Å; L113-L120 HydrophobicContact CD2-CD1 3.88Å; L113-L120 HydrophobicContact CG-CD1 4.43Å; L113-F134 HydrophobicContact CD2-CD2 3.7Å; L113-F134 HydrophobicContact CD2-CE2 3.74Å; L113-F134 HydrophobicContact CD2-CG 4.43Å; L113-F134 HydrophobicContact CD2-CZ 4.48Å
114S92.9Very high90.4Very high5 Ų529 Ų294%0.03515%0.152CC..  trans-72.6149.7166.661.80000110.9D116 G117 N118 F119S114-D116 VanDerWaalsContact C-N 3.31Å; S114-D116 WeakPolarHBondContact CB-OD1 3.15Å; S114-D116 PolarHBondContact O-N 3.37Å; S114-D116 PolarHBondContact OG-OD1 2.83Å; S114-G117 PolarHBondContact O-N 3.42Å; S114-G117 VanDerWaalsContact O-N 3.09Å; S114-N118 PolarHBondContact OG-N 3.14Å; S114-F119 PolarHBondContact N-O 2.78Å; S114-F119 PolarHBondContact OG-N 2.87Å; S114-F119 PolarHBondContact OG-O 2.74Å
115Q86.9Confident91.6Very high99 Ų9935.2 Ų35.246%0.46318%0.178SC..THydrogen-bonded Turntrans-76.1-20.6-174.6-65.2-158.2-29.600113.8G117Q115-G117 PolarHBondContact O-N 3.21Å
116D87Confident92.1Very high71 Ų7137.1 Ų37.138%0.3819%0.189SC..THydrogen-bonded Turntrans-72.2-11.416864.22.3000113S114 N118 N159S114-D116 VanDerWaalsContact C-N 3.31Å; S114-D116 WeakPolarHBondContact CB-OD1 3.15Å; S114-D116 PolarHBondContact O-N 3.37Å; S114-D116 PolarHBondContact OG-OD1 2.83Å; D116-N118 VanDerWaalsContact C-N 3.27Å; D116-N118 PolarHBondContact O-N 3.16Å; D116-N118 PolarHBondContact OD1-N 3.18Å; D116-N118 PolarHBondContact OD2-ND2 2.95Å; D116-N159 PolarHBondContact OD2-ND2 2.84Å; D116-N159 VanDerWaalsContact OD2-ND2 3.17Å
117G86.9Confident92.6Very high23 Ų2333 Ų3324%0.23717%0.167CC..SBendtrans781.3-178.400000115S114 Q115 F134S114-G117 PolarHBondContact O-N 3.42Å; S114-G117 VanDerWaalsContact O-N 3.09Å; Q115-G117 PolarHBondContact O-N 3.21Å; G117-F134 VanDerWaalsContact O-CB 3.25Å; G117-F134 WeakPolarHBondContact O-CB 3.41Å; G117-F134 WeakPolarHBondContact O-CD1 3.37Å; G117-F134 WeakPolarHBondContact O-CG 3.36Å
118N91.9Very high92.7Very high91 Ų9130.4 Ų30.449%0.48716%0.156SC..  trans-77-34.3-174.7-68.3-46.1000113.4S114 D116 F134S114-N118 PolarHBondContact OG-N 3.14Å; D116-N118 VanDerWaalsContact C-N 3.27Å; D116-N118 PolarHBondContact O-N 3.16Å; D116-N118 PolarHBondContact OD1-N 3.18Å; D116-N118 PolarHBondContact OD2-ND2 2.95Å; N118-F134 WeakPolarHBondContact O-CB 3.49Å; N118-F134 PolarHBondContact O-N 2.95Å
119F94.2Very high92.7Very high31 Ų3130.3 Ų30.314%0.13616%0.156CC..EExtended strand (participates in β ladder)trans-121.7131.3-168.9-54.2-60.3000113.1S114 I131 W132 L140 L175 F178S114-F119 PolarHBondContact N-O 2.78Å; S114-F119 PolarHBondContact OG-N 2.87Å; S114-F119 PolarHBondContact OG-O 2.74Å; F119-I131 HydrophobicContact CB-CG2 4.28Å; F119-I131 HydrophobicContact CD1-CG2 4.23Å; F119-I131 HydrophobicContact CG-CG2 4.47Å; F119-W132 WeakPolarHBondContact CA-O 3.47Å; F119-L140 HydrophobicContact CD1-CD1 3.89Å; F119-L140 HydrophobicContact CE1-CD1 3.65Å; F119-L175 HydrophobicContact CD2-CB 3.96Å; F119-L175 HydrophobicContact CD2-CD1 4.3Å; F119-L175 HydrophobicContact CE2-CB 4.2Å; F119-F178 HydrophobicContact CD1-CE1 4.12Å; F119-F178 HydrophobicContact CD1-CZ 4.47Å; F119-F178 AromaticContact CE1-CE1 3.77Å; F119-F178 HydrophobicContact CE1-CE1 3.77Å; F119-F178 AromaticContact CE1-CZ 3.78Å; F119-F178 HydrophobicContact CE1-CZ 3.78Å; F119-F178 HydrophobicContact CZ-CE1 4.11Å; F119-F178 HydrophobicContact CZ-CZ 4.18Å
120L94.9Very high92.7Very high0 Ų028.8 Ų28.80%015%0.146CC..EExtended strand (participates in β ladder)trans-103.2126.9166.5167.663000108.8V73 I81 I83 L95 I111 L113 I131 W132 F134V73-L120 HydrophobicContact CG1-CD1 3.93Å; V73-L120 HydrophobicContact CG1-CD2 4.25Å; I81-L120 HydrophobicContact CG2-CD2 4.24Å; I83-L120 HydrophobicContact CD1-CD2 4.48Å; L95-L120 HydrophobicContact CD1-CD2 3.61Å; I111-L120 HydrophobicContact CG2-CD1 3.52Å; L113-L120 HydrophobicContact CD2-CB 4.04Å; L113-L120 HydrophobicContact CD2-CD1 3.88Å; L113-L120 HydrophobicContact CG-CD1 4.43Å; L120-I131 WeakPolarHBondContact O-CA 3.22Å; L120-W132 HydrophobicContact CB-CB 4.27Å; L120-W132 PolarHBondContact N-O 2.95Å; L120-W132 PolarHBondContact O-N 3.06Å; L120-F134 HydrophobicContact CB-CD2 4.21Å
121C95.3Very high92.7Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-111127175.8-62.30000109.5I111 A112 N130 L152 L161I111-C121 CarbonylContact C-O 3.58Å; I111-C121 WeakPolarHBondContact CA-O 3.26Å; A112-C121 PolarHBondContact N-O 3.45Å; A112-C121 PolarHBondContact O-N 2.81Å; C121-N130 WeakPolarHBondContact CA-O 3.5Å; C121-L152 HydrophobicContact CB-CD1 4.12Å; C121-L161 HydrophobicContact CB-CD1 4.09Å; C121-L161 HydrophobicContact CB-CD2 4.12Å
122S95.2Very high92.6Very high0 Ų028.7 Ų28.70%014%0.144CC..EExtended strand (participates in β ladder)trans-125.5131.4176.564.40000111.8I81 H105 S110 I129 N130 W132I81-S122 VanDerWaalsContact CD1-CB 3.42Å; H105-S122 PolarHBondContact CD2-OG 2.85Å; H105-S122 PolarHBondContact NE2-O 3.41Å; H105-S122 VanDerWaalsContact NE2-O 3.11Å; H105-S122 PolarHBondContact NE2-OG 2.9Å; S110-S122 WeakPolarHBondContact O-CA 3.45Å; S122-I129 CarbonylContact O-C 3.57Å; S122-I129 VanDerWaalsContact O-CA 3.26Å; S122-I129 WeakPolarHBondContact O-CA 3.45Å; S122-N130 PolarHBondContact N-O 2.8Å; S122-N130 PolarHBondContact O-N 3.25Å; S122-W132 PolarHBondContact OG-NE1 3.29Å
123G94.6Very high92.5Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-102.2144.6175.200000111.1T109 S110 R128 L152T109-G123 PolarHBondContact N-O 3.33Å; T109-G123 PolarHBondContact OG1-O 3.1Å; T109-G123 VanDerWaalsContact OG1-O 3.11Å; S110-G123 PolarHBondContact N-O 3.41Å; S110-G123 PolarHBondContact O-N 2.98Å; G123-R128 WeakPolarHBondContact CA-O 3.2Å; G123-L152 VanDerWaalsContact N-CD1 3.34Å
124G92.8Very high92.5Very high0 Ų029.6 Ų29.60%015%0.147CC..EExtended strand (participates in β ladder)trans-129.2162.2179.900000115Y107 D126 G127 R128 V149Y107-G124 VanDerWaalsContact O-CA 3.22Å; Y107-G124 WeakPolarHBondContact O-CA 3.45Å; G124-D126 WeakPolarHBondContact CA-OD1 2.96Å; G124-D126 PolarHBondContact O-N 2.91Å; G124-G127 PolarHBondContact O-N 3.04Å; G124-R128 PolarHBondContact N-O 3.43Å; G124-V149 PolarHBondContact O-N 2.87Å
125K91.5Very high92.4Very high131 Ų13135.6 Ų35.657%0.5718%0.175SC*.THydrogen-bonded Turntrans-68.4-15.8174.6-168.2169.5-179.7173.10113.4Y107 T109 G127 G148Y107-K125 PolarHBondContact O-N 2.85Å; T109-K125 HydrophobicContact CG2-CB 4.16Å; K125-G127 PolarHBondContact O-N 3.37Å; K125-G148 WeakPolarHBondContact O-CA 3.39Å
126D90.2Very high92.5Very high43 Ų4334.5 Ų34.523%0.2318%0.175CC..THydrogen-bonded Turntrans-69.1-5.6167.653.910.8000113.9H105 G124 R128 Q144H105-D126 WeakPolarHBondContact CA-OD2 3.47Å; H105-D126 IonicContact CE1-OD1 3.63Å; H105-D126 IonicContact CG-OD2 2.79Å; H105-D126 IonicContact ND1-OD1 3.47Å; H105-D126 PolarHBondContact ND1-OD1 3.1Å; H105-D126 IonicContact ND1-OD2 3.67Å; H105-D126 PolarHBondContact ND1-OD2 3.1Å; G124-D126 WeakPolarHBondContact CA-OD1 2.96Å; G124-D126 PolarHBondContact O-N 2.91Å; D126-R128 HydrophobicContact CB-CG 4.47Å; D126-R128 PolarHBondContact O-N 2.94Å; D126-R128 WeakPolarHBondContact OD1-CB 3.38Å; D126-R128 PolarHBondContact OD1-N 2.7Å; D126-Q144 PolarHBondContact O-NE2 3.12Å
127G92.2Very high92.6Very high1 Ų131.8 Ų31.81%0.0116%0.164CC..SBendtrans78.64.6-176.800000113.5G124 K125 Q144 H145 G147G124-G127 PolarHBondContact O-N 3.04Å; K125-G127 PolarHBondContact O-N 3.37Å; G127-Q144 VanDerWaalsContact C-NE2 3.3Å; G127-Q144 PolarHBondContact O-NE2 2.64Å; G127-Q144 VanDerWaalsContact O-NE2 3.16Å; G127-H145 PolarHBondContact O-N 3.08Å; G127-G147 VanDerWaalsContact CA-O 3.26Å; G127-G147 WeakPolarHBondContact CA-O 3.27Å
128R93.2Very high92.8Very high61 Ų6137.2 Ų37.223%0.2318%0.183CC..EExtended strand (participates in β ladder)trans-84147.6177.8-67.3173.2171-159.9-6.8110.6T102 H105 G123 G124 D126 T142 L143 V149T102-R128 PolarHBondContact O-NH1 3.09Å; H105-R128 PolarHBondContact CE1-O 2.96Å; G123-R128 WeakPolarHBondContact CA-O 3.2Å; G124-R128 PolarHBondContact N-O 3.43Å; D126-R128 HydrophobicContact CB-CG 4.47Å; D126-R128 PolarHBondContact O-N 2.94Å; D126-R128 WeakPolarHBondContact OD1-CB 3.38Å; D126-R128 PolarHBondContact OD1-N 2.7Å; R128-T142 HydrophobicContact CB-CG2 4.07Å; R128-T142 HydrophobicContact CG-CG2 3.96Å; R128-L143 WeakPolarHBondContact CA-O 3.28Å; R128-V149 WeakPolarHBondContact O-CG2 3.4Å
129I94.6Very high92.8Very high0 Ų034.8 Ų34.80%017%0.173CC..EExtended strand (participates in β ladder)trans-116117157.8-53.9168.7000106.4S122 T142 L143 V149 L152 L161 W173S122-I129 CarbonylContact O-C 3.57Å; S122-I129 VanDerWaalsContact O-CA 3.26Å; S122-I129 WeakPolarHBondContact O-CA 3.45Å; I129-T142 CarbonylContact O-C 3.58Å; I129-T142 WeakPolarHBondContact O-CA 3.33Å; I129-L143 HydrophobicContact CB-CB 4.24Å; I129-L143 PolarHBondContact N-O 3.27Å; I129-L143 PolarHBondContact O-N 3.26Å; I129-V149 HydrophobicContact CG1-CG1 4.36Å; I129-V149 HydrophobicContact CG1-CG2 3.79Å; I129-L152 HydrophobicContact CD1-CD2 3.89Å; I129-L152 HydrophobicContact CG1-CD2 4.19Å; I129-L152 HydrophobicContact CG2-CD1 4.23Å; I129-L152 HydrophobicContact CG2-CD2 4.22Å; I129-L161 HydrophobicContact CG2-CD2 4.1Å; I129-W173 HydrophobicContact CD1-CZ2 4.38Å
130N93.8Very high92.7Very high0 Ų036.7 Ų36.70%018%0.184CC..EExtended strand (participates in β ladder)trans-97.7131.9172.4-73-50000109.7V103 H105 C121 S122 W132 T142V103-N130 PolarHBondContact O-ND2 3.02Å; H105-N130 PolarHBondContact CE1-ND2 3.42Å; H105-N130 PolarHBondContact NE2-ND2 3.29Å; C121-N130 WeakPolarHBondContact CA-O 3.5Å; S122-N130 PolarHBondContact N-O 2.8Å; S122-N130 PolarHBondContact O-N 3.25Å; N130-W132 HydrophobicContact CB-CZ2 3.7Å; N130-T142 WeakPolarHBondContact OD1-CB 3.3Å; N130-T142 WeakPolarHBondContact OD1-CG2 3.32Å; N130-T142 PolarHBondContact OD1-OG1 2.94Å
131I94.4Very high92.6Very high0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-103.1125.7170.5-55.6178000107.1F119 L120 C139 L140 K141 L143 L175 F178F119-I131 HydrophobicContact CB-CG2 4.28Å; F119-I131 HydrophobicContact CD1-CG2 4.23Å; F119-I131 HydrophobicContact CG-CG2 4.47Å; L120-I131 WeakPolarHBondContact O-CA 3.22Å; I131-C139 CarbonylContact O-C 3.56Å; I131-C139 WeakPolarHBondContact O-CA 3.32Å; I131-C139 PolarHBondContact O-SG 2.89Å; I131-L140 PolarHBondContact O-N 3.23Å; I131-K141 HydrophobicContact CB-CB 4.35Å; I131-K141 PolarHBondContact N-O 3.2Å; I131-K141 PolarHBondContact O-N 2.67Å; I131-L143 HydrophobicContact CD1-CD1 3.72Å; I131-L143 HydrophobicContact CD1-CG 4.44Å; I131-L143 HydrophobicContact CG1-CD1 4.39Å; I131-L175 HydrophobicContact CD1-CD2 3.79Å; I131-F178 HydrophobicContact CB-CD1 4.45Å; I131-F178 HydrophobicContact CD1-CB 4.43Å; I131-F178 HydrophobicContact CD1-CD1 3.72Å; I131-F178 HydrophobicContact CD1-CG 4.47Å; I131-F178 HydrophobicContact CG2-CD1 4Å; I131-F178 HydrophobicContact CG2-CE1 3.8Å
132W93.5Very high92.4Very high16 Ų1643.8 Ų43.86%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-119.2143.3-178-42.879.7000109.5L95 F119 L120 S122 N130 F134 E138 C139L95-W132 HydrophobicContact CB-CH2 4.5Å; L95-W132 HydrophobicContact CB-CZ3 4.38Å; L95-W132 HydrophobicContact CD1-CB 4.27Å; L95-W132 HydrophobicContact CD1-CD2 3.7Å; L95-W132 HydrophobicContact CD1-CE3 3.91Å; L95-W132 HydrophobicContact CD1-CG 3.85Å; L95-W132 HydrophobicContact CD2-CE3 4.5Å; F119-W132 WeakPolarHBondContact CA-O 3.47Å; L120-W132 HydrophobicContact CB-CB 4.27Å; L120-W132 PolarHBondContact N-O 2.95Å; L120-W132 PolarHBondContact O-N 3.06Å; S122-W132 PolarHBondContact OG-NE1 3.29Å; N130-W132 HydrophobicContact CB-CZ2 3.7Å; W132-F134 PolarHBondContact O-N 3.49Å; W132-E138 CarbonylContact C-O 3.6Å; W132-E138 VanDerWaalsContact CA-O 3.27Å; W132-E138 WeakPolarHBondContact CA-O 3.38Å; W132-C139 HydrophobicContact CD2-CB 4.11Å; W132-C139 HydrophobicContact CE3-CB 3.58Å; W132-C139 HydrophobicContact CH2-CB 4.33Å; W132-C139 HydrophobicContact CZ3-CB 3.71Å
133D93.2Very high92.3Very high44 Ų4444.5 Ų44.524%0.23522%0.223CC..EExtended strand (participates in β ladder)trans-61.3128.7157.3172.2-27.4000108E135 T136 G137 E138 L140D133-E135 PolarHBondContact OD1-N 2.99Å; D133-T136 VanDerWaalsContact CB-OG1 3.24Å; D133-T136 WeakPolarHBondContact CB-OG1 3.44Å; D133-T136 PolarHBondContact OD1-N 3.37Å; D133-T136 PolarHBondContact OD1-OG1 3.2Å; D133-T136 VanDerWaalsContact OD2-CG2 3.24Å; D133-T136 WeakPolarHBondContact OD2-CG2 3.12Å; D133-T136 PolarHBondContact OD2-OG1 2.91Å; D133-G137 WeakPolarHBondContact O-CA 3.47Å; D133-G137 PolarHBondContact O-N 3.04Å; D133-E138 PolarHBondContact N-O 2.89Å; D133-L140 HydrophobicContact CB-CD1 4.14Å; D133-L140 HydrophobicContact CB-CD2 4.22Å; D133-L140 HydrophobicContact CB-CG 4.22Å
134F92.6Very high92.2Very high5 Ų549.3 Ų49.32%0.02225%0.246CC..THydrogen-bonded Turntrans-76-26.1-173.4-180-115.4000114.5T66 K71 V73 I83 L113 G117 N118 L120 W132T66-F134 HydrophobicContact CG2-CE1 3.54Å; T66-F134 HydrophobicContact CG2-CE2 4.33Å; T66-F134 HydrophobicContact CG2-CZ 3.33Å; K71-F134 HydrophobicContact CB-CZ 3.98Å; K71-F134 HydrophobicContact CD-CE1 3.48Å; K71-F134 VanDerWaalsContact CD-CE1 3.48Å; K71-F134 HydrophobicContact CD-CZ 3.45Å; K71-F134 VanDerWaalsContact CD-CZ 3.45Å; K71-F134 HydrophobicContact CG-CZ 4.39Å; V73-F134 HydrophobicContact CG2-CE2 3.73Å; V73-F134 HydrophobicContact CG2-CZ 4.48Å; I83-F134 HydrophobicContact CD1-CD2 3.95Å; I83-F134 HydrophobicContact CD1-CE2 3.86Å; I83-F134 HydrophobicContact CG1-CE2 4.49Å; I83-F134 HydrophobicContact CG2-CE2 4.15Å; I83-F134 HydrophobicContact CG2-CZ 4.28Å; L113-F134 HydrophobicContact CD2-CD2 3.7Å; L113-F134 HydrophobicContact CD2-CE2 3.74Å; L113-F134 HydrophobicContact CD2-CG 4.43Å; L113-F134 HydrophobicContact CD2-CZ 4.48Å; G117-F134 VanDerWaalsContact O-CB 3.25Å; G117-F134 WeakPolarHBondContact O-CB 3.41Å; G117-F134 WeakPolarHBondContact O-CD1 3.37Å; G117-F134 WeakPolarHBondContact O-CG 3.36Å; N118-F134 WeakPolarHBondContact O-CB 3.49Å; N118-F134 PolarHBondContact O-N 2.95Å; L120-F134 HydrophobicContact CB-CD2 4.21Å; W132-F134 PolarHBondContact O-N 3.49Å
135E90.9Very high92.2Very high131 Ų13149.5 Ų49.561%0.61225%0.247SC*.THydrogen-bonded Turntrans-95.1-39.2-179.4-64.6-60.215500112.1K71 D133K71-E135 IonicContact NZ-OE1 3.61Å; K71-E135 PolarHBondContact NZ-OE1 2.86Å; K71-E135 IonicContact NZ-OE2 2.62Å; K71-E135 PolarHBondContact NZ-OE2 2.8Å; D133-E135 PolarHBondContact OD1-N 2.99Å
136T90.5Very high92.3Very high77 Ų7751.7 Ų51.747%0.47226%0.259SS..THydrogen-bonded Turntrans-84.7-30.2176.968.30000112.9D133 E138D133-T136 VanDerWaalsContact CB-OG1 3.24Å; D133-T136 WeakPolarHBondContact CB-OG1 3.44Å; D133-T136 PolarHBondContact OD1-N 3.37Å; D133-T136 PolarHBondContact OD1-OG1 3.2Å; D133-T136 VanDerWaalsContact OD2-CG2 3.24Å; D133-T136 WeakPolarHBondContact OD2-CG2 3.12Å; D133-T136 PolarHBondContact OD2-OG1 2.91Å; T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 PolarHBondContact OG1-N 2.88Å
137G89.3Confident92.4Very high13 Ų1350.4 Ų50.413%0.13426%0.256CS..  trans7412.3-171.700000114.5D133D133-G137 WeakPolarHBondContact O-CA 3.47Å; D133-G137 PolarHBondContact O-N 3.04Å
138E90Very high92.4Very high137 Ų13750.9 Ų50.964%0.6426%0.26SS*.  trans-74.2138.2172.7-64.4-165.4167.200110.6W132 D133 T136 L140W132-E138 CarbonylContact C-O 3.6Å; W132-E138 VanDerWaalsContact CA-O 3.27Å; W132-E138 WeakPolarHBondContact CA-O 3.38Å; D133-E138 PolarHBondContact N-O 2.89Å; T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 PolarHBondContact OG1-N 2.88Å; E138-L140 PolarHBondContact O-N 3Å
139C91.3Very high92.5Very high40 Ų4048 Ų4827%0.2725%0.25SC..EExtended strand (participates in β ladder)trans-81.8112.9174.9-172.50000109.9V103 I131 W132 K141V103-C139 HydrophobicContact CB-CB 4.43Å; V103-C139 HydrophobicContact CG1-CB 3.67Å; V103-C139 WeakPolarHBondContact CG1-SG 3.06Å; I131-C139 CarbonylContact O-C 3.56Å; I131-C139 WeakPolarHBondContact O-CA 3.32Å; I131-C139 PolarHBondContact O-SG 2.89Å; W132-C139 HydrophobicContact CD2-CB 4.11Å; W132-C139 HydrophobicContact CE3-CB 3.58Å; W132-C139 HydrophobicContact CH2-CB 4.33Å; W132-C139 HydrophobicContact CZ3-CB 3.71Å; C139-K141 PolarHBondContact SG-O 3.11Å
140L92.2Very high92.6Very high71 Ų7149.2 Ų49.237%0.37226%0.257SS..EExtended strand (participates in β ladder)trans-79.4-33.4-179.3-54.4178.6000111.5F119 I131 D133 E138 F178F119-L140 HydrophobicContact CD1-CD1 3.89Å; F119-L140 HydrophobicContact CE1-CD1 3.65Å; I131-L140 PolarHBondContact O-N 3.23Å; D133-L140 HydrophobicContact CB-CD1 4.14Å; D133-L140 HydrophobicContact CB-CD2 4.22Å; D133-L140 HydrophobicContact CB-CG 4.22Å; E138-L140 PolarHBondContact O-N 3Å; L140-F178 HydrophobicContact CB-CE1 4.42Å; L140-F178 HydrophobicContact CB-CE2 4.03Å; L140-F178 HydrophobicContact CB-CZ 3.87Å; L140-F178 HydrophobicContact CD1-CE1 4.26Å; L140-F178 HydrophobicContact CD1-CE2 4.44Å; L140-F178 HydrophobicContact CD1-CZ 3.64Å; L140-F178 HydrophobicContact CG-CZ 4.41Å
141K92.5Very high92.6Very high94 Ų9449.4 Ų49.441%0.40926%0.259SS..EExtended strand (participates in β ladder)trans-155.8139-178.4-162.278.8170.3-168.10112.7I131 C139 L143 F178I131-K141 HydrophobicContact CB-CB 4.35Å; I131-K141 PolarHBondContact N-O 3.2Å; I131-K141 PolarHBondContact O-N 2.67Å; C139-K141 PolarHBondContact SG-O 3.11Å; K141-L143 HydrophobicContact CG-CD2 3.8Å; K141-L143 HydrophobicContact CG-CG 4.21Å; K141-F178 HydrophobicContact CB-CB 3.86Å; K141-F178 HydrophobicContact CB-CD1 4.42Å; K141-F178 HydrophobicContact CB-CD2 4.3Å; K141-F178 HydrophobicContact CB-CG 3.93Å; K141-F178 HydrophobicContact CD-CB 4Å; K141-F178 HydrophobicContact CG-CB 3.72Å; K141-F178 HydrophobicContact CG-CG 4.34Å
142T92.6Very high92.7Very high56 Ų5650.1 Ų50.134%0.34426%0.263SS..EExtended strand (participates in β ladder)trans-101.8129.4157.3-51.10000109.7V103 R128 I129 N130V103-T142 WeakPolarHBondContact CG1-OG1 3.46Å; R128-T142 HydrophobicContact CB-CG2 4.07Å; R128-T142 HydrophobicContact CG-CG2 3.96Å; I129-T142 CarbonylContact O-C 3.58Å; I129-T142 WeakPolarHBondContact O-CA 3.33Å; N130-T142 WeakPolarHBondContact OD1-CB 3.3Å; N130-T142 WeakPolarHBondContact OD1-CG2 3.32Å; N130-T142 PolarHBondContact OD1-OG1 2.94Å
143L92.7Very high92.8Very high14 Ų1450 Ų507%0.07326%0.264CS..EExtended strand (participates in β ladder)trans-110.8164.8169.1-51.2169.3000108.6R128 I129 I131 K141 W173R128-L143 WeakPolarHBondContact CA-O 3.28Å; I129-L143 HydrophobicContact CB-CB 4.24Å; I129-L143 PolarHBondContact N-O 3.27Å; I129-L143 PolarHBondContact O-N 3.26Å; I131-L143 HydrophobicContact CD1-CD1 3.72Å; I131-L143 HydrophobicContact CD1-CG 4.44Å; I131-L143 HydrophobicContact CG1-CD1 4.39Å; K141-L143 HydrophobicContact CG-CD2 3.8Å; K141-L143 HydrophobicContact CG-CG 4.21Å; L143-W173 HydrophobicContact CB-CE3 4.36Å; L143-W173 HydrophobicContact CB-CH2 4.1Å; L143-W173 HydrophobicContact CB-CZ2 4.37Å; L143-W173 HydrophobicContact CB-CZ3 4.08Å; L143-W173 HydrophobicContact CD1-CB 4.29Å; L143-W173 HydrophobicContact CD1-CD2 3.7Å; L143-W173 HydrophobicContact CD1-CE3 3.71Å; L143-W173 HydrophobicContact CD1-CG 3.95Å; L143-W173 HydrophobicContact CD1-CZ3 4.28Å; L143-W173 HydrophobicContact CD2-CE3 3.98Å; L143-W173 HydrophobicContact CD2-CZ3 4Å; L143-W173 HydrophobicContact CG-CE3 4.23Å; L143-W173 HydrophobicContact CG-CZ3 4.35Å
144Q92.2Very high92.9Very high101 Ų10148.5 Ų48.547%0.47226%0.257SS..EExtended strand (participates in β ladder)trans-141.7134.5-168.4-17368.856.500112.5D126 G127D126-Q144 PolarHBondContact O-NE2 3.12Å; G127-Q144 VanDerWaalsContact C-NE2 3.3Å; G127-Q144 PolarHBondContact O-NE2 2.64Å; G127-Q144 VanDerWaalsContact O-NE2 3.16Å
145H92.8Very high92.9Very high5 Ų549.6 Ų49.62%0.02326%0.261CS..  trans-100.1163.6164.5-92.8-98.1000110.9G127 G147 V149 S163 D167 S169G127-H145 PolarHBondContact O-N 3.08Å; H145-G147 VanDerWaalsContact C-N 3.33Å; H145-G147 VanDerWaalsContact CB-O 3.23Å; H145-G147 WeakPolarHBondContact CB-O 3.21Å; H145-V149 HydrophobicContact CB-CG2 4.38Å; H145-S163 PolarHBondContact NE2-OG 2.81Å; H145-D167 WeakPolarHBondContact CB-OD2 3.15Å; H145-D167 IonicContact CG-OD2 3.4Å; H145-D167 IonicContact ND1-OD1 3.99Å; H145-D167 PolarHBondContact ND1-OD1 3.01Å; H145-D167 IonicContact ND1-OD2 2.81Å; H145-D167 PolarHBondContact ND1-OD2 3.29Å; H145-S169 PolarHBondContact CE1-OG 3.11Å; H145-S169 PolarHBondContact ND1-OG 3.46Å
146E92.7Very high92.7Very high176 Ų17645.3 Ų45.382%0.82224%0.243SC*.SBendtrans-80.8-17.3176.3-64.7-177.5-178.700112.3D167E146-D167 HydrophobicContact CB-CB 3.94Å; E146-D167 PolarHBondContact N-OD2 2.81Å
147G92.4Very high92.5Very high17 Ų1744.5 Ų44.518%0.17525%0.25CS..SBendtrans-133.8170.8171.300000112.2G127 H145 V149 D167G127-G147 VanDerWaalsContact CA-O 3.26Å; G127-G147 WeakPolarHBondContact CA-O 3.27Å; H145-G147 VanDerWaalsContact C-N 3.33Å; H145-G147 VanDerWaalsContact CB-O 3.23Å; H145-G147 WeakPolarHBondContact CB-O 3.21Å; G147-V149 PolarHBondContact O-N 2.9Å; G147-D167 PolarHBondContact N-OD2 2.04Å
148G93.4Very high92.5Very high10 Ų1047.7 Ų47.710%0.10326%0.262CS..  trans-54.1134.2178.100000112.6K125 G165 N166K125-G148 WeakPolarHBondContact O-CA 3.39Å; G148-G165 WeakPolarHBondContact O-CA 3.15Å; G148-N166 PolarHBondContact O-N 3.4Å; G148-N166 PolarHBondContact O-ND2 3.42Å
149V95.8Very high92.6Very high0 Ų042.7 Ų42.70%024%0.239CC..EExtended strand (participates in β ladder)trans-70139.5178.4-173.10000109.2T109 G124 R128 I129 H145 G147 L152 C164T109-V149 WeakPolarHBondContact CB-O 3.29Å; T109-V149 PolarHBondContact OG1-O 3.12Å; G124-V149 PolarHBondContact O-N 2.87Å; R128-V149 WeakPolarHBondContact O-CG2 3.4Å; I129-V149 HydrophobicContact CG1-CG1 4.36Å; I129-V149 HydrophobicContact CG1-CG2 3.79Å; H145-V149 HydrophobicContact CB-CG2 4.38Å; G147-V149 PolarHBondContact O-N 2.9Å; V149-L152 HydrophobicContact CG1-CD2 4.14Å; V149-L152 HydrophobicContact CG1-CG 4.36Å; V149-C164 WeakPolarHBondContact CG1-O 3.13Å
150T95.1Very high92.8Very high27 Ų2742.1 Ų42.117%0.16623%0.233CC..EExtended strand (participates in β ladder)trans-114.6-36.6-178.145.70000112.7C164 N166 V191T150-C164 PolarHBondContact N-O 2.99Å; T150-C164 PolarHBondContact OG1-O 3.28Å; T150-C164 VanDerWaalsContact OG1-O 3.11Å; T150-C164 PolarHBondContact OG1-SG 2.87Å; T150-N166 VanDerWaalsContact CG2-ND2 3.31Å; T150-N166 WeakPolarHBondContact CG2-ND2 3.49Å; T150-V191 VanDerWaalsContact CB-O 3.3Å; T150-V191 WeakPolarHBondContact CB-O 3.41Å; T150-V191 WeakPolarHBondContact CG2-O 3.37Å; T150-V191 PolarHBondContact OG1-O 3.17Å
151G95.3Very high92.9Very high3 Ų338.7 Ų38.73%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-142.1154.1178.700000113.1C164 V194G151-C164 PolarHBondContact N-O 2.76Å; G151-C164 PolarHBondContact O-N 3.27Å; G151-V194 VanDerWaalsContact C-CG1 3.48Å
152L96.6Very high93.1Very high16 Ų1634.2 Ų34.28%0.08420%0.195CC..EExtended strand (participates in β ladder)trans-138.2141.7171.9-68.9179.9000108.3A112 C121 G123 I129 V149 L161 F162 S163A112-L152 HydrophobicContact CB-CB 3.97Å; C121-L152 HydrophobicContact CB-CD1 4.12Å; G123-L152 VanDerWaalsContact N-CD1 3.34Å; I129-L152 HydrophobicContact CD1-CD2 3.89Å; I129-L152 HydrophobicContact CG1-CD2 4.19Å; I129-L152 HydrophobicContact CG2-CD1 4.23Å; I129-L152 HydrophobicContact CG2-CD2 4.22Å; V149-L152 HydrophobicContact CG1-CD2 4.14Å; V149-L152 HydrophobicContact CG1-CG 4.36Å; L152-L161 HydrophobicContact CB-CD1 4.33Å; L152-L161 HydrophobicContact CD2-CD1 4.26Å; L152-L161 HydrophobicContact CD2-CD2 4.34Å; L152-L161 HydrophobicContact CD2-CG 4.48Å; L152-F162 WeakPolarHBondContact CA-O 3.47Å; L152-S163 VanDerWaalsContact CD2-CB 3.48Å
153S95.5Very high93.4Very high12 Ų1231.6 Ų31.68%0.08418%0.179CC..EExtended strand (participates in β ladder)trans-147.9131.4173.1-179.20000108.9F162 S196S153-F162 PolarHBondContact N-O 2.7Å; S153-F162 PolarHBondContact O-N 3.22Å; S153-S196 PolarHBondContact OG-N 3.09Å; S153-S196 VanDerWaalsContact OG-N 3.11Å; S153-S196 PolarHBondContact OG-OG 3.49Å
154V94.2Very high93.6Very high14 Ų1430.9 Ų30.99%0.08518%0.176CC..EExtended strand (participates in β ladder)trans-97.2130.6173.4175.80000108.5A112 E160 L161 L175A112-V154 HydrophobicContact CB-CG2 3.96Å; V154-E160 WeakPolarHBondContact CA-O 3.32Å; V154-L161 HydrophobicContact CG2-CD1 3.61Å; V154-L175 HydrophobicContact CG1-CD1 4.35Å; V154-L175 HydrophobicContact CG2-CD1 4.29Å
155R92.9Very high93.7Very high28 Ų2826.1 Ų26.111%0.10615%0.153CC..PPolyproline II helixtrans-62132.3-179.2-173.3-173.8166.3-160.4-10.3110.3G157 H158 E160 F162 S196 L197 A198 R199R155-G157 PolarHBondContact O-N 3.42Å; R155-H158 HydrophobicContact CB-CB 4.2Å; R155-H158 HydrophobicContact CG-CB 4.16Å; R155-H158 PolarHBondContact NE-CD2 2.91Å; R155-H158 VanDerWaalsContact NE-CD2 3.25Å; R155-H158 PolarHBondContact NH2-CD2 2.91Å; R155-H158 PolarHBondContact NH2-NE2 3.23Å; R155-H158 PolarHBondContact O-N 3.14Å; R155-E160 HydrophobicContact CB-CB 4.04Å; R155-E160 WeakPolarHBondContact CD-OE2 3.43Å; R155-E160 IonicContact CZ-OE2 3.28Å; R155-E160 PolarHBondContact N-O 3.1Å; R155-E160 IonicContact NE-OE2 2.89Å; R155-E160 IonicContact NH1-OE2 3.98Å; R155-E160 PolarHBondContact NH1-OE2 3.26Å; R155-F162 HydrophobicContact CB-CE2 4.31Å; R155-S196 WeakPolarHBondContact CA-OG 3.32Å; R155-S196 PolarHBondContact N-OG 3.13Å; R155-L197 WeakPolarHBondContact CG-O 3.36Å; R155-A198 VanDerWaalsContact CZ-O 3.27Å; R155-A198 PolarHBondContact NE-O 3.34Å; R155-A198 PolarHBondContact NH2-O 2.98Å; R155-R199 PolarHBondContact NE-O 3.37Å
156T87.5Confident93.8Very high40 Ų4029.5 Ų29.525%0.24517%0.172CC..THydrogen-bonded Turntrans-71.3131-174.867.90000110.8H158 L197 A198T156-H158 VanDerWaalsContact C-N 3.3Å; T156-H158 PolarHBondContact O-CD2 2.84Å; T156-L197 HydrophobicContact CG2-CD2 4.46Å; T156-L197 PolarHBondContact N-O 3.17Å; T156-L197 PolarHBondContact OG1-O 3.47Å; T156-A198 VanDerWaalsContact OG1-CA 3.32Å; T156-A198 WeakPolarHBondContact OG1-CA 3.32Å; T156-A198 PolarHBondContact OG1-N 3.29Å; T156-A198 VanDerWaalsContact OG1-N 3.13Å
157G85.7Confident93.9Very high60 Ų6022.7 Ų22.762%0.61914%0.141SC*.THydrogen-bonded Turntrans79.12.7-174.600000115.3R155R155-G157 PolarHBondContact O-N 3.42Å
158H89.9Confident94.1Very high80 Ų8027.8 Ų27.837%0.3716%0.155SC..SBendtrans-140144-174.1-65.2-78.8000112.7R155 T156 E160R155-H158 HydrophobicContact CB-CB 4.2Å; R155-H158 HydrophobicContact CG-CB 4.16Å; R155-H158 PolarHBondContact NE-CD2 2.91Å; R155-H158 VanDerWaalsContact NE-CD2 3.25Å; R155-H158 PolarHBondContact NH2-CD2 2.91Å; R155-H158 PolarHBondContact NH2-NE2 3.23Å; R155-H158 PolarHBondContact O-N 3.14Å; T156-H158 VanDerWaalsContact C-N 3.3Å; T156-H158 PolarHBondContact O-CD2 2.84Å; H158-E160 HydrophobicContact CB-CB 4.49Å; H158-E160 PolarHBondContact O-N 3.49Å
159N91.7Very high94.2Very high32 Ų3227.4 Ų27.417%0.17115%0.151CC..SBendtrans-82.851.4175.1-81.80.2000111.7D116 L175 D176D116-N159 PolarHBondContact OD2-ND2 2.84Å; D116-N159 VanDerWaalsContact OD2-ND2 3.17Å; N159-L175 HydrophobicContact CB-CB 4.14Å; N159-L175 PolarHBondContact O-N 2.92Å; N159-D176 VanDerWaalsContact CB-OD1 3.28Å; N159-D176 WeakPolarHBondContact CB-OD1 3.46Å; N159-D176 WeakPolarHBondContact CB-OD2 3.4Å; N159-D176 PolarHBondContact ND2-OD1 3.18Å
160E94.2Very high94.3Very high28 Ų2827.4 Ų27.413%0.13115%0.151CC..EExtended strand (participates in β ladder)trans-117.4126.5177.8-75.9-170.3136.100111V154 R155 H158 L172 W173 Q200V154-E160 WeakPolarHBondContact CA-O 3.32Å; R155-E160 HydrophobicContact CB-CB 4.04Å; R155-E160 WeakPolarHBondContact CD-OE2 3.43Å; R155-E160 IonicContact CZ-OE2 3.28Å; R155-E160 PolarHBondContact N-O 3.1Å; R155-E160 IonicContact NE-OE2 2.89Å; R155-E160 IonicContact NH1-OE2 3.98Å; R155-E160 PolarHBondContact NH1-OE2 3.26Å; H158-E160 HydrophobicContact CB-CB 4.49Å; H158-E160 PolarHBondContact O-N 3.49Å; E160-L172 HydrophobicContact CB-CD1 4.04Å; E160-L172 HydrophobicContact CG-CD1 4.42Å; E160-W173 WeakPolarHBondContact CA-O 3.43Å; E160-Q200 PolarHBondContact OE1-NE2 3.02Å
161L96.1Very high94.3Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-106.3118.4178.8178.471.3000110.4A112 C121 I129 L152 V154 L172 W173 L175A112-L161 HydrophobicContact CB-CD1 4.4Å; C121-L161 HydrophobicContact CB-CD1 4.09Å; C121-L161 HydrophobicContact CB-CD2 4.12Å; I129-L161 HydrophobicContact CG2-CD2 4.1Å; L152-L161 HydrophobicContact CB-CD1 4.33Å; L152-L161 HydrophobicContact CD2-CD1 4.26Å; L152-L161 HydrophobicContact CD2-CD2 4.34Å; L152-L161 HydrophobicContact CD2-CG 4.48Å; V154-L161 HydrophobicContact CG2-CD1 3.61Å; L161-L172 WeakPolarHBondContact O-CA 3.5Å; L161-W173 HydrophobicContact CB-CB 4.43Å; L161-W173 PolarHBondContact N-O 3.05Å; L161-W173 PolarHBondContact O-N 2.93Å; L161-L175 HydrophobicContact CB-CD2 3.95Å; L161-L175 HydrophobicContact CB-CG 4.34Å; L161-L175 HydrophobicContact CD2-CD2 4.34Å
162F96.8Very high94.3Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-87.4144.5161.8-67.7-77.1000110.7L152 S153 R155 L172 M184 V194 A202 V217L152-F162 WeakPolarHBondContact CA-O 3.47Å; S153-F162 PolarHBondContact N-O 2.7Å; S153-F162 PolarHBondContact O-N 3.22Å; R155-F162 HydrophobicContact CB-CE2 4.31Å; F162-L172 HydrophobicContact CD1-CB 4.34Å; F162-L172 HydrophobicContact CD1-CD1 3.94Å; F162-L172 HydrophobicContact CE1-CB 4.27Å; F162-L172 HydrophobicContact CE1-CD1 3.75Å; F162-L172 HydrophobicContact CE1-CD2 4.27Å; F162-L172 HydrophobicContact CE1-CG 4.31Å; F162-L172 HydrophobicContact CE2-CD1 4.33Å; F162-L172 HydrophobicContact CG-CD1 4.33Å; F162-L172 HydrophobicContact CZ-CD1 3.96Å; F162-M184 HydrophobicContact CD1-CE 4.08Å; F162-M184 HydrophobicContact CE1-CE 3.99Å; F162-V194 HydrophobicContact CB-CG2 3.98Å; F162-A202 HydrophobicContact CB-CB 4.39Å; F162-A202 HydrophobicContact CD1-CB 3.62Å; F162-A202 HydrophobicContact CD2-CB 4.12Å; F162-A202 HydrophobicContact CE1-CB 3.79Å; F162-A202 HydrophobicContact CE2-CB 4.27Å; F162-A202 HydrophobicContact CG-CB 3.78Å; F162-A202 HydrophobicContact CZ-CB 4.11Å; F162-V217 HydrophobicContact CE1-CG2 3.76Å; F162-V217 HydrophobicContact CZ-CG2 3.85Å
163S97.2Very high94.3Very high0 Ų026.9 Ų26.90%014%0.144CC..EExtended strand (participates in β ladder)trans-145.5146.5-178.356.60000110.4H145 L152 V170 K171 W173H145-S163 PolarHBondContact NE2-OG 2.81Å; L152-S163 VanDerWaalsContact CD2-CB 3.48Å; S163-V170 CarbonylContact O-C 3.58Å; S163-V170 VanDerWaalsContact O-CA 3.25Å; S163-V170 WeakPolarHBondContact O-CA 3.38Å; S163-V170 WeakPolarHBondContact O-CG1 3.42Å; S163-K171 PolarHBondContact N-O 3.33Å; S163-K171 PolarHBondContact O-N 3.23Å; S163-K171 PolarHBondContact OG-O 2.82Å; S163-W173 PolarHBondContact OG-NE1 3.07Å
164C96.8Very high94.3Very high0 Ų028.3 Ų28.30%015%0.152CC..EExtended strand (participates in β ladder)trans-139.6155.4176.670.90000111.4V149 T150 G151 V170 V191 V194V149-C164 WeakPolarHBondContact CG1-O 3.13Å; T150-C164 PolarHBondContact N-O 2.99Å; T150-C164 PolarHBondContact OG1-O 3.28Å; T150-C164 VanDerWaalsContact OG1-O 3.11Å; T150-C164 PolarHBondContact OG1-SG 2.87Å; G151-C164 PolarHBondContact N-O 2.76Å; G151-C164 PolarHBondContact O-N 3.27Å; C164-V170 HydrophobicContact CB-CG2 4.28Å; C164-V191 HydrophobicContact CB-CB 3.79Å; C164-V191 HydrophobicContact CB-CG1 3.64Å; C164-V191 HydrophobicContact CB-CG2 4.32Å; C164-V194 HydrophobicContact CB-CB 4.3Å; C164-V194 HydrophobicContact CB-CG1 4.47Å
165G95.6Very high94.2Very high0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-150.6176.2-170.800000115.8G148 D167 R168 S169 V191G148-G165 WeakPolarHBondContact O-CA 3.15Å; G165-D167 PolarHBondContact O-N 3.07Å; G165-R168 PolarHBondContact O-N 3.4Å; G165-R168 VanDerWaalsContact O-N 3.16Å; G165-S169 PolarHBondContact N-O 2.8Å; G165-V191 PolarHBondContact O-N 2.9Å
166N95.1Very high94.1Very high77 Ų7731.7 Ų31.741%0.41217%0.172SC..THydrogen-bonded Turntrans-69.8-12.9177.7-72.2-81.2000113.8G148 T150 R168G148-N166 PolarHBondContact O-N 3.4Å; G148-N166 PolarHBondContact O-ND2 3.42Å; T150-N166 VanDerWaalsContact CG2-ND2 3.31Å; T150-N166 WeakPolarHBondContact CG2-ND2 3.49Å; N166-R168 PolarHBondContact O-N 3.31Å
167D94.7Very high94.2Very high33 Ų3332.4 Ų32.418%0.17619%0.187CC..THydrogen-bonded Turntrans-72.3-6.4170.355.128000113.7H145 E146 G147 G165 S169H145-D167 WeakPolarHBondContact CB-OD2 3.15Å; H145-D167 IonicContact CG-OD2 3.4Å; H145-D167 IonicContact ND1-OD1 3.99Å; H145-D167 PolarHBondContact ND1-OD1 3.01Å; H145-D167 IonicContact ND1-OD2 2.81Å; H145-D167 PolarHBondContact ND1-OD2 3.29Å; E146-D167 HydrophobicContact CB-CB 3.94Å; E146-D167 PolarHBondContact N-OD2 2.81Å; G147-D167 PolarHBondContact N-OD2 2.04Å; G165-D167 PolarHBondContact O-N 3.07Å; D167-S169 VanDerWaalsContact CG-OG 3.23Å; D167-S169 PolarHBondContact O-N 2.88Å; D167-S169 WeakPolarHBondContact OD1-CB 3.42Å; D167-S169 PolarHBondContact OD1-N 3.37Å; D167-S169 PolarHBondContact OD1-OG 2.85Å; D167-S169 PolarHBondContact OD2-OG 3.4Å
168R96.2Very high94.4Very high124 Ų12431.7 Ų31.747%0.46817%0.167SC..SBendtrans72.310.8-177.7-43.6176-71176.23.2114.4G165 N166 H187 E188G165-R168 PolarHBondContact O-N 3.4Å; G165-R168 VanDerWaalsContact O-N 3.16Å; N166-R168 PolarHBondContact O-N 3.31Å; R168-H187 HydrophobicContact CB-CB 4.46Å; R168-E188 WeakPolarHBondContact CD-O 3.35Å; R168-E188 PolarHBondContact NH1-O 3.42Å
169S95.7Very high94.4Very high2 Ų229 Ų291%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-89.4155.5172.473.70000111.8H145 G165 D167 K171H145-S169 PolarHBondContact CE1-OG 3.11Å; H145-S169 PolarHBondContact ND1-OG 3.46Å; G165-S169 PolarHBondContact N-O 2.8Å; D167-S169 VanDerWaalsContact CG-OG 3.23Å; D167-S169 PolarHBondContact O-N 2.88Å; D167-S169 WeakPolarHBondContact OD1-CB 3.42Å; D167-S169 PolarHBondContact OD1-N 3.37Å; D167-S169 PolarHBondContact OD1-OG 2.85Å; D167-S169 PolarHBondContact OD2-OG 3.4Å; S169-K171 WeakPolarHBondContact OG-CE 3.37Å
170V96.6Very high94.5Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-121.5116.6165.3-1720000106.8S163 C164 M184 V191 T204 W215S163-V170 CarbonylContact O-C 3.58Å; S163-V170 VanDerWaalsContact O-CA 3.25Å; S163-V170 WeakPolarHBondContact O-CA 3.38Å; S163-V170 WeakPolarHBondContact O-CG1 3.42Å; C164-V170 HydrophobicContact CB-CG2 4.28Å; V170-M184 HydrophobicContact CB-CB 4.36Å; V170-M184 HydrophobicContact CB-CE 4.15Å; V170-M184 HydrophobicContact CG1-CE 3.84Å; V170-M184 PolarHBondContact N-O 3.31Å; V170-M184 PolarHBondContact O-N 2.79Å; V170-V191 HydrophobicContact CG2-CG2 4.29Å; V170-T204 HydrophobicContact CG1-CG2 4.06Å; V170-T204 HydrophobicContact CG2-CG2 3.8Å; V170-W215 HydrophobicContact CG2-CZ2 4.28Å
171K96.1Very high94.5Very high19 Ų1935.2 Ų35.28%0.08319%0.189CC..EExtended strand (participates in β ladder)trans-110139.5-174.9-62.1-176.6-175-72.30111.2S163 S169 W173 D182 S183S163-K171 PolarHBondContact N-O 3.33Å; S163-K171 PolarHBondContact O-N 3.23Å; S163-K171 PolarHBondContact OG-O 2.82Å; S169-K171 WeakPolarHBondContact OG-CE 3.37Å; K171-W173 HydrophobicContact CB-CZ2 3.81Å; K171-W173 HydrophobicContact CD-CH2 4.15Å; K171-W173 HydrophobicContact CD-CZ2 3.68Å; K171-W173 HydrophobicContact CG-CZ2 4.39Å; K171-D182 WeakPolarHBondContact CA-O 3.28Å; K171-S183 PolarHBondContact NZ-OG 3.17Å
172L96.3Very high94.3Very high0 Ų037.7 Ų37.70%020%0.202CC..EExtended strand (participates in β ladder)trans-107.8134175.7176.860.8000109.8E160 L161 F162 V181 D182 V217E160-L172 HydrophobicContact CB-CD1 4.04Å; E160-L172 HydrophobicContact CG-CD1 4.42Å; L161-L172 WeakPolarHBondContact O-CA 3.5Å; F162-L172 HydrophobicContact CD1-CB 4.34Å; F162-L172 HydrophobicContact CD1-CD1 3.94Å; F162-L172 HydrophobicContact CE1-CB 4.27Å; F162-L172 HydrophobicContact CE1-CD1 3.75Å; F162-L172 HydrophobicContact CE1-CD2 4.27Å; F162-L172 HydrophobicContact CE1-CG 4.31Å; F162-L172 HydrophobicContact CE2-CD1 4.33Å; F162-L172 HydrophobicContact CG-CD1 4.33Å; F162-L172 HydrophobicContact CZ-CD1 3.96Å; L172-V181 HydrophobicContact CB-CB 4.33Å; L172-V181 HydrophobicContact CD2-CB 4.2Å; L172-V181 HydrophobicContact CD2-CG1 3.97Å; L172-V181 HydrophobicContact CG-CB 3.95Å; L172-V181 HydrophobicContact CG-CG1 4.29Å; L172-V181 HydrophobicContact CG-CG2 4.34Å; L172-V181 WeakPolarHBondContact O-CB 3.09Å; L172-V181 PolarHBondContact O-N 2.89Å; L172-D182 PolarHBondContact N-O 3.2Å; L172-D182 PolarHBondContact O-N 2.86Å; L172-V217 HydrophobicContact CD2-CG1 3.69Å; L172-V217 HydrophobicContact CD2-CG2 4.19Å
173W95.8Very high94.2Very high15 Ų1538.3 Ų38.36%0.05721%0.206CC..EExtended strand (participates in β ladder)trans-132.3147.1179.6-39.684.9000110.4I129 L143 E160 L161 S163 K171 G179 Y180I129-W173 HydrophobicContact CD1-CZ2 4.38Å; L143-W173 HydrophobicContact CB-CE3 4.36Å; L143-W173 HydrophobicContact CB-CH2 4.1Å; L143-W173 HydrophobicContact CB-CZ2 4.37Å; L143-W173 HydrophobicContact CB-CZ3 4.08Å; L143-W173 HydrophobicContact CD1-CB 4.29Å; L143-W173 HydrophobicContact CD1-CD2 3.7Å; L143-W173 HydrophobicContact CD1-CE3 3.71Å; L143-W173 HydrophobicContact CD1-CG 3.95Å; L143-W173 HydrophobicContact CD1-CZ3 4.28Å; L143-W173 HydrophobicContact CD2-CE3 3.98Å; L143-W173 HydrophobicContact CD2-CZ3 4Å; L143-W173 HydrophobicContact CG-CE3 4.23Å; L143-W173 HydrophobicContact CG-CZ3 4.35Å; E160-W173 WeakPolarHBondContact CA-O 3.43Å; L161-W173 HydrophobicContact CB-CB 4.43Å; L161-W173 PolarHBondContact N-O 3.05Å; L161-W173 PolarHBondContact O-N 2.93Å; S163-W173 PolarHBondContact OG-NE1 3.07Å; K171-W173 HydrophobicContact CB-CZ2 3.81Å; K171-W173 HydrophobicContact CD-CH2 4.15Å; K171-W173 HydrophobicContact CD-CZ2 3.68Å; K171-W173 HydrophobicContact CG-CZ2 4.39Å; W173-G179 CarbonylContact C-O 3.58Å; W173-G179 WeakPolarHBondContact CA-O 3.29Å; W173-G179 WeakPolarHBondContact CB-O 3.48Å; W173-Y180 HydrophobicContact CE3-CD2 4.07Å; W173-Y180 HydrophobicContact CE3-CG 4.47Å; W173-Y180 HydrophobicContact CH2-CD2 4.15Å; W173-Y180 AromaticContact CZ3-CD2 3.78Å; W173-Y180 HydrophobicContact CZ3-CD2 3.78Å; W173-Y180 HydrophobicContact CZ3-CG 4.28Å
174T94.6Very high94.1Very high43 Ų4338.6 Ų38.626%0.26421%0.207SC..EExtended strand (participates in β ladder)trans-91.6132.9166.3168.70000109.6D176 F178 G179 V181T174-D176 PolarHBondContact OG1-N 3.07Å; T174-F178 CarbonylContact O-C 3.38Å; T174-F178 WeakPolarHBondContact O-CA 3.28Å; T174-F178 PolarHBondContact O-N 3.11Å; T174-F178 VanDerWaalsContact O-N 3.14Å; T174-G179 PolarHBondContact N-O 3.28Å; T174-G179 PolarHBondContact O-N 2.89Å; T174-V181 HydrophobicContact CG2-CG2 4.18Å
175L92.9Very high94Very high0 Ų044.8 Ų44.80%023%0.232CC..THydrogen-bonded Turntrans-78.7-34.2176.7-59.7177.2000111.5F119 I131 V154 N159 L161 G177 F178F119-L175 HydrophobicContact CD2-CB 3.96Å; F119-L175 HydrophobicContact CD2-CD1 4.3Å; F119-L175 HydrophobicContact CE2-CB 4.2Å; I131-L175 HydrophobicContact CD1-CD2 3.79Å; V154-L175 HydrophobicContact CG1-CD1 4.35Å; V154-L175 HydrophobicContact CG2-CD1 4.29Å; N159-L175 HydrophobicContact CB-CB 4.14Å; N159-L175 PolarHBondContact O-N 2.92Å; L161-L175 HydrophobicContact CB-CD2 3.95Å; L161-L175 HydrophobicContact CB-CG 4.34Å; L161-L175 HydrophobicContact CD2-CD2 4.34Å; L175-G177 PolarHBondContact O-N 2.89Å; L175-F178 WeakPolarHBondContact O-CD1 3.09Å; L175-F178 WeakPolarHBondContact O-CE1 3.38Å; L175-F178 PolarHBondContact O-N 3.36Å
176D90.4Very high93.9Very high113 Ų11346.3 Ų46.360%0.60425%0.247SC*.THydrogen-bonded Turntrans-62.4-28.7-175.7-53-53.8000113.6N159 T174N159-D176 VanDerWaalsContact CB-OD1 3.28Å; N159-D176 WeakPolarHBondContact CB-OD1 3.46Å; N159-D176 WeakPolarHBondContact CB-OD2 3.4Å; N159-D176 PolarHBondContact ND2-OD1 3.18Å; T174-D176 PolarHBondContact OG1-N 3.07Å
177G89.6Confident93.9Very high54 Ų5443 Ų4356%0.55723%0.229SC*.THydrogen-bonded Turntrans-118.44.2174.200000114.8L175 G179L175-G177 PolarHBondContact O-N 2.89Å; G177-G179 PolarHBondContact O-N 3.39Å; G177-G179 VanDerWaalsContact O-N 3.16Å
178F89.9Confident93.8Very high46 Ų4648 Ų4820%0.20225%0.252CS..THydrogen-bonded Turntrans45.439.7-167.9-42.8-59.8000113.3F119 I131 L140 K141 T174 L175F119-F178 HydrophobicContact CD1-CE1 4.12Å; F119-F178 HydrophobicContact CD1-CZ 4.47Å; F119-F178 AromaticContact CE1-CE1 3.77Å; F119-F178 HydrophobicContact CE1-CE1 3.77Å; F119-F178 AromaticContact CE1-CZ 3.78Å; F119-F178 HydrophobicContact CE1-CZ 3.78Å; F119-F178 HydrophobicContact CZ-CE1 4.11Å; F119-F178 HydrophobicContact CZ-CZ 4.18Å; I131-F178 HydrophobicContact CB-CD1 4.45Å; I131-F178 HydrophobicContact CD1-CB 4.43Å; I131-F178 HydrophobicContact CD1-CD1 3.72Å; I131-F178 HydrophobicContact CD1-CG 4.47Å; I131-F178 HydrophobicContact CG2-CD1 4Å; I131-F178 HydrophobicContact CG2-CE1 3.8Å; L140-F178 HydrophobicContact CB-CE1 4.42Å; L140-F178 HydrophobicContact CB-CE2 4.03Å; L140-F178 HydrophobicContact CB-CZ 3.87Å; L140-F178 HydrophobicContact CD1-CE1 4.26Å; L140-F178 HydrophobicContact CD1-CE2 4.44Å; L140-F178 HydrophobicContact CD1-CZ 3.64Å; L140-F178 HydrophobicContact CG-CZ 4.41Å; K141-F178 HydrophobicContact CB-CB 3.86Å; K141-F178 HydrophobicContact CB-CD1 4.42Å; K141-F178 HydrophobicContact CB-CD2 4.3Å; K141-F178 HydrophobicContact CB-CG 3.93Å; K141-F178 HydrophobicContact CD-CB 4Å; K141-F178 HydrophobicContact CG-CB 3.72Å; K141-F178 HydrophobicContact CG-CG 4.34Å; T174-F178 CarbonylContact O-C 3.38Å; T174-F178 WeakPolarHBondContact O-CA 3.28Å; T174-F178 PolarHBondContact O-N 3.11Å; T174-F178 VanDerWaalsContact O-N 3.14Å; L175-F178 WeakPolarHBondContact O-CD1 3.09Å; L175-F178 WeakPolarHBondContact O-CE1 3.38Å; L175-F178 PolarHBondContact O-N 3.36Å
179G90.3Very high93.8Very high22 Ų2242.7 Ų42.723%0.22723%0.234CC..EExtended strand (participates in β ladder)trans-97.7143.3-169.700000112.5W173 T174 G177W173-G179 CarbonylContact C-O 3.58Å; W173-G179 WeakPolarHBondContact CA-O 3.29Å; W173-G179 WeakPolarHBondContact CB-O 3.48Å; T174-G179 PolarHBondContact N-O 3.28Å; T174-G179 PolarHBondContact O-N 2.89Å; G177-G179 PolarHBondContact O-N 3.39Å; G177-G179 VanDerWaalsContact O-N 3.16Å
180Y93.5Very high93.7Very high123 Ų12344.7 Ų44.748%0.48225%0.247SC..EExtended strand (participates in β ladder)trans-69.2133.7164171.5-95.1000109.8W173 D182 S183W173-Y180 HydrophobicContact CE3-CD2 4.07Å; W173-Y180 HydrophobicContact CE3-CG 4.47Å; W173-Y180 HydrophobicContact CH2-CD2 4.15Å; W173-Y180 AromaticContact CZ3-CD2 3.78Å; W173-Y180 HydrophobicContact CZ3-CD2 3.78Å; W173-Y180 HydrophobicContact CZ3-CG 4.28Å; Y180-D182 WeakPolarHBondContact CE2-O 3.14Å; Y180-D182 VanDerWaalsContact CZ-C 3.44Å; Y180-D182 WeakPolarHBondContact OH-CA 3.44Å; Y180-S183 VanDerWaalsContact CE2-OG 3.26Å; Y180-S183 WeakPolarHBondContact CE2-OG 3.45Å; Y180-S183 VanDerWaalsContact OH-CB 3.29Å; Y180-S183 WeakPolarHBondContact OH-CB 3.44Å; Y180-S183 PolarHBondContact OH-N 3.41Å; Y180-S183 PolarHBondContact OH-OG 2.99Å
181V93.4Very high93.7Very high69 Ų6944.7 Ų44.742%0.41825%0.247SC..EExtended strand (participates in β ladder)trans-107-59.3174.1-176.10000109.6L172 T174L172-V181 HydrophobicContact CB-CB 4.33Å; L172-V181 HydrophobicContact CD2-CB 4.2Å; L172-V181 HydrophobicContact CD2-CG1 3.97Å; L172-V181 HydrophobicContact CG-CB 3.95Å; L172-V181 HydrophobicContact CG-CG1 4.29Å; L172-V181 HydrophobicContact CG-CG2 4.34Å; L172-V181 WeakPolarHBondContact O-CB 3.09Å; L172-V181 PolarHBondContact O-N 2.89Å; T174-V181 HydrophobicContact CG2-CG2 4.18Å
182D93.7Very high93.7Very high52 Ų5244.8 Ų44.828%0.27825%0.248SC..EExtended strand (participates in β ladder)trans-157.4164.7-171.8-162.116.1000114.6K171 L172 Y180K171-D182 WeakPolarHBondContact CA-O 3.28Å; L172-D182 PolarHBondContact N-O 3.2Å; L172-D182 PolarHBondContact O-N 2.86Å; Y180-D182 WeakPolarHBondContact CE2-O 3.14Å; Y180-D182 VanDerWaalsContact CZ-C 3.44Å; Y180-D182 WeakPolarHBondContact OH-CA 3.44Å
183S93.9Very high93.6Very high13 Ų1345.3 Ų45.39%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-132.6106.2175.9-63.40000110.7K171 Y180 Y185K171-S183 PolarHBondContact NZ-OG 3.17Å; Y180-S183 VanDerWaalsContact CE2-OG 3.26Å; Y180-S183 WeakPolarHBondContact CE2-OG 3.45Å; Y180-S183 VanDerWaalsContact OH-CB 3.29Å; Y180-S183 WeakPolarHBondContact OH-CB 3.44Å; Y180-S183 PolarHBondContact OH-N 3.41Å; Y180-S183 PolarHBondContact OH-OG 2.99Å; S183-Y185 VanDerWaalsContact CB-CE2 3.44Å; S183-Y185 WeakPolarHBondContact CB-OH 3.46Å; S183-Y185 WeakPolarHBondContact O-CD2 3.43Å; S183-Y185 WeakPolarHBondContact O-CE2 3.34Å
184M94.7Very high93.6Very high5 Ų544.6 Ų44.63%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-84.9135.6174.7-62.1157.8-75.700110.2F162 V170 W215 V217F162-M184 HydrophobicContact CD1-CE 4.08Å; F162-M184 HydrophobicContact CE1-CE 3.99Å; V170-M184 HydrophobicContact CB-CB 4.36Å; V170-M184 HydrophobicContact CB-CE 4.15Å; V170-M184 HydrophobicContact CG1-CE 3.84Å; V170-M184 PolarHBondContact N-O 3.31Å; V170-M184 PolarHBondContact O-N 2.79Å; M184-W215 HydrophobicContact CB-CD2 4Å; M184-W215 HydrophobicContact CB-CE3 3.6Å; M184-W215 HydrophobicContact CB-CH2 4.43Å; M184-W215 HydrophobicContact CB-CZ3 3.83Å; M184-W215 HydrophobicContact CG-CD2 4.48Å; M184-W215 HydrophobicContact CG-CE3 4.09Å; M184-W215 HydrophobicContact SD-CB 3.52Å; M184-W215 VanDerWaalsContact SD-CB 3.52Å; M184-W215 HydrophobicContact SD-CD2 4.11Å; M184-W215 HydrophobicContact SD-CE3 4.22Å; M184-W215 HydrophobicContact SD-CG 3.82Å; M184-V217 HydrophobicContact SD-CG2 4.2Å
185Y94.4Very high93.6Very high131 Ų13143.5 Ų43.551%0.51424%0.24SC..EExtended strand (participates in β ladder)trans-126.9150.9-179-61.5-84.2000111.8S183 W215 Q222S183-Y185 VanDerWaalsContact CB-CE2 3.44Å; S183-Y185 WeakPolarHBondContact CB-OH 3.46Å; S183-Y185 WeakPolarHBondContact O-CD2 3.43Å; S183-Y185 WeakPolarHBondContact O-CE2 3.34Å; Y185-W215 WeakPolarHBondContact O-CH2 3.48Å; Y185-W215 WeakPolarHBondContact O-CZ3 3.47Å; Y185-Q222 PolarHBondContact O-NE2 3.43Å
186G93.1Very high93.6Very high31 Ų3143.6 Ų43.632%0.3224%0.241SC..  trans155.4-21.6172.400000115.1R213G186-R213 PolarHBondContact O-NH1 2.89Å; G186-R213 PolarHBondContact O-NH2 3.44Å
187H95.2Very high93.6Very high7 Ų740 Ų403%0.03222%0.222CC..  trans-61135.6171.7-90.2-62.5000110.9R168 V191 T204 G206 D209 T211 R213R168-H187 HydrophobicContact CB-CB 4.46Å; H187-V191 HydrophobicContact CB-CG2 4.1Å; H187-T204 PolarHBondContact CD2-OG1 3.11Å; H187-T204 PolarHBondContact NE2-OG1 3.02Å; H187-G206 PolarHBondContact CE1-N 3.13Å; H187-D209 IonicContact CE1-OD2 2.68Å; H187-D209 IonicContact CG-OD2 2.68Å; H187-D209 IonicContact ND1-OD1 3.47Å; H187-D209 IonicContact ND1-OD2 2.84Å; H187-D209 PolarHBondContact ND1-OD2 2.85Å; H187-T211 PolarHBondContact CE1-OG1 2.92Å; H187-T211 VanDerWaalsContact CE1-OG1 3.24Å; H187-T211 PolarHBondContact ND1-OG1 2.89Å; H187-R213 PolarHBondContact ND1-NE 2.95Å
188E94.2Very high93.4Very high140 Ų14039.2 Ų39.265%0.65421%0.21SC*.SBendtrans-90.4-31.3-176.2-64178-160.500110.7R168 D209R168-E188 WeakPolarHBondContact CD-O 3.35Å; R168-E188 PolarHBondContact NH1-O 3.42Å; E188-D209 HydrophobicContact CB-CB 3.92Å; E188-D209 PolarHBondContact N-OD2 2.65Å
189A94.8Very high93.3Very high11 Ų1140.1 Ų40.19%0.09121%0.212CC..SBendtrans-106.2163.3172.800000111.7V191 R208 D209A189-V191 PolarHBondContact O-N 2.79Å; A189-R208 HydrophobicContact CB-CB 3.95Å; A189-D209 HydrophobicContact CB-CB 3.9Å; A189-D209 PolarHBondContact N-OD2 2.78Å
190P95.2Very high93.1Very high45 Ų4541.2 Ų41.229%0.29221%0.211SC..  trans-47.2132.8169.6-34.440.4000113.2Q192 G207P190-Q192 PolarHBondContact O-NE2 2.83Å; P190-G207 PolarHBondContact O-N 3.21Å
191V96.6Very high93Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-72.9135.1175.3-162.10000108.8T150 C164 G165 V170 H187 A189 T204 C205T150-V191 VanDerWaalsContact CB-O 3.3Å; T150-V191 WeakPolarHBondContact CB-O 3.41Å; T150-V191 WeakPolarHBondContact CG2-O 3.37Å; T150-V191 PolarHBondContact OG1-O 3.17Å; C164-V191 HydrophobicContact CB-CB 3.79Å; C164-V191 HydrophobicContact CB-CG1 3.64Å; C164-V191 HydrophobicContact CB-CG2 4.32Å; G165-V191 PolarHBondContact O-N 2.9Å; V170-V191 HydrophobicContact CG2-CG2 4.29Å; H187-V191 HydrophobicContact CB-CG2 4.1Å; A189-V191 PolarHBondContact O-N 2.79Å; V191-T204 HydrophobicContact CG1-CG2 4.02Å; V191-C205 WeakPolarHBondContact CG1-O 3.31Å
192Q94.5Very high93Very high21 Ų2135.2 Ų35.210%0.09818%0.181CC..EExtended strand (participates in β ladder)trans-100.3-32.6-172.8-58.8-54.8-61.900113.9P190 C205P190-Q192 PolarHBondContact O-NE2 2.83Å; Q192-C205 PolarHBondContact N-O 3.38Å
193D94.8Very high93.1Very high11 Ų1132.8 Ų32.86%0.05917%0.168CC..EExtended strand (participates in β ladder)trans-155.1158.8-173.7-160.3-0.8000109.3T204 C205 T237 V238 R239D193-T204 WeakPolarHBondContact O-CA 3.1Å; D193-C205 PolarHBondContact O-N 3.13Å; D193-T237 WeakPolarHBondContact OD2-CA 3.44Å; D193-T237 WeakPolarHBondContact OD2-CB 3.46Å; D193-T237 PolarHBondContact OD2-OG1 2.77Å; D193-V238 HydrophobicContact CB-CG1 4.37Å; D193-V238 PolarHBondContact OD2-N 2.89Å; D193-V238 VanDerWaalsContact OD2-N 3.08Å; D193-R239 IonicContact OD1-CZ 3.73Å; D193-R239 IonicContact OD1-NH1 2.63Å; D193-R239 PolarHBondContact OD1-NH1 3.18Å; D193-R239 IonicContact OD1-NH2 3.12Å; D193-R239 PolarHBondContact OD1-NH2 2.79Å; D193-R239 IonicContact OD2-CZ 2.7Å; D193-R239 IonicContact OD2-NH1 3.62Å; D193-R239 PolarHBondContact OD2-NH1 3.28Å; D193-R239 VanDerWaalsContact OD2-NH1 3.12Å; D193-R239 IonicContact OD2-NH2 3.1Å; D193-R239 PolarHBondContact OD2-NH2 2.7Å
194V95.8Very high93.2Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-143143.8176.160.20000109.4G151 F162 C164 A202 I203 T204 R239G151-V194 VanDerWaalsContact C-CG1 3.48Å; F162-V194 HydrophobicContact CB-CG2 3.98Å; C164-V194 HydrophobicContact CB-CB 4.3Å; C164-V194 HydrophobicContact CB-CG1 4.47Å; V194-A202 HydrophobicContact CG2-CB 4.17Å; V194-I203 CarbonylContact C-O 3.59Å; V194-I203 VanDerWaalsContact CA-O 3.32Å; V194-I203 WeakPolarHBondContact CA-O 3.24Å; V194-T204 HydrophobicContact CB-CG2 3.88Å; V194-T204 HydrophobicContact CG2-CG2 3.71Å; V194-R239 PolarHBondContact O-NH1 3.49Å
195D94.8Very high93.2Very high19 Ų1932 Ų3210%0.10216%0.162CC..EExtended strand (participates in β ladder)trans-143.6156.6173.7-162.420.1000111.7A202 I203 R239 L240D195-A202 CarbonylContact O-C 3.57Å; D195-A202 WeakPolarHBondContact O-CA 3.43Å; D195-I203 HydrophobicContact CB-CG2 3.8Å; D195-I203 PolarHBondContact N-O 2.82Å; D195-I203 PolarHBondContact O-N 3.04Å; D195-R239 VanDerWaalsContact OD2-CA 3.24Å; D195-R239 WeakPolarHBondContact OD2-CA 3.38Å; D195-R239 VanDerWaalsContact OD2-CD 3.31Å; D195-R239 WeakPolarHBondContact OD2-CD 3.43Å; D195-L240 PolarHBondContact OD2-N 3.48Å
196S93Very high92.8Very high3 Ų325.7 Ų25.72%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-152.2154.2-177.263.70000111.8S153 R155 R201S153-S196 PolarHBondContact OG-N 3.09Å; S153-S196 VanDerWaalsContact OG-N 3.11Å; S153-S196 PolarHBondContact OG-OG 3.49Å; R155-S196 WeakPolarHBondContact CA-OG 3.32Å; R155-S196 PolarHBondContact N-OG 3.13Å; S196-R201 WeakPolarHBondContact CB-O 3.47Å
197L89.6Confident92.6Very high37 Ų3724.2 Ų24.219%0.19412%0.122CC..  trans-122.3-137.1176.8-72-179.2000110.1R155 T156 L240 S242 E243R155-L197 WeakPolarHBondContact CG-O 3.36Å; T156-L197 HydrophobicContact CG2-CD2 4.46Å; T156-L197 PolarHBondContact N-O 3.17Å; T156-L197 PolarHBondContact OG1-O 3.47Å; L197-L240 HydrophobicContact CB-CD1 4.34Å; L197-L240 HydrophobicContact CD1-CB 3.63Å; L197-L240 HydrophobicContact CD1-CD1 4.3Å; L197-L240 HydrophobicContact CD1-CG 4.39Å; L197-L240 HydrophobicContact CD2-CB 4.4Å; L197-L240 HydrophobicContact CG-CB 3.72Å; L197-L240 HydrophobicContact CG-CD1 3.83Å; L197-L240 HydrophobicContact CG-CG 4.34Å; L197-S242 VanDerWaalsContact CD1-C 3.5Å; L197-E243 VanDerWaalsContact CB-OE1 3.27Å; L197-E243 WeakPolarHBondContact CB-OE1 3.17Å; L197-E243 HydrophobicContact CD1-CG 4.49Å
198A86.2Confident92.4Very high38 Ų3834.1 Ų34.131%0.31416%0.159SC..SBendtrans-90.4-33.6-170.900000112.2R155 T156 E243R155-A198 VanDerWaalsContact CZ-O 3.27Å; R155-A198 PolarHBondContact NE-O 3.34Å; R155-A198 PolarHBondContact NH2-O 2.98Å; T156-A198 VanDerWaalsContact OG1-CA 3.32Å; T156-A198 WeakPolarHBondContact OG1-CA 3.32Å; T156-A198 PolarHBondContact OG1-N 3.29Å; T156-A198 VanDerWaalsContact OG1-N 3.13Å; A198-E243 PolarHBondContact N-OE1 3.03Å
199R87Confident92.3Very high65 Ų6528.5 Ų28.525%0.24513%0.134CC..SBendtrans-67.6154.5171.4-63.5178.9-178.8158.9-3.7110.3Y32 R155 R201 E243 D244Y32-R199 HydrophobicContact CE1-CG 4.45Å; Y32-R199 PolarHBondContact OH-NE 3.15Å; Y32-R199 PolarHBondContact OH-NH2 3.38Å; R155-R199 PolarHBondContact NE-O 3.37Å; R199-R201 HydrophobicContact CB-CG 4.2Å; R199-R201 PolarHBondContact O-N 3.25Å; R199-E243 WeakPolarHBondContact CB-OE2 3.24Å; R199-E243 VanDerWaalsContact CD-OE2 3.28Å; R199-E243 WeakPolarHBondContact CD-OE2 3.23Å; R199-E243 VanDerWaalsContact CG-CD 3.46Å; R199-E243 HydrophobicContact CG-CG 4.19Å; R199-E243 WeakPolarHBondContact CG-OE2 3.34Å; R199-E243 PolarHBondContact N-OE1 3.35Å; R199-E243 VanDerWaalsContact NH1-CB 3.35Å; R199-D244 IonicContact NH1-OD1 2.89Å; R199-D244 PolarHBondContact NH1-OD1 3.13Å
200Q86.9Confident92.2Very high44 Ų4430.4 Ų30.421%0.20614%0.141CC..SBendtrans-76.967177.4-154.1174.919.700110.8E160 V217 L218E160-Q200 PolarHBondContact OE1-NE2 3.02Å; Q200-V217 HydrophobicContact CG-CB 4.04Å; Q200-V217 HydrophobicContact CG-CG1 4.49Å; Q200-V217 HydrophobicContact CG-CG2 4.19Å; Q200-V217 PolarHBondContact O-N 2.97Å; Q200-L218 VanDerWaalsContact OE1-CD2 3.24Å
201R91.2Very high92.2Very high66 Ų6628.4 Ų28.425%0.24913%0.128CC..EExtended strand (participates in β ladder)trans-140.4142.7-175.6-64.1179.2-178.5172.30.9109.2S196 R199 W215S196-R201 WeakPolarHBondContact CB-O 3.47Å; R199-R201 HydrophobicContact CB-CG 4.2Å; R199-R201 PolarHBondContact O-N 3.25Å; R201-W215 VanDerWaalsContact CA-O 3.24Å; R201-W215 WeakPolarHBondContact CA-O 3.41Å; R201-W215 WeakPolarHBondContact CB-O 3.35Å
202A93.5Very high92.1Very high1 Ų128.4 Ų28.41%0.00813%0.128CC..EExtended strand (participates in β ladder)trans-119.1146.1167.900000109.4F162 V194 D195 I214 W215F162-A202 HydrophobicContact CB-CB 4.39Å; F162-A202 HydrophobicContact CD1-CB 3.62Å; F162-A202 HydrophobicContact CD2-CB 4.12Å; F162-A202 HydrophobicContact CE1-CB 3.79Å; F162-A202 HydrophobicContact CE2-CB 4.27Å; F162-A202 HydrophobicContact CG-CB 3.78Å; F162-A202 HydrophobicContact CZ-CB 4.11Å; V194-A202 HydrophobicContact CG2-CB 4.17Å; D195-A202 CarbonylContact O-C 3.57Å; D195-A202 WeakPolarHBondContact O-CA 3.43Å; A202-I214 WeakPolarHBondContact O-CA 3.48Å; A202-W215 PolarHBondContact N-O 3.09Å; A202-W215 PolarHBondContact O-N 3.43Å
203I95.3Very high92.2Very high1 Ų128 Ų281%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-106.8138.4163.6-164.2166.1000109.5V194 D195 I212 R213 I214 V238 L240 F246V194-I203 CarbonylContact C-O 3.59Å; V194-I203 VanDerWaalsContact CA-O 3.32Å; V194-I203 WeakPolarHBondContact CA-O 3.24Å; D195-I203 HydrophobicContact CB-CG2 3.8Å; D195-I203 PolarHBondContact N-O 2.82Å; D195-I203 PolarHBondContact O-N 3.04Å; I203-I212 HydrophobicContact CD1-CG2 3.67Å; I203-I212 HydrophobicContact CG1-CG2 3.68Å; I203-R213 CarbonylContact C-O 3.58Å; I203-R213 WeakPolarHBondContact CA-O 3.31Å; I203-I214 HydrophobicContact CB-CG1 4.18Å; I203-I214 HydrophobicContact CD1-CD1 4.06Å; I203-I214 HydrophobicContact CD1-CG1 3.68Å; I203-I214 HydrophobicContact CG1-CG1 3.71Å; I203-V238 HydrophobicContact CD1-CG2 3.75Å; I203-V238 HydrophobicContact CG1-CG2 3.92Å; I203-V238 HydrophobicContact CG2-CG1 4.15Å; I203-V238 HydrophobicContact CG2-CG2 4.05Å; I203-L240 HydrophobicContact CB-CG 4.43Å; I203-L240 HydrophobicContact CG2-CD1 3.95Å; I203-L240 HydrophobicContact CG2-CD2 4.27Å; I203-L240 HydrophobicContact CG2-CG 3.72Å; I203-F246 HydrophobicContact CD1-CB 3.66Å; I203-F246 HydrophobicContact CD1-CD1 3.73Å; I203-F246 HydrophobicContact CD1-CD2 3.33Å; I203-F246 HydrophobicContact CD1-CE1 4.15Å; I203-F246 HydrophobicContact CD1-CE2 3.78Å; I203-F246 HydrophobicContact CD1-CG 3.29Å; I203-F246 HydrophobicContact CD1-CZ 4.15Å
204T96.8Very high92.3Very high0 Ų027.9 Ų27.90%013%0.125CC..EExtended strand (participates in β ladder)trans-135.4153.5176.357.40000111.3V170 H187 V191 D193 V194 I212 R213 W215V170-T204 HydrophobicContact CG1-CG2 4.06Å; V170-T204 HydrophobicContact CG2-CG2 3.8Å; H187-T204 PolarHBondContact CD2-OG1 3.11Å; H187-T204 PolarHBondContact NE2-OG1 3.02Å; V191-T204 HydrophobicContact CG1-CG2 4.02Å; D193-T204 WeakPolarHBondContact O-CA 3.1Å; V194-T204 HydrophobicContact CB-CG2 3.88Å; V194-T204 HydrophobicContact CG2-CG2 3.71Å; T204-I212 CarbonylContact O-C 3.46Å; T204-I212 WeakPolarHBondContact O-CA 3.29Å; T204-R213 PolarHBondContact N-O 2.81Å; T204-R213 PolarHBondContact O-N 2.91Å; T204-W215 PolarHBondContact OG1-NE1 3.45Å
205C94.9Very high92.3Very high0 Ų028.1 Ų28.10%013%0.125CC..EExtended strand (participates in β ladder)trans-118.8133.2170.562.60000111.5V191 Q192 D193 I212 I235 V238V191-C205 WeakPolarHBondContact CG1-O 3.31Å; Q192-C205 PolarHBondContact N-O 3.38Å; D193-C205 PolarHBondContact O-N 3.13Å; C205-I212 HydrophobicContact CB-CG1 4.39Å; C205-I235 HydrophobicContact CB-CB 4.16Å; C205-I235 HydrophobicContact CB-CG2 3.57Å; C205-I235 PolarHBondContact SG-O 3.09Å; C205-V238 HydrophobicContact CB-CB 4.18Å; C205-V238 HydrophobicContact CB-CG1 4.11Å
206G86Confident92.2Very high0 Ų029.5 Ų29.50%013%0.13CC..EExtended strand (participates in β ladder)trans-95.1122.8171.300000108.3H187 D209 T211H187-G206 PolarHBondContact CE1-N 3.13Å; G206-D209 VanDerWaalsContact CA-OD1 3.3Å; G206-D209 WeakPolarHBondContact CA-OD1 3.24Å; G206-T211 PolarHBondContact N-O 3.47Å
207G88.4Confident92.1Very high0 Ų030.3 Ų30.30%014%0.135CC..THydrogen-bonded Turntrans-63.2-60.9-168.100000111.8P190 S234 I235P190-G207 PolarHBondContact O-N 3.21Å; G207-S234 VanDerWaalsContact C-OG 3.26Å; G207-S234 WeakPolarHBondContact CA-OG 3.22Å; G207-S234 VanDerWaalsContact O-CA 3.25Å; G207-S234 WeakPolarHBondContact O-CA 3.45Å; G207-S234 PolarHBondContact O-OG 3.06Å; G207-I235 PolarHBondContact O-N 3.38Å; G207-I235 VanDerWaalsContact O-N 3.1Å
208R91.3Very high92Very high215 Ų21535.6 Ų35.681%0.81116%0.163SC*.THydrogen-bonded Turntrans-94-2.1-176.1-62-174.7179.8-172.1-1115.4A189 H210A189-R208 HydrophobicContact CB-CB 3.95Å; R208-H210 VanDerWaalsContact C-N 3.34Å
209D92.3Very high92.2Very high22 Ų2239.2 Ų39.212%0.11817%0.173CC..THydrogen-bonded Turntrans-90.8-5.4170.27121.1000112H187 E188 A189 G206 T211H187-D209 IonicContact CE1-OD2 2.68Å; H187-D209 IonicContact CG-OD2 2.68Å; H187-D209 IonicContact ND1-OD1 3.47Å; H187-D209 IonicContact ND1-OD2 2.84Å; H187-D209 PolarHBondContact ND1-OD2 2.85Å; E188-D209 HydrophobicContact CB-CB 3.92Å; E188-D209 PolarHBondContact N-OD2 2.65Å; A189-D209 HydrophobicContact CB-CB 3.9Å; A189-D209 PolarHBondContact N-OD2 2.78Å; G206-D209 VanDerWaalsContact CA-OD1 3.3Å; G206-D209 WeakPolarHBondContact CA-OD1 3.24Å; D209-T211 HydrophobicContact CB-CG2 4.5Å; D209-T211 WeakPolarHBondContact O-CG2 3.44Å; D209-T211 PolarHBondContact O-N 2.77Å; D209-T211 VanDerWaalsContact O-N 3.12Å; D209-T211 WeakPolarHBondContact OD1-CA 3.4Å; D209-T211 WeakPolarHBondContact OD1-CB 3.15Å; D209-T211 PolarHBondContact OD1-N 2.91Å; D209-T211 PolarHBondContact OD1-OG1 3.03Å; D209-T211 PolarHBondContact OD2-OG1 2.97Å
210H92.5Very high92.4Very high51 Ų5142.2 Ų42.224%0.23619%0.194CC..THydrogen-bonded Turntrans53.430.3-179.5-50.7-71.4000112.4R208 T227 E228 G233R208-H210 VanDerWaalsContact C-N 3.34Å; H210-T227 PolarHBondContact O-N 3.46Å; H210-T227 PolarHBondContact O-OG1 3.22Å; H210-T227 VanDerWaalsContact O-OG1 3.09Å; H210-E228 HydrophobicContact CB-CB 4.04Å; H210-G233 PolarHBondContact CE1-O 3.25Å; H210-G233 PolarHBondContact ND1-O 3.44Å
211T94.9Very high92.7Very high2 Ų241.8 Ų41.81%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-110.4139.4175.971.40000112.3H187 G206 D209 R213 V224 F225 Y226H187-T211 PolarHBondContact CE1-OG1 2.92Å; H187-T211 VanDerWaalsContact CE1-OG1 3.24Å; H187-T211 PolarHBondContact ND1-OG1 2.89Å; G206-T211 PolarHBondContact N-O 3.47Å; D209-T211 HydrophobicContact CB-CG2 4.5Å; D209-T211 WeakPolarHBondContact O-CG2 3.44Å; D209-T211 PolarHBondContact O-N 2.77Å; D209-T211 VanDerWaalsContact O-N 3.12Å; D209-T211 WeakPolarHBondContact OD1-CA 3.4Å; D209-T211 WeakPolarHBondContact OD1-CB 3.15Å; D209-T211 PolarHBondContact OD1-N 2.91Å; D209-T211 PolarHBondContact OD1-OG1 3.03Å; D209-T211 PolarHBondContact OD2-OG1 2.97Å; T211-R213 PolarHBondContact OG1-NE 3Å; T211-V224 HydrophobicContact CG2-CG1 3.87Å; T211-F225 WeakPolarHBondContact CA-O 3.31Å; T211-Y226 HydrophobicContact CG2-CD1 3.81Å; T211-Y226 HydrophobicContact CG2-CE1 3.71Å
212I95.7Very high92.8Very high0 Ų042 Ų420%020%0.2CC..EExtended strand (participates in β ladder)trans-107.2135160-55.4159.3000106.4I203 T204 C205 F225 T227 I235 V238 F246 A248I203-I212 HydrophobicContact CD1-CG2 3.67Å; I203-I212 HydrophobicContact CG1-CG2 3.68Å; T204-I212 CarbonylContact O-C 3.46Å; T204-I212 WeakPolarHBondContact O-CA 3.29Å; C205-I212 HydrophobicContact CB-CG1 4.39Å; I212-F225 HydrophobicContact CB-CB 4.41Å; I212-F225 PolarHBondContact N-O 3.29Å; I212-F225 PolarHBondContact O-N 2.91Å; I212-T227 HydrophobicContact CD1-CG2 3.53Å; I212-T227 HydrophobicContact CG1-CG2 3.85Å; I212-I235 HydrophobicContact CG1-CG2 4.29Å; I212-V238 HydrophobicContact CG2-CG2 4.1Å; I212-F246 HydrophobicContact CB-CE2 4.32Å; I212-F246 HydrophobicContact CD1-CE2 3.98Å; I212-F246 HydrophobicContact CG2-CD2 4.2Å; I212-F246 HydrophobicContact CG2-CE2 3.69Å; I212-F246 HydrophobicContact CG2-CZ 4.39Å; I212-A248 HydrophobicContact CD1-CB 3.36Å; I212-A248 HydrophobicContact CG1-CB 4.17Å
213R96Very high92.9Very high13 Ų1344.3 Ų44.35%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-127.6129.1-175.9-59.4-173.1-175-136.57.7109.7G186 H187 I203 T204 T211 W215 L223 V224G186-R213 PolarHBondContact O-NH1 2.89Å; G186-R213 PolarHBondContact O-NH2 3.44Å; H187-R213 PolarHBondContact ND1-NE 2.95Å; I203-R213 CarbonylContact C-O 3.58Å; I203-R213 WeakPolarHBondContact CA-O 3.31Å; T204-R213 PolarHBondContact N-O 2.81Å; T204-R213 PolarHBondContact O-N 2.91Å; T211-R213 PolarHBondContact OG1-NE 3Å; R213-W215 HydrophobicContact CB-CZ2 4.06Å; R213-L223 WeakPolarHBondContact CA-O 3.48Å; R213-V224 HydrophobicContact CG-CG1 4.4Å; R213-V224 HydrophobicContact CG-CG2 4.27Å
214I95.9Very high92.9Very high9 Ų945.4 Ų45.45%0.04622%0.219CC..EExtended strand (participates in β ladder)trans-103.2117.5168.4-62.2174.1000107.6A202 I203 Q222 L223 F225 F246 V260A202-I214 WeakPolarHBondContact O-CA 3.48Å; I203-I214 HydrophobicContact CB-CG1 4.18Å; I203-I214 HydrophobicContact CD1-CD1 4.06Å; I203-I214 HydrophobicContact CD1-CG1 3.68Å; I203-I214 HydrophobicContact CG1-CG1 3.71Å; I214-Q222 CarbonylContact O-C 3.55Å; I214-Q222 WeakPolarHBondContact O-CA 3.11Å; I214-L223 HydrophobicContact CB-CB 4.36Å; I214-L223 PolarHBondContact N-O 3.1Å; I214-L223 PolarHBondContact O-N 3.41Å; I214-F225 HydrophobicContact CD1-CE2 3.85Å; I214-F225 HydrophobicContact CD1-CZ 4.26Å; I214-F225 HydrophobicContact CG1-CE2 4.1Å; I214-F246 HydrophobicContact CD1-CD1 4Å; I214-F246 HydrophobicContact CD1-CE1 3.66Å; I214-F246 HydrophobicContact CD1-CZ 4.35Å; I214-V260 HydrophobicContact CD1-CG2 3.66Å
215W95.4Very high92.8Very high5 Ų545.5 Ų45.52%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-89.5138.9177.5-52.692.9000110.1V170 M184 Y185 R201 A202 T204 R213 Q222V170-W215 HydrophobicContact CG2-CZ2 4.28Å; M184-W215 HydrophobicContact CB-CD2 4Å; M184-W215 HydrophobicContact CB-CE3 3.6Å; M184-W215 HydrophobicContact CB-CH2 4.43Å; M184-W215 HydrophobicContact CB-CZ3 3.83Å; M184-W215 HydrophobicContact CG-CD2 4.48Å; M184-W215 HydrophobicContact CG-CE3 4.09Å; M184-W215 HydrophobicContact SD-CB 3.52Å; M184-W215 VanDerWaalsContact SD-CB 3.52Å; M184-W215 HydrophobicContact SD-CD2 4.11Å; M184-W215 HydrophobicContact SD-CE3 4.22Å; M184-W215 HydrophobicContact SD-CG 3.82Å; Y185-W215 WeakPolarHBondContact O-CH2 3.48Å; Y185-W215 WeakPolarHBondContact O-CZ3 3.47Å; R201-W215 VanDerWaalsContact CA-O 3.24Å; R201-W215 WeakPolarHBondContact CA-O 3.41Å; R201-W215 WeakPolarHBondContact CB-O 3.35Å; A202-W215 PolarHBondContact N-O 3.09Å; A202-W215 PolarHBondContact O-N 3.43Å; T204-W215 PolarHBondContact OG1-NE1 3.45Å; R213-W215 HydrophobicContact CB-CZ2 4.06Å; W215-Q222 HydrophobicContact CD2-CB 4.38Å; W215-Q222 HydrophobicContact CE3-CB 3.73Å; W215-Q222 HydrophobicContact CZ3-CB 3.83Å; W215-Q222 VanDerWaalsContact CZ3-CD 3.48Å; W215-Q222 HydrophobicContact CZ3-CG 4.22Å; W215-Q222 VanDerWaalsContact CZ3-NE2 3.32Å
216K93.2Very high92.7Very high47 Ų4752.1 Ų52.120%0.20425%0.245CC..EExtended strand (participates in β ladder)trans-116.397.5171.8-59-171-163.9171.50108.3L218 E219 D220 S221K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 3.3Å; K216-E219 HydrophobicContact CB-CB 4.12Å; K216-E219 HydrophobicContact CB-CG 4.42Å; K216-E219 HydrophobicContact CD-CB 4.46Å; K216-E219 HydrophobicContact CD-CG 4.2Å; K216-E219 WeakPolarHBondContact CD-OE1 3.5Å; K216-E219 VanDerWaalsContact CD-OE2 3.25Å; K216-E219 WeakPolarHBondContact CD-OE2 3.47Å; K216-E219 WeakPolarHBondContact CE-OE1 3.19Å; K216-E219 IonicContact NZ-OE1 3.56Å; K216-E219 PolarHBondContact NZ-OE1 3.44Å; K216-E219 IonicContact NZ-OE2 3.01Å; K216-E219 PolarHBondContact NZ-OE2 3.29Å; K216-E219 PolarHBondContact O-N 2.52Å; K216-E219 VanDerWaalsContact O-N 3.08Å; K216-D220 PolarHBondContact O-N 3.38Å; K216-S221 PolarHBondContact N-O 3.28Å; K216-S221 PolarHBondContact O-N 2.95Å
217V91.2Very high92.9Very high20 Ų2052.1 Ų52.112%0.12125%0.245CC..G310 helixtrans-57.4-47.1-171-177.40000111.5F162 L172 M184 Q200 E219 D220F162-V217 HydrophobicContact CE1-CG2 3.76Å; F162-V217 HydrophobicContact CZ-CG2 3.85Å; L172-V217 HydrophobicContact CD2-CG1 3.69Å; L172-V217 HydrophobicContact CD2-CG2 4.19Å; M184-V217 HydrophobicContact SD-CG2 4.2Å; Q200-V217 HydrophobicContact CG-CB 4.04Å; Q200-V217 HydrophobicContact CG-CG1 4.49Å; Q200-V217 HydrophobicContact CG-CG2 4.19Å; Q200-V217 PolarHBondContact O-N 2.97Å; V217-E219 PolarHBondContact O-N 2.94Å; V217-E219 VanDerWaalsContact O-N 3.15Å; V217-D220 PolarHBondContact O-N 3.48Å
218L88.6Confident92.8Very high148 Ų14858 Ų5878%0.77527%0.273SS*.G310 helixtrans-66.1-14.4-179.2-65.4174.2000115.2Q200 K216Q200-L218 VanDerWaalsContact OE1-CD2 3.24Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 3.3Å
219E90.2Very high92.4Very high114 Ų11456 Ų5653%0.53327%0.27SS..G310 helixtrans-107.4-4.6179-68-179-146.300112.9K216 V217 S221K216-E219 HydrophobicContact CB-CB 4.12Å; K216-E219 HydrophobicContact CB-CG 4.42Å; K216-E219 HydrophobicContact CD-CB 4.46Å; K216-E219 HydrophobicContact CD-CG 4.2Å; K216-E219 WeakPolarHBondContact CD-OE1 3.5Å; K216-E219 VanDerWaalsContact CD-OE2 3.25Å; K216-E219 WeakPolarHBondContact CD-OE2 3.47Å; K216-E219 WeakPolarHBondContact CE-OE1 3.19Å; K216-E219 IonicContact NZ-OE1 3.56Å; K216-E219 PolarHBondContact NZ-OE1 3.44Å; K216-E219 IonicContact NZ-OE2 3.01Å; K216-E219 PolarHBondContact NZ-OE2 3.29Å; K216-E219 PolarHBondContact O-N 2.52Å; K216-E219 VanDerWaalsContact O-N 3.08Å; V217-E219 PolarHBondContact O-N 2.94Å; V217-E219 VanDerWaalsContact O-N 3.15Å; E219-S221 WeakPolarHBondContact CB-OG 3.46Å; E219-S221 PolarHBondContact O-N 3.47Å; E219-S221 PolarHBondContact OE2-OG 3Å
220D89.8Confident92Very high128 Ų12858.2 Ų58.268%0.68428%0.279SS*.THydrogen-bonded Turntrans4046.7-160.8-169.818.6000112.1K216 V217K216-D220 PolarHBondContact O-N 3.38Å; V217-D220 PolarHBondContact O-N 3.48Å
221S93.6Very high91.4Very high36 Ų3655.9 Ų55.925%0.25227%0.268SS..EExtended strand (participates in β ladder)trans-131.5153.8-170.592.60000112.7K216 E219K216-S221 PolarHBondContact N-O 3.28Å; K216-S221 PolarHBondContact O-N 2.95Å; E219-S221 WeakPolarHBondContact CB-OG 3.46Å; E219-S221 PolarHBondContact O-N 3.47Å; E219-S221 PolarHBondContact OE2-OG 3Å
222Q94Very high90.7Very high69 Ų6964.9 Ų64.932%0.32230%0.302SS..EExtended strand (participates in β ladder)trans-135.6136.4-174.364.7-175-7700112.8Y185 I214 W215 V224Y185-Q222 PolarHBondContact O-NE2 3.43Å; I214-Q222 CarbonylContact O-C 3.55Å; I214-Q222 WeakPolarHBondContact O-CA 3.11Å; W215-Q222 HydrophobicContact CD2-CB 4.38Å; W215-Q222 HydrophobicContact CE3-CB 3.73Å; W215-Q222 HydrophobicContact CZ3-CB 3.83Å; W215-Q222 VanDerWaalsContact CZ3-CD 3.48Å; W215-Q222 HydrophobicContact CZ3-CG 4.22Å; W215-Q222 VanDerWaalsContact CZ3-NE2 3.32Å; Q222-V224 HydrophobicContact CG-CG2 4.39Å
223L94.6Very high90.1Very high50 Ų5066.3 Ų66.326%0.26232%0.317SS..EExtended strand (participates in β ladder)trans-101.6108.2170.8-63.3176.6000109.3R213 I214 F225 V260R213-L223 WeakPolarHBondContact CA-O 3.48Å; I214-L223 HydrophobicContact CB-CB 4.36Å; I214-L223 PolarHBondContact N-O 3.1Å; I214-L223 PolarHBondContact O-N 3.41Å; L223-F225 HydrophobicContact CB-CE2 3.81Å; L223-F225 HydrophobicContact CB-CZ 4.21Å; L223-F225 WeakPolarHBondContact O-CD2 3Å; L223-F225 VanDerWaalsContact O-CE2 3.3Å; L223-F225 WeakPolarHBondContact O-CE2 3.16Å; L223-V260 HydrophobicContact CD1-CG1 3.63Å
224V95.2Very high89.8Confident25 Ų2566.9 Ų66.915%0.15232%0.323CS..EExtended strand (participates in β ladder)trans-88.5137.2177.5-170.40000111.1T211 R213 Q222 Y226 K263T211-V224 HydrophobicContact CG2-CG1 3.87Å; R213-V224 HydrophobicContact CG-CG1 4.4Å; R213-V224 HydrophobicContact CG-CG2 4.27Å; Q222-V224 HydrophobicContact CG-CG2 4.39Å; V224-Y226 HydrophobicContact CB-CE2 4.42Å; V224-Y226 HydrophobicContact CG1-CD2 4.34Å; V224-Y226 HydrophobicContact CG1-CE1 4.19Å; V224-Y226 HydrophobicContact CG1-CE2 3.83Å; V224-K263 PolarHBondContact O-NZ 3.38Å
225F94.6Very high89.6Confident1 Ų166.4 Ų66.40%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-126.5129.5173.7-55.7-99.6000108.3T211 I212 I214 L223 F246 W258 R262 K263T211-F225 WeakPolarHBondContact CA-O 3.31Å; I212-F225 HydrophobicContact CB-CB 4.41Å; I212-F225 PolarHBondContact N-O 3.29Å; I212-F225 PolarHBondContact O-N 2.91Å; I214-F225 HydrophobicContact CD1-CE2 3.85Å; I214-F225 HydrophobicContact CD1-CZ 4.26Å; I214-F225 HydrophobicContact CG1-CE2 4.1Å; L223-F225 HydrophobicContact CB-CE2 3.81Å; L223-F225 HydrophobicContact CB-CZ 4.21Å; L223-F225 WeakPolarHBondContact O-CD2 3Å; L223-F225 VanDerWaalsContact O-CE2 3.3Å; L223-F225 WeakPolarHBondContact O-CE2 3.16Å; F225-F246 HydrophobicContact CD1-CZ 4.18Å; F225-F246 AromaticContact CD2-CZ 3.94Å; F225-F246 HydrophobicContact CD2-CZ 3.94Å; F225-F246 HydrophobicContact CE1-CZ 4.27Å; F225-F246 HydrophobicContact CE2-CE1 4.32Å; F225-F246 HydrophobicContact CE2-CZ 4.05Å; F225-F246 HydrophobicContact CG-CZ 4.03Å; F225-F246 HydrophobicContact CZ-CE1 4.26Å; F225-F246 HydrophobicContact CZ-CZ 4.23Å; F225-W258 HydrophobicContact CB-CE3 4.16Å; F225-W258 HydrophobicContact CB-CH2 4.42Å; F225-W258 HydrophobicContact CB-CZ3 3.95Å; F225-W258 AromaticContact CD1-CE3 3.9Å; F225-W258 HydrophobicContact CD1-CE3 3.9Å; F225-W258 HydrophobicContact CD1-CZ3 4.15Å; F225-W258 HydrophobicContact CG-CE3 4.37Å; F225-R262 WeakPolarHBondContact CD1-O 3.41Å; F225-R262 WeakPolarHBondContact CE1-O 3.35Å; F225-K263 HydrophobicContact CD1-CD 4.33Å; F225-K263 HydrophobicContact CE1-CD 4.42Å
226Y93.7Very high89.3Confident139 Ų13966.7 Ų66.755%0.54532%0.322SS..EExtended strand (participates in β ladder)trans-102.3121.9-175.3-66-87000110.7T211 V224T211-Y226 HydrophobicContact CG2-CD1 3.81Å; T211-Y226 HydrophobicContact CG2-CE1 3.71Å; V224-Y226 HydrophobicContact CB-CE2 4.42Å; V224-Y226 HydrophobicContact CG1-CD2 4.34Å; V224-Y226 HydrophobicContact CG1-CE1 4.19Å; V224-Y226 HydrophobicContact CG1-CE2 3.83Å
227T90.2Very high89.2Confident0 Ų064.5 Ų64.50%031%0.313CS..  trans-93-21.5-173.966.50000113.9H210 I212 K229 F230 C231 I235 W258H210-T227 PolarHBondContact O-N 3.46Å; H210-T227 PolarHBondContact O-OG1 3.22Å; H210-T227 VanDerWaalsContact O-OG1 3.09Å; I212-T227 HydrophobicContact CD1-CG2 3.53Å; I212-T227 HydrophobicContact CG1-CG2 3.85Å; T227-K229 PolarHBondContact O-N 3.05Å; T227-F230 CarbonylContact O-C 3.58Å; T227-F230 WeakPolarHBondContact O-CA 3.43Å; T227-F230 PolarHBondContact O-N 2.89Å; T227-C231 PolarHBondContact O-N 3.19Å; T227-I235 HydrophobicContact CG2-CD1 4.05Å; T227-I235 HydrophobicContact CG2-CG1 3.97Å; T227-I235 WeakPolarHBondContact OG1-CD1 3.5Å; T227-I235 VanDerWaalsContact OG1-CG1 3.29Å; T227-I235 WeakPolarHBondContact OG1-CG1 3.3Å; T227-W258 HydrophobicContact CG2-CZ2 3.92Å
228E85.9Confident89.2Confident124 Ų12463.5 Ų63.558%0.57931%0.307SS*.THydrogen-bonded Turntrans-47.7-37.5-172.5-175-169.1-152.100114.2H210 F230H210-E228 HydrophobicContact CB-CB 4.04Å; E228-F230 PolarHBondContact O-N 3.15Å
229K84Confident89.3Confident174 Ų17458.7 Ų58.776%0.75728%0.278SS*.THydrogen-bonded Turntrans-78.6-0.8-179.6-60.8-175.6-179.5-179.70114.5T227T227-K229 PolarHBondContact O-N 3.05Å
230F82.7Confident89.2Confident68 Ų6853.7 Ų53.730%0.29826%0.255SS..THydrogen-bonded Turntrans-139.3-33.9-167.2-53-67.9000113.9T227 E228 C254 W258 P265 V268T227-F230 CarbonylContact O-C 3.58Å; T227-F230 WeakPolarHBondContact O-CA 3.43Å; T227-F230 PolarHBondContact O-N 2.89Å; E228-F230 PolarHBondContact O-N 3.15Å; F230-C254 PolarHBondContact O-SG 3.02Å; F230-C254 VanDerWaalsContact O-SG 3.37Å; F230-W258 AromaticContact CD2-CH2 3.99Å; F230-W258 HydrophobicContact CD2-CH2 3.99Å; F230-W258 HydrophobicContact CD2-CZ2 4.47Å; F230-W258 HydrophobicContact CE2-CH2 4.29Å; F230-P265 HydrophobicContact CB-CG 3.94Å; F230-P265 HydrophobicContact CD1-CG 3.78Å; F230-P265 VanDerWaalsContact CD2-CD 3.48Å; F230-P265 HydrophobicContact CD2-CG 4.01Å; F230-P265 HydrophobicContact CE1-CG 4.28Å; F230-P265 HydrophobicContact CE2-CG 4.47Å; F230-P265 HydrophobicContact CG-CG 3.63Å; F230-V268 HydrophobicContact CB-CG2 4.3Å; F230-V268 WeakPolarHBondContact O-CG1 3.24Å
231C80.5Confident88.8Confident2 Ų248.8 Ų48.81%0.01423%0.229CC..  trans-133.1140.9170.4-74.20000109.7T227 I235 C254T227-C231 PolarHBondContact O-N 3.19Å; C231-I235 HydrophobicContact CB-CD1 4.45Å; C231-C254 WeakPolarHBondContact CA-SG 3.24Å; C231-C254 HydrophobicContact CB-CB 3.62Å; C231-C254 WeakPolarHBondContact CB-SG 3.27Å; C231-C254 WeakPolarHBondContact SG-CB 3.09Å; C231-C254 CovalentContact SG-SG 2.04Å; C231-C254 PolarHBondContact SG-SG 3.24Å
232W79.2Confident88.2Confident190 Ų19047.9 Ų47.972%0.7222%0.222SC*.  trans-92.2162.7175.8-60-23.5000111.6S252W232-S252 WeakPolarHBondContact O-CB 3.21Å; W232-S252 PolarHBondContact O-OG 2.87Å
233G84.4Confident87.7Confident31 Ų3145.6 Ų45.632%0.3221%0.212SC..SBendtrans73.1-168.3179.200000114.1H210 S251H210-G233 PolarHBondContact CE1-O 3.25Å; H210-G233 PolarHBondContact ND1-O 3.44Å; G233-S251 WeakPolarHBondContact CA-OG 3.38Å
234S89.2Confident87.1Confident24 Ų2445.6 Ų45.617%0.16821%0.212CC..  trans-78141.4-172.7-173.80000111.2G207 D236 S250 S251G207-S234 VanDerWaalsContact C-OG 3.26Å; G207-S234 WeakPolarHBondContact CA-OG 3.22Å; G207-S234 VanDerWaalsContact O-CA 3.25Å; G207-S234 WeakPolarHBondContact O-CA 3.45Å; G207-S234 PolarHBondContact O-OG 3.06Å; S234-D236 WeakPolarHBondContact CB-OD1 3.35Å; S234-D236 PolarHBondContact O-N 3.09Å; S234-D236 PolarHBondContact OG-OD1 2.94Å; S234-S250 CarbonylContact O-C 3.51Å; S234-S250 WeakPolarHBondContact O-CA 3.49Å; S234-S250 WeakPolarHBondContact O-CB 3.17Å; S234-S251 PolarHBondContact N-OG 2.9Å; S234-S251 PolarHBondContact O-N 3.04Å
235I91.9Very high86.7Confident0 Ų046.2 Ų46.20%021%0.213CC..EExtended strand (participates in β ladder)trans-90.496.2171.7-49.1-57.3000109.1C205 G207 I212 T227 C231 A248C205-I235 HydrophobicContact CB-CB 4.16Å; C205-I235 HydrophobicContact CB-CG2 3.57Å; C205-I235 PolarHBondContact SG-O 3.09Å; G207-I235 PolarHBondContact O-N 3.38Å; G207-I235 VanDerWaalsContact O-N 3.1Å; I212-I235 HydrophobicContact CG1-CG2 4.29Å; T227-I235 HydrophobicContact CG2-CD1 4.05Å; T227-I235 HydrophobicContact CG2-CG1 3.97Å; T227-I235 WeakPolarHBondContact OG1-CD1 3.5Å; T227-I235 VanDerWaalsContact OG1-CG1 3.29Å; T227-I235 WeakPolarHBondContact OG1-CG1 3.3Å; C231-I235 HydrophobicContact CB-CD1 4.45Å; I235-A248 HydrophobicContact CG2-CB 3.97Å
236D89.2Confident86.3Confident11 Ų1146.2 Ų46.26%0.05921%0.213CC..EExtended strand (participates in β ladder)trans-95.4-9.7-165.3-66.3-24.7000114S234 G249 S251S234-D236 WeakPolarHBondContact CB-OD1 3.35Å; S234-D236 PolarHBondContact O-N 3.09Å; S234-D236 PolarHBondContact OG-OD1 2.94Å; D236-G249 PolarHBondContact N-O 3.09Å; D236-G249 VanDerWaalsContact N-O 3.14Å; D236-S251 WeakPolarHBondContact OD2-CB 3.15Å
237T90.5Very high86Confident0 Ų039.7 Ų39.70%019%0.188CC..EExtended strand (participates in β ladder)trans-161.4146.4-179.9177.70000113.1D193 A248 G249 I283 L286D193-T237 WeakPolarHBondContact OD2-CA 3.44Å; D193-T237 WeakPolarHBondContact OD2-CB 3.46Å; D193-T237 PolarHBondContact OD2-OG1 2.77Å; T237-A248 WeakPolarHBondContact O-CA 3.39Å; T237-G249 PolarHBondContact O-N 3.44Å; T237-I283 HydrophobicContact CG2-CG2 4Å; T237-I283 WeakPolarHBondContact CG2-O 3.36Å; T237-L286 HydrophobicContact CG2-CD1 3.91Å; T237-L286 HydrophobicContact CG2-CG 3.63Å
238V92.4Very high86Confident0 Ų039.7 Ų39.70%019%0.188CC..EExtended strand (participates in β ladder)trans-144.3139.1-178.864.70000111.3D193 I203 C205 I212 F246 V247 A248D193-V238 HydrophobicContact CB-CG1 4.37Å; D193-V238 PolarHBondContact OD2-N 2.89Å; D193-V238 VanDerWaalsContact OD2-N 3.08Å; I203-V238 HydrophobicContact CD1-CG2 3.75Å; I203-V238 HydrophobicContact CG1-CG2 3.92Å; I203-V238 HydrophobicContact CG2-CG1 4.15Å; I203-V238 HydrophobicContact CG2-CG2 4.05Å; C205-V238 HydrophobicContact CB-CB 4.18Å; C205-V238 HydrophobicContact CB-CG1 4.11Å; I212-V238 HydrophobicContact CG2-CG2 4.1Å; V238-F246 HydrophobicContact CG2-CD2 4.35Å; V238-V247 CarbonylContact C-O 3.56Å; V238-V247 WeakPolarHBondContact CA-O 3.33Å; V238-V247 WeakPolarHBondContact CG2-O 3.33Å; V238-A248 HydrophobicContact CB-CB 4.49Å; V238-A248 HydrophobicContact CG2-CB 4.3Å
239R90.4Very high86Confident46 Ų4633.8 Ų33.817%0.17416%0.16CC..EExtended strand (participates in β ladder)trans-137.4141.5174.5-65.8-68.7168.7-111.53.7112.7D193 V194 D195 F246 V247 L286D193-R239 IonicContact OD1-CZ 3.73Å; D193-R239 IonicContact OD1-NH1 2.63Å; D193-R239 PolarHBondContact OD1-NH1 3.18Å; D193-R239 IonicContact OD1-NH2 3.12Å; D193-R239 PolarHBondContact OD1-NH2 2.79Å; D193-R239 IonicContact OD2-CZ 2.7Å; D193-R239 IonicContact OD2-NH1 3.62Å; D193-R239 PolarHBondContact OD2-NH1 3.28Å; D193-R239 VanDerWaalsContact OD2-NH1 3.12Å; D193-R239 IonicContact OD2-NH2 3.1Å; D193-R239 PolarHBondContact OD2-NH2 2.7Å; V194-R239 PolarHBondContact O-NH1 3.49Å; D195-R239 VanDerWaalsContact OD2-CA 3.24Å; D195-R239 WeakPolarHBondContact OD2-CA 3.38Å; D195-R239 VanDerWaalsContact OD2-CD 3.31Å; D195-R239 WeakPolarHBondContact OD2-CD 3.43Å; R239-F246 CarbonylContact O-C 3.59Å; R239-F246 VanDerWaalsContact O-CA 3.31Å; R239-F246 WeakPolarHBondContact O-CA 3.29Å; R239-F246 WeakPolarHBondContact O-CB 3.12Å; R239-V247 HydrophobicContact CB-CG2 4.27Å; R239-V247 PolarHBondContact N-O 3.45Å; R239-V247 PolarHBondContact O-N 2.82Å; R239-L286 HydrophobicContact CB-CB 4.29Å; R239-L286 HydrophobicContact CG-CB 3.45Å; R239-L286 VanDerWaalsContact CG-CB 3.45Å; R239-L286 HydrophobicContact CG-CD1 4.41Å; R239-L286 PolarHBondContact NE-O 2.88Å
240L87.5Confident86.1Confident10 Ų1025.5 Ų25.55%0.05212%0.124CC..EExtended strand (participates in β ladder)trans-77.4134.9169.5-72.2158000109.6D195 L197 I203 F246 S288D195-L240 PolarHBondContact OD2-N 3.48Å; L197-L240 HydrophobicContact CB-CD1 4.34Å; L197-L240 HydrophobicContact CD1-CB 3.63Å; L197-L240 HydrophobicContact CD1-CD1 4.3Å; L197-L240 HydrophobicContact CD1-CG 4.39Å; L197-L240 HydrophobicContact CD2-CB 4.4Å; L197-L240 HydrophobicContact CG-CB 3.72Å; L197-L240 HydrophobicContact CG-CD1 3.83Å; L197-L240 HydrophobicContact CG-CG 4.34Å; I203-L240 HydrophobicContact CB-CG 4.43Å; I203-L240 HydrophobicContact CG2-CD1 3.95Å; I203-L240 HydrophobicContact CG2-CD2 4.27Å; I203-L240 HydrophobicContact CG2-CG 3.72Å; L240-F246 HydrophobicContact CD2-CB 4.21Å; L240-S288 WeakPolarHBondContact O-CB 3.4Å; L240-S288 PolarHBondContact O-OG 3.42Å
241I81.5Confident86.1Confident24 Ų2423.7 Ų23.712%0.12312%0.12CC..EExtended strand (participates in β ladder)trans-99-38171.8-68.1-178.5000109.6H245 V247 L257 M291 A293I241-H245 HydrophobicContact CB-CB 4.48Å; I241-H245 PolarHBondContact N-O 3.24Å; I241-V247 HydrophobicContact CD1-CB 4.49Å; I241-V247 HydrophobicContact CD1-CG1 3.67Å; I241-V247 HydrophobicContact CD1-CG2 4.17Å; I241-V247 HydrophobicContact CG1-CG2 4.28Å; I241-L257 HydrophobicContact CD1-CD1 3.99Å; I241-M291 HydrophobicContact CG2-CB 4.09Å; I241-M291 WeakPolarHBondContact CG2-O 3.24Å; I241-M291 WeakPolarHBondContact O-CG 3.39Å; I241-A293 HydrophobicContact CD1-CB 3.83Å; I241-A293 HydrophobicContact CG1-CB 4.15Å
242S80.3Confident86.1Confident17 Ų1724.2 Ų24.212%0.11912%0.123CC..EExtended strand (participates in β ladder)trans-153.6171.9173.159.20000108L197 D244 H245L197-S242 VanDerWaalsContact CD1-C 3.5Å; S242-D244 PolarHBondContact O-N 2.9Å; S242-H245 PolarHBondContact N-O 2.96Å; S242-H245 VanDerWaalsContact N-O 3.12Å; S242-H245 PolarHBondContact O-N 2.92Å; S242-H245 VanDerWaalsContact O-N 3.17Å; S242-H245 WeakPolarHBondContact OG-CB 3.45Å; S242-H245 PolarHBondContact OG-N 3.27Å; S242-H245 PolarHBondContact OG-ND1 2.86Å
243E83.4Confident85.9Confident21 Ų2115.2 Ų15.210%0.0989%0.09CC..THydrogen-bonded Turntrans-58-16.6178.6-67.8-70.6175.700114.8Y32 L197 A198 R199Y32-E243 HydrophobicContact CD1-CG 4.36Å; Y32-E243 HydrophobicContact CE1-CG 4.08Å; L197-E243 VanDerWaalsContact CB-OE1 3.27Å; L197-E243 WeakPolarHBondContact CB-OE1 3.17Å; L197-E243 HydrophobicContact CD1-CG 4.49Å; A198-E243 PolarHBondContact N-OE1 3.03Å; R199-E243 WeakPolarHBondContact CB-OE2 3.24Å; R199-E243 VanDerWaalsContact CD-OE2 3.28Å; R199-E243 WeakPolarHBondContact CD-OE2 3.23Å; R199-E243 VanDerWaalsContact CG-CD 3.46Å; R199-E243 HydrophobicContact CG-CG 4.19Å; R199-E243 WeakPolarHBondContact CG-OE2 3.34Å; R199-E243 PolarHBondContact N-OE1 3.35Å; R199-E243 VanDerWaalsContact NH1-CB 3.35Å
244D83.7Confident85.8Confident51 Ų5113.9 Ų13.927%0.2738%0.076SC..THydrogen-bonded Turntrans-118.5-1.2-177.8-53.2-36.6000113.8R199 S242 S259 V260 F261R199-D244 IonicContact NH1-OD1 2.89Å; R199-D244 PolarHBondContact NH1-OD1 3.13Å; S242-D244 PolarHBondContact O-N 2.9Å; D244-S259 VanDerWaalsContact O-CA 3.25Å; D244-S259 WeakPolarHBondContact O-CA 3.35Å; D244-S259 PolarHBondContact O-OG 3.3Å; D244-S259 VanDerWaalsContact O-OG 3.1Å; D244-V260 PolarHBondContact O-N 3.43Å; D244-F261 HydrophobicContact CB-CE2 3.76Å; D244-F261 HydrophobicContact CB-CZ 4.12Å
245H84.9Confident85.5Confident38 Ų3813 Ų1318%0.1767%0.069CC..EExtended strand (participates in β ladder)trans-141.6138-177.4-61.287.6000113.3I241 S242 W258I241-H245 HydrophobicContact CB-CB 4.48Å; I241-H245 PolarHBondContact N-O 3.24Å; S242-H245 PolarHBondContact N-O 2.96Å; S242-H245 VanDerWaalsContact N-O 3.12Å; S242-H245 PolarHBondContact O-N 2.92Å; S242-H245 VanDerWaalsContact O-N 3.17Å; S242-H245 WeakPolarHBondContact OG-CB 3.45Å; S242-H245 PolarHBondContact OG-N 3.27Å; S242-H245 PolarHBondContact OG-ND1 2.86Å; H245-W258 WeakPolarHBondContact CA-O 2.38Å
246F88Confident85.2Confident0 Ų013 Ų130%07%0.069CC..EExtended strand (participates in β ladder)trans-144.5158.3-178.358.4-85.6000112.3I203 I212 I214 F225 V238 R239 L240 W258 V260I203-F246 HydrophobicContact CD1-CB 3.66Å; I203-F246 HydrophobicContact CD1-CD1 3.73Å; I203-F246 HydrophobicContact CD1-CD2 3.33Å; I203-F246 HydrophobicContact CD1-CE1 4.15Å; I203-F246 HydrophobicContact CD1-CE2 3.78Å; I203-F246 HydrophobicContact CD1-CG 3.29Å; I203-F246 HydrophobicContact CD1-CZ 4.15Å; I212-F246 HydrophobicContact CB-CE2 4.32Å; I212-F246 HydrophobicContact CD1-CE2 3.98Å; I212-F246 HydrophobicContact CG2-CD2 4.2Å; I212-F246 HydrophobicContact CG2-CE2 3.69Å; I212-F246 HydrophobicContact CG2-CZ 4.39Å; I214-F246 HydrophobicContact CD1-CD1 4Å; I214-F246 HydrophobicContact CD1-CE1 3.66Å; I214-F246 HydrophobicContact CD1-CZ 4.35Å; F225-F246 HydrophobicContact CD1-CZ 4.18Å; F225-F246 AromaticContact CD2-CZ 3.94Å; F225-F246 HydrophobicContact CD2-CZ 3.94Å; F225-F246 HydrophobicContact CE1-CZ 4.27Å; F225-F246 HydrophobicContact CE2-CE1 4.32Å; F225-F246 HydrophobicContact CE2-CZ 4.05Å; F225-F246 HydrophobicContact CG-CZ 4.03Å; F225-F246 HydrophobicContact CZ-CE1 4.26Å; F225-F246 HydrophobicContact CZ-CZ 4.23Å; V238-F246 HydrophobicContact CG2-CD2 4.35Å; R239-F246 CarbonylContact O-C 3.59Å; R239-F246 VanDerWaalsContact O-CA 3.31Å; R239-F246 WeakPolarHBondContact O-CA 3.29Å; R239-F246 WeakPolarHBondContact O-CB 3.12Å; L240-F246 HydrophobicContact CD2-CB 4.21Å; F246-W258 HydrophobicContact CD1-CB 4.01Å; F246-W258 HydrophobicContact CD2-CB 3.7Å; F246-W258 HydrophobicContact CD2-CG 4.03Å; F246-W258 HydrophobicContact CE1-CB 3.62Å; F246-W258 HydrophobicContact CE2-CB 3.29Å; F246-W258 AromaticContact CE2-CD1 3.67Å; F246-W258 HydrophobicContact CE2-CD2 4.13Å; F246-W258 AromaticContact CE2-CG 3.42Å; F246-W258 HydrophobicContact CE2-CG 3.42Å; F246-W258 VanDerWaalsContact CE2-CG 3.42Å; F246-W258 HydrophobicContact CG-CB 4.05Å; F246-W258 HydrophobicContact CZ-CB 3.27Å; F246-W258 HydrophobicContact CZ-CD2 4.27Å; F246-W258 AromaticContact CZ-CG 3.74Å; F246-W258 HydrophobicContact CZ-CG 3.74Å; F246-W258 PolarHBondContact N-O 3.48Å; F246-W258 PolarHBondContact O-N 3.43Å; F246-V260 HydrophobicContact CE1-CG2 4.46Å
247V87.3Confident85Confident2 Ų212.5 Ų12.51%0.0127%0.067CC..EExtended strand (participates in β ladder)trans-118.8146.7172.4-77.50000111V238 R239 I241 L255 S256 L257 L286 A293 F295V238-V247 CarbonylContact C-O 3.56Å; V238-V247 WeakPolarHBondContact CA-O 3.33Å; V238-V247 WeakPolarHBondContact CG2-O 3.33Å; R239-V247 HydrophobicContact CB-CG2 4.27Å; R239-V247 PolarHBondContact N-O 3.45Å; R239-V247 PolarHBondContact O-N 2.82Å; I241-V247 HydrophobicContact CD1-CB 4.49Å; I241-V247 HydrophobicContact CD1-CG1 3.67Å; I241-V247 HydrophobicContact CD1-CG2 4.17Å; I241-V247 HydrophobicContact CG1-CG2 4.28Å; V247-L255 HydrophobicContact CB-CD1 4.2Å; V247-L255 HydrophobicContact CG1-CD1 4.35Å; V247-S256 CarbonylContact C-O 3.56Å; V247-S256 VanDerWaalsContact CA-O 3.32Å; V247-S256 WeakPolarHBondContact CA-O 3.43Å; V247-L257 HydrophobicContact CG1-CB 4.08Å; V247-L257 HydrophobicContact CG1-CD1 3.63Å; V247-L257 HydrophobicContact CG1-CG 4.43Å; V247-L286 HydrophobicContact CG2-CD1 4.28Å; V247-A293 HydrophobicContact CG1-CB 4.37Å; V247-A293 HydrophobicContact CG2-CB 3.69Å; V247-F295 HydrophobicContact CB-CE1 4.41Å; V247-F295 HydrophobicContact CG1-CZ 4.3Å; V247-F295 HydrophobicContact CG2-CE1 4.33Å; V247-F295 HydrophobicContact CG2-CZ 4.44Å
248A89.1Confident84.9Confident0 Ų012.5 Ų12.50%07%0.067CC..EExtended strand (participates in β ladder)trans-133.5136.2174.300000111.1I212 I235 T237 V238 S256I212-A248 HydrophobicContact CD1-CB 3.36Å; I212-A248 HydrophobicContact CG1-CB 4.17Å; I235-A248 HydrophobicContact CG2-CB 3.97Å; T237-A248 WeakPolarHBondContact O-CA 3.39Å; V238-A248 HydrophobicContact CB-CB 4.49Å; V238-A248 HydrophobicContact CG2-CB 4.3Å; A248-S256 PolarHBondContact N-O 2.9Å; A248-S256 PolarHBondContact O-N 2.78Å; A248-S256 PolarHBondContact O-OG 3.18Å
249G86.2Confident84.6Confident0 Ų012.7 Ų12.70%07%0.068CC..EExtended strand (participates in β ladder)trans-105.8140.4179.800000111.3D236 T237D236-G249 PolarHBondContact N-O 3.09Å; D236-G249 VanDerWaalsContact N-O 3.14Å; T237-G249 PolarHBondContact O-N 3.44Å
250S86.5Confident84.6Confident0 Ų011.7 Ų11.70%07%0.067CC..EExtended strand (participates in β ladder)trans-115.9161-179.666.10000113.3S234 S252 G253 C254 I283S234-S250 CarbonylContact O-C 3.51Å; S234-S250 WeakPolarHBondContact O-CA 3.49Å; S234-S250 WeakPolarHBondContact O-CB 3.17Å; S250-S252 PolarHBondContact O-N 3.3Å; S250-G253 PolarHBondContact O-N 2.89Å; S250-G253 VanDerWaalsContact O-N 3.1Å; S250-C254 PolarHBondContact N-O 3.38Å; S250-C254 WeakPolarHBondContact OG-CA 3.1Å; S250-C254 VanDerWaalsContact OG-CB 3.28Å; S250-C254 WeakPolarHBondContact OG-CB 3.46Å; S250-C254 PolarHBondContact OG-N 2.82Å; S250-C254 VanDerWaalsContact OG-N 3.07Å; S250-C254 PolarHBondContact OG-O 3.45Å; S250-I283 PolarHBondContact O-N 3.27Å
251S83.3Confident84.6Confident31 Ų3118.5 Ų18.522%0.21710%0.096CC..THydrogen-bonded Turntrans-65.2-18.7176.275.50000113.7G233 S234 D236 G253G233-S251 WeakPolarHBondContact CA-OG 3.38Å; S234-S251 PolarHBondContact N-OG 2.9Å; S234-S251 PolarHBondContact O-N 3.04Å; D236-S251 WeakPolarHBondContact OD2-CB 3.15Å; S251-G253 VanDerWaalsContact C-N 3.29Å
252S79.5Confident84.9Confident12 Ų1221.4 Ų21.48%0.08411%0.106CC..THydrogen-bonded Turntrans-85.42.8174.488.50000113.4W232 S250 C254 E280W232-S252 WeakPolarHBondContact O-CB 3.21Å; W232-S252 PolarHBondContact O-OG 2.87Å; S250-S252 PolarHBondContact O-N 3.3Å; S252-C254 PolarHBondContact O-N 2.86Å; S252-C254 WeakPolarHBondContact OG-CB 3.42Å; S252-C254 PolarHBondContact OG-N 2.83Å; S252-E280 WeakPolarHBondContact CB-OE2 3.46Å; S252-E280 WeakPolarHBondContact O-CB 3.33Å
253G75.9Confident85.4Confident2 Ų226.7 Ų26.72%0.02113%0.126CC..SBendtrans75.15.7-172.700000114.5S250 S251 L255 E270 A272 G281S250-G253 PolarHBondContact O-N 2.89Å; S250-G253 VanDerWaalsContact O-N 3.1Å; S251-G253 VanDerWaalsContact C-N 3.29Å; G253-L255 PolarHBondContact O-N 3.23Å; G253-E270 CarbonylContact C-O 3.48Å; G253-A272 WeakPolarHBondContact O-CB 2.27Å; G253-A272 PolarHBondContact O-N 2.92Å; G253-G281 WeakPolarHBondContact CA-O 3.46Å; G253-G281 PolarHBondContact N-O 3.29Å
254C82.1Confident85.7Confident3 Ų327.7 Ų27.72%0.0214%0.136CC..  trans-74.8116172.3177.60000109.8F230 C231 S250 S252 V268 S269 E270 I283F230-C254 PolarHBondContact O-SG 3.02Å; F230-C254 VanDerWaalsContact O-SG 3.37Å; C231-C254 WeakPolarHBondContact CA-SG 3.24Å; C231-C254 HydrophobicContact CB-CB 3.62Å; C231-C254 WeakPolarHBondContact CB-SG 3.27Å; C231-C254 WeakPolarHBondContact SG-CB 3.09Å; C231-C254 CovalentContact SG-SG 2.04Å; C231-C254 PolarHBondContact SG-SG 3.24Å; S250-C254 PolarHBondContact N-O 3.38Å; S250-C254 WeakPolarHBondContact OG-CA 3.1Å; S250-C254 VanDerWaalsContact OG-CB 3.28Å; S250-C254 WeakPolarHBondContact OG-CB 3.46Å; S250-C254 PolarHBondContact OG-N 2.82Å; S250-C254 VanDerWaalsContact OG-N 3.07Å; S250-C254 PolarHBondContact OG-O 3.45Å; S252-C254 PolarHBondContact O-N 2.86Å; S252-C254 WeakPolarHBondContact OG-CB 3.42Å; S252-C254 PolarHBondContact OG-N 2.83Å; C254-V268 WeakPolarHBondContact SG-CG1 2.42Å; C254-S269 WeakPolarHBondContact CA-O 3.17Å; C254-E270 VanDerWaalsContact CA-O 3.29Å; C254-E270 WeakPolarHBondContact CA-O 3.5Å; C254-E270 PolarHBondContact N-O 2.73Å; C254-I283 WeakPolarHBondContact O-CD1 3.36Å
255L82.5Confident85.8Confident4 Ų425.9 Ų25.92%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-94.5125.9172.5167.258.8000109.1V247 G253 V268 S269 A272 I283 F295V247-L255 HydrophobicContact CB-CD1 4.2Å; V247-L255 HydrophobicContact CG1-CD1 4.35Å; G253-L255 PolarHBondContact O-N 3.23Å; L255-V268 CarbonylContact O-C 3.57Å; L255-V268 WeakPolarHBondContact O-CA 3.26Å; L255-S269 PolarHBondContact N-O 2.82Å; L255-S269 PolarHBondContact O-N 2.63Å; L255-A272 HydrophobicContact CB-CB 3.85Å; L255-I283 HydrophobicContact CB-CD1 3.89Å; L255-F295 HydrophobicContact CD1-CD1 3.83Å; L255-F295 HydrophobicContact CD1-CE1 3.19Å; L255-F295 HydrophobicContact CD1-CZ 3.8Å; L255-F295 HydrophobicContact CD2-CD1 3.76Å; L255-F295 HydrophobicContact CD2-CD2 4.15Å; L255-F295 HydrophobicContact CD2-CE1 3.48Å; L255-F295 VanDerWaalsContact CD2-CE1 3.48Å; L255-F295 HydrophobicContact CD2-CE2 3.82Å; L255-F295 HydrophobicContact CD2-CG 4.13Å; L255-F295 HydrophobicContact CD2-CZ 3.48Å; L255-F295 VanDerWaalsContact CD2-CZ 3.48Å; L255-F295 HydrophobicContact CG-CD1 4.38Å; L255-F295 HydrophobicContact CG-CE1 3.96Å; L255-F295 HydrophobicContact CG-CZ 4.28Å
256S84.7Confident85.6Confident1 Ų125.1 Ų25.11%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-117.4138.4174.560.70000111.7V247 A248 W258V247-S256 CarbonylContact C-O 3.56Å; V247-S256 VanDerWaalsContact CA-O 3.32Å; V247-S256 WeakPolarHBondContact CA-O 3.43Å; A248-S256 PolarHBondContact N-O 2.9Å; A248-S256 PolarHBondContact O-N 2.78Å; A248-S256 PolarHBondContact O-OG 3.18Å; S256-W258 VanDerWaalsContact CB-NE1 3.29Å; S256-W258 PolarHBondContact OG-NE1 2.83Å
257L85.6Confident85.1Confident1 Ų129.6 Ų29.61%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-115.1135.4176.1169.564.3000108.1I241 V247 P265 A266 F267 P317 V319I241-L257 HydrophobicContact CD1-CD1 3.99Å; V247-L257 HydrophobicContact CG1-CB 4.08Å; V247-L257 HydrophobicContact CG1-CD1 3.63Å; V247-L257 HydrophobicContact CG1-CG 4.43Å; L257-P265 CarbonylContact O-C 3.59Å; L257-P265 WeakPolarHBondContact O-CA 2.44Å; L257-P265 WeakPolarHBondContact O-CB 3.09Å; L257-A266 HydrophobicContact CG-CB 4.18Å; L257-A266 WeakPolarHBondContact O-CA 2.38Å; L257-A266 WeakPolarHBondContact O-CB 3.41Å; L257-A266 PolarHBondContact O-N 3.17Å; L257-F267 HydrophobicContact CB-CB 4.28Å; L257-F267 HydrophobicContact CD2-CB 4.27Å; L257-F267 PolarHBondContact N-O 3.36Å; L257-F267 PolarHBondContact O-N 3.13Å; L257-P317 HydrophobicContact CD1-CG 4.42Å; L257-P317 HydrophobicContact CD2-CB 3.92Å; L257-P317 HydrophobicContact CD2-CG 4.03Å; L257-V319 HydrophobicContact CD2-CG2 3.64Å
258W88.3Confident84.9Confident0 Ų031.4 Ų31.40%016%0.158CC..EExtended strand (participates in β ladder)trans-133.5163.7-169.7-63.482000111.9F225 T227 F230 H245 F246 S256 P265F225-W258 HydrophobicContact CB-CE3 4.16Å; F225-W258 HydrophobicContact CB-CH2 4.42Å; F225-W258 HydrophobicContact CB-CZ3 3.95Å; F225-W258 AromaticContact CD1-CE3 3.9Å; F225-W258 HydrophobicContact CD1-CE3 3.9Å; F225-W258 HydrophobicContact CD1-CZ3 4.15Å; F225-W258 HydrophobicContact CG-CE3 4.37Å; T227-W258 HydrophobicContact CG2-CZ2 3.92Å; F230-W258 AromaticContact CD2-CH2 3.99Å; F230-W258 HydrophobicContact CD2-CH2 3.99Å; F230-W258 HydrophobicContact CD2-CZ2 4.47Å; F230-W258 HydrophobicContact CE2-CH2 4.29Å; H245-W258 WeakPolarHBondContact CA-O 2.38Å; F246-W258 HydrophobicContact CD1-CB 4.01Å; F246-W258 HydrophobicContact CD2-CB 3.7Å; F246-W258 HydrophobicContact CD2-CG 4.03Å; F246-W258 HydrophobicContact CE1-CB 3.62Å; F246-W258 HydrophobicContact CE2-CB 3.29Å; F246-W258 AromaticContact CE2-CD1 3.67Å; F246-W258 HydrophobicContact CE2-CD2 4.13Å; F246-W258 AromaticContact CE2-CG 3.42Å; F246-W258 HydrophobicContact CE2-CG 3.42Å; F246-W258 VanDerWaalsContact CE2-CG 3.42Å; F246-W258 HydrophobicContact CG-CB 4.05Å; F246-W258 HydrophobicContact CZ-CB 3.27Å; F246-W258 HydrophobicContact CZ-CD2 4.27Å; F246-W258 AromaticContact CZ-CG 3.74Å; F246-W258 HydrophobicContact CZ-CG 3.74Å; F246-W258 PolarHBondContact N-O 3.48Å; F246-W258 PolarHBondContact O-N 3.43Å; S256-W258 VanDerWaalsContact CB-NE1 3.29Å; S256-W258 PolarHBondContact OG-NE1 2.83Å; W258-P265 HydrophobicContact CD2-CB 4.01Å; W258-P265 HydrophobicContact CE3-CB 4.28Å; W258-P265 HydrophobicContact CH2-CB 4.34Å; W258-P265 HydrophobicContact CH2-CG 4.3Å; W258-P265 HydrophobicContact CZ2-CB 4.04Å; W258-P265 HydrophobicContact CZ2-CG 4.23Å; W258-P265 HydrophobicContact CZ3-CB 4.45Å
259S87.1Confident84.3Confident3 Ų331.9 Ų31.92%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-135.2143.7168.1176.30000109.2D244 F261 R262D244-S259 VanDerWaalsContact O-CA 3.25Å; D244-S259 WeakPolarHBondContact O-CA 3.35Å; D244-S259 PolarHBondContact O-OG 3.3Å; D244-S259 VanDerWaalsContact O-OG 3.1Å; S259-F261 PolarHBondContact O-N 3.26Å; S259-F261 VanDerWaalsContact O-N 3.09Å; S259-F261 WeakPolarHBondContact OG-CD2 2.43Å; S259-R262 PolarHBondContact O-N 3.02Å
260V88.9Confident83.6Confident26 Ų2637.9 Ų37.916%0.15819%0.189CC..THydrogen-bonded Turntrans-56.7-30-177.4-175.90000111.7I214 L223 D244 F246 R262I214-V260 HydrophobicContact CD1-CG2 3.66Å; L223-V260 HydrophobicContact CD1-CG1 3.63Å; D244-V260 PolarHBondContact O-N 3.43Å; F246-V260 HydrophobicContact CE1-CG2 4.46Å; V260-R262 VanDerWaalsContact C-N 3.29Å; V260-R262 PolarHBondContact O-N 3.25Å
261F88.1Confident82.6Confident153 Ų15342.8 Ų42.867%0.67121%0.212SC*.THydrogen-bonded Turntrans-76.7-2.5-179.1-48.2-62.4000115D244 S259D244-F261 HydrophobicContact CB-CE2 3.76Å; D244-F261 HydrophobicContact CB-CZ 4.12Å; S259-F261 PolarHBondContact O-N 3.26Å; S259-F261 VanDerWaalsContact O-N 3.09Å; S259-F261 WeakPolarHBondContact OG-CD2 2.43Å
262R88.2Confident81.5Confident85 Ų8541.4 Ų41.432%0.32120%0.202SC..  trans-134.8132.6-177-67.4-175.862.9-145.5-14113.2F225 S259 V260 S264 P265 F316F225-R262 WeakPolarHBondContact CD1-O 3.41Å; F225-R262 WeakPolarHBondContact CE1-O 3.35Å; S259-R262 PolarHBondContact O-N 3.02Å; V260-R262 VanDerWaalsContact C-N 3.29Å; V260-R262 PolarHBondContact O-N 3.25Å; R262-S264 VanDerWaalsContact C-N 3.27Å; R262-S264 WeakPolarHBondContact CB-O 2.43Å; R262-S264 PolarHBondContact NH2-OG 2.85Å; R262-S264 PolarHBondContact O-N 2.91Å; R262-P265 PolarHBondContact NH2-O 2.91Å; R262-F316 HydrophobicContact CG-CZ 4.46Å
263K90.2Very high80.2Confident127 Ų12741.3 Ų41.355%0.55220%0.2SC*.SBendtrans-80.90.9174.1-65.9-57.4-169.9-175.10114.9V224 F225V224-K263 PolarHBondContact O-NZ 3.38Å; F225-K263 HydrophobicContact CD1-CD 4.33Å; F225-K263 HydrophobicContact CE1-CD 4.42Å
264S89Confident79Confident42 Ų4243.6 Ų43.629%0.29422%0.219SC..SBendtrans-124151.216953.40000109.3R262R262-S264 VanDerWaalsContact C-N 3.27Å; R262-S264 WeakPolarHBondContact CB-O 2.43Å; R262-S264 PolarHBondContact NH2-OG 2.85Å; R262-S264 PolarHBondContact O-N 2.91Å
265P85.9Confident77.5Confident13 Ų1348 Ų488%0.08424%0.243CC..  trans-60.4151.4-17723.2-31.6000111.7F230 L257 W258 R262 V268F230-P265 HydrophobicContact CB-CG 3.94Å; F230-P265 HydrophobicContact CD1-CG 3.78Å; F230-P265 VanDerWaalsContact CD2-CD 3.48Å; F230-P265 HydrophobicContact CD2-CG 4.01Å; F230-P265 HydrophobicContact CE1-CG 4.28Å; F230-P265 HydrophobicContact CE2-CG 4.47Å; F230-P265 HydrophobicContact CG-CG 3.63Å; L257-P265 CarbonylContact O-C 3.59Å; L257-P265 WeakPolarHBondContact O-CA 2.44Å; L257-P265 WeakPolarHBondContact O-CB 3.09Å; W258-P265 HydrophobicContact CD2-CB 4.01Å; W258-P265 HydrophobicContact CE3-CB 4.28Å; W258-P265 HydrophobicContact CH2-CB 4.34Å; W258-P265 HydrophobicContact CH2-CG 4.3Å; W258-P265 HydrophobicContact CZ2-CB 4.04Å; W258-P265 HydrophobicContact CZ2-CG 4.23Å; W258-P265 HydrophobicContact CZ3-CB 4.45Å; R262-P265 PolarHBondContact NH2-O 2.91Å; P265-V268 HydrophobicContact CB-CG2 3.8Å; P265-V268 HydrophobicContact CG-CG2 3.41Å; P265-V268 VanDerWaalsContact CG-CG2 3.41Å
266A81Confident75.9Confident22 Ų2249.9 Ų49.918%0.18225%0.254CS..SBendtrans-67.5-42.9170.300000111.2L257 F316L257-A266 HydrophobicContact CG-CB 4.18Å; L257-A266 WeakPolarHBondContact O-CA 2.38Å; L257-A266 WeakPolarHBondContact O-CB 3.41Å; L257-A266 PolarHBondContact O-N 3.17Å; A266-F316 HydrophobicContact CB-CB 3.91Å; A266-F316 HydrophobicContact CB-CD1 3.28Å; A266-F316 HydrophobicContact CB-CD2 4.16Å; A266-F316 HydrophobicContact CB-CE1 3.87Å; A266-F316 HydrophobicContact CB-CG 3.47Å; A266-F316 VanDerWaalsContact CB-CG 3.47Å
267F78.8Confident74.1Confident95 Ų9556.7 Ų56.742%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-154.6151.5-179.4170.1-101.5000110L257L257-F267 HydrophobicContact CB-CB 4.28Å; L257-F267 HydrophobicContact CD2-CB 4.27Å; L257-F267 PolarHBondContact N-O 3.36Å; L257-F267 PolarHBondContact O-N 3.13Å
268V81.8Confident72.4Confident40 Ų4063.8 Ų63.824%0.24233%0.329CS..EExtended strand (participates in β ladder)trans-136.5138.7177.6-174.30000109F230 C254 L255 P265 E270F230-V268 HydrophobicContact CB-CG2 4.3Å; F230-V268 WeakPolarHBondContact O-CG1 3.24Å; C254-V268 WeakPolarHBondContact SG-CG1 2.42Å; L255-V268 CarbonylContact O-C 3.57Å; L255-V268 WeakPolarHBondContact O-CA 3.26Å; P265-V268 HydrophobicContact CB-CG2 3.8Å; P265-V268 HydrophobicContact CG-CG2 3.41Å; P265-V268 VanDerWaalsContact CG-CG2 3.41Å; V268-E270 HydrophobicContact CG1-CG 4.13Å
269S77.9Confident70.7Confident9 Ų971.9 Ų71.96%0.06336%0.359CS..EExtended strand (participates in β ladder)trans-127.684.3176163.60000108C254 L255 H271 A272 R321C254-S269 WeakPolarHBondContact CA-O 3.17Å; L255-S269 PolarHBondContact N-O 2.82Å; L255-S269 PolarHBondContact O-N 2.63Å; S269-H271 VanDerWaalsContact C-N 3.26Å; S269-H271 PolarHBondContact O-N 3.43Å; S269-A272 PolarHBondContact O-N 3.16Å; S269-A272 WeakPolarHBondContact OG-CA 3.42Å; S269-R321 PolarHBondContact OG-NH2 2.93Å; S269-R321 VanDerWaalsContact OG-NH2 3.13Å
270E70.5Confident69Low127 Ų12775.2 Ų75.259%0.59337%0.374SS*.SBendtrans-52.5-41.4-174.8-66.5165.7175.400112.6G253 C254 V268G253-E270 CarbonylContact C-O 3.48Å; C254-E270 VanDerWaalsContact CA-O 3.29Å; C254-E270 WeakPolarHBondContact CA-O 3.5Å; C254-E270 PolarHBondContact N-O 2.73Å; V268-E270 HydrophobicContact CG1-CG 4.13Å
271H66.2Low67.6Low102 Ų10274.4 Ų74.447%0.47237%0.372SS..  trans-11283170.8-51.5-49.7000109.8S269 H273 E280S269-H271 VanDerWaalsContact C-N 3.26Å; S269-H271 PolarHBondContact O-N 3.43Å; H271-H273 PolarHBondContact O-N 3.03Å; H271-E280 IonicContact CE1-OE1 2.82Å; H271-E280 PolarHBondContact CE1-OE1 2.92Å; H271-E280 IonicContact ND1-OE1 3.95Å
272A59Low66.7Low2 Ų269.8 Ų69.82%0.01735%0.35CS..SBendtrans-67.4-24.1177.200000113.2G253 L255 S269 I283 F297 R321G253-A272 WeakPolarHBondContact O-CB 2.27Å; G253-A272 PolarHBondContact O-N 2.92Å; L255-A272 HydrophobicContact CB-CB 3.85Å; S269-A272 PolarHBondContact O-N 3.16Å; S269-A272 WeakPolarHBondContact OG-CA 3.42Å; A272-I283 HydrophobicContact CB-CD1 4.45Å; A272-F297 VanDerWaalsContact C-CE1 3.41Å; A272-F297 HydrophobicContact CB-CE1 3.78Å; A272-F297 WeakPolarHBondContact O-CE1 3.42Å; A272-R321 VanDerWaalsContact O-CZ 3.22Å; A272-R321 PolarHBondContact O-NH1 2.88Å; A272-R321 VanDerWaalsContact O-NH1 3.13Å; A272-R321 PolarHBondContact O-NH2 2.81Å; A272-R321 VanDerWaalsContact O-NH2 3.17Å
273H53.3Low65.7Low10 Ų1065.8 Ų65.85%0.04634%0.335CS..SBendtrans-97.7-130.1-176.4-71.9-68.7000112.5H271 G281 I283 F297 N304H271-H273 PolarHBondContact O-N 3.03Å; H273-G281 PolarHBondContact CD2-O 2.89Å; H273-I283 WeakPolarHBondContact NE2-CG1 2.29Å; H273-F297 HydrophobicContact CB-CD1 3.59Å; H273-F297 HydrophobicContact CB-CE1 3.45Å; H273-F297 VanDerWaalsContact CB-CE1 3.45Å; H273-F297 AromaticContact CD2-CD1 2.29Å; H273-F297 WeakPolarHBondContact CD2-CD1 3.45Å; H273-F297 AromaticContact CD2-CE1 2.29Å; H273-F297 WeakPolarHBondContact CD2-CE1 3.44Å; H273-F297 AromaticContact CD2-CG 3.84Å; H273-F297 AromaticContact CD2-CZ 3.84Å; H273-F297 AromaticContact CE1-CD1 2.09Å; H273-F297 WeakPolarHBondContact CE1-CD1 2.27Å; H273-F297 AromaticContact CE1-CD2 2.44Å; H273-F297 WeakPolarHBondContact CE1-CD2 3.38Å; H273-F297 AromaticContact CE1-CE1 2.08Å; H273-F297 WeakPolarHBondContact CE1-CE1 2.38Å; H273-F297 AromaticContact CE1-CE2 2.43Å; H273-F297 WeakPolarHBondContact CE1-CE2 3.33Å; H273-F297 AromaticContact CE1-CG 2.38Å; H273-F297 WeakPolarHBondContact CE1-CG 3.25Å; H273-F297 AromaticContact CE1-CZ 2.38Å; H273-F297 WeakPolarHBondContact CE1-CZ 2.08Å; H273-F297 AromaticContact CG-CD1 2.26Å; H273-F297 AromaticContact CG-CE1 2.26Å; H273-F297 AromaticContact CG-CG 3.46Å; H273-F297 VanDerWaalsContact CG-CG 3.46Å; H273-F297 AromaticContact CG-CZ 3.46Å; H273-F297 VanDerWaalsContact CG-CZ 3.46Å; H273-F297 AromaticContact ND1-CD1 2.09Å; H273-F297 WeakPolarHBondContact ND1-CD1 3.36Å; H273-F297 AromaticContact ND1-CD2 2.42Å; H273-F297 WeakPolarHBondContact ND1-CD2 3.25Å; H273-F297 AromaticContact ND1-CE1 2.09Å; H273-F297 WeakPolarHBondContact ND1-CE1 3.21Å; H273-F297 AromaticContact ND1-CE2 2.43Å; H273-F297 WeakPolarHBondContact ND1-CE2 3.39Å; H273-F297 AromaticContact ND1-CG 2.38Å; H273-F297 WeakPolarHBondContact ND1-CG 3.22Å; H273-F297 AromaticContact ND1-CZ 2.39Å; H273-F297 WeakPolarHBondContact ND1-CZ 3.48Å; H273-F297 AromaticContact NE2-CD1 2.27Å; H273-F297 WeakPolarHBondContact NE2-CD1 2.09Å; H273-F297 AromaticContact NE2-CD2 3.99Å; H273-F297 AromaticContact NE2-CE1 2.27Å; H273-F297 WeakPolarHBondContact NE2-CE1 3.44Å; H273-F297 AromaticContact NE2-CE2 3.99Å; H273-F297 AromaticContact NE2-CG 3.41Å; H273-F297 WeakPolarHBondContact NE2-CG 3.12Å; H273-F297 AromaticContact NE2-CZ 3.42Å; H273-F297 WeakPolarHBondContact NE2-CZ 3.21Å; H273-N304 PolarHBondContact O-ND2 2.91Å
274A51Low64.6Low51 Ų5159.9 Ų59.942%0.42131%0.309SS..  trans-150.5156.8153.200000105.2V276 N304A274-V276 PolarHBondContact O-N 3.47Å; A274-N304 WeakPolarHBondContact CB-ND2 3.12Å; A274-N304 PolarHBondContact N-ND2 3.22Å
275D49.5Very low63.5Low96 Ų9658 Ų5851%0.51330%0.296SS..  trans-54127.7175.6-81.1-62.4000111.8R279 E280D275-R279 PolarHBondContact OD1-N 2.69Å; D275-E280 PolarHBondContact OD1-N 3.39Å
276V48.7Very low62.8Low42 Ų4257.4 Ų57.426%0.25529%0.292SS..SBendtrans-100106.3165.3-178.90000105.7A274 N278 R279 V300A274-V276 PolarHBondContact O-N 3.47Å; V276-N278 PolarHBondContact O-N 3.4Å; V276-R279 PolarHBondContact N-O 3.48Å; V276-R279 WeakPolarHBondContact O-CB 2.99Å; V276-R279 PolarHBondContact O-N 3.46Å; V276-R279 VanDerWaalsContact O-N 3.13Å; V276-V300 HydrophobicContact CG1-CB 3.9Å; V276-V300 HydrophobicContact CG1-CG2 3.65Å; V276-V300 HydrophobicContact CG2-CB 4.05Å
277D47.6Very low62.1Low144 Ų14456.8 Ų56.877%0.7729%0.286SS*.SBendtrans55.846.7-179.6-49.6-35.1000113.7R279D277-R279 VanDerWaalsContact C-N 3.32Å; D277-R279 PolarHBondContact O-N 2.84Å
278N49.2Very low61.4Low151 Ų15153.8 Ų53.881%0.80728%0.277SS*.SBendtrans55.241.8-173.7-64.84000113.2V276V276-N278 PolarHBondContact O-N 3.4Å
279R52Low60.3Low169 Ų16952.2 Ų52.264%0.63827%0.267SS*.SBendtrans-135.1133.1172.1-57.2179.5-175.3-172.40.1110.1D275 V276 D277 G281D275-R279 PolarHBondContact OD1-N 2.69Å; V276-R279 PolarHBondContact N-O 3.48Å; V276-R279 WeakPolarHBondContact O-CB 2.99Å; V276-R279 PolarHBondContact O-N 3.46Å; V276-R279 VanDerWaalsContact O-N 3.13Å; D277-R279 VanDerWaalsContact C-N 3.32Å; D277-R279 PolarHBondContact O-N 2.84Å; R279-G281 PolarHBondContact O-N 3.39Å
280E52.5Low59.1Low73 Ų7355.9 Ų55.934%0.34128%0.284SS..PPolyproline II helixtrans-59.1132.8175.6-62.5-179.4137.800111.1S252 H271 D275 W282S252-E280 WeakPolarHBondContact CB-OE2 3.46Å; S252-E280 WeakPolarHBondContact O-CB 3.33Å; H271-E280 IonicContact CE1-OE1 2.82Å; H271-E280 PolarHBondContact CE1-OE1 2.92Å; H271-E280 IonicContact ND1-OE1 3.95Å; D275-E280 PolarHBondContact OD1-N 3.39Å; E280-W282 VanDerWaalsContact O-CD1 3.31Å
281G59.1Low57.8Low10 Ų1052.5 Ų52.510%0.10327%0.269CS..PPolyproline II helixtrans-79.6136.2177.100000111.6G253 H273 R279G253-G281 WeakPolarHBondContact CA-O 3.46Å; G253-G281 PolarHBondContact N-O 3.29Å; H273-G281 PolarHBondContact CD2-O 2.89Å; R279-G281 PolarHBondContact O-N 3.39Å
282W68.5Low56.7Low56 Ų5648.4 Ų48.421%0.21225%0.25CC..PPolyproline II helixtrans-87.6134.1-172.3-53.710.2000110.7E280 S284 F297 G298 W358 W359E280-W282 VanDerWaalsContact O-CD1 3.31Å; W282-S284 PolarHBondContact O-N 2.87Å; W282-S284 VanDerWaalsContact O-N 3.09Å; W282-F297 WeakPolarHBondContact O-CA 2.09Å; W282-G298 PolarHBondContact O-N 3.11Å; W282-G298 VanDerWaalsContact O-N 3.13Å; W282-W358 HydrophobicContact CH2-CE3 4.29Å; W282-W358 AromaticContact CZ3-CE3 3.9Å; W282-W358 HydrophobicContact CZ3-CE3 3.9Å; W282-W358 HydrophobicContact CZ3-CZ3 4.2Å; W282-W359 AromaticContact CE2-NE1 3.87Å; W282-W359 AromaticContact CH2-CE2 3.72Å; W282-W359 AromaticContact CH2-CZ2 3.81Å; W282-W359 HydrophobicContact CH2-CZ2 3.81Å; W282-W359 AromaticContact CH2-NE1 3.03Å; W282-W359 AromaticContact CZ2-CE2 3.6Å; W282-W359 AromaticContact CZ2-CZ2 3.47Å; W282-W359 HydrophobicContact CZ2-CZ2 3.47Å; W282-W359 VanDerWaalsContact CZ2-CZ2 3.47Å; W282-W359 AromaticContact CZ2-NE1 3.22Å; W282-W359 AromaticContact CZ3-NE1 3.53Å
283I67.2Low55.7Low1 Ų148.5 Ų48.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-79.387.7170.3-58.9158.9000108T237 S250 C254 L255 A272 H273 L286T237-I283 HydrophobicContact CG2-CG2 4Å; T237-I283 WeakPolarHBondContact CG2-O 3.36Å; S250-I283 PolarHBondContact O-N 3.27Å; C254-I283 WeakPolarHBondContact O-CD1 3.36Å; L255-I283 HydrophobicContact CB-CD1 3.89Å; A272-I283 HydrophobicContact CB-CD1 4.45Å; H273-I283 WeakPolarHBondContact NE2-CG1 2.29Å; I283-L286 HydrophobicContact CG2-CD2 3.69Å; I283-L286 HydrophobicContact CG2-CG 4.21Å
284S67.2Low55.3Low2 Ų248.4 Ų48.41%0.01425%0.251CS..EExtended strand (participates in β ladder)trans-83.5-17.4-176.748.10000113.8W282 D296 F297 G298 V334 K354W282-S284 PolarHBondContact O-N 2.87Å; W282-S284 VanDerWaalsContact O-N 3.09Å; S284-D296 PolarHBondContact N-O 3.04Å; S284-F297 VanDerWaalsContact OG-C 3.27Å; S284-F297 PolarHBondContact OG-O 3.18Å; S284-G298 PolarHBondContact OG-N 2.94Å; S284-V334 WeakPolarHBondContact CB-O 2.39Å; S284-V334 PolarHBondContact OG-O 2.97Å; S284-K354 PolarHBondContact O-NZ 2.78Å
285S66.5Low54.9Low2 Ų246.7 Ų46.71%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-153.4151.7174.255.40000114.2V334S285-V334 WeakPolarHBondContact CB-O 3.39Å; S285-V334 PolarHBondContact OG-O 3.45Å
286L70.4Confident54.7Low2 Ų242.4 Ų42.41%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-129148174-64.3-178.9000110.1T237 R239 V247 I283 F295T237-L286 HydrophobicContact CG2-CD1 3.91Å; T237-L286 HydrophobicContact CG2-CG 3.63Å; R239-L286 HydrophobicContact CB-CB 4.29Å; R239-L286 HydrophobicContact CG-CB 3.45Å; R239-L286 VanDerWaalsContact CG-CB 3.45Å; R239-L286 HydrophobicContact CG-CD1 4.41Å; R239-L286 PolarHBondContact NE-O 2.88Å; V247-L286 HydrophobicContact CG2-CD1 4.28Å; I283-L286 HydrophobicContact CG2-CD2 3.69Å; I283-L286 HydrophobicContact CG2-CG 4.21Å; L286-F295 HydrophobicContact CD2-CD1 3.15Å; L286-F295 HydrophobicContact CD2-CE1 3.37Å; L286-F295 HydrophobicContact CD2-CG 4.28Å
287C67.8Low54.3Low8 Ų840.8 Ų40.85%0.05420%0.2CC..EExtended strand (participates in β ladder)trans-143.9137.9165.6176.10000109.4L294 L337 S339C287-L294 PolarHBondContact N-O 2.91Å; C287-L294 PolarHBondContact O-N 2.86Å; C287-L337 HydrophobicContact CB-CB 3.45Å; C287-L337 VanDerWaalsContact CB-CB 3.45Å; C287-S339 PolarHBondContact SG-N 3.12Å; C287-S339 VanDerWaalsContact SG-N 3.39Å
288S63.8Low53.9Low33 Ų3333.9 Ų33.923%0.23116%0.163CC..EExtended strand (participates in β ladder)trans-91.9144.8166.946.40000110.8L240 M292L240-S288 WeakPolarHBondContact O-CB 3.4Å; L240-S288 PolarHBondContact O-OG 3.42Å; S288-M292 CarbonylContact C-O 3.58Å; S288-M292 WeakPolarHBondContact CA-O 2.09Å; S288-M292 WeakPolarHBondContact CB-O 2.29Å
289V58Low53.6Low6 Ų629.2 Ų29.24%0.03614%0.138CC..EExtended strand (participates in β ladder)trans-141102.7-173.9-175.60000108.2M291 M292 L294 L373V289-M291 VanDerWaalsContact C-N 3.33Å; V289-M291 PolarHBondContact O-N 2.86Å; V289-M292 PolarHBondContact N-O 2.9Å; V289-M292 WeakPolarHBondContact O-CB 3.46Å; V289-M292 PolarHBondContact O-N 2.86Å; V289-L294 HydrophobicContact CB-CD1 4.33Å; V289-L294 HydrophobicContact CG2-CD1 3.46Å; V289-L294 VanDerWaalsContact CG2-CD1 3.46Å; V289-L294 HydrophobicContact CG2-CG 3.85Å; V289-L373 HydrophobicContact CG1-CD1 4.13Å
290Q52.6Low52.8Low86 Ų8624.7 Ų24.740%0.40213%0.13SC..THydrogen-bonded Turntrans44.454.6-177.5-63.8-173.3-4.700113.1I38 M292 N341I38-Q290 HydrophobicContact CD1-CB 4.21Å; Q290-M292 PolarHBondContact O-N 2.84Å; Q290-N341 PolarHBondContact NE2-O 2.66Å
291M44.2Very low51.9Low57 Ų5722 Ų2228%0.28112%0.118SC..THydrogen-bonded Turntrans63.512.2-175.9-45.9-163.8-166.300116.7P33 M35 I241 V289P33-M291 WeakPolarHBondContact O-CE 3.37Å; M35-M291 HydrophobicContact CB-CE 4.41Å; M35-M291 HydrophobicContact CB-SD 3.74Å; M35-M291 HydrophobicContact CE-SD 3.73Å; M35-M291 HydrophobicContact CG-SD 3.68Å; I241-M291 HydrophobicContact CG2-CB 4.09Å; I241-M291 WeakPolarHBondContact CG2-O 3.24Å; I241-M291 WeakPolarHBondContact O-CG 3.39Å; V289-M291 VanDerWaalsContact C-N 3.33Å; V289-M291 PolarHBondContact O-N 2.86Å
292M42.8Very low50.6Low15 Ų1527.8 Ų27.87%0.07414%0.14CC..EExtended strand (participates in β ladder)trans-87.5168.3153.8-55.8-166.7-144.300110.9I38 A39 V42 S288 V289 Q290 V320 F322 F375I38-M292 HydrophobicContact CB-CE 4.41Å; I38-M292 HydrophobicContact CD1-CE 4.26Å; I38-M292 HydrophobicContact CG1-CE 3.36Å; A39-M292 HydrophobicContact CB-CE 4.38Å; A39-M292 HydrophobicContact CB-SD 4.49Å; V42-M292 HydrophobicContact CG2-CE 3.79Å; S288-M292 CarbonylContact C-O 3.58Å; S288-M292 WeakPolarHBondContact CA-O 2.09Å; S288-M292 WeakPolarHBondContact CB-O 2.29Å; V289-M292 PolarHBondContact N-O 2.9Å; V289-M292 WeakPolarHBondContact O-CB 3.46Å; V289-M292 PolarHBondContact O-N 2.86Å; Q290-M292 PolarHBondContact O-N 2.84Å; M292-V320 HydrophobicContact SD-CB 4.19Å; M292-V320 HydrophobicContact SD-CG2 3.83Å; M292-F322 HydrophobicContact SD-CE2 4.27Å; M292-F322 HydrophobicContact SD-CZ 4.43Å; M292-F375 HydrophobicContact CE-CE1 4.2Å
293A37.2Very low48.9Very low4 Ų426 Ų263%0.03314%0.135CC..EExtended strand (participates in β ladder)trans-125.1141.8162.600000110.6I241 V247 F295I241-A293 HydrophobicContact CD1-CB 3.83Å; I241-A293 HydrophobicContact CG1-CB 4.15Å; V247-A293 HydrophobicContact CG1-CB 4.37Å; V247-A293 HydrophobicContact CG2-CB 3.69Å; A293-F295 HydrophobicContact CB-CE1 4.21Å; A293-F295 HydrophobicContact CB-CE2 3.88Å; A293-F295 HydrophobicContact CB-CZ 3.42Å; A293-F295 VanDerWaalsContact CB-CZ 3.42Å; A293-F295 WeakPolarHBondContact O-CE2 3.07Å
294L45Very low47.1Very low9 Ų928 Ų285%0.04715%0.146CC..EExtended strand (participates in β ladder)trans-118.3146.8-179.1-56.9-172.1000110.3C287 V289 F322 L345C287-L294 PolarHBondContact N-O 2.91Å; C287-L294 PolarHBondContact O-N 2.86Å; V289-L294 HydrophobicContact CB-CD1 4.33Å; V289-L294 HydrophobicContact CG2-CD1 3.46Å; V289-L294 VanDerWaalsContact CG2-CD1 3.46Å; V289-L294 HydrophobicContact CG2-CG 3.85Å; L294-F322 HydrophobicContact CD2-CD2 3.23Å; L294-F322 HydrophobicContact CD2-CE2 3.39Å; L294-F322 HydrophobicContact CD2-CG 4.17Å; L294-F322 HydrophobicContact CD2-CZ 4.44Å; L294-L345 HydrophobicContact CD1-CD1 3.85Å; L294-L345 HydrophobicContact CD1-CD2 3.64Å; L294-L345 HydrophobicContact CD1-CG 4.29Å
295F43.5Very low45.5Very low14 Ų1434.5 Ų34.56%0.06117%0.173CC..EExtended strand (participates in β ladder)trans-138.6125.4-164-53.2-81.1000109.8V247 L255 L286 A293 F297 W307 V319V247-F295 HydrophobicContact CB-CE1 4.41Å; V247-F295 HydrophobicContact CG1-CZ 4.3Å; V247-F295 HydrophobicContact CG2-CE1 4.33Å; V247-F295 HydrophobicContact CG2-CZ 4.44Å; L255-F295 HydrophobicContact CD1-CD1 3.83Å; L255-F295 HydrophobicContact CD1-CE1 3.19Å; L255-F295 HydrophobicContact CD1-CZ 3.8Å; L255-F295 HydrophobicContact CD2-CD1 3.76Å; L255-F295 HydrophobicContact CD2-CD2 4.15Å; L255-F295 HydrophobicContact CD2-CE1 3.48Å; L255-F295 VanDerWaalsContact CD2-CE1 3.48Å; L255-F295 HydrophobicContact CD2-CE2 3.82Å; L255-F295 HydrophobicContact CD2-CG 4.13Å; L255-F295 HydrophobicContact CD2-CZ 3.48Å; L255-F295 VanDerWaalsContact CD2-CZ 3.48Å; L255-F295 HydrophobicContact CG-CD1 4.38Å; L255-F295 HydrophobicContact CG-CE1 3.96Å; L255-F295 HydrophobicContact CG-CZ 4.28Å; L286-F295 HydrophobicContact CD2-CD1 3.15Å; L286-F295 HydrophobicContact CD2-CE1 3.37Å; L286-F295 HydrophobicContact CD2-CG 4.28Å; A293-F295 HydrophobicContact CB-CE1 4.21Å; A293-F295 HydrophobicContact CB-CE2 3.88Å; A293-F295 HydrophobicContact CB-CZ 3.42Å; A293-F295 VanDerWaalsContact CB-CZ 3.42Å; A293-F295 WeakPolarHBondContact O-CE2 3.07Å; F295-F297 HydrophobicContact CB-CZ 4.22Å; F295-F297 WeakPolarHBondContact O-CE2 3.39Å; F295-W307 HydrophobicContact CE2-CZ2 4.47Å; F295-V319 HydrophobicContact CE2-CG1 4.38Å
296D45.6Very low43.6Very low7 Ų741.2 Ų41.24%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-142.7169.7175.5-149.4-12000112.9S284 V334 L337S284-D296 PolarHBondContact N-O 3.04Å; D296-V334 HydrophobicContact CB-CB 3.96Å; D296-V334 HydrophobicContact CB-CG1 3.9Å; D296-V334 HydrophobicContact CB-CG2 4.33Å; D296-V334 WeakPolarHBondContact OD2-CG2 3.15Å; D296-L337 HydrophobicContact CB-CD1 3.92Å
297F40.7Very low42Very low7 Ų744.8 Ų44.83%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-121.6158.5-146.1-68.7-82.4000115.7A272 H273 W282 S284 F295 I303 V334A272-F297 VanDerWaalsContact C-CE1 3.41Å; A272-F297 HydrophobicContact CB-CE1 3.78Å; A272-F297 WeakPolarHBondContact O-CE1 3.42Å; H273-F297 HydrophobicContact CB-CD1 3.59Å; H273-F297 HydrophobicContact CB-CE1 3.45Å; H273-F297 VanDerWaalsContact CB-CE1 3.45Å; H273-F297 AromaticContact CD2-CD1 2.29Å; H273-F297 WeakPolarHBondContact CD2-CD1 3.45Å; H273-F297 AromaticContact CD2-CE1 2.29Å; H273-F297 WeakPolarHBondContact CD2-CE1 3.44Å; H273-F297 AromaticContact CD2-CG 3.84Å; H273-F297 AromaticContact CD2-CZ 3.84Å; H273-F297 AromaticContact CE1-CD1 2.09Å; H273-F297 WeakPolarHBondContact CE1-CD1 2.27Å; H273-F297 AromaticContact CE1-CD2 2.44Å; H273-F297 WeakPolarHBondContact CE1-CD2 3.38Å; H273-F297 AromaticContact CE1-CE1 2.08Å; H273-F297 WeakPolarHBondContact CE1-CE1 2.38Å; H273-F297 AromaticContact CE1-CE2 2.43Å; H273-F297 WeakPolarHBondContact CE1-CE2 3.33Å; H273-F297 AromaticContact CE1-CG 2.38Å; H273-F297 WeakPolarHBondContact CE1-CG 3.25Å; H273-F297 AromaticContact CE1-CZ 2.38Å; H273-F297 WeakPolarHBondContact CE1-CZ 2.08Å; H273-F297 AromaticContact CG-CD1 2.26Å; H273-F297 AromaticContact CG-CE1 2.26Å; H273-F297 AromaticContact CG-CG 3.46Å; H273-F297 VanDerWaalsContact CG-CG 3.46Å; H273-F297 AromaticContact CG-CZ 3.46Å; H273-F297 VanDerWaalsContact CG-CZ 3.46Å; H273-F297 AromaticContact ND1-CD1 2.09Å; H273-F297 WeakPolarHBondContact ND1-CD1 3.36Å; H273-F297 AromaticContact ND1-CD2 2.42Å; H273-F297 WeakPolarHBondContact ND1-CD2 3.25Å; H273-F297 AromaticContact ND1-CE1 2.09Å; H273-F297 WeakPolarHBondContact ND1-CE1 3.21Å; H273-F297 AromaticContact ND1-CE2 2.43Å; H273-F297 WeakPolarHBondContact ND1-CE2 3.39Å; H273-F297 AromaticContact ND1-CG 2.38Å; H273-F297 WeakPolarHBondContact ND1-CG 3.22Å; H273-F297 AromaticContact ND1-CZ 2.39Å; H273-F297 WeakPolarHBondContact ND1-CZ 3.48Å; H273-F297 AromaticContact NE2-CD1 2.27Å; H273-F297 WeakPolarHBondContact NE2-CD1 2.09Å; H273-F297 AromaticContact NE2-CD2 3.99Å; H273-F297 AromaticContact NE2-CE1 2.27Å; H273-F297 WeakPolarHBondContact NE2-CE1 3.44Å; H273-F297 AromaticContact NE2-CE2 3.99Å; H273-F297 AromaticContact NE2-CG 3.41Å; H273-F297 WeakPolarHBondContact NE2-CG 3.12Å; H273-F297 AromaticContact NE2-CZ 3.42Å; H273-F297 WeakPolarHBondContact NE2-CZ 3.21Å; W282-F297 WeakPolarHBondContact O-CA 2.09Å; S284-F297 VanDerWaalsContact OG-C 3.27Å; S284-F297 PolarHBondContact OG-O 3.18Å; F295-F297 HydrophobicContact CB-CZ 4.22Å; F295-F297 WeakPolarHBondContact O-CE2 3.39Å; F297-I303 HydrophobicContact CD2-CG1 4.1Å; F297-I303 HydrophobicContact CE2-CB 4.18Å; F297-I303 HydrophobicContact CE2-CG1 3.89Å; F297-I303 HydrophobicContact CE2-CG2 4.05Å; F297-V334 PolarHBondContact O-N 3.15Å
298G39.1Very low40Very low0 Ų053.6 Ų53.60%025%0.25CS..SBendtrans-71.2-49.6176.900000116W282 S284 G332 F333W282-G298 PolarHBondContact O-N 3.11Å; W282-G298 VanDerWaalsContact O-N 3.13Å; S284-G298 PolarHBondContact OG-N 2.94Å; G298-G332 CarbonylContact O-C 3.57Å; G298-F333 VanDerWaalsContact CA-CD1 3.41Å; G298-F333 WeakPolarHBondContact O-CA 3.3Å; G298-F333 WeakPolarHBondContact O-CD1 3.48Å; G298-F333 WeakPolarHBondContact O-CD2 3.27Å; G298-F333 VanDerWaalsContact O-CE1 3.26Å; G298-F333 WeakPolarHBondContact O-CE1 3.33Å; G298-F333 WeakPolarHBondContact O-CG 3.2Å; G298-F333 WeakPolarHBondContact O-CZ 3.24Å; G298-F333 PolarHBondContact O-N 2.81Å
299N42.2Very low38.2Very low52 Ų5259.8 Ų59.828%0.27827%0.273SS..SBendtrans-117.6-44.9-154.6-116.1-21.7000117.7
300V35.3Very low37Very low75 Ų7563.4 Ų63.446%0.45529%0.292SS..SBendtrans-144.6130.9175175.60000109.8V276 K302V276-V300 HydrophobicContact CG1-CB 3.9Å; V276-V300 HydrophobicContact CG1-CG2 3.65Å; V276-V300 HydrophobicContact CG2-CB 4.05Å; V300-K302 PolarHBondContact O-N 2.98Å; V300-K302 VanDerWaalsContact O-N 3.09Å
301T34Very low35.8Very low16 Ų1665.1 Ų65.110%0.09830%0.304CS..  trans-75.6100.1-17648.30000113.7F326 T331T301-F326 HydrophobicContact CG2-CB 4.04Å; T301-F326 HydrophobicContact CG2-CD2 3.89Å; T301-F326 HydrophobicContact CG2-CG 4.2Å; T301-T331 HydrophobicContact CG2-CG2 3.66Å; T301-T331 WeakPolarHBondContact OG1-CB 3.23Å; T301-T331 VanDerWaalsContact OG1-CG2 3.24Å; T301-T331 WeakPolarHBondContact OG1-CG2 3.43Å; T301-T331 PolarHBondContact OG1-OG1 2.56Å
302K30.4Very low35Very low131 Ų13169 Ų6957%0.5733%0.331SS*.  trans-132.9105.9145.5-68.5179-173.5164.40108.6V300 N304V300-K302 PolarHBondContact O-N 2.98Å; V300-K302 VanDerWaalsContact O-N 3.09Å; K302-N304 PolarHBondContact O-N 3.02Å; K302-N304 PolarHBondContact O-ND2 3.07Å
303I34.1Very low34.2Very low20 Ų2075.3 Ų75.310%0.10336%0.363CS..  trans-80.3106.4169.4-55.7169.1000107.2F297 F322 A323 F326F297-I303 HydrophobicContact CD2-CG1 4.1Å; F297-I303 HydrophobicContact CE2-CB 4.18Å; F297-I303 HydrophobicContact CE2-CG1 3.89Å; F297-I303 HydrophobicContact CE2-CG2 4.05Å; I303-F322 WeakPolarHBondContact CB-O 3.45Å; I303-F322 VanDerWaalsContact CD1-O 3.26Å; I303-F322 WeakPolarHBondContact CD1-O 3.46Å; I303-F322 VanDerWaalsContact CG2-O 3.23Å; I303-F322 WeakPolarHBondContact CG2-O 3.49Å; I303-A323 WeakPolarHBondContact O-CB 3.49Å; I303-F326 HydrophobicContact CD1-CD2 4.49Å; I303-F326 HydrophobicContact CD1-CE2 3.98Å
304N27.9Very low33.9Very low43 Ų4382.3 Ų82.323%0.2340%0.401CS..  trans-95.5154.6-170.5-62.6-43.5000112.4H273 A274 K302 R321H273-N304 PolarHBondContact O-ND2 2.91Å; A274-N304 WeakPolarHBondContact CB-ND2 3.12Å; A274-N304 PolarHBondContact N-ND2 3.22Å; K302-N304 PolarHBondContact O-N 3.02Å; K302-N304 PolarHBondContact O-ND2 3.07Å; N304-R321 VanDerWaalsContact O-CB 3.24Å; N304-R321 WeakPolarHBondContact O-CB 3.3Å; N304-R321 WeakPolarHBondContact O-CD 3.33Å; N304-R321 VanDerWaalsContact O-CG 3.27Å; N304-R321 WeakPolarHBondContact O-CG 3.34Å; N304-R321 PolarHBondContact O-NH1 3.45Å
305K34Very low33.2Very low137 Ų13791.5 Ų91.560%0.59643%0.434SS*.  trans-104.4131.2-170.7-72.5-169.3172.7-169.50115.6R321K305-R321 WeakPolarHBondContact CE-O 3.33Å; K305-R321 HydrophobicContact CG-CB 4.13Å
306Y27.4Very low33Very low144 Ų14494 Ų9457%0.56545%0.446SS*.  trans-145.1106.8162-60.5-34.5000108.9R321Y306-R321 VanDerWaalsContact N-CD 3.3Å
307W36Very low32.7Very low77 Ų7796 Ų9629%0.29246%0.459SS..  trans-136.9140.4174.8-71.166000108.6F295 V318 V319 V320 R321F295-W307 HydrophobicContact CE2-CZ2 4.47Å; W307-V318 HydrophobicContact CE3-CG1 3.35Å; W307-V318 HydrophobicContact CZ3-CG1 3.79Å; W307-V318 WeakPolarHBondContact CZ3-O 3.49Å; W307-V319 VanDerWaalsContact CE3-N 3.26Å; W307-V319 HydrophobicContact CH2-CB 3.6Å; W307-V319 HydrophobicContact CH2-CG1 3.54Å; W307-V319 HydrophobicContact CH2-CG2 4.46Å; W307-V319 WeakPolarHBondContact CH2-O 3.4Å; W307-V319 HydrophobicContact CZ2-CB 3.75Å; W307-V319 HydrophobicContact CZ2-CG1 3.17Å; W307-V319 WeakPolarHBondContact CZ2-O 3.44Å; W307-V319 HydrophobicContact CZ3-CB 4.11Å; W307-V319 WeakPolarHBondContact CZ3-O 3.42Å; W307-V319 PolarHBondContact NE1-O 3.34Å; W307-V320 HydrophobicContact CD2-CB 3.99Å; W307-V320 HydrophobicContact CD2-CG2 4.1Å; W307-V320 HydrophobicContact CE3-CB 3.88Å; W307-V320 HydrophobicContact CE3-CG2 3.37Å; W307-V320 HydrophobicContact CH2-CB 4.25Å; W307-V320 HydrophobicContact CZ2-CB 4.38Å; W307-V320 WeakPolarHBondContact CZ2-O 3.48Å; W307-V320 HydrophobicContact CZ3-CB 4Å; W307-V320 HydrophobicContact CZ3-CG2 3.61Å; W307-V320 VanDerWaalsContact NE1-CA 3.32Å; W307-R321 HydrophobicContact CZ2-CG 4.17Å
308K25.8Very low32.4Very low192 Ų19297.9 Ų97.984%0.83547%0.471SS*.  trans-144.1133173.5-170.6173.5-178.91780110.5
309K27.5Very low32.4Very low163 Ų16399 Ų9971%0.70948%0.478SS*.  trans-61.6139.8179.3-175.7170.8-175.4164.60112.1
310L31Very low32Very low82 Ų8297.7 Ų97.743%0.42947%0.472SS..  trans-126.5138.1165.5-158.996.2000109.3R315L310-R315 HydrophobicContact CD1-CB 4.03Å; L310-R315 VanDerWaalsContact CD2-C 3.41Å; L310-R315 HydrophobicContact CD2-CB 4.05Å; L310-R315 WeakPolarHBondContact CD2-O 3.42Å
311N28.2Very low32.1Very low123 Ų12394.7 Ų94.766%0.65845%0.452SS*.  trans-87.7166.7169.7-73.5-0.7000110.5
312V27.1Very low32.2Very low139 Ų13994.8 Ų94.884%0.84245%0.451SS*.SBendtrans-46.6146.8170.3-173.70000111.3
313L26.1Very low32.5Very low146 Ų14690.2 Ų90.276%0.76444%0.438SS*.SBendtrans92.996.4-174.9-52.6168.5000115.8R315L313-R315 PolarHBondContact O-N 3.09Å
314N30.8Very low32.9Very low152 Ų15290 Ų9081%0.81344%0.437SS*.SBendtrans737.5147.5-66.4-7.9000122.6
315R30.2Very low33.5Very low201 Ų20192.1 Ų92.176%0.75845%0.449SS*.SBendtrans-13851.5180-71.3-164.1178.6-172.31.3119.3L310 L313L310-R315 HydrophobicContact CD1-CB 4.03Å; L310-R315 VanDerWaalsContact CD2-C 3.41Å; L310-R315 HydrophobicContact CD2-CB 4.05Å; L310-R315 WeakPolarHBondContact CD2-O 3.42Å; L313-R315 PolarHBondContact O-N 3.09Å
316F39.1Very low34.1Very low68 Ų6885.7 Ų85.730%0.29842%0.421SS..  trans67.4160.6154.3-70.3-72.5000119.5R262 A266R262-F316 HydrophobicContact CG-CZ 4.46Å; A266-F316 HydrophobicContact CB-CB 3.91Å; A266-F316 HydrophobicContact CB-CD1 3.28Å; A266-F316 HydrophobicContact CB-CD2 4.16Å; A266-F316 HydrophobicContact CB-CE1 3.87Å; A266-F316 HydrophobicContact CB-CG 3.47Å; A266-F316 VanDerWaalsContact CB-CG 3.47Å
317P40.9Very low34.5Very low49 Ų4988.4 Ų88.432%0.31843%0.43SS..  trans-62.5145.4-164.6-26.432.1000117.4L257L257-P317 HydrophobicContact CD1-CG 4.42Å; L257-P317 HydrophobicContact CD2-CB 3.92Å; L257-P317 HydrophobicContact CD2-CG 4.03Å
318V34Very low34.9Very low46 Ų4692.9 Ų92.928%0.27945%0.448SS..  trans-57.5129.9158.1169.50000109.2A39 W307A39-V318 HydrophobicContact CB-CG1 4.23Å; W307-V318 HydrophobicContact CE3-CG1 3.35Å; W307-V318 HydrophobicContact CZ3-CG1 3.79Å; W307-V318 WeakPolarHBondContact CZ3-O 3.49Å
319V37.6Very low36.1Very low23 Ų2386.3 Ų86.314%0.13942%0.42CS..  trans-122.60179.1173.90000110L257 F295 W307L257-V319 HydrophobicContact CD2-CG2 3.64Å; F295-V319 HydrophobicContact CE2-CG1 4.38Å; W307-V319 VanDerWaalsContact CE3-N 3.26Å; W307-V319 HydrophobicContact CH2-CB 3.6Å; W307-V319 HydrophobicContact CH2-CG1 3.54Å; W307-V319 HydrophobicContact CH2-CG2 4.46Å; W307-V319 WeakPolarHBondContact CH2-O 3.4Å; W307-V319 HydrophobicContact CZ2-CB 3.75Å; W307-V319 HydrophobicContact CZ2-CG1 3.17Å; W307-V319 WeakPolarHBondContact CZ2-O 3.44Å; W307-V319 HydrophobicContact CZ3-CB 4.11Å; W307-V319 WeakPolarHBondContact CZ3-O 3.42Å; W307-V319 PolarHBondContact NE1-O 3.34Å
320V34.4Very low37.5Very low25 Ų2585 Ų8515%0.15241%0.414CS..  0117.20-169.10000111.8A39 M292 W307 F322A39-V320 HydrophobicContact CB-CG2 3.53Å; A39-V320 WeakPolarHBondContact O-CG2 3.34Å; M292-V320 HydrophobicContact SD-CB 4.19Å; M292-V320 HydrophobicContact SD-CG2 3.83Å; W307-V320 HydrophobicContact CD2-CB 3.99Å; W307-V320 HydrophobicContact CD2-CG2 4.1Å; W307-V320 HydrophobicContact CE3-CB 3.88Å; W307-V320 HydrophobicContact CE3-CG2 3.37Å; W307-V320 HydrophobicContact CH2-CB 4.25Å; W307-V320 HydrophobicContact CZ2-CB 4.38Å; W307-V320 WeakPolarHBondContact CZ2-O 3.48Å; W307-V320 HydrophobicContact CZ3-CB 4Å; W307-V320 HydrophobicContact CZ3-CG2 3.61Å; W307-V320 VanDerWaalsContact NE1-CA 3.32Å; V320-F322 HydrophobicContact CB-CD2 4.23Å; V320-F322 HydrophobicContact CB-CE2 3.62Å; V320-F322 HydrophobicContact CB-CZ 4.3Å; V320-F322 HydrophobicContact CG1-CD2 3.87Å; V320-F322 HydrophobicContact CG1-CE1 4.47Å; V320-F322 HydrophobicContact CG1-CE2 3.36Å; V320-F322 HydrophobicContact CG1-CZ 3.7Å; V320-F322 VanDerWaalsContact O-CD2 3.3Å; V320-F322 WeakPolarHBondContact O-CD2 3.21Å
321R37.6Very low39.1Very low11 Ų1182.1 Ų82.14%0.04240%0.4CS..  trans-103.9102.5-174.3-89.8149.9157.3-132.223.4106.4S269 A272 N304 K305 Y306 W307 A323S269-R321 PolarHBondContact OG-NH2 2.93Å; S269-R321 VanDerWaalsContact OG-NH2 3.13Å; A272-R321 VanDerWaalsContact O-CZ 3.22Å; A272-R321 PolarHBondContact O-NH1 2.88Å; A272-R321 VanDerWaalsContact O-NH1 3.13Å; A272-R321 PolarHBondContact O-NH2 2.81Å; A272-R321 VanDerWaalsContact O-NH2 3.17Å; N304-R321 VanDerWaalsContact O-CB 3.24Å; N304-R321 WeakPolarHBondContact O-CB 3.3Å; N304-R321 WeakPolarHBondContact O-CD 3.33Å; N304-R321 VanDerWaalsContact O-CG 3.27Å; N304-R321 WeakPolarHBondContact O-CG 3.34Å; N304-R321 PolarHBondContact O-NH1 3.45Å; K305-R321 WeakPolarHBondContact CE-O 3.33Å; K305-R321 HydrophobicContact CG-CB 4.13Å; Y306-R321 VanDerWaalsContact N-CD 3.3Å; W307-R321 HydrophobicContact CZ2-CG 4.17Å; R321-A323 PolarHBondContact O-N 2.69Å
322F35.8Very low41.3Very low18 Ų1876.4 Ų76.48%0.07937%0.37CS..  trans-74.490.7-174.5-76-98.5000110.2V42 L44 M292 L294 I303 V320 V324 L373V42-F322 HydrophobicContact CB-CE1 3.85Å; V42-F322 HydrophobicContact CB-CZ 3.86Å; V42-F322 HydrophobicContact CG1-CE1 3.59Å; V42-F322 HydrophobicContact CG1-CZ 3.86Å; V42-F322 HydrophobicContact CG2-CE1 4.34Å; V42-F322 HydrophobicContact CG2-CZ 3.83Å; L44-F322 HydrophobicContact CD2-CB 4.45Å; L44-F322 HydrophobicContact CD2-CD1 3.51Å; L44-F322 HydrophobicContact CD2-CE1 4.14Å; L44-F322 HydrophobicContact CD2-CG 4.35Å; M292-F322 HydrophobicContact SD-CE2 4.27Å; M292-F322 HydrophobicContact SD-CZ 4.43Å; L294-F322 HydrophobicContact CD2-CD2 3.23Å; L294-F322 HydrophobicContact CD2-CE2 3.39Å; L294-F322 HydrophobicContact CD2-CG 4.17Å; L294-F322 HydrophobicContact CD2-CZ 4.44Å; I303-F322 WeakPolarHBondContact CB-O 3.45Å; I303-F322 VanDerWaalsContact CD1-O 3.26Å; I303-F322 WeakPolarHBondContact CD1-O 3.46Å; I303-F322 VanDerWaalsContact CG2-O 3.23Å; I303-F322 WeakPolarHBondContact CG2-O 3.49Å; V320-F322 HydrophobicContact CB-CD2 4.23Å; V320-F322 HydrophobicContact CB-CE2 3.62Å; V320-F322 HydrophobicContact CB-CZ 4.3Å; V320-F322 HydrophobicContact CG1-CD2 3.87Å; V320-F322 HydrophobicContact CG1-CE1 4.47Å; V320-F322 HydrophobicContact CG1-CE2 3.36Å; V320-F322 HydrophobicContact CG1-CZ 3.7Å; V320-F322 VanDerWaalsContact O-CD2 3.3Å; V320-F322 WeakPolarHBondContact O-CD2 3.21Å; F322-V324 PolarHBondContact O-N 2.62Å; F322-L373 HydrophobicContact CD1-CD2 4.23Å; F322-L373 HydrophobicContact CE1-CD2 4.05Å
323A37Very low43.8Very low35 Ų3569.8 Ų69.829%0.28933%0.33SS..  trans-71.959.9173.900000111.6I303 R321 N325I303-A323 WeakPolarHBondContact O-CB 3.49Å; R321-A323 PolarHBondContact O-N 2.69Å; A323-N325 VanDerWaalsContact C-N 3.33Å; A323-N325 PolarHBondContact O-N 2.99Å
324V42.4Very low46.5Very low16 Ų1662.9 Ų62.910%0.09729%0.294CS..  trans-63100.9162.1177.70000105.8I50 F322 F326 I371I50-V324 HydrophobicContact CD1-CG1 3.77Å; F322-V324 PolarHBondContact O-N 2.62Å; V324-F326 VanDerWaalsContact C-N 3.27Å; V324-F326 HydrophobicContact CB-CD2 4.3Å; V324-F326 HydrophobicContact CB-CE2 4Å; V324-F326 HydrophobicContact CB-CZ 4.4Å; V324-F326 HydrophobicContact CG1-CD1 4.3Å; V324-F326 HydrophobicContact CG1-CD2 4.04Å; V324-F326 HydrophobicContact CG1-CE1 4.13Å; V324-F326 HydrophobicContact CG1-CE2 3.87Å; V324-F326 HydrophobicContact CG1-CG 4.25Å; V324-F326 HydrophobicContact CG1-CZ 3.92Å; V324-F326 WeakPolarHBondContact O-CD2 3.26Å; V324-F326 PolarHBondContact O-N 3.37Å; V324-I371 HydrophobicContact CG1-CD1 4.39Å; V324-I371 HydrophobicContact CG2-CD1 4.47Å; V324-I371 HydrophobicContact CG2-CG2 4.26Å
325N40.4Very low49.2Very low88 Ų8855.7 Ų55.747%0.47126%0.255SS..  trans-82.279.4-169.9-160.8-9.9000108.7A323 R327A323-N325 VanDerWaalsContact C-N 3.33Å; A323-N325 PolarHBondContact O-N 2.99Å; N325-R327 PolarHBondContact O-N 2.95Å; N325-R327 WeakPolarHBondContact OD1-CD 3.37Å; N325-R327 WeakPolarHBondContact OD1-CG 3.49Å
326F46.3Very low52Low2 Ų246.9 Ų46.91%0.00923%0.225CC..G310 helixtrans-61.417.1-175.9-67-90.7000115.1T301 I303 V324 Y328 F329 T331 I349 V369 I371T301-F326 HydrophobicContact CG2-CB 4.04Å; T301-F326 HydrophobicContact CG2-CD2 3.89Å; T301-F326 HydrophobicContact CG2-CG 4.2Å; I303-F326 HydrophobicContact CD1-CD2 4.49Å; I303-F326 HydrophobicContact CD1-CE2 3.98Å; V324-F326 VanDerWaalsContact C-N 3.27Å; V324-F326 HydrophobicContact CB-CD2 4.3Å; V324-F326 HydrophobicContact CB-CE2 4Å; V324-F326 HydrophobicContact CB-CZ 4.4Å; V324-F326 HydrophobicContact CG1-CD1 4.3Å; V324-F326 HydrophobicContact CG1-CD2 4.04Å; V324-F326 HydrophobicContact CG1-CE1 4.13Å; V324-F326 HydrophobicContact CG1-CE2 3.87Å; V324-F326 HydrophobicContact CG1-CG 4.25Å; V324-F326 HydrophobicContact CG1-CZ 3.92Å; V324-F326 WeakPolarHBondContact O-CD2 3.26Å; V324-F326 PolarHBondContact O-N 3.37Å; F326-Y328 PolarHBondContact O-N 2.9Å; F326-F329 HydrophobicContact CB-CD2 4.22Å; F326-F329 AromaticContact CD1-CD2 3.69Å; F326-F329 HydrophobicContact CD1-CD2 3.69Å; F326-F329 HydrophobicContact CD1-CE2 4.28Å; F326-F329 HydrophobicContact CG-CD2 4.41Å; F326-F329 PolarHBondContact O-N 3.4Å; F326-T331 HydrophobicContact CB-CG2 3.63Å; F326-T331 HydrophobicContact CG-CG2 4.43Å; F326-I349 HydrophobicContact CE1-CD1 4.42Å; F326-V369 HydrophobicContact CE1-CG1 4.24Å; F326-I371 HydrophobicContact CE1-CD1 4.36Å; F326-I371 HydrophobicContact CZ-CD1 3.91Å
327R36.9Very low54.3Low201 Ų20144.3 Ų44.376%0.75821%0.214SC*.G310 helixtrans-51.4-19168.6-82.3178.9164.8-165.1-6.3114.6N325 F329N325-R327 PolarHBondContact O-N 2.95Å; N325-R327 WeakPolarHBondContact OD1-CD 3.37Å; N325-R327 WeakPolarHBondContact OD1-CG 3.49Å; R327-F329 VanDerWaalsContact C-N 3.33Å
328Y43.1Very low56.6Low171 Ų17142.6 Ų42.667%0.67120%0.204SC*.G310 helixtrans-82.4-9174.8-61-76.5000113.9P47 F326P47-Y328 HydrophobicContact CB-CD2 3.85Å; P47-Y328 HydrophobicContact CB-CE2 4.08Å; P47-Y328 HydrophobicContact CB-CG 4.21Å; P47-Y328 HydrophobicContact CG-CD2 3.75Å; P47-Y328 HydrophobicContact CG-CE2 3.5Å; P47-Y328 VanDerWaalsContact CG-CE2 3.5Å; F326-Y328 PolarHBondContact O-N 2.9Å
329F51.7Low59Low54 Ų5441.8 Ų41.824%0.23720%0.2CC..SBendtrans-122.7153.1-177.7-53-72.6000109.5I50 V52 F326 R327 T331I50-F329 HydrophobicContact CB-CZ 4.35Å; I50-F329 HydrophobicContact CG2-CE2 4.24Å; I50-F329 HydrophobicContact CG2-CZ 4.03Å; V52-F329 HydrophobicContact CG2-CD1 3.93Å; V52-F329 HydrophobicContact CG2-CE1 3.41Å; V52-F329 VanDerWaalsContact CG2-CE1 3.41Å; V52-F329 HydrophobicContact CG2-CZ 3.99Å; F326-F329 HydrophobicContact CB-CD2 4.22Å; F326-F329 AromaticContact CD1-CD2 3.69Å; F326-F329 HydrophobicContact CD1-CD2 3.69Å; F326-F329 HydrophobicContact CD1-CE2 4.28Å; F326-F329 HydrophobicContact CG-CD2 4.41Å; F326-F329 PolarHBondContact O-N 3.4Å; R327-F329 VanDerWaalsContact C-N 3.33Å; F329-T331 HydrophobicContact CB-CG2 4.19Å
330K57.2Low60.8Low134 Ų13443 Ų4358%0.58321%0.213SC*.  trans-88113.5170.2-62.7-166.6173.5-158.30108.2E363K330-E363 WeakPolarHBondContact CB-O 3.24Å; K330-E363 HydrophobicContact CD-CB 4.37Å; K330-E363 WeakPolarHBondContact CD-O 3.4Å
331T64.5Low62.5Low23 Ų2344.1 Ų44.114%0.14122%0.218CC..  trans-103158.9-160.157.20000113.8T301 F326 F329 V361 A364T301-T331 HydrophobicContact CG2-CG2 3.66Å; T301-T331 WeakPolarHBondContact OG1-CB 3.23Å; T301-T331 VanDerWaalsContact OG1-CG2 3.24Å; T301-T331 WeakPolarHBondContact OG1-CG2 3.43Å; T301-T331 PolarHBondContact OG1-OG1 2.56Å; F326-T331 HydrophobicContact CB-CG2 3.63Å; F326-T331 HydrophobicContact CG-CG2 4.43Å; F329-T331 HydrophobicContact CB-CG2 4.19Å; T331-V361 WeakPolarHBondContact O-CG1 3.35Å; T331-A364 WeakPolarHBondContact O-CB 3.12Å
332G73.5Confident64.1Low3 Ų343.8 Ų43.83%0.03122%0.218CC..  trans-160.3-156.5-176.700000110.1G298 V334 G350G298-G332 CarbonylContact O-C 3.57Å; G332-V334 PolarHBondContact O-N 3.07Å; G332-G350 CarbonylContact C-O 3.59Å
333F79.6Confident66.2Low0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-65.3116.6-173.8-69.5-92.1000112G298 N335 I349 G350 H353 W359 V361G298-F333 VanDerWaalsContact CA-CD1 3.41Å; G298-F333 WeakPolarHBondContact O-CA 3.3Å; G298-F333 WeakPolarHBondContact O-CD1 3.48Å; G298-F333 WeakPolarHBondContact O-CD2 3.27Å; G298-F333 VanDerWaalsContact O-CE1 3.26Å; G298-F333 WeakPolarHBondContact O-CE1 3.33Å; G298-F333 WeakPolarHBondContact O-CG 3.2Å; G298-F333 WeakPolarHBondContact O-CZ 3.24Å; G298-F333 PolarHBondContact O-N 2.81Å; F333-N335 PolarHBondContact O-N 3.05Å; F333-I349 CarbonylContact O-C 3.58Å; F333-I349 WeakPolarHBondContact O-CA 3.36Å; F333-G350 PolarHBondContact N-O 2.9Å; F333-G350 PolarHBondContact O-N 2.97Å; F333-H353 HydrophobicContact CD1-CB 3.69Å; F333-H353 HydrophobicContact CE1-CB 3.97Å; F333-H353 HydrophobicContact CG-CB 4.27Å; F333-W359 AromaticContact CE1-CD1 3.88Å; F333-W359 HydrophobicContact CE2-CB 3.92Å; F333-W359 HydrophobicContact CZ-CB 3.61Å; F333-W359 AromaticContact CZ-CD1 3.49Å; F333-W359 VanDerWaalsContact CZ-CD1 3.49Å; F333-W359 AromaticContact CZ-CG 3.84Å; F333-W359 HydrophobicContact CZ-CG 3.84Å; F333-V361 HydrophobicContact CE2-CG2 4.02Å
334V83.7Confident68.5Low1 Ų145.3 Ų45.31%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-86.994.3168.2-171.30000108S284 S285 D296 F297 G332 L337 A347 I349S284-V334 WeakPolarHBondContact CB-O 2.39Å; S284-V334 PolarHBondContact OG-O 2.97Å; S285-V334 WeakPolarHBondContact CB-O 3.39Å; S285-V334 PolarHBondContact OG-O 3.45Å; D296-V334 HydrophobicContact CB-CB 3.96Å; D296-V334 HydrophobicContact CB-CG1 3.9Å; D296-V334 HydrophobicContact CB-CG2 4.33Å; D296-V334 WeakPolarHBondContact OD2-CG2 3.15Å; F297-V334 PolarHBondContact O-N 3.15Å; G332-V334 PolarHBondContact O-N 3.07Å; V334-L337 HydrophobicContact CG1-CD2 3.99Å; V334-L337 HydrophobicContact CG1-CG 4.18Å; V334-A347 HydrophobicContact CG1-CB 4.03Å; V334-I349 HydrophobicContact CG2-CD1 4.36Å; V334-I349 HydrophobicContact CG2-CG1 4.21Å
335N87.8Confident70.5Confident1 Ų145.1 Ų45.11%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-82.1-24.4-167.6-79.9-38.7000113.4V60 F333 G348 E352 H353 K354V60-N335 WeakPolarHBondContact O-CB 3.2Å; V60-N335 PolarHBondContact O-ND2 2.95Å; F333-N335 PolarHBondContact O-N 3.05Å; N335-G348 PolarHBondContact N-O 3.49Å; N335-E352 PolarHBondContact ND2-O 3.1Å; N335-H353 WeakPolarHBondContact OD1-CA 3.38Å; N335-H353 PolarHBondContact OD1-CD2 2.9Å; N335-K354 HydrophobicContact CB-CB 4Å; N335-K354 HydrophobicContact CB-CD 4.32Å; N335-K354 VanDerWaalsContact O-CD 3.29Å; N335-K354 WeakPolarHBondContact O-CD 3.17Å; N335-K354 PolarHBondContact O-NZ 3.01Å; N335-K354 PolarHBondContact OD1-N 2.95Å
336S88.7Confident72.8Confident16 Ų1641 Ų4111%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-157.1144.6-178.4174.20000109.9V63 G348V63-S336 WeakPolarHBondContact CG2-OG 3.49Å; V63-S336 PolarHBondContact N-OG 2.99Å; S336-G348 PolarHBondContact O-N 3.2Å
337L87.4Confident74.7Confident13 Ų1340.9 Ų40.97%0.06820%0.201CC..EExtended strand (participates in β ladder)trans-127.4142.5174.7-71.1165.5000107.8C287 D296 V334 L345 V346 A347C287-L337 HydrophobicContact CB-CB 3.45Å; C287-L337 VanDerWaalsContact CB-CB 3.45Å; D296-L337 HydrophobicContact CB-CD1 3.92Å; V334-L337 HydrophobicContact CG1-CD2 3.99Å; V334-L337 HydrophobicContact CG1-CG 4.18Å; L337-L345 HydrophobicContact CB-CD1 4.44Å; L337-L345 HydrophobicContact CD2-CD1 4.21Å; L337-V346 CarbonylContact C-O 3.6Å; L337-V346 WeakPolarHBondContact CA-O 3.24Å; L337-A347 HydrophobicContact CD2-CB 3.67Å
338A88.4Confident77.2Confident14 Ų1431.3 Ų31.312%0.11617%0.165CC..EExtended strand (participates in β ladder)trans-142.8146.1176.800000111.9V63 V346V63-A338 HydrophobicContact CG2-CB 4.19Å; A338-V346 PolarHBondContact N-O 3.27Å; A338-V346 PolarHBondContact O-N 3.16Å
339S85.1Confident79.2Confident29 Ų2923.5 Ų23.520%0.20314%0.135CC..  trans-144.3145.9170.3-171.10000108.2C287 L344C287-S339 PolarHBondContact SG-N 3.12Å; C287-S339 VanDerWaalsContact SG-N 3.39Å; S339-L344 WeakPolarHBondContact CA-O 3.21Å; S339-L344 VanDerWaalsContact CB-O 3.3Å; S339-L344 WeakPolarHBondContact CB-O 3.3Å; S339-L344 PolarHBondContact OG-O 3.32Å
340A75.6Confident80.9Confident49 Ų4921 Ų2141%0.40512%0.124SC..SBendtrans-117.5-43.9179.700000112.5L65 T66L65-A340 HydrophobicContact CB-CB 3.87Å; T66-A340 WeakPolarHBondContact O-CB 3.39Å
341N70.1Confident82.3Confident48 Ų4817.1 Ų17.126%0.25711%0.108SC..SBendtrans-115.1-1.4-168.960.45.7000113.8Q290 S343 L344Q290-N341 PolarHBondContact NE2-O 2.66Å; N341-S343 VanDerWaalsContact C-N 3.26Å; N341-S343 VanDerWaalsContact CG-OG 3.29Å; N341-S343 PolarHBondContact ND2-OG 2.81Å; N341-S343 PolarHBondContact O-N 3.24Å; N341-S343 PolarHBondContact OD1-N 2.93Å; N341-S343 VanDerWaalsContact OD1-N 3.12Å; N341-S343 PolarHBondContact OD1-OG 2.97Å; N341-L344 PolarHBondContact OD1-N 2.81Å; N341-L344 VanDerWaalsContact OD1-N 3.1Å
342G71.8Confident83.4Confident3 Ų317.1 Ų17.13%0.03111%0.106CC..SBendtrans84-26-175.100000115.6F375G342-F375 WeakPolarHBondContact O-CE2 3.49Å; G342-F375 WeakPolarHBondContact O-CZ 3.21Å
343S79.7Confident84.1Confident53 Ų5317 Ų1737%0.37111%0.105SC..SBendtrans-91.9-8-179.559.80000114.4N341 L373N341-S343 VanDerWaalsContact C-N 3.26Å; N341-S343 VanDerWaalsContact CG-OG 3.29Å; N341-S343 PolarHBondContact ND2-OG 2.81Å; N341-S343 PolarHBondContact O-N 3.24Å; N341-S343 PolarHBondContact OD1-N 2.93Å; N341-S343 VanDerWaalsContact OD1-N 3.12Å; N341-S343 PolarHBondContact OD1-OG 2.97Å; S343-L373 WeakPolarHBondContact CA-O 3.33Å; S343-L373 PolarHBondContact O-N 2.8Å
344L84.9Confident84.4Confident33 Ų3318.7 Ų18.717%0.17311%0.112CC..EExtended strand (participates in β ladder)trans-129.5135.8174.7-68.6170.7000111.4L65 G69 L86 S339 N341 V370 P372L65-L344 HydrophobicContact CD1-CB 4.35Å; G69-L344 WeakPolarHBondContact O-CD1 3.49Å; L86-L344 HydrophobicContact CD1-CD1 4.36Å; S339-L344 WeakPolarHBondContact CA-O 3.21Å; S339-L344 VanDerWaalsContact CB-O 3.3Å; S339-L344 WeakPolarHBondContact CB-O 3.3Å; S339-L344 PolarHBondContact OG-O 3.32Å; N341-L344 PolarHBondContact OD1-N 2.81Å; N341-L344 VanDerWaalsContact OD1-N 3.1Å; L344-V370 HydrophobicContact CD2-CG1 4.27Å; L344-P372 HydrophobicContact CD2-CB 4.35Å
345L84.2Confident84.4Confident12 Ų1221.5 Ų21.56%0.06313%0.126CC..EExtended strand (participates in β ladder)trans-120.3130.6168.7175.868000109L294 L337 I371 L373L294-L345 HydrophobicContact CD1-CD1 3.85Å; L294-L345 HydrophobicContact CD1-CD2 3.64Å; L294-L345 HydrophobicContact CD1-CG 4.29Å; L337-L345 HydrophobicContact CB-CD1 4.44Å; L337-L345 HydrophobicContact CD2-CD1 4.21Å; L345-I371 HydrophobicContact CB-CB 4.29Å; L345-I371 HydrophobicContact CD2-CD1 4.32Å; L345-I371 PolarHBondContact N-O 2.94Å; L345-I371 PolarHBondContact O-N 2.64Å; L345-L373 HydrophobicContact CB-CD1 4.16Å; L345-L373 HydrophobicContact CB-CG 4.39Å
346V87.8Confident84.1Confident0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-117134.2175.3171.20000110.2V63 L65 A72 L337 A338 V368 V369 V370V63-V346 HydrophobicContact CB-CG1 3.99Å; V63-V346 HydrophobicContact CG1-CG1 4.2Å; V63-V346 HydrophobicContact CG2-CG1 4.11Å; L65-V346 HydrophobicContact CD1-CB 4.19Å; L65-V346 HydrophobicContact CD1-CG2 3.84Å; L65-V346 HydrophobicContact CD2-CG2 3.78Å; L65-V346 HydrophobicContact CG-CB 4.24Å; L65-V346 HydrophobicContact CG-CG2 3.86Å; A72-V346 HydrophobicContact CB-CG2 4.45Å; L337-V346 CarbonylContact C-O 3.6Å; L337-V346 WeakPolarHBondContact CA-O 3.24Å; A338-V346 PolarHBondContact N-O 3.27Å; A338-V346 PolarHBondContact O-N 3.16Å; V346-V368 HydrophobicContact CG1-CG1 3.37Å; V346-V369 CarbonylContact C-O 3.5Å; V346-V369 WeakPolarHBondContact CA-O 3.09Å; V346-V370 HydrophobicContact CG2-CB 4.43Å; V346-V370 HydrophobicContact CG2-CG1 4.04Å; V346-V370 HydrophobicContact CG2-CG2 4.26Å
347A86.6Confident83.9Confident0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-120.4125.6-17900000111.5V334 L337 I349 V368 V369V334-A347 HydrophobicContact CG1-CB 4.03Å; L337-A347 HydrophobicContact CD2-CB 3.67Å; A347-I349 HydrophobicContact CB-CG1 4.49Å; A347-V368 WeakPolarHBondContact O-CA 3.35Å; A347-V369 HydrophobicContact CB-CB 4.45Å; A347-V369 PolarHBondContact N-O 3.37Å; A347-V369 PolarHBondContact O-N 3.32Å
348G88.9Confident83.6Confident0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-89105.2173.400000111.4N335 S336N335-G348 PolarHBondContact N-O 3.49Å; S336-G348 PolarHBondContact O-N 3.2Å
349I86.9Confident83.2Confident8 Ų839.6 Ų39.64%0.04119%0.192CC..EExtended strand (participates in β ladder)trans-102.4135-175.8-49.4-167.2000111.2F326 F333 V334 A347 N366 S367 V369F326-I349 HydrophobicContact CE1-CD1 4.42Å; F333-I349 CarbonylContact O-C 3.58Å; F333-I349 WeakPolarHBondContact O-CA 3.36Å; V334-I349 HydrophobicContact CG2-CD1 4.36Å; V334-I349 HydrophobicContact CG2-CG1 4.21Å; A347-I349 HydrophobicContact CB-CG1 4.49Å; I349-N366 WeakPolarHBondContact O-CA 3.4Å; I349-S367 WeakPolarHBondContact CA-O 3.14Å; I349-S367 WeakPolarHBondContact CB-O 3.46Å; I349-S367 PolarHBondContact N-O 2.91Å; I349-S367 PolarHBondContact O-N 2.76Å; I349-V369 HydrophobicContact CD1-CB 4.35Å; I349-V369 HydrophobicContact CD1-CG2 3.49Å; I349-V369 VanDerWaalsContact CD1-CG2 3.49Å; I349-V369 HydrophobicContact CG1-CG2 4.08Å
350G86.3Confident83.1Confident0 Ų040.7 Ų40.70%020%0.196CC..EExtended strand (participates in β ladder)trans-134.2155.6177.600000114.2G332 F333 E352 N366G332-G350 CarbonylContact C-O 3.59Å; F333-G350 PolarHBondContact N-O 2.9Å; F333-G350 PolarHBondContact O-N 2.97Å; G350-E352 PolarHBondContact O-N 2.85Å; G350-N366 WeakPolarHBondContact CA-OD1 3.31Å
351Q87.1Confident83.5Confident54 Ų5439.9 Ų39.925%0.25219%0.186SC..SBendtrans-63.5-17.1165.4-70.7168.5-2700113.3S59 N360 V361 A364 N366S59-Q351 PolarHBondContact OG-N 3.47Å; S59-Q351 VanDerWaalsContact OG-N 3.09Å; Q351-N360 CarbonylContact O-C 3.51Å; Q351-N360 WeakPolarHBondContact O-CA 3.43Å; Q351-V361 PolarHBondContact O-N 2.81Å; Q351-A364 HydrophobicContact CG-CB 3.95Å; Q351-A364 WeakPolarHBondContact CG-O 3.4Å; Q351-A364 PolarHBondContact NE2-O 2.99Å; Q351-N366 WeakPolarHBondContact CG-OD1 3.24Å; Q351-N366 PolarHBondContact N-OD1 3.1Å; Q351-N366 PolarHBondContact OE1-ND2 3.3Å; Q351-N366 VanDerWaalsContact OE1-ND2 3.11Å
352E87.9Confident84.1Confident22 Ų2246.2 Ų46.210%0.10321%0.211CC..SBendtrans-141.6153.2-173.2-52-177.9170.700112S59 K77 N335 G350 R357 N360S59-E352 PolarHBondContact OG-N 3.48Å; S59-E352 VanDerWaalsContact OG-N 3.09Å; K77-E352 VanDerWaalsContact NZ-CB 3.33Å; K77-E352 IonicContact NZ-OE2 2.7Å; K77-E352 PolarHBondContact NZ-OE2 2.79Å; N335-E352 PolarHBondContact ND2-O 3.1Å; G350-E352 PolarHBondContact O-N 2.85Å; E352-R357 HydrophobicContact CG-CG 4.45Å; E352-R357 VanDerWaalsContact OE1-CD 3.31Å; E352-R357 WeakPolarHBondContact OE1-CD 3.45Å; E352-R357 WeakPolarHBondContact OE1-CG 3.26Å; E352-R357 IonicContact OE1-CZ 3.56Å; E352-R357 IonicContact OE1-NE 3.65Å; E352-R357 PolarHBondContact OE1-NE 2.57Å; E352-R357 IonicContact OE1-NH2 3.61Å; E352-N360 HydrophobicContact CG-CB 4.37Å; E352-N360 WeakPolarHBondContact CG-ND2 3.09Å; E352-N360 PolarHBondContact OE1-ND2 2.96Å
353H86.9Confident84.5Confident0 Ų052.6 Ų52.60%024%0.24CC..  trans-62.6144.3173.1-172.6-124.6000112.4K77 F333 N335 Q355 G356 W358K77-H353 WeakPolarHBondContact CE-O 3.45Å; K77-H353 PolarHBondContact NZ-O 2.89Å; F333-H353 HydrophobicContact CD1-CB 3.69Å; F333-H353 HydrophobicContact CE1-CB 3.97Å; F333-H353 HydrophobicContact CG-CB 4.27Å; N335-H353 WeakPolarHBondContact OD1-CA 3.38Å; N335-H353 PolarHBondContact OD1-CD2 2.9Å; H353-Q355 VanDerWaalsContact C-N 3.31Å; H353-Q355 PolarHBondContact O-N 3.5Å; H353-G356 PolarHBondContact O-N 3.36Å; H353-W358 AromaticContact CE1-CZ3 3.98Å; H353-W358 AromaticContact ND1-CE3 3.86Å; H353-W358 AromaticContact ND1-CZ3 3.29Å; H353-W358 VanDerWaalsContact ND1-CZ3 3.29Å; H353-W358 WeakPolarHBondContact ND1-CZ3 3.27Å
354K86.8Confident84.6Confident36 Ų3650.2 Ų50.216%0.15722%0.223CC..THydrogen-bonded Turntrans-51.8-44.2-174.864.8-155-178.3-171.40114T61 K77 S284 N335T61-K354 HydrophobicContact CG2-CB 4.18Å; K77-K354 WeakPolarHBondContact CE-O 3.49Å; S284-K354 PolarHBondContact O-NZ 2.78Å; N335-K354 HydrophobicContact CB-CB 4Å; N335-K354 HydrophobicContact CB-CD 4.32Å; N335-K354 VanDerWaalsContact O-CD 3.29Å; N335-K354 WeakPolarHBondContact O-CD 3.17Å; N335-K354 PolarHBondContact O-NZ 3.01Å; N335-K354 PolarHBondContact OD1-N 2.95Å
355Q83.4Confident84.6Confident60 Ų6051 Ų5128%0.2823%0.229SC..THydrogen-bonded Turntrans-78.2-28.4-173.6-59.1-179.8-4.900114.6H353 W358H353-Q355 VanDerWaalsContact C-N 3.31Å; H353-Q355 PolarHBondContact O-N 3.5Å; Q355-W358 HydrophobicContact CB-CH2 3.84Å; Q355-W358 HydrophobicContact CB-CZ3 4.3Å
356G82.2Confident84.9Confident14 Ų1451.1 Ų51.114%0.14423%0.23CC..  trans-169.3165.5-165.600000114.7K77 H353 W358K77-G356 PolarHBondContact NZ-O 2.8Å; H353-G356 PolarHBondContact O-N 3.36Å; G356-W358 PolarHBondContact O-N 3.27Å
357R83.5Confident85Confident178 Ų17851.5 Ų51.567%0.67223%0.233SC*.  trans-101.152.4-179.1-166177.4-160.6-139.4-2.8111.3E352 W359 N360E352-R357 HydrophobicContact CG-CG 4.45Å; E352-R357 VanDerWaalsContact OE1-CD 3.31Å; E352-R357 WeakPolarHBondContact OE1-CD 3.45Å; E352-R357 WeakPolarHBondContact OE1-CG 3.26Å; E352-R357 IonicContact OE1-CZ 3.56Å; E352-R357 IonicContact OE1-NE 3.65Å; E352-R357 PolarHBondContact OE1-NE 2.57Å; E352-R357 IonicContact OE1-NH2 3.61Å; R357-W359 VanDerWaalsContact C-N 3.34Å; R357-N360 PolarHBondContact NH2-ND2 3.4Å
358W82.2Confident85.2Confident137 Ų13751.5 Ų51.552%0.51923%0.233SC..SBendtrans-73.9-31.7176.4-52.8-51.2000111.7W282 H353 Q355 G356W282-W358 HydrophobicContact CH2-CE3 4.29Å; W282-W358 AromaticContact CZ3-CE3 3.9Å; W282-W358 HydrophobicContact CZ3-CE3 3.9Å; W282-W358 HydrophobicContact CZ3-CZ3 4.2Å; H353-W358 AromaticContact CE1-CZ3 3.98Å; H353-W358 AromaticContact ND1-CE3 3.86Å; H353-W358 AromaticContact ND1-CZ3 3.29Å; H353-W358 VanDerWaalsContact ND1-CZ3 3.29Å; H353-W358 WeakPolarHBondContact ND1-CZ3 3.27Å; Q355-W358 HydrophobicContact CB-CH2 3.84Å; Q355-W358 HydrophobicContact CB-CZ3 4.3Å; G356-W358 PolarHBondContact O-N 3.27Å
359W79.8Confident85.1Confident96 Ų9651.6 Ų51.636%0.36423%0.233SC..  trans-134.8156.1175.5-32.4100.1000108.7W282 F333 R357W282-W359 AromaticContact CE2-NE1 3.87Å; W282-W359 AromaticContact CH2-CE2 3.72Å; W282-W359 AromaticContact CH2-CZ2 3.81Å; W282-W359 HydrophobicContact CH2-CZ2 3.81Å; W282-W359 AromaticContact CH2-NE1 3.03Å; W282-W359 AromaticContact CZ2-CE2 3.6Å; W282-W359 AromaticContact CZ2-CZ2 3.47Å; W282-W359 HydrophobicContact CZ2-CZ2 3.47Å; W282-W359 VanDerWaalsContact CZ2-CZ2 3.47Å; W282-W359 AromaticContact CZ2-NE1 3.22Å; W282-W359 AromaticContact CZ3-NE1 3.53Å; F333-W359 AromaticContact CE1-CD1 3.88Å; F333-W359 HydrophobicContact CE2-CB 3.92Å; F333-W359 HydrophobicContact CZ-CB 3.61Å; F333-W359 AromaticContact CZ-CD1 3.49Å; F333-W359 VanDerWaalsContact CZ-CD1 3.49Å; F333-W359 AromaticContact CZ-CG 3.84Å; F333-W359 HydrophobicContact CZ-CG 3.84Å; R357-W359 VanDerWaalsContact C-N 3.34Å
360N83.5Confident85.2Confident52 Ų5251.4 Ų51.428%0.27823%0.233SC..  trans-145.1106.6174.3179-82.4000108.2Q351 E352 R357 K362Q351-N360 CarbonylContact O-C 3.51Å; Q351-N360 WeakPolarHBondContact O-CA 3.43Å; E352-N360 HydrophobicContact CG-CB 4.37Å; E352-N360 WeakPolarHBondContact CG-ND2 3.09Å; E352-N360 PolarHBondContact OE1-ND2 2.96Å; R357-N360 PolarHBondContact NH2-ND2 3.4Å; N360-K362 PolarHBondContact O-N 3.17Å
361V82.7Confident85Confident32 Ų3251.6 Ų51.619%0.19423%0.233CC..  trans-8393.4176.5-177.40000107.9T331 F333 Q351 E363 A364T331-V361 WeakPolarHBondContact O-CG1 3.35Å; F333-V361 HydrophobicContact CE2-CG2 4.02Å; Q351-V361 PolarHBondContact O-N 2.81Å; V361-E363 PolarHBondContact O-N 2.89Å; V361-A364 HydrophobicContact CB-CB 4.11Å; V361-A364 HydrophobicContact CG1-CB 4.05Å; V361-A364 WeakPolarHBondContact O-CB 3.49Å; V361-A364 PolarHBondContact O-N 2.94Å
362K82.4Confident84.9Confident181 Ų18150.3 Ų50.379%0.78723%0.23SC*.THydrogen-bonded Turntrans-55.8-26.1-175.4-63-179.3-177.4176.20114.2N360N360-K362 PolarHBondContact O-N 3.17Å
363E81.6Confident84.4Confident137 Ų13749.6 Ų49.664%0.6423%0.227SC*.THydrogen-bonded Turntrans-81.4-23.6-179-64.3-171.5-154.400113.3K330 V361K330-E363 WeakPolarHBondContact CB-O 3.24Å; K330-E363 HydrophobicContact CD-CB 4.37Å; K330-E363 WeakPolarHBondContact CD-O 3.4Å; V361-E363 PolarHBondContact O-N 2.89Å
364A80.7Confident84.1Confident2 Ų254.6 Ų54.62%0.01725%0.248CC..  trans-66.7154.3-177.100000111.9T331 Q351 V361T331-A364 WeakPolarHBondContact O-CB 3.12Å; Q351-A364 HydrophobicContact CG-CB 3.95Å; Q351-A364 WeakPolarHBondContact CG-O 3.4Å; Q351-A364 PolarHBondContact NE2-O 2.99Å; V361-A364 HydrophobicContact CB-CB 4.11Å; V361-A364 HydrophobicContact CG1-CB 4.05Å; V361-A364 WeakPolarHBondContact O-CB 3.49Å; V361-A364 PolarHBondContact O-N 2.94Å
365V85.7Confident83.5Confident49 Ų4955.3 Ų55.330%0.29725%0.252SS..  trans-111.8128.5175.5-177.20000109S367V365-S367 PolarHBondContact O-N 3.38Å; V365-S367 PolarHBondContact O-OG 3.14Å
366N89.8Confident83Confident15 Ų1556.2 Ų56.28%0.0826%0.258CS..  trans-67.8111.9172.6-56.5-48.3000108.2R57 L58 S59 I349 G350 Q351R57-N366 PolarHBondContact O-ND2 3.11Å; L58-N366 VanDerWaalsContact C-CG 3.5Å; L58-N366 WeakPolarHBondContact O-CB 3.18Å; S59-N366 VanDerWaalsContact CA-OD1 3.23Å; S59-N366 WeakPolarHBondContact CA-OD1 3.3Å; S59-N366 PolarHBondContact N-OD1 3.22Å; S59-N366 PolarHBondContact OG-OD1 3.02Å; S59-N366 VanDerWaalsContact OG-OD1 3.09Å; I349-N366 WeakPolarHBondContact O-CA 3.4Å; G350-N366 WeakPolarHBondContact CA-OD1 3.31Å; Q351-N366 WeakPolarHBondContact CG-OD1 3.24Å; Q351-N366 PolarHBondContact N-OD1 3.1Å; Q351-N366 PolarHBondContact OE1-ND2 3.3Å; Q351-N366 VanDerWaalsContact OE1-ND2 3.11Å
367S90Very high82.2Confident9 Ų963.4 Ų63.46%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-159.1156.6-171.554.90000112.7L53 I349 V365L53-S367 WeakPolarHBondContact O-CA 3.47Å; L53-S367 WeakPolarHBondContact O-CB 3.07Å; I349-S367 WeakPolarHBondContact CA-O 3.14Å; I349-S367 WeakPolarHBondContact CB-O 3.46Å; I349-S367 PolarHBondContact N-O 2.91Å; I349-S367 PolarHBondContact O-N 2.76Å; V365-S367 PolarHBondContact O-N 3.38Å; V365-S367 PolarHBondContact O-OG 3.14Å
368V90.2Very high80.6Confident0 Ų065 Ų650%032%0.316CS..EExtended strand (participates in β ladder)trans-101.1127168.3-178.10000107.2L53 V60 V63 S74 V346 A347L53-V368 HydrophobicContact CB-CB 4.21Å; L53-V368 PolarHBondContact N-O 3.19Å; L53-V368 PolarHBondContact O-N 3.4Å; V60-V368 HydrophobicContact CG1-CG2 4.4Å; V60-V368 HydrophobicContact CG2-CG2 4.36Å; V63-V368 HydrophobicContact CG1-CG1 4.21Å; V63-V368 HydrophobicContact CG1-CG2 4.26Å; S74-V368 WeakPolarHBondContact OG-CG2 3.33Å; V346-V368 HydrophobicContact CG1-CG1 3.37Å; A347-V368 WeakPolarHBondContact O-CA 3.35Å
369V87.5Confident80.6Confident2 Ų261.5 Ų61.51%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-109.6132.5179.4-175.50000109.2I50 Q51 V52 F326 V346 A347 I349 I371I50-V369 HydrophobicContact CG2-CG1 3.32Å; Q51-V369 WeakPolarHBondContact O-CA 3.43Å; V52-V369 HydrophobicContact CG1-CG2 4.35Å; V52-V369 HydrophobicContact CG2-CG1 4.29Å; V52-V369 HydrophobicContact CG2-CG2 4.17Å; F326-V369 HydrophobicContact CE1-CG1 4.24Å; V346-V369 CarbonylContact C-O 3.5Å; V346-V369 WeakPolarHBondContact CA-O 3.09Å; A347-V369 HydrophobicContact CB-CB 4.45Å; A347-V369 PolarHBondContact N-O 3.37Å; A347-V369 PolarHBondContact O-N 3.32Å; I349-V369 HydrophobicContact CD1-CB 4.35Å; I349-V369 HydrophobicContact CD1-CG2 3.49Å; I349-V369 VanDerWaalsContact CD1-CG2 3.49Å; I349-V369 HydrophobicContact CG1-CG2 4.08Å; V369-I371 HydrophobicContact CG1-CD1 4.4Å; V369-I371 HydrophobicContact CG1-CG1 4.02Å
370V88.2Confident80.6Confident4 Ų459.6 Ų59.62%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-112.5124.1-179.1-166.50000108.1I50 Q51 L53 L86 L344 V346I50-V370 WeakPolarHBondContact CA-O 3.47Å; Q51-V370 HydrophobicContact CB-CB 4.05Å; Q51-V370 HydrophobicContact CB-CG2 4.2Å; Q51-V370 PolarHBondContact N-O 2.68Å; Q51-V370 VanDerWaalsContact N-O 3.1Å; Q51-V370 PolarHBondContact O-N 2.73Å; L53-V370 HydrophobicContact CD1-CG2 3.87Å; L53-V370 HydrophobicContact CG-CG2 4.24Å; L86-V370 HydrophobicContact CD1-CG1 4.3Å; L86-V370 HydrophobicContact CD2-CG1 4.43Å; L86-V370 HydrophobicContact CD2-CG2 3.8Å; L344-V370 HydrophobicContact CD2-CG1 4.27Å; V346-V370 HydrophobicContact CG2-CB 4.43Å; V346-V370 HydrophobicContact CG2-CG1 4.04Å; V346-V370 HydrophobicContact CG2-CG2 4.26Å
371I83.8Confident80.4Confident4 Ų460.1 Ų60.12%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-123.6106.9-171.3-58.5172.1000107.3P45 I50 V324 F326 L345 V369 L373P45-I371 HydrophobicContact CG-CG2 3.8Å; I50-I371 HydrophobicContact CG2-CG1 4.23Å; V324-I371 HydrophobicContact CG1-CD1 4.39Å; V324-I371 HydrophobicContact CG2-CD1 4.47Å; V324-I371 HydrophobicContact CG2-CG2 4.26Å; F326-I371 HydrophobicContact CE1-CD1 4.36Å; F326-I371 HydrophobicContact CZ-CD1 3.91Å; L345-I371 HydrophobicContact CB-CB 4.29Å; L345-I371 HydrophobicContact CD2-CD1 4.32Å; L345-I371 PolarHBondContact N-O 2.94Å; L345-I371 PolarHBondContact O-N 2.64Å; V369-I371 HydrophobicContact CG1-CD1 4.4Å; V369-I371 HydrophobicContact CG1-CG1 4.02Å; I371-L373 HydrophobicContact CG2-CD2 4.34Å
372P84Confident80.3Confident27 Ų2761.7 Ų61.718%0.17531%0.31CS..EExtended strand (participates in β ladder)trans-72.5131.4174.627.7-30.8000110.6P45 E49 L344P45-P372 HydrophobicContact CB-CG 4.09Å; P45-P372 WeakPolarHBondContact CB-O 3.5Å; P45-P372 WeakPolarHBondContact CD-O 3.47Å; P45-P372 VanDerWaalsContact CG-O 3.26Å; P45-P372 WeakPolarHBondContact CG-O 3.26Å; E49-P372 HydrophobicContact CB-CG 3.91Å; E49-P372 WeakPolarHBondContact O-CD 3.42Å; E49-P372 WeakPolarHBondContact O-CG 3.33Å; L344-P372 HydrophobicContact CD2-CB 4.35Å
373L78.3Confident80.2Confident7 Ų754.3 Ų54.34%0.03728%0.28CS..  trans-103.9120.9175.4-59.9179.8000108.5V289 F322 S343 L345 I371 F375V289-L373 HydrophobicContact CG1-CD1 4.13Å; F322-L373 HydrophobicContact CD1-CD2 4.23Å; F322-L373 HydrophobicContact CE1-CD2 4.05Å; S343-L373 WeakPolarHBondContact CA-O 3.33Å; S343-L373 PolarHBondContact O-N 2.8Å; L345-L373 HydrophobicContact CB-CD1 4.16Å; L345-L373 HydrophobicContact CB-CG 4.39Å; I371-L373 HydrophobicContact CG2-CD2 4.34Å; L373-F375 HydrophobicContact CB-CE2 3.99Å; L373-F375 HydrophobicContact CB-CZ 4.08Å
374K79.8Confident80.1Confident104 Ų10448.7 Ų48.745%0.45226%0.256SS..EExtended strand (participates in β ladder)trans-110.3144.7176.3-72.5170.7175.9170.20108.8V42 I43 E49V42-K374 CarbonylContact C-O 3.6Å; V42-K374 WeakPolarHBondContact CA-O 3.37Å; V42-K374 VanDerWaalsContact CG1-O 3.26Å; V42-K374 WeakPolarHBondContact CG1-O 3.41Å; I43-K374 HydrophobicContact CB-CB 4.1Å; I43-K374 HydrophobicContact CD1-CB 4.22Å; I43-K374 PolarHBondContact N-O 3.04Å; E49-K374 WeakPolarHBondContact OE2-CE 3.45Å; E49-K374 IonicContact OE2-NZ 3.38Å; E49-K374 PolarHBondContact OE2-NZ 2.83Å
375F75.3Confident80Confident52 Ų5252.1 Ų52.123%0.22827%0.273CS..EExtended strand (participates in β ladder)trans-122.6143.8-179-56.9-94.1000108.4I38 V42 M292 G342 L373I38-F375 HydrophobicContact CB-CD1 3.92Å; I38-F375 HydrophobicContact CB-CE1 4.31Å; I38-F375 HydrophobicContact CD1-CD1 3.69Å; I38-F375 HydrophobicContact CD1-CE1 3.41Å; I38-F375 VanDerWaalsContact CD1-CE1 3.41Å; I38-F375 HydrophobicContact CD1-CG 4.42Å; I38-F375 HydrophobicContact CD1-CZ 3.94Å; I38-F375 HydrophobicContact CG1-CD1 3.77Å; I38-F375 HydrophobicContact CG1-CE1 3.64Å; V42-F375 HydrophobicContact CB-CD1 4.08Å; V42-F375 HydrophobicContact CB-CE1 4.07Å; V42-F375 HydrophobicContact CG1-CD1 3.81Å; V42-F375 HydrophobicContact CG1-CE1 3.56Å; V42-F375 HydrophobicContact CG1-CG 4.45Å; V42-F375 HydrophobicContact CG1-CZ 4.01Å; V42-F375 HydrophobicContact CG2-CD1 3.63Å; V42-F375 HydrophobicContact CG2-CE1 3.45Å; V42-F375 VanDerWaalsContact CG2-CE1 3.45Å; M292-F375 HydrophobicContact CE-CE1 4.2Å; G342-F375 WeakPolarHBondContact O-CE2 3.49Å; G342-F375 WeakPolarHBondContact O-CZ 3.21Å; L373-F375 HydrophobicContact CB-CE2 3.99Å; L373-F375 HydrophobicContact CB-CZ 4.08Å
376N72.2Confident79.6Confident78 Ų7852.3 Ų52.342%0.41727%0.272SS..  trans-79.4134.2164.2-66.8-70.5000109.1S41 I43 N378S41-N376 VanDerWaalsContact CB-O 3.27Å; S41-N376 WeakPolarHBondContact CB-O 3.42Å; S41-N376 PolarHBondContact O-N 2.59Å; S41-N376 PolarHBondContact O-ND2 3.37Å; S41-N376 VanDerWaalsContact O-ND2 3.14Å; S41-N376 PolarHBondContact OG-O 2.92Å; I43-N376 WeakPolarHBondContact CG1-ND2 3.25Å; N376-N378 PolarHBondContact O-N 2.83Å
377D64.3Low78.7Confident166 Ų16655.4 Ų55.489%0.88829%0.288SS*.  trans-79.691.6168.6-60.7-50.2000109
378N51.3Low77.7Confident212 Ų21259.6 Ų59.6100%1.13431%0.308SS*.  trans-132.40-179.9-85-14.1000110.6N376N376-N378 PolarHBondContact O-N 2.83Å

Retrieved 378 of 378 residues in 360.3 ms (Link to these results)

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