A0A3Q0KFQ1_SCHMA Loading...

WD repeat domain-containing protein 83 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KFQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 355 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
1M35.2Very low37.2Very low242 Ų242147.3 Ų147.3100%1.19279%0.794SS**  094.90-89.8174175.900107.8
2M32.1Very low38.8Very low193 Ų193143.1 Ų143.195%0.95178%0.777SS**  trans-100.698.6165.6-70.8-178-165.800105.6S4M2-S4 PolarHBondContact O-N 3.28Å
3N33.3Very low41.1Very low164 Ų164138.3 Ų138.388%0.87775%0.75SS**  trans-74.3105.8166.2-1000.9000106.9G5N3-G5 VanDerWaalsContact C-N 3.25Å; N3-G5 PolarHBondContact O-N 3.41Å
4S35.6Very low44.2Very low108 Ų108130.6 Ų130.676%0.75572%0.719SS**  trans-61.689.1159.250.60000108.6M2 N6M2-S4 PolarHBondContact O-N 3.28Å; S4-N6 PolarHBondContact O-N 3.22Å; S4-N6 VanDerWaalsContact O-N 3.09Å
5G35.2Very low47.3Very low67 Ų67123.8 Ų123.869%0.69168%0.681SS**  trans-75.177.315600000107.8N3 D7N3-G5 VanDerWaalsContact C-N 3.25Å; N3-G5 PolarHBondContact O-N 3.41Å; G5-D7 VanDerWaalsContact C-N 3.31Å; G5-D7 PolarHBondContact O-N 3.04Å; G5-D7 VanDerWaalsContact O-N 3.16Å
6N35.4Very low50.1Low145 Ų145116.1 Ų116.178%0.77564%0.639SS**  trans-68.7105.3153.5-94.3-2.9000104.4S4 D8S4-N6 PolarHBondContact O-N 3.22Å; S4-N6 VanDerWaalsContact O-N 3.09Å; N6-D8 PolarHBondContact O-N 3.1Å
7D36.7Very low52.6Low132 Ų132110.5 Ų110.571%0.70661%0.609SS**  trans-52.1107.6170.3-93.6-36.4000108.6G5 S9G5-D7 VanDerWaalsContact C-N 3.31Å; G5-D7 PolarHBondContact O-N 3.04Å; G5-D7 VanDerWaalsContact O-N 3.16Å; D7-S9 PolarHBondContact O-N 3.08Å
8D38.6Very low54.7Low151 Ų151108.9 Ų108.981%0.80760%0.596SS**  trans-67.730162.7-89.8-26.8000111.1N6 Y10 K11N6-D8 PolarHBondContact O-N 3.1Å; D8-Y10 PolarHBondContact O-N 2.9Å; D8-K11 PolarHBondContact O-N 3.06Å
9S39.5Very low56.5Low87 Ų87104.4 Ų104.461%0.60857%0.573SS**  trans-69.2-3179.665.30000113D7 K11D7-S9 PolarHBondContact O-N 3.08Å; S9-K11 PolarHBondContact O-N 3.39Å; S9-K11 VanDerWaalsContact O-N 3.15Å
10Y40.9Very low58.2Low168 Ų168103.8 Ų103.866%0.65956%0.562SS**  trans-80.435.3163.5-60.9-74.7000112.6D8 T12 L257D8-Y10 PolarHBondContact O-N 2.9Å; Y10-T12 PolarHBondContact O-N 3.29Å; Y10-L257 HydrophobicContact CE1-CD1 4.48Å
11K47.3Very low59.5Low163 Ų16398.9 Ų98.971%0.70954%0.536SS*.  trans-36.4114.7157.6-88.1-176.1174.9-178.50107.2D8 S9 L13D8-K11 PolarHBondContact O-N 3.06Å; S9-K11 PolarHBondContact O-N 3.39Å; S9-K11 VanDerWaalsContact O-N 3.15Å; K11-L13 PolarHBondContact O-N 2.69Å
12T55.9Low62.1Low97 Ų9787.8 Ų87.860%0.59548%0.481SS*.  trans-44.6116.6179.437.40000108.8Y10 G14 K349Y10-T12 PolarHBondContact O-N 3.29Å; T12-G14 PolarHBondContact O-N 3.21Å; T12-G14 VanDerWaalsContact O-N 3.15Å; T12-K349 PolarHBondContact O-NZ 3.33Å; T12-K349 VanDerWaalsContact O-NZ 3.08Å
13L68.9Low64.9Low81 Ų8179.2 Ų79.242%0.42444%0.438SS..  trans-61113167.8-78.9164.5000105.5K11K11-L13 PolarHBondContact O-N 2.69Å
14G84Confident67.6Low31 Ų3173.1 Ų73.132%0.3241%0.405SS..  trans-61.1147.617800000109.9T12 S331 A346T12-G14 PolarHBondContact O-N 3.21Å; T12-G14 VanDerWaalsContact O-N 3.15Å; G14-S331 WeakPolarHBondContact O-CB 3.44Å; G14-S331 PolarHBondContact O-OG 3.15Å; G14-A346 WeakPolarHBondContact O-CB 3.29Å
15L91.1Very high70.2Confident28 Ų2868 Ų6815%0.14737%0.369CS..  trans-68142-174.7-72.5170.8000112.1T17 M255 H260 V273 I283 A346L15-T17 HydrophobicContact CB-CG2 3.88Å; L15-T17 PolarHBondContact O-N 2.94Å; L15-T17 PolarHBondContact O-OG1 3.48Å; L15-M255 HydrophobicContact CD2-CE 3.81Å; L15-H260 HydrophobicContact CD2-CB 4.42Å; L15-V273 HydrophobicContact CD1-CG1 4.23Å; L15-V273 HydrophobicContact CD2-CG1 4.01Å; L15-I283 HydrophobicContact CD1-CD1 4.45Å; L15-I283 HydrophobicContact CD1-CG2 4.09Å; L15-A346 WeakPolarHBondContact O-CA 3.32Å
16P92.5Very high72.9Confident1 Ų168.8 Ų68.81%0.00635%0.354CS..  trans-76.875.4179.231.7-32.2000111.2M255 S331 L333 W344 D345P16-M255 HydrophobicContact CG-CE 3.88Å; P16-M255 HydrophobicContact CG-SD 3.59Å; P16-M255 VanDerWaalsContact CG-SD 3.59Å; P16-S331 WeakPolarHBondContact CD-OG 3.33Å; P16-L333 HydrophobicContact CB-CB 4.1Å; P16-L333 HydrophobicContact CG-CB 3.8Å; P16-W344 HydrophobicContact CB-CB 4.24Å; P16-W344 WeakPolarHBondContact O-CB 3.31Å; P16-D345 CarbonylContact C-O 3.55Å; P16-D345 VanDerWaalsContact CA-C 3.47Å; P16-D345 VanDerWaalsContact CA-O 3.26Å; P16-D345 WeakPolarHBondContact CA-O 3.41Å
17T91.6Very high75.6Confident21 Ų2161.9 Ų61.913%0.12932%0.317CS..  trans-102.9-12.5-174.853.10000113.4L15 H284 L286 W344 D345L15-T17 HydrophobicContact CB-CG2 3.88Å; L15-T17 PolarHBondContact O-N 2.94Å; L15-T17 PolarHBondContact O-OG1 3.48Å; T17-H284 HydrophobicContact CG2-CB 4.14Å; T17-L286 HydrophobicContact CG2-CD2 4.15Å; T17-W344 WeakPolarHBondContact O-CZ3 3.48Å; T17-D345 PolarHBondContact N-O 3.32Å
18Q90.9Very high78.3Confident81 Ų8159.4 Ų59.438%0.37931%0.31SS..EExtended strand (participates in β ladder)trans-93124.8-178.9-63.2-58.9-35.700110.6Y20 W344 D345 E347Q18-Y20 PolarHBondContact O-N 2.92Å; Q18-Y20 VanDerWaalsContact O-N 3.12Å; Q18-W344 CarbonylContact O-C 3.56Å; Q18-W344 VanDerWaalsContact O-CA 3.26Å; Q18-W344 WeakPolarHBondContact O-CA 3.48Å; Q18-D345 PolarHBondContact N-O 3.39Å; Q18-D345 PolarHBondContact O-N 3.07Å; Q18-E347 HydrophobicContact CG-CB 4.31Å; Q18-E347 HydrophobicContact CG-CG 3.38Å; Q18-E347 PolarHBondContact NE2-OE1 2.8Å
19P89.4Confident80.9Confident24 Ų2453.4 Ų53.416%0.15628%0.282CS..EExtended strand (participates in β ladder)trans-67114.7174.527.4-31.9000109.3A294 V297 W344P19-A294 HydrophobicContact CB-CB 3.64Å; P19-A294 HydrophobicContact CG-CB 4.12Å; P19-V297 HydrophobicContact CB-CG2 4.1Å; P19-V297 HydrophobicContact CG-CG2 3.98Å; P19-W344 HydrophobicContact CB-CE3 4.17Å; P19-W344 HydrophobicContact CB-CH2 4.28Å; P19-W344 HydrophobicContact CB-CZ3 4.01Å; P19-W344 HydrophobicContact CG-CZ3 4.3Å
20Y89.2Confident83.6Confident92 Ų9249.3 Ų49.336%0.36125%0.253SS..EExtended strand (participates in β ladder)trans-83.3-41.5177.2-178.1-90.6000111.2Q18 Y57 F59 V297 L343 D345Q18-Y20 PolarHBondContact O-N 2.92Å; Q18-Y20 VanDerWaalsContact O-N 3.12Å; Y20-Y57 PolarHBondContact OH-O 3.4Å; Y20-F59 HydrophobicContact CD1-CE1 4.23Å; Y20-F59 HydrophobicContact CD1-CZ 4.44Å; Y20-F59 AromaticContact CE1-CE1 3.82Å; Y20-F59 HydrophobicContact CE1-CE1 3.82Å; Y20-F59 AromaticContact CE1-CZ 3.76Å; Y20-F59 HydrophobicContact CE1-CZ 3.76Å; Y20-V297 WeakPolarHBondContact O-CG1 3.43Å; Y20-L343 WeakPolarHBondContact CA-O 3.15Å; Y20-L343 WeakPolarHBondContact CB-O 3.41Å; Y20-L343 HydrophobicContact CD1-CB 4.37Å; Y20-L343 HydrophobicContact CD1-CD2 3.53Å; Y20-L343 HydrophobicContact CD1-CG 4.22Å; Y20-L343 HydrophobicContact CE1-CD2 4.06Å; Y20-L343 HydrophobicContact CG-CD2 4.11Å; Y20-L343 HydrophobicContact CG-CG 4.48Å; Y20-L343 PolarHBondContact N-O 2.8Å; Y20-D345 HydrophobicContact CD2-CB 4.4Å
21C86.9Confident86.2Confident1 Ų144.8 Ų44.81%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-166.7151.6179.5171.20000112.4F59 W342 L343C21-F59 HydrophobicContact CB-CD1 3.91Å; C21-F59 HydrophobicContact CB-CE1 3.25Å; C21-F59 HydrophobicContact CB-CZ 4.05Å; C21-F59 WeakPolarHBondContact SG-CD1 3.49Å; C21-F59 WeakPolarHBondContact SG-CE1 3.44Å; C21-W342 CarbonylContact O-C 3.53Å; C21-W342 VanDerWaalsContact O-CA 3.26Å; C21-W342 WeakPolarHBondContact O-CA 3.35Å; C21-L343 PolarHBondContact N-O 3.17Å; C21-L343 PolarHBondContact O-N 3.23Å
22R89.2Confident88.6Confident8 Ų837 Ų373%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-106.9132.4159.8-174.1-174.763.9-159.5-14.5112.8W295 V297 F340 A341 W342R22-W295 VanDerWaalsContact NH1-CD1 3.3Å; R22-W295 VanDerWaalsContact NH1-NE1 3.13Å; R22-W295 PolarHBondContact NH1-O 2.89Å; R22-W295 PolarHBondContact NH2-O 3Å; R22-V297 PolarHBondContact N-O 3.45Å; R22-F340 HydrophobicContact CG-CB 4.26Å; R22-F340 HydrophobicContact CG-CD1 3.99Å; R22-F340 HydrophobicContact CG-CG 4.45Å; R22-A341 CarbonylContact C-O 3.59Å; R22-A341 WeakPolarHBondContact CA-O 3.18Å; R22-W342 HydrophobicContact CB-CG 4.34Å; R22-W342 HydrophobicContact CG-CD2 4.1Å; R22-W342 HydrophobicContact CG-CG 4.33Å; R22-W342 HydrophobicContact CG-CZ2 3.91Å
23I89.8Confident90.6Very high13 Ų1332.4 Ų32.47%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-102.7123.7172-56.3173.9000108.5C25 W54 F340 A341I23-C25 PolarHBondContact O-N 3.38Å; I23-W54 HydrophobicContact CG2-CD2 4.21Å; I23-W54 HydrophobicContact CG2-CE3 3.95Å; I23-W54 HydrophobicContact CG2-CH2 3.99Å; I23-W54 HydrophobicContact CG2-CZ2 4.24Å; I23-W54 HydrophobicContact CG2-CZ3 3.83Å; I23-F340 VanDerWaalsContact O-CA 3.31Å; I23-F340 WeakPolarHBondContact O-CA 3.37Å; I23-A341 PolarHBondContact N-O 3.33Å; I23-A341 PolarHBondContact O-N 2.52Å
24H90.1Very high92Very high37 Ų3730 Ų3017%0.17116%0.158CC..EExtended strand (participates in β ladder)trans-80.2111.7162.8-166.2-41.8000108.1H26 D339 F340H24-H26 AromaticContact CD2-CE1 3.95Å; H24-H26 AromaticContact CE1-CE1 3.65Å; H24-H26 AromaticContact CE1-CG 3.89Å; H24-H26 AromaticContact CE1-ND1 3.34Å; H24-H26 PolarHBondContact CE1-ND1 2.96Å; H24-H26 VanDerWaalsContact CE1-ND1 3.34Å; H24-H26 AromaticContact CG-CE1 3.65Å; H24-H26 AromaticContact CG-NE2 3.74Å; H24-H26 AromaticContact ND1-CD2 3.68Å; H24-H26 AromaticContact ND1-CE1 3.42Å; H24-H26 PolarHBondContact ND1-CE1 3.36Å; H24-H26 AromaticContact ND1-CG 3.48Å; H24-H26 PolarHBondContact ND1-N 3.45Å; H24-H26 AromaticContact ND1-ND1 3.31Å; H24-H26 PolarHBondContact ND1-ND1 2.99Å; H24-H26 AromaticContact ND1-NE2 3.65Å; H24-H26 AromaticContact NE2-CE1 3.97Å; H24-H26 PolarHBondContact O-CD2 3.35Å; H24-H26 VanDerWaalsContact O-CD2 3.28Å; H24-D339 IonicContact CE1-OD2 3.77Å; H24-D339 PolarHBondContact CE1-OD2 3.33Å; H24-D339 IonicContact ND1-OD2 3.13Å; H24-F340 HydrophobicContact CB-CD1 4.14Å; H24-F340 HydrophobicContact CB-CE1 3.97Å; H24-F340 AromaticContact CD2-CE1 3.43Å; H24-F340 VanDerWaalsContact CD2-CE1 3.43Å; H24-F340 WeakPolarHBondContact CD2-CE1 3.35Å; H24-F340 AromaticContact CD2-CZ 3.88Å; H24-F340 AromaticContact CG-CE1 3.71Å
25C91.5Very high92.7Very high0 Ų028.8 Ų28.80%014%0.144CC..  trans-79.1-28.1-170.4-67.30000112.3I23 Q27 V30 K52 W54 D339I23-C25 PolarHBondContact O-N 3.38Å; C25-Q27 VanDerWaalsContact C-N 3.32Å; C25-Q27 HydrophobicContact CB-CB 4.22Å; C25-Q27 HydrophobicContact CB-CG 4.27Å; C25-V30 HydrophobicContact CB-CG2 3.58Å; C25-K52 WeakPolarHBondContact O-CD 3.45Å; C25-K52 PolarHBondContact O-NZ 2.81Å; C25-W54 HydrophobicContact CB-CZ2 4.28Å; C25-D339 WeakPolarHBondContact CB-O 3.45Å; C25-D339 PolarHBondContact N-O 3.27Å
26H90.6Very high93Very high83 Ų8327.9 Ų27.938%0.38414%0.139SC..  trans55.151.6-174.6-54.2-81.7000110.3H24 K52 D339H24-H26 AromaticContact CD2-CE1 3.95Å; H24-H26 AromaticContact CE1-CE1 3.65Å; H24-H26 AromaticContact CE1-CG 3.89Å; H24-H26 AromaticContact CE1-ND1 3.34Å; H24-H26 PolarHBondContact CE1-ND1 2.96Å; H24-H26 VanDerWaalsContact CE1-ND1 3.34Å; H24-H26 AromaticContact CG-CE1 3.65Å; H24-H26 AromaticContact CG-NE2 3.74Å; H24-H26 AromaticContact ND1-CD2 3.68Å; H24-H26 AromaticContact ND1-CE1 3.42Å; H24-H26 PolarHBondContact ND1-CE1 3.36Å; H24-H26 AromaticContact ND1-CG 3.48Å; H24-H26 PolarHBondContact ND1-N 3.45Å; H24-H26 AromaticContact ND1-ND1 3.31Å; H24-H26 PolarHBondContact ND1-ND1 2.99Å; H24-H26 AromaticContact ND1-NE2 3.65Å; H24-H26 AromaticContact NE2-CE1 3.97Å; H24-H26 PolarHBondContact O-CD2 3.35Å; H24-H26 VanDerWaalsContact O-CD2 3.28Å; H26-K52 PolarHBondContact O-NZ 3.01Å; H26-D339 WeakPolarHBondContact CA-OD1 3.18Å; H26-D339 WeakPolarHBondContact CA-OD2 3.37Å; H26-D339 PolarHBondContact N-OD1 2.82Å
27Q93.2Very high93.1Very high0 Ų029.7 Ų29.70%016%0.155CC..SBendtrans-130.213.8-176.1-77.2-172.2-73.100112.3C25 V30 T44 G47 D48 T50 K52 D339C25-Q27 VanDerWaalsContact C-N 3.32Å; C25-Q27 HydrophobicContact CB-CB 4.22Å; C25-Q27 HydrophobicContact CB-CG 4.27Å; Q27-V30 HydrophobicContact CB-CG2 4.35Å; Q27-T44 PolarHBondContact NE2-O 2.86Å; Q27-T44 VanDerWaalsContact NE2-O 3.16Å; Q27-T44 PolarHBondContact OE1-OG1 3.04Å; Q27-G47 PolarHBondContact O-N 2.96Å; Q27-D48 VanDerWaalsContact CA-CG 3.49Å; Q27-D48 PolarHBondContact O-N 3.28Å; Q27-T50 PolarHBondContact NE2-O 2.78Å; Q27-T50 PolarHBondContact NE2-OG1 2.77Å; Q27-K52 HydrophobicContact CG-CD 3.7Å; Q27-K52 HydrophobicContact CG-CG 4.23Å; Q27-D339 PolarHBondContact N-OD1 3.31Å; Q27-D339 PolarHBondContact N-OD2 2.93Å
28S92.4Very high93.2Very high80 Ų8030.9 Ų30.956%0.55916%0.16SC*.SBendtrans57.3-136-167-176.90000109V30 D339S28-V30 PolarHBondContact O-N 2.84Å; S28-V30 VanDerWaalsContact O-N 3.14Å; S28-D339 PolarHBondContact N-OD1 2.79Å; S28-D339 PolarHBondContact N-OD2 3.06Å; S28-D339 WeakPolarHBondContact O-CA 3.39Å; S28-D339 VanDerWaalsContact O-CB 3.25Å; S28-D339 WeakPolarHBondContact O-CB 3.42Å; S28-D339 VanDerWaalsContact O-OD1 3.11Å
29A93.2Very high93.4Very high26 Ų2627 Ų2722%0.21514%0.142CC..SBendtrans-65.5113.7175.500000111.7R31 G46 G47 G338A29-R31 PolarHBondContact O-N 2.83Å; A29-G46 CarbonylContact O-C 3.56Å; A29-G47 PolarHBondContact O-N 3.41Å; A29-G338 CarbonylContact C-O 3.46Å; A29-G338 WeakPolarHBondContact CA-O 3.39Å
30V96.1Very high93.7Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-73.6105.2169.7178.80000108.3C25 Q27 S28 T44 A45 H322 A336 G338C25-V30 HydrophobicContact CB-CG2 3.58Å; Q27-V30 HydrophobicContact CB-CG2 4.35Å; S28-V30 PolarHBondContact O-N 2.84Å; S28-V30 VanDerWaalsContact O-N 3.14Å; V30-T44 HydrophobicContact CG1-CG2 4.23Å; V30-A45 CarbonylContact C-O 3.59Å; V30-A45 WeakPolarHBondContact CA-O 3.34Å; V30-H322 PolarHBondContact O-CE1 2.86Å; V30-H322 PolarHBondContact O-NE2 2.92Å; V30-A336 HydrophobicContact CB-CB 4.46Å; V30-A336 HydrophobicContact CG1-CB 3.79Å; V30-G338 PolarHBondContact N-O 2.92Å
31R97Very high94.1Very high74 Ų7429.5 Ų29.528%0.27915%0.154SC..EExtended strand (participates in β ladder)trans-78.1-31.2-176.1-60.4-56.5-169.6-169.8-4.6113.4A29 A45 E71 V72 H322A29-R31 PolarHBondContact O-N 2.83Å; R31-A45 PolarHBondContact N-O 3.39Å; R31-E71 IonicContact CZ-OE2 2.94Å; R31-E71 IonicContact NE-OE2 3.64Å; R31-E71 PolarHBondContact NE-OE2 3.43Å; R31-E71 VanDerWaalsContact NH2-CD 3.29Å; R31-E71 IonicContact NH2-OE1 2.92Å; R31-E71 PolarHBondContact NH2-OE1 3.11Å; R31-E71 IonicContact NH2-OE2 3.88Å; R31-E71 PolarHBondContact NH2-OE2 3.29Å; R31-V72 VanDerWaalsContact CB-O 3.23Å; R31-V72 WeakPolarHBondContact CB-O 3.45Å; R31-V72 VanDerWaalsContact CG-O 3.27Å; R31-V72 WeakPolarHBondContact CG-O 3.23Å; R31-H322 PolarHBondContact O-CD2 2.94Å; R31-H322 VanDerWaalsContact O-CD2 3.29Å; R31-H322 PolarHBondContact O-NE2 2.97Å
32A97.8Very high94.6Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-149.3144.4174.100000110.6T44 A45 D74A32-T44 CarbonylContact O-C 3.58Å; A32-T44 VanDerWaalsContact O-CA 3.31Å; A32-T44 WeakPolarHBondContact O-CA 3.43Å; A32-A45 HydrophobicContact CB-CB 4.21Å; A32-A45 PolarHBondContact O-N 2.93Å; A32-D74 WeakPolarHBondContact CB-OD1 3.14Å
33A98Very high95.1Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-127124.9166.400000109.3M43 T44 S323 S325 L334 A336 A341A33-M43 CarbonylContact C-O 3.53Å; A33-M43 VanDerWaalsContact CA-O 3.27Å; A33-M43 WeakPolarHBondContact CA-O 3.46Å; A33-T44 HydrophobicContact CB-CG2 4.03Å; A33-S323 PolarHBondContact N-OG 3.09Å; A33-S323 PolarHBondContact O-OG 3.01Å; A33-S325 VanDerWaalsContact O-CB 3.31Å; A33-S325 WeakPolarHBondContact O-CB 3.25Å; A33-L334 HydrophobicContact CB-CD2 3.79Å; A33-L334 HydrophobicContact CB-CG 3.97Å; A33-A336 HydrophobicContact CB-CB 3.46Å; A33-A336 VanDerWaalsContact CB-CB 3.46Å; A33-A341 HydrophobicContact CB-CB 4.47Å
34R98.2Very high95.5Very high29 Ų2928.4 Ų28.411%0.10915%0.149CC..EExtended strand (participates in β ladder)trans-130.8138.6-176.3-55.8-60.4177.2-140.72.6111.2C42 M43 D74 V75 D251 S323 V324R34-C42 CarbonylContact O-C 3.55Å; R34-C42 VanDerWaalsContact O-CA 3.24Å; R34-C42 WeakPolarHBondContact O-CA 3.4Å; R34-C42 WeakPolarHBondContact O-CB 2.88Å; R34-M43 HydrophobicContact CB-CE 3.92Å; R34-M43 PolarHBondContact N-O 3.13Å; R34-M43 PolarHBondContact O-N 3.3Å; R34-D74 IonicContact CZ-OD1 2.8Å; R34-D74 IonicContact NE-OD1 3.18Å; R34-D74 PolarHBondContact NE-OD1 3.15Å; R34-D74 IonicContact NH2-OD1 2.76Å; R34-D74 PolarHBondContact NH2-OD1 3.05Å; R34-V75 WeakPolarHBondContact CG-O 3.46Å; R34-D251 IonicContact CZ-OD2 3.98Å; R34-D251 VanDerWaalsContact CZ-OD2 3.25Å; R34-D251 IonicContact NH1-OD2 3.06Å; R34-D251 PolarHBondContact NH1-OD2 2.87Å; R34-D251 IonicContact NH2-OD1 3.13Å; R34-D251 IonicContact NH2-OD2 3.82Å; R34-D251 PolarHBondContact NH2-OD2 2.76Å; R34-S323 PolarHBondContact NH1-OG 2.83Å; R34-V324 PolarHBondContact NH1-O 3.32Å
35F98.1Very high95.9Very high6 Ų626.7 Ų26.73%0.02614%0.141CC..EExtended strand (participates in β ladder)trans-64.7151.2159.9-76.7-71.1000110.9C42 P56 S325 H327 L334 L343F35-C42 HydrophobicContact CD1-CB 4.37Å; F35-P56 HydrophobicContact CE1-CG 4.45Å; F35-S325 VanDerWaalsContact CD2-O 3.31Å; F35-S325 WeakPolarHBondContact CD2-O 3.41Å; F35-S325 VanDerWaalsContact CE2-O 3.26Å; F35-S325 WeakPolarHBondContact CE2-O 3.43Å; F35-S325 PolarHBondContact N-OG 2.92Å; F35-S325 VanDerWaalsContact N-OG 3.16Å; F35-H327 HydrophobicContact CD2-CB 4.14Å; F35-H327 AromaticContact CE1-CD2 3.74Å; F35-H327 HydrophobicContact CE2-CB 3.76Å; F35-H327 HydrophobicContact CZ-CB 4.06Å; F35-H327 AromaticContact CZ-CD2 3.89Å; F35-L334 HydrophobicContact CD2-CB 3.91Å; F35-L334 HydrophobicContact CE2-CB 3.42Å; F35-L334 VanDerWaalsContact CE2-CB 3.42Å; F35-L334 HydrophobicContact CZ-CB 3.81Å; F35-L343 HydrophobicContact CE1-CD1 4.16Å; F35-L343 HydrophobicContact CZ-CD1 3.55Å
36N96.9Very high96.1Very high9 Ų926.7 Ų26.75%0.04814%0.141CC..  trans-75.2177.2163.376.7-33.5000110.7D38 G39 N40 Y41 A77 N81N36-D38 VanDerWaalsContact C-N 3.28Å; N36-D38 PolarHBondContact ND2-OD1 2.95Å; N36-D38 PolarHBondContact O-N 3.1Å; N36-D38 PolarHBondContact OD1-OD1 2.69Å; N36-G39 PolarHBondContact O-N 2.78Å; N36-G39 VanDerWaalsContact O-N 3.1Å; N36-G39 WeakPolarHBondContact OD1-CA 3.27Å; N36-G39 PolarHBondContact OD1-N 3.03Å; N36-N40 PolarHBondContact OD1-N 2.91Å; N36-N40 VanDerWaalsContact OD1-N 3.1Å; N36-Y41 PolarHBondContact N-O 2.63Å; N36-Y41 PolarHBondContact OD1-N 3.12Å; N36-Y41 PolarHBondContact OD1-O 3.03Å; N36-A77 HydrophobicContact CB-CB 3.91Å; N36-N81 WeakPolarHBondContact CB-OD1 3.24Å; N36-N81 VanDerWaalsContact ND2-CG 3.33Å; N36-N81 PolarHBondContact ND2-ND2 3.25Å; N36-N81 PolarHBondContact ND2-OD1 3.07Å
37A94.1Very high96.5Very high40 Ų4023.4 Ų23.433%0.33113%0.129SC..THydrogen-bonded Turntrans-64.8-27.6-16800000114.6K79 N81A37-K79 WeakPolarHBondContact CB-O 3.21Å; A37-N81 WeakPolarHBondContact CB-OD1 3.45Å; A37-N81 PolarHBondContact N-OD1 3.01Å
38D93.8Very high96.7Very high45 Ų4526.1 Ų26.124%0.24114%0.144CC..THydrogen-bonded Turntrans-97.4-11.7176.465.53.7000113.5N36 N40 N81N36-D38 VanDerWaalsContact C-N 3.28Å; N36-D38 PolarHBondContact ND2-OD1 2.95Å; N36-D38 PolarHBondContact O-N 3.1Å; N36-D38 PolarHBondContact OD1-OD1 2.69Å; D38-N40 VanDerWaalsContact C-N 3.31Å; D38-N40 WeakPolarHBondContact OD1-CB 3.39Å; D38-N40 PolarHBondContact OD1-N 2.96Å; D38-N40 PolarHBondContact OD2-ND2 3.41Å; D38-N81 PolarHBondContact OD2-ND2 3.21Å
39G95.8Very high97Very high0 Ų027.1 Ų27.10%014%0.138CC..SBendtrans80.16.4-179.800000115N36 Y41 Y57 H327N36-G39 PolarHBondContact O-N 2.78Å; N36-G39 VanDerWaalsContact O-N 3.1Å; N36-G39 WeakPolarHBondContact OD1-CA 3.27Å; N36-G39 PolarHBondContact OD1-N 3.03Å; G39-Y41 VanDerWaalsContact C-N 3.33Å; G39-Y57 PolarHBondContact O-OH 2.74Å; G39-H327 VanDerWaalsContact CA-NE2 3.31Å; G39-H327 WeakPolarHBondContact CA-NE2 3.36Å; G39-H327 PolarHBondContact O-CD2 2.77Å; G39-H327 PolarHBondContact O-NE2 2.9Å; G39-H327 VanDerWaalsContact O-NE2 3.12Å
40N96.1Very high97.2Very high75 Ų7526.7 Ų26.740%0.40113%0.133SC..SBendtrans-76.6-22.2179.4-69.6-38.9000113.1N36 D38 Y57N36-N40 PolarHBondContact OD1-N 2.91Å; N36-N40 VanDerWaalsContact OD1-N 3.1Å; D38-N40 VanDerWaalsContact C-N 3.31Å; D38-N40 WeakPolarHBondContact OD1-CB 3.39Å; D38-N40 PolarHBondContact OD1-N 2.96Å; D38-N40 PolarHBondContact OD2-ND2 3.41Å; N40-Y57 WeakPolarHBondContact O-CE2 3.42Å
41Y97.3Very high97.4Very high93 Ų9326.8 Ų26.837%0.36513%0.134SC..  trans-133.4161-179.5-58.1-77.2000110.5N36 G39 W54 N55 L62N36-Y41 PolarHBondContact N-O 2.63Å; N36-Y41 PolarHBondContact OD1-N 3.12Å; N36-Y41 PolarHBondContact OD1-O 3.03Å; G39-Y41 VanDerWaalsContact C-N 3.33Å; Y41-W54 WeakPolarHBondContact CA-O 3.48Å; Y41-W54 WeakPolarHBondContact CB-O 3.4Å; Y41-N55 HydrophobicContact CD1-CB 4.11Å; Y41-N55 HydrophobicContact CE1-CB 4.16Å; Y41-L62 HydrophobicContact CD1-CD1 3.4Å; Y41-L62 VanDerWaalsContact CD1-CD1 3.4Å; Y41-L62 HydrophobicContact CE1-CD1 3.4Å; Y41-L62 VanDerWaalsContact CE1-CD1 3.4Å; Y41-L62 HydrophobicContact CG-CD1 4.49Å
42C97.6Very high97.4Very high0 Ų024.2 Ų24.20%013%0.125CC..EExtended strand (participates in β ladder)trans-132.4156.1171.669.50000112R34 F35 W54 L334R34-C42 CarbonylContact O-C 3.55Å; R34-C42 VanDerWaalsContact O-CA 3.24Å; R34-C42 WeakPolarHBondContact O-CA 3.4Å; R34-C42 WeakPolarHBondContact O-CB 2.88Å; F35-C42 HydrophobicContact CD1-CB 4.37Å; C42-W54 PolarHBondContact N-O 3.49Å; C42-W54 PolarHBondContact O-N 3.06Å; C42-L334 HydrophobicContact CB-CD2 3.56Å
43M98.3Very high97.5Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-121.5145.3179.6-57.1154.5-61.400109.6A33 R34 K52 L53 V75 A77 L84A33-M43 CarbonylContact C-O 3.53Å; A33-M43 VanDerWaalsContact CA-O 3.27Å; A33-M43 WeakPolarHBondContact CA-O 3.46Å; R34-M43 HydrophobicContact CB-CE 3.92Å; R34-M43 PolarHBondContact N-O 3.13Å; R34-M43 PolarHBondContact O-N 3.3Å; M43-K52 CarbonylContact C-O 3.41Å; M43-K52 WeakPolarHBondContact CA-O 3.26Å; M43-L53 HydrophobicContact CG-CD1 3.96Å; M43-V75 HydrophobicContact CB-CG1 3.79Å; M43-V75 HydrophobicContact CB-CG2 4.36Å; M43-V75 HydrophobicContact SD-CG2 4.14Å; M43-A77 HydrophobicContact CE-CB 3.79Å; M43-A77 HydrophobicContact SD-CB 3.89Å; M43-L84 HydrophobicContact CG-CD1 4.45Å; M43-L84 HydrophobicContact CG-CD2 4.45Å; M43-L84 HydrophobicContact SD-CD1 4.06Å; M43-L84 HydrophobicContact SD-CD2 3.26Å; M43-L84 WeakPolarHBondContact SD-CD2 3.43Å; M43-L84 HydrophobicContact SD-CG 4.22Å
44T98.4Very high97.4Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-126.9130.4175.353.70000110.5Q27 V30 A32 A33 I51 K52 W54 A341Q27-T44 PolarHBondContact NE2-O 2.86Å; Q27-T44 VanDerWaalsContact NE2-O 3.16Å; Q27-T44 PolarHBondContact OE1-OG1 3.04Å; V30-T44 HydrophobicContact CG1-CG2 4.23Å; A32-T44 CarbonylContact O-C 3.58Å; A32-T44 VanDerWaalsContact O-CA 3.31Å; A32-T44 WeakPolarHBondContact O-CA 3.43Å; A33-T44 HydrophobicContact CB-CG2 4.03Å; T44-I51 CarbonylContact O-C 3.51Å; T44-I51 VanDerWaalsContact O-CA 3.27Å; T44-I51 WeakPolarHBondContact O-CA 3.48Å; T44-K52 PolarHBondContact N-O 2.78Å; T44-K52 PolarHBondContact O-N 3.03Å; T44-W54 PolarHBondContact OG1-NE1 2.88Å; T44-A341 HydrophobicContact CG2-CB 4.29Å
45A98.4Very high97.3Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-98.8124.1176.400000109.9V30 R31 A32 V72 V75V30-A45 CarbonylContact C-O 3.59Å; V30-A45 WeakPolarHBondContact CA-O 3.34Å; R31-A45 PolarHBondContact N-O 3.39Å; A32-A45 HydrophobicContact CB-CB 4.21Å; A32-A45 PolarHBondContact O-N 2.93Å; A45-V72 HydrophobicContact CB-CB 3.9Å; A45-V72 HydrophobicContact CB-CG1 3.7Å; A45-V75 HydrophobicContact CB-CB 4.32Å; A45-V75 HydrophobicContact CB-CG1 3.91Å
46G97.6Very high96.9Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-110.6153.6-16800000116.1A29 D48 K49 T50 V72A29-G46 CarbonylContact O-C 3.56Å; G46-D48 PolarHBondContact O-N 2.79Å; G46-K49 PolarHBondContact O-N 3.12Å; G46-T50 PolarHBondContact N-O 2.92Å; G46-V72 PolarHBondContact O-N 3.03Å
47G97.7Very high96.5Very high14 Ų1427.6 Ų27.614%0.14414%0.14CC..THydrogen-bonded Turntrans-68.4-21.5166.200000112.9Q27 A29 K49Q27-G47 PolarHBondContact O-N 2.96Å; A29-G47 PolarHBondContact O-N 3.41Å; G47-K49 PolarHBondContact O-N 2.85Å; G47-K49 VanDerWaalsContact O-N 3.14Å
48D97.8Very high96.3Very high57 Ų5729 Ų2931%0.30514%0.142SC..THydrogen-bonded Turntrans-70.84.9169.678.2-23.1000114.2Q27 G46 T50Q27-D48 VanDerWaalsContact CA-CG 3.49Å; Q27-D48 PolarHBondContact O-N 3.28Å; G46-D48 PolarHBondContact O-N 2.79Å; D48-T50 VanDerWaalsContact C-N 3.26Å; D48-T50 PolarHBondContact O-N 2.86Å; D48-T50 WeakPolarHBondContact OD1-CB 3.41Å; D48-T50 PolarHBondContact OD1-N 2.91Å; D48-T50 PolarHBondContact OD1-OG1 2.86Å; D48-T50 WeakPolarHBondContact OD2-CG2 3.4Å; D48-T50 PolarHBondContact OD2-OG1 2.94Å
49K98.5Very high95.6Very high101 Ų10128.6 Ų28.644%0.43914%0.138SC..SBendtrans73.214.6178.4-40.8169.5178-174.50113.7G46 G47 G69 G70G46-K49 PolarHBondContact O-N 3.12Å; G47-K49 PolarHBondContact O-N 2.85Å; G47-K49 VanDerWaalsContact O-N 3.14Å; K49-G69 WeakPolarHBondContact CD-O 3.2Å; K49-G69 VanDerWaalsContact CE-O 3.29Å; K49-G69 WeakPolarHBondContact CE-O 3.35Å; K49-G69 PolarHBondContact NZ-O 3.08Å; K49-G69 VanDerWaalsContact NZ-O 3.1Å; K49-G70 WeakPolarHBondContact CB-O 3.33Å; K49-G70 WeakPolarHBondContact CG-O 3.44Å
50T98.5Very high95.4Very high18 Ų1836.6 Ų36.611%0.1117%0.169CC..EExtended strand (participates in β ladder)trans-109.6159.917975.70000112.4Q27 G46 D48 T64 Y65Q27-T50 PolarHBondContact NE2-O 2.78Å; Q27-T50 PolarHBondContact NE2-OG1 2.77Å; G46-T50 PolarHBondContact N-O 2.92Å; D48-T50 VanDerWaalsContact C-N 3.26Å; D48-T50 PolarHBondContact O-N 2.86Å; D48-T50 WeakPolarHBondContact OD1-CB 3.41Å; D48-T50 PolarHBondContact OD1-N 2.91Å; D48-T50 PolarHBondContact OD1-OG1 2.86Å; D48-T50 WeakPolarHBondContact OD2-CG2 3.4Å; D48-T50 PolarHBondContact OD2-OG1 2.94Å; T50-T64 HydrophobicContact CG2-CG2 4Å; T50-Y65 WeakPolarHBondContact CA-O 3.34Å
51I98.7Very high95.4Very high1 Ų136.4 Ų36.41%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-109.9139.8160.3-61.2153.6000106.7T44 T64 Y65 V72 V75 L84 S86 W96T44-I51 CarbonylContact O-C 3.51Å; T44-I51 VanDerWaalsContact O-CA 3.27Å; T44-I51 WeakPolarHBondContact O-CA 3.48Å; I51-T64 CarbonylContact O-C 3.44Å; I51-T64 WeakPolarHBondContact O-CA 3.27Å; I51-Y65 HydrophobicContact CB-CD2 4.05Å; I51-Y65 HydrophobicContact CB-CG 4.5Å; I51-Y65 HydrophobicContact CG2-CD2 3.92Å; I51-Y65 HydrophobicContact CG2-CE2 4.5Å; I51-Y65 PolarHBondContact N-O 2.68Å; I51-Y65 PolarHBondContact O-N 2.83Å; I51-V72 HydrophobicContact CD1-CG1 4.25Å; I51-V72 HydrophobicContact CG1-CB 4.47Å; I51-V72 HydrophobicContact CG1-CG1 3.86Å; I51-V72 HydrophobicContact CG1-CG2 4.28Å; I51-V75 HydrophobicContact CD1-CG2 4.08Å; I51-V75 HydrophobicContact CG1-CB 4.42Å; I51-V75 HydrophobicContact CG1-CG2 4.28Å; I51-V75 HydrophobicContact CG2-CB 4.42Å; I51-V75 HydrophobicContact CG2-CG1 4.41Å; I51-V75 HydrophobicContact CG2-CG2 3.82Å; I51-L84 HydrophobicContact CG2-CD1 4.38Å; I51-S86 WeakPolarHBondContact CD1-OG 3.19Å; I51-W96 HydrophobicContact CD1-CZ2 4.19Å
52K98.4Very high95.3Very high21 Ų2135.2 Ų35.29%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-120.3139.7171.9-69.9-177.2-175.3-177.30110.4C25 H26 Q27 M43 T44 W54 L61 K63 T64C25-K52 WeakPolarHBondContact O-CD 3.45Å; C25-K52 PolarHBondContact O-NZ 2.81Å; H26-K52 PolarHBondContact O-NZ 3.01Å; Q27-K52 HydrophobicContact CG-CD 3.7Å; Q27-K52 HydrophobicContact CG-CG 4.23Å; M43-K52 CarbonylContact C-O 3.41Å; M43-K52 WeakPolarHBondContact CA-O 3.26Å; T44-K52 PolarHBondContact N-O 2.78Å; T44-K52 PolarHBondContact O-N 3.03Å; K52-W54 HydrophobicContact CB-CZ2 3.73Å; K52-W54 VanDerWaalsContact CB-NE1 3.32Å; K52-W54 HydrophobicContact CD-CH2 4.1Å; K52-W54 HydrophobicContact CD-CZ2 3.47Å; K52-W54 VanDerWaalsContact CD-CZ2 3.47Å; K52-W54 HydrophobicContact CG-CZ2 4.22Å; K52-L61 HydrophobicContact CB-CD1 3.72Å; K52-L61 HydrophobicContact CD-CD1 3.98Å; K52-L61 HydrophobicContact CD-CD2 4.42Å; K52-L61 HydrophobicContact CG-CD1 3.96Å; K52-K63 WeakPolarHBondContact CA-O 3.31Å; K52-T64 HydrophobicContact CG-CG2 4.11Å
53L98.3Very high95.3Very high18 Ų1838.5 Ų38.59%0.09418%0.181CC..EExtended strand (participates in β ladder)trans-108.1129.2174.3173.870.9000108.9M43 L62 K63 Y65 V98M43-L53 HydrophobicContact CG-CD1 3.96Å; L53-L62 HydrophobicContact CD2-CB 4.28Å; L53-L62 HydrophobicContact CD2-CD1 4.31Å; L53-L62 HydrophobicContact CG-CB 4.26Å; L53-L62 HydrophobicContact CG-CD1 4.21Å; L53-L62 WeakPolarHBondContact O-CB 3.45Å; L53-L62 PolarHBondContact O-N 3.46Å; L53-K63 HydrophobicContact CB-CB 4.42Å; L53-K63 PolarHBondContact N-O 2.99Å; L53-K63 PolarHBondContact O-N 3.04Å; L53-Y65 HydrophobicContact CB-CE2 3.83Å; L53-V98 HydrophobicContact CD2-CG1 4.11Å
54W97.5Very high95.3Very high16 Ų1641.6 Ų41.66%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-126.1148.3-174.1-49.387.2000110.6I23 C25 Y41 C42 T44 K52 P56 R60 L61I23-W54 HydrophobicContact CG2-CD2 4.21Å; I23-W54 HydrophobicContact CG2-CE3 3.95Å; I23-W54 HydrophobicContact CG2-CH2 3.99Å; I23-W54 HydrophobicContact CG2-CZ2 4.24Å; I23-W54 HydrophobicContact CG2-CZ3 3.83Å; C25-W54 HydrophobicContact CB-CZ2 4.28Å; Y41-W54 WeakPolarHBondContact CA-O 3.48Å; Y41-W54 WeakPolarHBondContact CB-O 3.4Å; C42-W54 PolarHBondContact N-O 3.49Å; C42-W54 PolarHBondContact O-N 3.06Å; T44-W54 PolarHBondContact OG1-NE1 2.88Å; K52-W54 HydrophobicContact CB-CZ2 3.73Å; K52-W54 VanDerWaalsContact CB-NE1 3.32Å; K52-W54 HydrophobicContact CD-CH2 4.1Å; K52-W54 HydrophobicContact CD-CZ2 3.47Å; K52-W54 VanDerWaalsContact CD-CZ2 3.47Å; K52-W54 HydrophobicContact CG-CZ2 4.22Å; W54-P56 WeakPolarHBondContact O-CD 3.44Å; W54-R60 WeakPolarHBondContact CA-O 3.31Å; W54-L61 HydrophobicContact CD2-CD1 3.92Å; W54-L61 HydrophobicContact CE3-CB 3.74Å; W54-L61 HydrophobicContact CE3-CD1 3.93Å; W54-L61 HydrophobicContact CE3-CG 4.43Å; W54-L61 HydrophobicContact CH2-CB 4.21Å; W54-L61 HydrophobicContact CH2-CD1 3.92Å; W54-L61 HydrophobicContact CH2-CD2 4.46Å; W54-L61 HydrophobicContact CH2-CG 4.42Å; W54-L61 HydrophobicContact CZ2-CD1 3.91Å; W54-L61 HydrophobicContact CZ3-CB 3.54Å; W54-L61 HydrophobicContact CZ3-CD1 3.94Å; W54-L61 HydrophobicContact CZ3-CG 4.2Å
55N94.9Very high95.3Very high27 Ų2741.6 Ų41.614%0.14420%0.2CC..EExtended strand (participates in β ladder)trans-89.5110.4153.1179-33.4000107.4Y41 Y57 N58 F59 R60 L62Y41-N55 HydrophobicContact CD1-CB 4.11Å; Y41-N55 HydrophobicContact CE1-CB 4.16Å; N55-Y57 PolarHBondContact O-N 2.78Å; N55-Y57 WeakPolarHBondContact OD1-CB 3.31Å; N55-Y57 PolarHBondContact OD1-N 3.31Å; N55-N58 WeakPolarHBondContact CB-OD1 3.47Å; N55-N58 PolarHBondContact ND2-ND2 3.18Å; N55-N58 PolarHBondContact ND2-OD1 3.42Å; N55-N58 PolarHBondContact OD1-N 3.27Å; N55-N58 PolarHBondContact OD1-OD1 2.95Å; N55-F59 WeakPolarHBondContact O-CA 3.39Å; N55-F59 PolarHBondContact O-N 3.34Å; N55-R60 PolarHBondContact N-O 3.41Å; N55-R60 PolarHBondContact O-N 3.19Å; N55-L62 HydrophobicContact CB-CD1 4.2Å; N55-L62 HydrophobicContact CB-CG 4.47Å
56P90.4Very high95.3Very high1 Ų145.2 Ų45.21%0.00623%0.23CC..THydrogen-bonded Turntrans-75.5-12.2-174.631.3-35.5000113.4F35 W54 F59 L343F35-P56 HydrophobicContact CE1-CG 4.45Å; W54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-F59 WeakPolarHBondContact O-CD1 3.39Å; P56-F59 WeakPolarHBondContact O-CE1 3.49Å; P56-L343 HydrophobicContact CB-CD2 4.17Å
57Y89.3Confident95.3Very high53 Ų5346.6 Ų46.621%0.20824%0.244CC..THydrogen-bonded Turntrans-92.6-29.4-174.4-54.7-71.9000113.6Y20 G39 N40 N55 H327 K332 L343Y20-Y57 PolarHBondContact OH-O 3.4Å; G39-Y57 PolarHBondContact O-OH 2.74Å; N40-Y57 WeakPolarHBondContact O-CE2 3.42Å; N55-Y57 PolarHBondContact O-N 2.78Å; N55-Y57 WeakPolarHBondContact OD1-CB 3.31Å; N55-Y57 PolarHBondContact OD1-N 3.31Å; Y57-H327 PolarHBondContact OH-CD2 2.94Å; Y57-H327 PolarHBondContact OH-NE2 3.11Å; Y57-K332 HydrophobicContact CE1-CD 3.86Å; Y57-L343 HydrophobicContact CD1-CD2 3.98Å; Y57-L343 HydrophobicContact CE1-CD2 3.88Å
58N88.2Confident95.3Very high70 Ų7046.6 Ų46.637%0.37424%0.24SC..THydrogen-bonded Turntrans-116.49.5172.570.211000112.9N55 R60 H301N55-N58 WeakPolarHBondContact CB-OD1 3.47Å; N55-N58 PolarHBondContact ND2-ND2 3.18Å; N55-N58 PolarHBondContact ND2-OD1 3.42Å; N55-N58 PolarHBondContact OD1-N 3.27Å; N55-N58 PolarHBondContact OD1-OD1 2.95Å; N58-R60 VanDerWaalsContact C-N 3.28Å; N58-R60 PolarHBondContact O-N 3.5Å; N58-R60 WeakPolarHBondContact OD1-CB 3.42Å; N58-R60 PolarHBondContact OD1-N 3.16Å; N58-H301 PolarHBondContact O-CD2 2.94Å; N58-H301 VanDerWaalsContact O-CD2 3.28Å
59F80.9Confident95.3Very high36 Ų3646.3 Ų46.316%0.15825%0.251CS..THydrogen-bonded Turntrans63.427.9168.3-37.2-62.5000115.3Y20 C21 N55 P56 S299 P300Y20-F59 HydrophobicContact CD1-CE1 4.23Å; Y20-F59 HydrophobicContact CD1-CZ 4.44Å; Y20-F59 AromaticContact CE1-CE1 3.82Å; Y20-F59 HydrophobicContact CE1-CE1 3.82Å; Y20-F59 AromaticContact CE1-CZ 3.76Å; Y20-F59 HydrophobicContact CE1-CZ 3.76Å; C21-F59 HydrophobicContact CB-CD1 3.91Å; C21-F59 HydrophobicContact CB-CE1 3.25Å; C21-F59 HydrophobicContact CB-CZ 4.05Å; C21-F59 WeakPolarHBondContact SG-CD1 3.49Å; C21-F59 WeakPolarHBondContact SG-CE1 3.44Å; N55-F59 WeakPolarHBondContact O-CA 3.39Å; N55-F59 PolarHBondContact O-N 3.34Å; P56-F59 WeakPolarHBondContact O-CD1 3.39Å; P56-F59 WeakPolarHBondContact O-CE1 3.49Å; F59-S299 WeakPolarHBondContact CB-OG 3.38Å; F59-S299 WeakPolarHBondContact CD2-OG 3.43Å; F59-S299 VanDerWaalsContact CG-CB 3.46Å; F59-S299 WeakPolarHBondContact CG-OG 3.37Å; F59-P300 HydrophobicContact CD2-CG 3.92Å; F59-P300 HydrophobicContact CE2-CG 3.71Å
60R90.4Very high95.3Very high168 Ų16842.1 Ų42.163%0.63424%0.236SC*.EExtended strand (participates in β ladder)trans-98.1126.1-176.5-172.3175.2173.8175-0.5111.4W54 N55 N58 L62W54-R60 WeakPolarHBondContact CA-O 3.31Å; N55-R60 PolarHBondContact N-O 3.41Å; N55-R60 PolarHBondContact O-N 3.19Å; N58-R60 VanDerWaalsContact C-N 3.28Å; N58-R60 PolarHBondContact O-N 3.5Å; N58-R60 WeakPolarHBondContact OD1-CB 3.42Å; N58-R60 PolarHBondContact OD1-N 3.16Å; R60-L62 HydrophobicContact CB-CD2 4.41Å; R60-L62 HydrophobicContact CG-CD2 4.13Å; R60-L62 PolarHBondContact O-N 2.82Å
61L95.4Very high95.3Very high70 Ų7044 Ų4437%0.36624%0.244SC..EExtended strand (participates in β ladder)trans-66.6118.7161.6-179.159.8000108.8K52 W54K52-L61 HydrophobicContact CB-CD1 3.72Å; K52-L61 HydrophobicContact CD-CD1 3.98Å; K52-L61 HydrophobicContact CD-CD2 4.42Å; K52-L61 HydrophobicContact CG-CD1 3.96Å; W54-L61 HydrophobicContact CD2-CD1 3.92Å; W54-L61 HydrophobicContact CE3-CB 3.74Å; W54-L61 HydrophobicContact CE3-CD1 3.93Å; W54-L61 HydrophobicContact CE3-CG 4.43Å; W54-L61 HydrophobicContact CH2-CB 4.21Å; W54-L61 HydrophobicContact CH2-CD1 3.92Å; W54-L61 HydrophobicContact CH2-CD2 4.46Å; W54-L61 HydrophobicContact CH2-CG 4.42Å; W54-L61 HydrophobicContact CZ2-CD1 3.91Å; W54-L61 HydrophobicContact CZ3-CB 3.54Å; W54-L61 HydrophobicContact CZ3-CD1 3.94Å; W54-L61 HydrophobicContact CZ3-CG 4.2Å
62L96.3Very high95.3Very high68 Ų6844 Ų4436%0.35624%0.244SC..EExtended strand (participates in β ladder)trans-93.2-40.4-179.4-58.8177.7000111.5Y41 L53 N55 R60Y41-L62 HydrophobicContact CD1-CD1 3.4Å; Y41-L62 VanDerWaalsContact CD1-CD1 3.4Å; Y41-L62 HydrophobicContact CE1-CD1 3.4Å; Y41-L62 VanDerWaalsContact CE1-CD1 3.4Å; Y41-L62 HydrophobicContact CG-CD1 4.49Å; L53-L62 HydrophobicContact CD2-CB 4.28Å; L53-L62 HydrophobicContact CD2-CD1 4.31Å; L53-L62 HydrophobicContact CG-CB 4.26Å; L53-L62 HydrophobicContact CG-CD1 4.21Å; L53-L62 WeakPolarHBondContact O-CB 3.45Å; L53-L62 PolarHBondContact O-N 3.46Å; N55-L62 HydrophobicContact CB-CD1 4.2Å; N55-L62 HydrophobicContact CB-CG 4.47Å; R60-L62 HydrophobicContact CB-CD2 4.41Å; R60-L62 HydrophobicContact CG-CD2 4.13Å; R60-L62 PolarHBondContact O-N 2.82Å
63K97.6Very high95.3Very high69 Ų6943.5 Ų43.530%0.324%0.243SC..EExtended strand (participates in β ladder)trans-160148.5-176-162159.4-71.5-116.80112K52 L53 Y65 S99K52-K63 WeakPolarHBondContact CA-O 3.31Å; L53-K63 HydrophobicContact CB-CB 4.42Å; L53-K63 PolarHBondContact N-O 2.99Å; L53-K63 PolarHBondContact O-N 3.04Å; K63-Y65 HydrophobicContact CB-CE2 4.08Å; K63-Y65 HydrophobicContact CD-CE1 3.96Å; K63-Y65 HydrophobicContact CG-CE1 4.32Å; K63-Y65 HydrophobicContact CG-CE2 4.2Å; K63-S99 WeakPolarHBondContact CE-O 3.45Å; K63-S99 PolarHBondContact NZ-O 3.4Å
64T98.2Very high95.3Very high65 Ų6542.8 Ų42.840%0.39924%0.239SC..EExtended strand (participates in β ladder)trans-116.3128.5168.6-55.70000108.3T50 I51 K52T50-T64 HydrophobicContact CG2-CG2 4Å; I51-T64 CarbonylContact O-C 3.44Å; I51-T64 WeakPolarHBondContact O-CA 3.27Å; K52-T64 HydrophobicContact CG-CG2 4.11Å
65Y98.5Very high95.4Very high1 Ų142 Ų420%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-105118.5176-48.2-102.9000108.2T50 I51 L53 K63 L84 W96 V98T50-Y65 WeakPolarHBondContact CA-O 3.34Å; I51-Y65 HydrophobicContact CB-CD2 4.05Å; I51-Y65 HydrophobicContact CB-CG 4.5Å; I51-Y65 HydrophobicContact CG2-CD2 3.92Å; I51-Y65 HydrophobicContact CG2-CE2 4.5Å; I51-Y65 PolarHBondContact N-O 2.68Å; I51-Y65 PolarHBondContact O-N 2.83Å; L53-Y65 HydrophobicContact CB-CE2 3.83Å; K63-Y65 HydrophobicContact CB-CE2 4.08Å; K63-Y65 HydrophobicContact CD-CE1 3.96Å; K63-Y65 HydrophobicContact CG-CE1 4.32Å; K63-Y65 HydrophobicContact CG-CE2 4.2Å; Y65-L84 HydrophobicContact CD2-CD1 4.22Å; Y65-L84 HydrophobicContact CE1-CD1 4.15Å; Y65-L84 HydrophobicContact CE2-CD1 3.74Å; Y65-W96 HydrophobicContact CD1-CB 4.28Å; Y65-W96 HydrophobicContact CD1-CD2 4.48Å; Y65-W96 HydrophobicContact CD1-CE3 4.29Å; Y65-V98 PolarHBondContact OH-O 2.77Å; Y65-V98 VanDerWaalsContact OH-O 3.07Å
66A97.8Very high95.5Very high76 Ų7642.8 Ų42.863%0.62824%0.239SC*.EExtended strand (participates in β ladder)trans-115.2137.8178.500000109.5
67G97.1Very high95.8Very high29 Ų2943 Ų4330%0.29924%0.241SC..  trans161.2-10.6176.300000115.1R106G67-R106 VanDerWaalsContact O-CZ 3.29Å; G67-R106 PolarHBondContact O-NH1 3.48Å; G67-R106 PolarHBondContact O-NH2 3.14Å
68H98.5Very high96Very high13 Ų1340.6 Ų40.66%0.0623%0.232CC..  trans-72.3143.5164.2-81-78.6000110.7G70 V72 S86 D90 L92 W96H68-G70 WeakPolarHBondContact CB-O 3.31Å; H68-V72 HydrophobicContact CB-CG2 4Å; H68-S86 PolarHBondContact NE2-OG 2.74Å; H68-D90 VanDerWaalsContact CA-OD2 3.23Å; H68-D90 WeakPolarHBondContact CA-OD2 3.46Å; H68-D90 WeakPolarHBondContact CB-OD2 3.35Å; H68-D90 IonicContact CE1-OD1 3.48Å; H68-D90 IonicContact CG-OD1 3.07Å; H68-D90 IonicContact CG-OD2 3.75Å; H68-D90 IonicContact ND1-OD1 3.35Å; H68-D90 PolarHBondContact ND1-OD1 2.87Å; H68-D90 IonicContact ND1-OD2 3.22Å; H68-D90 PolarHBondContact ND1-OD2 3.48Å; H68-D90 VanDerWaalsContact ND1-OD2 3.07Å; H68-L92 PolarHBondContact CE1-O 2.92Å; H68-W96 AromaticContact CD2-CZ2 3.91Å
69G98.1Very high96.1Very high51 Ų5140.8 Ų40.853%0.52623%0.23SC..SBendtrans-86.2-15.4174.900000113.8K49 D90K49-G69 WeakPolarHBondContact CD-O 3.2Å; K49-G69 VanDerWaalsContact CE-O 3.29Å; K49-G69 WeakPolarHBondContact CE-O 3.35Å; K49-G69 PolarHBondContact NZ-O 3.08Å; K49-G69 VanDerWaalsContact NZ-O 3.1Å; G69-D90 PolarHBondContact N-OD2 3.18Å
70G98.2Very high96.5Very high13 Ų1341 Ų4113%0.13423%0.233CC..SBendtrans-136.3179.5-179.400000111.3K49 H68 V72K49-G70 WeakPolarHBondContact CB-O 3.33Å; K49-G70 WeakPolarHBondContact CG-O 3.44Å; H68-G70 WeakPolarHBondContact CB-O 3.31Å; G70-V72 PolarHBondContact O-N 3.33Å
71E98.2Very high96.7Very high58 Ų5834.8 Ų34.827%0.27121%0.212SC..  trans-53.2135.2-179.4-55-174.1169.700111.4R31 G88 A89 R113R31-E71 IonicContact CZ-OE2 2.94Å; R31-E71 IonicContact NE-OE2 3.64Å; R31-E71 PolarHBondContact NE-OE2 3.43Å; R31-E71 VanDerWaalsContact NH2-CD 3.29Å; R31-E71 IonicContact NH2-OE1 2.92Å; R31-E71 PolarHBondContact NH2-OE1 3.11Å; R31-E71 IonicContact NH2-OE2 3.88Å; R31-E71 PolarHBondContact NH2-OE2 3.29Å; E71-G88 CarbonylContact O-C 3.57Å; E71-G88 WeakPolarHBondContact O-CA 3.37Å; E71-A89 HydrophobicContact CB-CB 4.3Å; E71-A89 PolarHBondContact O-N 2.99Å; E71-R113 IonicContact OE2-NH1 3.02Å; E71-R113 IonicContact OE2-NH2 4Å
72V98.8Very high96.6Very high0 Ų033.9 Ų33.90%021%0.211CC..EExtended strand (participates in β ladder)trans-81.5122.9173.2-167.60000107.3R31 A45 G46 I51 H68 G70R31-V72 VanDerWaalsContact CB-O 3.23Å; R31-V72 WeakPolarHBondContact CB-O 3.45Å; R31-V72 VanDerWaalsContact CG-O 3.27Å; R31-V72 WeakPolarHBondContact CG-O 3.23Å; A45-V72 HydrophobicContact CB-CB 3.9Å; A45-V72 HydrophobicContact CB-CG1 3.7Å; G46-V72 PolarHBondContact O-N 3.03Å; I51-V72 HydrophobicContact CD1-CG1 4.25Å; I51-V72 HydrophobicContact CG1-CB 4.47Å; I51-V72 HydrophobicContact CG1-CG1 3.86Å; I51-V72 HydrophobicContact CG1-CG2 4.28Å; H68-V72 HydrophobicContact CB-CG2 4Å; G70-V72 PolarHBondContact O-N 3.33Å
73S98.5Very high96.6Very high11 Ų1132.3 Ų32.38%0.07720%0.202CC..EExtended strand (participates in β ladder)trans-92.4-34.9-172.7-53.50000112.2G87 R113 V114S73-G87 PolarHBondContact N-O 3.12Å; S73-R113 VanDerWaalsContact OG-CZ 3.24Å; S73-R113 PolarHBondContact OG-NE 3.16Å; S73-R113 PolarHBondContact OG-NH2 3.39Å; S73-V114 WeakPolarHBondContact CB-O 3.21Å; S73-V114 PolarHBondContact OG-O 2.83Å
74D98.5Very high96.6Very high4 Ų429.1 Ų29.12%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-153.9154.8179.8-159.216000110.3A32 R34 S86 G87 S116 V117A32-D74 WeakPolarHBondContact CB-OD1 3.14Å; R34-D74 IonicContact CZ-OD1 2.8Å; R34-D74 IonicContact NE-OD1 3.18Å; R34-D74 PolarHBondContact NE-OD1 3.15Å; R34-D74 IonicContact NH2-OD1 2.76Å; R34-D74 PolarHBondContact NH2-OD1 3.05Å; D74-S86 WeakPolarHBondContact O-CA 3.36Å; D74-G87 PolarHBondContact N-O 2.8Å; D74-G87 PolarHBondContact O-N 3.42Å; D74-G87 VanDerWaalsContact O-N 3.08Å; D74-S116 WeakPolarHBondContact OD2-CA 3.37Å; D74-S116 WeakPolarHBondContact OD2-CB 3.36Å; D74-S116 PolarHBondContact OD2-OG 3.1Å; D74-V117 HydrophobicContact CB-CG2 4.23Å; D74-V117 PolarHBondContact OD2-N 3.21Å; D74-V117 VanDerWaalsContact OD2-N 3.09Å
75V98.6Very high96.6Very high0 Ų026 Ų260%017%0.17CC..EExtended strand (participates in β ladder)trans-147.8137.1177.561.80000109.5R34 M43 A45 I51 L84 G85R34-V75 WeakPolarHBondContact CG-O 3.46Å; M43-V75 HydrophobicContact CB-CG1 3.79Å; M43-V75 HydrophobicContact CB-CG2 4.36Å; M43-V75 HydrophobicContact SD-CG2 4.14Å; A45-V75 HydrophobicContact CB-CB 4.32Å; A45-V75 HydrophobicContact CB-CG1 3.91Å; I51-V75 HydrophobicContact CD1-CG2 4.08Å; I51-V75 HydrophobicContact CG1-CB 4.42Å; I51-V75 HydrophobicContact CG1-CG2 4.28Å; I51-V75 HydrophobicContact CG2-CB 4.42Å; I51-V75 HydrophobicContact CG2-CG1 4.41Å; I51-V75 HydrophobicContact CG2-CG2 3.82Å; V75-L84 HydrophobicContact CG2-CB 4.45Å; V75-G85 CarbonylContact C-O 3.5Å; V75-G85 WeakPolarHBondContact CA-O 3.26Å
76Q97.8Very high96.6Very high42 Ų4226 Ų2620%0.19617%0.169CC..EExtended strand (participates in β ladder)trans-138.2143.6177.9-168.759.248.600110.2L84 G85 V117 L118 F119Q76-L84 WeakPolarHBondContact O-CA 3.48Å; Q76-G85 PolarHBondContact N-O 2.8Å; Q76-G85 PolarHBondContact O-N 2.9Å; Q76-V117 HydrophobicContact CB-CG2 4.34Å; Q76-L118 HydrophobicContact CG-CD1 4.45Å; Q76-F119 HydrophobicContact CG-CD2 4.46Å; Q76-F119 WeakPolarHBondContact O-CE2 3.48Å
77A96.3Very high96.6Very high6 Ų622.4 Ų22.45%0.0514%0.139CC..EExtended strand (participates in β ladder)trans-86146.5171.800000110.9N36 M43 L84 F119N36-A77 HydrophobicContact CB-CB 3.91Å; M43-A77 HydrophobicContact CE-CB 3.79Å; M43-A77 HydrophobicContact SD-CB 3.89Å; A77-L84 HydrophobicContact CB-CD2 3.87Å; A77-F119 VanDerWaalsContact C-CD2 3.48Å; A77-F119 WeakPolarHBondContact O-CD2 3.45Å
78G93.4Very high96.7Very high2 Ų221 Ų212%0.02113%0.125CC..  trans-65.8162.5165.800000111.7D80 N81 Q83G78-D80 VanDerWaalsContact C-N 3.25Å; G78-D80 PolarHBondContact O-N 2.98Å; G78-N81 PolarHBondContact O-N 3.07Å; G78-Q83 PolarHBondContact N-O 3Å
79K90.4Very high96.7Very high74 Ų7422.4 Ų22.432%0.32214%0.139SC..THydrogen-bonded Turntrans-62.4-31.9-176.5-171.5-176.6178.4-164.30113.4A37 N81 S126 S128A37-K79 WeakPolarHBondContact CB-O 3.21Å; K79-N81 VanDerWaalsContact C-N 3.28Å; K79-S126 PolarHBondContact NZ-O 3.48Å; K79-S128 PolarHBondContact NZ-O 3.25Å
80D90.2Very high96.7Very high41 Ų4121.7 Ų21.722%0.21912%0.123CC..THydrogen-bonded Turntrans-84.3-0.9176.762.4-3.4000113.3G78 S82 P131G78-D80 VanDerWaalsContact C-N 3.25Å; G78-D80 PolarHBondContact O-N 2.98Å; D80-S82 VanDerWaalsContact CG-OG 3.3Å; D80-S82 PolarHBondContact O-N 2.88Å; D80-S82 VanDerWaalsContact O-N 3.09Å; D80-S82 PolarHBondContact OD1-N 2.85Å; D80-S82 VanDerWaalsContact OD1-N 3.11Å; D80-S82 PolarHBondContact OD1-OG 3.16Å; D80-S82 PolarHBondContact OD2-OG 2.81Å; D80-P131 WeakPolarHBondContact OD2-CA 3.26Å; D80-P131 VanDerWaalsContact OD2-CB 3.27Å; D80-P131 WeakPolarHBondContact OD2-CB 3.26Å
81N93.8Very high96.7Very high38 Ų3822.9 Ų22.920%0.20313%0.129CC..SBendtrans56.616.2-175.5-60.6-49.1000114.8N36 A37 D38 G78 K79 V98N36-N81 WeakPolarHBondContact CB-OD1 3.24Å; N36-N81 VanDerWaalsContact ND2-CG 3.33Å; N36-N81 PolarHBondContact ND2-ND2 3.25Å; N36-N81 PolarHBondContact ND2-OD1 3.07Å; A37-N81 WeakPolarHBondContact CB-OD1 3.45Å; A37-N81 PolarHBondContact N-OD1 3.01Å; D38-N81 PolarHBondContact OD2-ND2 3.21Å; G78-N81 PolarHBondContact O-N 3.07Å; K79-N81 VanDerWaalsContact C-N 3.28Å; N81-V98 WeakPolarHBondContact O-CG2 3.31Å
82S93.8Very high96.7Very high50 Ų5020.7 Ų20.735%0.3512%0.119SC..SBendtrans-92.7-20-179.280.80000112.9D80 V98D80-S82 VanDerWaalsContact CG-OG 3.3Å; D80-S82 PolarHBondContact O-N 2.88Å; D80-S82 VanDerWaalsContact O-N 3.09Å; D80-S82 PolarHBondContact OD1-N 2.85Å; D80-S82 VanDerWaalsContact OD1-N 3.11Å; D80-S82 PolarHBondContact OD1-OG 3.16Å; D80-S82 PolarHBondContact OD2-OG 2.81Å; S82-V98 VanDerWaalsContact C-CG2 3.46Å; S82-V98 WeakPolarHBondContact O-CB 3.26Å; S82-V98 WeakPolarHBondContact O-CG2 3.41Å; S82-V98 PolarHBondContact O-N 2.94Å
83Q95.5Very high96.7Very high35 Ų3520.7 Ų20.716%0.16412%0.119CC..EExtended strand (participates in β ladder)trans-126.1147.6-178.6-64.1-178.9-700112.2G78 L95 W96 I104 F119G78-Q83 PolarHBondContact N-O 3Å; Q83-L95 HydrophobicContact CB-CD1 4.19Å; Q83-W96 VanDerWaalsContact CA-O 3.23Å; Q83-W96 WeakPolarHBondContact CA-O 3.35Å; Q83-I104 HydrophobicContact CG-CD1 4.1Å; Q83-F119 HydrophobicContact CB-CZ 4.25Å
84L97.7Very high96.7Very high3 Ų320.2 Ų20.22%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-114.4142.8167.3-49.8-176.1000109.8M43 I51 Y65 V75 Q76 A77 L95 W96 V98M43-L84 HydrophobicContact CG-CD1 4.45Å; M43-L84 HydrophobicContact CG-CD2 4.45Å; M43-L84 HydrophobicContact SD-CD1 4.06Å; M43-L84 HydrophobicContact SD-CD2 3.26Å; M43-L84 WeakPolarHBondContact SD-CD2 3.43Å; M43-L84 HydrophobicContact SD-CG 4.22Å; I51-L84 HydrophobicContact CG2-CD1 4.38Å; Y65-L84 HydrophobicContact CD2-CD1 4.22Å; Y65-L84 HydrophobicContact CE1-CD1 4.15Å; Y65-L84 HydrophobicContact CE2-CD1 3.74Å; V75-L84 HydrophobicContact CG2-CB 4.45Å; Q76-L84 WeakPolarHBondContact O-CA 3.48Å; A77-L84 HydrophobicContact CB-CD2 3.87Å; L84-L95 CarbonylContact O-C 3.58Å; L84-L95 WeakPolarHBondContact O-CA 3.15Å; L84-W96 HydrophobicContact CB-CB 4.14Å; L84-W96 HydrophobicContact CB-CG 4.41Å; L84-W96 PolarHBondContact N-O 2.55Å; L84-W96 PolarHBondContact O-N 2.86Å; L84-V98 HydrophobicContact CD1-CG2 4.34Å; L84-V98 HydrophobicContact CD2-CG2 3.49Å; L84-V98 VanDerWaalsContact CD2-CG2 3.49Å; L84-V98 HydrophobicContact CG-CG2 3.53Å
85G98.1Very high96.7Very high0 Ų020 Ų200%012%0.115CC..EExtended strand (participates in β ladder)trans-110.2139.1166.100000108.5V75 Q76 I94 V117 F119V75-G85 CarbonylContact C-O 3.5Å; V75-G85 WeakPolarHBondContact CA-O 3.26Å; Q76-G85 PolarHBondContact N-O 2.8Å; Q76-G85 PolarHBondContact O-N 2.9Å; G85-I94 CarbonylContact C-O 3.36Å; G85-I94 WeakPolarHBondContact CA-O 3.34Å; G85-V117 WeakPolarHBondContact O-CG2 3.38Å; G85-F119 VanDerWaalsContact N-CE2 3.31Å
86S98.7Very high96.7Very high0 Ų020.1 Ų20.10%012%0.115CC..EExtended strand (participates in β ladder)trans-140.2151.5175.764.50000112.4I51 H68 D74 V93 I94 W96I51-S86 WeakPolarHBondContact CD1-OG 3.19Å; H68-S86 PolarHBondContact NE2-OG 2.74Å; D74-S86 WeakPolarHBondContact O-CA 3.36Å; S86-V93 CarbonylContact O-C 3.6Å; S86-V93 VanDerWaalsContact O-CA 3.26Å; S86-V93 WeakPolarHBondContact O-CA 3.45Å; S86-I94 PolarHBondContact N-O 2.81Å; S86-I94 PolarHBondContact O-N 3.28Å; S86-W96 PolarHBondContact OG-NE1 3.16Å
87G98.7Very high96.6Very high0 Ų020.1 Ų20.10%012%0.116CC..EExtended strand (participates in β ladder)trans-127142176.800000111.1S73 D74 L92S73-G87 PolarHBondContact N-O 3.12Å; D74-G87 PolarHBondContact N-O 2.8Å; D74-G87 PolarHBondContact O-N 3.42Å; D74-G87 VanDerWaalsContact O-N 3.08Å; G87-L92 WeakPolarHBondContact CA-O 3.27Å
88G98.4Very high96.7Very high0 Ų021.2 Ų21.20%012%0.122CC..EExtended strand (participates in β ladder)trans-136.1171.3-175.100000116E71 D90 C91 L92 V114E71-G88 CarbonylContact O-C 3.57Å; E71-G88 WeakPolarHBondContact O-CA 3.37Å; G88-D90 WeakPolarHBondContact CA-OD1 3.32Å; G88-D90 PolarHBondContact O-N 2.96Å; G88-C91 PolarHBondContact O-N 3.18Å; G88-L92 PolarHBondContact N-O 2.78Å; G88-L92 VanDerWaalsContact N-O 3.17Å; G88-V114 PolarHBondContact O-N 2.84Å
89A98.6Very high96.8Very high43 Ų4325.1 Ų25.136%0.35515%0.149SC..THydrogen-bonded Turntrans-69.1-10.3171.600000113.4E71 C91 R113E71-A89 HydrophobicContact CB-CB 4.3Å; E71-A89 PolarHBondContact O-N 2.99Å; A89-C91 PolarHBondContact O-N 2.86Å; A89-R113 HydrophobicContact CB-CG 4.36Å
90D98.6Very high97.1Very high36 Ų3625.4 Ų25.419%0.19316%0.158CC..THydrogen-bonded Turntrans-82.710.9170.161-10.7000113.5H68 G69 G88 L92H68-D90 VanDerWaalsContact CA-OD2 3.23Å; H68-D90 WeakPolarHBondContact CA-OD2 3.46Å; H68-D90 WeakPolarHBondContact CB-OD2 3.35Å; H68-D90 IonicContact CE1-OD1 3.48Å; H68-D90 IonicContact CG-OD1 3.07Å; H68-D90 IonicContact CG-OD2 3.75Å; H68-D90 IonicContact ND1-OD1 3.35Å; H68-D90 PolarHBondContact ND1-OD1 2.87Å; H68-D90 IonicContact ND1-OD2 3.22Å; H68-D90 PolarHBondContact ND1-OD2 3.48Å; H68-D90 VanDerWaalsContact ND1-OD2 3.07Å; G69-D90 PolarHBondContact N-OD2 3.18Å; G88-D90 WeakPolarHBondContact CA-OD1 3.32Å; G88-D90 PolarHBondContact O-N 2.96Å; D90-L92 HydrophobicContact CB-CG 4.21Å; D90-L92 WeakPolarHBondContact O-CG 3.31Å; D90-L92 PolarHBondContact O-N 2.92Å; D90-L92 VanDerWaalsContact O-N 3.16Å; D90-L92 WeakPolarHBondContact OD1-CB 3.21Å; D90-L92 PolarHBondContact OD1-N 2.79Å; D90-L92 VanDerWaalsContact OD2-CD1 3.25Å; D90-L92 WeakPolarHBondContact OD2-CD1 3.35Å; D90-L92 WeakPolarHBondContact OD2-CG 3.23Å
91C98.6Very high97.4Very high37 Ų3724.3 Ų24.325%0.2516%0.155CC..SBendtrans61.118.8-178.1-45.40000113.5G88 A89 H110 G112G88-C91 PolarHBondContact O-N 3.18Å; A89-C91 PolarHBondContact O-N 2.86Å; C91-H110 HydrophobicContact CB-CB 4.46Å; C91-H110 WeakPolarHBondContact CB-O 3.27Å; C91-G112 WeakPolarHBondContact CB-O 3.5Å; C91-G112 PolarHBondContact SG-O 2.81Å
92L98.4Very high97.6Very high13 Ų1328.7 Ų28.77%0.06818%0.175CC..  trans-97.3141.1-179.1-59.7-169.2000111.8H68 G87 G88 D90 I94 R108H68-L92 PolarHBondContact CE1-O 2.92Å; G87-L92 WeakPolarHBondContact CA-O 3.27Å; G88-L92 PolarHBondContact N-O 2.78Å; G88-L92 VanDerWaalsContact N-O 3.17Å; D90-L92 HydrophobicContact CB-CG 4.21Å; D90-L92 WeakPolarHBondContact O-CG 3.31Å; D90-L92 PolarHBondContact O-N 2.92Å; D90-L92 VanDerWaalsContact O-N 3.16Å; D90-L92 WeakPolarHBondContact OD1-CB 3.21Å; D90-L92 PolarHBondContact OD1-N 2.79Å; D90-L92 VanDerWaalsContact OD2-CD1 3.25Å; D90-L92 WeakPolarHBondContact OD2-CD1 3.35Å; D90-L92 WeakPolarHBondContact OD2-CG 3.23Å; L92-I94 HydrophobicContact CB-CD1 4.42Å; L92-I94 HydrophobicContact CB-CG1 4.1Å; L92-I94 HydrophobicContact CD1-CD1 4.28Å; L92-R108 HydrophobicContact CD2-CB 4.31Å; L92-R108 HydrophobicContact CD2-CG 3.48Å; L92-R108 VanDerWaalsContact CD2-CG 3.48Å
93V98.7Very high97.7Very high0 Ų028.6 Ų28.60%017%0.174CC..EExtended strand (participates in β ladder)trans-106124.9157.9-1740000107.3S86 W107 V114 V117 L135 S137 W147S86-V93 CarbonylContact O-C 3.6Å; S86-V93 VanDerWaalsContact O-CA 3.26Å; S86-V93 WeakPolarHBondContact O-CA 3.45Å; V93-W107 HydrophobicContact CB-CB 4.4Å; V93-W107 HydrophobicContact CB-CE3 3.94Å; V93-W107 HydrophobicContact CG1-CE3 3.71Å; V93-W107 HydrophobicContact CG1-CZ3 4.04Å; V93-W107 PolarHBondContact N-O 3.23Å; V93-W107 PolarHBondContact O-N 2.86Å; V93-V114 HydrophobicContact CG2-CG1 4.24Å; V93-V114 HydrophobicContact CG2-CG2 3.98Å; V93-V117 HydrophobicContact CG1-CG1 4.36Å; V93-L135 HydrophobicContact CG1-CD2 3.55Å; V93-S137 WeakPolarHBondContact CG2-OG 3.26Å; V93-W147 HydrophobicContact CG2-CZ2 4.22Å
94I98.4Very high97.7Very high0 Ų029.5 Ų29.50%018%0.18CC..EExtended strand (participates in β ladder)trans-120.5132.1-179.1-53.7-179.3000109.3G85 S86 L92 W96 R105 R106G85-I94 CarbonylContact C-O 3.36Å; G85-I94 WeakPolarHBondContact CA-O 3.34Å; S86-I94 PolarHBondContact N-O 2.81Å; S86-I94 PolarHBondContact O-N 3.28Å; L92-I94 HydrophobicContact CB-CD1 4.42Å; L92-I94 HydrophobicContact CB-CG1 4.1Å; L92-I94 HydrophobicContact CD1-CD1 4.28Å; I94-W96 HydrophobicContact CB-CZ2 3.71Å; I94-W96 HydrophobicContact CD1-CH2 4.02Å; I94-W96 HydrophobicContact CD1-CZ2 3.65Å; I94-W96 HydrophobicContact CG1-CZ2 4.26Å; I94-W96 HydrophobicContact CG2-CD2 3.68Å; I94-W96 HydrophobicContact CG2-CE3 4.16Å; I94-W96 HydrophobicContact CG2-CG 4.24Å; I94-W96 HydrophobicContact CG2-CH2 3.93Å; I94-W96 HydrophobicContact CG2-CZ2 3.41Å; I94-W96 VanDerWaalsContact CG2-CZ2 3.41Å; I94-W96 HydrophobicContact CG2-CZ3 4.27Å; I94-W96 PolarHBondContact O-NE1 3.04Å; I94-R105 WeakPolarHBondContact CA-O 3.3Å; I94-R105 WeakPolarHBondContact CG2-O 3.47Å; I94-R106 HydrophobicContact CG1-CG 4.27Å; I94-R106 HydrophobicContact CG2-CG 4.22Å
95L97.8Very high97.7Very high0 Ų032 Ų320%019%0.189CC..EExtended strand (participates in β ladder)trans-99.1129.9168.6-170.473.4000108.6Q83 L84 S103 I104 R105 W107 F119 A149Q83-L95 HydrophobicContact CB-CD1 4.19Å; L84-L95 CarbonylContact O-C 3.58Å; L84-L95 WeakPolarHBondContact O-CA 3.15Å; L95-S103 CarbonylContact O-C 3.46Å; L95-S103 WeakPolarHBondContact O-CA 3.12Å; L95-I104 HydrophobicContact CB-CB 4.47Å; L95-I104 HydrophobicContact CD2-CB 4.15Å; L95-I104 HydrophobicContact CD2-CD1 4.26Å; L95-I104 HydrophobicContact CD2-CG2 4.18Å; L95-I104 HydrophobicContact CG-CB 4.36Å; L95-I104 HydrophobicContact CG-CD1 4.3Å; L95-I104 PolarHBondContact O-N 3.4Å; L95-R105 HydrophobicContact CB-CB 3.91Å; L95-R105 HydrophobicContact CD2-CG 4.31Å; L95-R105 PolarHBondContact N-O 3.04Å; L95-R105 PolarHBondContact O-N 3.14Å; L95-W107 HydrophobicContact CB-CH2 3.81Å; L95-W107 HydrophobicContact CB-CZ3 3.81Å; L95-W107 HydrophobicContact CD2-CH2 4.24Å; L95-W107 HydrophobicContact CG-CH2 4.47Å; L95-F119 HydrophobicContact CD1-CE1 3.91Å; L95-F119 HydrophobicContact CD1-CZ 3.58Å; L95-A149 HydrophobicContact CD1-CB 4.36Å; L95-A149 HydrophobicContact CD2-CB 3.82Å
96W98.1Very high97.6Very high3 Ų336.3 Ų36.31%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-119.4148.1-176.5-4783.8000111I51 Y65 H68 Q83 L84 S86 I94 Q102I51-W96 HydrophobicContact CD1-CZ2 4.19Å; Y65-W96 HydrophobicContact CD1-CB 4.28Å; Y65-W96 HydrophobicContact CD1-CD2 4.48Å; Y65-W96 HydrophobicContact CD1-CE3 4.29Å; H68-W96 AromaticContact CD2-CZ2 3.91Å; Q83-W96 VanDerWaalsContact CA-O 3.23Å; Q83-W96 WeakPolarHBondContact CA-O 3.35Å; L84-W96 HydrophobicContact CB-CB 4.14Å; L84-W96 HydrophobicContact CB-CG 4.41Å; L84-W96 PolarHBondContact N-O 2.55Å; L84-W96 PolarHBondContact O-N 2.86Å; S86-W96 PolarHBondContact OG-NE1 3.16Å; I94-W96 HydrophobicContact CB-CZ2 3.71Å; I94-W96 HydrophobicContact CD1-CH2 4.02Å; I94-W96 HydrophobicContact CD1-CZ2 3.65Å; I94-W96 HydrophobicContact CG1-CZ2 4.26Å; I94-W96 HydrophobicContact CG2-CD2 3.68Å; I94-W96 HydrophobicContact CG2-CE3 4.16Å; I94-W96 HydrophobicContact CG2-CG 4.24Å; I94-W96 HydrophobicContact CG2-CH2 3.93Å; I94-W96 HydrophobicContact CG2-CZ2 3.41Å; I94-W96 VanDerWaalsContact CG2-CZ2 3.41Å; I94-W96 HydrophobicContact CG2-CZ3 4.27Å; I94-W96 PolarHBondContact O-NE1 3.04Å; W96-Q102 WeakPolarHBondContact CA-O 3.36Å
97D96.7Very high97.6Very high42 Ų4236.5 Ų36.523%0.22521%0.206CC..EExtended strand (participates in β ladder)trans-87121.9164.5-177.8-80.1000108.9S99 T100 G101 Q102 I104D97-S99 VanDerWaalsContact C-N 3.3Å; D97-S99 PolarHBondContact O-N 3.21Å; D97-S99 PolarHBondContact OD1-N 3.04Å; D97-S99 PolarHBondContact OD1-OG 2.98Å; D97-T100 VanDerWaalsContact CB-OG1 3.27Å; D97-T100 WeakPolarHBondContact CB-OG1 3.25Å; D97-T100 VanDerWaalsContact CG-OG1 3.3Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.4Å; D97-T100 PolarHBondContact OD1-N 2.96Å; D97-T100 PolarHBondContact OD1-OG1 3.45Å; D97-G101 WeakPolarHBondContact O-CA 3.45Å; D97-G101 PolarHBondContact O-N 3.11Å; D97-Q102 PolarHBondContact N-O 2.92Å; D97-I104 HydrophobicContact CB-CD1 3.83Å; D97-I104 HydrophobicContact CB-CG1 3.9Å
98V97.3Very high97.5Very high28 Ų2845.3 Ų45.317%0.1724%0.239CC..THydrogen-bonded Turntrans-62.7-39.5-175.8170.40000111.3L53 Y65 N81 S82 L84L53-V98 HydrophobicContact CD2-CG1 4.11Å; Y65-V98 PolarHBondContact OH-O 2.77Å; Y65-V98 VanDerWaalsContact OH-O 3.07Å; N81-V98 WeakPolarHBondContact O-CG2 3.31Å; S82-V98 VanDerWaalsContact C-CG2 3.46Å; S82-V98 WeakPolarHBondContact O-CB 3.26Å; S82-V98 WeakPolarHBondContact O-CG2 3.41Å; S82-V98 PolarHBondContact O-N 2.94Å; L84-V98 HydrophobicContact CD1-CG2 4.34Å; L84-V98 HydrophobicContact CD2-CG2 3.49Å; L84-V98 VanDerWaalsContact CD2-CG2 3.49Å; L84-V98 HydrophobicContact CG-CG2 3.53Å
99S96.7Very high97.5Very high85 Ų8550.9 Ų50.959%0.59426%0.26SS*.THydrogen-bonded Turntrans-74.7-49.3-172.673.70000112K63 D97K63-S99 WeakPolarHBondContact CE-O 3.45Å; K63-S99 PolarHBondContact NZ-O 3.4Å; D97-S99 VanDerWaalsContact C-N 3.3Å; D97-S99 PolarHBondContact O-N 3.21Å; D97-S99 PolarHBondContact OD1-N 3.04Å; D97-S99 PolarHBondContact OD1-OG 2.98Å
100T97.2Very high97.5Very high80 Ų8049.4 Ų49.449%0.49125%0.246SC..THydrogen-bonded Turntrans-83.8-26.4-175.763.10000112.1D97 Q102D97-T100 VanDerWaalsContact CB-OG1 3.27Å; D97-T100 WeakPolarHBondContact CB-OG1 3.25Å; D97-T100 VanDerWaalsContact CG-OG1 3.3Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.4Å; D97-T100 PolarHBondContact OD1-N 2.96Å; D97-T100 PolarHBondContact OD1-OG1 3.45Å; T100-Q102 VanDerWaalsContact C-N 3.27Å; T100-Q102 PolarHBondContact OG1-N 3.18Å
101G96.7Very high97.5Very high17 Ų1752 Ų5218%0.17527%0.273CS..  trans79.95.6-173.200000114.4D97D97-G101 WeakPolarHBondContact O-CA 3.45Å; D97-G101 PolarHBondContact O-N 3.11Å
102Q97.3Very high97.5Very high130 Ų13050.9 Ų50.961%0.60727%0.267SS*.  trans-85.6147.2-175-64.4-64.5-25.900111.6W96 D97 T100 I104W96-Q102 WeakPolarHBondContact CA-O 3.36Å; D97-Q102 PolarHBondContact N-O 2.92Å; T100-Q102 VanDerWaalsContact C-N 3.27Å; T100-Q102 PolarHBondContact OG1-N 3.18Å; Q102-I104 PolarHBondContact O-N 3.09Å
103S96.6Very high97.5Very high48 Ų4854 Ų5434%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-76.5115.9170.265.40000110.2L95L95-S103 CarbonylContact O-C 3.46Å; L95-S103 WeakPolarHBondContact O-CA 3.12Å
104I95.4Very high97.5Very high55 Ų5554 Ų5428%0.28228%0.277SS..EExtended strand (participates in β ladder)trans-76.6-40.7176.8-53.9172.4000110.7Q83 L95 D97 Q102Q83-I104 HydrophobicContact CG-CD1 4.1Å; L95-I104 HydrophobicContact CB-CB 4.47Å; L95-I104 HydrophobicContact CD2-CB 4.15Å; L95-I104 HydrophobicContact CD2-CD1 4.26Å; L95-I104 HydrophobicContact CD2-CG2 4.18Å; L95-I104 HydrophobicContact CG-CB 4.36Å; L95-I104 HydrophobicContact CG-CD1 4.3Å; L95-I104 PolarHBondContact O-N 3.4Å; D97-I104 HydrophobicContact CB-CD1 3.83Å; D97-I104 HydrophobicContact CB-CG1 3.9Å; Q102-I104 PolarHBondContact O-N 3.09Å
105R95.9Very high97.5Very high55 Ų5555 Ų5521%0.20828%0.283CS..EExtended strand (participates in β ladder)trans-142.7151.4-179.8-67.1-72.7-175.5-81.9-18.3110.9I94 L95 W107 A151I94-R105 WeakPolarHBondContact CA-O 3.3Å; I94-R105 WeakPolarHBondContact CG2-O 3.47Å; L95-R105 HydrophobicContact CB-CB 3.91Å; L95-R105 HydrophobicContact CD2-CG 4.31Å; L95-R105 PolarHBondContact N-O 3.04Å; L95-R105 PolarHBondContact O-N 3.14Å; R105-W107 HydrophobicContact CB-CD2 4.23Å; R105-W107 HydrophobicContact CB-CE3 4.34Å; R105-W107 HydrophobicContact CB-CH2 3.79Å; R105-W107 HydrophobicContact CB-CZ2 3.63Å; R105-W107 HydrophobicContact CB-CZ3 4.13Å; R105-W107 HydrophobicContact CG-CH2 4.16Å; R105-W107 HydrophobicContact CG-CZ2 3.73Å; R105-A151 PolarHBondContact NE-O 2.79Å; R105-A151 PolarHBondContact NH2-O 2.96Å
106R96.9Very high97.5Very high90 Ų9055.4 Ų55.434%0.3429%0.286SS..EExtended strand (participates in β ladder)trans-137.2114.8171.6-60178.968.3104.5-1.3108.2G67 I94G67-R106 VanDerWaalsContact O-CZ 3.29Å; G67-R106 PolarHBondContact O-NH1 3.48Å; G67-R106 PolarHBondContact O-NH2 3.14Å; I94-R106 HydrophobicContact CG1-CG 4.27Å; I94-R106 HydrophobicContact CG2-CG 4.22Å
107W98.2Very high97.5Very high4 Ų455.4 Ų55.42%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-104.4133.1179.3-59.1-77.1000110.9V93 L95 R105 L135 W147 T153V93-W107 HydrophobicContact CB-CB 4.4Å; V93-W107 HydrophobicContact CB-CE3 3.94Å; V93-W107 HydrophobicContact CG1-CE3 3.71Å; V93-W107 HydrophobicContact CG1-CZ3 4.04Å; V93-W107 PolarHBondContact N-O 3.23Å; V93-W107 PolarHBondContact O-N 2.86Å; L95-W107 HydrophobicContact CB-CH2 3.81Å; L95-W107 HydrophobicContact CB-CZ3 3.81Å; L95-W107 HydrophobicContact CD2-CH2 4.24Å; L95-W107 HydrophobicContact CG-CH2 4.47Å; R105-W107 HydrophobicContact CB-CD2 4.23Å; R105-W107 HydrophobicContact CB-CE3 4.34Å; R105-W107 HydrophobicContact CB-CH2 3.79Å; R105-W107 HydrophobicContact CB-CZ2 3.63Å; R105-W107 HydrophobicContact CB-CZ3 4.13Å; R105-W107 HydrophobicContact CG-CH2 4.16Å; R105-W107 HydrophobicContact CG-CZ2 3.73Å; W107-L135 HydrophobicContact CH2-CD2 4.38Å; W107-L135 HydrophobicContact CZ3-CD2 3.74Å; W107-W147 HydrophobicContact CB-CD2 4.3Å; W107-W147 HydrophobicContact CB-CE3 3.91Å; W107-W147 HydrophobicContact CB-CH2 3.48Å; W107-W147 VanDerWaalsContact CB-CH2 3.48Å; W107-W147 HydrophobicContact CB-CZ2 3.96Å; W107-W147 HydrophobicContact CB-CZ3 3.5Å; W107-W147 VanDerWaalsContact CB-CZ3 3.5Å; W107-W147 AromaticContact CD1-CE3 3.5Å; W107-W147 AromaticContact CD1-CZ3 3.54Å; W107-W147 HydrophobicContact CD2-CB 4.47Å; W107-W147 HydrophobicContact CD2-CD2 4.01Å; W107-W147 AromaticContact CD2-CE3 3.88Å; W107-W147 HydrophobicContact CD2-CE3 3.88Å; W107-W147 HydrophobicContact CD2-CG 4.28Å; W107-W147 HydrophobicContact CD2-CZ3 4.38Å; W107-W147 HydrophobicContact CE3-CD2 4.36Å; W107-W147 HydrophobicContact CE3-CG 4.3Å; W107-W147 HydrophobicContact CG-CD2 4.01Å; W107-W147 AromaticContact CG-CE3 3.51Å; W107-W147 HydrophobicContact CG-CE3 3.51Å; W107-W147 HydrophobicContact CG-CH2 4.05Å; W107-W147 AromaticContact CG-CZ3 3.55Å; W107-W147 HydrophobicContact CG-CZ3 3.55Å; W107-W147 HydrophobicContact CH2-CB 4.12Å; W107-W147 HydrophobicContact CZ2-CB 4.04Å; W107-W147 HydrophobicContact CZ3-CB 4.39Å; W107-W147 AromaticContact NE1-CE3 3.85Å; W107-T153 PolarHBondContact NE1-O 3.01Å
108R97.2Very high97.5Very high185 Ų18555 Ų5570%0.69828%0.284SS*.  trans-122.571.6-176.3-55.9-160.2169.3161.8-3.6110.4L92L92-R108 HydrophobicContact CD2-CB 4.31Å; L92-R108 HydrophobicContact CD2-CG 3.48Å; L92-R108 VanDerWaalsContact CD2-CG 3.48Å
109R98.2Very high97.5Very high118 Ų11854.5 Ų54.545%0.44528%0.28SS..  trans-127.7-27.4-179.7-62.8-78.4170.6-167.5-10.4114.5A111 L145 W147 Y155R109-A111 PolarHBondContact O-N 2.91Å; R109-L145 HydrophobicContact CB-CD1 3.79Å; R109-W147 HydrophobicContact CB-CH2 3.69Å; R109-W147 HydrophobicContact CB-CZ2 4.47Å; R109-W147 HydrophobicContact CG-CH2 3.67Å; R109-W147 HydrophobicContact CG-CZ3 4.11Å; R109-Y155 VanDerWaalsContact NH2-CD1 3.3Å
110H98.5Very high97.3Very high11 Ų1150.8 Ų50.85%0.05125%0.253CS..  trans-61.5135.6171.9-80.6-70.9000109.7C91 G112 V114 S137 D141C91-H110 HydrophobicContact CB-CB 4.46Å; C91-H110 WeakPolarHBondContact CB-O 3.27Å; H110-G112 VanDerWaalsContact C-N 3.31Å; H110-G112 WeakPolarHBondContact CB-O 3.37Å; H110-V114 HydrophobicContact CB-CG2 4.18Å; H110-S137 PolarHBondContact NE2-OG 3.23Å; H110-D141 WeakPolarHBondContact CA-OD2 3.15Å; H110-D141 WeakPolarHBondContact CB-OD2 3.35Å; H110-D141 IonicContact CE1-OD1 2.71Å; H110-D141 IonicContact CG-OD2 3.93Å; H110-D141 IonicContact ND1-OD1 2.86Å; H110-D141 PolarHBondContact ND1-OD1 3.12Å; H110-D141 IonicContact ND1-OD2 3.25Å; H110-D141 PolarHBondContact ND1-OD2 3.49Å
111A98.1Very high96.8Very high92 Ų9248 Ų4876%0.7624%0.238SC*.SBendtrans-89.6-1.2175.200000112.3R109 D141R109-A111 PolarHBondContact O-N 2.91Å; A111-D141 HydrophobicContact CB-CB 4.04Å; A111-D141 PolarHBondContact N-OD2 3.15Å
112G98.4Very high95.9Very high12 Ų1248 Ų4812%0.12424%0.235CC..SBendtrans-145.7-178.2176.200000112.2C91 H110 V114C91-G112 WeakPolarHBondContact CB-O 3.5Å; C91-G112 PolarHBondContact SG-O 2.81Å; H110-G112 VanDerWaalsContact C-N 3.31Å; H110-G112 WeakPolarHBondContact CB-O 3.37Å; G112-V114 PolarHBondContact O-N 3.25Å
113R98.7Very high94.9Very high78 Ų7849.7 Ų49.729%0.29424%0.241SC..  trans-51.4134.8175.9170.5179.1-168.8152.713.6110.4E71 S73 A89 G139 V140E71-R113 IonicContact OE2-NH1 3.02Å; E71-R113 IonicContact OE2-NH2 4Å; S73-R113 VanDerWaalsContact OG-CZ 3.24Å; S73-R113 PolarHBondContact OG-NE 3.16Å; S73-R113 PolarHBondContact OG-NH2 3.39Å; A89-R113 HydrophobicContact CB-CG 4.36Å; R113-G139 WeakPolarHBondContact O-CA 3.47Å; R113-V140 HydrophobicContact CB-CG2 3.86Å; R113-V140 PolarHBondContact O-N 3.5Å
114V98.8Very high93.6Very high0 Ų049.7 Ų49.70%024%0.235CC..EExtended strand (participates in β ladder)trans-79.3121.4169.9-173.30000108.1S73 G88 V93 H110 G112 V117 T138S73-V114 WeakPolarHBondContact CB-O 3.21Å; S73-V114 PolarHBondContact OG-O 2.83Å; G88-V114 PolarHBondContact O-N 2.84Å; V93-V114 HydrophobicContact CG2-CG1 4.24Å; V93-V114 HydrophobicContact CG2-CG2 3.98Å; H110-V114 HydrophobicContact CB-CG2 4.18Å; G112-V114 PolarHBondContact O-N 3.25Å; V114-V117 HydrophobicContact CG1-CG1 4.07Å; V114-T138 CarbonylContact C-O 3.45Å; V114-T138 WeakPolarHBondContact CA-O 3.31Å; V114-T138 WeakPolarHBondContact CG1-O 3.29Å
115N98.7Very high92Very high21 Ų2153.7 Ų53.711%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-88.7-33.9-174.7-71.6-32.5000113.3T138 V140 S166 V167 K249N115-T138 PolarHBondContact N-O 2.76Å; N115-V140 PolarHBondContact ND2-N 2.98Å; N115-V140 WeakPolarHBondContact OD1-CG2 3.36Å; N115-S166 PolarHBondContact ND2-OG 3.21Å; N115-V167 WeakPolarHBondContact CB-O 3.25Å; N115-V167 PolarHBondContact ND2-O 3.47Å; N115-K249 PolarHBondContact O-NZ 3.48Å
116S98.4Very high90.3Very high10 Ų1055.6 Ų55.67%0.0728%0.279CS..EExtended strand (participates in β ladder)trans-154.4154.8-179.4-172.20000111.9D74 S137 T138D74-S116 WeakPolarHBondContact OD2-CA 3.37Å; D74-S116 WeakPolarHBondContact OD2-CB 3.36Å; D74-S116 PolarHBondContact OD2-OG 3.1Å; S116-S137 WeakPolarHBondContact O-CA 3.49Å; S116-T138 PolarHBondContact N-O 2.98Å; S116-T138 PolarHBondContact O-N 3.09Å
117V98.5Very high88.7Confident2 Ų258.1 Ų58.11%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-135.1144.7173.3-67.60000110.9D74 Q76 G85 V93 V114 L135 L136D74-V117 HydrophobicContact CB-CG2 4.23Å; D74-V117 PolarHBondContact OD2-N 3.21Å; D74-V117 VanDerWaalsContact OD2-N 3.09Å; Q76-V117 HydrophobicContact CB-CG2 4.34Å; G85-V117 WeakPolarHBondContact O-CG2 3.38Å; V93-V117 HydrophobicContact CG1-CG1 4.36Å; V114-V117 HydrophobicContact CG1-CG1 4.07Å; V117-L135 HydrophobicContact CB-CD1 4.27Å; V117-L136 CarbonylContact C-O 3.53Å; V117-L136 VanDerWaalsContact CA-O 3.26Å; V117-L136 WeakPolarHBondContact CA-O 3.09Å
118L97Very high87.1Confident34 Ų3459.2 Ų59.218%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-150.1128.1-176.6-179.262.2000111.7Q76 I120 L136 F172Q76-L118 HydrophobicContact CG-CD1 4.45Å; L118-I120 HydrophobicContact CD2-CG2 4.24Å; L118-I120 HydrophobicContact CG-CG2 4.1Å; L118-L136 HydrophobicContact CB-CB 4.46Å; L118-L136 PolarHBondContact N-O 3.16Å; L118-L136 PolarHBondContact O-N 2.95Å; L118-F172 HydrophobicContact CD2-CB 3.6Å
119F95.3Very high85.6Confident18 Ų1856.8 Ų56.88%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-79.2135.8169.5-77.5-81.9000111.1Q76 A77 Q83 G85 L95 I134 L135Q76-F119 HydrophobicContact CG-CD2 4.46Å; Q76-F119 WeakPolarHBondContact O-CE2 3.48Å; A77-F119 VanDerWaalsContact C-CD2 3.48Å; A77-F119 WeakPolarHBondContact O-CD2 3.45Å; Q83-F119 HydrophobicContact CB-CZ 4.25Å; G85-F119 VanDerWaalsContact N-CE2 3.31Å; L95-F119 HydrophobicContact CD1-CE1 3.91Å; L95-F119 HydrophobicContact CD1-CZ 3.58Å; F119-I134 WeakPolarHBondContact CA-O 3.37Å; F119-L135 HydrophobicContact CD1-CB 4.3Å; F119-L135 HydrophobicContact CD1-CD1 4.1Å; F119-L135 HydrophobicContact CD2-CD1 3.99Å; F119-L135 HydrophobicContact CE1-CB 4.2Å; F119-L135 HydrophobicContact CE1-CD1 4.09Å; F119-L135 HydrophobicContact CE2-CD1 4Å; F119-L135 HydrophobicContact CG-CD1 4.07Å; F119-L135 HydrophobicContact CZ-CD1 4.05Å
120I92.5Very high84.2Confident6 Ų655.3 Ų55.33%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-129.8152.8177.371.5164.6000110.9L118 P122 I134 L136 F172 I177 I191L118-I120 HydrophobicContact CD2-CG2 4.24Å; L118-I120 HydrophobicContact CG-CG2 4.1Å; I120-P122 HydrophobicContact CD1-CG 4.28Å; I120-I134 HydrophobicContact CD1-CB 4.35Å; I120-I134 HydrophobicContact CD1-CG2 3.86Å; I120-I134 HydrophobicContact CG1-CB 3.66Å; I120-I134 HydrophobicContact CG1-CG2 3.55Å; I120-I134 PolarHBondContact N-O 2.86Å; I120-L136 HydrophobicContact CD1-CD1 4Å; I120-L136 HydrophobicContact CD1-CD2 4.04Å; I120-L136 HydrophobicContact CD1-CG 3.98Å; I120-L136 HydrophobicContact CG1-CD1 4.47Å; I120-L136 HydrophobicContact CG1-CG 4.19Å; I120-L136 HydrophobicContact CG2-CD1 3.69Å; I120-L136 HydrophobicContact CG2-CG 3.99Å; I120-F172 HydrophobicContact CB-CB 4.41Å; I120-F172 HydrophobicContact CB-CD1 3.59Å; I120-F172 HydrophobicContact CB-CD2 3.98Å; I120-F172 HydrophobicContact CB-CE1 3.71Å; I120-F172 HydrophobicContact CB-CE2 4.08Å; I120-F172 HydrophobicContact CB-CG 3.72Å; I120-F172 HydrophobicContact CB-CZ 3.93Å; I120-F172 HydrophobicContact CD1-CD2 4.25Å; I120-F172 HydrophobicContact CD1-CE2 4.19Å; I120-F172 HydrophobicContact CG2-CB 3.42Å; I120-F172 VanDerWaalsContact CG2-CB 3.42Å; I120-F172 HydrophobicContact CG2-CD1 3.49Å; I120-F172 VanDerWaalsContact CG2-CD1 3.49Å; I120-F172 HydrophobicContact CG2-CD2 3.79Å; I120-F172 HydrophobicContact CG2-CE1 4.16Å; I120-F172 HydrophobicContact CG2-CE2 4.4Å; I120-F172 HydrophobicContact CG2-CG 3.27Å; I120-I177 HydrophobicContact CD1-CD1 4.17Å; I120-I191 HydrophobicContact CD1-CD1 4.34Å
121A88Confident82.4Confident23 Ų2357 Ų5719%0.1932%0.32CS..  trans-137.668.4178.500000110.6F123 H124A121-F123 PolarHBondContact O-N 3Å; A121-H124 HydrophobicContact CB-CB 4.1Å; A121-H124 PolarHBondContact O-N 2.89Å
122P78.4Confident81Confident16 Ų1652.9 Ų52.910%0.10429%0.286CS..THydrogen-bonded Turntrans-67.1-20.5-171.225.6-34.4000114.7I120 F172 I191I120-P122 HydrophobicContact CD1-CG 4.28Å; P122-F172 HydrophobicContact CB-CE2 4.3Å; P122-F172 HydrophobicContact CB-CZ 4.11Å; P122-I191 HydrophobicContact CB-CD1 3.78Å; P122-I191 HydrophobicContact CB-CG2 4.4Å; P122-I191 HydrophobicContact CG-CD1 4.3Å
123F75.9Confident80.2Confident166 Ų16653.1 Ų53.173%0.72829%0.286SS*.THydrogen-bonded Turntrans-109.21.3-175.7-53.8-65.7000114.1A121 I191A121-F123 PolarHBondContact O-N 3Å; F123-I191 HydrophobicContact CZ-CG2 4.45Å
124H68.3Low79.9Confident48 Ų4850.5 Ų50.522%0.22228%0.277CS..SBendtrans-96.3139.1-178.8-83.5-80.3000111A121 S128 D130A121-H124 HydrophobicContact CB-CB 4.1Å; A121-H124 PolarHBondContact O-N 2.89Å; H124-S128 WeakPolarHBondContact CB-OG 3.26Å; H124-S128 PolarHBondContact ND1-OG 3.15Å; H124-S128 VanDerWaalsContact ND1-OG 3.09Å; H124-D130 WeakPolarHBondContact CE1-CB 3.43Å; H124-D130 IonicContact CE1-OD2 2.94Å; H124-D130 PolarHBondContact CE1-OD2 2.72Å; H124-D130 IonicContact ND1-OD2 3.51Å; H124-D130 PolarHBondContact ND1-OD2 2.83Å
125N61.8Low79.8Confident138 Ų13850.5 Ų50.574%0.73828%0.277SS*.  trans-61.7142.5164.7-73-18.5000108.8D127 S128N125-D127 PolarHBondContact O-N 3.22Å; N125-S128 PolarHBondContact O-N 3.09Å; N125-S128 PolarHBondContact O-OG 2.92Å
126S60.1Low79.8Confident96 Ų9649.5 Ų49.567%0.67127%0.272SS*.THydrogen-bonded Turntrans-49.2-27.1-176.8520000113.5K79K79-S126 PolarHBondContact NZ-O 3.48Å
127D63.5Low79.8Confident142 Ų14249 Ų4976%0.75927%0.269SS*.THydrogen-bonded Turntrans-94.5-9.6-171.6-53.3-15.1000113.3N125N125-D127 PolarHBondContact O-N 3.22Å
128S65.1Low79.8Confident27 Ų2748.9 Ų48.919%0.18927%0.268CS..  trans-73.8131.6176620000111K79 H124 N125K79-S128 PolarHBondContact NZ-O 3.25Å; H124-S128 WeakPolarHBondContact CB-OG 3.26Å; H124-S128 PolarHBondContact ND1-OG 3.15Å; H124-S128 VanDerWaalsContact ND1-OG 3.09Å; N125-S128 PolarHBondContact O-N 3.09Å; N125-S128 PolarHBondContact O-OG 2.92Å
129L65.1Low79.9Confident134 Ų13447.3 Ų47.370%0.70226%0.259SS*.  trans-89.110.3175.6-129.383.4000112.4
130D68.5Low80Confident87 Ų8749.6 Ų49.647%0.46528%0.275SS..SBendtrans-61.1143.6179.3-66.3-33.1000110.4H124 S132H124-D130 WeakPolarHBondContact CE1-CB 3.43Å; H124-D130 IonicContact CE1-OD2 2.94Å; H124-D130 PolarHBondContact CE1-OD2 2.72Å; H124-D130 IonicContact ND1-OD2 3.51Å; H124-D130 PolarHBondContact ND1-OD2 2.83Å; D130-S132 PolarHBondContact O-N 3.07Å
131P62.2Low80.3Confident46 Ų4651.3 Ų51.330%0.29928%0.284SS..  trans-53.9128.8178.514.4-27.1000110.2D80 P133 R150D80-P131 WeakPolarHBondContact OD2-CA 3.26Å; D80-P131 VanDerWaalsContact OD2-CB 3.27Å; D80-P131 WeakPolarHBondContact OD2-CB 3.26Å; P131-P133 WeakPolarHBondContact O-CD 3.44Å; P131-R150 PolarHBondContact O-NH2 3.44Å
132S67.9Low80.8Confident7 Ų750.4 Ų50.45%0.04928%0.277CS..  trans-53.6111.8173-65.90000108.9D130 I134D130-S132 PolarHBondContact O-N 3.07Å; S132-I134 PolarHBondContact O-N 3.25Å
133P80.8Confident81.8Confident17 Ų1752.5 Ų52.511%0.1129%0.286CS..  trans-71.1-20.7-171.222.5-27.1000112P131 D148 A149P131-P133 WeakPolarHBondContact O-CD 3.44Å; P133-D148 CarbonylContact O-C 3.58Å; P133-D148 WeakPolarHBondContact O-CA 3.32Å; P133-A149 WeakPolarHBondContact O-CB 3.42Å; P133-A149 PolarHBondContact O-N 2.7Å
134I93.8Very high82.9Confident22 Ų2244.7 Ų44.711%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-116.8130.2-168.7-56-58000110.9F119 I120 S132 L136 V146 W147 D148F119-I134 WeakPolarHBondContact CA-O 3.37Å; I120-I134 HydrophobicContact CD1-CB 4.35Å; I120-I134 HydrophobicContact CD1-CG2 3.86Å; I120-I134 HydrophobicContact CG1-CB 3.66Å; I120-I134 HydrophobicContact CG1-CG2 3.55Å; I120-I134 PolarHBondContact N-O 2.86Å; S132-I134 PolarHBondContact O-N 3.25Å; I134-L136 HydrophobicContact CG2-CD2 4.33Å; I134-V146 HydrophobicContact CG2-CG1 3.38Å; I134-W147 CarbonylContact C-O 3.51Å; I134-W147 VanDerWaalsContact CA-O 3.27Å; I134-W147 WeakPolarHBondContact CA-O 3.35Å; I134-D148 HydrophobicContact CD1-CB 4.25Å
135L96.7Very high84.3Confident0 Ų042.6 Ų42.60%024%0.243CC..EExtended strand (participates in β ladder)trans-108.4129.4166.8-179.668000108.1V93 W107 V117 F119 W147V93-L135 HydrophobicContact CG1-CD2 3.55Å; W107-L135 HydrophobicContact CH2-CD2 4.38Å; W107-L135 HydrophobicContact CZ3-CD2 3.74Å; V117-L135 HydrophobicContact CB-CD1 4.27Å; F119-L135 HydrophobicContact CD1-CB 4.3Å; F119-L135 HydrophobicContact CD1-CD1 4.1Å; F119-L135 HydrophobicContact CD2-CD1 3.99Å; F119-L135 HydrophobicContact CE1-CB 4.2Å; F119-L135 HydrophobicContact CE1-CD1 4.09Å; F119-L135 HydrophobicContact CE2-CD1 4Å; F119-L135 HydrophobicContact CG-CD1 4.07Å; F119-L135 HydrophobicContact CZ-CD1 4.05Å; L135-W147 HydrophobicContact CB-CB 4.27Å; L135-W147 PolarHBondContact N-O 2.94Å; L135-W147 WeakPolarHBondContact O-CB 3.31Å; L135-W147 PolarHBondContact O-N 3.01Å
136L97.9Very high86Confident0 Ų036.6 Ų36.60%021%0.211CC..EExtended strand (participates in β ladder)trans-95.5146.9167.8-62.6-177.4000109.6V117 L118 I120 I134 L145 V146 I177V117-L136 CarbonylContact C-O 3.53Å; V117-L136 VanDerWaalsContact CA-O 3.26Å; V117-L136 WeakPolarHBondContact CA-O 3.09Å; L118-L136 HydrophobicContact CB-CB 4.46Å; L118-L136 PolarHBondContact N-O 3.16Å; L118-L136 PolarHBondContact O-N 2.95Å; I120-L136 HydrophobicContact CD1-CD1 4Å; I120-L136 HydrophobicContact CD1-CD2 4.04Å; I120-L136 HydrophobicContact CD1-CG 3.98Å; I120-L136 HydrophobicContact CG1-CD1 4.47Å; I120-L136 HydrophobicContact CG1-CG 4.19Å; I120-L136 HydrophobicContact CG2-CD1 3.69Å; I120-L136 HydrophobicContact CG2-CG 3.99Å; I134-L136 HydrophobicContact CG2-CD2 4.33Å; L136-L145 WeakPolarHBondContact CA-O 3.13Å; L136-V146 HydrophobicContact CD2-CB 4.1Å; L136-V146 HydrophobicContact CD2-CG1 3.99Å; L136-V146 HydrophobicContact CD2-CG2 3.63Å; L136-I177 HydrophobicContact CD1-CD1 3.82Å; L136-I177 HydrophobicContact CD1-CG1 3.98Å; L136-I177 HydrophobicContact CD1-CG2 3.97Å; L136-I177 HydrophobicContact CD2-CD1 4.3Å
137S98.7Very high87.8Confident0 Ų032.1 Ų32.10%018%0.179CC..EExtended strand (participates in β ladder)trans-136.3143.7165.863.60000111.1V93 H110 S116 V144 L145 W147V93-S137 WeakPolarHBondContact CG2-OG 3.26Å; H110-S137 PolarHBondContact NE2-OG 3.23Å; S116-S137 WeakPolarHBondContact O-CA 3.49Å; S137-V144 CarbonylContact O-C 3.55Å; S137-V144 WeakPolarHBondContact O-CA 3.35Å; S137-L145 PolarHBondContact N-O 3.46Å; S137-L145 PolarHBondContact O-N 2.86Å; S137-W147 PolarHBondContact OG-NE1 2.91Å
138T98.8Very high89.2Confident0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans-118147.1174.473.40000110.4V114 N115 S116 M143 V144 V167 C170V114-T138 CarbonylContact C-O 3.45Å; V114-T138 WeakPolarHBondContact CA-O 3.31Å; V114-T138 WeakPolarHBondContact CG1-O 3.29Å; N115-T138 PolarHBondContact N-O 2.76Å; S116-T138 PolarHBondContact N-O 2.98Å; S116-T138 PolarHBondContact O-N 3.09Å; T138-M143 WeakPolarHBondContact CA-O 3.24Å; T138-V144 HydrophobicContact CG2-CG1 4.31Å; T138-V144 HydrophobicContact CG2-CG2 3.98Å; T138-V167 HydrophobicContact CG2-CG1 3.75Å; T138-V167 PolarHBondContact OG1-O 3.37Å; T138-V167 VanDerWaalsContact OG1-O 3.09Å; T138-C170 HydrophobicContact CG2-CB 3.71Å
139G98.6Very high90.4Very high0 Ų026.4 Ų26.40%015%0.148CC..EExtended strand (participates in β ladder)trans-137.4165.9-173.600000115.3R113 D141 G142 M143 V167R113-G139 WeakPolarHBondContact O-CA 3.47Å; G139-D141 WeakPolarHBondContact CA-OD1 3.49Å; G139-D141 PolarHBondContact O-N 3.4Å; G139-G142 PolarHBondContact O-N 2.9Å; G139-M143 PolarHBondContact N-O 3.06Å; G139-M143 VanDerWaalsContact N-O 3.08Å; G139-V167 PolarHBondContact O-N 3.14Å
140V98.6Very high91.6Very high67 Ų6726.1 Ų26.141%0.40614%0.137SC..THydrogen-bonded Turntrans-61.8-23.1171.8172.10000112.2R113 N115 G142R113-V140 HydrophobicContact CB-CG2 3.86Å; R113-V140 PolarHBondContact O-N 3.5Å; N115-V140 PolarHBondContact ND2-N 2.98Å; N115-V140 WeakPolarHBondContact OD1-CG2 3.36Å; V140-G142 PolarHBondContact O-N 3.14Å
141D98.5Very high92.5Very high41 Ų4123.2 Ų23.222%0.21913%0.125CC..THydrogen-bonded Turntrans-73.66.4175.858.5-7.8000114.5H110 A111 G139 M143H110-D141 WeakPolarHBondContact CA-OD2 3.15Å; H110-D141 WeakPolarHBondContact CB-OD2 3.35Å; H110-D141 IonicContact CE1-OD1 2.71Å; H110-D141 IonicContact CG-OD2 3.93Å; H110-D141 IonicContact ND1-OD1 2.86Å; H110-D141 PolarHBondContact ND1-OD1 3.12Å; H110-D141 IonicContact ND1-OD2 3.25Å; H110-D141 PolarHBondContact ND1-OD2 3.49Å; A111-D141 HydrophobicContact CB-CB 4.04Å; A111-D141 PolarHBondContact N-OD2 3.15Å; G139-D141 WeakPolarHBondContact CA-OD1 3.49Å; G139-D141 PolarHBondContact O-N 3.4Å; D141-M143 HydrophobicContact CB-CG 4.31Å; D141-M143 PolarHBondContact O-N 3.35Å; D141-M143 WeakPolarHBondContact OD1-CB 3.27Å; D141-M143 PolarHBondContact OD1-N 3.02Å
142G98.5Very high93.7Very high5 Ų532 Ų325%0.05215%0.152CC..SBendtrans76.16.6-179.100000113.9G139 V140 D165G139-G142 PolarHBondContact O-N 2.9Å; V140-G142 PolarHBondContact O-N 3.14Å; G142-D165 WeakPolarHBondContact CA-O 3.44Å
143M98.6Very high94.9Very high59 Ų5933.8 Ų33.829%0.29116%0.163SC..  trans-95142.8-173.9-62-70.316800111.8T138 G139 D141 L145 T159 H161T138-M143 WeakPolarHBondContact CA-O 3.24Å; G139-M143 PolarHBondContact N-O 3.06Å; G139-M143 VanDerWaalsContact N-O 3.08Å; D141-M143 HydrophobicContact CB-CG 4.31Å; D141-M143 PolarHBondContact O-N 3.35Å; D141-M143 WeakPolarHBondContact OD1-CB 3.27Å; D141-M143 PolarHBondContact OD1-N 3.02Å; M143-L145 HydrophobicContact CB-CD2 4.12Å; M143-L145 HydrophobicContact CB-CG 4.19Å; M143-T159 HydrophobicContact SD-CG2 3.79Å; M143-H161 HydrophobicContact CE-CB 3.86Å; M143-H161 HydrophobicContact SD-CB 3.51Å; M143-H161 VanDerWaalsContact SD-CB 3.51Å
144V98.7Very high95.5Very high2 Ų236.4 Ų36.41%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-113.4114.3159.3-177.80000107.6S137 T138 I160 V167 T179S137-V144 CarbonylContact O-C 3.55Å; S137-V144 WeakPolarHBondContact O-CA 3.35Å; T138-V144 HydrophobicContact CG2-CG1 4.31Å; T138-V144 HydrophobicContact CG2-CG2 3.98Å; V144-I160 HydrophobicContact CB-CB 4.07Å; V144-I160 HydrophobicContact CG1-CD1 4.44Å; V144-I160 PolarHBondContact N-O 2.92Å; V144-I160 PolarHBondContact O-N 2.47Å; V144-V167 HydrophobicContact CG2-CB 4.37Å; V144-V167 HydrophobicContact CG2-CG1 3.91Å; V144-V167 HydrophobicContact CG2-CG2 4.15Å; V144-T179 HydrophobicContact CG2-CG2 3.97Å
145L98.5Very high95.6Very high5 Ų541.8 Ų41.83%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-107.5136.5-176.7-59-175000110.4R109 L136 S137 M143 W147 P156 T159R109-L145 HydrophobicContact CB-CD1 3.79Å; L136-L145 WeakPolarHBondContact CA-O 3.13Å; S137-L145 PolarHBondContact N-O 3.46Å; S137-L145 PolarHBondContact O-N 2.86Å; M143-L145 HydrophobicContact CB-CD2 4.12Å; M143-L145 HydrophobicContact CB-CG 4.19Å; L145-W147 HydrophobicContact CB-CH2 4.45Å; L145-W147 HydrophobicContact CB-CZ2 3.64Å; L145-W147 HydrophobicContact CD1-CH2 3.84Å; L145-W147 HydrophobicContact CD1-CZ2 3.44Å; L145-W147 VanDerWaalsContact CD1-CZ2 3.44Å; L145-W147 HydrophobicContact CG-CZ2 4.18Å; L145-P156 HydrophobicContact CB-CB 4.37Å; L145-P156 HydrophobicContact CD2-CG 4.38Å; L145-T159 HydrophobicContact CD2-CG2 3.66Å
146V97.4Very high95.6Very high12 Ų1243 Ų437%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-108.7120.3-179.6-171.40000108.8I134 L136 P156 V157 Q158I134-V146 HydrophobicContact CG2-CG1 3.38Å; L136-V146 HydrophobicContact CD2-CB 4.1Å; L136-V146 HydrophobicContact CD2-CG1 3.99Å; L136-V146 HydrophobicContact CD2-CG2 3.63Å; V146-P156 CarbonylContact O-C 3.58Å; V146-P156 VanDerWaalsContact O-CA 3.27Å; V146-P156 WeakPolarHBondContact O-CA 3.37Å; V146-P156 WeakPolarHBondContact O-CB 3.22Å; V146-V157 PolarHBondContact O-N 3.08Å; V146-Q158 HydrophobicContact CB-CB 3.93Å; V146-Q158 HydrophobicContact CG2-CB 3.8Å; V146-Q158 HydrophobicContact CG2-CG 4.46Å; V146-Q158 PolarHBondContact N-O 2.87Å
147W96.9Very high95.5Very high1 Ų147.5 Ų47.50%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-113.9134.2-176.7-47.4100.3000110.5V93 W107 R109 I134 L135 S137 L145 P156V93-W147 HydrophobicContact CG2-CZ2 4.22Å; W107-W147 HydrophobicContact CB-CD2 4.3Å; W107-W147 HydrophobicContact CB-CE3 3.91Å; W107-W147 HydrophobicContact CB-CH2 3.48Å; W107-W147 VanDerWaalsContact CB-CH2 3.48Å; W107-W147 HydrophobicContact CB-CZ2 3.96Å; W107-W147 HydrophobicContact CB-CZ3 3.5Å; W107-W147 VanDerWaalsContact CB-CZ3 3.5Å; W107-W147 AromaticContact CD1-CE3 3.5Å; W107-W147 AromaticContact CD1-CZ3 3.54Å; W107-W147 HydrophobicContact CD2-CB 4.47Å; W107-W147 HydrophobicContact CD2-CD2 4.01Å; W107-W147 AromaticContact CD2-CE3 3.88Å; W107-W147 HydrophobicContact CD2-CE3 3.88Å; W107-W147 HydrophobicContact CD2-CG 4.28Å; W107-W147 HydrophobicContact CD2-CZ3 4.38Å; W107-W147 HydrophobicContact CE3-CD2 4.36Å; W107-W147 HydrophobicContact CE3-CG 4.3Å; W107-W147 HydrophobicContact CG-CD2 4.01Å; W107-W147 AromaticContact CG-CE3 3.51Å; W107-W147 HydrophobicContact CG-CE3 3.51Å; W107-W147 HydrophobicContact CG-CH2 4.05Å; W107-W147 AromaticContact CG-CZ3 3.55Å; W107-W147 HydrophobicContact CG-CZ3 3.55Å; W107-W147 HydrophobicContact CH2-CB 4.12Å; W107-W147 HydrophobicContact CZ2-CB 4.04Å; W107-W147 HydrophobicContact CZ3-CB 4.39Å; W107-W147 AromaticContact NE1-CE3 3.85Å; R109-W147 HydrophobicContact CB-CH2 3.69Å; R109-W147 HydrophobicContact CB-CZ2 4.47Å; R109-W147 HydrophobicContact CG-CH2 3.67Å; R109-W147 HydrophobicContact CG-CZ3 4.11Å; I134-W147 CarbonylContact C-O 3.51Å; I134-W147 VanDerWaalsContact CA-O 3.27Å; I134-W147 WeakPolarHBondContact CA-O 3.35Å; L135-W147 HydrophobicContact CB-CB 4.27Å; L135-W147 PolarHBondContact N-O 2.94Å; L135-W147 WeakPolarHBondContact O-CB 3.31Å; L135-W147 PolarHBondContact O-N 3.01Å; S137-W147 PolarHBondContact OG-NE1 2.91Å; L145-W147 HydrophobicContact CB-CH2 4.45Å; L145-W147 HydrophobicContact CB-CZ2 3.64Å; L145-W147 HydrophobicContact CD1-CH2 3.84Å; L145-W147 HydrophobicContact CD1-CZ2 3.44Å; L145-W147 VanDerWaalsContact CD1-CZ2 3.44Å; L145-W147 HydrophobicContact CG-CZ2 4.18Å; W147-P156 HydrophobicContact CD2-CB 4.39Å; W147-P156 HydrophobicContact CE3-CB 3.87Å; W147-P156 HydrophobicContact CH2-CB 4.26Å; W147-P156 HydrophobicContact CZ3-CB 3.79Å; W147-P156 HydrophobicContact CZ3-CG 4.27Å
148D93.6Very high95.3Very high45 Ų4552.8 Ų52.824%0.24126%0.26CS..EExtended strand (participates in β ladder)trans-88.4112.3166.3-179.3-14.3000109.2P133 I134 R150 A151 V157P133-D148 CarbonylContact O-C 3.58Å; P133-D148 WeakPolarHBondContact O-CA 3.32Å; I134-D148 HydrophobicContact CD1-CB 4.25Å; D148-R150 PolarHBondContact O-N 2.87Å; D148-R150 WeakPolarHBondContact OD1-CA 3.43Å; D148-R150 VanDerWaalsContact OD1-CB 3.29Å; D148-R150 WeakPolarHBondContact OD1-CB 3.23Å; D148-R150 PolarHBondContact OD1-N 2.92Å; D148-A151 HydrophobicContact CB-CB 3.74Å; D148-A151 PolarHBondContact O-N 2.99Å; D148-A151 PolarHBondContact OD1-N 2.9Å; D148-V157 HydrophobicContact CB-CG2 3.61Å
149A90.9Very high95.3Very high5 Ų556 Ų564%0.04128%0.279CS..SBendtrans-66.4-23.7179.600000112.8L95 P133L95-A149 HydrophobicContact CD1-CB 4.36Å; L95-A149 HydrophobicContact CD2-CB 3.82Å; P133-A149 WeakPolarHBondContact O-CB 3.42Å; P133-A149 PolarHBondContact O-N 2.7Å
150R88.7Confident95.3Very high127 Ų12756.7 Ų56.748%0.47928%0.283SS..SBendtrans-86.9-33.4179.2-54.5178.5-178.8172.72.7111P131 D148P131-R150 PolarHBondContact O-NH2 3.44Å; D148-R150 PolarHBondContact O-N 2.87Å; D148-R150 WeakPolarHBondContact OD1-CA 3.43Å; D148-R150 VanDerWaalsContact OD1-CB 3.29Å; D148-R150 WeakPolarHBondContact OD1-CB 3.23Å; D148-R150 PolarHBondContact OD1-N 2.92Å
151A87.7Confident95.2Very high26 Ų2659 Ų5922%0.21529%0.289CS..SBendtrans-66.8143.4179.600000112.7R105 D148 T153R105-A151 PolarHBondContact NE-O 2.79Å; R105-A151 PolarHBondContact NH2-O 2.96Å; D148-A151 HydrophobicContact CB-CB 3.74Å; D148-A151 PolarHBondContact O-N 2.99Å; D148-A151 PolarHBondContact OD1-N 2.9Å; A151-T153 HydrophobicContact CB-CG2 3.73Å; A151-T153 PolarHBondContact O-N 3.49Å
152R87.9Confident95.2Very high231 Ų23161.5 Ų61.587%0.87230%0.299SS*.  trans-93.244.3173.3-73.5178.5-175.2-145.43.4111
153T93Very high95.2Very high45 Ų4562 Ų6228%0.27630%0.303SS..  trans-110.9140.8-179.7179.20000111.2W107 A151 Y155W107-T153 PolarHBondContact NE1-O 3.01Å; A151-T153 HydrophobicContact CB-CG2 3.73Å; A151-T153 PolarHBondContact O-N 3.49Å; T153-Y155 VanDerWaalsContact C-N 3.26Å; T153-Y155 WeakPolarHBondContact CG2-O 3.27Å; T153-Y155 PolarHBondContact OG1-N 3.35Å; T153-Y155 VanDerWaalsContact OG1-N 3.14Å
154P94Very high95.2Very high71 Ų7169.3 Ų69.346%0.46133%0.327SS..SBendtrans-83.3-1.5171.235.4-35.7000113
155Y95.8Very high95.2Very high136 Ų13672.9 Ų72.953%0.53335%0.346SS..SBendtrans-101.3144.5-178.1-57.8-84.9000110.8R109 T153R109-Y155 VanDerWaalsContact NH2-CD1 3.3Å; T153-Y155 VanDerWaalsContact C-N 3.26Å; T153-Y155 WeakPolarHBondContact CG2-O 3.27Å; T153-Y155 PolarHBondContact OG1-N 3.35Å; T153-Y155 VanDerWaalsContact OG1-N 3.14Å
156P97Very high95.2Very high26 Ų2673.2 Ų73.217%0.16935%0.349CS..  trans-66150.8170.231-34.2000109.4L145 V146 W147 Q158 T159L145-P156 HydrophobicContact CB-CB 4.37Å; L145-P156 HydrophobicContact CD2-CG 4.38Å; V146-P156 CarbonylContact O-C 3.58Å; V146-P156 VanDerWaalsContact O-CA 3.27Å; V146-P156 WeakPolarHBondContact O-CA 3.37Å; V146-P156 WeakPolarHBondContact O-CB 3.22Å; W147-P156 HydrophobicContact CD2-CB 4.39Å; W147-P156 HydrophobicContact CE3-CB 3.87Å; W147-P156 HydrophobicContact CH2-CB 4.26Å; W147-P156 HydrophobicContact CZ3-CB 3.79Å; W147-P156 HydrophobicContact CZ3-CG 4.27Å; P156-Q158 VanDerWaalsContact C-N 3.32Å; P156-T159 WeakPolarHBondContact CG-OG1 3.49Å
157V94.6Very high95.2Very high93 Ų9372.7 Ų72.756%0.56435%0.346SS*.SBendtrans-69.1-36.5171.1179.70000110.3V146 D148V146-V157 PolarHBondContact O-N 3.08Å; D148-V157 HydrophobicContact CB-CG2 3.61Å
158Q95.7Very high95.3Very high112 Ų11273.2 Ų73.252%0.52335%0.349SS..EExtended strand (participates in β ladder)trans-145.9142.4178.9-1731751.600110.6V146 P156 I160V146-Q158 HydrophobicContact CB-CB 3.93Å; V146-Q158 HydrophobicContact CG2-CB 3.8Å; V146-Q158 HydrophobicContact CG2-CG 4.46Å; V146-Q158 PolarHBondContact N-O 2.87Å; P156-Q158 VanDerWaalsContact C-N 3.32Å; Q158-I160 HydrophobicContact CG-CG1 4.16Å
159T97.9Very high95.5Very high66 Ų6671.5 Ų71.541%0.40534%0.34SS..EExtended strand (participates in β ladder)trans-119.8110.1175.6-62.10000108.6M143 L145 P156 H161M143-T159 HydrophobicContact SD-CG2 3.79Å; L145-T159 HydrophobicContact CD2-CG2 3.66Å; P156-T159 WeakPolarHBondContact CG-OG1 3.49Å; T159-H161 PolarHBondContact O-ND1 2.71Å
160I97.9Very high95.9Very high15 Ų1571.9 Ų71.98%0.07734%0.343CS..EExtended strand (participates in β ladder)trans-100.1122.8176.5-58.7167.8000107.3V144 Q158 E162 Y189V144-I160 HydrophobicContact CB-CB 4.07Å; V144-I160 HydrophobicContact CG1-CD1 4.44Å; V144-I160 PolarHBondContact N-O 2.92Å; V144-I160 PolarHBondContact O-N 2.47Å; Q158-I160 HydrophobicContact CG-CG1 4.16Å; I160-E162 HydrophobicContact CG2-CG 4.4Å; I160-Y189 HydrophobicContact CD1-CD1 4.4Å; I160-Y189 HydrophobicContact CG2-CD1 4.24Å; I160-Y189 HydrophobicContact CG2-CE1 3.38Å; I160-Y189 HydrophobicContact CG2-CE2 4.43Å; I160-Y189 WeakPolarHBondContact CG2-OH 3.5Å
161H97.8Very high96.3Very high116 Ų11666.5 Ų66.554%0.53733%0.325SS..  trans-134.528.4-165.756.9-83.8000112.5M143 T159M143-H161 HydrophobicContact CE-CB 3.86Å; M143-H161 HydrophobicContact SD-CB 3.51Å; M143-H161 VanDerWaalsContact SD-CB 3.51Å; T159-H161 PolarHBondContact O-ND1 2.71Å
162E98.2Very high96.7Very high94 Ų9467.3 Ų67.344%0.43932%0.324SS..  trans-78.5-25.6-176.2-60-64.1163.500112.8I160 R187 M196I160-E162 HydrophobicContact CG2-CG 4.4Å; E162-R187 PolarHBondContact O-NH2 2.85Å; E162-M196 HydrophobicContact CB-CE 4.28Å; E162-M196 HydrophobicContact CB-SD 3.81Å; E162-M196 HydrophobicContact CG-CE 4.08Å; E162-M196 HydrophobicContact CG-SD 3.62Å
163A98.4Very high96.9Very high14 Ų1460.1 Ų60.112%0.11630%0.297CS..  trans-69.5138.9178.100000111.5V167A163-V167 HydrophobicContact CB-CG2 3.42Å; A163-V167 VanDerWaalsContact CB-CG2 3.42Å
164R98.2Very high96.8Very high213 Ų21365.5 Ų65.580%0.80431%0.312SS*.SBendtrans-94.3-3.4-176.7-61.1-178.9-175.8167.44.2113.4D183R164-D183 HydrophobicContact CB-CB 4.18Å; R164-D183 PolarHBondContact N-OD2 3.36Å
165D98.4Very high96.6Very high77 Ų7763.9 Ų63.941%0.41230%0.298SS..SBendtrans-153.4176.9179.3-153.7-27.2000108.5G142 V167 V182 D183G142-D165 WeakPolarHBondContact CA-O 3.44Å; D165-V167 PolarHBondContact O-N 2.74Å; D165-V182 HydrophobicContact CB-CB 4.09Å; D165-D183 HydrophobicContact CB-CB 3.92Å
166S98.7Very high96.5Very high13 Ų1358.9 Ų58.99%0.09128%0.28CS..  trans-41.6123.3179.4174.50000113.1N115 T168 S181 V182N115-S166 PolarHBondContact ND2-OG 3.21Å; S166-T168 PolarHBondContact O-N 2.99Å; S166-S181 VanDerWaalsContact O-CA 3.26Å; S166-S181 WeakPolarHBondContact O-CA 3.09Å; S166-S181 WeakPolarHBondContact O-CB 3.43Å; S166-V182 PolarHBondContact O-N 3.26Å
167V98.9Very high96.5Very high1 Ų158 Ų581%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-85.7106.6171.4-1760000108.1N115 T138 G139 V144 A163 D165 G180N115-V167 WeakPolarHBondContact CB-O 3.25Å; N115-V167 PolarHBondContact ND2-O 3.47Å; T138-V167 HydrophobicContact CG2-CG1 3.75Å; T138-V167 PolarHBondContact OG1-O 3.37Å; T138-V167 VanDerWaalsContact OG1-O 3.09Å; G139-V167 PolarHBondContact O-N 3.14Å; V144-V167 HydrophobicContact CG2-CB 4.37Å; V144-V167 HydrophobicContact CG2-CG1 3.91Å; V144-V167 HydrophobicContact CG2-CG2 4.15Å; A163-V167 HydrophobicContact CB-CG2 3.42Å; A163-V167 VanDerWaalsContact CB-CG2 3.42Å; D165-V167 PolarHBondContact O-N 2.74Å; V167-G180 CarbonylContact C-O 3.59Å
168T98.6Very high96.7Very high12 Ų1253.6 Ų53.67%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-79.3-30.6-168.258.20000112.6S166 G180 V182 V205 K249S166-T168 PolarHBondContact O-N 2.99Å; T168-G180 PolarHBondContact N-O 2.85Å; T168-G180 PolarHBondContact OG1-O 3.07Å; T168-G180 VanDerWaalsContact OG1-O 3.13Å; T168-V182 HydrophobicContact CG2-CG2 3.58Å; T168-V205 WeakPolarHBondContact CB-O 3.09Å; T168-V205 VanDerWaalsContact CG2-O 3.23Å; T168-V205 WeakPolarHBondContact CG2-O 3.1Å; T168-V205 PolarHBondContact OG1-O 3.11Å; T168-K249 VanDerWaalsContact O-CE 3.31Å; T168-K249 WeakPolarHBondContact O-CE 3.44Å; T168-K249 PolarHBondContact O-NZ 2.88Å
169C98.1Very high96.8Very high8 Ų848.2 Ų48.25%0.05422%0.222CC..EExtended strand (participates in β ladder)trans-158.7162-173.754.50000111.7G180 S207 V208C169-G180 PolarHBondContact O-N 3.37Å; C169-G180 VanDerWaalsContact O-N 3.17Å; C169-S207 VanDerWaalsContact SG-C 3.56Å; C169-S207 WeakPolarHBondContact SG-CA 3.41Å; C169-V208 HydrophobicContact CB-CG2 4.48Å; C169-V208 PolarHBondContact SG-N 2.96Å; C169-V208 VanDerWaalsContact SG-N 3.43Å
170C97.9Very high96.8Very high14 Ų1445.1 Ų45.110%0.09520%0.203CC..EExtended strand (participates in β ladder)trans-141.5153.4166.966.60000110.9T138 V178 T179T138-C170 HydrophobicContact CG2-CB 3.71Å; C170-V178 CarbonylContact C-O 3.5Å; C170-V178 WeakPolarHBondContact CA-O 3.49Å; C170-T179 HydrophobicContact CB-CG2 4.07Å
171A97.6Very high96.9Very high13 Ų1344.4 Ų44.411%0.10720%0.199CC..EExtended strand (participates in β ladder)trans-127.8155.8169.400000109I177 V178 V208A171-I177 WeakPolarHBondContact O-CA 3.45Å; A171-V178 PolarHBondContact N-O 2.95Å; A171-V178 PolarHBondContact O-N 3.28Å; A171-V208 HydrophobicContact CB-CG2 4.09Å
172F95.3Very high96.9Very high43 Ų4341 Ų4119%0.18919%0.187CC..EExtended strand (participates in β ladder)trans-140.6137.1176.9168.8-97.7000110.2L118 I120 P122 R174 Q176 I177 I191L118-F172 HydrophobicContact CD2-CB 3.6Å; I120-F172 HydrophobicContact CB-CB 4.41Å; I120-F172 HydrophobicContact CB-CD1 3.59Å; I120-F172 HydrophobicContact CB-CD2 3.98Å; I120-F172 HydrophobicContact CB-CE1 3.71Å; I120-F172 HydrophobicContact CB-CE2 4.08Å; I120-F172 HydrophobicContact CB-CG 3.72Å; I120-F172 HydrophobicContact CB-CZ 3.93Å; I120-F172 HydrophobicContact CD1-CD2 4.25Å; I120-F172 HydrophobicContact CD1-CE2 4.19Å; I120-F172 HydrophobicContact CG2-CB 3.42Å; I120-F172 VanDerWaalsContact CG2-CB 3.42Å; I120-F172 HydrophobicContact CG2-CD1 3.49Å; I120-F172 VanDerWaalsContact CG2-CD1 3.49Å; I120-F172 HydrophobicContact CG2-CD2 3.79Å; I120-F172 HydrophobicContact CG2-CE1 4.16Å; I120-F172 HydrophobicContact CG2-CE2 4.4Å; I120-F172 HydrophobicContact CG2-CG 3.27Å; P122-F172 HydrophobicContact CB-CE2 4.3Å; P122-F172 HydrophobicContact CB-CZ 4.11Å; F172-R174 WeakPolarHBondContact CZ-O 3.24Å; F172-Q176 WeakPolarHBondContact CA-O 3.24Å; F172-Q176 WeakPolarHBondContact CD2-O 3.47Å; F172-I177 HydrophobicContact CD2-CG1 3.82Å; F172-I191 HydrophobicContact CD2-CD1 4.41Å; F172-I191 HydrophobicContact CE2-CD1 3.77Å
173R93.1Very high96.9Very high80 Ų8037.8 Ų37.830%0.30217%0.172SC..EExtended strand (participates in β ladder)trans-151.4140.1164.3-174.1168.8-82127.4-2.6110.6H175 Q176 I210 T211R173-H175 PolarHBondContact O-N 2.79Å; R173-Q176 PolarHBondContact N-O 3.32Å; R173-Q176 PolarHBondContact O-N 2.73Å; R173-I210 HydrophobicContact CB-CD1 4.19Å; R173-I210 HydrophobicContact CB-CG2 3.57Å; R173-I210 VanDerWaalsContact NH1-C 3.3Å; R173-I210 PolarHBondContact NH1-O 3.23Å; R173-T211 VanDerWaalsContact CD-O 3.3Å; R173-T211 WeakPolarHBondContact CD-O 3.45Å; R173-T211 PolarHBondContact NH1-O 3.35Å
174R89.8Confident96.9Very high159 Ų15942.7 Ų42.760%0.619%0.188SC*.THydrogen-bonded Turntrans55.3-91.4-176.7-67.7176.3166.7174.6-4.3112.8F172F172-R174 WeakPolarHBondContact CZ-O 3.24Å
175H91.1Very high97Very high36 Ų3632.9 Ų32.917%0.16715%0.152CC..THydrogen-bonded Turntrans-134.413.7-178.156.4-83.2000111.7R173 D190 I191 R192R173-H175 PolarHBondContact O-N 2.79Å; H175-D190 IonicContact CD2-OD1 3.2Å; H175-D190 PolarHBondContact CD2-OD1 2.96Å; H175-D190 IonicContact CD2-OD2 3.42Å; H175-D190 IonicContact NE2-OD2 3.8Å; H175-I191 HydrophobicContact CB-CB 4.47Å; H175-I191 WeakPolarHBondContact O-CB 3.26Å; H175-I191 WeakPolarHBondContact O-CG1 3.38Å; H175-I191 PolarHBondContact O-N 2.82Å; H175-R192 HydrophobicContact CB-CG 3.92Å
176Q94Very high97Very high32 Ų3229.4 Ų29.415%0.1513%0.133CC..EExtended strand (participates in β ladder)trans-111.6128.6-179.9-69.1179.3-15.600109.7F172 R173 Y189 I210F172-Q176 WeakPolarHBondContact CA-O 3.24Å; F172-Q176 WeakPolarHBondContact CD2-O 3.47Å; R173-Q176 PolarHBondContact N-O 3.32Å; R173-Q176 PolarHBondContact O-N 2.73Å; Q176-Y189 WeakPolarHBondContact CA-O 3.26Å; Q176-I210 HydrophobicContact CB-CD1 4.34Å; Q176-I210 VanDerWaalsContact OE1-CD1 3.28Å
177I96.4Very high96.9Very high7 Ų728.8 Ų28.84%0.03613%0.129CC..EExtended strand (participates in β ladder)trans-104.1129.8165.9-59.1165.2000106.4I120 L136 A171 F172 T179 T188 Y189 I191I120-I177 HydrophobicContact CD1-CD1 4.17Å; L136-I177 HydrophobicContact CD1-CD1 3.82Å; L136-I177 HydrophobicContact CD1-CG1 3.98Å; L136-I177 HydrophobicContact CD1-CG2 3.97Å; L136-I177 HydrophobicContact CD2-CD1 4.3Å; A171-I177 WeakPolarHBondContact O-CA 3.45Å; F172-I177 HydrophobicContact CD2-CG1 3.82Å; I177-T179 HydrophobicContact CG2-CG2 3.99Å; I177-T188 CarbonylContact O-C 3.51Å; I177-T188 WeakPolarHBondContact O-CA 3.35Å; I177-Y189 HydrophobicContact CB-CD2 4.25Å; I177-Y189 HydrophobicContact CG2-CD2 4.3Å; I177-Y189 PolarHBondContact N-O 3.23Å; I177-Y189 WeakPolarHBondContact O-CD2 3.3Å; I177-Y189 PolarHBondContact O-N 3.42Å; I177-I191 HydrophobicContact CD1-CD1 3.89Å; I177-I191 HydrophobicContact CD1-CG1 4.14Å; I177-I191 HydrophobicContact CG1-CD1 4.01Å; I177-I191 HydrophobicContact CG1-CG1 4.39Å
178V97.9Very high96.8Very high0 Ų029.2 Ų29.20%013%0.131CC..EExtended strand (participates in β ladder)trans-115.7132.4175.6-174.30000107.6C170 A171 V186 R187 T188 V208 F217C170-V178 CarbonylContact C-O 3.5Å; C170-V178 WeakPolarHBondContact CA-O 3.49Å; A171-V178 PolarHBondContact N-O 2.95Å; A171-V178 PolarHBondContact O-N 3.28Å; V178-V186 HydrophobicContact CG1-CG1 3.63Å; V178-R187 CarbonylContact C-O 3.58Å; V178-R187 VanDerWaalsContact CA-O 3.3Å; V178-R187 WeakPolarHBondContact CA-O 3.29Å; V178-T188 HydrophobicContact CG2-CG2 4.44Å; V178-V208 HydrophobicContact CG1-CB 4.22Å; V178-V208 HydrophobicContact CG1-CG2 4.28Å; V178-F217 HydrophobicContact CB-CD1 4.49Å; V178-F217 HydrophobicContact CB-CE1 4.46Å; V178-F217 HydrophobicContact CG1-CD1 4.22Å; V178-F217 HydrophobicContact CG1-CG 4.47Å; V178-F217 HydrophobicContact CG2-CD1 3.6Å; V178-F217 HydrophobicContact CG2-CE1 3.21Å; V178-F217 HydrophobicContact CG2-CZ 3.85Å
179T98.7Very high96.7Very high0 Ų029.7 Ų29.70%013%0.132CC..EExtended strand (participates in β ladder)trans-126.6146.6179.769.90000109.9V144 C170 I177 V186 R187 Y189V144-T179 HydrophobicContact CG2-CG2 3.97Å; C170-T179 HydrophobicContact CB-CG2 4.07Å; I177-T179 HydrophobicContact CG2-CG2 3.99Å; T179-V186 CarbonylContact O-C 3.57Å; T179-V186 VanDerWaalsContact O-CA 3.25Å; T179-V186 WeakPolarHBondContact O-CA 3.28Å; T179-R187 PolarHBondContact N-O 3.47Å; T179-R187 PolarHBondContact O-N 3.32Å; T179-Y189 HydrophobicContact CG2-CD2 4.26Å; T179-Y189 HydrophobicContact CG2-CE2 3.71Å
180G98.6Very high96.5Very high0 Ų030.4 Ų30.40%014%0.136CC..EExtended strand (participates in β ladder)trans-120.4141.3173.100000110.3V167 T168 C169V167-G180 CarbonylContact C-O 3.59Å; T168-G180 PolarHBondContact N-O 2.85Å; T168-G180 PolarHBondContact OG1-O 3.07Å; T168-G180 VanDerWaalsContact OG1-O 3.13Å; C169-G180 PolarHBondContact O-N 3.37Å; C169-G180 VanDerWaalsContact O-N 3.17Å
181S98.7Very high96.2Very high0 Ų032.3 Ų32.30%014%0.144CC..EExtended strand (participates in β ladder)trans-137.4161.3-176.8380000114S166 D183 R184 C185 R187 V205S166-S181 VanDerWaalsContact O-CA 3.26Å; S166-S181 WeakPolarHBondContact O-CA 3.09Å; S166-S181 WeakPolarHBondContact O-CB 3.43Å; S181-D183 VanDerWaalsContact CB-OD1 3.23Å; S181-D183 WeakPolarHBondContact CB-OD1 3.49Å; S181-D183 PolarHBondContact O-N 2.94Å; S181-D183 VanDerWaalsContact OG-CG 3.26Å; S181-D183 PolarHBondContact OG-OD1 3.06Å; S181-D183 PolarHBondContact OG-OD2 2.83Å; S181-R184 PolarHBondContact O-N 2.76Å; S181-R184 VanDerWaalsContact O-N 3.15Å; S181-C185 PolarHBondContact N-O 2.8Å; S181-C185 PolarHBondContact OG-O 3.1Å; S181-R187 PolarHBondContact OG-NH1 3.27Å; S181-V205 PolarHBondContact O-N 3.29Å
182V98.6Very high95.9Very high46 Ų4640.8 Ų40.828%0.27917%0.173SC..THydrogen-bonded Turntrans-66.8-21.9177.6178.80000112D165 S166 T168 R184 P204D165-V182 HydrophobicContact CB-CB 4.09Å; S166-V182 PolarHBondContact O-N 3.26Å; T168-V182 HydrophobicContact CG2-CG2 3.58Å; V182-R184 WeakPolarHBondContact O-CG 3.27Å; V182-R184 PolarHBondContact O-N 3.15Å; V182-P204 HydrophobicContact CG1-CB 4.25Å
183D98.6Very high95.8Very high26 Ų2647.3 Ų47.314%0.13920%0.197CC..THydrogen-bonded Turntrans-66.13.7170.871.71.9000114.1R164 D165 S181 C185 R187R164-D183 HydrophobicContact CB-CB 4.18Å; R164-D183 PolarHBondContact N-OD2 3.36Å; D165-D183 HydrophobicContact CB-CB 3.92Å; S181-D183 VanDerWaalsContact CB-OD1 3.23Å; S181-D183 WeakPolarHBondContact CB-OD1 3.49Å; S181-D183 PolarHBondContact O-N 2.94Å; S181-D183 VanDerWaalsContact OG-CG 3.26Å; S181-D183 PolarHBondContact OG-OD1 3.06Å; S181-D183 PolarHBondContact OG-OD2 2.83Å; D183-C185 VanDerWaalsContact C-N 3.26Å; D183-C185 PolarHBondContact O-N 2.92Å; D183-C185 WeakPolarHBondContact OD1-CB 3.45Å; D183-C185 PolarHBondContact OD1-N 2.76Å; D183-R187 IonicContact OD1-NH1 2.98Å; D183-R187 IonicContact OD2-CZ 3.36Å; D183-R187 VanDerWaalsContact OD2-CZ 3.31Å; D183-R187 IonicContact OD2-NH1 2.95Å; D183-R187 PolarHBondContact OD2-NH1 3.5Å; D183-R187 IonicContact OD2-NH2 3.69Å; D183-R187 PolarHBondContact OD2-NH2 2.66Å
184R98.7Very high95.8Very high116 Ų11646.9 Ų46.944%0.43822%0.217SC..SBendtrans73.716.1173.5-39179.4-157.41782.8113.8S181 V182 Y200 V201 G202 Y203 P204S181-R184 PolarHBondContact O-N 2.76Å; S181-R184 VanDerWaalsContact O-N 3.15Å; V182-R184 WeakPolarHBondContact O-CG 3.27Å; V182-R184 PolarHBondContact O-N 3.15Å; R184-Y200 HydrophobicContact CB-CD2 4.26Å; R184-Y200 HydrophobicContact CB-CE2 3.76Å; R184-Y200 HydrophobicContact CG-CE2 4.48Å; R184-V201 WeakPolarHBondContact O-CB 3.4Å; R184-V201 PolarHBondContact O-N 2.92Å; R184-G202 VanDerWaalsContact CD-O 3.29Å; R184-G202 WeakPolarHBondContact CD-O 3.41Å; R184-Y203 WeakPolarHBondContact CA-O 3.45Å; R184-Y203 WeakPolarHBondContact CB-O 3.37Å; R184-P204 HydrophobicContact CG-CG 4.39Å
185C98.5Very high96.1Very high7 Ų744.8 Ų44.85%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-105.7150.4176.9-62.30000111.8S181 D183 E198 D199S181-C185 PolarHBondContact N-O 2.8Å; S181-C185 PolarHBondContact OG-O 3.1Å; D183-C185 VanDerWaalsContact C-N 3.26Å; D183-C185 PolarHBondContact O-N 2.92Å; D183-C185 WeakPolarHBondContact OD1-CB 3.45Å; D183-C185 PolarHBondContact OD1-N 2.76Å; C185-E198 HydrophobicContact CB-CG 3.83Å; C185-E198 PolarHBondContact SG-OE1 2.85Å; C185-E198 VanDerWaalsContact SG-OE1 3.33Å; C185-D199 VanDerWaalsContact CA-O 3.31Å; C185-D199 WeakPolarHBondContact CA-O 3.39Å
186V98.3Very high96.3Very high4 Ų446.5 Ų46.52%0.02422%0.223CC..EExtended strand (participates in β ladder)trans-106.7137.5159.2170.50000107.5V178 T179 E198 D199 V201 V205 V208 V219V178-V186 HydrophobicContact CG1-CG1 3.63Å; T179-V186 CarbonylContact O-C 3.57Å; T179-V186 VanDerWaalsContact O-CA 3.25Å; T179-V186 WeakPolarHBondContact O-CA 3.28Å; V186-E198 WeakPolarHBondContact O-CA 3.38Å; V186-D199 PolarHBondContact N-O 3.02Å; V186-D199 PolarHBondContact O-N 3.43Å; V186-V201 HydrophobicContact CB-CG2 4.38Å; V186-V201 HydrophobicContact CG2-CG2 3.76Å; V186-V205 HydrophobicContact CG2-CG1 4.46Å; V186-V205 HydrophobicContact CG2-CG2 4.08Å; V186-V208 HydrophobicContact CG2-CG1 4.18Å; V186-V219 HydrophobicContact CG2-CG1 3.81Å; V186-V219 HydrophobicContact CG2-CG2 3.82Å
187R98Very high96.4Very high0 Ų048.6 Ų48.60%024%0.238CC..EExtended strand (participates in β ladder)trans-123.1133.7176.5-62.8178179.683.23110.4E162 V178 T179 S181 D183 Y189 M196 T197 E198E162-R187 PolarHBondContact O-NH2 2.85Å; V178-R187 CarbonylContact C-O 3.58Å; V178-R187 VanDerWaalsContact CA-O 3.3Å; V178-R187 WeakPolarHBondContact CA-O 3.29Å; T179-R187 PolarHBondContact N-O 3.47Å; T179-R187 PolarHBondContact O-N 3.32Å; S181-R187 PolarHBondContact OG-NH1 3.27Å; D183-R187 IonicContact OD1-NH1 2.98Å; D183-R187 IonicContact OD2-CZ 3.36Å; D183-R187 VanDerWaalsContact OD2-CZ 3.31Å; D183-R187 IonicContact OD2-NH1 2.95Å; D183-R187 PolarHBondContact OD2-NH1 3.5Å; D183-R187 IonicContact OD2-NH2 3.69Å; D183-R187 PolarHBondContact OD2-NH2 2.66Å; R187-Y189 HydrophobicContact CB-CE2 3.69Å; R187-Y189 VanDerWaalsContact CD-OH 3.25Å; R187-Y189 WeakPolarHBondContact CD-OH 3.39Å; R187-M196 HydrophobicContact CB-CG 4.43Å; R187-M196 HydrophobicContact CB-SD 4.36Å; R187-M196 HydrophobicContact CG-SD 4.35Å; R187-T197 VanDerWaalsContact CA-O 3.28Å; R187-T197 WeakPolarHBondContact CA-O 3.37Å; R187-E198 HydrophobicContact CG-CB 4.2Å; R187-E198 HydrophobicContact CG-CG 4.04Å; R187-E198 IonicContact CZ-OE2 3.34Å; R187-E198 IonicContact NE-OE2 3.93Å; R187-E198 PolarHBondContact NE-OE2 2.91Å; R187-E198 IonicContact NH2-OE1 2.68Å; R187-E198 IonicContact NH2-OE2 2.78Å; R187-E198 PolarHBondContact NH2-OE2 2.76Å
188T97Very high96.4Very high10 Ų1052.1 Ų52.16%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-114.7122.4177.2-60.40000108.7I177 V178 M196 T197 F217I177-T188 CarbonylContact O-C 3.51Å; I177-T188 WeakPolarHBondContact O-CA 3.35Å; V178-T188 HydrophobicContact CG2-CG2 4.44Å; T188-M196 CarbonylContact O-C 3.59Å; T188-M196 VanDerWaalsContact O-CA 3.27Å; T188-M196 WeakPolarHBondContact O-CA 3.44Å; T188-T197 PolarHBondContact N-O 3.17Å; T188-T197 PolarHBondContact O-N 3.44Å; T188-F217 HydrophobicContact CG2-CE2 4.39Å; T188-F217 HydrophobicContact CG2-CZ 3.86Å; T188-F217 WeakPolarHBondContact OG1-CE2 3.29Å
189Y96.2Very high96.4Very high22 Ų2254.6 Ų54.69%0.08627%0.268CS..EExtended strand (participates in β ladder)trans-108.4114.6178.9-52.9-92.9000108.9I160 Q176 I177 T179 R187 M196I160-Y189 HydrophobicContact CD1-CD1 4.4Å; I160-Y189 HydrophobicContact CG2-CD1 4.24Å; I160-Y189 HydrophobicContact CG2-CE1 3.38Å; I160-Y189 HydrophobicContact CG2-CE2 4.43Å; I160-Y189 WeakPolarHBondContact CG2-OH 3.5Å; Q176-Y189 WeakPolarHBondContact CA-O 3.26Å; I177-Y189 HydrophobicContact CB-CD2 4.25Å; I177-Y189 HydrophobicContact CG2-CD2 4.3Å; I177-Y189 PolarHBondContact N-O 3.23Å; I177-Y189 WeakPolarHBondContact O-CD2 3.3Å; I177-Y189 PolarHBondContact O-N 3.42Å; T179-Y189 HydrophobicContact CG2-CD2 4.26Å; T179-Y189 HydrophobicContact CG2-CE2 3.71Å; R187-Y189 HydrophobicContact CB-CE2 3.69Å; R187-Y189 VanDerWaalsContact CD-OH 3.25Å; R187-Y189 WeakPolarHBondContact CD-OH 3.39Å; Y189-M196 HydrophobicContact CD1-CB 3.86Å; Y189-M196 HydrophobicContact CD1-CG 3.66Å; Y189-M196 HydrophobicContact CD1-SD 4.14Å; Y189-M196 HydrophobicContact CE1-CB 4.06Å; Y189-M196 HydrophobicContact CE1-CG 3.47Å; Y189-M196 VanDerWaalsContact CE1-CG 3.47Å; Y189-M196 HydrophobicContact CE1-SD 3.34Å; Y189-M196 WeakPolarHBondContact CE1-SD 3.47Å; Y189-M196 HydrophobicContact CG-CG 4.4Å
190D93.9Very high96.3Very high24 Ų2461.7 Ų61.713%0.12830%0.295CS..EExtended strand (participates in β ladder)trans-86.1108.1170.3-174.6-37.7000109.1H175 R192 R193 G194 E195H175-D190 IonicContact CD2-OD1 3.2Å; H175-D190 PolarHBondContact CD2-OD1 2.96Å; H175-D190 IonicContact CD2-OD2 3.42Å; H175-D190 IonicContact NE2-OD2 3.8Å; D190-R192 VanDerWaalsContact C-N 3.26Å; D190-R192 PolarHBondContact O-N 3.47Å; D190-R192 WeakPolarHBondContact OD1-CA 3.36Å; D190-R192 WeakPolarHBondContact OD1-CB 3.23Å; D190-R192 PolarHBondContact OD1-N 3.42Å; D190-R193 HydrophobicContact CB-CB 4.12Å; D190-R193 PolarHBondContact OD1-N 3.32Å; D190-R193 WeakPolarHBondContact OD2-CD 3.49Å; D190-R193 IonicContact OD2-NE 3.69Å; D190-G194 WeakPolarHBondContact O-CA 3.2Å; D190-G194 PolarHBondContact O-N 3.18Å; D190-E195 PolarHBondContact N-O 3.24Å; D190-E195 PolarHBondContact O-N 3.27Å
191I91.9Very high96.2Very high54 Ų5462.4 Ų62.428%0.27730%0.3SS..THydrogen-bonded Turntrans-64.4-31.7-177.9-60.9171.3000111.7I120 P122 F123 F172 H175 I177I120-I191 HydrophobicContact CD1-CD1 4.34Å; P122-I191 HydrophobicContact CB-CD1 3.78Å; P122-I191 HydrophobicContact CB-CG2 4.4Å; P122-I191 HydrophobicContact CG-CD1 4.3Å; F123-I191 HydrophobicContact CZ-CG2 4.45Å; F172-I191 HydrophobicContact CD2-CD1 4.41Å; F172-I191 HydrophobicContact CE2-CD1 3.77Å; H175-I191 HydrophobicContact CB-CB 4.47Å; H175-I191 WeakPolarHBondContact O-CB 3.26Å; H175-I191 WeakPolarHBondContact O-CG1 3.38Å; H175-I191 PolarHBondContact O-N 2.82Å; I177-I191 HydrophobicContact CD1-CD1 3.89Å; I177-I191 HydrophobicContact CD1-CG1 4.14Å; I177-I191 HydrophobicContact CG1-CD1 4.01Å; I177-I191 HydrophobicContact CG1-CG1 4.39Å
192R91.6Very high96.2Very high191 Ų19163.2 Ų63.272%0.72131%0.308SS*.THydrogen-bonded Turntrans-79.4-40-176.9-74.5-179.1173.9177-2.2111.8H175 D190H175-R192 HydrophobicContact CB-CG 3.92Å; D190-R192 VanDerWaalsContact C-N 3.26Å; D190-R192 PolarHBondContact O-N 3.47Å; D190-R192 WeakPolarHBondContact OD1-CA 3.36Å; D190-R192 WeakPolarHBondContact OD1-CB 3.23Å; D190-R192 PolarHBondContact OD1-N 3.42Å
193R92.8Very high96.2Very high180 Ų18066.1 Ų66.168%0.67932%0.315SS*.THydrogen-bonded Turntrans-82.8-24178.6-63.8-175.6173.3-168.30.2112.5D190 E195D190-R193 HydrophobicContact CB-CB 4.12Å; D190-R193 PolarHBondContact OD1-N 3.32Å; D190-R193 WeakPolarHBondContact OD2-CD 3.49Å; D190-R193 IonicContact OD2-NE 3.69Å; R193-E195 HydrophobicContact CB-CB 4.13Å; R193-E195 HydrophobicContact CB-CG 3.9Å; R193-E195 WeakPolarHBondContact CD-OE2 3.4Å; R193-E195 IonicContact NH1-OE2 3.64Å
194G92.9Very high96.2Very high71 Ų7166 Ų6673%0.73232%0.316SS*.THydrogen-bonded Turntrans6926.3-171.100000112.1D190D190-G194 WeakPolarHBondContact O-CA 3.2Å; D190-G194 PolarHBondContact O-N 3.18Å
195E95.5Very high96.2Very high115 Ų11560.6 Ų60.654%0.53730%0.295SS..EExtended strand (participates in β ladder)trans-105.5148.4-177.6-70.4175.2171.100110.1D190 R193D190-E195 PolarHBondContact N-O 3.24Å; D190-E195 PolarHBondContact O-N 3.27Å; R193-E195 HydrophobicContact CB-CB 4.13Å; R193-E195 HydrophobicContact CB-CG 3.9Å; R193-E195 WeakPolarHBondContact CD-OE2 3.4Å; R193-E195 IonicContact NH1-OE2 3.64Å
196M96.1Very high96.2Very high72 Ų7260.4 Ų60.436%0.35529%0.294SS..EExtended strand (participates in β ladder)trans-124.4134.9171.1-179.6-162.869.300109.3E162 R187 T188 Y189E162-M196 HydrophobicContact CB-CE 4.28Å; E162-M196 HydrophobicContact CB-SD 3.81Å; E162-M196 HydrophobicContact CG-CE 4.08Å; E162-M196 HydrophobicContact CG-SD 3.62Å; R187-M196 HydrophobicContact CB-CG 4.43Å; R187-M196 HydrophobicContact CB-SD 4.36Å; R187-M196 HydrophobicContact CG-SD 4.35Å; T188-M196 CarbonylContact O-C 3.59Å; T188-M196 VanDerWaalsContact O-CA 3.27Å; T188-M196 WeakPolarHBondContact O-CA 3.44Å; Y189-M196 HydrophobicContact CD1-CB 3.86Å; Y189-M196 HydrophobicContact CD1-CG 3.66Å; Y189-M196 HydrophobicContact CD1-SD 4.14Å; Y189-M196 HydrophobicContact CE1-CB 4.06Å; Y189-M196 HydrophobicContact CE1-CG 3.47Å; Y189-M196 VanDerWaalsContact CE1-CG 3.47Å; Y189-M196 HydrophobicContact CE1-SD 3.34Å; Y189-M196 WeakPolarHBondContact CE1-SD 3.47Å; Y189-M196 HydrophobicContact CG-CG 4.4Å
197T96.1Very high96.2Very high75 Ų7560.4 Ų60.446%0.4629%0.294SS..EExtended strand (participates in β ladder)trans-110.1152.1164.560.90000110.4R187 T188R187-T197 VanDerWaalsContact CA-O 3.28Å; R187-T197 WeakPolarHBondContact CA-O 3.37Å; T188-T197 PolarHBondContact N-O 3.17Å; T188-T197 PolarHBondContact O-N 3.44Å
198E96.8Very high96.2Very high82 Ų8260.9 Ų60.938%0.38330%0.297SS..EExtended strand (participates in β ladder)trans-130.6126.1177.7-178.9178.3120.900109.5C185 V186 R187C185-E198 HydrophobicContact CB-CG 3.83Å; C185-E198 PolarHBondContact SG-OE1 2.85Å; C185-E198 VanDerWaalsContact SG-OE1 3.33Å; V186-E198 WeakPolarHBondContact O-CA 3.38Å; R187-E198 HydrophobicContact CG-CB 4.2Å; R187-E198 HydrophobicContact CG-CG 4.04Å; R187-E198 IonicContact CZ-OE2 3.34Å; R187-E198 IonicContact NE-OE2 3.93Å; R187-E198 PolarHBondContact NE-OE2 2.91Å; R187-E198 IonicContact NH2-OE1 2.68Å; R187-E198 IonicContact NH2-OE2 2.78Å; R187-E198 PolarHBondContact NH2-OE2 2.76Å
199D96.3Very high96.3Very high51 Ų5161.4 Ų61.427%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-116.3123.7177.3-64.2-58.3000110C185 V186 V201C185-D199 VanDerWaalsContact CA-O 3.31Å; C185-D199 WeakPolarHBondContact CA-O 3.39Å; V186-D199 PolarHBondContact N-O 3.02Å; V186-D199 PolarHBondContact O-N 3.43Å; D199-V201 PolarHBondContact O-N 2.8Å
200Y97.3Very high96.3Very high149 Ų14960.7 Ų60.758%0.58430%0.299SS*.EExtended strand (participates in β ladder)trans-84111.5177.4-178.9-104.9000110.8R184R184-Y200 HydrophobicContact CB-CD2 4.26Å; R184-Y200 HydrophobicContact CB-CE2 3.76Å; R184-Y200 HydrophobicContact CG-CE2 4.48Å
201V97.8Very high96.5Very high16 Ų1659.7 Ų59.710%0.09729%0.293CS..  trans-83.7-25.2-176.6-175.30000112R184 V186 D199 V205 V219 T221 F229R184-V201 WeakPolarHBondContact O-CB 3.4Å; R184-V201 PolarHBondContact O-N 2.92Å; V186-V201 HydrophobicContact CB-CG2 4.38Å; V186-V201 HydrophobicContact CG2-CG2 3.76Å; D199-V201 PolarHBondContact O-N 2.8Å; V201-V205 HydrophobicContact CG2-CG2 4.28Å; V201-V219 HydrophobicContact CG1-CG1 4.38Å; V201-V219 HydrophobicContact CG2-CG1 4.3Å; V201-T221 HydrophobicContact CG1-CG2 3.7Å; V201-F229 HydrophobicContact CG1-CE2 4.28Å; V201-F229 HydrophobicContact CG1-CZ 4.17Å; V201-F229 HydrophobicContact CG2-CE2 4.36Å; V201-F229 HydrophobicContact CG2-CZ 4.45Å
202G97.6Very high96.6Very high17 Ų1760.6 Ų60.618%0.17530%0.298CS..SBendtrans95.5-14.3178.700000115.6R184R184-G202 VanDerWaalsContact CD-O 3.29Å; R184-G202 WeakPolarHBondContact CD-O 3.41Å
203Y98.3Very high96.8Very high107 Ų10755.2 Ų55.242%0.4228%0.284SS..SBendtrans-138.2151.6179.9-60.4-82.4000111.5R184 V205 D223R184-Y203 WeakPolarHBondContact CA-O 3.45Å; R184-Y203 WeakPolarHBondContact CB-O 3.37Å; Y203-V205 PolarHBondContact O-N 3.27Å; Y203-D223 HydrophobicContact CD1-CB 3.59Å; Y203-D223 HydrophobicContact CD2-CB 4.15Å; Y203-D223 VanDerWaalsContact CD2-OD2 3.32Å; Y203-D223 WeakPolarHBondContact CD2-OD2 3.16Å; Y203-D223 HydrophobicContact CE1-CB 3.73Å; Y203-D223 HydrophobicContact CE2-CB 4.29Å; Y203-D223 VanDerWaalsContact CE2-OD2 3.23Å; Y203-D223 WeakPolarHBondContact CE2-OD2 3.02Å; Y203-D223 HydrophobicContact CG-CB 3.79Å
204P98.6Very high96.9Very high24 Ų2447.3 Ų47.316%0.15626%0.256CS..  trans-55.2129.2178-27.736.3000112.1V182 R184 T221 Q222V182-P204 HydrophobicContact CG1-CB 4.25Å; R184-P204 HydrophobicContact CG-CG 4.39Å; P204-T221 VanDerWaalsContact O-CA 3.31Å; P204-T221 WeakPolarHBondContact O-CA 3.27Å; P204-Q222 HydrophobicContact CB-CB 4.39Å; P204-Q222 HydrophobicContact CB-CG 4.15Å; P204-Q222 VanDerWaalsContact CB-OE1 3.3Å; P204-Q222 PolarHBondContact O-N 3.23Å; P204-Q222 VanDerWaalsContact O-N 3.09Å
205V98.8Very high97Very high1 Ų149.7 Ų49.71%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-86.3134.9-177-1780000110.2T168 S181 V186 V201 Y203 V208 V219 T221T168-V205 WeakPolarHBondContact CB-O 3.09Å; T168-V205 VanDerWaalsContact CG2-O 3.23Å; T168-V205 WeakPolarHBondContact CG2-O 3.1Å; T168-V205 PolarHBondContact OG1-O 3.11Å; S181-V205 PolarHBondContact O-N 3.29Å; V186-V205 HydrophobicContact CG2-CG1 4.46Å; V186-V205 HydrophobicContact CG2-CG2 4.08Å; V201-V205 HydrophobicContact CG2-CG2 4.28Å; Y203-V205 PolarHBondContact O-N 3.27Å; V205-V208 HydrophobicContact CG1-CG1 3.76Å; V205-V219 HydrophobicContact CB-CG1 4.49Å; V205-V219 HydrophobicContact CG1-CG1 3.72Å; V205-V219 HydrophobicContact CG2-CG1 4.03Å; V205-T221 HydrophobicContact CG2-CG2 4.27Å
206T98.5Very high97.1Very high4 Ų445 Ų453%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-112.7-33.3-176.9560000113.1G220 Q222 N245 K249 M250T206-G220 PolarHBondContact N-O 2.77Å; T206-G220 VanDerWaalsContact OG1-C 3.24Å; T206-G220 PolarHBondContact OG1-O 2.87Å; T206-Q222 HydrophobicContact CG2-CG 3.61Å; T206-N245 PolarHBondContact OG1-ND2 3.05Å; T206-K249 WeakPolarHBondContact O-CG 3.4Å; T206-M250 PolarHBondContact OG1-O 2.81Å
207S98.5Very high97.1Very high4 Ų441.7 Ų41.73%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-147.4148.8176.944.50000111C169 V219 G220 M250 S252C169-S207 VanDerWaalsContact SG-C 3.56Å; C169-S207 WeakPolarHBondContact SG-CA 3.41Å; S207-V219 WeakPolarHBondContact O-CA 3.21Å; S207-G220 PolarHBondContact N-O 3.22Å; S207-G220 PolarHBondContact O-N 3.22Å; S207-M250 WeakPolarHBondContact CB-O 3.47Å; S207-M250 PolarHBondContact OG-O 3.14Å; S207-S252 PolarHBondContact OG-N 2.76Å; S207-S252 PolarHBondContact OG-OG 2.84Å
208V98.6Very high97.3Very high9 Ų938.1 Ų38.16%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-133145.6171.9-62.60000109.6C169 A171 V178 V186 V205 L218C169-V208 HydrophobicContact CB-CG2 4.48Å; C169-V208 PolarHBondContact SG-N 2.96Å; C169-V208 VanDerWaalsContact SG-N 3.43Å; A171-V208 HydrophobicContact CB-CG2 4.09Å; V178-V208 HydrophobicContact CG1-CB 4.22Å; V178-V208 HydrophobicContact CG1-CG2 4.28Å; V186-V208 HydrophobicContact CG2-CG1 4.18Å; V205-V208 HydrophobicContact CG1-CG1 3.76Å; V208-L218 CarbonylContact C-O 3.56Å; V208-L218 VanDerWaalsContact CA-O 3.3Å; V208-L218 WeakPolarHBondContact CA-O 3.3Å
209S98Very high97.3Very high21 Ų2134.3 Ų34.315%0.14717%0.172CC..EExtended strand (participates in β ladder)trans-143.7154170.7-76.40000109.3F217 L218S209-F217 CarbonylContact O-C 3.53Å; S209-F217 VanDerWaalsContact O-CA 3.25Å; S209-F217 WeakPolarHBondContact O-CA 3.42Å; S209-L218 PolarHBondContact N-O 3.23Å; S209-L218 PolarHBondContact O-N 2.82Å
210I97.5Very high97.5Very high7 Ų731.9 Ų31.94%0.03616%0.159CC..EExtended strand (participates in β ladder)trans-114.9149.6176.6-175.3177.5000108.5R173 Q176 C214 F217 L254R173-I210 HydrophobicContact CB-CD1 4.19Å; R173-I210 HydrophobicContact CB-CG2 3.57Å; R173-I210 VanDerWaalsContact NH1-C 3.3Å; R173-I210 PolarHBondContact NH1-O 3.23Å; Q176-I210 HydrophobicContact CB-CD1 4.34Å; Q176-I210 VanDerWaalsContact OE1-CD1 3.28Å; I210-C214 HydrophobicContact CD1-CB 3.78Å; I210-C214 HydrophobicContact CG1-CB 4.44Å; I210-F217 HydrophobicContact CB-CD1 3.75Å; I210-F217 HydrophobicContact CB-CE1 3.94Å; I210-F217 HydrophobicContact CD1-CD1 4.15Å; I210-F217 HydrophobicContact CD1-CE1 3.44Å; I210-F217 VanDerWaalsContact CD1-CE1 3.44Å; I210-F217 HydrophobicContact CD1-CZ 4.4Å; I210-F217 HydrophobicContact CG1-CD1 3.61Å; I210-F217 HydrophobicContact CG1-CE1 3.42Å; I210-F217 VanDerWaalsContact CG1-CE1 3.42Å; I210-L254 VanDerWaalsContact C-CD1 3.5Å; I210-L254 WeakPolarHBondContact O-CD1 3.31Å
211T97.3Very high97.5Very high3 Ų324.8 Ų24.82%0.01813%0.131CC..  trans-75.4163.9170.454.70000112.1R173 D213 C214 Q215 C216 L254 D258 F276R173-T211 VanDerWaalsContact CD-O 3.3Å; R173-T211 WeakPolarHBondContact CD-O 3.45Å; R173-T211 PolarHBondContact NH1-O 3.35Å; T211-D213 VanDerWaalsContact C-N 3.3Å; T211-D213 VanDerWaalsContact CB-OD1 3.31Å; T211-D213 WeakPolarHBondContact CB-OD1 3.14Å; T211-D213 PolarHBondContact O-N 3.41Å; T211-D213 PolarHBondContact OG1-OD1 2.86Å; T211-C214 PolarHBondContact O-N 2.87Å; T211-C214 VanDerWaalsContact O-N 3.13Å; T211-Q215 PolarHBondContact OG1-N 3.06Å; T211-C216 HydrophobicContact CG2-CB 3.73Å; T211-C216 PolarHBondContact N-O 3.42Å; T211-C216 PolarHBondContact OG1-N 2.74Å; T211-C216 PolarHBondContact OG1-O 2.96Å; T211-L254 HydrophobicContact CG2-CD1 3.9Å; T211-D258 VanDerWaalsContact CA-OD2 3.29Å; T211-D258 WeakPolarHBondContact CA-OD2 3.48Å; T211-D258 WeakPolarHBondContact CB-OD2 3.11Å; T211-D258 HydrophobicContact CG2-CB 4.24Å; T211-F276 HydrophobicContact CG2-CE2 3.89Å; T211-F276 HydrophobicContact CG2-CZ 3.85Å
212I94.5Very high97.5Very high73 Ų7327 Ų2737%0.37414%0.14SC..THydrogen-bonded Turntrans-63.1-37.9-176-71.6166000111.4C214 L257 D258I212-C214 VanDerWaalsContact C-N 3.26Å; I212-L257 HydrophobicContact CD1-CB 4.04Å; I212-L257 HydrophobicContact CD1-CD2 3.76Å; I212-D258 WeakPolarHBondContact CB-OD2 3.49Å; I212-D258 VanDerWaalsContact CG1-OD2 3.3Å; I212-D258 WeakPolarHBondContact CG1-OD2 3.43Å; I212-D258 PolarHBondContact N-OD2 2.75Å
213D95.2Very high97.6Very high78 Ų7828 Ų2842%0.41714%0.142SC..THydrogen-bonded Turntrans-79.6-6.517759.48.4000113.9T211 Q215T211-D213 VanDerWaalsContact C-N 3.3Å; T211-D213 VanDerWaalsContact CB-OD1 3.31Å; T211-D213 WeakPolarHBondContact CB-OD1 3.14Å; T211-D213 PolarHBondContact O-N 3.41Å; T211-D213 PolarHBondContact OG1-OD1 2.86Å; D213-Q215 HydrophobicContact CB-CG 4.16Å; D213-Q215 PolarHBondContact O-N 2.71Å; D213-Q215 PolarHBondContact OD1-N 3.09Å
214C95.1Very high97.5Very high14 Ų1423.9 Ų23.910%0.09513%0.128CC..SBendtrans63.422.8-175.3-57.40000114.2I210 T211 I212 A231I210-C214 HydrophobicContact CD1-CB 3.78Å; I210-C214 HydrophobicContact CG1-CB 4.44Å; T211-C214 PolarHBondContact O-N 2.87Å; T211-C214 VanDerWaalsContact O-N 3.13Å; I212-C214 VanDerWaalsContact C-N 3.26Å; C214-A231 WeakPolarHBondContact O-CB 3.05Å
215Q95.8Very high97.5Very high122 Ų12223.3 Ų23.357%0.5712%0.124SC*.SBendtrans-93.5-19.5-178.8-65.4-167.9-25.700113.8T211 D213 A231T211-Q215 PolarHBondContact OG1-N 3.06Å; D213-Q215 HydrophobicContact CB-CG 4.16Å; D213-Q215 PolarHBondContact O-N 2.71Å; D213-Q215 PolarHBondContact OD1-N 3.09Å; Q215-A231 VanDerWaalsContact C-CB 3.46Å; Q215-A231 VanDerWaalsContact O-CB 3.23Å; Q215-A231 WeakPolarHBondContact O-CB 3.03Å; Q215-A231 PolarHBondContact O-N 2.94Å
216C97.1Very high97.5Very high16 Ų1623.4 Ų23.411%0.10813%0.125CC..EExtended strand (participates in β ladder)trans-134.5154178.8-58.30000112T211 L228 F229 L237 F276T211-C216 HydrophobicContact CG2-CB 3.73Å; T211-C216 PolarHBondContact N-O 3.42Å; T211-C216 PolarHBondContact OG1-N 2.74Å; T211-C216 PolarHBondContact OG1-O 2.96Å; C216-L228 HydrophobicContact CB-CD1 3.8Å; C216-L228 HydrophobicContact CB-CG 4.24Å; C216-F229 CarbonylContact C-O 3.52Å; C216-F229 WeakPolarHBondContact CA-O 3.32Å; C216-F229 WeakPolarHBondContact CB-O 3.3Å; C216-L237 VanDerWaalsContact SG-CD1 3.55Å; C216-F276 HydrophobicContact CB-CZ 4.48Å
217F96.4Very high97.5Very high3 Ų323.9 Ų23.91%0.01313%0.126CC..EExtended strand (participates in β ladder)trans-119.7134.2169.1-52-62.4000110.7V178 T188 S209 I210 L228 F229 A231V178-F217 HydrophobicContact CB-CD1 4.49Å; V178-F217 HydrophobicContact CB-CE1 4.46Å; V178-F217 HydrophobicContact CG1-CD1 4.22Å; V178-F217 HydrophobicContact CG1-CG 4.47Å; V178-F217 HydrophobicContact CG2-CD1 3.6Å; V178-F217 HydrophobicContact CG2-CE1 3.21Å; V178-F217 HydrophobicContact CG2-CZ 3.85Å; T188-F217 HydrophobicContact CG2-CE2 4.39Å; T188-F217 HydrophobicContact CG2-CZ 3.86Å; T188-F217 WeakPolarHBondContact OG1-CE2 3.29Å; S209-F217 CarbonylContact O-C 3.53Å; S209-F217 VanDerWaalsContact O-CA 3.25Å; S209-F217 WeakPolarHBondContact O-CA 3.42Å; I210-F217 HydrophobicContact CB-CD1 3.75Å; I210-F217 HydrophobicContact CB-CE1 3.94Å; I210-F217 HydrophobicContact CD1-CD1 4.15Å; I210-F217 HydrophobicContact CD1-CE1 3.44Å; I210-F217 VanDerWaalsContact CD1-CE1 3.44Å; I210-F217 HydrophobicContact CD1-CZ 4.4Å; I210-F217 HydrophobicContact CG1-CD1 3.61Å; I210-F217 HydrophobicContact CG1-CE1 3.42Å; I210-F217 VanDerWaalsContact CG1-CE1 3.42Å; F217-L228 CarbonylContact O-C 3.59Å; F217-L228 WeakPolarHBondContact O-CA 3.44Å; F217-F229 PolarHBondContact N-O 2.96Å; F217-F229 PolarHBondContact O-N 3.1Å; F217-A231 HydrophobicContact CD2-CB 3.77Å; F217-A231 HydrophobicContact CE1-CB 4.21Å; F217-A231 HydrophobicContact CE2-CB 3.2Å; F217-A231 HydrophobicContact CG-CB 4.49Å; F217-A231 HydrophobicContact CZ-CB 3.45Å; F217-A231 VanDerWaalsContact CZ-CB 3.45Å
218L98.5Very high97.5Very high0 Ų023.9 Ų23.90%013%0.126CC..EExtended strand (participates in β ladder)trans-94.5132.1168.218075000108.8V208 S209 L226 R227 Y240 L254 I261V208-L218 CarbonylContact C-O 3.56Å; V208-L218 VanDerWaalsContact CA-O 3.3Å; V208-L218 WeakPolarHBondContact CA-O 3.3Å; S209-L218 PolarHBondContact N-O 3.23Å; S209-L218 PolarHBondContact O-N 2.82Å; L218-L226 HydrophobicContact CD1-CB 4.11Å; L218-R227 CarbonylContact C-O 3.51Å; L218-R227 WeakPolarHBondContact CA-O 3.36Å; L218-Y240 HydrophobicContact CD1-CD2 4.38Å; L218-Y240 HydrophobicContact CD1-CE2 4.13Å; L218-L254 HydrophobicContact CD2-CG 4.46Å; L218-I261 HydrophobicContact CD1-CD1 3.77Å; L218-I261 HydrophobicContact CD1-CG1 4.25Å; L218-I261 HydrophobicContact CD1-CG2 4.17Å; L218-I261 HydrophobicContact CD2-CB 4.42Å; L218-I261 HydrophobicContact CD2-CG1 4.15Å; L218-I261 HydrophobicContact CD2-CG2 3.47Å; L218-I261 VanDerWaalsContact CD2-CG2 3.47Å; L218-I261 HydrophobicContact CG-CG2 4.46Å
219V98.7Very high97.4Very high1 Ų125 Ų251%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-132.1121.5-175.6-1750000109.5V186 V201 V205 S207 T221 L226 R227 F229V186-V219 HydrophobicContact CG2-CG1 3.81Å; V186-V219 HydrophobicContact CG2-CG2 3.82Å; V201-V219 HydrophobicContact CG1-CG1 4.38Å; V201-V219 HydrophobicContact CG2-CG1 4.3Å; V205-V219 HydrophobicContact CB-CG1 4.49Å; V205-V219 HydrophobicContact CG1-CG1 3.72Å; V205-V219 HydrophobicContact CG2-CG1 4.03Å; S207-V219 WeakPolarHBondContact O-CA 3.21Å; V219-T221 HydrophobicContact CG1-CG2 4.17Å; V219-L226 CarbonylContact O-C 3.57Å; V219-L226 WeakPolarHBondContact O-CA 3.15Å; V219-R227 PolarHBondContact N-O 3.17Å; V219-R227 PolarHBondContact O-N 3.49Å; V219-F229 HydrophobicContact CB-CD2 4.29Å; V219-F229 HydrophobicContact CB-CE2 4.08Å; V219-F229 HydrophobicContact CG2-CD2 3.73Å; V219-F229 HydrophobicContact CG2-CE2 3.93Å
220G98.6Very high97.4Very high0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-99.9135.9173.100000112.3T206 S207 L226T206-G220 PolarHBondContact N-O 2.77Å; T206-G220 VanDerWaalsContact OG1-C 3.24Å; T206-G220 PolarHBondContact OG1-O 2.87Å; S207-G220 PolarHBondContact N-O 3.22Å; S207-G220 PolarHBondContact O-N 3.22Å; G220-L226 VanDerWaalsContact CA-CD2 3.48Å
221T98.6Very high97.2Very high0 Ų026.5 Ų26.50%014%0.139CC..EExtended strand (participates in β ladder)trans-132.7159.3-173.145.70000113.6V201 P204 V205 V219 D223 S224 T225 R227 N245V201-T221 HydrophobicContact CG1-CG2 3.7Å; P204-T221 VanDerWaalsContact O-CA 3.31Å; P204-T221 WeakPolarHBondContact O-CA 3.27Å; V205-T221 HydrophobicContact CG2-CG2 4.27Å; V219-T221 HydrophobicContact CG1-CG2 4.17Å; T221-D223 VanDerWaalsContact CB-OD1 3.31Å; T221-D223 WeakPolarHBondContact CB-OD1 3.14Å; T221-D223 PolarHBondContact O-N 2.87Å; T221-D223 PolarHBondContact OG1-OD1 2.91Å; T221-S224 PolarHBondContact O-N 3.29Å; T221-T225 PolarHBondContact N-O 2.99Å; T221-T225 VanDerWaalsContact N-O 3.13Å; T221-T225 PolarHBondContact OG1-O 3Å; T221-R227 PolarHBondContact OG1-NH1 3.16Å; T221-N245 PolarHBondContact O-ND2 2.86Å
222Q98.1Very high96.9Very high63 Ų6334 Ų3429%0.29418%0.179SC..THydrogen-bonded Turntrans-71.48.3-178.8-69.3-170.1-41.700115.4P204 T206 S224 N245 Q246P204-Q222 HydrophobicContact CB-CB 4.39Å; P204-Q222 HydrophobicContact CB-CG 4.15Å; P204-Q222 VanDerWaalsContact CB-OE1 3.3Å; P204-Q222 PolarHBondContact O-N 3.23Å; P204-Q222 VanDerWaalsContact O-N 3.09Å; T206-Q222 HydrophobicContact CG2-CG 3.61Å; Q222-S224 VanDerWaalsContact C-N 3.31Å; Q222-N245 CarbonylContact C-O 3.6Å; Q222-N245 WeakPolarHBondContact CA-O 3.41Å; Q222-Q246 WeakPolarHBondContact O-CA 3.17Å
223D98.1Very high96.9Very high39 Ų3934.9 Ų34.921%0.20919%0.187CC..THydrogen-bonded Turntrans-97.723.5167.371.3-32.4000112Y203 T221 T225 R227Y203-D223 HydrophobicContact CD1-CB 3.59Å; Y203-D223 HydrophobicContact CD2-CB 4.15Å; Y203-D223 VanDerWaalsContact CD2-OD2 3.32Å; Y203-D223 WeakPolarHBondContact CD2-OD2 3.16Å; Y203-D223 HydrophobicContact CE1-CB 3.73Å; Y203-D223 HydrophobicContact CE2-CB 4.29Å; Y203-D223 VanDerWaalsContact CE2-OD2 3.23Å; Y203-D223 WeakPolarHBondContact CE2-OD2 3.02Å; Y203-D223 HydrophobicContact CG-CB 3.79Å; T221-D223 VanDerWaalsContact CB-OD1 3.31Å; T221-D223 WeakPolarHBondContact CB-OD1 3.14Å; T221-D223 PolarHBondContact O-N 2.87Å; T221-D223 PolarHBondContact OG1-OD1 2.91Å; D223-T225 PolarHBondContact O-N 2.77Å; D223-T225 PolarHBondContact O-OG1 3.32Å; D223-R227 IonicContact OD1-CZ 2.94Å; D223-R227 IonicContact OD1-NH1 3.59Å; D223-R227 PolarHBondContact OD1-NH1 3.42Å; D223-R227 IonicContact OD1-NH2 3.31Å; D223-R227 IonicContact OD2-CZ 3.94Å; D223-R227 IonicContact OD2-NH1 3.74Å; D223-R227 PolarHBondContact OD2-NH1 3.09Å; D223-R227 IonicContact OD2-NH2 3.61Å; D223-R227 PolarHBondContact OD2-NH2 3.29Å
224S97.7Very high96.7Very high19 Ų1932.1 Ų32.113%0.13318%0.178CC..THydrogen-bonded Turntrans58.135.7177.7-57.20000113.6T221 Q222 H243 N245 Q246T221-S224 PolarHBondContact O-N 3.29Å; Q222-S224 VanDerWaalsContact C-N 3.31Å; S224-H243 WeakPolarHBondContact CB-O 3.34Å; S224-H243 PolarHBondContact O-CE1 3.13Å; S224-N245 WeakPolarHBondContact CA-O 3.41Å; S224-N245 PolarHBondContact N-O 2.94Å; S224-N245 PolarHBondContact OG-N 2.57Å; S224-N245 PolarHBondContact OG-O 3.06Å; S224-Q246 WeakPolarHBondContact OG-CG 3.35Å
225T98.2Very high96.8Very high13 Ų1337.4 Ų37.48%0.0820%0.201CC..EExtended strand (participates in β ladder)trans-132.3136.1-178.8-57.60000110.2T221 D223 R227 R239 T241T221-T225 PolarHBondContact N-O 2.99Å; T221-T225 VanDerWaalsContact N-O 3.13Å; T221-T225 PolarHBondContact OG1-O 3Å; D223-T225 PolarHBondContact O-N 2.77Å; D223-T225 PolarHBondContact O-OG1 3.32Å; T225-R227 HydrophobicContact CG2-CG 4Å; T225-R239 HydrophobicContact CG2-CB 4.19Å; T225-R239 HydrophobicContact CG2-CG 4.45Å; T225-T241 HydrophobicContact CG2-CG2 4.15Å
226L98.5Very high96.8Very high2 Ų234.2 Ų34.21%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-96.3140.9161.2-54.1170.9000108.3L218 V219 G220 R239 Y240 I261L218-L226 HydrophobicContact CD1-CB 4.11Å; V219-L226 CarbonylContact O-C 3.57Å; V219-L226 WeakPolarHBondContact O-CA 3.15Å; G220-L226 VanDerWaalsContact CA-CD2 3.48Å; L226-R239 CarbonylContact O-C 3.58Å; L226-R239 WeakPolarHBondContact O-CA 3.37Å; L226-Y240 HydrophobicContact CB-CD2 3.82Å; L226-Y240 HydrophobicContact CB-CG 4.4Å; L226-Y240 PolarHBondContact N-O 3.22Å; L226-Y240 PolarHBondContact O-N 2.88Å; L226-I261 HydrophobicContact CD1-CG2 3.7Å
227R98.3Very high96.8Very high15 Ų1536.7 Ų36.76%0.05720%0.199CC..EExtended strand (participates in β ladder)trans-124.5132.9-179.6-67.9178.2171.975.71.9109.6L218 V219 T221 D223 T225 F229 L236 N238L218-R227 CarbonylContact C-O 3.51Å; L218-R227 WeakPolarHBondContact CA-O 3.36Å; V219-R227 PolarHBondContact N-O 3.17Å; V219-R227 PolarHBondContact O-N 3.49Å; T221-R227 PolarHBondContact OG1-NH1 3.16Å; D223-R227 IonicContact OD1-CZ 2.94Å; D223-R227 IonicContact OD1-NH1 3.59Å; D223-R227 PolarHBondContact OD1-NH1 3.42Å; D223-R227 IonicContact OD1-NH2 3.31Å; D223-R227 IonicContact OD2-CZ 3.94Å; D223-R227 IonicContact OD2-NH1 3.74Å; D223-R227 PolarHBondContact OD2-NH1 3.09Å; D223-R227 IonicContact OD2-NH2 3.61Å; D223-R227 PolarHBondContact OD2-NH2 3.29Å; T225-R227 HydrophobicContact CG2-CG 4Å; R227-F229 HydrophobicContact CB-CD2 4.05Å; R227-F229 HydrophobicContact CB-CE2 3.38Å; R227-F229 HydrophobicContact CB-CZ 3.81Å; R227-F229 HydrophobicContact CG-CE2 4.32Å; R227-F229 HydrophobicContact CG-CZ 4.36Å; R227-L236 HydrophobicContact CB-CD1 3.68Å; R227-L236 HydrophobicContact CG-CD1 3.89Å; R227-N238 WeakPolarHBondContact CA-O 3.17Å
228L98.2Very high96.9Very high4 Ų438.5 Ų38.52%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-100.2125.9169.7-172.972.7000108C216 F217 L237 N238 Y240 F276C216-L228 HydrophobicContact CB-CD1 3.8Å; C216-L228 HydrophobicContact CB-CG 4.24Å; F217-L228 CarbonylContact O-C 3.59Å; F217-L228 WeakPolarHBondContact O-CA 3.44Å; L228-L237 HydrophobicContact CB-CB 4.44Å; L228-L237 HydrophobicContact CD2-CB 4.14Å; L228-L237 HydrophobicContact CD2-CD1 4.31Å; L228-L237 HydrophobicContact CG-CB 4.29Å; L228-L237 HydrophobicContact CG-CD1 4.39Å; L228-L237 PolarHBondContact O-N 3.13Å; L228-N238 HydrophobicContact CB-CB 3.99Å; L228-N238 HydrophobicContact CD2-CB 4.41Å; L228-N238 PolarHBondContact N-O 3.44Å; L228-N238 PolarHBondContact O-N 2.68Å; L228-Y240 HydrophobicContact CB-CE2 4.12Å; L228-F276 HydrophobicContact CD1-CE2 3.59Å; L228-F276 HydrophobicContact CD1-CZ 3.78Å; L228-F276 HydrophobicContact CD2-CE1 3.91Å; L228-F276 HydrophobicContact CD2-CE2 3.92Å; L228-F276 HydrophobicContact CD2-CZ 3.53Å; L228-F276 HydrophobicContact CG-CE2 4.44Å; L228-F276 HydrophobicContact CG-CZ 4.3Å
229F97.8Very high96.9Very high31 Ų3145.1 Ų45.114%0.13623%0.234CC..EExtended strand (participates in β ladder)trans-117146.6177.9-66-83000110.9V201 C216 F217 V219 R227 E235 L236V201-F229 HydrophobicContact CG1-CE2 4.28Å; V201-F229 HydrophobicContact CG1-CZ 4.17Å; V201-F229 HydrophobicContact CG2-CE2 4.36Å; V201-F229 HydrophobicContact CG2-CZ 4.45Å; C216-F229 CarbonylContact C-O 3.52Å; C216-F229 WeakPolarHBondContact CA-O 3.32Å; C216-F229 WeakPolarHBondContact CB-O 3.3Å; F217-F229 PolarHBondContact N-O 2.96Å; F217-F229 PolarHBondContact O-N 3.1Å; V219-F229 HydrophobicContact CB-CD2 4.29Å; V219-F229 HydrophobicContact CB-CE2 4.08Å; V219-F229 HydrophobicContact CG2-CD2 3.73Å; V219-F229 HydrophobicContact CG2-CE2 3.93Å; R227-F229 HydrophobicContact CB-CD2 4.05Å; R227-F229 HydrophobicContact CB-CE2 3.38Å; R227-F229 HydrophobicContact CB-CZ 3.81Å; R227-F229 HydrophobicContact CG-CE2 4.32Å; R227-F229 HydrophobicContact CG-CZ 4.36Å; F229-E235 CarbonylContact C-O 3.59Å; F229-E235 VanDerWaalsContact CA-O 3.25Å; F229-E235 WeakPolarHBondContact CA-O 3.4Å; F229-L236 HydrophobicContact CD1-CB 4.08Å; F229-L236 HydrophobicContact CD1-CD1 4.12Å; F229-L236 HydrophobicContact CE1-CB 3.89Å; F229-L236 HydrophobicContact CE1-CD1 3.73Å; F229-L236 HydrophobicContact CE1-CG 4.42Å; F229-L236 HydrophobicContact CE2-CD1 4.47Å; F229-L236 HydrophobicContact CZ-CD1 3.93Å
230D96.4Very high96.8Very high41 Ų4145.1 Ų45.122%0.21923%0.234CC..EExtended strand (participates in β ladder)trans-68.7129.1163.7-176.7-78.6000109.5L232 T233 G234 E235 L237D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 2.77Å; D230-L232 WeakPolarHBondContact OD1-CA 3.5Å; D230-L232 WeakPolarHBondContact OD1-CB 3.25Å; D230-L232 PolarHBondContact OD1-N 2.83Å; D230-T233 WeakPolarHBondContact CB-OG1 3.45Å; D230-T233 PolarHBondContact OD1-N 2.81Å; D230-T233 PolarHBondContact OD1-OG1 2.89Å; D230-G234 WeakPolarHBondContact O-CA 3.27Å; D230-G234 PolarHBondContact O-N 3.47Å; D230-E235 HydrophobicContact CB-CB 4.35Å; D230-E235 PolarHBondContact N-O 3.33Å; D230-L237 HydrophobicContact CB-CD1 4.08Å; D230-L237 HydrophobicContact CB-CD2 4.22Å; D230-L237 HydrophobicContact CB-CG 4.2Å
231A93.5Very high96.8Very high20 Ų2048.8 Ų48.817%0.16526%0.256CS..THydrogen-bonded Turntrans-73-21.1-173.700000114.1C214 Q215 F217C214-A231 WeakPolarHBondContact O-CB 3.05Å; Q215-A231 VanDerWaalsContact C-CB 3.46Å; Q215-A231 VanDerWaalsContact O-CB 3.23Å; Q215-A231 WeakPolarHBondContact O-CB 3.03Å; Q215-A231 PolarHBondContact O-N 2.94Å; F217-A231 HydrophobicContact CD2-CB 3.77Å; F217-A231 HydrophobicContact CE1-CB 4.21Å; F217-A231 HydrophobicContact CE2-CB 3.2Å; F217-A231 HydrophobicContact CG-CB 4.49Å; F217-A231 HydrophobicContact CZ-CB 3.45Å; F217-A231 VanDerWaalsContact CZ-CB 3.45Å
232L92.2Very high96.5Very high161 Ų16151.2 Ų51.284%0.84328%0.282SS*.THydrogen-bonded Turntrans-94.7-42.6-177.3178.264.5000111.5D230D230-L232 VanDerWaalsContact C-N 3.3Å; D230-L232 PolarHBondContact O-N 2.77Å; D230-L232 WeakPolarHBondContact OD1-CA 3.5Å; D230-L232 WeakPolarHBondContact OD1-CB 3.25Å; D230-L232 PolarHBondContact OD1-N 2.83Å
233T93.7Very high96.4Very high90 Ų9048.5 Ų48.555%0.55227%0.269SS*.THydrogen-bonded Turntrans-99.4-18.7-173.367.70000113.6D230 E235D230-T233 WeakPolarHBondContact CB-OG1 3.45Å; D230-T233 PolarHBondContact OD1-N 2.81Å; D230-T233 PolarHBondContact OD1-OG1 2.89Å; T233-E235 PolarHBondContact O-N 2.86Å; T233-E235 VanDerWaalsContact OG1-CB 3.26Å; T233-E235 WeakPolarHBondContact OG1-CB 3.47Å; T233-E235 PolarHBondContact OG1-N 3.27Å
234G92.2Very high96.3Very high21 Ų2148.1 Ų48.122%0.21627%0.268CS..  trans72.68.6-171.100000113.3D230D230-G234 WeakPolarHBondContact O-CA 3.27Å; D230-G234 PolarHBondContact O-N 3.47Å
235E95.8Very high96.3Very high124 Ų12447.3 Ų47.358%0.57926%0.262SS*.  trans-66.3135.4178.9-176175.2-179.500110.9F229 D230 T233 L237F229-E235 CarbonylContact C-O 3.59Å; F229-E235 VanDerWaalsContact CA-O 3.25Å; F229-E235 WeakPolarHBondContact CA-O 3.4Å; D230-E235 HydrophobicContact CB-CB 4.35Å; D230-E235 PolarHBondContact N-O 3.33Å; T233-E235 PolarHBondContact O-N 2.86Å; T233-E235 VanDerWaalsContact OG1-CB 3.26Å; T233-E235 WeakPolarHBondContact OG1-CB 3.47Å; T233-E235 PolarHBondContact OG1-N 3.27Å; E235-L237 PolarHBondContact O-N 3.13Å
236L97Very high96.1Very high55 Ų5552.4 Ų52.429%0.28829%0.285SS..EExtended strand (participates in β ladder)trans-74.9114.3172.3176.975.8000109.9R227 F229 N238 R239R227-L236 HydrophobicContact CB-CD1 3.68Å; R227-L236 HydrophobicContact CG-CD1 3.89Å; F229-L236 HydrophobicContact CD1-CB 4.08Å; F229-L236 HydrophobicContact CD1-CD1 4.12Å; F229-L236 HydrophobicContact CE1-CB 3.89Å; F229-L236 HydrophobicContact CE1-CD1 3.73Å; F229-L236 HydrophobicContact CE1-CG 4.42Å; F229-L236 HydrophobicContact CE2-CD1 4.47Å; F229-L236 HydrophobicContact CZ-CD1 3.93Å; L236-N238 WeakPolarHBondContact CD1-O 3.45Å; L236-R239 HydrophobicContact CD1-CG 4.3Å; L236-R239 HydrophobicContact CD2-CG 3.87Å; L236-R239 HydrophobicContact CG-CG 4.49Å
237L97Very high95.9Very high69 Ų6956.6 Ų56.636%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-88.2-40.2-179.7-58.9178.3000112.8C216 L228 D230 E235C216-L237 VanDerWaalsContact SG-CD1 3.55Å; L228-L237 HydrophobicContact CB-CB 4.44Å; L228-L237 HydrophobicContact CD2-CB 4.14Å; L228-L237 HydrophobicContact CD2-CD1 4.31Å; L228-L237 HydrophobicContact CG-CB 4.29Å; L228-L237 HydrophobicContact CG-CD1 4.39Å; L228-L237 PolarHBondContact O-N 3.13Å; D230-L237 HydrophobicContact CB-CD1 4.08Å; D230-L237 HydrophobicContact CB-CD2 4.22Å; D230-L237 HydrophobicContact CB-CG 4.2Å; E235-L237 PolarHBondContact O-N 3.13Å
238N97.7Very high95.5Very high40 Ų4061.5 Ų61.521%0.21433%0.33CS..EExtended strand (participates in β ladder)trans-152.9159.3-175.8-97.2-21.8000113.2R227 L228 L236 Y240 F276 I277R227-N238 WeakPolarHBondContact CA-O 3.17Å; L228-N238 HydrophobicContact CB-CB 3.99Å; L228-N238 HydrophobicContact CD2-CB 4.41Å; L228-N238 PolarHBondContact N-O 3.44Å; L228-N238 PolarHBondContact O-N 2.68Å; L236-N238 WeakPolarHBondContact CD1-O 3.45Å; N238-Y240 HydrophobicContact CB-CE2 4.05Å; N238-F276 PolarHBondContact ND2-O 3.34Å; N238-I277 PolarHBondContact ND2-O 2.59Å
239R97.9Very high95.3Very high140 Ų14064.5 Ų64.553%0.52834%0.343SS..EExtended strand (participates in β ladder)trans-132.7131.1173.3-63.3-175.5-1791776.4111.1T225 L226 L236 S279T225-R239 HydrophobicContact CG2-CB 4.19Å; T225-R239 HydrophobicContact CG2-CG 4.45Å; L226-R239 CarbonylContact O-C 3.58Å; L226-R239 WeakPolarHBondContact O-CA 3.37Å; L236-R239 HydrophobicContact CD1-CG 4.3Å; L236-R239 HydrophobicContact CD2-CG 3.87Å; L236-R239 HydrophobicContact CG-CG 4.49Å; R239-S279 WeakPolarHBondContact O-CB 3.47Å; R239-S279 PolarHBondContact O-OG 2.86Å; R239-S279 VanDerWaalsContact O-OG 3.11Å
240Y98.2Very high95.2Very high0 Ų063.2 Ų63.20%034%0.338CS..EExtended strand (participates in β ladder)trans-115.6119.7178.1-43.4-92000109.7L218 L226 L228 N238 I261 W274 D275 F276L218-Y240 HydrophobicContact CD1-CD2 4.38Å; L218-Y240 HydrophobicContact CD1-CE2 4.13Å; L226-Y240 HydrophobicContact CB-CD2 3.82Å; L226-Y240 HydrophobicContact CB-CG 4.4Å; L226-Y240 PolarHBondContact N-O 3.22Å; L226-Y240 PolarHBondContact O-N 2.88Å; L228-Y240 HydrophobicContact CB-CE2 4.12Å; N238-Y240 HydrophobicContact CB-CE2 4.05Å; Y240-I261 HydrophobicContact CD1-CD1 4.36Å; Y240-I261 HydrophobicContact CD2-CD1 4.06Å; Y240-I261 HydrophobicContact CE1-CD1 3.78Å; Y240-I261 HydrophobicContact CE2-CD1 3.42Å; Y240-I261 VanDerWaalsContact CE2-CD1 3.42Å; Y240-I261 HydrophobicContact CG-CD1 4.48Å; Y240-I261 WeakPolarHBondContact OH-CD1 3.43Å; Y240-W274 HydrophobicContact CD1-CB 3.94Å; Y240-W274 HydrophobicContact CD1-CD2 4.47Å; Y240-W274 HydrophobicContact CD1-CE3 4.41Å; Y240-W274 HydrophobicContact CD1-CG 4.29Å; Y240-W274 HydrophobicContact CE1-CB 4.46Å; Y240-D275 VanDerWaalsContact CE1-O 3.25Å; Y240-D275 WeakPolarHBondContact CE1-O 3.49Å; Y240-F276 PolarHBondContact OH-O 3.02Å
241T96.9Very high95.2Very high77 Ų7762.1 Ų62.147%0.47233%0.332SS..EExtended strand (participates in β ladder)trans-127.3147.5-174.257.50000110.7T225 W274T225-T241 HydrophobicContact CG2-CG2 4.15Å; T241-W274 WeakPolarHBondContact O-CH2 3.43Å; T241-W274 WeakPolarHBondContact O-CZ3 3.3Å
242G93.5Very high95.5Very high52 Ų5261.5 Ų61.554%0.53633%0.326SS..SBendtrans135.8-30.1179.100000113.7
243H95.6Very high95.7Very high5 Ų554.4 Ų54.42%0.02329%0.291CS..SBendtrans-74.4163.3166.867.8-74.3000110.8S224 F272 W274S224-H243 WeakPolarHBondContact CB-O 3.34Å; S224-H243 PolarHBondContact O-CE1 3.13Å; H243-F272 HydrophobicContact CB-CD2 3.47Å; H243-F272 VanDerWaalsContact CB-CD2 3.47Å; H243-F272 HydrophobicContact CB-CE2 3.76Å; H243-F272 HydrophobicContact CB-CG 4.19Å; H243-W274 HydrophobicContact CB-CZ2 4.09Å; H243-W274 AromaticContact ND1-CH2 3.99Å; H243-W274 AromaticContact ND1-CZ2 3.49Å; H243-W274 WeakPolarHBondContact ND1-CZ2 3.44Å
244T96.5Very high95.9Very high31 Ų3151.2 Ų51.219%0.1927%0.271CS..  trans-110.1126.1174.6-55.70000110.5Q246 S265 E266 K267T244-Q246 HydrophobicContact CG2-CG 4.09Å; T244-S265 PolarHBondContact N-OG 3.42Å; T244-S265 WeakPolarHBondContact O-CA 3.33Å; T244-E266 HydrophobicContact CG2-CB 4.17Å; T244-E266 PolarHBondContact O-N 2.95Å; T244-K267 HydrophobicContact CG2-CB 4.36Å
245N96.6Very high96Very high2 Ų250.6 Ų50.61%0.01126%0.262CS..  trans-147.5108.3174.5179.8-2.8000107.5T206 T221 Q222 S224 Y248 M250 E266T206-N245 PolarHBondContact OG1-ND2 3.05Å; T221-N245 PolarHBondContact O-ND2 2.86Å; Q222-N245 CarbonylContact C-O 3.6Å; Q222-N245 WeakPolarHBondContact CA-O 3.41Å; S224-N245 WeakPolarHBondContact CA-O 3.41Å; S224-N245 PolarHBondContact N-O 2.94Å; S224-N245 PolarHBondContact OG-N 2.57Å; S224-N245 PolarHBondContact OG-O 3.06Å; N245-Y248 PolarHBondContact OD1-O 2.97Å; N245-M250 HydrophobicContact CB-CB 4.37Å; N245-M250 HydrophobicContact CB-CG 3.94Å; N245-E266 WeakPolarHBondContact CA-OE1 3.48Å
246Q95.6Very high95.7Very high120 Ų12045.6 Ų45.656%0.56124%0.239SC*.SBendtrans-144.1-41.7-169.6-63-177.36.500112.2Q222 S224 T244 E266Q222-Q246 WeakPolarHBondContact O-CA 3.17Å; S224-Q246 WeakPolarHBondContact OG-CG 3.35Å; T244-Q246 HydrophobicContact CG2-CG 4.09Å; Q246-E266 PolarHBondContact N-OE1 2.85Å
247T92.8Very high95.5Very high91 Ų9148 Ų4856%0.55825%0.252SS*.SBendtrans-111.8-39.7-168.8-46.30000112.3E266T247-E266 WeakPolarHBondContact CB-OE2 3.34Å; T247-E266 VanDerWaalsContact N-CD 3.33Å; T247-E266 PolarHBondContact N-OE1 3.41Å; T247-E266 PolarHBondContact N-OE2 2.75Å; T247-E266 PolarHBondContact OG1-OE2 3.41Å
248Y90.6Very high95.3Very high117 Ų11745.8 Ų45.846%0.45924%0.24SC..SBendtrans-116.1159.7-168.1-59.5-72.3000111.1N245 M250 E266 M320N245-Y248 PolarHBondContact OD1-O 2.97Å; Y248-M250 VanDerWaalsContact CB-CE 3.5Å; Y248-M250 PolarHBondContact O-N 2.93Å; Y248-M250 VanDerWaalsContact O-N 3.15Å; Y248-E266 HydrophobicContact CD2-CG 4.14Å; Y248-E266 PolarHBondContact N-OE1 2.93Å; Y248-M320 HydrophobicContact CD1-CE 4.48Å; Y248-M320 HydrophobicContact CD2-CE 4.35Å; Y248-M320 HydrophobicContact CD2-SD 3.56Å; Y248-M320 VanDerWaalsContact CD2-SD 3.56Å; Y248-M320 HydrophobicContact CE2-SD 3.95Å; Y248-M320 HydrophobicContact CG-CE 4.16Å; Y248-M320 HydrophobicContact CG-SD 3.96Å
249K93.2Very high95.2Very high67 Ų6749.3 Ų49.329%0.29125%0.251SS..  trans-69.2109.9171.1178-171.5165.6178.80109.2N115 T168 T206N115-K249 PolarHBondContact O-NZ 3.48Å; T168-K249 VanDerWaalsContact O-CE 3.31Å; T168-K249 WeakPolarHBondContact O-CE 3.44Å; T168-K249 PolarHBondContact O-NZ 2.88Å; T206-K249 WeakPolarHBondContact O-CG 3.4Å
250M96.3Very high95Very high4 Ų443.9 Ų43.92%0.0223%0.231CC..  trans-97.6131.9171-63-62.2103.300111.6T206 S207 N245 Y248 E266 M320 H322T206-M250 PolarHBondContact OG1-O 2.81Å; S207-M250 WeakPolarHBondContact CB-O 3.47Å; S207-M250 PolarHBondContact OG-O 3.14Å; N245-M250 HydrophobicContact CB-CB 4.37Å; N245-M250 HydrophobicContact CB-CG 3.94Å; Y248-M250 VanDerWaalsContact CB-CE 3.5Å; Y248-M250 PolarHBondContact O-N 2.93Å; Y248-M250 VanDerWaalsContact O-N 3.15Å; M250-E266 HydrophobicContact CE-CG 3.72Å; M250-E266 HydrophobicContact CG-CG 4.08Å; M250-E266 HydrophobicContact SD-CG 3.81Å; M250-M320 HydrophobicContact CE-CE 4.48Å; M250-M320 HydrophobicContact CE-SD 4.27Å; M250-H322 HydrophobicContact CE-CB 3.35Å; M250-H322 HydrophobicContact SD-CB 3.81Å
251D97.5Very high95Very high18 Ų1843.9 Ų43.910%0.09623%0.231CC..  trans-75.7145.2168.9-72.4-13.9000111R34 G264 H322 V324R34-D251 IonicContact CZ-OD2 3.98Å; R34-D251 VanDerWaalsContact CZ-OD2 3.25Å; R34-D251 IonicContact NH1-OD2 3.06Å; R34-D251 PolarHBondContact NH1-OD2 2.87Å; R34-D251 IonicContact NH2-OD1 3.13Å; R34-D251 IonicContact NH2-OD2 3.82Å; R34-D251 PolarHBondContact NH2-OD2 2.76Å; D251-G264 PolarHBondContact O-N 2.95Å; D251-G264 VanDerWaalsContact O-N 3.15Å; D251-H322 VanDerWaalsContact CB-O 3.23Å; D251-H322 WeakPolarHBondContact CB-O 3.38Å; D251-H322 PolarHBondContact N-O 2.83Å; D251-V324 HydrophobicContact CB-CG2 3.77Å
252S98.1Very high95Very high7 Ų740.2 Ų40.25%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-136.4152.9163.4640000108.4S207 I262S207-S252 PolarHBondContact OG-N 2.76Å; S207-S252 PolarHBondContact OG-OG 2.84Å; S252-I262 CarbonylContact C-O 3.55Å; S252-I262 WeakPolarHBondContact CA-O 3.31Å; S252-I262 WeakPolarHBondContact CB-O 3.45Å
253A97.6Very high95.2Very high13 Ų1337.9 Ų37.911%0.10718%0.184CC..EExtended strand (participates in β ladder)trans-149.6159.9-178.400000111.8I261 I262 V324 P326A253-I261 WeakPolarHBondContact O-CA 3.44Å; A253-I262 HydrophobicContact CB-CG2 3.76Å; A253-I262 PolarHBondContact N-O 2.91Å; A253-I262 WeakPolarHBondContact O-CG2 3.36Å; A253-I262 PolarHBondContact O-N 2.79Å; A253-V324 HydrophobicContact CB-CG2 4.4Å; A253-P326 HydrophobicContact CB-CG 3.83Å
254L97Very high95.2Very high23 Ų2337.6 Ų37.612%0.1218%0.183CC..EExtended strand (participates in β ladder)trans-88.9142.9169-67.7160.1000110I210 T211 L218 D258 I261 F276I210-L254 VanDerWaalsContact C-CD1 3.5Å; I210-L254 WeakPolarHBondContact O-CD1 3.31Å; T211-L254 HydrophobicContact CG2-CD1 3.9Å; L218-L254 HydrophobicContact CD2-CG 4.46Å; L254-D258 WeakPolarHBondContact CB-OD1 3.48Å; L254-D258 HydrophobicContact CD2-CB 4.35Å; L254-I261 HydrophobicContact CD2-CG1 3.8Å; L254-F276 HydrophobicContact CD2-CD2 3.74Å; L254-F276 HydrophobicContact CD2-CE2 3.74Å
255M94.3Very high95.1Very high7 Ų736.2 Ų36.23%0.03418%0.175CC..EExtended strand (participates in β ladder)trans-137.8158.3-175.8-176.1172.771.500110.9L15 P16 L257 D258 R259 H260 V273 P326L15-M255 HydrophobicContact CD2-CE 3.81Å; P16-M255 HydrophobicContact CG-CE 3.88Å; P16-M255 HydrophobicContact CG-SD 3.59Å; P16-M255 VanDerWaalsContact CG-SD 3.59Å; M255-L257 PolarHBondContact O-N 3.47Å; M255-D258 PolarHBondContact O-N 3.15Å; M255-R259 PolarHBondContact O-N 3Å; M255-H260 HydrophobicContact CE-CB 4.24Å; M255-H260 PolarHBondContact N-O 3.18Å; M255-H260 PolarHBondContact O-N 2.78Å; M255-V273 HydrophobicContact CE-CG1 4.36Å; M255-P326 HydrophobicContact CB-CB 4.15Å; M255-P326 HydrophobicContact CB-CG 4.08Å; M255-P326 HydrophobicContact CG-CB 4.01Å; M255-P326 HydrophobicContact CG-CG 4.39Å; M255-P326 HydrophobicContact SD-CB 4.43Å
256N91.1Very high95Very high19 Ų1936.6 Ų36.610%0.10218%0.176CC..THydrogen-bonded Turntrans55.449.5175.1-72.9-13.9000113.3R259 H260N256-R259 HydrophobicContact CB-CB 4.44Å; N256-R259 WeakPolarHBondContact O-CB 3.33Å; N256-R259 VanDerWaalsContact O-CG 3.28Å; N256-R259 WeakPolarHBondContact O-CG 3.33Å; N256-R259 PolarHBondContact O-N 3.09Å; N256-H260 WeakPolarHBondContact CB-ND1 3.35Å; N256-H260 PolarHBondContact ND2-ND1 2.95Å
257L91.2Very high94.6Very high105 Ų10536.1 Ų36.155%0.5517%0.172SC..THydrogen-bonded Turntrans5848.2-177.4-52.5171.4000111.9Y10 I212 M255 R259Y10-L257 HydrophobicContact CE1-CD1 4.48Å; I212-L257 HydrophobicContact CD1-CB 4.04Å; I212-L257 HydrophobicContact CD1-CD2 3.76Å; M255-L257 PolarHBondContact O-N 3.47Å; L257-R259 PolarHBondContact O-N 3.08Å; L257-R259 VanDerWaalsContact O-N 3.13Å
258D94.1Very high94.2Very high23 Ų2334.7 Ų34.712%0.12316%0.161CC..THydrogen-bonded Turntrans6116.2-179.7-46.6-33000115.2T211 I212 L254 M255 H260 F276T211-D258 VanDerWaalsContact CA-OD2 3.29Å; T211-D258 WeakPolarHBondContact CA-OD2 3.48Å; T211-D258 WeakPolarHBondContact CB-OD2 3.11Å; T211-D258 HydrophobicContact CG2-CB 4.24Å; I212-D258 WeakPolarHBondContact CB-OD2 3.49Å; I212-D258 VanDerWaalsContact CG1-OD2 3.3Å; I212-D258 WeakPolarHBondContact CG1-OD2 3.43Å; I212-D258 PolarHBondContact N-OD2 2.75Å; L254-D258 WeakPolarHBondContact CB-OD1 3.48Å; L254-D258 HydrophobicContact CD2-CB 4.35Å; M255-D258 PolarHBondContact O-N 3.15Å; D258-H260 VanDerWaalsContact C-N 3.29Å; D258-F276 WeakPolarHBondContact O-CB 3.44Å; D258-F276 WeakPolarHBondContact O-CD2 3.38Å; D258-F276 WeakPolarHBondContact O-CG 3.46Å
259R94Very high94.1Very high114 Ų11429.1 Ų29.143%0.4314%0.139SC..THydrogen-bonded Turntrans-75-23.9173.2-66.2179.8-175.2-170.62.2112.8M255 N256 L257 F276M255-R259 PolarHBondContact O-N 3Å; N256-R259 HydrophobicContact CB-CB 4.44Å; N256-R259 WeakPolarHBondContact O-CB 3.33Å; N256-R259 VanDerWaalsContact O-CG 3.28Å; N256-R259 WeakPolarHBondContact O-CG 3.33Å; N256-R259 PolarHBondContact O-N 3.09Å; L257-R259 PolarHBondContact O-N 3.08Å; L257-R259 VanDerWaalsContact O-N 3.13Å; R259-F276 VanDerWaalsContact O-CB 3.27Å; R259-F276 WeakPolarHBondContact O-CB 3.45Å; R259-F276 PolarHBondContact O-N 2.98Å
260H95.5Very high94.2Very high27 Ų2727.5 Ų27.513%0.12513%0.134CC..EExtended strand (participates in β ladder)trans-135.6154.6-175.2-54.791.4000111L15 M255 N256 D258 V273 W274L15-H260 HydrophobicContact CD2-CB 4.42Å; M255-H260 HydrophobicContact CE-CB 4.24Å; M255-H260 PolarHBondContact N-O 3.18Å; M255-H260 PolarHBondContact O-N 2.78Å; N256-H260 WeakPolarHBondContact CB-ND1 3.35Å; N256-H260 PolarHBondContact ND2-ND1 2.95Å; D258-H260 VanDerWaalsContact C-N 3.29Å; H260-V273 HydrophobicContact CB-CG1 4.47Å; H260-W274 VanDerWaalsContact CA-O 3.25Å; H260-W274 WeakPolarHBondContact CA-O 3.25Å; H260-W274 WeakPolarHBondContact CB-O 3.45Å
261I97.4Very high94.2Very high0 Ų027.3 Ų27.30%013%0.133CC..EExtended strand (participates in β ladder)trans-115.3145.1172.6-63.4156.9000108.1L218 L226 Y240 A253 L254 V273 W274 F276L218-I261 HydrophobicContact CD1-CD1 3.77Å; L218-I261 HydrophobicContact CD1-CG1 4.25Å; L218-I261 HydrophobicContact CD1-CG2 4.17Å; L218-I261 HydrophobicContact CD2-CB 4.42Å; L218-I261 HydrophobicContact CD2-CG1 4.15Å; L218-I261 HydrophobicContact CD2-CG2 3.47Å; L218-I261 VanDerWaalsContact CD2-CG2 3.47Å; L218-I261 HydrophobicContact CG-CG2 4.46Å; L226-I261 HydrophobicContact CD1-CG2 3.7Å; Y240-I261 HydrophobicContact CD1-CD1 4.36Å; Y240-I261 HydrophobicContact CD2-CD1 4.06Å; Y240-I261 HydrophobicContact CE1-CD1 3.78Å; Y240-I261 HydrophobicContact CE2-CD1 3.42Å; Y240-I261 VanDerWaalsContact CE2-CD1 3.42Å; Y240-I261 HydrophobicContact CG-CD1 4.48Å; Y240-I261 WeakPolarHBondContact OH-CD1 3.43Å; A253-I261 WeakPolarHBondContact O-CA 3.44Å; L254-I261 HydrophobicContact CD2-CG1 3.8Å; I261-V273 CarbonylContact O-C 3.03Å; I261-V273 WeakPolarHBondContact O-CA 3.49Å; I261-W274 HydrophobicContact CB-CB 4.13Å; I261-W274 HydrophobicContact CB-CG 4.38Å; I261-W274 PolarHBondContact N-O 3.44Å; I261-W274 PolarHBondContact O-N 3.24Å; I261-F276 HydrophobicContact CD1-CD2 4.11Å; I261-F276 HydrophobicContact CG1-CD2 4.22Å
262I97.5Very high94.1Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-121.7140.7172.8-168.484.7000109S252 A253 V271 F272 V273 L286 V324 P326 L333S252-I262 CarbonylContact C-O 3.55Å; S252-I262 WeakPolarHBondContact CA-O 3.31Å; S252-I262 WeakPolarHBondContact CB-O 3.45Å; A253-I262 HydrophobicContact CB-CG2 3.76Å; A253-I262 PolarHBondContact N-O 2.91Å; A253-I262 WeakPolarHBondContact O-CG2 3.36Å; A253-I262 PolarHBondContact O-N 2.79Å; I262-V271 HydrophobicContact CD1-CG1 3.42Å; I262-V271 VanDerWaalsContact CD1-CG1 3.42Å; I262-V271 HydrophobicContact CG1-CG1 3.56Å; I262-F272 CarbonylContact C-O 3.59Å; I262-F272 WeakPolarHBondContact CA-O 3.4Å; I262-V273 HydrophobicContact CD1-CB 4.49Å; I262-V273 HydrophobicContact CD1-CG2 3.55Å; I262-L286 HydrophobicContact CD1-CD1 4.43Å; I262-V324 HydrophobicContact CG1-CB 4.31Å; I262-V324 HydrophobicContact CG1-CG1 4.15Å; I262-V324 HydrophobicContact CG2-CB 4.14Å; I262-V324 HydrophobicContact CG2-CG2 3.92Å; I262-P326 HydrophobicContact CG2-CG 3.95Å; I262-L333 HydrophobicContact CD1-CD2 3.43Å; I262-L333 VanDerWaalsContact CD1-CD2 3.43Å; I262-L333 HydrophobicContact CG1-CD1 4.11Å; I262-L333 HydrophobicContact CG1-CD2 3.81Å; I262-L333 HydrophobicContact CG2-CD1 4.39Å
263S97.7Very high94.1Very high2 Ų227 Ų271%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-145.4141.5174.761.80000113.1V271 F272 W274S263-V271 CarbonylContact O-C 3.56Å; S263-V271 WeakPolarHBondContact O-CA 3.41Å; S263-V271 WeakPolarHBondContact O-CG1 3.3Å; S263-F272 PolarHBondContact N-O 2.83Å; S263-F272 PolarHBondContact O-N 3.2Å; S263-W274 PolarHBondContact OG-NE1 3.36Å
264G95.3Very high94Very high0 Ų026.4 Ų26.40%013%0.125CC..EExtended strand (participates in β ladder)trans-67.9171.6167.500000113.7D251 I321D251-G264 PolarHBondContact O-N 2.95Å; D251-G264 VanDerWaalsContact O-N 3.15Å; G264-I321 WeakPolarHBondContact CA-O 3.45Å
265S94.7Very high94Very high2 Ų227.4 Ų27.41%0.01413%0.13CC..BIsolated β-bridgetrans-141.7137.7172.9-175.50000110.2T244 K267 L270 I321T244-S265 PolarHBondContact N-OG 3.42Å; T244-S265 WeakPolarHBondContact O-CA 3.33Å; S265-K267 PolarHBondContact O-N 3.41Å; S265-K267 PolarHBondContact OG-N 3.15Å; S265-K267 PolarHBondContact OG-O 2.9Å; S265-K267 VanDerWaalsContact OG-O 3.13Å; S265-L270 WeakPolarHBondContact CB-O 3.39Å; S265-L270 PolarHBondContact N-O 2.88Å; S265-L270 VanDerWaalsContact N-O 3.09Å; S265-I321 PolarHBondContact N-O 2.98Å; S265-I321 PolarHBondContact O-N 2.84Å
266E93Very high94.1Very high10 Ų1028.9 Ų28.95%0.04714%0.137CC..SBendtrans-68.9-25.2171.8-69.3-177.7-159.100112.6T244 N245 Q246 T247 Y248 M250 N318T244-E266 HydrophobicContact CG2-CB 4.17Å; T244-E266 PolarHBondContact O-N 2.95Å; N245-E266 WeakPolarHBondContact CA-OE1 3.48Å; Q246-E266 PolarHBondContact N-OE1 2.85Å; T247-E266 WeakPolarHBondContact CB-OE2 3.34Å; T247-E266 VanDerWaalsContact N-CD 3.33Å; T247-E266 PolarHBondContact N-OE1 3.41Å; T247-E266 PolarHBondContact N-OE2 2.75Å; T247-E266 PolarHBondContact OG1-OE2 3.41Å; Y248-E266 HydrophobicContact CD2-CG 4.14Å; Y248-E266 PolarHBondContact N-OE1 2.93Å; M250-E266 HydrophobicContact CE-CG 3.72Å; M250-E266 HydrophobicContact CG-CG 4.08Å; M250-E266 HydrophobicContact SD-CG 3.81Å; E266-N318 PolarHBondContact O-ND2 2.82Å; E266-N318 PolarHBondContact O-OD1 2.88Å
267K88.5Confident94.2Very high109 Ų10934.2 Ų34.247%0.47416%0.164SC..SBendtrans-103.6140.2-175-156.7-164.3170.6-162.90110.7T244 S265 G269T244-K267 HydrophobicContact CG2-CB 4.36Å; S265-K267 PolarHBondContact O-N 3.41Å; S265-K267 PolarHBondContact OG-N 3.15Å; S265-K267 PolarHBondContact OG-O 2.9Å; S265-K267 VanDerWaalsContact OG-O 3.13Å; K267-G269 PolarHBondContact O-N 3.32Å; K267-G269 VanDerWaalsContact O-N 3.1Å
268D84.4Confident94.2Very high62 Ų6236.5 Ų36.533%0.33217%0.165SC..THydrogen-bonded Turntrans63.415.7163.7-60.4-33.5000114.6L270 Q289D268-L270 HydrophobicContact CB-CD1 3.99Å; D268-L270 HydrophobicContact CB-CG 3.89Å; D268-L270 WeakPolarHBondContact O-CD2 3.25Å; D268-L270 WeakPolarHBondContact O-CG 3.46Å; D268-L270 PolarHBondContact O-N 3.28Å; D268-Q289 WeakPolarHBondContact O-CG 3.5Å; D268-Q289 PolarHBondContact O-NE2 3.3Å
269G88.9Confident93.9Very high0 Ų037 Ų370%017%0.171CC..THydrogen-bonded Turntrans64.227.7177.100000113.9K267 H288 F319K267-G269 PolarHBondContact O-N 3.32Å; K267-G269 VanDerWaalsContact O-N 3.1Å; G269-H288 VanDerWaalsContact O-CB 3.24Å; G269-H288 WeakPolarHBondContact O-CB 3.41Å; G269-H288 PolarHBondContact O-N 2.91Å; G269-H288 PolarHBondContact O-ND1 2.82Å; G269-H288 VanDerWaalsContact O-ND1 3.15Å; G269-F319 WeakPolarHBondContact CA-O 3.33Å; G269-F319 PolarHBondContact N-O 3.23Å
270L93.3Very high93.6Very high33 Ų3337 Ų3717%0.17318%0.179CC..EExtended strand (participates in β ladder)trans-95.3146.7-172.2-57.6-179.5000112.3S265 D268 F272 T285 L286 D287S265-L270 WeakPolarHBondContact CB-O 3.39Å; S265-L270 PolarHBondContact N-O 2.88Å; S265-L270 VanDerWaalsContact N-O 3.09Å; D268-L270 HydrophobicContact CB-CD1 3.99Å; D268-L270 HydrophobicContact CB-CG 3.89Å; D268-L270 WeakPolarHBondContact O-CD2 3.25Å; D268-L270 WeakPolarHBondContact O-CG 3.46Å; D268-L270 PolarHBondContact O-N 3.28Å; L270-F272 HydrophobicContact CB-CD2 4.41Å; L270-F272 HydrophobicContact CB-CE2 3.75Å; L270-F272 HydrophobicContact CB-CZ 4.18Å; L270-F272 HydrophobicContact CD1-CE2 4.31Å; L270-F272 HydrophobicContact CD1-CZ 3.94Å; L270-T285 HydrophobicContact CB-CG2 3.97Å; L270-T285 HydrophobicContact CD1-CG2 3.95Å; L270-T285 HydrophobicContact CD2-CG2 3.8Å; L270-T285 HydrophobicContact CG-CG2 4.1Å; L270-L286 WeakPolarHBondContact CA-O 3.23Å; L270-D287 HydrophobicContact CD2-CB 4.14Å
271V96.2Very high93.5Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-121.2135.9163.7173.70000108.2I262 S263 T285 L286 H288 I321 V324 T335I262-V271 HydrophobicContact CD1-CG1 3.42Å; I262-V271 VanDerWaalsContact CD1-CG1 3.42Å; I262-V271 HydrophobicContact CG1-CG1 3.56Å; S263-V271 CarbonylContact O-C 3.56Å; S263-V271 WeakPolarHBondContact O-CA 3.41Å; S263-V271 WeakPolarHBondContact O-CG1 3.3Å; V271-T285 CarbonylContact O-C 3.5Å; V271-T285 WeakPolarHBondContact O-CA 3.17Å; V271-L286 HydrophobicContact CB-CB 4.15Å; V271-L286 HydrophobicContact CB-CD1 4.41Å; V271-L286 HydrophobicContact CG1-CD1 4.24Å; V271-L286 PolarHBondContact N-O 3.42Å; V271-L286 PolarHBondContact O-N 3.46Å; V271-H288 VanDerWaalsContact CG2-CE1 3.47Å; V271-H288 WeakPolarHBondContact CG2-CE1 3.33Å; V271-I321 HydrophobicContact CG2-CB 3.73Å; V271-I321 HydrophobicContact CG2-CG1 4.27Å; V271-I321 HydrophobicContact CG2-CG2 3.3Å; V271-V324 HydrophobicContact CG1-CG1 4.08Å; V271-V324 HydrophobicContact CG2-CG1 4.36Å; V271-T335 HydrophobicContact CG2-CG2 4.23Å
272F96.7Very high93.5Very high17 Ų1739.9 Ų39.98%0.07520%0.204CC..EExtended strand (participates in β ladder)trans-108.3137.4-176.8-67.4-93.6000110.7H243 I262 S263 L270 W274 P282 T285H243-F272 HydrophobicContact CB-CD2 3.47Å; H243-F272 VanDerWaalsContact CB-CD2 3.47Å; H243-F272 HydrophobicContact CB-CE2 3.76Å; H243-F272 HydrophobicContact CB-CG 4.19Å; I262-F272 CarbonylContact C-O 3.59Å; I262-F272 WeakPolarHBondContact CA-O 3.4Å; S263-F272 PolarHBondContact N-O 2.83Å; S263-F272 PolarHBondContact O-N 3.2Å; L270-F272 HydrophobicContact CB-CD2 4.41Å; L270-F272 HydrophobicContact CB-CE2 3.75Å; L270-F272 HydrophobicContact CB-CZ 4.18Å; L270-F272 HydrophobicContact CD1-CE2 4.31Å; L270-F272 HydrophobicContact CD1-CZ 3.94Å; F272-W274 HydrophobicContact CB-CD2 4.46Å; F272-W274 HydrophobicContact CB-CH2 4.21Å; F272-W274 HydrophobicContact CB-CZ2 3.36Å; F272-W274 HydrophobicContact CD1-CH2 4.31Å; F272-W274 HydrophobicContact CD1-CZ2 4.23Å; F272-W274 HydrophobicContact CG-CH2 4.33Å; F272-W274 AromaticContact CG-CZ2 3.81Å; F272-W274 HydrophobicContact CG-CZ2 3.81Å; F272-P282 HydrophobicContact CB-CB 4.37Å; F272-P282 HydrophobicContact CD1-CB 3.72Å; F272-P282 HydrophobicContact CD1-CG 3.47Å; F272-P282 VanDerWaalsContact CD1-CG 3.47Å; F272-P282 HydrophobicContact CE1-CG 3.97Å; F272-T285 HydrophobicContact CD1-CG2 4.38Å; F272-T285 HydrophobicContact CE1-CG2 4.14Å; F272-T285 HydrophobicContact CZ-CG2 4.4Å
273V97Very high93.3Very high1 Ų143.2 Ų43.21%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-108.7129.2171.9-175.40000108.1L15 M255 H260 I261 I262 P282 I283 H284 L286L15-V273 HydrophobicContact CD1-CG1 4.23Å; L15-V273 HydrophobicContact CD2-CG1 4.01Å; M255-V273 HydrophobicContact CE-CG1 4.36Å; H260-V273 HydrophobicContact CB-CG1 4.47Å; I261-V273 CarbonylContact O-C 3.03Å; I261-V273 WeakPolarHBondContact O-CA 3.49Å; I262-V273 HydrophobicContact CD1-CB 4.49Å; I262-V273 HydrophobicContact CD1-CG2 3.55Å; V273-P282 CarbonylContact O-C 3.58Å; V273-P282 WeakPolarHBondContact O-CA 3.12Å; V273-I283 PolarHBondContact O-N 2.98Å; V273-H284 HydrophobicContact CB-CB 4.13Å; V273-H284 HydrophobicContact CG2-CB 4.21Å; V273-H284 PolarHBondContact N-O 2.79Å; V273-H284 PolarHBondContact O-N 2.82Å; V273-L286 HydrophobicContact CG2-CG 4.49Å
274W97.2Very high93.1Very high0 Ų046.9 Ų46.90%024%0.238CC..EExtended strand (participates in β ladder)trans-120.7151.9-177.7-3881.6000110.4Y240 T241 H243 H260 I261 S263 F272 P282Y240-W274 HydrophobicContact CD1-CB 3.94Å; Y240-W274 HydrophobicContact CD1-CD2 4.47Å; Y240-W274 HydrophobicContact CD1-CE3 4.41Å; Y240-W274 HydrophobicContact CD1-CG 4.29Å; Y240-W274 HydrophobicContact CE1-CB 4.46Å; T241-W274 WeakPolarHBondContact O-CH2 3.43Å; T241-W274 WeakPolarHBondContact O-CZ3 3.3Å; H243-W274 HydrophobicContact CB-CZ2 4.09Å; H243-W274 AromaticContact ND1-CH2 3.99Å; H243-W274 AromaticContact ND1-CZ2 3.49Å; H243-W274 WeakPolarHBondContact ND1-CZ2 3.44Å; H260-W274 VanDerWaalsContact CA-O 3.25Å; H260-W274 WeakPolarHBondContact CA-O 3.25Å; H260-W274 WeakPolarHBondContact CB-O 3.45Å; I261-W274 HydrophobicContact CB-CB 4.13Å; I261-W274 HydrophobicContact CB-CG 4.38Å; I261-W274 PolarHBondContact N-O 3.44Å; I261-W274 PolarHBondContact O-N 3.24Å; S263-W274 PolarHBondContact OG-NE1 3.36Å; F272-W274 HydrophobicContact CB-CD2 4.46Å; F272-W274 HydrophobicContact CB-CH2 4.21Å; F272-W274 HydrophobicContact CB-CZ2 3.36Å; F272-W274 HydrophobicContact CD1-CH2 4.31Å; F272-W274 HydrophobicContact CD1-CZ2 4.23Å; F272-W274 HydrophobicContact CG-CH2 4.33Å; F272-W274 AromaticContact CG-CZ2 3.81Å; F272-W274 HydrophobicContact CG-CZ2 3.81Å; W274-P282 HydrophobicContact CD2-CB 4.31Å; W274-P282 HydrophobicContact CE3-CB 3.86Å; W274-P282 HydrophobicContact CE3-CG 3.97Å; W274-P282 HydrophobicContact CH2-CB 4.22Å; W274-P282 HydrophobicContact CH2-CG 3.66Å; W274-P282 HydrophobicContact CZ2-CG 4.45Å; W274-P282 HydrophobicContact CZ3-CB 3.83Å; W274-P282 HydrophobicContact CZ3-CG 3.4Å
275D96Very high93.1Very high45 Ų4550.1 Ų50.124%0.24126%0.258CS..EExtended strand (participates in β ladder)trans-76140165.5-171.3-83.1000108.4Y240 I277 R278 I283Y240-D275 VanDerWaalsContact CE1-O 3.25Å; Y240-D275 WeakPolarHBondContact CE1-O 3.49Å; D275-I277 VanDerWaalsContact C-N 3.31Å; D275-I277 PolarHBondContact O-N 2.97Å; D275-I277 WeakPolarHBondContact OD1-CA 3.37Å; D275-I277 PolarHBondContact OD1-N 3.31Å; D275-R278 HydrophobicContact CB-CB 3.88Å; D275-R278 WeakPolarHBondContact CB-O 3.33Å; D275-R278 PolarHBondContact OD1-N 2.82Å; D275-I283 HydrophobicContact CB-CD1 3.74Å; D275-I283 HydrophobicContact CB-CG1 4.06Å; D275-I283 VanDerWaalsContact N-CD1 3.31Å
276F95.5Very high93.1Very high38 Ų3850.2 Ų50.217%0.16726%0.258CS..SBendtrans-69.6-27.9-178.5-179.2-92.4000113.5T211 C216 L228 N238 Y240 L254 D258 R259 I261T211-F276 HydrophobicContact CG2-CE2 3.89Å; T211-F276 HydrophobicContact CG2-CZ 3.85Å; C216-F276 HydrophobicContact CB-CZ 4.48Å; L228-F276 HydrophobicContact CD1-CE2 3.59Å; L228-F276 HydrophobicContact CD1-CZ 3.78Å; L228-F276 HydrophobicContact CD2-CE1 3.91Å; L228-F276 HydrophobicContact CD2-CE2 3.92Å; L228-F276 HydrophobicContact CD2-CZ 3.53Å; L228-F276 HydrophobicContact CG-CE2 4.44Å; L228-F276 HydrophobicContact CG-CZ 4.3Å; N238-F276 PolarHBondContact ND2-O 3.34Å; Y240-F276 PolarHBondContact OH-O 3.02Å; L254-F276 HydrophobicContact CD2-CD2 3.74Å; L254-F276 HydrophobicContact CD2-CE2 3.74Å; D258-F276 WeakPolarHBondContact O-CB 3.44Å; D258-F276 WeakPolarHBondContact O-CD2 3.38Å; D258-F276 WeakPolarHBondContact O-CG 3.46Å; R259-F276 VanDerWaalsContact O-CB 3.27Å; R259-F276 WeakPolarHBondContact O-CB 3.45Å; R259-F276 PolarHBondContact O-N 2.98Å; I261-F276 HydrophobicContact CD1-CD2 4.11Å; I261-F276 HydrophobicContact CG1-CD2 4.22Å
277I94.4Very high93Very high130 Ų13052.6 Ų52.667%0.66727%0.271SS*.SBendtrans-98.6-43.3-178.5-59.6176000109.7N238 D275N238-I277 PolarHBondContact ND2-O 2.59Å; D275-I277 VanDerWaalsContact C-N 3.31Å; D275-I277 PolarHBondContact O-N 2.97Å; D275-I277 WeakPolarHBondContact OD1-CA 3.37Å; D275-I277 PolarHBondContact OD1-N 3.31Å
278R90.9Very high93.1Very high153 Ų15347.4 Ų47.458%0.57725%0.249SC*.  trans-91.8113.7-177.4-63.9-178.755.9-175-4.4111.4D275 D280D275-R278 HydrophobicContact CB-CB 3.88Å; D275-R278 WeakPolarHBondContact CB-O 3.33Å; D275-R278 PolarHBondContact OD1-N 2.82Å; R278-D280 IonicContact CZ-OD2 2.83Å; R278-D280 IonicContact NE-OD1 2.81Å; R278-D280 IonicContact NH2-OD1 3.85Å; R278-D280 IonicContact NH2-OD2 3.56Å; R278-D280 PolarHBondContact NH2-OD2 3.27Å
279S87.2Confident93.1Very high35 Ų3548 Ų4825%0.24525%0.249CC..  trans-108.715.9-176.182.70000114R239R239-S279 WeakPolarHBondContact O-CB 3.47Å; R239-S279 PolarHBondContact O-OG 2.86Å; R239-S279 VanDerWaalsContact O-OG 3.11Å
280D89.2Confident92.6Very high114 Ų11448.6 Ų48.661%0.6125%0.253SS*.SBendtrans-67.5-41-176.551-41.6000112.7R278R278-D280 IonicContact CZ-OD2 2.83Å; R278-D280 IonicContact NE-OD1 2.81Å; R278-D280 IonicContact NH2-OD1 3.85Å; R278-D280 IonicContact NH2-OD2 3.56Å; R278-D280 PolarHBondContact NH2-OD2 3.27Å
281A93.7Very high91.6Very high48 Ų4849.9 Ų49.940%0.39728%0.275SS..SBendtrans-157.9161.117800000110.6
282P95.5Very high90.5Very high39 Ų3950.7 Ų50.725%0.25328%0.283SS..  trans-60.9141.3167.1-2.411.7000110.8F272 V273 W274F272-P282 HydrophobicContact CB-CB 4.37Å; F272-P282 HydrophobicContact CD1-CB 3.72Å; F272-P282 HydrophobicContact CD1-CG 3.47Å; F272-P282 VanDerWaalsContact CD1-CG 3.47Å; F272-P282 HydrophobicContact CE1-CG 3.97Å; V273-P282 CarbonylContact O-C 3.58Å; V273-P282 WeakPolarHBondContact O-CA 3.12Å; W274-P282 HydrophobicContact CD2-CB 4.31Å; W274-P282 HydrophobicContact CE3-CB 3.86Å; W274-P282 HydrophobicContact CE3-CG 3.97Å; W274-P282 HydrophobicContact CH2-CB 4.22Å; W274-P282 HydrophobicContact CH2-CG 3.66Å; W274-P282 HydrophobicContact CZ2-CG 4.45Å; W274-P282 HydrophobicContact CZ3-CB 3.83Å; W274-P282 HydrophobicContact CZ3-CG 3.4Å
283I94.5Very high89.6Confident69 Ų6956.9 Ų56.935%0.35432%0.317SS..SBendtrans-70.9-44.3173.1-52.1170.6000109.9L15 V273 D275L15-I283 HydrophobicContact CD1-CD1 4.45Å; L15-I283 HydrophobicContact CD1-CG2 4.09Å; V273-I283 PolarHBondContact O-N 2.98Å; D275-I283 HydrophobicContact CB-CD1 3.74Å; D275-I283 HydrophobicContact CB-CG1 4.06Å; D275-I283 VanDerWaalsContact N-CD1 3.31Å
284H94.1Very high88.8Confident79 Ų7956.9 Ų56.937%0.36632%0.317SS..EExtended strand (participates in β ladder)trans-142.5155.6-178.8-74.3-75.7000111.4T17 V273T17-H284 HydrophobicContact CG2-CB 4.14Å; V273-H284 HydrophobicContact CB-CB 4.13Å; V273-H284 HydrophobicContact CG2-CB 4.21Å; V273-H284 PolarHBondContact N-O 2.79Å; V273-H284 PolarHBondContact O-N 2.82Å
285T94Very high87.8Confident69 Ų6957.3 Ų57.342%0.42332%0.318SS..EExtended strand (participates in β ladder)trans-124.7126171.8-55.50000108.3L270 V271 F272L270-T285 HydrophobicContact CB-CG2 3.97Å; L270-T285 HydrophobicContact CD1-CG2 3.95Å; L270-T285 HydrophobicContact CD2-CG2 3.8Å; L270-T285 HydrophobicContact CG-CG2 4.1Å; V271-T285 CarbonylContact O-C 3.5Å; V271-T285 WeakPolarHBondContact O-CA 3.17Å; F272-T285 HydrophobicContact CD1-CG2 4.38Å; F272-T285 HydrophobicContact CE1-CG2 4.14Å; F272-T285 HydrophobicContact CZ-CG2 4.4Å
286L94Very high86.6Confident4 Ų458.1 Ų58.12%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-98.4115.9176.8-47.7-178.7000108.8T17 I262 L270 V271 V273 H288 L333 W344T17-L286 HydrophobicContact CG2-CD2 4.15Å; I262-L286 HydrophobicContact CD1-CD1 4.43Å; L270-L286 WeakPolarHBondContact CA-O 3.23Å; V271-L286 HydrophobicContact CB-CB 4.15Å; V271-L286 HydrophobicContact CB-CD1 4.41Å; V271-L286 HydrophobicContact CG1-CD1 4.24Å; V271-L286 PolarHBondContact N-O 3.42Å; V271-L286 PolarHBondContact O-N 3.46Å; V273-L286 HydrophobicContact CG2-CG 4.49Å; L286-H288 PolarHBondContact O-ND1 2.75Å; L286-H288 VanDerWaalsContact O-ND1 3.11Å; L286-L333 HydrophobicContact CD1-CD2 3.68Å; L286-W344 HydrophobicContact CB-CE3 4.36Å; L286-W344 HydrophobicContact CB-CH2 3.66Å; L286-W344 HydrophobicContact CB-CZ2 3.93Å; L286-W344 HydrophobicContact CB-CZ3 3.89Å; L286-W344 HydrophobicContact CD1-CD2 3.93Å; L286-W344 HydrophobicContact CD1-CE3 4.08Å; L286-W344 HydrophobicContact CD1-CG 4.32Å; L286-W344 HydrophobicContact CD1-CZ3 4.44Å; L286-W344 HydrophobicContact CD2-CE3 4.03Å; L286-W344 HydrophobicContact CD2-CZ3 3.94Å; L286-W344 HydrophobicContact CG-CE3 4.39Å; L286-W344 HydrophobicContact CG-CZ3 4.31Å
287D91.3Very high85.3Confident59 Ų5958.5 Ų58.532%0.31634%0.343SS..EExtended strand (participates in β ladder)trans-94.8118.1-175.4-175.62.7000111.3L270 Q289 A294L270-D287 HydrophobicContact CD2-CB 4.14Å; D287-Q289 VanDerWaalsContact OD1-CB 3.26Å; D287-Q289 WeakPolarHBondContact OD1-CB 3.41Å; D287-Q289 VanDerWaalsContact OD1-CG 3.24Å; D287-Q289 WeakPolarHBondContact OD1-CG 3.46Å; D287-Q289 PolarHBondContact OD1-N 2.82Å; D287-A294 WeakPolarHBondContact O-CB 3.49Å
288H91.2Very high83.8Confident0 Ų055.5 Ų55.50%033%0.328CS..  trans-106.28.8178.4-53.863.7000112.6G269 V271 L286 F319 I321 T335 W342 W344G269-H288 VanDerWaalsContact O-CB 3.24Å; G269-H288 WeakPolarHBondContact O-CB 3.41Å; G269-H288 PolarHBondContact O-N 2.91Å; G269-H288 PolarHBondContact O-ND1 2.82Å; G269-H288 VanDerWaalsContact O-ND1 3.15Å; V271-H288 VanDerWaalsContact CG2-CE1 3.47Å; V271-H288 WeakPolarHBondContact CG2-CE1 3.33Å; L286-H288 PolarHBondContact O-ND1 2.75Å; L286-H288 VanDerWaalsContact O-ND1 3.11Å; H288-F319 HydrophobicContact CB-CE1 4.34Å; H288-I321 HydrophobicContact CB-CD1 3.82Å; H288-I321 HydrophobicContact CB-CG1 3.88Å; H288-T335 PolarHBondContact CD2-OG1 2.97Å; H288-T335 PolarHBondContact NE2-OG1 2.79Å; H288-W342 HydrophobicContact CB-CZ2 4.4Å; H288-W342 AromaticContact CD2-CD2 3.62Å; H288-W342 AromaticContact CD2-CE3 3.68Å; H288-W342 AromaticContact CD2-CG 3.92Å; H288-W344 AromaticContact CD2-CZ2 3.71Å; H288-W344 AromaticContact CE1-CE2 3.82Å; H288-W344 AromaticContact CE1-CZ2 3.31Å; H288-W344 WeakPolarHBondContact CE1-CZ2 3.45Å; H288-W344 AromaticContact CE1-NE1 3.94Å; H288-W344 AromaticContact ND1-CZ2 3.83Å; H288-W344 AromaticContact NE2-CE2 3.49Å; H288-W344 AromaticContact NE2-CZ2 3.24Å; H288-W344 WeakPolarHBondContact NE2-CZ2 3.33Å; H288-W344 AromaticContact NE2-NE1 3.26Å; H288-W344 PolarHBondContact NE2-NE1 2.81Å
289Q84.2Confident82.2Confident75 Ų7548.5 Ų48.535%0.3530%0.302SS..SBendtrans-59.6146.9-178-72.6-172.75.400112.2D268 D287 G291 G292D268-Q289 WeakPolarHBondContact O-CG 3.5Å; D268-Q289 PolarHBondContact O-NE2 3.3Å; D287-Q289 VanDerWaalsContact OD1-CB 3.26Å; D287-Q289 WeakPolarHBondContact OD1-CB 3.41Å; D287-Q289 VanDerWaalsContact OD1-CG 3.24Å; D287-Q289 WeakPolarHBondContact OD1-CG 3.46Å; D287-Q289 PolarHBondContact OD1-N 2.82Å; Q289-G291 PolarHBondContact O-N 2.94Å; Q289-G291 VanDerWaalsContact O-N 3.12Å; Q289-G292 PolarHBondContact O-N 2.8Å
290P78.3Confident80.7Confident13 Ų1351.2 Ų51.28%0.08432%0.319CS..THydrogen-bonded Turntrans-58.8117.2172.1-22.232.4000112.9W295 I311 A314 K315P290-W295 VanDerWaalsContact CA-CD2 3.43Å; P290-W295 HydrophobicContact CB-CD2 3.98Å; P290-W295 HydrophobicContact CB-CE3 4.22Å; P290-W295 HydrophobicContact CB-CH2 4.26Å; P290-W295 HydrophobicContact CB-CZ2 4Å; P290-W295 HydrophobicContact CB-CZ3 4.35Å; P290-W295 HydrophobicContact CG-CD2 4.41Å; P290-W295 HydrophobicContact CG-CE3 4.16Å; P290-W295 HydrophobicContact CG-CH2 3.93Å; P290-W295 HydrophobicContact CG-CZ2 4.17Å; P290-W295 HydrophobicContact CG-CZ3 3.92Å; P290-I311 HydrophobicContact CB-CG2 4.14Å; P290-A314 HydrophobicContact CB-CB 4.1Å; P290-A314 HydrophobicContact CG-CB 3.45Å; P290-A314 VanDerWaalsContact CG-CB 3.45Å; P290-K315 HydrophobicContact CB-CG 3.86Å; P290-K315 HydrophobicContact CG-CG 4.39Å; P290-K315 WeakPolarHBondContact O-CE 3.4Å
291G71.8Confident79Confident60 Ų6052.5 Ų52.562%0.61932%0.321SS*.THydrogen-bonded Turntrans95-6.8-174.600000114.9Q289Q289-G291 PolarHBondContact O-N 2.94Å; Q289-G291 VanDerWaalsContact O-N 3.12Å
292G73.7Confident77Confident17 Ų1752.8 Ų52.818%0.17532%0.316CS..SBendtrans-74.2173.8169.100000112.8Q289 A294 W295Q289-G292 PolarHBondContact O-N 2.8Å; G292-A294 VanDerWaalsContact C-N 3.3Å; G292-A294 PolarHBondContact O-N 2.9Å; G292-W295 WeakPolarHBondContact O-CB 3.38Å; G292-W295 PolarHBondContact O-N 2.87Å
293N77.1Confident74.8Confident147 Ų14755.5 Ų55.579%0.78633%0.334SS*.G310 helixtrans-55.5-41-173.1-69.4-5.4000113.2W295N293-W295 VanDerWaalsContact C-N 3.29Å; N293-W295 PolarHBondContact O-N 3.17Å
294A81Confident72.8Confident0 Ų057.6 Ų57.60%034%0.342CS..G310 helixtrans-75.1-15.5-179.600000114.2P19 D287 G292 W342 W344P19-A294 HydrophobicContact CB-CB 3.64Å; P19-A294 HydrophobicContact CG-CB 4.12Å; D287-A294 WeakPolarHBondContact O-CB 3.49Å; G292-A294 VanDerWaalsContact C-N 3.3Å; G292-A294 PolarHBondContact O-N 2.9Å; A294-W342 PolarHBondContact O-NE1 2.96Å; A294-W344 HydrophobicContact CB-CH2 3.48Å; A294-W344 VanDerWaalsContact CB-CH2 3.48Å; A294-W344 HydrophobicContact CB-CZ2 3.69Å; A294-W344 HydrophobicContact CB-CZ3 4.37Å
295W76.4Confident70.9Confident9 Ų958.7 Ų58.73%0.03436%0.358CS..G310 helixtrans-78.5-30.5-177.7-165.1-92.1000112.7R22 P290 G292 N293 A314 F319 F340 W342R22-W295 VanDerWaalsContact NH1-CD1 3.3Å; R22-W295 VanDerWaalsContact NH1-NE1 3.13Å; R22-W295 PolarHBondContact NH1-O 2.89Å; R22-W295 PolarHBondContact NH2-O 3Å; P290-W295 VanDerWaalsContact CA-CD2 3.43Å; P290-W295 HydrophobicContact CB-CD2 3.98Å; P290-W295 HydrophobicContact CB-CE3 4.22Å; P290-W295 HydrophobicContact CB-CH2 4.26Å; P290-W295 HydrophobicContact CB-CZ2 4Å; P290-W295 HydrophobicContact CB-CZ3 4.35Å; P290-W295 HydrophobicContact CG-CD2 4.41Å; P290-W295 HydrophobicContact CG-CE3 4.16Å; P290-W295 HydrophobicContact CG-CH2 3.93Å; P290-W295 HydrophobicContact CG-CZ2 4.17Å; P290-W295 HydrophobicContact CG-CZ3 3.92Å; G292-W295 WeakPolarHBondContact O-CB 3.38Å; G292-W295 PolarHBondContact O-N 2.87Å; N293-W295 VanDerWaalsContact C-N 3.29Å; N293-W295 PolarHBondContact O-N 3.17Å; W295-A314 HydrophobicContact CH2-CB 4.11Å; W295-A314 HydrophobicContact CZ2-CB 4.28Å; W295-F319 HydrophobicContact CZ3-CE1 4.42Å; W295-F319 HydrophobicContact CZ3-CE2 4.36Å; W295-F319 HydrophobicContact CZ3-CZ 4.17Å; W295-F340 HydrophobicContact CH2-CD2 4.15Å; W295-F340 AromaticContact CH2-CE2 3.69Å; W295-F340 HydrophobicContact CH2-CE2 3.69Å; W295-F340 HydrophobicContact CH2-CZ 4.04Å; W295-F340 HydrophobicContact CZ2-CE2 4.45Å; W295-F340 HydrophobicContact CZ2-CZ 4.4Å; W295-F340 HydrophobicContact CZ3-CD2 4.42Å; W295-F340 HydrophobicContact CZ3-CE2 4.39Å; W295-W342 AromaticContact CE3-CZ2 3.98Å; W295-W342 HydrophobicContact CE3-CZ2 3.98Å; W295-W342 HydrophobicContact CZ3-CH2 4.31Å; W295-W342 AromaticContact CZ3-CZ2 3.92Å; W295-W342 HydrophobicContact CZ3-CZ2 3.92Å
296G69.6Low69.1Low62 Ų6256.6 Ų56.664%0.63935%0.346SS*.SBendtrans-79-17-178.200000114.7L298G296-L298 VanDerWaalsContact C-N 3.33Å; G296-L298 PolarHBondContact O-N 2.78Å
297V69.9Low67.3Low47 Ų4758.9 Ų58.929%0.28536%0.362SS..  trans-81.379.9-175.5-165.30000110.3P19 Y20 R22P19-V297 HydrophobicContact CB-CG2 4.1Å; P19-V297 HydrophobicContact CG-CG2 3.98Å; Y20-V297 WeakPolarHBondContact O-CG1 3.43Å; R22-V297 PolarHBondContact N-O 3.45Å
298L62.5Low65.8Low67 Ų6763.2 Ų63.235%0.35138%0.38SS..BIsolated β-bridgetrans-76.3146.8176.5-75.5169.1000111.7G296G296-L298 VanDerWaalsContact C-N 3.33Å; G296-L298 PolarHBondContact O-N 2.78Å
299S57.1Low64.3Low6 Ų668.9 Ų68.94%0.04241%0.41CS..  trans-59.3128.2161.4160.30000110.1F59 H301 N302F59-S299 WeakPolarHBondContact CB-OG 3.38Å; F59-S299 WeakPolarHBondContact CD2-OG 3.43Å; F59-S299 VanDerWaalsContact CG-CB 3.46Å; F59-S299 WeakPolarHBondContact CG-OG 3.37Å; S299-H301 PolarHBondContact O-N 2.78Å; S299-H301 VanDerWaalsContact O-N 3.08Å; S299-H301 PolarHBondContact OG-N 2.91Å; S299-N302 CarbonylContact O-C 3.55Å; S299-N302 PolarHBondContact O-N 3.43Å; S299-N302 VanDerWaalsContact O-N 3.1Å; S299-N302 PolarHBondContact OG-N 2.84Å
300P54.6Low63.3Low92 Ų9268.6 Ų68.660%0.59741%0.41SS*.THydrogen-bonded Turntrans-58.2-19171.420-32.4000114F59F59-P300 HydrophobicContact CD2-CG 3.92Å; F59-P300 HydrophobicContact CE2-CG 3.71Å
301H53.6Low62.7Low140 Ų14070 Ų7065%0.64842%0.416SS*.THydrogen-bonded Turntrans-95.9-7.7179.3-67.2-58.7000114.3N58 S299 P303N58-H301 PolarHBondContact O-CD2 2.94Å; N58-H301 VanDerWaalsContact O-CD2 3.28Å; S299-H301 PolarHBondContact O-N 2.78Å; S299-H301 VanDerWaalsContact O-N 3.08Å; S299-H301 PolarHBondContact OG-N 2.91Å; H301-P303 VanDerWaalsContact C-CD 3.47Å
302N53.3Low62.2Low54 Ų5472.5 Ų72.529%0.28941%0.412SS..  trans-129.467.7167.5-163.111.7000110.1S299 E304S299-N302 CarbonylContact O-C 3.55Å; S299-N302 PolarHBondContact O-N 3.43Å; S299-N302 VanDerWaalsContact O-N 3.1Å; S299-N302 PolarHBondContact OG-N 2.84Å; N302-E304 PolarHBondContact O-N 3.13Å
303P47.7Very low61.5Low97 Ų9775.4 Ų75.463%0.6343%0.426SS*.  trans-79.638.3179.537.9-37.3000110.8H301 S305H301-P303 VanDerWaalsContact C-CD 3.47Å; P303-S305 VanDerWaalsContact C-N 3.35Å; P303-S305 PolarHBondContact O-N 2.89Å
304E54Low60.8Low113 Ų11369.1 Ų69.153%0.52840%0.395SS..  trans-59.1109.5162.1-78-170.6172.400105.9N302 V306N302-E304 PolarHBondContact O-N 3.13Å; E304-V306 VanDerWaalsContact C-N 3.27Å; E304-V306 PolarHBondContact O-N 2.68Å
305S53Low60Low101 Ų10175.5 Ų75.571%0.70642%0.423SS*.  trans-54.6105.2161.157.80000104.5P303 S307P303-S305 VanDerWaalsContact C-N 3.35Å; P303-S305 PolarHBondContact O-N 2.89Å; S305-S307 PolarHBondContact O-N 2.88Å
306V56.4Low59Low26 Ų2679.5 Ų79.516%0.15845%0.452CS..  trans-52.3113.2171.3179.10000104.4E304 E308 I310 I311E304-V306 VanDerWaalsContact C-N 3.27Å; E304-V306 PolarHBondContact O-N 2.68Å; V306-E308 PolarHBondContact O-N 3.42Å; V306-I310 HydrophobicContact CG1-CB 3.57Å; V306-I310 HydrophobicContact CG1-CD1 4.39Å; V306-I310 HydrophobicContact CG1-CG2 3.43Å; V306-I310 VanDerWaalsContact CG1-CG2 3.43Å; V306-I311 HydrophobicContact CB-CG1 4.4Å; V306-I311 HydrophobicContact CG1-CG1 3.84Å
307S55.8Low58.6Low51 Ų5180.8 Ų80.836%0.35745%0.447SS..  trans-55.4143.6-175.463.30000107.9S305 L309 I310 I311S305-S307 PolarHBondContact O-N 2.88Å; S307-L309 PolarHBondContact O-N 3.29Å; S307-I310 WeakPolarHBondContact O-CA 3.34Å; S307-I310 PolarHBondContact O-N 3.17Å; S307-I310 WeakPolarHBondContact OG-CD1 3.15Å; S307-I310 VanDerWaalsContact OG-CG1 3.31Å; S307-I310 WeakPolarHBondContact OG-CG1 3.23Å; S307-I310 PolarHBondContact OG-N 3.29Å; S307-I311 PolarHBondContact O-N 3.46Å
308E61.3Low58.5Low151 Ų15183.1 Ų83.171%0.70646%0.458SS*.Hα-helixtrans-52.3-32.9178.9-167.3166.5-162.800111V306 I310 I311 E312V306-E308 PolarHBondContact O-N 3.42Å; E308-I310 PolarHBondContact O-N 2.81Å; E308-I311 WeakPolarHBondContact O-CB 3.27Å; E308-I311 PolarHBondContact O-N 3.25Å; E308-I311 VanDerWaalsContact O-N 3.16Å; E308-E312 WeakPolarHBondContact O-CG 3.25Å; E308-E312 PolarHBondContact O-N 2.99Å
309L58.4Low59.3Low119 Ų11981 Ų8162%0.62345%0.446SS*.Hα-helixtrans-58-43.1171.7-159.486.4000113.9S307 I311 E312 T313S307-L309 PolarHBondContact O-N 3.29Å; L309-I311 VanDerWaalsContact C-N 3.34Å; L309-E312 PolarHBondContact O-N 3.31Å; L309-T313 VanDerWaalsContact O-CB 3.31Å; L309-T313 WeakPolarHBondContact O-CB 3.49Å; L309-T313 PolarHBondContact O-N 3.34Å; L309-T313 PolarHBondContact O-OG1 3.23Å
310I64.5Low60.8Low68 Ų6882.3 Ų82.335%0.34945%0.452SS..Hα-helixtrans-67.9-37.2176.3-67.4163.9000110V306 S307 E308 A314V306-I310 HydrophobicContact CG1-CB 3.57Å; V306-I310 HydrophobicContact CG1-CD1 4.39Å; V306-I310 HydrophobicContact CG1-CG2 3.43Å; V306-I310 VanDerWaalsContact CG1-CG2 3.43Å; S307-I310 WeakPolarHBondContact O-CA 3.34Å; S307-I310 PolarHBondContact O-N 3.17Å; S307-I310 WeakPolarHBondContact OG-CD1 3.15Å; S307-I310 VanDerWaalsContact OG-CG1 3.31Å; S307-I310 WeakPolarHBondContact OG-CG1 3.23Å; S307-I310 PolarHBondContact OG-N 3.29Å; E308-I310 PolarHBondContact O-N 2.81Å; I310-A314 WeakPolarHBondContact O-CB 3.39Å; I310-A314 PolarHBondContact O-N 2.89Å
311I64.5Low62.6Low42 Ų4277.9 Ų77.922%0.21542%0.423CS..Hα-helixtrans-64.2-48.6174.7-63.4173000110.3P290 V306 S307 E308 L309 T313 A314 K315P290-I311 HydrophobicContact CB-CG2 4.14Å; V306-I311 HydrophobicContact CB-CG1 4.4Å; V306-I311 HydrophobicContact CG1-CG1 3.84Å; S307-I311 PolarHBondContact O-N 3.46Å; E308-I311 WeakPolarHBondContact O-CB 3.27Å; E308-I311 PolarHBondContact O-N 3.25Å; E308-I311 VanDerWaalsContact O-N 3.16Å; L309-I311 VanDerWaalsContact C-N 3.34Å; I311-T313 PolarHBondContact O-N 3.06Å; I311-A314 PolarHBondContact O-N 3.23Å; I311-K315 HydrophobicContact CG2-CD 4.13Å; I311-K315 HydrophobicContact CG2-CG 4.38Å; I311-K315 WeakPolarHBondContact O-CB 3.43Å; I311-K315 VanDerWaalsContact O-CG 3.3Å; I311-K315 WeakPolarHBondContact O-CG 3.46Å; I311-K315 PolarHBondContact O-N 2.87Å
312E60.8Low64.5Low114 Ų11472 Ų7253%0.53340%0.396SS..Hα-helixtrans-60.9-44.5177.7-74.5-178.2159.900111.8E308 L309 A314 K315 S316E308-E312 WeakPolarHBondContact O-CG 3.25Å; E308-E312 PolarHBondContact O-N 2.99Å; L309-E312 PolarHBondContact O-N 3.31Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 2.9Å; E312-K315 PolarHBondContact O-N 2.79Å; E312-S316 PolarHBondContact O-N 3.13Å
313T60.6Low66.6Low78 Ų7869.5 Ų69.548%0.47938%0.382SS..Hα-helixtrans-62.3-44.1175.7-52.30000110.3L309 I311 K315 S316 V317L309-T313 VanDerWaalsContact O-CB 3.31Å; L309-T313 WeakPolarHBondContact O-CB 3.49Å; L309-T313 PolarHBondContact O-N 3.34Å; L309-T313 PolarHBondContact O-OG1 3.23Å; I311-T313 PolarHBondContact O-N 3.06Å; T313-K315 PolarHBondContact O-N 3.05Å; T313-S316 PolarHBondContact O-N 2.95Å; T313-S316 VanDerWaalsContact O-N 3.17Å; T313-S316 PolarHBondContact O-OG 2.76Å; T313-V317 WeakPolarHBondContact O-CG2 3.14Å; T313-V317 PolarHBondContact O-N 2.89Å
314A61.2Low69Low15 Ų1565.1 Ų65.112%0.12435%0.354CS..Hα-helixtrans-66.1-35.6177.600000112.5P290 W295 I310 I311 E312 S316 V317P290-A314 HydrophobicContact CB-CB 4.1Å; P290-A314 HydrophobicContact CG-CB 3.45Å; P290-A314 VanDerWaalsContact CG-CB 3.45Å; W295-A314 HydrophobicContact CH2-CB 4.11Å; W295-A314 HydrophobicContact CZ2-CB 4.28Å; I310-A314 WeakPolarHBondContact O-CB 3.39Å; I310-A314 PolarHBondContact O-N 2.89Å; I311-A314 PolarHBondContact O-N 3.23Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 2.9Å; A314-S316 VanDerWaalsContact C-N 3.3Å; A314-S316 PolarHBondContact O-N 2.99Å; A314-V317 PolarHBondContact O-N 2.83Å; A314-V317 VanDerWaalsContact O-O 3.08Å
315K64.1Low71.1Confident134 Ų13460.4 Ų60.458%0.58333%0.333SS*.Hα-helixtrans-66.1-31.1172.7-74.5178.4177.3176.10112.5P290 I311 E312 T313 V317P290-K315 HydrophobicContact CB-CG 3.86Å; P290-K315 HydrophobicContact CG-CG 4.39Å; P290-K315 WeakPolarHBondContact O-CE 3.4Å; I311-K315 HydrophobicContact CG2-CD 4.13Å; I311-K315 HydrophobicContact CG2-CG 4.38Å; I311-K315 WeakPolarHBondContact O-CB 3.43Å; I311-K315 VanDerWaalsContact O-CG 3.3Å; I311-K315 WeakPolarHBondContact O-CG 3.46Å; I311-K315 PolarHBondContact O-N 2.87Å; E312-K315 PolarHBondContact O-N 2.79Å; T313-K315 PolarHBondContact O-N 3.05Å; K315-V317 VanDerWaalsContact C-N 3.33Å
316S56.3Low73.2Confident93 Ų9356.9 Ų56.965%0.6531%0.308SS*.Hα-helixtrans-79-13.6179.472.40000114.5E312 T313 A314E312-S316 PolarHBondContact O-N 3.13Å; T313-S316 PolarHBondContact O-N 2.95Å; T313-S316 VanDerWaalsContact O-N 3.17Å; T313-S316 PolarHBondContact O-OG 2.76Å; A314-S316 VanDerWaalsContact C-N 3.3Å; A314-S316 PolarHBondContact O-N 2.99Å
317V61.9Low75.1Confident88 Ų8856.3 Ų56.353%0.53330%0.304SS..SBendtrans-107.1140.1-178.8-179.70000108.8T313 A314 K315 F319T313-V317 WeakPolarHBondContact O-CG2 3.14Å; T313-V317 PolarHBondContact O-N 2.89Å; A314-V317 PolarHBondContact O-N 2.83Å; A314-V317 VanDerWaalsContact O-O 3.08Å; K315-V317 VanDerWaalsContact C-N 3.33Å; V317-F319 PolarHBondContact O-N 3.41Å
318N66.8Low76.8Confident96 Ų9657.1 Ų57.151%0.51331%0.308SS..  trans-59.4106170.5-174.736000109E266E266-N318 PolarHBondContact O-ND2 2.82Å; E266-N318 PolarHBondContact O-OD1 2.88Å
319F79Confident78.2Confident22 Ų2257.3 Ų57.310%0.09631%0.306CS..  trans-84.8115.9-179.3-158.7-99.3000108.1G269 H288 W295 V317 I321 F340 W342G269-F319 WeakPolarHBondContact CA-O 3.33Å; G269-F319 PolarHBondContact N-O 3.23Å; H288-F319 HydrophobicContact CB-CE1 4.34Å; W295-F319 HydrophobicContact CZ3-CE1 4.42Å; W295-F319 HydrophobicContact CZ3-CE2 4.36Å; W295-F319 HydrophobicContact CZ3-CZ 4.17Å; V317-F319 PolarHBondContact O-N 3.41Å; F319-I321 HydrophobicContact CD1-CD1 4.28Å; F319-I321 HydrophobicContact CE1-CD1 3.67Å; F319-F340 HydrophobicContact CE2-CD2 4.3Å; F319-F340 HydrophobicContact CZ-CD2 4.11Å; F319-W342 AromaticContact CE1-CH2 3.53Å; F319-W342 HydrophobicContact CE1-CH2 3.53Å; F319-W342 HydrophobicContact CE1-CZ2 4.35Å; F319-W342 HydrophobicContact CE1-CZ3 4.15Å; F319-W342 AromaticContact CZ-CH2 3.52Å; F319-W342 HydrophobicContact CZ-CH2 3.52Å; F319-W342 HydrophobicContact CZ-CZ2 4.47Å; F319-W342 HydrophobicContact CZ-CZ3 4.21Å
320M89.2Confident79.7Confident34 Ų3456 Ų5617%0.16730%0.297CS..  trans-114.3143.9-179.869.8-179-155.500111Y248 M250 H322 G337Y248-M320 HydrophobicContact CD1-CE 4.48Å; Y248-M320 HydrophobicContact CD2-CE 4.35Å; Y248-M320 HydrophobicContact CD2-SD 3.56Å; Y248-M320 VanDerWaalsContact CD2-SD 3.56Å; Y248-M320 HydrophobicContact CE2-SD 3.95Å; Y248-M320 HydrophobicContact CG-CE 4.16Å; Y248-M320 HydrophobicContact CG-SD 3.96Å; M250-M320 HydrophobicContact CE-CE 4.48Å; M250-M320 HydrophobicContact CE-SD 4.27Å; M320-H322 HydrophobicContact CE-CB 4.25Å; M320-G337 VanDerWaalsContact O-CA 3.3Å; M320-G337 WeakPolarHBondContact O-CA 3.41Å
321I93.4Very high81Confident0 Ų053.1 Ų53.10%028%0.283CS..BIsolated β-bridgetrans-111.1104.3171.2-57.8-61000107.4G264 S265 V271 H288 F319 W342G264-I321 WeakPolarHBondContact CA-O 3.45Å; S265-I321 PolarHBondContact N-O 2.98Å; S265-I321 PolarHBondContact O-N 2.84Å; V271-I321 HydrophobicContact CG2-CB 3.73Å; V271-I321 HydrophobicContact CG2-CG1 4.27Å; V271-I321 HydrophobicContact CG2-CG2 3.3Å; H288-I321 HydrophobicContact CB-CD1 3.82Å; H288-I321 HydrophobicContact CB-CG1 3.88Å; F319-I321 HydrophobicContact CD1-CD1 4.28Å; F319-I321 HydrophobicContact CE1-CD1 3.67Å; I321-W342 HydrophobicContact CD1-CE3 4.31Å; I321-W342 HydrophobicContact CD1-CH2 4.33Å; I321-W342 HydrophobicContact CD1-CZ3 3.77Å
322H93.1Very high82.5Confident17 Ų1751.9 Ų51.98%0.07928%0.276CS..  trans-105.5-15.4-174.363-83.6000113.6V30 R31 M250 D251 M320 A336V30-H322 PolarHBondContact O-CE1 2.86Å; V30-H322 PolarHBondContact O-NE2 2.92Å; R31-H322 PolarHBondContact O-CD2 2.94Å; R31-H322 VanDerWaalsContact O-CD2 3.29Å; R31-H322 PolarHBondContact O-NE2 2.97Å; M250-H322 HydrophobicContact CE-CB 3.35Å; M250-H322 HydrophobicContact SD-CB 3.81Å; D251-H322 VanDerWaalsContact CB-O 3.23Å; D251-H322 WeakPolarHBondContact CB-O 3.38Å; D251-H322 PolarHBondContact N-O 2.83Å; M320-H322 HydrophobicContact CE-CB 4.25Å; H322-A336 PolarHBondContact N-O 3.07Å
323S96.8Very high84.2Confident0 Ų046.5 Ų46.50%025%0.251CS..EExtended strand (participates in β ladder)trans-113.9127.5-179.1-171.50000110.6A33 R34 T335 A336A33-S323 PolarHBondContact N-OG 3.09Å; A33-S323 PolarHBondContact O-OG 3.01Å; R34-S323 PolarHBondContact NH1-OG 2.83Å; S323-T335 CarbonylContact O-C 3.53Å; S323-T335 VanDerWaalsContact O-CA 3.27Å; S323-T335 WeakPolarHBondContact O-CA 3.31Å; S323-A336 PolarHBondContact N-O 3.49Å; S323-A336 PolarHBondContact O-N 2.49Å
324V97.7Very high85.9Confident5 Ų542.8 Ų42.83%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-130.1135.9175-65.30000109.3R34 D251 A253 I262 V271 L333 L334 T335R34-V324 PolarHBondContact NH1-O 3.32Å; D251-V324 HydrophobicContact CB-CG2 3.77Å; A253-V324 HydrophobicContact CB-CG2 4.4Å; I262-V324 HydrophobicContact CG1-CB 4.31Å; I262-V324 HydrophobicContact CG1-CG1 4.15Å; I262-V324 HydrophobicContact CG2-CB 4.14Å; I262-V324 HydrophobicContact CG2-CG2 3.92Å; V271-V324 HydrophobicContact CG1-CG1 4.08Å; V271-V324 HydrophobicContact CG2-CG1 4.36Å; V324-L333 HydrophobicContact CB-CD1 4.45Å; V324-L334 CarbonylContact C-O 3.53Å; V324-T335 HydrophobicContact CG1-CG2 4.22Å
325S97.6Very high87.7Confident14 Ų1442.1 Ų42.110%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-142.798.7179.4-179.50000109.2A33 F35 L334A33-S325 VanDerWaalsContact O-CB 3.31Å; A33-S325 WeakPolarHBondContact O-CB 3.25Å; F35-S325 VanDerWaalsContact CD2-O 3.31Å; F35-S325 WeakPolarHBondContact CD2-O 3.41Å; F35-S325 VanDerWaalsContact CE2-O 3.26Å; F35-S325 WeakPolarHBondContact CE2-O 3.43Å; F35-S325 PolarHBondContact N-OG 2.92Å; F35-S325 VanDerWaalsContact N-OG 3.16Å; S325-L334 PolarHBondContact N-O 2.94Å; S325-L334 PolarHBondContact O-N 2.86Å
326P97.4Very high89.1Confident28 Ų2835.7 Ų35.718%0.18220%0.195CC..EExtended strand (participates in β ladder)trans-59.7143.5170.9-25.436.1000111.4A253 M255 I262 L333A253-P326 HydrophobicContact CB-CG 3.83Å; M255-P326 HydrophobicContact CB-CB 4.15Å; M255-P326 HydrophobicContact CB-CG 4.08Å; M255-P326 HydrophobicContact CG-CB 4.01Å; M255-P326 HydrophobicContact CG-CG 4.39Å; M255-P326 HydrophobicContact SD-CB 4.43Å; I262-P326 HydrophobicContact CG2-CG 3.95Å; P326-L333 HydrophobicContact CG-CD1 4.23Å
327H96.4Very high90.8Very high13 Ų1331.3 Ų31.36%0.0616%0.164CC..  trans-69.1138.3174.1-175.4-76.9000110.2F35 G39 Y57 K329 Q330 K332F35-H327 HydrophobicContact CD2-CB 4.14Å; F35-H327 AromaticContact CE1-CD2 3.74Å; F35-H327 HydrophobicContact CE2-CB 3.76Å; F35-H327 HydrophobicContact CZ-CB 4.06Å; F35-H327 AromaticContact CZ-CD2 3.89Å; G39-H327 VanDerWaalsContact CA-NE2 3.31Å; G39-H327 WeakPolarHBondContact CA-NE2 3.36Å; G39-H327 PolarHBondContact O-CD2 2.77Å; G39-H327 PolarHBondContact O-NE2 2.9Å; G39-H327 VanDerWaalsContact O-NE2 3.12Å; Y57-H327 PolarHBondContact OH-CD2 2.94Å; Y57-H327 PolarHBondContact OH-NE2 3.11Å; H327-K329 PolarHBondContact ND1-N 2.88Å; H327-K329 VanDerWaalsContact ND1-N 3.16Å; H327-K329 PolarHBondContact O-N 2.86Å; H327-K329 VanDerWaalsContact O-N 3.14Å; H327-Q330 WeakPolarHBondContact ND1-CB 3.23Å; H327-Q330 PolarHBondContact ND1-N 3.19Å; H327-K332 HydrophobicContact CB-CB 3.69Å; H327-K332 VanDerWaalsContact CB-O 3.26Å; H327-K332 WeakPolarHBondContact CB-O 3.25Å; H327-K332 PolarHBondContact N-O 3.07Å
328P92Very high92.2Very high69 Ų6928.7 Ų28.745%0.44816%0.155SC..SBendtrans-65.7-21.6-171.123.2-34.8000115
329K89.9Confident93.3Very high154 Ų15425.8 Ų25.867%0.6714%0.139SC*.SBendtrans-136-13.1-170.9-60.2-178.8-177.4175.80116.5H327H327-K329 PolarHBondContact ND1-N 2.88Å; H327-K329 VanDerWaalsContact ND1-N 3.16Å; H327-K329 PolarHBondContact O-N 2.86Å; H327-K329 VanDerWaalsContact O-N 3.14Å
330Q90.9Very high93.9Very high92 Ų9225.3 Ų25.343%0.4314%0.137SC..SBendtrans-130.1160.1-169.5-64.9-177.85.900107.5H327 K332H327-Q330 WeakPolarHBondContact ND1-CB 3.23Å; H327-Q330 PolarHBondContact ND1-N 3.19Å; Q330-K332 HydrophobicContact CB-CD 4.44Å; Q330-K332 HydrophobicContact CB-CG 4.42Å; Q330-K332 PolarHBondContact O-N 3.29Å
331S91.5Very high94.2Very high8 Ų823.7 Ų23.76%0.05613%0.129CC..SBendtrans-81.874.1174.7-151.50000110.6G14 P16 A346G14-S331 WeakPolarHBondContact O-CB 3.44Å; G14-S331 PolarHBondContact O-OG 3.15Å; P16-S331 WeakPolarHBondContact CD-OG 3.33Å; S331-A346 PolarHBondContact O-N 3.45Å
332K95Very high94.2Very high16 Ų1623.7 Ų23.77%0.0713%0.129CC..EExtended strand (participates in β ladder)trans-135.1151.3177.2-70.1176.3-177.3-75.30108.7Y57 H327 Q330 L343 W344 D345Y57-K332 HydrophobicContact CE1-CD 3.86Å; H327-K332 HydrophobicContact CB-CB 3.69Å; H327-K332 VanDerWaalsContact CB-O 3.26Å; H327-K332 WeakPolarHBondContact CB-O 3.25Å; H327-K332 PolarHBondContact N-O 3.07Å; Q330-K332 HydrophobicContact CB-CD 4.44Å; Q330-K332 HydrophobicContact CB-CG 4.42Å; Q330-K332 PolarHBondContact O-N 3.29Å; K332-L343 HydrophobicContact CB-CD1 4.44Å; K332-W344 WeakPolarHBondContact CA-O 3.26Å; K332-W344 WeakPolarHBondContact CB-O 3.31Å; K332-D345 WeakPolarHBondContact CG-OD1 3.23Å; K332-D345 IonicContact NZ-OD1 2.63Å; K332-D345 PolarHBondContact NZ-OD1 3.34Å; K332-D345 VanDerWaalsContact NZ-OD1 3.13Å; K332-D345 IonicContact NZ-OD2 3.91Å; K332-D345 PolarHBondContact NZ-OD2 3.01Å
333L97.1Very high94.3Very high0 Ų023 Ų230%013%0.126CC..EExtended strand (participates in β ladder)trans-135134.4179.4173.472.4000109.7P16 I262 L286 V324 P326 T335 L343 W344P16-L333 HydrophobicContact CB-CB 4.1Å; P16-L333 HydrophobicContact CG-CB 3.8Å; I262-L333 HydrophobicContact CD1-CD2 3.43Å; I262-L333 VanDerWaalsContact CD1-CD2 3.43Å; I262-L333 HydrophobicContact CG1-CD1 4.11Å; I262-L333 HydrophobicContact CG1-CD2 3.81Å; I262-L333 HydrophobicContact CG2-CD1 4.39Å; L286-L333 HydrophobicContact CD1-CD2 3.68Å; V324-L333 HydrophobicContact CB-CD1 4.45Å; P326-L333 HydrophobicContact CG-CD1 4.23Å; L333-T335 HydrophobicContact CD1-CG2 4.44Å; L333-T335 HydrophobicContact CD2-CG2 3.65Å; L333-T335 HydrophobicContact CG-CG2 3.76Å; L333-L343 CarbonylContact O-C 3.59Å; L333-W344 HydrophobicContact CB-CB 4.15Å; L333-W344 PolarHBondContact N-O 2.94Å; L333-W344 PolarHBondContact O-N 2.83Å
334L97.4Very high94.2Very high1 Ų123.3 Ų23.31%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-103.1128.9169.3179.871.3000108.4A33 F35 C42 V324 S325 A341 W342A33-L334 HydrophobicContact CB-CD2 3.79Å; A33-L334 HydrophobicContact CB-CG 3.97Å; F35-L334 HydrophobicContact CD2-CB 3.91Å; F35-L334 HydrophobicContact CE2-CB 3.42Å; F35-L334 VanDerWaalsContact CE2-CB 3.42Å; F35-L334 HydrophobicContact CZ-CB 3.81Å; C42-L334 HydrophobicContact CB-CD2 3.56Å; V324-L334 CarbonylContact C-O 3.53Å; S325-L334 PolarHBondContact N-O 2.94Å; S325-L334 PolarHBondContact O-N 2.86Å; L334-A341 HydrophobicContact CD1-CB 4.33Å; L334-W342 CarbonylContact C-O 3.52Å; L334-W342 WeakPolarHBondContact CA-O 3.28Å
335T97.3Very high94Very high0 Ų025.2 Ų25.20%014%0.137CC..EExtended strand (participates in β ladder)trans-125.9154.8175.165.50000110.3V271 H288 S323 V324 L333 A341 W342 W344V271-T335 HydrophobicContact CG2-CG2 4.23Å; H288-T335 PolarHBondContact CD2-OG1 2.97Å; H288-T335 PolarHBondContact NE2-OG1 2.79Å; S323-T335 CarbonylContact O-C 3.53Å; S323-T335 VanDerWaalsContact O-CA 3.27Å; S323-T335 WeakPolarHBondContact O-CA 3.31Å; V324-T335 HydrophobicContact CG1-CG2 4.22Å; L333-T335 HydrophobicContact CD1-CG2 4.44Å; L333-T335 HydrophobicContact CD2-CG2 3.65Å; L333-T335 HydrophobicContact CG-CG2 3.76Å; T335-A341 CarbonylContact O-C 3.48Å; T335-A341 WeakPolarHBondContact O-CA 3.41Å; T335-W342 PolarHBondContact N-O 3.32Å; T335-W342 PolarHBondContact O-N 3.09Å; T335-W344 PolarHBondContact OG1-NE1 3.42Å; T335-W344 VanDerWaalsContact OG1-NE1 3.14Å
336A95.3Very high93.6Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-149.1148.9175.500000113.6V30 A33 H322 S323 F340 A341V30-A336 HydrophobicContact CB-CB 4.46Å; V30-A336 HydrophobicContact CG1-CB 3.79Å; A33-A336 HydrophobicContact CB-CB 3.46Å; A33-A336 VanDerWaalsContact CB-CB 3.46Å; H322-A336 PolarHBondContact N-O 3.07Å; S323-A336 PolarHBondContact N-O 3.49Å; S323-A336 PolarHBondContact O-N 2.49Å; A336-F340 WeakPolarHBondContact CA-O 3.47Å; A336-F340 WeakPolarHBondContact CB-O 3.26Å; A336-A341 HydrophobicContact CB-CB 4.17Å
337G92.2Very high92.7Very high0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-174.2152-178.600000110.7M320 D339 F340M320-G337 VanDerWaalsContact O-CA 3.3Å; M320-G337 WeakPolarHBondContact O-CA 3.41Å; G337-D339 PolarHBondContact O-N 3.26Å; G337-F340 PolarHBondContact N-O 3.27Å; G337-F340 VanDerWaalsContact N-O 3.11Å; G337-F340 PolarHBondContact O-N 2.99Å; G337-F340 VanDerWaalsContact O-N 3.09Å; G337-F340 VanDerWaalsContact O-O 3.12Å
338G89.7Confident91.5Very high33 Ų3334.5 Ų34.534%0.3419%0.19SC..THydrogen-bonded Turntrans56.4-131.3-171.400000111.4A29 V30A29-G338 CarbonylContact C-O 3.46Å; A29-G338 WeakPolarHBondContact CA-O 3.39Å; V30-G338 PolarHBondContact N-O 2.92Å
339D90.9Very high90.1Very high35 Ų3537.1 Ų37.119%0.18720%0.195CC..THydrogen-bonded Turntrans-100.623.2175-160.7-0.6000113.3H24 C25 H26 Q27 S28 G337H24-D339 IonicContact CE1-OD2 3.77Å; H24-D339 PolarHBondContact CE1-OD2 3.33Å; H24-D339 IonicContact ND1-OD2 3.13Å; C25-D339 WeakPolarHBondContact CB-O 3.45Å; C25-D339 PolarHBondContact N-O 3.27Å; H26-D339 WeakPolarHBondContact CA-OD1 3.18Å; H26-D339 WeakPolarHBondContact CA-OD2 3.37Å; H26-D339 PolarHBondContact N-OD1 2.82Å; Q27-D339 PolarHBondContact N-OD1 3.31Å; Q27-D339 PolarHBondContact N-OD2 2.93Å; S28-D339 PolarHBondContact N-OD1 2.79Å; S28-D339 PolarHBondContact N-OD2 3.06Å; S28-D339 WeakPolarHBondContact O-CA 3.39Å; S28-D339 VanDerWaalsContact O-CB 3.25Å; S28-D339 WeakPolarHBondContact O-CB 3.42Å; S28-D339 VanDerWaalsContact O-OD1 3.11Å; G337-D339 PolarHBondContact O-N 3.26Å
340F92.1Very high88Confident13 Ų1337.1 Ų37.16%0.05720%0.202CC..EExtended strand (participates in β ladder)trans-130.1151.5-168.1-58.7-79.9000112.1R22 I23 H24 W295 F319 A336 G337 W342R22-F340 HydrophobicContact CG-CB 4.26Å; R22-F340 HydrophobicContact CG-CD1 3.99Å; R22-F340 HydrophobicContact CG-CG 4.45Å; I23-F340 VanDerWaalsContact O-CA 3.31Å; I23-F340 WeakPolarHBondContact O-CA 3.37Å; H24-F340 HydrophobicContact CB-CD1 4.14Å; H24-F340 HydrophobicContact CB-CE1 3.97Å; H24-F340 AromaticContact CD2-CE1 3.43Å; H24-F340 VanDerWaalsContact CD2-CE1 3.43Å; H24-F340 WeakPolarHBondContact CD2-CE1 3.35Å; H24-F340 AromaticContact CD2-CZ 3.88Å; H24-F340 AromaticContact CG-CE1 3.71Å; W295-F340 HydrophobicContact CH2-CD2 4.15Å; W295-F340 AromaticContact CH2-CE2 3.69Å; W295-F340 HydrophobicContact CH2-CE2 3.69Å; W295-F340 HydrophobicContact CH2-CZ 4.04Å; W295-F340 HydrophobicContact CZ2-CE2 4.45Å; W295-F340 HydrophobicContact CZ2-CZ 4.4Å; W295-F340 HydrophobicContact CZ3-CD2 4.42Å; W295-F340 HydrophobicContact CZ3-CE2 4.39Å; F319-F340 HydrophobicContact CE2-CD2 4.3Å; F319-F340 HydrophobicContact CZ-CD2 4.11Å; A336-F340 WeakPolarHBondContact CA-O 3.47Å; A336-F340 WeakPolarHBondContact CB-O 3.26Å; G337-F340 PolarHBondContact N-O 3.27Å; G337-F340 VanDerWaalsContact N-O 3.11Å; G337-F340 PolarHBondContact O-N 2.99Å; G337-F340 VanDerWaalsContact O-N 3.09Å; G337-F340 VanDerWaalsContact O-O 3.12Å; F340-W342 HydrophobicContact CB-CE3 4.12Å; F340-W342 HydrophobicContact CB-CH2 3.21Å; F340-W342 HydrophobicContact CB-CZ2 3.86Å; F340-W342 HydrophobicContact CB-CZ3 3.37Å; F340-W342 HydrophobicContact CD2-CH2 4.19Å; F340-W342 AromaticContact CG-CH2 3.94Å; F340-W342 HydrophobicContact CG-CH2 3.94Å; F340-W342 HydrophobicContact CG-CZ2 4.35Å
341A93.7Very high85.8Confident0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-127.9146.216600000109.8R22 I23 A33 T44 L334 T335 A336R22-A341 CarbonylContact C-O 3.59Å; R22-A341 WeakPolarHBondContact CA-O 3.18Å; I23-A341 PolarHBondContact N-O 3.33Å; I23-A341 PolarHBondContact O-N 2.52Å; A33-A341 HydrophobicContact CB-CB 4.47Å; T44-A341 HydrophobicContact CG2-CB 4.29Å; L334-A341 HydrophobicContact CD1-CB 4.33Å; T335-A341 CarbonylContact O-C 3.48Å; T335-A341 WeakPolarHBondContact O-CA 3.41Å; A336-A341 HydrophobicContact CB-CB 4.17Å
342W94.3Very high83.3Confident0 Ų047.2 Ų47.20%026%0.256CS..EExtended strand (participates in β ladder)trans-122.5137.9177.9-68.9-104.4000111.1C21 R22 H288 A294 W295 F319 I321 L334 T335 F340C21-W342 CarbonylContact O-C 3.53Å; C21-W342 VanDerWaalsContact O-CA 3.26Å; C21-W342 WeakPolarHBondContact O-CA 3.35Å; R22-W342 HydrophobicContact CB-CG 4.34Å; R22-W342 HydrophobicContact CG-CD2 4.1Å; R22-W342 HydrophobicContact CG-CG 4.33Å; R22-W342 HydrophobicContact CG-CZ2 3.91Å; H288-W342 HydrophobicContact CB-CZ2 4.4Å; H288-W342 AromaticContact CD2-CD2 3.62Å; H288-W342 AromaticContact CD2-CE3 3.68Å; H288-W342 AromaticContact CD2-CG 3.92Å; A294-W342 PolarHBondContact O-NE1 2.96Å; W295-W342 AromaticContact CE3-CZ2 3.98Å; W295-W342 HydrophobicContact CE3-CZ2 3.98Å; W295-W342 HydrophobicContact CZ3-CH2 4.31Å; W295-W342 AromaticContact CZ3-CZ2 3.92Å; W295-W342 HydrophobicContact CZ3-CZ2 3.92Å; F319-W342 AromaticContact CE1-CH2 3.53Å; F319-W342 HydrophobicContact CE1-CH2 3.53Å; F319-W342 HydrophobicContact CE1-CZ2 4.35Å; F319-W342 HydrophobicContact CE1-CZ3 4.15Å; F319-W342 AromaticContact CZ-CH2 3.52Å; F319-W342 HydrophobicContact CZ-CH2 3.52Å; F319-W342 HydrophobicContact CZ-CZ2 4.47Å; F319-W342 HydrophobicContact CZ-CZ3 4.21Å; I321-W342 HydrophobicContact CD1-CE3 4.31Å; I321-W342 HydrophobicContact CD1-CH2 4.33Å; I321-W342 HydrophobicContact CD1-CZ3 3.77Å; L334-W342 CarbonylContact C-O 3.52Å; L334-W342 WeakPolarHBondContact CA-O 3.28Å; T335-W342 PolarHBondContact N-O 3.32Å; T335-W342 PolarHBondContact O-N 3.09Å; F340-W342 HydrophobicContact CB-CE3 4.12Å; F340-W342 HydrophobicContact CB-CH2 3.21Å; F340-W342 HydrophobicContact CB-CZ2 3.86Å; F340-W342 HydrophobicContact CB-CZ3 3.37Å; F340-W342 HydrophobicContact CD2-CH2 4.19Å; F340-W342 AromaticContact CG-CH2 3.94Å; F340-W342 HydrophobicContact CG-CH2 3.94Å; F340-W342 HydrophobicContact CG-CZ2 4.35Å
343L95.3Very high80.6Confident2 Ų249.9 Ų49.91%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-98.6131.6164.7-173.864.9000108.7Y20 C21 F35 P56 Y57 K332 L333Y20-L343 WeakPolarHBondContact CA-O 3.15Å; Y20-L343 WeakPolarHBondContact CB-O 3.41Å; Y20-L343 HydrophobicContact CD1-CB 4.37Å; Y20-L343 HydrophobicContact CD1-CD2 3.53Å; Y20-L343 HydrophobicContact CD1-CG 4.22Å; Y20-L343 HydrophobicContact CE1-CD2 4.06Å; Y20-L343 HydrophobicContact CG-CD2 4.11Å; Y20-L343 HydrophobicContact CG-CG 4.48Å; Y20-L343 PolarHBondContact N-O 2.8Å; C21-L343 PolarHBondContact N-O 3.17Å; C21-L343 PolarHBondContact O-N 3.23Å; F35-L343 HydrophobicContact CE1-CD1 4.16Å; F35-L343 HydrophobicContact CZ-CD1 3.55Å; P56-L343 HydrophobicContact CB-CD2 4.17Å; Y57-L343 HydrophobicContact CD1-CD2 3.98Å; Y57-L343 HydrophobicContact CE1-CD2 3.88Å; K332-L343 HydrophobicContact CB-CD1 4.44Å; L333-L343 CarbonylContact O-C 3.59Å
344W94.9Very high77.4Confident6 Ų655.3 Ų55.32%0.02333%0.326CS..EExtended strand (participates in β ladder)trans-115.6143.6174.4-57.377.7000109.3P16 T17 Q18 P19 L286 H288 A294 K332 L333 T335P16-W344 HydrophobicContact CB-CB 4.24Å; P16-W344 WeakPolarHBondContact O-CB 3.31Å; T17-W344 WeakPolarHBondContact O-CZ3 3.48Å; Q18-W344 CarbonylContact O-C 3.56Å; Q18-W344 VanDerWaalsContact O-CA 3.26Å; Q18-W344 WeakPolarHBondContact O-CA 3.48Å; P19-W344 HydrophobicContact CB-CE3 4.17Å; P19-W344 HydrophobicContact CB-CH2 4.28Å; P19-W344 HydrophobicContact CB-CZ3 4.01Å; P19-W344 HydrophobicContact CG-CZ3 4.3Å; L286-W344 HydrophobicContact CB-CE3 4.36Å; L286-W344 HydrophobicContact CB-CH2 3.66Å; L286-W344 HydrophobicContact CB-CZ2 3.93Å; L286-W344 HydrophobicContact CB-CZ3 3.89Å; L286-W344 HydrophobicContact CD1-CD2 3.93Å; L286-W344 HydrophobicContact CD1-CE3 4.08Å; L286-W344 HydrophobicContact CD1-CG 4.32Å; L286-W344 HydrophobicContact CD1-CZ3 4.44Å; L286-W344 HydrophobicContact CD2-CE3 4.03Å; L286-W344 HydrophobicContact CD2-CZ3 3.94Å; L286-W344 HydrophobicContact CG-CE3 4.39Å; L286-W344 HydrophobicContact CG-CZ3 4.31Å; H288-W344 AromaticContact CD2-CZ2 3.71Å; H288-W344 AromaticContact CE1-CE2 3.82Å; H288-W344 AromaticContact CE1-CZ2 3.31Å; H288-W344 WeakPolarHBondContact CE1-CZ2 3.45Å; H288-W344 AromaticContact CE1-NE1 3.94Å; H288-W344 AromaticContact ND1-CZ2 3.83Å; H288-W344 AromaticContact NE2-CE2 3.49Å; H288-W344 AromaticContact NE2-CZ2 3.24Å; H288-W344 WeakPolarHBondContact NE2-CZ2 3.33Å; H288-W344 AromaticContact NE2-NE1 3.26Å; H288-W344 PolarHBondContact NE2-NE1 2.81Å; A294-W344 HydrophobicContact CB-CH2 3.48Å; A294-W344 VanDerWaalsContact CB-CH2 3.48Å; A294-W344 HydrophobicContact CB-CZ2 3.69Å; A294-W344 HydrophobicContact CB-CZ3 4.37Å; K332-W344 WeakPolarHBondContact CA-O 3.26Å; K332-W344 WeakPolarHBondContact CB-O 3.31Å; L333-W344 HydrophobicContact CB-CB 4.15Å; L333-W344 PolarHBondContact N-O 2.94Å; L333-W344 PolarHBondContact O-N 2.83Å; T335-W344 PolarHBondContact OG1-NE1 3.42Å; T335-W344 VanDerWaalsContact OG1-NE1 3.14Å
345D92.6Very high74.3Confident45 Ų4567.9 Ų67.924%0.24139%0.385CS..EExtended strand (participates in β ladder)trans-127.5161.1179.2-155.44.4000110.7P16 T17 Q18 Y20 K332P16-D345 CarbonylContact C-O 3.55Å; P16-D345 VanDerWaalsContact CA-C 3.47Å; P16-D345 VanDerWaalsContact CA-O 3.26Å; P16-D345 WeakPolarHBondContact CA-O 3.41Å; T17-D345 PolarHBondContact N-O 3.32Å; Q18-D345 PolarHBondContact N-O 3.39Å; Q18-D345 PolarHBondContact O-N 3.07Å; Y20-D345 HydrophobicContact CD2-CB 4.4Å; K332-D345 WeakPolarHBondContact CG-OD1 3.23Å; K332-D345 IonicContact NZ-OD1 2.63Å; K332-D345 PolarHBondContact NZ-OD1 3.34Å; K332-D345 VanDerWaalsContact NZ-OD1 3.13Å; K332-D345 IonicContact NZ-OD2 3.91Å; K332-D345 PolarHBondContact NZ-OD2 3.01Å
346A89.7Confident73.1Confident22 Ų2271.3 Ų71.318%0.18240%0.404CS..PPolyproline II helixtrans-65.4150.6170.600000110.7G14 L15 S331G14-A346 WeakPolarHBondContact O-CB 3.29Å; L15-A346 WeakPolarHBondContact O-CA 3.32Å; S331-A346 PolarHBondContact O-N 3.45Å
347E79.6Confident72Confident114 Ų11475 Ų7553%0.53343%0.426SS..PPolyproline II helixtrans-53.7137.2165.9-75.3178-175.100109.7Q18 K349Q18-E347 HydrophobicContact CG-CB 4.31Å; Q18-E347 HydrophobicContact CG-CG 3.38Å; Q18-E347 PolarHBondContact NE2-OE1 2.8Å; E347-K349 PolarHBondContact O-N 2.76Å; E347-K349 VanDerWaalsContact O-N 3.12Å
348P70.8Confident70.9Confident115 Ų11579.2 Ų79.275%0.74745%0.449SS*.PPolyproline II helixtrans-52.7125.5168.9-17.928.9000107.4D350P348-D350 PolarHBondContact O-N 3.48Å; P348-D350 VanDerWaalsContact O-N 3.07Å
349K61.9Low69.8Low124 Ų12481.9 Ų81.954%0.53946%0.456SS..PPolyproline II helixtrans-61.1119.1166-69.6-172.3176.3-174.30105.2T12 E347 V351T12-K349 PolarHBondContact O-NZ 3.33Å; T12-K349 VanDerWaalsContact O-NZ 3.08Å; E347-K349 PolarHBondContact O-N 2.76Å; E347-K349 VanDerWaalsContact O-N 3.12Å; K349-V351 PolarHBondContact O-N 2.82Å
350D45.7Very low68.4Low154 Ų15484.8 Ų84.882%0.82447%0.473SS*.PPolyproline II helixtrans-46.7116.1164-76.5-34.1000105.5P348 E352P348-D350 PolarHBondContact O-N 3.48Å; P348-D350 VanDerWaalsContact O-N 3.07Å; D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.45Å
351V44Very low66.9Low127 Ų12789.6 Ų89.677%0.7750%0.5SS*.  trans-60.9104.4171.7179.80000103.2K349 G353K349-V351 PolarHBondContact O-N 2.82Å; V351-G353 PolarHBondContact O-N 2.78Å; V351-G353 VanDerWaalsContact O-N 3.15Å
352E40.8Very low64.9Low184 Ų18496 Ų9686%0.8654%0.536SS*.  trans-42127.2173.5-79.9-179.415600107.6D350 S354D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.45Å; E352-S354 PolarHBondContact O-N 2.98Å
353G37Very low62.7Low72 Ų72103.4 Ų103.474%0.74258%0.577SS**  trans-34.3125.4-160.800000114.6V351 E355V351-G353 PolarHBondContact O-N 2.78Å; V351-G353 VanDerWaalsContact O-N 3.15Å; G353-E355 PolarHBondContact O-N 2.68Å
354S31.3Very low60Low114 Ų114111.8 Ų111.880%0.79763%0.625SS**  trans-75.576.7155.746.20000108.7E352E352-S354 PolarHBondContact O-N 2.98Å
355E31.3Very low56.8Low265 Ų265121.5 Ų121.5100%1.23868%0.679SS**  trans-143.90151.3-72.7-161.5157.700110.5G353G353-E355 PolarHBondContact O-N 2.68Å

Retrieved 355 of 355 residues in 1200.8 ms (Link to these results)

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