A0A087WVM2_HUMAN Loading...

CD177 molecule

AlphaFold DB , UniProt , Accession A0A087WVM2, Species HUMAN (Homo sapiens, Human), Gene CD177, Length 437 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
1M48.3Very low47.8Very low233 Ų233116.8 Ų116.8100%1.14870%0.703SS**  0116.10-69.9171.164.900107.1
2S45.5Very low47.5Very low83 Ų83121.3 Ų121.358%0.5871%0.707SS**  trans-70.1135.5-171.3-178.70000110.9V4 L5S2-V4 PolarHBondContact O-N 2.96Å; S2-L5 PolarHBondContact O-N 3.47Å
3A51Low47.3Very low81 Ų81123.5 Ų123.567%0.66971%0.712SS**THydrogen-bonded Turntrans-55.6-18.917700000113.3L5 L6A3-L5 VanDerWaalsContact C-N 3.31Å; A3-L5 PolarHBondContact O-N 3.37Å; A3-L6 PolarHBondContact O-N 3Å
4V52.2Low46.8Very low112 Ų112124.6 Ų124.668%0.67971%0.713SS**Hα-helixtrans-67.3-29.9175.6-175.50000112.2S2S2-V4 PolarHBondContact O-N 2.96Å
5L45.1Very low46.9Very low120 Ų120123.1 Ų123.163%0.62871%0.709SS**Hα-helixtrans-78.9-20.7179.7-148.481.1000112.5S2 A3S2-L5 PolarHBondContact O-N 3.47Å; A3-L5 VanDerWaalsContact C-N 3.31Å; A3-L5 PolarHBondContact O-N 3.37Å
6L46.3Very low46.8Very low120 Ų120125.3 Ų125.363%0.62872%0.717SS**Hα-helixtrans-77.4-30.5178.4-137.290.1000112.1A3 A8 L9 L10A3-L6 PolarHBondContact O-N 3Å; L6-A8 VanDerWaalsContact C-N 3.32Å; L6-L9 PolarHBondContact O-N 3.46Å; L6-L10 PolarHBondContact O-N 3.29Å
7L48.1Very low46.8Very low139 Ų139124.6 Ų124.673%0.72872%0.718SS**Hα-helixtrans-73.2-22.6175-85.5156.4000113
8A46.5Very low46.9Very low80 Ų80121.3 Ų121.366%0.66172%0.715SS**Hα-helixtrans-81.9-22.9174.900000113.3L6L6-A8 VanDerWaalsContact C-N 3.32Å
9L47.4Very low47.5Very low142 Ų142119.8 Ų119.874%0.74371%0.707SS**Hα-helixtrans-90.7-20.4178.7-87.6156.1000113.4L6 G11L6-L9 PolarHBondContact O-N 3.46Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 2.91Å
10L48.4Very low48.3Very low106 Ų106122.7 Ų122.756%0.55571%0.713SS**SBendtrans-83.884.4163.8-79.9155.4000107.6L6 F12L6-L10 PolarHBondContact O-N 3.29Å; L10-F12 PolarHBondContact O-N 2.94Å
11G47.2Very low49.9Very low69 Ų69119.3 Ų119.371%0.71170%0.7SS**  trans-59.570173.200000112.7L9 I13L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 2.91Å; G11-I13 PolarHBondContact O-N 2.67Å
12F44.3Very low52.1Low171 Ų171109.3 Ų109.375%0.7565%0.651SS**  trans-72.778.2156.7-95.8-89.1000106.6L10 L14L10-F12 PolarHBondContact O-N 2.94Å; F12-L14 PolarHBondContact O-N 3.21Å
13I45.1Very low54.5Low150 Ų150108.2 Ų108.277%0.76964%0.638SS**  trans-61.691144-56.2177.6000103.2G11 P15G11-I13 PolarHBondContact O-N 2.67Å; I13-P15 WeakPolarHBondContact O-CD 3.11Å
14L40.2Very low56.7Low139 Ų139104.3 Ų104.373%0.72861%0.606SS**  trans-55.1111.7155.7-82.7160.7000103.4F12 L16F12-L14 PolarHBondContact O-N 3.21Å; L14-L16 PolarHBondContact O-N 2.93Å
15P48.1Very low58.8Low101 Ų101100.2 Ų100.266%0.65658%0.58SS**  trans-57.5118.6165.626.7-28.4000103.1I13I13-P15 WeakPolarHBondContact O-CD 3.11Å
16L44.3Very low61.3Low159 Ų15999.2 Ų99.283%0.83257%0.57SS**  trans-40.6124.1151.8-81.6151.3000104.2L14 G18L14-L16 PolarHBondContact O-N 2.93Å; L16-G18 PolarHBondContact O-N 2.86Å
17P47.3Very low63.7Low114 Ų11494.3 Ų94.374%0.7455%0.549SS*.  trans-56.399.4-178.520.7-29.2000105.5V19P17-V19 VanDerWaalsContact C-N 3.26Å; P17-V19 PolarHBondContact O-N 3.37Å
18G49.1Very low66Low64 Ų6490.8 Ų90.866%0.6653%0.533SS*.  trans-66103.2178.600000101.9L16 Q20L16-G18 PolarHBondContact O-N 2.86Å; G18-Q20 VanDerWaalsContact C-N 3.29Å; G18-Q20 PolarHBondContact O-N 2.61Å
19V58.2Low68.3Low94 Ų9489.3 Ų89.357%0.5752%0.515SS*.  trans-55.7103.8-178.41750000105.2P17 A21 S51P17-V19 VanDerWaalsContact C-N 3.26Å; P17-V19 PolarHBondContact O-N 3.37Å; V19-A21 PolarHBondContact O-N 3.29Å; V19-S51 VanDerWaalsContact CB-OG 3.23Å; V19-S51 WeakPolarHBondContact CB-OG 3.49Å; V19-S51 VanDerWaalsContact CG1-OG 3.25Å; V19-S51 WeakPolarHBondContact CG1-OG 3.39Å; V19-S51 PolarHBondContact O-OG 2.9Å
20Q64.1Low70.5Confident176 Ų17684.5 Ų84.582%0.82249%0.489SS*.PPolyproline II helixtrans-65.4136.2-166.1-156166-1300107.7G18 L22G18-Q20 VanDerWaalsContact C-N 3.29Å; G18-Q20 PolarHBondContact O-N 2.61Å; Q20-L22 PolarHBondContact O-N 3.43Å; Q20-L22 VanDerWaalsContact O-N 3.14Å
21A81.1Confident72.7Confident53 Ų5383.3 Ų83.344%0.43848%0.481SS..PPolyproline II helixtrans-62.4118.217600000108.4V19V19-A21 PolarHBondContact O-N 3.29Å
22L93.4Very high75Confident22 Ų2281.4 Ų81.412%0.11546%0.455CS..PPolyproline II helixtrans-75.8134.6-178.4-172.968.8000109.3Q20 C49 C55Q20-L22 PolarHBondContact O-N 3.43Å; Q20-L22 VanDerWaalsContact O-N 3.14Å; L22-C49 WeakPolarHBondContact O-CB 3.01Å; L22-C49 PolarHBondContact O-N 2.72Å; L22-C55 VanDerWaalsContact CD2-SG 3.5Å
23L96.4Very high77.3Confident60 Ų6076.8 Ų76.831%0.31443%0.433SS..EExtended strand (participates in β ladder)trans-90.5130.9170.6-61175.9000109.6T47 D108 F109L23-T47 CarbonylContact C-O 3.56Å; L23-T47 WeakPolarHBondContact CA-O 3.5Å; L23-D108 HydrophobicContact CB-CB 4.06Å; L23-D108 PolarHBondContact N-OD1 2.89Å; L23-D108 CarbonylContact O-C 3.3Å; L23-D108 WeakPolarHBondContact O-CA 3.42Å; L23-F109 HydrophobicContact CB-CD1 4.3Å; L23-F109 HydrophobicContact CB-CE1 3.64Å; L23-F109 HydrophobicContact CB-CE2 4.05Å; L23-F109 HydrophobicContact CB-CZ 3.51Å; L23-F109 HydrophobicContact CD1-CE2 4.11Å; L23-F109 HydrophobicContact CD1-CZ 3.77Å; L23-F109 HydrophobicContact CG-CZ 4.24Å; L23-F109 PolarHBondContact O-N 2.72Å
24C97.4Very high79.6Confident0 Ų076.1 Ų76.10%042%0.424CS..EExtended strand (participates in β ladder)trans-126.4158.3179.8-61.40000111.5N46 T47 C49 C55C24-N46 CarbonylContact O-C 3.59Å; C24-N46 WeakPolarHBondContact O-CA 3.34Å; C24-T47 HydrophobicContact CB-CG2 4.2Å; C24-T47 PolarHBondContact N-O 2.84Å; C24-T47 PolarHBondContact O-N 3.35Å; C24-C49 PolarHBondContact SG-SG 3.39Å; C24-C55 VanDerWaalsContact CA-SG 3.51Å; C24-C55 HydrophobicContact CB-CB 3.71Å; C24-C55 WeakPolarHBondContact CB-SG 3.44Å; C24-C55 WeakPolarHBondContact SG-CA 3.23Å; C24-C55 WeakPolarHBondContact SG-CB 3.25Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 3.45Å
25Q97.6Very high82Confident26 Ų2671 Ų7112%0.12140%0.399CS..EExtended strand (participates in β ladder)trans-73.4140.7164.3-63-170.8-10.100109.8P44 K45 K74 G75 F109 N111Q25-P44 HydrophobicContact CB-CB 3.95Å; Q25-P44 HydrophobicContact CB-CG 4.08Å; Q25-P44 HydrophobicContact CG-CB 4.4Å; Q25-P44 HydrophobicContact CG-CG 4Å; Q25-K45 CarbonylContact C-O 3.57Å; Q25-K45 WeakPolarHBondContact CA-O 3.37Å; Q25-K74 HydrophobicContact CB-CD 4.47Å; Q25-G75 PolarHBondContact O-N 3.4Å; Q25-F109 HydrophobicContact CG-CB 4.42Å; Q25-F109 HydrophobicContact CG-CD1 4.28Å; Q25-N111 WeakPolarHBondContact CB-OD1 3.42Å; Q25-N111 VanDerWaalsContact CD-O 3.29Å; Q25-N111 PolarHBondContact N-OD1 2.03Å; Q25-N111 PolarHBondContact O-ND2 3.5Å; Q25-N111 PolarHBondContact OE1-O 2.78Å
26F96.7Very high84.1Confident99 Ų9970.9 Ų70.943%0.43440%0.4SS..EExtended strand (participates in β ladder)trans-133.9141.3-177.4176.6-98.7000110.8K45 T47 K74F26-K45 PolarHBondContact N-O 3.14Å; F26-K45 PolarHBondContact O-N 3.13Å; F26-T47 HydrophobicContact CB-CG2 3.78Å; F26-T47 HydrophobicContact CG-CG2 4.44Å; F26-K74 WeakPolarHBondContact CA-O 3.46Å; F26-K74 WeakPolarHBondContact CD2-O 3.1Å
27G96Very high86.4Confident17 Ų1765.9 Ų65.918%0.17537%0.374CS..EExtended strand (participates in β ladder)trans157.3161.2173.900000112.6K74G27-K74 PolarHBondContact N-O 2.87Å; G27-K74 PolarHBondContact O-N 2.94Å
28T96.7Very high88.6Confident65 Ų6561.1 Ų61.140%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-130.2138.4176.353.60000109.3L72 G168 I170T28-L72 CarbonylContact C-O 3.54Å; T28-L72 WeakPolarHBondContact CA-O 3.4Å; T28-G168 VanDerWaalsContact CG2-O 3.3Å; T28-G168 WeakPolarHBondContact CG2-O 3.4Å; T28-I170 HydrophobicContact CG2-CD1 3.95Å
29V95.2Very high90.8Very high48 Ų4861 Ų6129%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-129.9130.8170179.30000107.5L70 V71 L72V29-L70 HydrophobicContact CB-CD2 4.27Å; V29-L70 HydrophobicContact CG1-CD2 3.98Å; V29-V71 CarbonylContact O-C 3.6Å; V29-V71 WeakPolarHBondContact O-CA 3Å; V29-L72 HydrophobicContact CB-CB 3.88Å; V29-L72 HydrophobicContact CB-CD2 4.25Å; V29-L72 HydrophobicContact CG2-CB 4.43Å; V29-L72 HydrophobicContact CG2-CD2 3.88Å; V29-L72 PolarHBondContact N-O 3.47Å; V29-L72 PolarHBondContact O-N 2.02Å
30Q93.9Very high92.6Very high42 Ų4260.3 Ų60.320%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-140.8117.3169.7-172.5176.7-0.800109.4L70 V71 M139 S172Q30-L70 WeakPolarHBondContact CA-O 3.44Å; Q30-V71 HydrophobicContact CG-CG2 4.32Å; Q30-M139 HydrophobicContact CB-SD 4.46Å; Q30-M139 HydrophobicContact CG-SD 3.65Å; Q30-S172 PolarHBondContact NE2-OG 3.26Å; Q30-S172 PolarHBondContact OE1-OG 2.86Å
31H94.3Very high94.1Very high80 Ų8059.9 Ų59.937%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-160.2150.5-176.6-163.1-84.4000111.3W33 L70H31-W33 HydrophobicContact CB-CZ2 4.19Å; H31-W33 AromaticContact CE1-CE3 3.94Å; H31-W33 AromaticContact CE1-CH2 3.96Å; H31-W33 AromaticContact CE1-CZ3 3.9Å; H31-W33 AromaticContact CG-CE2 3.7Å; H31-W33 AromaticContact CG-CZ2 3.78Å; H31-W33 AromaticContact CG-NE1 3.83Å; H31-W33 AromaticContact ND1-CD1 3.94Å; H31-W33 AromaticContact ND1-CD2 3.39Å; H31-W33 AromaticContact ND1-CE2 3.23Å; H31-W33 AromaticContact ND1-CE3 3.77Å; H31-W33 AromaticContact ND1-CG 3.88Å; H31-W33 AromaticContact ND1-CH2 3.92Å; H31-W33 AromaticContact ND1-CZ2 3.54Å; H31-W33 AromaticContact ND1-NE1 3.59Å; H31-L70 PolarHBondContact N-O 2.83Å; H31-L70 VanDerWaalsContact N-O 3.13Å; H31-L70 PolarHBondContact O-N 2.02Å
32V94.6Very high94.7Very high29 Ų2958.9 Ų58.918%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-98.1120.6171.5-179.20000109Q67 V68 L137 L174V32-Q67 HydrophobicContact CG1-CB 4.16Å; V32-V68 CarbonylContact C-O 3.46Å; V32-V68 WeakPolarHBondContact CA-O 3.5Å; V32-L137 HydrophobicContact CG1-CB 3.79Å; V32-L137 HydrophobicContact CG2-CB 4.07Å; V32-L174 HydrophobicContact CG2-CD1 4.08Å
33W94.1Very high94.8Very high75 Ų7564.5 Ų64.528%0.28434%0.336SS..EExtended strand (participates in β ladder)trans-113.2169.6178.8-61.6103.3000110.8H31 D37 Q67 V68H31-W33 HydrophobicContact CB-CZ2 4.19Å; H31-W33 AromaticContact CE1-CE3 3.94Å; H31-W33 AromaticContact CE1-CH2 3.96Å; H31-W33 AromaticContact CE1-CZ3 3.9Å; H31-W33 AromaticContact CG-CE2 3.7Å; H31-W33 AromaticContact CG-CZ2 3.78Å; H31-W33 AromaticContact CG-NE1 3.83Å; H31-W33 AromaticContact ND1-CD1 3.94Å; H31-W33 AromaticContact ND1-CD2 3.39Å; H31-W33 AromaticContact ND1-CE2 3.23Å; H31-W33 AromaticContact ND1-CE3 3.77Å; H31-W33 AromaticContact ND1-CG 3.88Å; H31-W33 AromaticContact ND1-CH2 3.92Å; H31-W33 AromaticContact ND1-CZ2 3.54Å; H31-W33 AromaticContact ND1-NE1 3.59Å; W33-D37 HydrophobicContact CB-CB 4.44Å; W33-Q67 WeakPolarHBondContact O-CA 3.45Å; W33-V68 HydrophobicContact CB-CG1 4.04Å; W33-V68 PolarHBondContact N-O 2.03Å; W33-V68 PolarHBondContact O-N 2.83Å
34K93Very high94.7Very high135 Ų13562.9 Ų62.959%0.58733%0.329SS*.EExtended strand (participates in β ladder)trans-76.1145161.8-62.2-179.8-178.8178.90108.9S36 D37 P66K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.38Å; K34-D37 PolarHBondContact N-OD2 3.14Å; K34-D37 VanDerWaalsContact O-CB 3.28Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.42Å; K34-P66 CarbonylContact C-O 3.59Å; K34-P66 WeakPolarHBondContact CA-O 3.05Å
35V90.8Very high94.7Very high32 Ų3270.5 Ų70.519%0.19436%0.362CS..G310 helixtrans-55.7-36.1173.31710000110.7D37 L38 P66 V68 W120V35-D37 PolarHBondContact O-N 2.75Å; V35-D37 VanDerWaalsContact O-N 3.13Å; V35-L38 PolarHBondContact O-N 2.72Å; V35-P66 PolarHBondContact N-O 2.89Å; V35-V68 HydrophobicContact CG2-CB 4.1Å; V35-V68 HydrophobicContact CG2-CG1 4.33Å; V35-W120 HydrophobicContact CG1-CH2 3.57Å; V35-W120 HydrophobicContact CG1-CZ3 3.91Å; V35-W120 WeakPolarHBondContact O-CH2 3.21Å
36S91.3Very high94.6Very high98 Ų9874.4 Ų74.469%0.68538%0.384SS*.G310 helixtrans-63.3-15.2175.260.50000115K34K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.38Å
37D93.8Very high94.6Very high54 Ų5471.8 Ų71.829%0.28938%0.376SS..G310 helixtrans-90-6.1-179.2-60.8-22.2000112.7W33 K34 V35 R40W33-D37 HydrophobicContact CB-CB 4.44Å; K34-D37 PolarHBondContact N-OD2 3.14Å; K34-D37 VanDerWaalsContact O-CB 3.28Å; K34-D37 WeakPolarHBondContact O-CB 3.42Å; K34-D37 PolarHBondContact O-N 3.42Å; V35-D37 PolarHBondContact O-N 2.75Å; V35-D37 VanDerWaalsContact O-N 3.13Å; D37-R40 WeakPolarHBondContact O-CD 3.41Å; D37-R40 IonicContact OD2-NH2 3.59Å
38L92.9Very high94.6Very high14 Ų1474.3 Ų74.37%0.07339%0.391CS..PPolyproline II helixtrans-84.3149.1176.6-67.2-171.9000111.7V35 R40 L61 V68 L70 W120V35-L38 PolarHBondContact O-N 2.72Å; L38-R40 HydrophobicContact CD2-CB 4.33Å; L38-R40 HydrophobicContact CD2-CG 3.9Å; L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.36Å; L38-V68 HydrophobicContact CD1-CB 4.3Å; L38-V68 HydrophobicContact CD1-CG1 3.69Å; L38-V68 HydrophobicContact CD1-CG2 3.97Å; L38-V68 HydrophobicContact CD2-CG1 4.36Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L38-L70 HydrophobicContact CD2-CD1 4.37Å; L38-W120 HydrophobicContact CB-CD2 3.75Å; L38-W120 HydrophobicContact CB-CE3 3.61Å; L38-W120 HydrophobicContact CB-CG 4.44Å; L38-W120 HydrophobicContact CB-CH2 4.04Å; L38-W120 HydrophobicContact CB-CZ2 4.15Å; L38-W120 HydrophobicContact CB-CZ3 3.78Å; L38-W120 HydrophobicContact CD1-CD2 4.4Å; L38-W120 HydrophobicContact CD1-CE3 3.5Å; L38-W120 HydrophobicContact CD1-CZ3 3.64Å; L38-W120 HydrophobicContact CG-CE3 4.2Å; L38-W120 HydrophobicContact CG-CZ3 4.26Å
39P95.3Very high94.5Very high61 Ų6171.3 Ų71.340%0.39637%0.372SS..SBendcis-78.6148.90.633.1-35.8000113.2S116 L117 W120P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.36Å; P39-S116 WeakPolarHBondContact CB-OG 3.32Å; P39-L117 HydrophobicContact CB-CD1 4.39Å; P39-L117 HydrophobicContact CG-CD1 4.13Å; P39-W120 HydrophobicContact CB-CB 4.41Å; P39-W120 HydrophobicContact CB-CG 4.39Å
40R95.1Very high94.4Very high80 Ų8075.1 Ų75.130%0.30239%0.391SS..PPolyproline II helixtrans-99.4147174.4-74.2-62.7-158.7-157.43.6111.2D37 L38 W42 L70 N115 S116D37-R40 WeakPolarHBondContact O-CD 3.41Å; D37-R40 IonicContact OD2-NH2 3.59Å; L38-R40 HydrophobicContact CD2-CB 4.33Å; L38-R40 HydrophobicContact CD2-CG 3.9Å; R40-W42 WeakPolarHBondContact O-CZ3 3.43Å; R40-L70 HydrophobicContact CB-CD1 4.34Å; R40-N115 CarbonylContact O-C 3.54Å; R40-N115 WeakPolarHBondContact O-CA 3.35Å; R40-N115 VanDerWaalsContact O-CB 3.28Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; R40-S116 PolarHBondContact N-OG 2.91Å; R40-S116 PolarHBondContact O-N 2.62Å
41Q95.6Very high94.2Very high168 Ų16877 Ų7779%0.78541%0.409SS*.BIsolated β-bridgetrans-110.4154.4173.2-60.3-172.9-21.200110.3V114 N115Q41-V114 WeakPolarHBondContact CA-O 2.97Å; Q41-N115 HydrophobicContact CB-CB 4.46Å; Q41-N115 HydrophobicContact CG-CB 3.94Å
42W94.9Very high93.9Very high32 Ų3275.6 Ų75.612%0.12142%0.417CS..  trans-146.1156.7176.550.379.5000112R40 L59 L70 L72 L113 V114 N115 S116R40-W42 WeakPolarHBondContact O-CZ3 3.43Å; W42-L59 HydrophobicContact CH2-CD1 3.77Å; W42-L59 HydrophobicContact CH2-CD2 3.97Å; W42-L59 HydrophobicContact CH2-CG 4.48Å; W42-L59 HydrophobicContact CZ2-CD1 4.45Å; W42-L59 HydrophobicContact CZ3-CD1 4.44Å; W42-L70 HydrophobicContact CZ3-CD1 4.01Å; W42-L70 HydrophobicContact CZ3-CD2 4.44Å; W42-L72 HydrophobicContact CD2-CD2 3.77Å; W42-L72 VanDerWaalsContact CE2-CD2 3.48Å; W42-L72 HydrophobicContact CG-CD2 3.87Å; W42-L72 HydrophobicContact CH2-CD1 4.31Å; W42-L72 HydrophobicContact CZ2-CD1 3.62Å; W42-L72 HydrophobicContact CZ2-CD2 4Å; W42-L72 HydrophobicContact CZ2-CG 4.41Å; W42-L113 HydrophobicContact CZ2-CD2 4.13Å; W42-L113 HydrophobicContact CZ2-CG 4.02Å; W42-L113 PolarHBondContact NE1-O 3.22Å; W42-V114 VanDerWaalsContact CE2-C 3.49Å; W42-V114 PolarHBondContact N-O 2.95Å; W42-N115 VanDerWaalsContact CH2-O 3.28Å; W42-N115 WeakPolarHBondContact CH2-O 3.29Å; W42-S116 VanDerWaalsContact CH2-N 3.3Å
43T95.4Very high94Very high139 Ų13975.9 Ų75.985%0.85342%0.417SS*.  trans-110.6107.1176.5-52.30000109.3
44P94.9Very high94.1Very high27 Ų2772.3 Ų72.318%0.17540%0.403CS..  trans-75.1158.5179.528.6-28.5000111.5Q25 K74Q25-P44 HydrophobicContact CB-CB 3.95Å; Q25-P44 HydrophobicContact CB-CG 4.08Å; Q25-P44 HydrophobicContact CG-CB 4.4Å; Q25-P44 HydrophobicContact CG-CG 4Å; P44-K74 HydrophobicContact CB-CD 3.89Å
45K96.6Very high94.3Very high160 Ų16065.9 Ų65.970%0.69638%0.375SS*.EExtended strand (participates in β ladder)trans-85.6175.2165.9-62.8-177.3-178.5177.80109.1Q25 F26Q25-K45 CarbonylContact C-O 3.57Å; Q25-K45 WeakPolarHBondContact CA-O 3.37Å; F26-K45 PolarHBondContact N-O 3.14Å; F26-K45 PolarHBondContact O-N 3.13Å
46N96.5Very high94.6Very high107 Ų10765 Ų6557%0.57237%0.369SS*.EExtended strand (participates in β ladder)trans-112.3149.8175.8-65.2-4.2000109.9C24 F109C24-N46 CarbonylContact O-C 3.59Å; C24-N46 WeakPolarHBondContact O-CA 3.34Å; N46-F109 HydrophobicContact CB-CE1 3.79Å; N46-F109 HydrophobicContact CB-CZ 4.42Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.4Å
47T95.9Very high95Very high45 Ų4560.3 Ų60.328%0.27634%0.336SS..EExtended strand (participates in β ladder)trans-139.8154.9172.7-166.70000110.1L23 C24 F26L23-T47 CarbonylContact C-O 3.56Å; L23-T47 WeakPolarHBondContact CA-O 3.5Å; C24-T47 HydrophobicContact CB-CG2 4.2Å; C24-T47 PolarHBondContact N-O 2.84Å; C24-T47 PolarHBondContact O-N 3.35Å; F26-T47 HydrophobicContact CB-CG2 3.78Å; F26-T47 HydrophobicContact CG-CG2 4.44Å
48S96.4Very high95.2Very high69 Ų6957.8 Ų57.848%0.48332%0.323SS..EExtended strand (participates in β ladder)trans-94.4139164.9-176.90000108.7
49C94.9Very high95.4Very high2 Ų257.1 Ų57.11%0.01432%0.319CS..  trans-104.6145.5179.6-61.60000111.4L22 C24 L53 C76L22-C49 WeakPolarHBondContact O-CB 3.01Å; L22-C49 PolarHBondContact O-N 2.72Å; C24-C49 PolarHBondContact SG-SG 3.39Å; C49-L53 HydrophobicContact CB-CB 4.08Å; C49-C76 WeakPolarHBondContact CA-SG 3.05Å; C49-C76 HydrophobicContact CB-CB 3.77Å; C49-C76 WeakPolarHBondContact CB-SG 3.31Å; C49-C76 WeakPolarHBondContact SG-CB 3.37Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 3.35Å
50D93.2Very high95.5Very high128 Ų12854.2 Ų54.268%0.68430%0.3SS*.  trans-60.3156.3173.7-67.6-30.1000111.4G52 L53D50-G52 PolarHBondContact O-N 3.06Å; D50-L53 HydrophobicContact CB-CD1 3.9Å; D50-L53 HydrophobicContact CB-CG 4.26Å; D50-L53 WeakPolarHBondContact O-CB 3.32Å; D50-L53 PolarHBondContact O-N 2.96Å; D50-L53 VanDerWaalsContact O-N 3.11Å
51S89.3Confident95.6Very high81 Ų8150.4 Ų50.457%0.56629%0.286SS*.THydrogen-bonded Turntrans-56.5126.8-177.4-1600000111.7V19V19-S51 VanDerWaalsContact CB-OG 3.23Å; V19-S51 WeakPolarHBondContact CB-OG 3.49Å; V19-S51 VanDerWaalsContact CG1-OG 3.25Å; V19-S51 WeakPolarHBondContact CG1-OG 3.39Å; V19-S51 PolarHBondContact O-OG 2.9Å
52G87.9Confident95.5Very high52 Ų5242.4 Ų42.454%0.53625%0.249SC..THydrogen-bonded Turntrans91.8-12.4-179.900000115.5D50 R105D50-G52 PolarHBondContact O-N 3.06Å; G52-R105 PolarHBondContact O-NE 3.11Å
53L95.3Very high95.5Very high35 Ų3542.6 Ų42.618%0.18325%0.251CS..  trans-76.7150.6173.8-58.5-174.6000111.7C49 D50 C76 T77 E78C49-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 HydrophobicContact CB-CD1 3.9Å; D50-L53 HydrophobicContact CB-CG 4.26Å; D50-L53 WeakPolarHBondContact O-CB 3.32Å; D50-L53 PolarHBondContact O-N 2.96Å; D50-L53 VanDerWaalsContact O-N 3.11Å; L53-C76 HydrophobicContact CB-CB 4.3Å; L53-C76 HydrophobicContact CD1-CB 3.84Å; L53-T77 CarbonylContact C-O 3.58Å; L53-T77 WeakPolarHBondContact CA-O 3.47Å; L53-E78 HydrophobicContact CD2-CB 4.29Å; L53-E78 HydrophobicContact CD2-CG 3.34Å
54G96.4Very high95.3Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-106173171.200000112.6C76 T77 C104G54-C76 CarbonylContact O-C 3.58Å; G54-C76 VanDerWaalsContact O-CA 3.26Å; G54-C76 WeakPolarHBondContact O-CA 3.5Å; G54-T77 PolarHBondContact N-O 3.26Å; G54-T77 PolarHBondContact O-N 2.89Å; G54-C104 CarbonylContact C-O 3.59Å; G54-C104 WeakPolarHBondContact CA-O 3.03Å
55C97.8Very high95Very high0 Ų036.8 Ų36.80%022%0.223CC..EExtended strand (participates in β ladder)trans-89.7144.1170.4-50.90000110.6L22 C24 V103 C104 N111L22-C55 VanDerWaalsContact CD2-SG 3.5Å; C24-C55 VanDerWaalsContact CA-SG 3.51Å; C24-C55 HydrophobicContact CB-CB 3.71Å; C24-C55 WeakPolarHBondContact CB-SG 3.44Å; C24-C55 WeakPolarHBondContact SG-CA 3.23Å; C24-C55 WeakPolarHBondContact SG-CB 3.25Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 3.45Å; C55-V103 WeakPolarHBondContact O-CA 2.98Å; C55-C104 PolarHBondContact N-O 3.03Å; C55-C104 PolarHBondContact O-N 2.66Å; C55-N111 HydrophobicContact CB-CB 3.62Å; C55-N111 VanDerWaalsContact CB-CG 3.49Å; C55-N111 WeakPolarHBondContact CB-OD1 3.4Å
56Q98Very high94.6Very high12 Ų1232.4 Ų32.46%0.05621%0.211CC..EExtended strand (participates in β ladder)trans-131.2140178.9-178.2163.2-1.600112.2T58 K74 G75 T77 F102 V103 N111 P196Q56-T58 PolarHBondContact NE2-OG1 2.86Å; Q56-K74 WeakPolarHBondContact O-CA 3.15Å; Q56-G75 PolarHBondContact N-O 3.47Å; Q56-G75 PolarHBondContact O-N 3.34Å; Q56-T77 HydrophobicContact CB-CG2 3.71Å; Q56-T77 PolarHBondContact OE1-OG1 3.3Å; Q56-F102 WeakPolarHBondContact CA-O 3.26Å; Q56-V103 HydrophobicContact CB-CG2 4.31Å; Q56-V103 HydrophobicContact CG-CG2 3.97Å; Q56-N111 PolarHBondContact O-ND2 2.81Å; Q56-P196 VanDerWaalsContact NE2-CD 3.27Å
57D98.1Very high94.4Very high0 Ų030.3 Ų30.30%020%0.198CC..EExtended strand (participates in β ladder)trans-114.3135.8163.9-78.7-27.5000110.3K74 Y100 T101 F102 N111 N112 L113D57-K74 WeakPolarHBondContact OD1-CG 3.37Å; D57-K74 IonicContact OD1-NZ 2.78Å; D57-K74 PolarHBondContact OD1-NZ 3.3Å; D57-K74 IonicContact OD2-NZ 3.61Å; D57-Y100 HydrophobicContact CB-CE1 4Å; D57-T101 WeakPolarHBondContact O-CA 3.02Å; D57-F102 HydrophobicContact CB-CB 4.32Å; D57-F102 PolarHBondContact N-O 3.44Å; D57-F102 PolarHBondContact O-N 3.21Å; D57-N111 VanDerWaalsContact OD2-CA 3.31Å; D57-N111 WeakPolarHBondContact OD2-CA 3.34Å; D57-N112 PolarHBondContact OD2-N 2.99Å; D57-L113 HydrophobicContact CB-CB 4.14Å; D57-L113 HydrophobicContact CB-CD2 4.44Å; D57-L113 WeakPolarHBondContact OD2-CB 3.41Å; D57-L113 PolarHBondContact OD2-N 2.76Å
58T98.3Very high94.4Very high1 Ų128.2 Ų28.21%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-142122.7172.4-63.10000109.4Q56 M60 L72 S73 Y100 T101 I194 G195 P196Q56-T58 PolarHBondContact NE2-OG1 2.86Å; T58-M60 HydrophobicContact CG2-CE 3.78Å; T58-L72 CarbonylContact O-C 3.54Å; T58-L72 WeakPolarHBondContact O-CA 3.4Å; T58-S73 PolarHBondContact N-O 3.3Å; T58-S73 PolarHBondContact O-N 3.16Å; T58-Y100 WeakPolarHBondContact CA-O 3.41Å; T58-T101 HydrophobicContact CG2-CG2 4.32Å; T58-I194 HydrophobicContact CG2-CG2 4.04Å; T58-I194 WeakPolarHBondContact CG2-O 3.13Å; T58-G195 WeakPolarHBondContact OG1-CA 3.01Å; T58-P196 VanDerWaalsContact OG1-CD 3.23Å; T58-P196 WeakPolarHBondContact OG1-CD 3.28Å
59L98.2Very high94.3Very high0 Ų024.9 Ų24.90%016%0.162CC..EExtended strand (participates in β ladder)trans-129.7140.2177.5174.572.2000108.9W42 L70 V71 L72 S99 Y100 L113 L119W42-L59 HydrophobicContact CH2-CD1 3.77Å; W42-L59 HydrophobicContact CH2-CD2 3.97Å; W42-L59 HydrophobicContact CH2-CG 4.48Å; W42-L59 HydrophobicContact CZ2-CD1 4.45Å; W42-L59 HydrophobicContact CZ3-CD1 4.44Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.85Å; L59-L70 HydrophobicContact CD1-CG 3.82Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.29Å; L59-V71 WeakPolarHBondContact CA-O 3.37Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.34Å; L59-L72 HydrophobicContact CD1-CD1 4.16Å; L59-S99 CarbonylContact O-C 3.51Å; L59-S99 WeakPolarHBondContact O-CA 3.49Å; L59-S99 WeakPolarHBondContact O-CB 3.35Å; L59-Y100 PolarHBondContact N-O 3.01Å; L59-Y100 PolarHBondContact O-N 3.15Å; L59-L113 HydrophobicContact CB-CD2 3.78Å; L59-L113 HydrophobicContact CD2-CD2 4.09Å; L59-L119 HydrophobicContact CB-CD1 4.2Å; L59-L119 HydrophobicContact CD2-CB 4.44Å; L59-L119 HydrophobicContact CD2-CD1 3.66Å; L59-L119 HydrophobicContact CD2-CG 3.91Å; L59-L119 HydrophobicContact CG-CD1 3.66Å; L59-L119 HydrophobicContact CG-CG 4.45Å
60M96.9Very high94.4Very high0 Ų024.9 Ų24.90%016%0.162CC..EExtended strand (participates in β ladder)trans-133.9141.6174.4-46.5172.8-158.700109.6T58 L70 V71 L97 I98 I194 V197 M199T58-M60 HydrophobicContact CG2-CE 3.78Å; M60-L70 WeakPolarHBondContact O-CA 3.49Å; M60-V71 HydrophobicContact CB-CB 4.21Å; M60-V71 PolarHBondContact N-O 3.46Å; M60-V71 PolarHBondContact O-N 3.03Å; M60-V71 HydrophobicContact SD-CB 4.47Å; M60-L97 HydrophobicContact CB-CD1 4.37Å; M60-I98 WeakPolarHBondContact CA-O 3.04Å; M60-I194 HydrophobicContact CE-CB 3.48Å; M60-I194 VanDerWaalsContact CE-CB 3.48Å; M60-I194 HydrophobicContact CE-CD1 4.35Å; M60-I194 HydrophobicContact CE-CG1 4.43Å; M60-I194 HydrophobicContact CE-CG2 3.67Å; M60-I194 WeakPolarHBondContact CE-O 3.02Å; M60-I194 HydrophobicContact CG-CD1 4.28Å; M60-I194 HydrophobicContact CG-CG2 4.11Å; M60-I194 HydrophobicContact SD-CB 4.14Å; M60-I194 HydrophobicContact SD-CD1 3.84Å; M60-I194 HydrophobicContact SD-CG2 4.27Å; M60-V197 HydrophobicContact CE-CB 3.6Å; M60-V197 HydrophobicContact CE-CG1 3.97Å; M60-V197 HydrophobicContact CE-CG2 4Å; M60-M199 HydrophobicContact CE-SD 4.33Å; M60-M199 HydrophobicContact SD-CE 4.24Å; M60-M199 HydrophobicContact SD-SD 3.66Å; M60-M199 VanDerWaalsContact SD-SD 3.66Å
61L96.3Very high94.6Very high0 Ų018.9 Ų18.90%013%0.13CC..EExtended strand (participates in β ladder)trans-119.7124.9166.9-59.8-179000108.7L38 V68 S69 L70 L97 I98 L119L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.36Å; L61-V68 HydrophobicContact CB-CG2 3.99Å; L61-V68 HydrophobicContact CD2-CG2 3.95Å; L61-V68 HydrophobicContact CG-CG2 4.41Å; L61-S69 WeakPolarHBondContact CA-O 3.41Å; L61-L70 HydrophobicContact CD2-CB 3.91Å; L61-L70 HydrophobicContact CD2-CD1 3.91Å; L61-L70 HydrophobicContact CD2-CG 3.8Å; L61-L97 WeakPolarHBondContact O-CA 3.31Å; L61-I98 HydrophobicContact CB-CG2 3.94Å; L61-I98 PolarHBondContact N-O 3.01Å; L61-I98 PolarHBondContact O-N 2.9Å; L61-L119 HydrophobicContact CD1-CB 3.64Å; L61-L119 HydrophobicContact CG-CB 4.1Å; L61-L119 HydrophobicContact CG-CD1 4.16Å
62I95.4Very high95Very high0 Ų015.1 Ų15.10%010%0.103CC..EExtended strand (participates in β ladder)trans-112.2115.8169.7-60.1155.9000106.8V68 S69 S96 L97 L137 L163 L174 M199I62-V68 CarbonylContact O-C 3.51Å; I62-V68 WeakPolarHBondContact O-CA 3.01Å; I62-S69 PolarHBondContact N-O 3.21Å; I62-S69 PolarHBondContact O-N 2.86Å; I62-S96 WeakPolarHBondContact CA-O 3.38Å; I62-L97 HydrophobicContact CD1-CD1 4.36Å; I62-L97 HydrophobicContact CG1-CD1 3.52Å; I62-L97 HydrophobicContact CG1-CG 4.49Å; I62-L137 HydrophobicContact CG2-CD2 4.13Å; I62-L137 WeakPolarHBondContact O-CD1 2.95Å; I62-L163 HydrophobicContact CD1-CD1 3.76Å; I62-L174 HydrophobicContact CD1-CD2 3.64Å; I62-M199 HydrophobicContact CD1-CE 4.38Å
63E93.2Very high95.5Very high37 Ų3713 Ų1317%0.1738%0.08CC..EExtended strand (participates in β ladder)trans-105139.1-179-55.4-177.9164.900110.8Q67 V68 L95 S96E63-Q67 WeakPolarHBondContact CA-O 3.32Å; E63-V68 HydrophobicContact CG-CB 4.08Å; E63-V68 HydrophobicContact CG-CG2 3.74Å; E63-L95 WeakPolarHBondContact O-CA 3.32Å; E63-L95 WeakPolarHBondContact O-CD2 3.48Å; E63-S96 WeakPolarHBondContact CB-OG 3.08Å; E63-S96 PolarHBondContact N-O 2.67Å; E63-S96 PolarHBondContact O-N 3.14Å
64S92Very high95.6Very high0 Ų011.4 Ų11.40%07%0.072CC..EExtended strand (participates in β ladder)trans-143107.9169.3-170.80000109.7Q67 L95 Q177S64-Q67 PolarHBondContact N-O 2.9Å; S64-Q67 PolarHBondContact O-N 2.8Å; S64-L95 VanDerWaalsContact CB-CD2 3.43Å; S64-L95 WeakPolarHBondContact OG-CD2 3.44Å; S64-Q177 PolarHBondContact OG-O 2.95Å
65G88.2Confident95.7Very high43 Ų4312 Ų1244%0.4438%0.077SC..THydrogen-bonded Turntrans56-124.7-177.200000111.6Q67G65-Q67 VanDerWaalsContact C-N 3.25Å; G65-Q67 PolarHBondContact O-N 2.84Å
66P88.6Confident95.6Very high68 Ų6814.3 Ų14.344%0.4429%0.093SC..THydrogen-bonded Turntrans-81.40.7-179.634.4-35.5000113.9K34 V35K34-P66 CarbonylContact C-O 3.59Å; K34-P66 WeakPolarHBondContact CA-O 3.05Å; V35-P66 PolarHBondContact N-O 2.89Å
67Q93.1Very high95.6Very high64 Ų6414.7 Ų14.730%0.29910%0.096SC..EExtended strand (participates in β ladder)trans-109.2147.5-175.5-62.7-179.8-36.800111.7V32 W33 E63 S64 G65 L137V32-Q67 HydrophobicContact CG1-CB 4.16Å; W33-Q67 WeakPolarHBondContact O-CA 3.45Å; E63-Q67 WeakPolarHBondContact CA-O 3.32Å; S64-Q67 PolarHBondContact N-O 2.9Å; S64-Q67 PolarHBondContact O-N 2.8Å; G65-Q67 VanDerWaalsContact C-N 3.25Å; G65-Q67 PolarHBondContact O-N 2.84Å; Q67-L137 HydrophobicContact CB-CB 4.26Å; Q67-L137 HydrophobicContact CB-CD1 3.93Å; Q67-L137 HydrophobicContact CB-CG 4.24Å
68V94.6Very high95.4Very high0 Ų022.8 Ų22.80%013%0.134CC..EExtended strand (participates in β ladder)trans-136.5125.7173.3590000110.7V32 W33 V35 L38 L61 I62 E63V32-V68 CarbonylContact C-O 3.46Å; V32-V68 WeakPolarHBondContact CA-O 3.5Å; W33-V68 HydrophobicContact CB-CG1 4.04Å; W33-V68 PolarHBondContact N-O 2.03Å; W33-V68 PolarHBondContact O-N 2.83Å; V35-V68 HydrophobicContact CG2-CB 4.1Å; V35-V68 HydrophobicContact CG2-CG1 4.33Å; L38-V68 HydrophobicContact CD1-CB 4.3Å; L38-V68 HydrophobicContact CD1-CG1 3.69Å; L38-V68 HydrophobicContact CD1-CG2 3.97Å; L38-V68 HydrophobicContact CD2-CG1 4.36Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L61-V68 HydrophobicContact CB-CG2 3.99Å; L61-V68 HydrophobicContact CD2-CG2 3.95Å; L61-V68 HydrophobicContact CG-CG2 4.41Å; I62-V68 CarbonylContact O-C 3.51Å; I62-V68 WeakPolarHBondContact O-CA 3.01Å; E63-V68 HydrophobicContact CG-CB 4.08Å; E63-V68 HydrophobicContact CG-CG2 3.74Å
69S95.9Very high95.3Very high0 Ų024.8 Ų24.80%015%0.151CC..EExtended strand (participates in β ladder)trans-87.3120.8168.5-169.10000108.7L61 I62 L174L61-S69 WeakPolarHBondContact CA-O 3.41Å; I62-S69 PolarHBondContact N-O 3.21Å; I62-S69 PolarHBondContact O-N 2.86Å; S69-L174 WeakPolarHBondContact OG-CD2 3.28Å
70L96.9Very high95.2Very high2 Ų233.4 Ų33.41%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-103.2123.7174.9-174.1154.6000108.9V29 Q30 H31 L38 R40 W42 L59 M60 L61 L72V29-L70 HydrophobicContact CB-CD2 4.27Å; V29-L70 HydrophobicContact CG1-CD2 3.98Å; Q30-L70 WeakPolarHBondContact CA-O 3.44Å; H31-L70 PolarHBondContact N-O 2.83Å; H31-L70 VanDerWaalsContact N-O 3.13Å; H31-L70 PolarHBondContact O-N 2.02Å; L38-L70 HydrophobicContact CD2-CD1 4.37Å; R40-L70 HydrophobicContact CB-CD1 4.34Å; W42-L70 HydrophobicContact CZ3-CD1 4.01Å; W42-L70 HydrophobicContact CZ3-CD2 4.44Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.85Å; L59-L70 HydrophobicContact CD1-CG 3.82Å; M60-L70 WeakPolarHBondContact O-CA 3.49Å; L61-L70 HydrophobicContact CD2-CB 3.91Å; L61-L70 HydrophobicContact CD2-CD1 3.91Å; L61-L70 HydrophobicContact CD2-CG 3.8Å; L70-L72 HydrophobicContact CD2-CB 4.19Å
71V97.4Very high95.2Very high1 Ų137.7 Ų37.71%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-120.7120.1175.9-173.50000108.7V29 Q30 L59 M60 L165 I170V29-V71 CarbonylContact O-C 3.6Å; V29-V71 WeakPolarHBondContact O-CA 3Å; Q30-V71 HydrophobicContact CG-CG2 4.32Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.29Å; L59-V71 WeakPolarHBondContact CA-O 3.37Å; M60-V71 HydrophobicContact CB-CB 4.21Å; M60-V71 PolarHBondContact N-O 3.46Å; M60-V71 PolarHBondContact O-N 3.03Å; M60-V71 HydrophobicContact SD-CB 4.47Å; V71-L165 HydrophobicContact CB-CD2 4.5Å; V71-L165 HydrophobicContact CG1-CD2 4.13Å; V71-L165 HydrophobicContact CG2-CD2 3.8Å; V71-I170 HydrophobicContact CG1-CD1 4.21Å; V71-I170 HydrophobicContact CG1-CG1 4.12Å; V71-I170 HydrophobicContact CG1-CG2 4.45Å
72L97.8Very high95.2Very high3 Ų340.9 Ų40.92%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-122.8133178179.975.5000109.3T28 V29 W42 T58 L59 L70 K74 L113T28-L72 CarbonylContact C-O 3.54Å; T28-L72 WeakPolarHBondContact CA-O 3.4Å; V29-L72 HydrophobicContact CB-CB 3.88Å; V29-L72 HydrophobicContact CB-CD2 4.25Å; V29-L72 HydrophobicContact CG2-CB 4.43Å; V29-L72 HydrophobicContact CG2-CD2 3.88Å; V29-L72 PolarHBondContact N-O 3.47Å; V29-L72 PolarHBondContact O-N 2.02Å; W42-L72 HydrophobicContact CD2-CD2 3.77Å; W42-L72 VanDerWaalsContact CE2-CD2 3.48Å; W42-L72 HydrophobicContact CG-CD2 3.87Å; W42-L72 HydrophobicContact CH2-CD1 4.31Å; W42-L72 HydrophobicContact CZ2-CD1 3.62Å; W42-L72 HydrophobicContact CZ2-CD2 4Å; W42-L72 HydrophobicContact CZ2-CG 4.41Å; T58-L72 CarbonylContact O-C 3.54Å; T58-L72 WeakPolarHBondContact O-CA 3.4Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.34Å; L59-L72 HydrophobicContact CD1-CD1 4.16Å; L70-L72 HydrophobicContact CD2-CB 4.19Å; L72-K74 HydrophobicContact CD1-CG 4.2Å; L72-K74 HydrophobicContact CD2-CD 4.17Å; L72-K74 HydrophobicContact CD2-CG 4.35Å; L72-K74 HydrophobicContact CG-CD 4.5Å; L72-K74 HydrophobicContact CG-CG 4.15Å; L72-L113 HydrophobicContact CD1-CD2 4.32Å
73S97.9Very high95.3Very high6 Ų648.2 Ų48.24%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-132.2132.1167.5178.90000109.5T58 G168 P196T58-S73 PolarHBondContact N-O 3.3Å; T58-S73 PolarHBondContact O-N 3.16Å; S73-G168 WeakPolarHBondContact OG-CA 3.32Å; S73-G168 PolarHBondContact OG-O 2.82Å; S73-P196 WeakPolarHBondContact OG-CG 3.49Å
74K97.9Very high95.5Very high3 Ų349.7 Ų49.71%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-134.2137.4177.2-57.8177.2152.8-78.50109.5Q25 F26 G27 P44 Q56 D57 L72 N111 L113Q25-K74 HydrophobicContact CB-CD 4.47Å; F26-K74 WeakPolarHBondContact CA-O 3.46Å; F26-K74 WeakPolarHBondContact CD2-O 3.1Å; G27-K74 PolarHBondContact N-O 2.87Å; G27-K74 PolarHBondContact O-N 2.94Å; P44-K74 HydrophobicContact CB-CD 3.89Å; Q56-K74 WeakPolarHBondContact O-CA 3.15Å; D57-K74 WeakPolarHBondContact OD1-CG 3.37Å; D57-K74 IonicContact OD1-NZ 2.78Å; D57-K74 PolarHBondContact OD1-NZ 3.3Å; D57-K74 IonicContact OD2-NZ 3.61Å; L72-K74 HydrophobicContact CD1-CG 4.2Å; L72-K74 HydrophobicContact CD2-CD 4.17Å; L72-K74 HydrophobicContact CD2-CG 4.35Å; L72-K74 HydrophobicContact CG-CD 4.5Å; L72-K74 HydrophobicContact CG-CG 4.15Å; K74-N111 PolarHBondContact NZ-O 3.25Å; K74-N111 VanDerWaalsContact NZ-O 3.15Å; K74-L113 WeakPolarHBondContact CE-O 3.4Å; K74-L113 PolarHBondContact NZ-O 2.75Å
75G96.8Very high95.7Very high11 Ų1156.7 Ų56.711%0.11330%0.299CS..EExtended strand (participates in β ladder)trans168.7-162.1174.500000114.4Q25 Q56Q25-G75 PolarHBondContact O-N 3.4Å; Q56-G75 PolarHBondContact N-O 3.47Å; Q56-G75 PolarHBondContact O-N 3.34Å
76C96.8Very high96.2Very high50 Ų5058.1 Ų58.134%0.33830%0.299SS..EExtended strand (participates in β ladder)trans-78.9147.5176.6-48.90000111.1C49 L53 G54C49-C76 WeakPolarHBondContact CA-SG 3.05Å; C49-C76 HydrophobicContact CB-CB 3.77Å; C49-C76 WeakPolarHBondContact CB-SG 3.31Å; C49-C76 WeakPolarHBondContact SG-CB 3.37Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 3.35Å; L53-C76 HydrophobicContact CB-CB 4.3Å; L53-C76 HydrophobicContact CD1-CB 3.84Å; G54-C76 CarbonylContact O-C 3.58Å; G54-C76 VanDerWaalsContact O-CA 3.26Å; G54-C76 WeakPolarHBondContact O-CA 3.5Å
77T96.8Very high96.5Very high20 Ų2056.1 Ų56.112%0.12329%0.286CS..EExtended strand (participates in β ladder)trans-147.2150.6-179.3-167.30000113.5L53 G54 Q56 A79 V103 R105L53-T77 CarbonylContact C-O 3.58Å; L53-T77 WeakPolarHBondContact CA-O 3.47Å; G54-T77 PolarHBondContact N-O 3.26Å; G54-T77 PolarHBondContact O-N 2.89Å; Q56-T77 HydrophobicContact CB-CG2 3.71Å; Q56-T77 PolarHBondContact OE1-OG1 3.3Å; T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.35Å; T77-A79 PolarHBondContact OG1-N 3.37Å; T77-A79 VanDerWaalsContact OG1-N 3.14Å; T77-V103 HydrophobicContact CG2-CG1 3.58Å; T77-V103 HydrophobicContact CG2-CG2 4.36Å; T77-R105 PolarHBondContact O-NH2 3.1Å
78E95.8Very high96.5Very high169 Ų16957.3 Ų57.379%0.7929%0.292SS*.  trans-85.5-13.5168-68-177.8171.200112.3L53 R105L53-E78 HydrophobicContact CD2-CB 4.29Å; L53-E78 HydrophobicContact CD2-CG 3.34Å; E78-R105 PolarHBondContact O-NH2 2.8Å
79A95.5Very high96.4Very high43 Ų4358.3 Ų58.336%0.35530%0.296SS..SBendtrans-57.8144.9-178.400000111.3T77 V103 R105T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.35Å; T77-A79 PolarHBondContact OG1-N 3.37Å; T77-A79 VanDerWaalsContact OG1-N 3.14Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.37Å; A79-R105 PolarHBondContact O-NH1 2.76Å; A79-R105 PolarHBondContact O-NH2 2.88Å
80K95.8Very high96.2Very high182 Ų18259.5 Ų59.579%0.79130%0.301SS*.PPolyproline II helixtrans-65154.2178.5-64.7-177.3-1791790110.9Q82 V103K80-Q82 PolarHBondContact O-N 2.89Å; K80-V103 WeakPolarHBondContact O-CB 3.44Å; K80-V103 WeakPolarHBondContact O-CG1 3Å
81D97.1Very high95.7Very high90 Ų9064.7 Ų64.748%0.48133%0.326SS..PPolyproline II helixtrans-53.5137.3174.1-65-19.4000110.4V103 R105D81-V103 WeakPolarHBondContact CA-O 3.28Å; D81-R105 WeakPolarHBondContact OD1-CD 3.42Å; D81-R105 VanDerWaalsContact OD1-CG 3.29Å; D81-R105 WeakPolarHBondContact OD1-CG 3.34Å; D81-R105 IonicContact OD1-CZ 3.74Å; D81-R105 PolarHBondContact OD1-N 2.7Å; D81-R105 IonicContact OD1-NH1 2.72Å; D81-R105 PolarHBondContact OD1-NH1 3.33Å
82Q96.9Very high95Very high67 Ų6765.4 Ų65.431%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-147.1121.9-173.6-174.3-158.3-41.900107.7K80 R85 T101 F102 V103K80-Q82 PolarHBondContact O-N 2.89Å; Q82-R85 VanDerWaalsContact NE2-CB 3.26Å; Q82-T101 PolarHBondContact NE2-OG1 3.24Å; Q82-F102 WeakPolarHBondContact O-CD2 3.46Å; Q82-F102 WeakPolarHBondContact O-CE2 3.47Å; Q82-V103 HydrophobicContact CB-CB 4.13Å; Q82-V103 HydrophobicContact CB-CG2 4.4Å; Q82-V103 PolarHBondContact N-O 2.88Å; Q82-V103 PolarHBondContact O-N 3.4Å; Q82-V103 VanDerWaalsContact O-O 3.1Å
83E96.7Very high94.2Very high153 Ų15368 Ų6872%0.71535%0.351SS*.EExtended strand (participates in β ladder)trans-55.7154.2171.4-71-61.8152.900111.8R85E83-R85 PolarHBondContact O-N 2.86Å; E83-R85 VanDerWaalsContact O-N 3.13Å
84P97Very high93.7Very high68 Ų6868.9 Ų68.944%0.44236%0.361SS..EExtended strand (participates in β ladder)trans-53.4121.8179.8-27.336.4000111.4Y100 F102P84-Y100 HydrophobicContact CB-CE2 3.75Å; P84-F102 HydrophobicContact CB-CD2 4.28Å; P84-F102 VanDerWaalsContact CD-CD2 3.43Å; P84-F102 HydrophobicContact CG-CD2 3.52Å; P84-F102 HydrophobicContact CG-CE2 3.8Å; P84-F102 HydrophobicContact CG-CG 4.07Å
85R97.5Very high93.5Very high147 Ų14769 Ų6956%0.55536%0.362SS*.EExtended strand (participates in β ladder)trans-125.8120.6-177.9-178.1-178.8168.5168.3-0.1110.3Q82 E83 T87 Y100 T101Q82-R85 VanDerWaalsContact NE2-CB 3.26Å; E83-R85 PolarHBondContact O-N 2.86Å; E83-R85 VanDerWaalsContact O-N 3.13Å; R85-T87 PolarHBondContact NE-OG1 2.74Å; R85-Y100 CarbonylContact O-C 3.57Å; R85-Y100 VanDerWaalsContact O-CA 3.32Å; R85-Y100 WeakPolarHBondContact O-CA 3.46Å; R85-T101 PolarHBondContact N-O 3.39Å; R85-T101 PolarHBondContact O-N 2.92Å
86V97.1Very high93.3Very high73 Ų7369.1 Ų69.144%0.44236%0.361SS..EExtended strand (participates in β ladder)trans-91.3127.4164.6178.10000108.4I98 S99 Y100 L119V86-I98 HydrophobicContact CG1-CD1 3.67Å; V86-I98 HydrophobicContact CG1-CG1 3.87Å; V86-S99 CarbonylContact C-O 3.59Å; V86-S99 VanDerWaalsContact CA-O 3.22Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; V86-Y100 HydrophobicContact CG2-CD2 4.02Å; V86-L119 HydrophobicContact CB-CD2 4.37Å; V86-L119 HydrophobicContact CG1-CD2 3.67Å; V86-L119 HydrophobicContact CG2-CD2 3.94Å
87T95.4Very high93.2Very high27 Ų2766.7 Ų66.717%0.16635%0.345CS..EExtended strand (participates in β ladder)trans-124.1128.1177.1-54.20000109.3R85 H89 I98 S99R85-T87 PolarHBondContact NE-OG1 2.74Å; T87-H89 PolarHBondContact O-CD2 3.14Å; T87-I98 CarbonylContact O-C 3.54Å; T87-I98 WeakPolarHBondContact O-CA 3.5Å; T87-I98 WeakPolarHBondContact O-CG1 3.22Å; T87-S99 PolarHBondContact N-O 2.79Å; T87-S99 PolarHBondContact O-N 2.93Å
88E93.6Very high93.1Very high89 Ų8967.4 Ų67.442%0.41635%0.347SS..EExtended strand (participates in β ladder)trans-95.9110172.3-158-164.511400108.8M91E88-M91 WeakPolarHBondContact OE1-CA 3.44Å; E88-M91 WeakPolarHBondContact OE1-CB 3.46Å; E88-M91 WeakPolarHBondContact OE1-CE 3.18Å; E88-M91 WeakPolarHBondContact OE1-CG 3.23Å; E88-M91 PolarHBondContact OE1-N 2.83Å; E88-M91 VanDerWaalsContact OE1-N 3.12Å; E88-M91 WeakPolarHBondContact OE2-CE 3.47Å; E88-M91 VanDerWaalsContact OE2-SD 3.41Å
89H92.8Very high93.2Very high21 Ų2159.4 Ų59.410%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-84.6-33.5-178.1-59.1-88.7000110.7T87 L97 S99 N189 T191 I194T87-H89 PolarHBondContact O-CD2 3.14Å; H89-L97 HydrophobicContact CB-CB 4.23Å; H89-L97 HydrophobicContact CB-CD2 3.75Å; H89-L97 HydrophobicContact CB-CG 3.79Å; H89-L97 PolarHBondContact N-O 3.13Å; H89-S99 WeakPolarHBondContact NE2-CB 3.44Å; H89-S99 PolarHBondContact NE2-OG 2.94Å; H89-N189 WeakPolarHBondContact O-CB 3.45Å; H89-N189 PolarHBondContact O-ND2 2.84Å; H89-T191 WeakPolarHBondContact ND1-CG2 3.37Å; H89-T191 PolarHBondContact ND1-OG1 3.28Å; H89-I194 WeakPolarHBondContact NE2-CD1 3.48Å
90R91.3Very high93.3Very high25 Ų2558.3 Ų58.39%0.09430%0.297CS..EExtended strand (participates in β ladder)trans-144.9124.4173175.9169-67.9-83.4-5.2111.3S96 L97 M180 N186 L187R90-S96 WeakPolarHBondContact O-CA 3.3Å; R90-L97 HydrophobicContact CB-CB 4.43Å; R90-L97 PolarHBondContact N-O 2.83Å; R90-L97 VanDerWaalsContact N-O 3.15Å; R90-L97 PolarHBondContact O-N 3.44Å; R90-L97 VanDerWaalsContact O-N 3.11Å; R90-M180 PolarHBondContact NH1-SD 2.82Å; R90-N186 PolarHBondContact NH2-O 2.92Å; R90-L187 PolarHBondContact NE-O 2.65Å
91M86.9Confident93.4Very high111 Ų11150.3 Ų50.355%0.54726%0.263SS..  trans-74.4138.8170.3-164.565.979.200110.6E88E88-M91 WeakPolarHBondContact OE1-CA 3.44Å; E88-M91 WeakPolarHBondContact OE1-CB 3.46Å; E88-M91 WeakPolarHBondContact OE1-CE 3.18Å; E88-M91 WeakPolarHBondContact OE1-CG 3.23Å; E88-M91 PolarHBondContact OE1-N 2.83Å; E88-M91 VanDerWaalsContact OE1-N 3.12Å; E88-M91 WeakPolarHBondContact OE2-CE 3.47Å; E88-M91 VanDerWaalsContact OE2-SD 3.41Å
92G82.1Confident93.5Very high16 Ų1646.9 Ų46.917%0.16524%0.244CC..  trans-67.5-172.7162.300000112.7
93P80.6Confident93.6Very high56 Ų5643.8 Ų43.836%0.36423%0.23SC..SBendcis-85.2153.44.936.6-38.1000112.3A126 P152P93-A126 HydrophobicContact CB-CB 3.57Å; P93-A126 HydrophobicContact CG-CB 3.83Å; P93-P152 VanDerWaalsContact C-CG 3.45Å; P93-P152 HydrophobicContact CB-CB 3.67Å; P93-P152 HydrophobicContact CB-CG 3.54Å; P93-P152 HydrophobicContact CG-CB 3.57Å; P93-P152 HydrophobicContact CG-CG 3.63Å; P93-P152 WeakPolarHBondContact O-CG 3.35Å
94G88Confident93.6Very high26 Ų2636.5 Ų36.527%0.26820%0.196SC..SBendtrans115.2-108.7-174.300000110.6
95L92.8Very high93.5Very high4 Ų436.5 Ų36.52%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-90.7134.5168.1-69.4175.6000111.4E63 S64 Y159 V176 C179 M180 L187E63-L95 WeakPolarHBondContact O-CA 3.32Å; E63-L95 WeakPolarHBondContact O-CD2 3.48Å; S64-L95 VanDerWaalsContact CB-CD2 3.43Å; S64-L95 WeakPolarHBondContact OG-CD2 3.44Å; L95-Y159 HydrophobicContact CD1-CD1 3.53Å; L95-Y159 HydrophobicContact CD1-CE1 4.4Å; L95-Y159 HydrophobicContact CD1-CG 3.66Å; L95-V176 HydrophobicContact CD1-CG1 4.15Å; L95-V176 HydrophobicContact CD2-CG1 3.7Å; L95-C179 PolarHBondContact N-O 3.13Å; L95-C179 VanDerWaalsContact N-O 3.1Å; L95-M180 HydrophobicContact CD1-CG 4.06Å; L95-L187 HydrophobicContact CB-CD1 3.99Å; L95-L187 HydrophobicContact CD1-CD1 4.18Å; L95-L187 HydrophobicContact CD1-CD2 4.46Å
96S92.4Very high93.1Very high14 Ų1435.8 Ų35.810%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-130.5151.7172.672.80000111.1I62 E63 R90I62-S96 WeakPolarHBondContact CA-O 3.38Å; E63-S96 WeakPolarHBondContact CB-OG 3.08Å; E63-S96 PolarHBondContact N-O 2.67Å; E63-S96 PolarHBondContact O-N 3.14Å; R90-S96 WeakPolarHBondContact O-CA 3.3Å
97L94.9Very high92.9Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-139.4116.8170.8168.261.7000108.5M60 L61 I62 H89 R90 L188 I194M60-L97 HydrophobicContact CB-CD1 4.37Å; L61-L97 WeakPolarHBondContact O-CA 3.31Å; I62-L97 HydrophobicContact CD1-CD1 4.36Å; I62-L97 HydrophobicContact CG1-CD1 3.52Å; I62-L97 HydrophobicContact CG1-CG 4.49Å; H89-L97 HydrophobicContact CB-CB 4.23Å; H89-L97 HydrophobicContact CB-CD2 3.75Å; H89-L97 HydrophobicContact CB-CG 3.79Å; H89-L97 PolarHBondContact N-O 3.13Å; R90-L97 HydrophobicContact CB-CB 4.43Å; R90-L97 PolarHBondContact N-O 2.83Å; R90-L97 VanDerWaalsContact N-O 3.15Å; R90-L97 PolarHBondContact O-N 3.44Å; R90-L97 VanDerWaalsContact O-N 3.11Å; L97-L188 HydrophobicContact CD2-CD2 3.83Å; L97-I194 HydrophobicContact CD2-CD1 4.48Å
98I95.4Very high92.9Very high34 Ų3440.8 Ų40.817%0.17421%0.209CC..EExtended strand (participates in β ladder)trans-127.7144.5177.3-165.3177.5000109.6M60 L61 V86 T87 L119M60-I98 WeakPolarHBondContact CA-O 3.04Å; L61-I98 HydrophobicContact CB-CG2 3.94Å; L61-I98 PolarHBondContact N-O 3.01Å; L61-I98 PolarHBondContact O-N 2.9Å; V86-I98 HydrophobicContact CG1-CD1 3.67Å; V86-I98 HydrophobicContact CG1-CG1 3.87Å; T87-I98 CarbonylContact O-C 3.54Å; T87-I98 WeakPolarHBondContact O-CA 3.5Å; T87-I98 WeakPolarHBondContact O-CG1 3.22Å; I98-L119 HydrophobicContact CD1-CD2 4.12Å; I98-L119 HydrophobicContact CG1-CD2 4.01Å; I98-L119 HydrophobicContact CG2-CB 4.17Å; I98-L119 HydrophobicContact CG2-CD1 4.34Å
99S97.1Very high93.1Very high1 Ų139.7 Ų39.71%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-134.6156.3-179.973.90000113.2L59 V86 T87 H89 L119L59-S99 CarbonylContact O-C 3.51Å; L59-S99 WeakPolarHBondContact O-CA 3.49Å; L59-S99 WeakPolarHBondContact O-CB 3.35Å; V86-S99 CarbonylContact C-O 3.59Å; V86-S99 VanDerWaalsContact CA-O 3.22Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; T87-S99 PolarHBondContact N-O 2.79Å; T87-S99 PolarHBondContact O-N 2.93Å; H89-S99 WeakPolarHBondContact NE2-CB 3.44Å; H89-S99 PolarHBondContact NE2-OG 2.94Å; S99-L119 WeakPolarHBondContact O-CD2 3.42Å
100Y98.3Very high93.2Very high21 Ų2139 Ų398%0.08220%0.201CC..EExtended strand (participates in β ladder)trans-122.8133.7170.2171.7-82.4000108.2D57 T58 L59 P84 R85 V86 F102 L113 P118D57-Y100 HydrophobicContact CB-CE1 4Å; T58-Y100 WeakPolarHBondContact CA-O 3.41Å; L59-Y100 PolarHBondContact N-O 3.01Å; L59-Y100 PolarHBondContact O-N 3.15Å; P84-Y100 HydrophobicContact CB-CE2 3.75Å; R85-Y100 CarbonylContact O-C 3.57Å; R85-Y100 VanDerWaalsContact O-CA 3.32Å; R85-Y100 WeakPolarHBondContact O-CA 3.46Å; V86-Y100 HydrophobicContact CG2-CD2 4.02Å; Y100-F102 HydrophobicContact CE1-CB 3.69Å; Y100-L113 HydrophobicContact CD1-CD1 4.47Å; Y100-L113 HydrophobicContact CD1-CD2 3.67Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.22Å; Y100-L113 HydrophobicContact CE1-CD2 3.88Å; Y100-L113 HydrophobicContact CE1-CG 4.4Å; Y100-L113 HydrophobicContact CG-CD2 4.43Å; Y100-P118 HydrophobicContact CD2-CB 3.97Å; Y100-P118 HydrophobicContact CE2-CB 4.32Å
101T98.3Very high93.5Very high13 Ų1337.8 Ų37.88%0.0820%0.196CC..EExtended strand (participates in β ladder)trans-134.3140.6174.252.60000110.5D57 T58 Q82 R85 I194D57-T101 WeakPolarHBondContact O-CA 3.02Å; T58-T101 HydrophobicContact CG2-CG2 4.32Å; Q82-T101 PolarHBondContact NE2-OG1 3.24Å; R85-T101 PolarHBondContact N-O 3.39Å; R85-T101 PolarHBondContact O-N 2.92Å; T101-I194 HydrophobicContact CG2-CG2 3.99Å
102F98.3Very high93.9Very high19 Ų1937.5 Ų37.58%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-150.2136.5176.1177.6-127.1000109.9Q56 D57 Q82 P84 Y100 C104 C110Q56-F102 WeakPolarHBondContact CA-O 3.26Å; D57-F102 HydrophobicContact CB-CB 4.32Å; D57-F102 PolarHBondContact N-O 3.44Å; D57-F102 PolarHBondContact O-N 3.21Å; Q82-F102 WeakPolarHBondContact O-CD2 3.46Å; Q82-F102 WeakPolarHBondContact O-CE2 3.47Å; P84-F102 HydrophobicContact CB-CD2 4.28Å; P84-F102 VanDerWaalsContact CD-CD2 3.43Å; P84-F102 HydrophobicContact CG-CD2 3.52Å; P84-F102 HydrophobicContact CG-CE2 3.8Å; P84-F102 HydrophobicContact CG-CG 4.07Å; Y100-F102 HydrophobicContact CE1-CB 3.69Å; F102-C104 HydrophobicContact CE1-CB 3.82Å; F102-C104 VanDerWaalsContact CE1-SG 3.56Å; F102-C104 HydrophobicContact CE2-CB 4.24Å; F102-C104 HydrophobicContact CZ-CB 3.59Å; F102-C110 WeakPolarHBondContact CE1-O 2.93Å
103V98.3Very high94.6Very high2 Ų237.2 Ų37.21%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-134.3130.4177.7-177.60000109.5C55 Q56 T77 A79 K80 D81 Q82C55-V103 WeakPolarHBondContact O-CA 2.98Å; Q56-V103 HydrophobicContact CB-CG2 4.31Å; Q56-V103 HydrophobicContact CG-CG2 3.97Å; T77-V103 HydrophobicContact CG2-CG1 3.58Å; T77-V103 HydrophobicContact CG2-CG2 4.36Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.37Å; K80-V103 WeakPolarHBondContact O-CB 3.44Å; K80-V103 WeakPolarHBondContact O-CG1 3Å; D81-V103 WeakPolarHBondContact CA-O 3.28Å; Q82-V103 HydrophobicContact CB-CB 4.13Å; Q82-V103 HydrophobicContact CB-CG2 4.4Å; Q82-V103 PolarHBondContact N-O 2.88Å; Q82-V103 PolarHBondContact O-N 3.4Å; Q82-V103 VanDerWaalsContact O-O 3.1Å
104C96.9Very high95.3Very high0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-145.8153.1-173.257.50000112.6G54 C55 F102 C110 N111G54-C104 CarbonylContact C-O 3.59Å; G54-C104 WeakPolarHBondContact CA-O 3.03Å; C55-C104 PolarHBondContact N-O 3.03Å; C55-C104 PolarHBondContact O-N 2.66Å; F102-C104 HydrophobicContact CE1-CB 3.82Å; F102-C104 VanDerWaalsContact CE1-SG 3.56Å; F102-C104 HydrophobicContact CE2-CB 4.24Å; F102-C104 HydrophobicContact CZ-CB 3.59Å; C104-C110 VanDerWaalsContact C-SG 3.57Å; C104-C110 HydrophobicContact CB-CB 3.82Å; C104-C110 WeakPolarHBondContact CB-SG 2.94Å; C104-C110 WeakPolarHBondContact SG-CB 3.41Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 3.46Å; C104-N111 PolarHBondContact SG-N 2.86Å
105R95.1Very high95.7Very high68 Ų6838.1 Ų38.126%0.25719%0.189SC..  trans-136.9-2.6178.7-78.2173.8-17979.3-0.1113.9G52 T77 E78 A79 D81 E107G52-R105 PolarHBondContact O-NE 3.11Å; T77-R105 PolarHBondContact O-NH2 3.1Å; E78-R105 PolarHBondContact O-NH2 2.8Å; A79-R105 PolarHBondContact O-NH1 2.76Å; A79-R105 PolarHBondContact O-NH2 2.88Å; D81-R105 WeakPolarHBondContact OD1-CD 3.42Å; D81-R105 VanDerWaalsContact OD1-CG 3.29Å; D81-R105 WeakPolarHBondContact OD1-CG 3.34Å; D81-R105 IonicContact OD1-CZ 3.74Å; D81-R105 PolarHBondContact OD1-N 2.7Å; D81-R105 IonicContact OD1-NH1 2.72Å; D81-R105 PolarHBondContact OD1-NH1 3.33Å; R105-E107 PolarHBondContact O-N 2.94Å
106Q89.4Confident95.9Very high131 Ų13137.9 Ų37.961%0.61219%0.188SC*.SBendtrans-70-31-16959.9-95.128.200114.4
107E92.9Very high96Very high127 Ų12742.1 Ų42.159%0.59321%0.209SC*.SBendtrans-157.8161-176.768.8-173166.300112.1R105 C110R105-E107 PolarHBondContact O-N 2.94Å; E107-C110 HydrophobicContact CG-CB 4.08Å; E107-C110 WeakPolarHBondContact O-CB 3.39Å; E107-C110 PolarHBondContact O-N 2.76Å; E107-C110 PolarHBondContact O-SG 3.04Å
108D96.1Very high96Very high78 Ų7844.9 Ų44.942%0.41723%0.227SC..THydrogen-bonded Turntrans-58138.4175.3-74-20.2000111.5L23 C110L23-D108 HydrophobicContact CB-CB 4.06Å; L23-D108 PolarHBondContact N-OD1 2.89Å; L23-D108 CarbonylContact O-C 3.3Å; L23-D108 WeakPolarHBondContact O-CA 3.42Å; D108-C110 PolarHBondContact O-N 3.15Å
109F96.4Very high95.9Very high66 Ų6643.7 Ų43.729%0.28922%0.22SC..THydrogen-bonded Turntrans59.824.9177.8-47.4-66.5000114.9L23 Q25 N46 N111L23-F109 HydrophobicContact CB-CD1 4.3Å; L23-F109 HydrophobicContact CB-CE1 3.64Å; L23-F109 HydrophobicContact CB-CE2 4.05Å; L23-F109 HydrophobicContact CB-CZ 3.51Å; L23-F109 HydrophobicContact CD1-CE2 4.11Å; L23-F109 HydrophobicContact CD1-CZ 3.77Å; L23-F109 HydrophobicContact CG-CZ 4.24Å; L23-F109 PolarHBondContact O-N 2.72Å; Q25-F109 HydrophobicContact CG-CB 4.42Å; Q25-F109 HydrophobicContact CG-CD1 4.28Å; N46-F109 HydrophobicContact CB-CE1 3.79Å; N46-F109 HydrophobicContact CB-CZ 4.42Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.4Å; F109-N111 PolarHBondContact O-N 3.04Å; F109-N111 VanDerWaalsContact O-N 3.16Å
110C96.3Very high95.4Very high7 Ų746.2 Ų46.25%0.04723%0.23CC..  trans-59.5-26.117963.60000113.3F102 C104 E107 D108 N112F102-C110 WeakPolarHBondContact CE1-O 2.93Å; C104-C110 VanDerWaalsContact C-SG 3.57Å; C104-C110 HydrophobicContact CB-CB 3.82Å; C104-C110 WeakPolarHBondContact CB-SG 2.94Å; C104-C110 WeakPolarHBondContact SG-CB 3.41Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 3.46Å; E107-C110 HydrophobicContact CG-CB 4.08Å; E107-C110 WeakPolarHBondContact O-CB 3.39Å; E107-C110 PolarHBondContact O-N 2.76Å; E107-C110 PolarHBondContact O-SG 3.04Å; D108-C110 PolarHBondContact O-N 3.15Å; C110-N112 PolarHBondContact O-N 2.79Å
111N97Very high94.6Very high0 Ų048.7 Ų48.70%026%0.255CS..  trans-79.566175.672.3-40.3000112.5Q25 C55 Q56 D57 K74 C104 F109 L113Q25-N111 WeakPolarHBondContact CB-OD1 3.42Å; Q25-N111 VanDerWaalsContact CD-O 3.29Å; Q25-N111 PolarHBondContact N-OD1 2.03Å; Q25-N111 PolarHBondContact O-ND2 3.5Å; Q25-N111 PolarHBondContact OE1-O 2.78Å; C55-N111 HydrophobicContact CB-CB 3.62Å; C55-N111 VanDerWaalsContact CB-CG 3.49Å; C55-N111 WeakPolarHBondContact CB-OD1 3.4Å; Q56-N111 PolarHBondContact O-ND2 2.81Å; D57-N111 VanDerWaalsContact OD2-CA 3.31Å; D57-N111 WeakPolarHBondContact OD2-CA 3.34Å; K74-N111 PolarHBondContact NZ-O 3.25Å; K74-N111 VanDerWaalsContact NZ-O 3.15Å; C104-N111 PolarHBondContact SG-N 2.86Å; F109-N111 PolarHBondContact O-N 3.04Å; F109-N111 VanDerWaalsContact O-N 3.16Å; N111-L113 PolarHBondContact O-N 2.69Å
112N95.8Very high93.3Very high104 Ų10452.4 Ų52.456%0.55628%0.279SS*.  trans-93.821.5-166.6694.4000115.6D57 C110 V114D57-N112 PolarHBondContact OD2-N 2.99Å; C110-N112 PolarHBondContact O-N 2.79Å; N112-V114 PolarHBondContact O-N 3.32Å
113L96.7Very high92Very high11 Ų1156.3 Ų56.36%0.05830%0.298CS..  trans-65.6106.3177.3-176.474.7000111.2W42 D57 L59 L72 K74 Y100 N111 N115 P118W42-L113 HydrophobicContact CZ2-CD2 4.13Å; W42-L113 HydrophobicContact CZ2-CG 4.02Å; W42-L113 PolarHBondContact NE1-O 3.22Å; D57-L113 HydrophobicContact CB-CB 4.14Å; D57-L113 HydrophobicContact CB-CD2 4.44Å; D57-L113 WeakPolarHBondContact OD2-CB 3.41Å; D57-L113 PolarHBondContact OD2-N 2.76Å; L59-L113 HydrophobicContact CB-CD2 3.78Å; L59-L113 HydrophobicContact CD2-CD2 4.09Å; L72-L113 HydrophobicContact CD1-CD2 4.32Å; K74-L113 WeakPolarHBondContact CE-O 3.4Å; K74-L113 PolarHBondContact NZ-O 2.75Å; Y100-L113 HydrophobicContact CD1-CD1 4.47Å; Y100-L113 HydrophobicContact CD1-CD2 3.67Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.22Å; Y100-L113 HydrophobicContact CE1-CD2 3.88Å; Y100-L113 HydrophobicContact CE1-CG 4.4Å; Y100-L113 HydrophobicContact CG-CD2 4.43Å; N111-L113 PolarHBondContact O-N 2.69Å; L113-N115 WeakPolarHBondContact CD1-O 2.94Å; L113-P118 HydrophobicContact CD1-CG 3.6Å
114V95.9Very high90.9Very high61 Ų6161.4 Ų61.437%0.3733%0.331SS..  trans-109.42.8-175.9-68.50000114.5Q41 W42 N112Q41-V114 WeakPolarHBondContact CA-O 2.97Å; W42-V114 VanDerWaalsContact CE2-C 3.49Å; W42-V114 PolarHBondContact N-O 2.95Å; N112-V114 PolarHBondContact O-N 3.32Å
115N95.8Very high89.8Confident39 Ų3967.8 Ų67.821%0.20937%0.372CS..BIsolated β-bridgetrans-156.1166.6179.46559.1000112.6R40 Q41 W42 L113 L117R40-N115 CarbonylContact O-C 3.54Å; R40-N115 WeakPolarHBondContact O-CA 3.35Å; R40-N115 VanDerWaalsContact O-CB 3.28Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; Q41-N115 HydrophobicContact CB-CB 4.46Å; Q41-N115 HydrophobicContact CG-CB 3.94Å; W42-N115 VanDerWaalsContact CH2-O 3.28Å; W42-N115 WeakPolarHBondContact CH2-O 3.29Å; L113-N115 WeakPolarHBondContact CD1-O 2.94Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.09Å; N115-L117 WeakPolarHBondContact OD1-CB 3.36Å; N115-L117 PolarHBondContact OD1-N 2.78Å
116S96.1Very high89.3Confident0 Ų066.8 Ų66.80%038%0.379CS..SBendtrans-85.47.6-179.170.30000114.3P39 R40 W42 P118 L119 W120P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.36Å; P39-S116 WeakPolarHBondContact CB-OG 3.32Å; R40-S116 PolarHBondContact N-OG 2.91Å; R40-S116 PolarHBondContact O-N 2.62Å; W42-S116 VanDerWaalsContact CH2-N 3.3Å; S116-P118 VanDerWaalsContact C-CD 3.41Å; S116-P118 VanDerWaalsContact C-N 3.34Å; S116-L119 PolarHBondContact O-N 2.85Å; S116-L119 VanDerWaalsContact O-N 3.17Å; S116-W120 PolarHBondContact O-N 2.97Å
117L95.2Very high89.3Confident103 Ų10365.8 Ų65.854%0.53938%0.378SS..G310 helixtrans-56.8-38.2-175.9-167.169.5000113.4P39 N115 L119 W120P39-L117 HydrophobicContact CB-CD1 4.39Å; P39-L117 HydrophobicContact CG-CD1 4.13Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.09Å; N115-L117 WeakPolarHBondContact OD1-CB 3.36Å; N115-L117 PolarHBondContact OD1-N 2.78Å; L117-L119 PolarHBondContact O-N 3.05Å; L117-L119 VanDerWaalsContact O-N 3.11Å; L117-W120 PolarHBondContact O-N 3.12Å
118P94.3Very high89.2Confident58 Ų5864.6 Ų64.638%0.37738%0.381SS..G310 helixtrans-62.6-21.3-179.3-28.540.1000114.8Y100 L113 S116Y100-P118 HydrophobicContact CD2-CB 3.97Å; Y100-P118 HydrophobicContact CE2-CB 4.32Å; L113-P118 HydrophobicContact CD1-CG 3.6Å; S116-P118 VanDerWaalsContact C-CD 3.41Å; S116-P118 VanDerWaalsContact C-N 3.34Å
119L93.6Very high89Confident8 Ų862.1 Ų62.14%0.04237%0.374CS..G310 helixtrans-105-5.9176.8-60.9-169.8000112.9L59 L61 V86 I98 S99 S116 L117 A121L59-L119 HydrophobicContact CB-CD1 4.2Å; L59-L119 HydrophobicContact CD2-CB 4.44Å; L59-L119 HydrophobicContact CD2-CD1 3.66Å; L59-L119 HydrophobicContact CD2-CG 3.91Å; L59-L119 HydrophobicContact CG-CD1 3.66Å; L59-L119 HydrophobicContact CG-CG 4.45Å; L61-L119 HydrophobicContact CD1-CB 3.64Å; L61-L119 HydrophobicContact CG-CB 4.1Å; L61-L119 HydrophobicContact CG-CD1 4.16Å; V86-L119 HydrophobicContact CB-CD2 4.37Å; V86-L119 HydrophobicContact CG1-CD2 3.67Å; V86-L119 HydrophobicContact CG2-CD2 3.94Å; I98-L119 HydrophobicContact CD1-CD2 4.12Å; I98-L119 HydrophobicContact CG1-CD2 4.01Å; I98-L119 HydrophobicContact CG2-CB 4.17Å; I98-L119 HydrophobicContact CG2-CD1 4.34Å; S99-L119 WeakPolarHBondContact O-CD2 3.42Å; S116-L119 PolarHBondContact O-N 2.85Å; S116-L119 VanDerWaalsContact O-N 3.17Å; L117-L119 PolarHBondContact O-N 3.05Å; L117-L119 VanDerWaalsContact O-N 3.11Å; L119-A121 PolarHBondContact O-N 3.06Å
120W86.8Confident88.8Confident54 Ų5465 Ų6521%0.20540%0.403CS..  trans-89.9103.2-175.4-178.4-117.1000111V35 L38 P39 S116 L117 P122V35-W120 HydrophobicContact CG1-CH2 3.57Å; V35-W120 HydrophobicContact CG1-CZ3 3.91Å; V35-W120 WeakPolarHBondContact O-CH2 3.21Å; L38-W120 HydrophobicContact CB-CD2 3.75Å; L38-W120 HydrophobicContact CB-CE3 3.61Å; L38-W120 HydrophobicContact CB-CG 4.44Å; L38-W120 HydrophobicContact CB-CH2 4.04Å; L38-W120 HydrophobicContact CB-CZ2 4.15Å; L38-W120 HydrophobicContact CB-CZ3 3.78Å; L38-W120 HydrophobicContact CD1-CD2 4.4Å; L38-W120 HydrophobicContact CD1-CE3 3.5Å; L38-W120 HydrophobicContact CD1-CZ3 3.64Å; L38-W120 HydrophobicContact CG-CE3 4.2Å; L38-W120 HydrophobicContact CG-CZ3 4.26Å; P39-W120 HydrophobicContact CB-CB 4.41Å; P39-W120 HydrophobicContact CB-CG 4.39Å; S116-W120 PolarHBondContact O-N 2.97Å; L117-W120 PolarHBondContact O-N 3.12Å; W120-P122 HydrophobicContact CH2-CG 4.49Å; W120-P122 HydrophobicContact CZ2-CB 4.38Å; W120-P122 HydrophobicContact CZ2-CG 3.75Å
121A81.9Confident88.6Confident73 Ų7367 Ų6760%0.60341%0.412SS*.  trans-13399.8170.200000108.5L119 Q123L119-A121 PolarHBondContact O-N 3.06Å; A121-Q123 PolarHBondContact O-N 3.28Å
122P70.8Confident88.5Confident92 Ų9273.4 Ų73.460%0.59744%0.436SS*.PPolyproline II helixtrans-53.6117178.1-21.929.3000110.1W120W120-P122 HydrophobicContact CH2-CG 4.49Å; W120-P122 HydrophobicContact CZ2-CB 4.38Å; W120-P122 HydrophobicContact CZ2-CG 3.75Å
123Q71.3Confident88.4Confident101 Ų10168.5 Ų68.547%0.47241%0.41SS..PPolyproline II helixtrans-73.2139.9174.7-63.8-144.5-30.400109.5A121A121-Q123 PolarHBondContact O-N 3.28Å
124P73.9Confident88.2Confident108 Ų10869.4 Ų69.470%0.70142%0.417SS*.PPolyproline II helixtrans-60.2150.6173.224.3-31.2000110.2A126P124-A126 PolarHBondContact O-N 2.71Å; P124-A126 VanDerWaalsContact O-N 3.12Å
125P75Confident88Confident134 Ų13467.1 Ų67.187%0.8740%0.403SS*.PPolyproline II helixtrans-54.4122.4175.9-2332.5000110.1
126A83.3Confident87.8Confident48 Ų4865.7 Ų65.740%0.39740%0.396SS..PPolyproline II helixtrans-75.1146.217500000110.2P93 P124 P152P93-A126 HydrophobicContact CB-CB 3.57Å; P93-A126 HydrophobicContact CG-CB 3.83Å; P124-A126 PolarHBondContact O-N 2.71Å; P124-A126 VanDerWaalsContact O-N 3.12Å; A126-P152 HydrophobicContact CB-CB 3.55Å
127D89.6Confident87.6Confident110 Ų11066 Ų6659%0.58840%0.397SS*.PPolyproline II helixtrans-55.1131.7173.3-72.7-23.9000109.8G129 K153D127-G129 PolarHBondContact O-N 2.84Å; D127-K153 HydrophobicContact CB-CB 4.13Å; D127-K153 HydrophobicContact CB-CD 4.28Å; D127-K153 WeakPolarHBondContact O-CB 3.38Å; D127-K153 PolarHBondContact O-N 3.37Å
128P91.6Very high87.4Confident101 Ų10162.2 Ų62.266%0.65638%0.379SS*.EExtended strand (participates in β ladder)trans-66.2136.8179.626.1-32.9000110.9I150P128-I150 HydrophobicContact CB-CG2 4.02Å
129G91.3Very high87Confident27 Ų2762.7 Ų62.728%0.27838%0.377SS..EExtended strand (participates in β ladder)trans-90.1-163170.100000112.1D127 I150 C151D127-G129 PolarHBondContact O-N 2.84Å; G129-I150 WeakPolarHBondContact O-CG2 3.44Å; G129-C151 VanDerWaalsContact CA-O 3.23Å; G129-C151 WeakPolarHBondContact CA-O 3.5Å; G129-C151 PolarHBondContact N-O 3.03Å
130S91.9Very high86.3Confident127 Ų12766.8 Ų66.889%0.88840%0.396SS*.EExtended strand (participates in β ladder)trans-107.2-14.3178.159.30000114
131L94.1Very high86Confident47 Ų4764.8 Ų64.825%0.24639%0.393CS..EExtended strand (participates in β ladder)trans-80.4141.5-179.2179.965.9000110.1C151 T156L131-C151 HydrophobicContact CB-CB 4.18Å; L131-C151 HydrophobicContact CG-CB 4.47Å; L131-C151 WeakPolarHBondContact O-CB 3.28Å; L131-C151 PolarHBondContact O-N 3.17Å; L131-T156 VanDerWaalsContact CD2-C 3.47Å
132R94.6Very high85.9Confident136 Ų13662.9 Ų62.951%0.51338%0.375SS..EExtended strand (participates in β ladder)trans-114.7134.8168.6-76.5175.8155.1-102.3-7.9109E148 E149 I150R132-E148 IonicContact NH1-OE2 3.89Å; R132-E149 WeakPolarHBondContact CA-O 3.35Å; R132-I150 HydrophobicContact CG-CG1 4.18Å
133C93.2Very high85.8Confident0 Ų064.5 Ų64.50%038%0.378CS..EExtended strand (participates in β ladder)trans-132.9148.2177.7-68.20000110.9E148 E149 C151 C158C133-E148 VanDerWaalsContact O-CA 3.29Å; C133-E148 WeakPolarHBondContact O-CA 3.29Å; C133-E149 PolarHBondContact N-O 2.96Å; C133-E149 VanDerWaalsContact N-O 3.15Å; C133-E149 PolarHBondContact O-N 3.15Å; C133-C151 VanDerWaalsContact CB-SG 3.55Å; C133-C151 PolarHBondContact SG-SG 3.11Å; C133-C158 WeakPolarHBondContact CA-SG 3.47Å; C133-C158 HydrophobicContact CB-CB 3.68Å; C133-C158 WeakPolarHBondContact CB-SG 3.41Å; C133-C158 WeakPolarHBondContact SG-CA 3.36Å; C133-C158 WeakPolarHBondContact SG-CB 3.43Å; C133-C158 CovalentContact SG-SG 2.03Å; C133-C158 PolarHBondContact SG-SG 2.78Å
134P92.2Very high85.4Confident31 Ų3169.4 Ų69.420%0.20140%0.401CS..EExtended strand (participates in β ladder)trans-59.6139.7164.728-34.2000109.4T146 Q177 G178P134-T146 WeakPolarHBondContact CB-OG1 3.49Å; P134-Q177 HydrophobicContact CB-CB 4.49Å; P134-Q177 HydrophobicContact CG-CB 4.49Å; P134-Q177 CarbonylContact O-C 3.54Å; P134-G178 WeakPolarHBondContact O-CA 3.21Å; P134-G178 PolarHBondContact O-N 2.97Å
135V91.6Very high84.6Confident12 Ų1268.2 Ų68.27%0.07341%0.408CS..  trans-119129172.1-74.30000110T147 E149 Q177V135-T147 VanDerWaalsContact CG2-O 3.23Å; V135-T147 WeakPolarHBondContact CG2-O 3.28Å; V135-T147 PolarHBondContact N-O 3.11Å; V135-T147 VanDerWaalsContact N-O 3.13Å; V135-E149 HydrophobicContact CB-CG 4.43Å; V135-E149 HydrophobicContact CG1-CB 4.03Å; V135-E149 HydrophobicContact CG1-CG 4.11Å; V135-E149 HydrophobicContact CG2-CB 4.16Å; V135-E149 HydrophobicContact CG2-CG 3.44Å; V135-E149 VanDerWaalsContact CG2-CG 3.44Å; V135-Q177 WeakPolarHBondContact CA-O 3.42Å
136C90.8Very high84.1Confident10 Ų1063.8 Ų63.87%0.06838%0.378CS..EExtended strand (participates in β ladder)trans-160.8135.6179.3179.40000111.6C142 T146 V176 Q177C136-C142 HydrophobicContact CB-CB 3.8Å; C136-C142 WeakPolarHBondContact CB-SG 3.33Å; C136-C142 WeakPolarHBondContact SG-CB 3.49Å; C136-C142 CovalentContact SG-SG 2.02Å; C136-C142 PolarHBondContact SG-SG 2.98Å; C136-T146 HydrophobicContact CB-CG2 4.18Å; C136-V176 CarbonylContact O-C 3.42Å; C136-V176 WeakPolarHBondContact O-CA 3.34Å; C136-Q177 HydrophobicContact CB-CB 4Å; C136-Q177 HydrophobicContact CB-CG 4.39Å; C136-Q177 PolarHBondContact N-O 3.43Å; C136-Q177 PolarHBondContact O-N 2.91Å
137L92.9Very high83.9Confident6 Ų666 Ų663%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-123.8118.5161.6-65.8178.1000108V32 I62 Q67 L174 R175 V176V32-L137 HydrophobicContact CG1-CB 3.79Å; V32-L137 HydrophobicContact CG2-CB 4.07Å; I62-L137 HydrophobicContact CG2-CD2 4.13Å; I62-L137 WeakPolarHBondContact O-CD1 2.95Å; Q67-L137 HydrophobicContact CB-CB 4.26Å; Q67-L137 HydrophobicContact CB-CD1 3.93Å; Q67-L137 HydrophobicContact CB-CG 4.24Å; L137-L174 HydrophobicContact CB-CD1 4.48Å; L137-L174 HydrophobicContact CD2-CD2 4.49Å; L137-R175 WeakPolarHBondContact CA-O 3.11Å; L137-V176 HydrophobicContact CD2-CB 4.05Å; L137-V176 HydrophobicContact CD2-CG1 3.74Å; L137-V176 HydrophobicContact CD2-CG2 3.69Å
138S90.1Very high83.9Confident23 Ų2365.6 Ų65.616%0.16138%0.382CS..EExtended strand (participates in β ladder)trans-151.1136.7-177.7-177.70000113.1E140 G141 L174 R175 M237S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact OG-N 2.89Å; S138-G141 WeakPolarHBondContact CB-O 2.91Å; S138-G141 PolarHBondContact OG-N 3.05Å; S138-G141 PolarHBondContact OG-O 2.85Å; S138-L174 CarbonylContact O-C 3.54Å; S138-R175 PolarHBondContact N-O 3.04Å; S138-R175 PolarHBondContact O-N 2.79Å; S138-M237 WeakPolarHBondContact O-CE 3.5Å
139M85.8Confident83.8Confident68 Ų6864.6 Ų64.634%0.33537%0.368SS..SBendtrans-85.5-11.6169.8-64.5179.2-69.300112.7Q30 N173 L174 M237Q30-M139 HydrophobicContact CB-SD 4.46Å; Q30-M139 HydrophobicContact CG-SD 3.65Å; M139-N173 WeakPolarHBondContact CA-O 3.22Å; M139-L174 HydrophobicContact CG-CD1 4.27Å; M139-M237 VanDerWaalsContact C-CE 3.47Å; M139-M237 VanDerWaalsContact O-CE 3.24Å; M139-M237 WeakPolarHBondContact O-CE 3.34Å
140E79.9Confident83.9Confident94 Ų9467.2 Ų67.244%0.43938%0.375SS..SBendtrans-106.8-14.9-175.5-57.4-174171.800112.1S138 T210 T235S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact OG-N 2.89Å; E140-T210 VanDerWaalsContact O-CG2 3.3Å; E140-T210 WeakPolarHBondContact O-CG2 3.27Å; E140-T235 WeakPolarHBondContact CB-OG1 3.26Å; E140-T235 PolarHBondContact O-OG1 3.43Å
141G79.6Confident84Confident13 Ų1361.1 Ų61.113%0.13433%0.332CS..  trans118.4162.5-174.600000112S138S138-G141 WeakPolarHBondContact CB-O 2.91Å; S138-G141 PolarHBondContact OG-N 3.05Å; S138-G141 PolarHBondContact OG-O 2.85Å
142C80.4Confident83.9Confident32 Ų3259.7 Ų59.722%0.21633%0.326CS..PPolyproline II helixtrans-103.7124.2176.2-60.20000108.6C136 T146 R175C136-C142 HydrophobicContact CB-CB 3.8Å; C136-C142 WeakPolarHBondContact CB-SG 3.33Å; C136-C142 WeakPolarHBondContact SG-CB 3.49Å; C136-C142 CovalentContact SG-SG 2.02Å; C136-C142 PolarHBondContact SG-SG 2.98Å; C142-T146 HydrophobicContact CB-CG2 4.17Å; C142-R175 HydrophobicContact CB-CG 4.2Å; C142-R175 WeakPolarHBondContact SG-CG 3.36Å
143L68.7Low83.8Confident126 Ų12660.4 Ų60.466%0.6633%0.333SS*.PPolyproline II helixtrans-72.8146.5-179.5-65.1172000111G145 T146L143-G145 PolarHBondContact O-N 2.8Å; L143-T146 VanDerWaalsContact O-CG2 3.24Å; L143-T146 WeakPolarHBondContact O-CG2 3.33Å; L143-T146 PolarHBondContact O-N 2.76Å
144E62.1Low83.6Confident205 Ų20563.2 Ų63.296%0.95836%0.361SS*.THydrogen-bonded Turntrans-58.7133.6170-70.9-172.4155.800110.7
145G58.8Low83.5Confident82 Ų8262.5 Ų62.585%0.84536%0.357SS*.THydrogen-bonded Turntrans91.820.7-175.100000115.1L143L143-G145 PolarHBondContact O-N 2.8Å
146T63.6Low83.5Confident41 Ų4165.8 Ų65.825%0.25238%0.377SS..PPolyproline II helixtrans-47.9146.5170.743.60000113.1P134 C136 C142 L143 E148P134-T146 WeakPolarHBondContact CB-OG1 3.49Å; C136-T146 HydrophobicContact CB-CG2 4.18Å; C142-T146 HydrophobicContact CB-CG2 4.17Å; L143-T146 VanDerWaalsContact O-CG2 3.24Å; L143-T146 WeakPolarHBondContact O-CG2 3.33Å; L143-T146 PolarHBondContact O-N 2.76Å; T146-E148 PolarHBondContact O-N 2.98Å
147T79.8Confident83.6Confident94 Ų9468.8 Ų68.858%0.57739%0.39SS*.PPolyproline II helixtrans-53.2123.1171.2-510000110.2V135V135-T147 VanDerWaalsContact CG2-O 3.23Å; V135-T147 WeakPolarHBondContact CG2-O 3.28Å; V135-T147 PolarHBondContact N-O 3.11Å; V135-T147 VanDerWaalsContact N-O 3.13Å
148E89Confident83.6Confident103 Ų10371.3 Ų71.348%0.48141%0.407SS..EExtended strand (participates in β ladder)trans-87.7135.9168.1-68.9-173.516800110.4R132 C133 T146R132-E148 IonicContact NH1-OE2 3.89Å; C133-E148 VanDerWaalsContact O-CA 3.29Å; C133-E148 WeakPolarHBondContact O-CA 3.29Å; T146-E148 PolarHBondContact O-N 2.98Å
149E89.6Confident83.7Confident79 Ų7970.6 Ų70.637%0.36940%0.401SS..EExtended strand (participates in β ladder)trans-112.1149.1174.6-72.2-69.2171.500110.9R132 C133 V135 C151R132-E149 WeakPolarHBondContact CA-O 3.35Å; C133-E149 PolarHBondContact N-O 2.96Å; C133-E149 VanDerWaalsContact N-O 3.15Å; C133-E149 PolarHBondContact O-N 3.15Å; V135-E149 HydrophobicContact CB-CG 4.43Å; V135-E149 HydrophobicContact CG1-CB 4.03Å; V135-E149 HydrophobicContact CG1-CG 4.11Å; V135-E149 HydrophobicContact CG2-CB 4.16Å; V135-E149 HydrophobicContact CG2-CG 3.44Å; V135-E149 VanDerWaalsContact CG2-CG 3.44Å; E149-C151 PolarHBondContact O-N 3.11Å
150I93.6Very high83.9Confident82 Ų8268.9 Ų68.942%0.42139%0.393SS..EExtended strand (participates in β ladder)trans-72117.1170.2-64.8169.7000107.2P128 G129 R132P128-I150 HydrophobicContact CB-CG2 4.02Å; G129-I150 WeakPolarHBondContact O-CG2 3.44Å; R132-I150 HydrophobicContact CG-CG1 4.18Å
151C93.3Very high84.4Confident0 Ų064.5 Ų64.50%037%0.373CS..EExtended strand (participates in β ladder)trans-70.3148.3-179.6-65.10000111.6G129 L131 C133 E149 T155 C179G129-C151 VanDerWaalsContact CA-O 3.23Å; G129-C151 WeakPolarHBondContact CA-O 3.5Å; G129-C151 PolarHBondContact N-O 3.03Å; L131-C151 HydrophobicContact CB-CB 4.18Å; L131-C151 HydrophobicContact CG-CB 4.47Å; L131-C151 WeakPolarHBondContact O-CB 3.28Å; L131-C151 PolarHBondContact O-N 3.17Å; C133-C151 VanDerWaalsContact CB-SG 3.55Å; C133-C151 PolarHBondContact SG-SG 3.11Å; E149-C151 PolarHBondContact O-N 3.11Å; C151-T155 HydrophobicContact CB-CG2 4.44Å; C151-T155 WeakPolarHBondContact CB-OG1 3.4Å; C151-C179 WeakPolarHBondContact CA-SG 3.49Å; C151-C179 HydrophobicContact CB-CB 3.55Å; C151-C179 WeakPolarHBondContact CB-SG 3.21Å; C151-C179 WeakPolarHBondContact SG-CB 3.35Å; C151-C179 CovalentContact SG-SG 2.03Å; C151-C179 PolarHBondContact SG-SG 3.19Å
152P93.1Very high84.9Confident17 Ų1764 Ų6411%0.1137%0.367CS..EExtended strand (participates in β ladder)trans-68154.4179.126.3-32.1000111.7P93 A126 G154 T155P93-P152 VanDerWaalsContact C-CG 3.45Å; P93-P152 HydrophobicContact CB-CB 3.67Å; P93-P152 HydrophobicContact CB-CG 3.54Å; P93-P152 HydrophobicContact CG-CB 3.57Å; P93-P152 HydrophobicContact CG-CG 3.63Å; P93-P152 WeakPolarHBondContact O-CG 3.35Å; A126-P152 HydrophobicContact CB-CB 3.55Å; P152-G154 PolarHBondContact O-N 3.03Å; P152-T155 HydrophobicContact CG-CG2 3.72Å; P152-T155 WeakPolarHBondContact O-CB 3.2Å; P152-T155 WeakPolarHBondContact O-CG2 3.22Å; P152-T155 PolarHBondContact O-N 3.25Å; P152-T155 VanDerWaalsContact O-N 3.14Å; P152-T155 PolarHBondContact O-OG1 3.42Å
153K91.8Very high85.5Confident150 Ų15062.5 Ų62.565%0.65236%0.357SS*.THydrogen-bonded Turntrans-56.8133.7177.9-171.2179.5-179.4-177.40110.3D127D127-K153 HydrophobicContact CB-CB 4.13Å; D127-K153 HydrophobicContact CB-CD 4.28Å; D127-K153 WeakPolarHBondContact O-CB 3.38Å; D127-K153 PolarHBondContact O-N 3.37Å
154G88.3Confident86.6Confident59 Ų5960.6 Ų60.661%0.60834%0.341SS*.THydrogen-bonded Turntrans97.4-11.1-17600000114P152P152-G154 PolarHBondContact O-N 3.03Å
155T91.6Very high88.1Confident17 Ų1750.8 Ų50.810%0.10430%0.295CS..  trans-79.2147165.862.90000110.9C151 P152 C179C151-T155 HydrophobicContact CB-CG2 4.44Å; C151-T155 WeakPolarHBondContact CB-OG1 3.4Å; P152-T155 HydrophobicContact CG-CG2 3.72Å; P152-T155 WeakPolarHBondContact O-CB 3.2Å; P152-T155 WeakPolarHBondContact O-CG2 3.22Å; P152-T155 PolarHBondContact O-N 3.25Å; P152-T155 VanDerWaalsContact O-N 3.14Å; P152-T155 PolarHBondContact O-OG1 3.42Å; T155-C179 HydrophobicContact CG2-CB 3.9Å
156T91.2Very high89.8Confident80 Ų8049 Ų4949%0.49126%0.263SS..  trans-133.8-13.8-17652.30000112.9L131 M180 P181L131-T156 VanDerWaalsContact CD2-C 3.47Å; T156-M180 PolarHBondContact N-O 2.96Å; T156-M180 VanDerWaalsContact N-O 3.07Å; T156-P181 PolarHBondContact OG1-O 3.07Å
157H92.3Very high91.3Very high73 Ų7348.5 Ų48.534%0.33827%0.267SS..EExtended strand (participates in β ladder)trans-143.7157.8-175.3-57.585.2000112M180 P183H157-M180 PolarHBondContact N-O 2.87Å; H157-M180 VanDerWaalsContact N-O 3.11Å; H157-M180 PolarHBondContact O-N 3.11Å; H157-M180 VanDerWaalsContact O-O 3.13Å; H157-P183 WeakPolarHBondContact ND1-CD 3.49Å
158C92.7Very high91.9Very high59 Ų5945.5 Ų45.540%0.39925%0.254SS..EExtended strand (participates in β ladder)trans-93.1126.5168.3-50.90000109C133 G178C133-C158 WeakPolarHBondContact CA-SG 3.47Å; C133-C158 HydrophobicContact CB-CB 3.68Å; C133-C158 WeakPolarHBondContact CB-SG 3.41Å; C133-C158 WeakPolarHBondContact SG-CA 3.36Å; C133-C158 WeakPolarHBondContact SG-CB 3.43Å; C133-C158 CovalentContact SG-SG 2.03Å; C133-C158 PolarHBondContact SG-SG 2.78Å; C158-G178 WeakPolarHBondContact CA-O 3.26Å
159Y92.8Very high92.1Very high8 Ų843.6 Ų43.63%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-85.6136.7169.1176.8-87.4000109.1L95 V176 Q177 G178 M180 L187 C203L95-Y159 HydrophobicContact CD1-CD1 3.53Å; L95-Y159 HydrophobicContact CD1-CE1 4.4Å; L95-Y159 HydrophobicContact CD1-CG 3.66Å; Y159-V176 HydrophobicContact CD1-CB 4.44Å; Y159-V176 HydrophobicContact CD1-CG1 4.13Å; Y159-V176 WeakPolarHBondContact CD1-O 3.38Å; Y159-V176 HydrophobicContact CE1-CB 3.94Å; Y159-V176 HydrophobicContact CE1-CG1 4Å; Y159-V176 WeakPolarHBondContact CE1-O 3.35Å; Y159-Q177 VanDerWaalsContact O-CA 3.26Å; Y159-Q177 WeakPolarHBondContact O-CA 3.48Å; Y159-G178 PolarHBondContact N-O 2.77Å; Y159-G178 PolarHBondContact O-N 2.87Å; Y159-M180 HydrophobicContact CD2-CE 3.74Å; Y159-M180 HydrophobicContact CD2-CG 4.45Å; Y159-M180 HydrophobicContact CE2-CE 4.46Å; Y159-M180 HydrophobicContact CG-CG 4.38Å; Y159-L187 HydrophobicContact CD1-CD2 4.37Å; Y159-L187 HydrophobicContact CD2-CB 4.32Å; Y159-L187 HydrophobicContact CE1-CB 4.2Å; Y159-L187 HydrophobicContact CE1-CD2 3.69Å; Y159-L187 HydrophobicContact CE2-CB 3.59Å; Y159-C203 WeakPolarHBondContact CE2-SG 3.39Å
160D89.8Confident92.3Very high33 Ų3340.2 Ų40.218%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-141.4111.4170-168.3-2.4000108.2R175 Q177 C203D160-R175 IonicContact OD1-CZ 2.84Å; D160-R175 IonicContact OD1-NE 3.81Å; D160-R175 PolarHBondContact OD1-NE 3.25Å; D160-R175 IonicContact OD1-NH2 2.98Å; D160-R175 PolarHBondContact OD1-NH2 3.28Å; D160-R175 IonicContact OD2-CZ 3.94Å; D160-R175 IonicContact OD2-NH2 3.85Å; D160-R175 PolarHBondContact OD2-NH2 3.13Å; D160-Q177 HydrophobicContact CB-CG 4.16Å; D160-Q177 WeakPolarHBondContact OD1-CG 3.45Å; D160-Q177 PolarHBondContact OD1-NE2 3.2Å; D160-Q177 PolarHBondContact OD2-NE2 3.09Å; D160-C203 WeakPolarHBondContact O-CB 3.36Å
161G90.4Very high92.2Very high1 Ų143.5 Ų43.51%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-157.6164.8-175.200000113.4V176 N202G161-V176 PolarHBondContact N-O 3.43Å; G161-V176 PolarHBondContact O-N 2.96Å; G161-N202 CarbonylContact C-O 3.22Å; G161-N202 WeakPolarHBondContact CA-O 3.24Å
162L89.9Confident92Very high3 Ų344.2 Ų44.22%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-108.3125.4176.6-169.972.2000110N173 R175 E201 N202 F208 M237L162-N173 HydrophobicContact CD1-CB 4Å; L162-N173 HydrophobicContact CD2-CB 4.24Å; L162-N173 HydrophobicContact CG-CB 4.32Å; L162-R175 HydrophobicContact CD1-CB 4.39Å; L162-E201 WeakPolarHBondContact O-CA 3.39Å; L162-N202 PolarHBondContact N-O 3.39Å; L162-N202 PolarHBondContact O-N 2.77Å; L162-F208 HydrophobicContact CB-CD2 4.13Å; L162-F208 HydrophobicContact CB-CE2 4.02Å; L162-F208 HydrophobicContact CB-CZ 4.4Å; L162-F208 HydrophobicContact CD2-CB 4.24Å; L162-F208 HydrophobicContact CD2-CD1 3.28Å; L162-F208 HydrophobicContact CD2-CD2 3.82Å; L162-F208 HydrophobicContact CD2-CE1 3.4Å; L162-F208 HydrophobicContact CD2-CE2 3.93Å; L162-F208 HydrophobicContact CD2-CG 3.48Å; L162-F208 VanDerWaalsContact CD2-CG 3.48Å; L162-F208 HydrophobicContact CD2-CZ 3.72Å; L162-M237 HydrophobicContact CD1-CE 3.81Å; L162-M237 HydrophobicContact CD1-SD 3.28Å; L162-M237 WeakPolarHBondContact CD1-SD 3.39Å
163L92.8Very high91.8Very high0 Ų044.2 Ų44.20%026%0.262CS..EExtended strand (participates in β ladder)trans-97123.6168.9-58.9-174.7000109.8I62 L165 N173 L174 V176 L187 L188 M199 T200 E201I62-L163 HydrophobicContact CD1-CD1 3.76Å; L163-L165 HydrophobicContact CB-CD1 4.31Å; L163-N173 CarbonylContact O-C 3.58Å; L163-N173 WeakPolarHBondContact O-CA 3.42Å; L163-L174 HydrophobicContact CB-CB 4.38Å; L163-L174 PolarHBondContact N-O 2.83Å; L163-L174 PolarHBondContact O-N 2.96Å; L163-V176 HydrophobicContact CD1-CG2 3.88Å; L163-V176 HydrophobicContact CG-CG2 3.98Å; L163-L187 HydrophobicContact CD1-CD2 3.86Å; L163-L187 HydrophobicContact CD2-CD2 4.2Å; L163-L187 HydrophobicContact CG-CD2 4.28Å; L163-L188 HydrophobicContact CD1-CD2 4.33Å; L163-L188 HydrophobicContact CD2-CD1 4.24Å; L163-L188 HydrophobicContact CD2-CD2 3.95Å; L163-L188 HydrophobicContact CD2-CG 3.99Å; L163-M199 HydrophobicContact CD1-CE 4.44Å; L163-T200 WeakPolarHBondContact CA-O 3.36Å; L163-E201 HydrophobicContact CD2-CB 3.61Å
164R91.6Very high91.8Very high86 Ų8637.1 Ų37.133%0.32523%0.231SC..EExtended strand (participates in β ladder)trans-102116.4175-179.6-172.9-174.1145.914.4109R166 M199 T200 E239R164-R166 HydrophobicContact CG-CG 4.11Å; R164-R166 VanDerWaalsContact NE-CZ 3.3Å; R164-M199 VanDerWaalsContact O-CA 3.31Å; R164-M199 WeakPolarHBondContact O-CA 3.45Å; R164-T200 WeakPolarHBondContact CB-OG1 3.47Å; R164-T200 PolarHBondContact N-O 3.34Å; R164-T200 PolarHBondContact O-N 2.83Å; R164-E239 IonicContact CZ-OE1 3.54Å; R164-E239 IonicContact CZ-OE2 2.66Å; R164-E239 IonicContact NE-OE1 3.79Å; R164-E239 IonicContact NE-OE2 3.5Å; R164-E239 IonicContact NH1-OE1 3.42Å; R164-E239 IonicContact NH1-OE2 3Å; R164-E239 PolarHBondContact NH1-OE2 3.28Å; R164-E239 IonicContact NH2-OE1 3.98Å; R164-E239 PolarHBondContact NH2-OE1 3.35Å; R164-E239 IonicContact NH2-OE2 3.34Å; R164-E239 PolarHBondContact NH2-OE2 2.03Å
165L94.4Very high91.9Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-108.7125.1-179-54.692.3000110.6V71 L163 I170 S172 L174 V197 G198 M199V71-L165 HydrophobicContact CB-CD2 4.5Å; V71-L165 HydrophobicContact CG1-CD2 4.13Å; V71-L165 HydrophobicContact CG2-CD2 3.8Å; L163-L165 HydrophobicContact CB-CD1 4.31Å; L165-I170 HydrophobicContact CB-CG2 3.79Å; L165-S172 PolarHBondContact N-O 2.8Å; L165-S172 PolarHBondContact O-N 3.14Å; L165-S172 VanDerWaalsContact O-N 3.11Å; L165-L174 HydrophobicContact CD1-CB 4.02Å; L165-V197 HydrophobicContact CB-CG1 4.05Å; L165-V197 HydrophobicContact CD2-CG1 4.41Å; L165-G198 WeakPolarHBondContact CA-O 3.34Å; L165-M199 HydrophobicContact CD2-CE 3.94Å; L165-M199 HydrophobicContact CG-CE 4.27Å; L165-M199 HydrophobicContact CG-CG 4.49Å
166R94.6Very high92Very high43 Ų4335 Ų3516%0.16220%0.203CC..EExtended strand (participates in β ladder)trans-140.8134.3-174.8-61.8-67.6179-80.15.3110.6R164 I170 S172 N173 V197 G198 E239R164-R166 HydrophobicContact CG-CG 4.11Å; R164-R166 VanDerWaalsContact NE-CZ 3.3Å; R166-I170 CarbonylContact C-O 3.56Å; R166-I170 WeakPolarHBondContact CA-O 3.43Å; R166-S172 VanDerWaalsContact NH1-C 3.31Å; R166-S172 PolarHBondContact NH1-O 2.98Å; R166-N173 PolarHBondContact NH1-OD1 2.83Å; R166-N173 PolarHBondContact NH2-OD1 2.74Å; R166-V197 CarbonylContact O-C 3.57Å; R166-G198 PolarHBondContact N-O 3.12Å; R166-G198 WeakPolarHBondContact O-CA 3.26Å; R166-G198 PolarHBondContact O-N 2.78Å; R166-E239 IonicContact CZ-OE1 2.78Å; R166-E239 IonicContact NH2-OE1 3.2Å; R166-E239 PolarHBondContact NH2-OE1 3.15Å
167G95.8Very high92.1Very high32 Ų3232.1 Ų32.133%0.3318%0.184SC..EExtended strand (participates in β ladder)trans109.7166.5175.900000113.1G169 I170 P196G167-G169 PolarHBondContact O-N 3.07Å; G167-G169 VanDerWaalsContact O-N 3.14Å; G167-I170 PolarHBondContact N-O 3.1Å; G167-I170 WeakPolarHBondContact O-CA 3.38Å; G167-I170 VanDerWaalsContact O-CB 3.32Å; G167-I170 WeakPolarHBondContact O-CB 3.33Å; G167-I170 PolarHBondContact O-N 2.7Å; G167-P196 CarbonylContact C-O 3.44Å; G167-P196 WeakPolarHBondContact CA-O 3.25Å
168G92Very high92.1Very high30 Ų3028.7 Ų28.731%0.30917%0.168SC..THydrogen-bonded Turntrans58.627.6-177.800000114.6T28 S73 I170 P196T28-G168 VanDerWaalsContact CG2-O 3.3Å; T28-G168 WeakPolarHBondContact CG2-O 3.4Å; S73-G168 WeakPolarHBondContact OG-CA 3.32Å; S73-G168 PolarHBondContact OG-O 2.82Å; G168-I170 VanDerWaalsContact C-N 3.26Å; G168-I170 PolarHBondContact O-N 2.8Å; G168-P196 PolarHBondContact N-O 3.04Å; G168-P196 VanDerWaalsContact N-O 3.14Å
169G92.8Very high92.2Very high64 Ų6426.2 Ų26.266%0.6615%0.151SC*.THydrogen-bonded Turntrans78.51.6-172.500000115G167G167-G169 PolarHBondContact O-N 3.07Å; G167-G169 VanDerWaalsContact O-N 3.14Å
170I94.3Very high92.1Very high7 Ų726 Ų264%0.03615%0.151CC..EExtended strand (participates in β ladder)trans-92.2130.2173.9-55.8-61000109.8T28 V71 L165 R166 G167 G168 V197T28-I170 HydrophobicContact CG2-CD1 3.95Å; V71-I170 HydrophobicContact CG1-CD1 4.21Å; V71-I170 HydrophobicContact CG1-CG1 4.12Å; V71-I170 HydrophobicContact CG1-CG2 4.45Å; L165-I170 HydrophobicContact CB-CG2 3.79Å; R166-I170 CarbonylContact C-O 3.56Å; R166-I170 WeakPolarHBondContact CA-O 3.43Å; G167-I170 PolarHBondContact N-O 3.1Å; G167-I170 WeakPolarHBondContact O-CA 3.38Å; G167-I170 VanDerWaalsContact O-CB 3.32Å; G167-I170 WeakPolarHBondContact O-CB 3.33Å; G167-I170 PolarHBondContact O-N 2.7Å; G168-I170 VanDerWaalsContact C-N 3.26Å; G168-I170 PolarHBondContact O-N 2.8Å; I170-V197 HydrophobicContact CB-CG1 4.47Å; I170-V197 HydrophobicContact CB-CG2 4.44Å; I170-V197 HydrophobicContact CG1-CG2 4.08Å
171F90.5Very high92.1Very high152 Ų15227.1 Ų27.167%0.66716%0.16SC*.EExtended strand (participates in β ladder)trans-146.295.4172.7-171.5-84.8000109.2
172S88.9Confident91.9Very high15 Ų1531.9 Ų31.911%0.10518%0.182CC..EExtended strand (participates in β ladder)trans-159.4156.9-169.6640000113.1Q30 L165 R166Q30-S172 PolarHBondContact NE2-OG 3.26Å; Q30-S172 PolarHBondContact OE1-OG 2.86Å; L165-S172 PolarHBondContact N-O 2.8Å; L165-S172 PolarHBondContact O-N 3.14Å; L165-S172 VanDerWaalsContact O-N 3.11Å; R166-S172 VanDerWaalsContact NH1-C 3.31Å; R166-S172 PolarHBondContact NH1-O 2.98Å
173N89Confident91.6Very high17 Ų1736.2 Ų36.29%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-111.5144.4166.7-58.6-25.8000108.7M139 L162 L163 R166 M237M139-N173 WeakPolarHBondContact CA-O 3.22Å; L162-N173 HydrophobicContact CD1-CB 4Å; L162-N173 HydrophobicContact CD2-CB 4.24Å; L162-N173 HydrophobicContact CG-CB 4.32Å; L163-N173 CarbonylContact O-C 3.58Å; L163-N173 WeakPolarHBondContact O-CA 3.42Å; R166-N173 PolarHBondContact NH1-OD1 2.83Å; R166-N173 PolarHBondContact NH2-OD1 2.74Å; N173-M237 HydrophobicContact CB-CB 4.45Å; N173-M237 HydrophobicContact CB-CE 3.84Å; N173-M237 WeakPolarHBondContact O-CE 3Å
174L92.1Very high91.2Very high0 Ų040 Ų400%023%0.233CC..EExtended strand (participates in β ladder)trans-129.3112.3178.1178.272.3000108.6V32 I62 S69 L137 S138 M139 L163 L165 V176V32-L174 HydrophobicContact CG2-CD1 4.08Å; I62-L174 HydrophobicContact CD1-CD2 3.64Å; S69-L174 WeakPolarHBondContact OG-CD2 3.28Å; L137-L174 HydrophobicContact CB-CD1 4.48Å; L137-L174 HydrophobicContact CD2-CD2 4.49Å; S138-L174 CarbonylContact O-C 3.54Å; M139-L174 HydrophobicContact CG-CD1 4.27Å; L163-L174 HydrophobicContact CB-CB 4.38Å; L163-L174 PolarHBondContact N-O 2.83Å; L163-L174 PolarHBondContact O-N 2.96Å; L165-L174 HydrophobicContact CD1-CB 4.02Å; L174-V176 HydrophobicContact CD2-CG2 3.92Å; L174-V176 HydrophobicContact CG-CG2 3.89Å
175R90.4Very high91.1Very high32 Ų3238.3 Ų38.312%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-73.1133.1169.8-169.465178.2-136.9-6.6108.4L137 S138 C142 D160 L162 M205 M237L137-R175 WeakPolarHBondContact CA-O 3.11Å; S138-R175 PolarHBondContact N-O 3.04Å; S138-R175 PolarHBondContact O-N 2.79Å; C142-R175 HydrophobicContact CB-CG 4.2Å; C142-R175 WeakPolarHBondContact SG-CG 3.36Å; D160-R175 IonicContact OD1-CZ 2.84Å; D160-R175 IonicContact OD1-NE 3.81Å; D160-R175 PolarHBondContact OD1-NE 3.25Å; D160-R175 IonicContact OD1-NH2 2.98Å; D160-R175 PolarHBondContact OD1-NH2 3.28Å; D160-R175 IonicContact OD2-CZ 3.94Å; D160-R175 IonicContact OD2-NH2 3.85Å; D160-R175 PolarHBondContact OD2-NH2 3.13Å; L162-R175 HydrophobicContact CD1-CB 4.39Å; R175-M205 PolarHBondContact NH2-SD 2.9Å; R175-M237 HydrophobicContact CB-CE 4.25Å; R175-M237 HydrophobicContact CB-SD 3.85Å
176V93.3Very high90.9Very high0 Ų040.3 Ų40.30%025%0.245CC..EExtended strand (participates in β ladder)trans-131.3117.4-178.5-177.60000108.7L95 C136 L137 Y159 G161 L163 L174 L187L95-V176 HydrophobicContact CD1-CG1 4.15Å; L95-V176 HydrophobicContact CD2-CG1 3.7Å; C136-V176 CarbonylContact O-C 3.42Å; C136-V176 WeakPolarHBondContact O-CA 3.34Å; L137-V176 HydrophobicContact CD2-CB 4.05Å; L137-V176 HydrophobicContact CD2-CG1 3.74Å; L137-V176 HydrophobicContact CD2-CG2 3.69Å; Y159-V176 HydrophobicContact CD1-CB 4.44Å; Y159-V176 HydrophobicContact CD1-CG1 4.13Å; Y159-V176 WeakPolarHBondContact CD1-O 3.38Å; Y159-V176 HydrophobicContact CE1-CB 3.94Å; Y159-V176 HydrophobicContact CE1-CG1 4Å; Y159-V176 WeakPolarHBondContact CE1-O 3.35Å; G161-V176 PolarHBondContact N-O 3.43Å; G161-V176 PolarHBondContact O-N 2.96Å; L163-V176 HydrophobicContact CD1-CG2 3.88Å; L163-V176 HydrophobicContact CG-CG2 3.98Å; L174-V176 HydrophobicContact CD2-CG2 3.92Å; L174-V176 HydrophobicContact CG-CG2 3.89Å; V176-L187 HydrophobicContact CB-CD2 4.18Å; V176-L187 HydrophobicContact CG1-CD2 3.73Å; V176-L187 HydrophobicContact CG2-CD2 4.36Å
177Q93Very high90.8Very high20 Ų2038.2 Ų38.29%0.09324%0.237CC..EExtended strand (participates in β ladder)trans-119.4140168-68.3174.7-33.500109.1S64 P134 V135 C136 Y159 D160S64-Q177 PolarHBondContact OG-O 2.95Å; P134-Q177 HydrophobicContact CB-CB 4.49Å; P134-Q177 HydrophobicContact CG-CB 4.49Å; P134-Q177 CarbonylContact O-C 3.54Å; V135-Q177 WeakPolarHBondContact CA-O 3.42Å; C136-Q177 HydrophobicContact CB-CB 4Å; C136-Q177 HydrophobicContact CB-CG 4.39Å; C136-Q177 PolarHBondContact N-O 3.43Å; C136-Q177 PolarHBondContact O-N 2.91Å; Y159-Q177 VanDerWaalsContact O-CA 3.26Å; Y159-Q177 WeakPolarHBondContact O-CA 3.48Å; D160-Q177 HydrophobicContact CB-CG 4.16Å; D160-Q177 WeakPolarHBondContact OD1-CG 3.45Å; D160-Q177 PolarHBondContact OD1-NE2 3.2Å; D160-Q177 PolarHBondContact OD2-NE2 3.09Å
178G93.6Very high90.6Very high0 Ų036.9 Ų36.90%022%0.222CC..EExtended strand (participates in β ladder)trans172.6-171175.700000114P134 C158 Y159P134-G178 WeakPolarHBondContact O-CA 3.21Å; P134-G178 PolarHBondContact O-N 2.97Å; C158-G178 WeakPolarHBondContact CA-O 3.26Å; Y159-G178 PolarHBondContact N-O 2.77Å; Y159-G178 PolarHBondContact O-N 2.87Å
179C93.4Very high90.5Very high7 Ų740.1 Ų40.15%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-85.4138.2-175.5-52.40000112.2L95 C151 T155L95-C179 PolarHBondContact N-O 3.13Å; L95-C179 VanDerWaalsContact N-O 3.1Å; C151-C179 WeakPolarHBondContact CA-SG 3.49Å; C151-C179 HydrophobicContact CB-CB 3.55Å; C151-C179 WeakPolarHBondContact CB-SG 3.21Å; C151-C179 WeakPolarHBondContact SG-CB 3.35Å; C151-C179 CovalentContact SG-SG 2.03Å; C151-C179 PolarHBondContact SG-SG 3.19Å; T155-C179 HydrophobicContact CG2-CB 3.9Å
180M92.4Very high90.3Very high3 Ų339.8 Ų39.82%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-137.4145.4-178.8-109.3-104.8-80.600112.7R90 L95 T156 H157 Y159 Q182 V184R90-M180 PolarHBondContact NH1-SD 2.82Å; L95-M180 HydrophobicContact CD1-CG 4.06Å; T156-M180 PolarHBondContact N-O 2.96Å; T156-M180 VanDerWaalsContact N-O 3.07Å; H157-M180 PolarHBondContact N-O 2.87Å; H157-M180 VanDerWaalsContact N-O 3.11Å; H157-M180 PolarHBondContact O-N 3.11Å; H157-M180 VanDerWaalsContact O-O 3.13Å; Y159-M180 HydrophobicContact CD2-CE 3.74Å; Y159-M180 HydrophobicContact CD2-CG 4.45Å; Y159-M180 HydrophobicContact CE2-CE 4.46Å; Y159-M180 HydrophobicContact CG-CG 4.38Å; M180-Q182 VanDerWaalsContact C-N 3.27Å; M180-Q182 PolarHBondContact O-N 3.18Å; M180-V184 WeakPolarHBondContact CE-O 3Å
181P89.4Confident90.3Very high57 Ų5740.7 Ų40.737%0.3724%0.235SC..SBendtrans-75.4-12.8178.930-35.9000113.9T156T156-P181 PolarHBondContact OG1-O 3.07Å
182Q86.4Confident90.5Very high102 Ų10240.6 Ų40.648%0.47724%0.237SC..SBendtrans-138.7150.8-174.3-62.6179.413.500110.9M180 V184M180-Q182 VanDerWaalsContact C-N 3.27Å; M180-Q182 PolarHBondContact O-N 3.18Å; Q182-V184 PolarHBondContact O-N 3.46Å
183P82.8Confident90.8Very high94 Ų9447.1 Ų47.161%0.6127%0.266SS*.SBendtrans-77.16.1-179.428.4-31000114.4H157H157-P183 WeakPolarHBondContact ND1-CD 3.49Å
184V85.1Confident91.2Very high78 Ų7846.6 Ų46.647%0.47326%0.262SS..SBendtrans-93.4140.7-169.2-171.80000110.2M180 Q182 N186M180-V184 WeakPolarHBondContact CE-O 3Å; Q182-V184 PolarHBondContact O-N 3.46Å; V184-N186 VanDerWaalsContact C-N 3.29Å; V184-N186 HydrophobicContact CB-CB 4.34Å; V184-N186 HydrophobicContact CG1-CB 4.03Å; V184-N186 PolarHBondContact O-N 3.1Å
185C89.2Confident91.4Very high52 Ų5248.1 Ų48.135%0.35128%0.279SS..SBendtrans-68.987.8166.3-168.30000109.4C203C185-C203 VanDerWaalsContact CA-SG 3.54Å; C185-C203 HydrophobicContact CB-CB 3.6Å; C185-C203 WeakPolarHBondContact CB-SG 3.26Å; C185-C203 WeakPolarHBondContact SG-CB 3.05Å; C185-C203 PolarHBondContact SG-N 3Å; C185-C203 CovalentContact SG-SG 2.03Å; C185-C203 PolarHBondContact SG-SG 2.75Å
186N89.9Confident91.7Very high41 Ų4148.8 Ų48.822%0.21929%0.287CS..  trans-151.330.8-173.9-170.533.8000112R90 V184 L188 N189 G190 E201R90-N186 PolarHBondContact NH2-O 2.92Å; V184-N186 VanDerWaalsContact C-N 3.29Å; V184-N186 HydrophobicContact CB-CB 4.34Å; V184-N186 HydrophobicContact CG1-CB 4.03Å; V184-N186 PolarHBondContact O-N 3.1Å; N186-L188 PolarHBondContact O-N 2.96Å; N186-N189 PolarHBondContact ND2-OD1 2.75Å; N186-N189 PolarHBondContact O-N 3.48Å; N186-N189 WeakPolarHBondContact OD1-CA 3.38Å; N186-N189 PolarHBondContact OD1-N 3.05Å; N186-G190 PolarHBondContact OD1-N 2.79Å; N186-E201 VanDerWaalsContact C-OE2 3.31Å; N186-E201 VanDerWaalsContact CA-OE1 3.28Å; N186-E201 WeakPolarHBondContact CA-OE1 3.46Å
187L91.9Very high91.9Very high0 Ų048.8 Ų48.80%029%0.287CS..THydrogen-bonded Turntrans-50.9-43.1178.717255.2000111.1R90 L95 Y159 L163 V176 N189 E201R90-L187 PolarHBondContact NE-O 2.65Å; L95-L187 HydrophobicContact CB-CD1 3.99Å; L95-L187 HydrophobicContact CD1-CD1 4.18Å; L95-L187 HydrophobicContact CD1-CD2 4.46Å; Y159-L187 HydrophobicContact CD1-CD2 4.37Å; Y159-L187 HydrophobicContact CD2-CB 4.32Å; Y159-L187 HydrophobicContact CE1-CB 4.2Å; Y159-L187 HydrophobicContact CE1-CD2 3.69Å; Y159-L187 HydrophobicContact CE2-CB 3.59Å; L163-L187 HydrophobicContact CD1-CD2 3.86Å; L163-L187 HydrophobicContact CD2-CD2 4.2Å; L163-L187 HydrophobicContact CG-CD2 4.28Å; V176-L187 HydrophobicContact CB-CD2 4.18Å; V176-L187 HydrophobicContact CG1-CD2 3.73Å; V176-L187 HydrophobicContact CG2-CD2 4.36Å; L187-N189 PolarHBondContact O-N 2.79Å; L187-E201 WeakPolarHBondContact CA-OE2 3.22Å; L187-E201 WeakPolarHBondContact CB-OE2 3.32Å; L187-E201 PolarHBondContact N-OE2 2.88Å
188L92.4Very high92.1Very high3 Ų348.9 Ų48.92%0.01629%0.293CS..THydrogen-bonded Turntrans-71.8-13179.9-60.2179.6000114.1L97 L163 N186 G190 T191 M199 E201L97-L188 HydrophobicContact CD2-CD2 3.83Å; L163-L188 HydrophobicContact CD1-CD2 4.33Å; L163-L188 HydrophobicContact CD2-CD1 4.24Å; L163-L188 HydrophobicContact CD2-CD2 3.95Å; L163-L188 HydrophobicContact CD2-CG 3.99Å; N186-L188 PolarHBondContact O-N 2.96Å; L188-G190 PolarHBondContact O-N 3.18Å; L188-T191 WeakPolarHBondContact CB-O 2.96Å; L188-T191 WeakPolarHBondContact O-CB 3.41Å; L188-T191 PolarHBondContact O-N 2.78Å; L188-T191 PolarHBondContact O-OG1 3.41Å; L188-M199 HydrophobicContact CD1-CB 3.98Å; L188-M199 HydrophobicContact CD2-CB 4.39Å; L188-M199 HydrophobicContact CD2-CE 3.79Å; L188-M199 HydrophobicContact CD2-SD 4.43Å; L188-E201 HydrophobicContact CD1-CB 3.78Å; L188-E201 HydrophobicContact CD1-CG 4.04Å; L188-E201 HydrophobicContact CG-CB 4.05Å; L188-E201 HydrophobicContact CG-CG 4.25Å; L188-E201 PolarHBondContact N-OE2 3.05Å
189N89.3Confident92.1Very high98 Ų9849 Ų4952%0.52429%0.294SS..THydrogen-bonded Turntrans52.741.4-179-162.624.7000112.9H89 N186 L187 T191H89-N189 WeakPolarHBondContact O-CB 3.45Å; H89-N189 PolarHBondContact O-ND2 2.84Å; N186-N189 PolarHBondContact ND2-OD1 2.75Å; N186-N189 PolarHBondContact O-N 3.48Å; N186-N189 WeakPolarHBondContact OD1-CA 3.38Å; N186-N189 PolarHBondContact OD1-N 3.05Å; L187-N189 PolarHBondContact O-N 2.79Å; N189-T191 VanDerWaalsContact C-N 3.25Å; N189-T191 PolarHBondContact O-N 2.84Å
190G89Confident92.1Very high58 Ų5852.6 Ų52.660%0.59832%0.316SS*.THydrogen-bonded Turntrans76.40.7-175.200000115.7N186 L188 Q192N186-G190 PolarHBondContact OD1-N 2.79Å; L188-G190 PolarHBondContact O-N 3.18Å; G190-Q192 PolarHBondContact O-N 2.02Å
191T93.6Very high92Very high26 Ų2654.7 Ų54.716%0.1633%0.325CS..  trans-68.7118.4174.2-52.80000110H89 L188 N189 I194H89-T191 WeakPolarHBondContact ND1-CG2 3.37Å; H89-T191 PolarHBondContact ND1-OG1 3.28Å; L188-T191 WeakPolarHBondContact CB-O 2.96Å; L188-T191 WeakPolarHBondContact O-CB 3.41Å; L188-T191 PolarHBondContact O-N 2.78Å; L188-T191 PolarHBondContact O-OG1 3.41Å; N189-T191 VanDerWaalsContact C-N 3.25Å; N189-T191 PolarHBondContact O-N 2.84Å; T191-I194 HydrophobicContact CG2-CD1 3.99Å; T191-I194 HydrophobicContact CG2-CG1 3.57Å
192Q94.6Very high92Very high150 Ų15054 Ų5470%0.70132%0.319SS*.  trans-105.3-23.4178.9-66.2179.5-2.200113G190 G198 M199G190-Q192 PolarHBondContact O-N 2.02Å; Q192-G198 CarbonylContact O-C 3.5Å; Q192-G198 WeakPolarHBondContact O-CA 3.47Å; Q192-M199 PolarHBondContact O-N 2.86Å
193E96Very high92.1Very high152 Ų15251 Ų5171%0.7131%0.308SS*.EExtended strand (participates in β ladder)trans-144.3139.9-178.3-64.5-175.7167.400109.9V197E193-V197 WeakPolarHBondContact CA-O 3.43Å
194I97.2Very high92.2Very high5 Ų550.2 Ų50.23%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-133.5112.6170.6-58.6174.8000106.6T58 M60 H89 L97 T101 T191 V197 M199T58-I194 HydrophobicContact CG2-CG2 4.04Å; T58-I194 WeakPolarHBondContact CG2-O 3.13Å; M60-I194 HydrophobicContact CE-CB 3.48Å; M60-I194 VanDerWaalsContact CE-CB 3.48Å; M60-I194 HydrophobicContact CE-CD1 4.35Å; M60-I194 HydrophobicContact CE-CG1 4.43Å; M60-I194 HydrophobicContact CE-CG2 3.67Å; M60-I194 WeakPolarHBondContact CE-O 3.02Å; M60-I194 HydrophobicContact CG-CD1 4.28Å; M60-I194 HydrophobicContact CG-CG2 4.11Å; M60-I194 HydrophobicContact SD-CB 4.14Å; M60-I194 HydrophobicContact SD-CD1 3.84Å; M60-I194 HydrophobicContact SD-CG2 4.27Å; H89-I194 WeakPolarHBondContact NE2-CD1 3.48Å; L97-I194 HydrophobicContact CD2-CD1 4.48Å; T101-I194 HydrophobicContact CG2-CG2 3.99Å; T191-I194 HydrophobicContact CG2-CD1 3.99Å; T191-I194 HydrophobicContact CG2-CG1 3.57Å; I194-V197 PolarHBondContact N-O 2.82Å; I194-V197 PolarHBondContact O-N 2.61Å; I194-V197 VanDerWaalsContact O-N 3.13Å; I194-M199 HydrophobicContact CD1-SD 3.73Å; I194-M199 HydrophobicContact CG1-SD 4.21Å
195G96.2Very high91.4Very high33 Ų3351.7 Ų51.734%0.3430%0.302SS..THydrogen-bonded Turntrans58.7-128.8-172.700000111.6T58 V197T58-G195 WeakPolarHBondContact OG1-CA 3.01Å; G195-V197 VanDerWaalsContact C-N 3.29Å
196P96.6Very high90.5Very high46 Ų4658.2 Ų58.230%0.29933%0.325SS..THydrogen-bonded Turntrans-88.95.5179.238.7-32.8000112.9Q56 T58 S73 G167 G168Q56-P196 VanDerWaalsContact NE2-CD 3.27Å; T58-P196 VanDerWaalsContact OG1-CD 3.23Å; T58-P196 WeakPolarHBondContact OG1-CD 3.28Å; S73-P196 WeakPolarHBondContact OG-CG 3.49Å; G167-P196 CarbonylContact C-O 3.44Å; G167-P196 WeakPolarHBondContact CA-O 3.25Å; G168-P196 PolarHBondContact N-O 3.04Å; G168-P196 VanDerWaalsContact N-O 3.14Å
197V97.9Very high89.8Confident0 Ų059 Ų590%033%0.329CS..EExtended strand (participates in β ladder)trans-108.3111.9-173-176.70000109.3M60 L165 R166 I170 E193 I194 G195 M199M60-V197 HydrophobicContact CE-CB 3.6Å; M60-V197 HydrophobicContact CE-CG1 3.97Å; M60-V197 HydrophobicContact CE-CG2 4Å; L165-V197 HydrophobicContact CB-CG1 4.05Å; L165-V197 HydrophobicContact CD2-CG1 4.41Å; R166-V197 CarbonylContact O-C 3.57Å; I170-V197 HydrophobicContact CB-CG1 4.47Å; I170-V197 HydrophobicContact CB-CG2 4.44Å; I170-V197 HydrophobicContact CG1-CG2 4.08Å; E193-V197 WeakPolarHBondContact CA-O 3.43Å; I194-V197 PolarHBondContact N-O 2.82Å; I194-V197 PolarHBondContact O-N 2.61Å; I194-V197 VanDerWaalsContact O-N 3.13Å; G195-V197 VanDerWaalsContact C-N 3.29Å; V197-M199 HydrophobicContact CG1-CG 4.42Å
198G96.8Very high89Confident21 Ų2160.4 Ų60.422%0.21634%0.335CS..EExtended strand (participates in β ladder)trans-76.4143.3167.800000111.6L165 R166 Q192L165-G198 WeakPolarHBondContact CA-O 3.34Å; R166-G198 PolarHBondContact N-O 3.12Å; R166-G198 WeakPolarHBondContact O-CA 3.26Å; R166-G198 PolarHBondContact O-N 2.78Å; Q192-G198 CarbonylContact O-C 3.5Å; Q192-G198 WeakPolarHBondContact O-CA 3.47Å
199M94.4Very high88.7Confident3 Ų361 Ų612%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-133.8133.7-175.2-59.8-178.776.800109.9M60 I62 L163 R164 L165 L188 Q192 I194 V197M60-M199 HydrophobicContact CE-SD 4.33Å; M60-M199 HydrophobicContact SD-CE 4.24Å; M60-M199 HydrophobicContact SD-SD 3.66Å; M60-M199 VanDerWaalsContact SD-SD 3.66Å; I62-M199 HydrophobicContact CD1-CE 4.38Å; L163-M199 HydrophobicContact CD1-CE 4.44Å; R164-M199 VanDerWaalsContact O-CA 3.31Å; R164-M199 WeakPolarHBondContact O-CA 3.45Å; L165-M199 HydrophobicContact CD2-CE 3.94Å; L165-M199 HydrophobicContact CG-CE 4.27Å; L165-M199 HydrophobicContact CG-CG 4.49Å; L188-M199 HydrophobicContact CD1-CB 3.98Å; L188-M199 HydrophobicContact CD2-CB 4.39Å; L188-M199 HydrophobicContact CD2-CE 3.79Å; L188-M199 HydrophobicContact CD2-SD 4.43Å; Q192-M199 PolarHBondContact O-N 2.86Å; I194-M199 HydrophobicContact CD1-SD 3.73Å; I194-M199 HydrophobicContact CG1-SD 4.21Å; V197-M199 HydrophobicContact CG1-CG 4.42Å
200T92.3Very high88.6Confident83 Ų8357.5 Ų57.551%0.50932%0.32SS..EExtended strand (participates in β ladder)trans-130.9146.4170.2490000109.2L163 R164L163-T200 WeakPolarHBondContact CA-O 3.36Å; R164-T200 WeakPolarHBondContact CB-OG1 3.47Å; R164-T200 PolarHBondContact N-O 3.34Å; R164-T200 PolarHBondContact O-N 2.83Å
201E91.9Very high88.6Confident46 Ų4654.7 Ų54.722%0.21529%0.292CS..EExtended strand (participates in β ladder)trans-115.8141.117765.9-171.7151.700110.6L162 L163 N186 L187 L188L162-E201 WeakPolarHBondContact O-CA 3.39Å; L163-E201 HydrophobicContact CD2-CB 3.61Å; N186-E201 VanDerWaalsContact C-OE2 3.31Å; N186-E201 VanDerWaalsContact CA-OE1 3.28Å; N186-E201 WeakPolarHBondContact CA-OE1 3.46Å; L187-E201 WeakPolarHBondContact CA-OE2 3.22Å; L187-E201 WeakPolarHBondContact CB-OE2 3.32Å; L187-E201 PolarHBondContact N-OE2 2.88Å; L188-E201 HydrophobicContact CD1-CB 3.78Å; L188-E201 HydrophobicContact CD1-CG 4.04Å; L188-E201 HydrophobicContact CG-CB 4.05Å; L188-E201 HydrophobicContact CG-CG 4.25Å; L188-E201 PolarHBondContact N-OE2 3.05Å
202N88.5Confident88.6Confident43 Ų4355.5 Ų55.523%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-142.7130.9171.2-175.2-1.5000109.5G161 L162 D204 D207 F208G161-N202 CarbonylContact C-O 3.22Å; G161-N202 WeakPolarHBondContact CA-O 3.24Å; L162-N202 PolarHBondContact N-O 3.39Å; L162-N202 PolarHBondContact O-N 2.77Å; N202-D204 PolarHBondContact OD1-N 2.91Å; N202-D207 WeakPolarHBondContact ND2-CB 3.19Å; N202-D207 PolarHBondContact ND2-OD2 3.22Å; N202-F208 HydrophobicContact CB-CE2 3.5Å; N202-F208 VanDerWaalsContact CB-CE2 3.5Å; N202-F208 HydrophobicContact CB-CZ 3.58Å; N202-F208 VanDerWaalsContact CG-CE2 3.43Å; N202-F208 WeakPolarHBondContact ND2-CE2 3.38Å; N202-F208 VanDerWaalsContact ND2-CZ 3.28Å; N202-F208 WeakPolarHBondContact ND2-CZ 3.39Å
203C88.8Confident88.4Confident39 Ų3954.4 Ų54.426%0.26428%0.283SS..  trans-113.15.3-179.6-52.20000113Y159 D160 C185 M205Y159-C203 WeakPolarHBondContact CE2-SG 3.39Å; D160-C203 WeakPolarHBondContact O-CB 3.36Å; C185-C203 VanDerWaalsContact CA-SG 3.54Å; C185-C203 HydrophobicContact CB-CB 3.6Å; C185-C203 WeakPolarHBondContact CB-SG 3.26Å; C185-C203 WeakPolarHBondContact SG-CB 3.05Å; C185-C203 PolarHBondContact SG-N 3Å; C185-C203 CovalentContact SG-SG 2.03Å; C185-C203 PolarHBondContact SG-SG 2.75Å; C203-M205 PolarHBondContact O-N 3.04Å
204D84.8Confident88.3Confident78 Ų7848.1 Ų48.142%0.41726%0.258SS..  trans-78.3103.4167.4-164.7-21000109N202 K206 D207N202-D204 PolarHBondContact OD1-N 2.91Å; D204-K206 PolarHBondContact O-N 3.12Å; D204-K206 VanDerWaalsContact O-N 3.13Å; D204-K206 WeakPolarHBondContact OD1-CB 3.34Å; D204-K206 PolarHBondContact OD1-N 3.15Å; D204-D207 WeakPolarHBondContact O-CB 3.45Å; D204-D207 PolarHBondContact O-N 2.96Å; D204-D207 VanDerWaalsContact O-N 3.09Å
205M68.8Low88.1Confident109 Ų10951.1 Ų51.154%0.53728%0.277SS..G310 helixtrans-62.3-19179.9-66.9-160.2-97.900113.2R175 C203 D207R175-M205 PolarHBondContact NH2-SD 2.9Å; C203-M205 PolarHBondContact O-N 3.04Å; M205-D207 PolarHBondContact O-N 2.9Å
206K69.9Low87.9Confident189 Ų18951 Ų5182%0.82227%0.27SS*.G310 helixtrans-75.1-15.5177.8-62.2177.4-179.8174.50112.9D204 F208D204-K206 PolarHBondContact O-N 3.12Å; D204-K206 VanDerWaalsContact O-N 3.13Å; D204-K206 WeakPolarHBondContact OD1-CB 3.34Å; D204-K206 PolarHBondContact OD1-N 3.15Å; K206-F208 VanDerWaalsContact C-N 3.32Å
207D74.6Confident87.8Confident57 Ų5751.4 Ų51.431%0.30527%0.269SS..G310 helixtrans-82.1-12.7-177.2-73.9-12.7000113N202 D204 M205 V240N202-D207 WeakPolarHBondContact ND2-CB 3.19Å; N202-D207 PolarHBondContact ND2-OD2 3.22Å; D204-D207 WeakPolarHBondContact O-CB 3.45Å; D204-D207 PolarHBondContact O-N 2.96Å; D204-D207 VanDerWaalsContact O-N 3.09Å; M205-D207 PolarHBondContact O-N 2.9Å; D207-V240 HydrophobicContact CB-CG1 4.31Å; D207-V240 HydrophobicContact CB-CG2 4.24Å; D207-V240 WeakPolarHBondContact O-CA 3.23Å
208F76.4Confident87.5Confident30 Ų3053.8 Ų53.813%0.13228%0.281CS..  trans-133.3148.5-175.6-50.3-77.9000111.9L162 N202 K206 V240L162-F208 HydrophobicContact CB-CD2 4.13Å; L162-F208 HydrophobicContact CB-CE2 4.02Å; L162-F208 HydrophobicContact CB-CZ 4.4Å; L162-F208 HydrophobicContact CD2-CB 4.24Å; L162-F208 HydrophobicContact CD2-CD1 3.28Å; L162-F208 HydrophobicContact CD2-CD2 3.82Å; L162-F208 HydrophobicContact CD2-CE1 3.4Å; L162-F208 HydrophobicContact CD2-CE2 3.93Å; L162-F208 HydrophobicContact CD2-CG 3.48Å; L162-F208 VanDerWaalsContact CD2-CG 3.48Å; L162-F208 HydrophobicContact CD2-CZ 3.72Å; N202-F208 HydrophobicContact CB-CE2 3.5Å; N202-F208 VanDerWaalsContact CB-CE2 3.5Å; N202-F208 HydrophobicContact CB-CZ 3.58Å; N202-F208 VanDerWaalsContact CG-CE2 3.43Å; N202-F208 WeakPolarHBondContact ND2-CE2 3.38Å; N202-F208 VanDerWaalsContact ND2-CZ 3.28Å; N202-F208 WeakPolarHBondContact ND2-CZ 3.39Å; K206-F208 VanDerWaalsContact C-N 3.32Å; F208-V240 HydrophobicContact CD1-CG2 4Å; F208-V240 HydrophobicContact CE1-CG2 3.36Å; F208-V240 HydrophobicContact CZ-CG2 3.87Å
209L84.4Confident87.4Confident15 Ų1555.2 Ų55.28%0.07929%0.285CS..  trans-128.2132.4-174.8-172.568.7000108.8M237 C238 C244 S296L209-M237 WeakPolarHBondContact O-CA 3.36Å; L209-C238 HydrophobicContact CB-CB 4.27Å; L209-C238 PolarHBondContact O-N 2.93Å; L209-C244 HydrophobicContact CD2-CB 4.22Å; L209-C244 WeakPolarHBondContact CD2-SG 3.39Å; L209-S296 WeakPolarHBondContact CD1-O 3.28Å
210T87.1Confident87.1Confident24 Ų2460.1 Ų60.115%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-95.3126.3169.8-52.40000108.8E140 E236 D297 L298E140-T210 VanDerWaalsContact O-CG2 3.3Å; E140-T210 WeakPolarHBondContact O-CG2 3.27Å; T210-E236 CarbonylContact C-O 3.5Å; T210-E236 WeakPolarHBondContact CA-O 3.49Å; T210-D297 PolarHBondContact N-OD1 3.41Å; T210-D297 WeakPolarHBondContact O-CA 3.24Å; T210-L298 HydrophobicContact CG2-CD2 3.9Å; T210-L298 PolarHBondContact O-N 2.8Å
211C91Very high86.8Confident0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-120.5150.9-179.6-59.90000111.2T235 E236 C238 C244C211-T235 CarbonylContact O-C 3.49Å; C211-T235 WeakPolarHBondContact O-CA 3.47Å; C211-T235 WeakPolarHBondContact O-CB 3.46Å; C211-E236 PolarHBondContact N-O 2.87Å; C211-E236 PolarHBondContact O-N 2.85Å; C211-C238 PolarHBondContact SG-SG 2.03Å; C211-C244 WeakPolarHBondContact CA-SG 3.49Å; C211-C244 HydrophobicContact CB-CB 3.81Å; C211-C244 WeakPolarHBondContact CB-SG 2.99Å; C211-C244 WeakPolarHBondContact SG-CA 3.49Å; C211-C244 WeakPolarHBondContact SG-CB 3.05Å; C211-C244 CovalentContact SG-SG 2.02Å; C211-C244 PolarHBondContact SG-SG 2.79Å
212H92.1Very high86.5Confident43 Ų4359 Ų5920%0.19931%0.31CS..EExtended strand (participates in β ladder)trans-62.7140.7164.2-71.2-65.8000109.7K263 G264 N300H212-K263 HydrophobicContact CB-CB 4.39Å; H212-K263 HydrophobicContact CB-CD 3.83Å; H212-K263 CarbonylContact O-C 3.45Å; H212-K263 VanDerWaalsContact O-C 3.3Å; H212-K263 WeakPolarHBondContact O-CB 3.48Å; H212-G264 VanDerWaalsContact O-CA 3.3Å; H212-G264 WeakPolarHBondContact O-CA 3.06Å; H212-G264 PolarHBondContact O-N 3.34Å; H212-G264 VanDerWaalsContact O-N 3.12Å; H212-N300 WeakPolarHBondContact CB-OD1 3.27Å; H212-N300 PolarHBondContact CD2-O 2.87Å; H212-N300 PolarHBondContact N-OD1 2.98Å; H212-N300 PolarHBondContact O-ND2 2.8Å
213R91.9Very high86.6Confident127 Ų12757 Ų5748%0.47930%0.3SS..EExtended strand (participates in β ladder)trans-128129.9-178-175.3-174.4-178.9-115.9-2.9111T232 N234 E236 K263R213-T232 VanDerWaalsContact O-CB 3.27Å; R213-T232 WeakPolarHBondContact O-CB 3.3Å; R213-T232 PolarHBondContact O-OG1 2.97Å; R213-N234 PolarHBondContact N-O 3.39Å; R213-E236 HydrophobicContact CB-CB 4.24Å; R213-E236 HydrophobicContact CB-CG 3.93Å; R213-E236 WeakPolarHBondContact CD-OE2 3.44Å; R213-E236 HydrophobicContact CG-CG 4.22Å; R213-E236 IonicContact NE-OE2 2.75Å; R213-E236 PolarHBondContact NE-OE2 2.77Å; R213-K263 WeakPolarHBondContact CA-O 3.41Å
214G92.5Very high86.6Confident19 Ų1955.6 Ų55.620%0.19629%0.291CS..EExtended strand (participates in β ladder)trans165.3176.5166.100000113.3T262 K263G214-T262 CarbonylContact O-C 3.54Å; G214-T262 WeakPolarHBondContact O-CA 3.21Å; G214-K263 PolarHBondContact N-O 2.97Å; G214-K263 PolarHBondContact O-N 2.9Å
215T93.3Very high86.7Confident69 Ų6956.4 Ų56.442%0.42329%0.292SS..EExtended strand (participates in β ladder)trans-134.9153.7178.662.60000110G261 G361 L363T215-G261 CarbonylContact C-O 3.59Å; T215-G261 VanDerWaalsContact CA-O 3.24Å; T215-G261 WeakPolarHBondContact CA-O 3.42Å; T215-G361 WeakPolarHBondContact CG2-O 3.42Å; T215-L363 HydrophobicContact CG2-CB 4.14Å; T215-L363 HydrophobicContact CG2-CD1 4.5Å
216T92.8Very high87.8Confident29 Ų2956.7 Ų56.718%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-142.5144.3173.7-173.60000110.4W230 V260 G261T216-W230 HydrophobicContact CG2-CB 4.22Å; T216-W230 HydrophobicContact CG2-CD2 4.37Å; T216-W230 HydrophobicContact CG2-CE3 3.75Å; T216-W230 HydrophobicContact CG2-CZ3 4.5Å; T216-V260 WeakPolarHBondContact O-CA 3.3Å; T216-G261 PolarHBondContact N-O 3.4Å; T216-G261 PolarHBondContact O-N 3.06Å
217I93.4Very high88.8Confident55 Ų5551 Ų5128%0.28227%0.274SS..EExtended strand (participates in β ladder)trans-133.9119.3165-61169.8000106.8T258 L259 V260 P331 L363 T365I217-T258 HydrophobicContact CG2-CG2 4.09Å; I217-L259 CarbonylContact C-O 3.55Å; I217-L259 WeakPolarHBondContact CA-O 2.92Å; I217-V260 HydrophobicContact CG1-CG1 4.28Å; I217-V260 HydrophobicContact CG1-CG2 4.34Å; I217-V260 HydrophobicContact CG2-CG2 4.49Å; I217-P331 HydrophobicContact CG2-CB 3.76Å; I217-P331 HydrophobicContact CG2-CG 3.75Å; I217-L363 HydrophobicContact CD1-CD1 3.82Å; I217-L363 HydrophobicContact CD1-CD2 4.25Å; I217-L363 HydrophobicContact CD1-CG 4.47Å; I217-L363 HydrophobicContact CG1-CD1 4.25Å; I217-L363 HydrophobicContact CG1-CD2 4.24Å; I217-T365 HydrophobicContact CD1-CG2 4.14Å
218M93Very high89.7Confident51 Ų5149.8 Ų49.825%0.25127%0.27SS..EExtended strand (participates in β ladder)trans-123.1143.3179.3-67.1172.3144.100109.2L223 T228 T258 L259M218-L223 HydrophobicContact CB-CD1 4.1Å; M218-T228 HydrophobicContact CE-CG2 4.09Å; M218-T228 HydrophobicContact SD-CG2 3.71Å; M218-T258 CarbonylContact O-C 3.47Å; M218-T258 WeakPolarHBondContact O-CA 3.49Å; M218-T258 WeakPolarHBondContact O-CG2 3.37Å; M218-L259 PolarHBondContact N-O 3.01Å; M218-L259 PolarHBondContact O-N 2.68Å
219T92.9Very high90.4Very high50 Ų5054 Ų5431%0.30729%0.293SS..EExtended strand (participates in β ladder)trans-139.2112.5176-61.60000109.9S257 T258T219-S257 CarbonylContact C-O 3.59Å; T219-S257 VanDerWaalsContact CA-O 3.25Å; T219-S257 WeakPolarHBondContact CA-O 3.41Å; T219-T258 PolarHBondContact OG1-OG1 2.96Å
220H89.4Confident90.6Very high106 Ų10653.6 Ų53.649%0.49129%0.291SS..EExtended strand (participates in β ladder)trans-148.8169.7-177.5-61.2-67.3000110.4N222 L223 S257H220-N222 VanDerWaalsContact C-N 3.33Å; H220-N222 PolarHBondContact O-N 2.89Å; H220-L223 HydrophobicContact CB-CD1 4.41Å; H220-L223 HydrophobicContact CB-CD2 4.11Å; H220-L223 HydrophobicContact CB-CG 4.03Å; H220-S257 PolarHBondContact N-O 2.87Å; H220-S257 PolarHBondContact O-N 3.05Å; H220-S257 VanDerWaalsContact O-O 3.09Å
221G86.3Confident90.1Very high44 Ų4458 Ų5845%0.45432%0.317SS..THydrogen-bonded Turntrans-75.7-13.8-174.600000115.9
222N85.1Confident89.4Confident61 Ų6159.2 Ų59.233%0.32633%0.325SS..THydrogen-bonded Turntrans-128.212-165.559.7-26.3000114.6H220 A224 Q225 E226H220-N222 VanDerWaalsContact C-N 3.33Å; H220-N222 PolarHBondContact O-N 2.89Å; N222-A224 PolarHBondContact O-N 2.9Å; N222-A224 VanDerWaalsContact O-N 3.16Å; N222-Q225 VanDerWaalsContact C-OE1 3.23Å; N222-Q225 PolarHBondContact O-N 2.92Å; N222-Q225 PolarHBondContact O-OE1 3.22Å; N222-E226 PolarHBondContact ND2-OE2 3.2Å; N222-E226 PolarHBondContact O-N 3.13Å
223L90.5Very high88.6Confident3 Ų362.4 Ų62.42%0.01635%0.352CS..THydrogen-bonded Turntrans-69-15.4-173.6-54.9175.8000113.7M218 H220 T228 L250 S257 L259M218-L223 HydrophobicContact CB-CD1 4.1Å; H220-L223 HydrophobicContact CB-CD1 4.41Å; H220-L223 HydrophobicContact CB-CD2 4.11Å; H220-L223 HydrophobicContact CB-CG 4.03Å; L223-T228 HydrophobicContact CD2-CG2 4.34Å; L223-T228 VanDerWaalsContact CD2-OG1 3.24Å; L223-T228 WeakPolarHBondContact CD2-OG1 3.26Å; L223-L250 HydrophobicContact CB-CD1 4.03Å; L223-S257 WeakPolarHBondContact CD1-O 3.09Å; L223-L259 HydrophobicContact CD1-CB 3.89Å
224A88.3Confident88.3Confident9 Ų959.7 Ų59.77%0.07435%0.347CS..THydrogen-bonded Turntrans-88.3-10.6174.500000113.4N222 L250 D252N222-A224 PolarHBondContact O-N 2.9Å; N222-A224 VanDerWaalsContact O-N 3.16Å; A224-L250 HydrophobicContact CB-CD2 3.93Å; A224-D252 HydrophobicContact CB-CB 3.81Å
225Q87.8Confident88.1Confident95 Ų9559.9 Ų59.944%0.44435%0.345SS..THydrogen-bonded Turntrans-114.4-39.3-176.1-60.780.316.700112N222N222-Q225 VanDerWaalsContact C-OE1 3.23Å; N222-Q225 PolarHBondContact O-N 2.92Å; N222-Q225 PolarHBondContact O-OE1 3.22Å
226E90.3Very high87.8Confident114 Ų11459 Ų5953%0.53334%0.336SS..SBendtrans-113.4124.2-176.1-68.7-178.7175.300111.1N222 T228N222-E226 PolarHBondContact ND2-OE2 3.2Å; N222-E226 PolarHBondContact O-N 3.13Å; E226-T228 PolarHBondContact O-N 3.05Å; E226-T228 PolarHBondContact O-OG1 2.75Å
227P92.1Very high87.5Confident69 Ų6958.5 Ų58.545%0.44833%0.332SS..  trans-55133.5171.8-25.534.3000111.3S305 L309P227-S305 WeakPolarHBondContact CA-OG 3.48Å; P227-L309 HydrophobicContact CB-CD1 4.42Å; P227-L309 HydrophobicContact CG-CD1 4.12Å
228T92.8Very high87.1Confident33 Ų3356 Ų5620%0.20232%0.319CS..  trans-117.4133.8178.4-580000108.8M218 L223 E226 S304 S305M218-T228 HydrophobicContact CE-CG2 4.09Å; M218-T228 HydrophobicContact SD-CG2 3.71Å; L223-T228 HydrophobicContact CD2-CG2 4.34Å; L223-T228 VanDerWaalsContact CD2-OG1 3.24Å; L223-T228 WeakPolarHBondContact CD2-OG1 3.26Å; E226-T228 PolarHBondContact O-N 3.05Å; E226-T228 PolarHBondContact O-OG1 2.75Å; T228-S304 WeakPolarHBondContact O-CA 3.45Å; T228-S305 PolarHBondContact N-OG 3Å; T228-S305 PolarHBondContact O-N 2.92Å
229D92.6Very high86.5Confident117 Ų11755.2 Ų55.263%0.62632%0.315SS*.BIsolated β-bridgetrans-71.3139.2177.9-65.7-22.7000111S303D229-S303 CarbonylContact C-O 3.59Å; D229-S303 WeakPolarHBondContact CA-O 3.45Å
230W87.7Confident85.8Confident8 Ų856.3 Ų56.33%0.0332%0.321CS..  trans-147100.5176.274.7-66.1000109.2T216 E246 L248 K263 A302 S303 S304T216-W230 HydrophobicContact CG2-CB 4.22Å; T216-W230 HydrophobicContact CG2-CD2 4.37Å; T216-W230 HydrophobicContact CG2-CE3 3.75Å; T216-W230 HydrophobicContact CG2-CZ3 4.5Å; W230-E246 HydrophobicContact CH2-CB 4.33Å; W230-L248 HydrophobicContact CD2-CD2 3.86Å; W230-L248 HydrophobicContact CE3-CD2 4.11Å; W230-L248 HydrophobicContact CH2-CD2 3.7Å; W230-L248 HydrophobicContact CH2-CG 4.21Å; W230-L248 HydrophobicContact CZ2-CD1 4.01Å; W230-L248 HydrophobicContact CZ2-CD2 3.48Å; W230-L248 VanDerWaalsContact CZ2-CD2 3.48Å; W230-L248 HydrophobicContact CZ2-CG 3.73Å; W230-L248 HydrophobicContact CZ3-CD2 4.01Å; W230-K263 VanDerWaalsContact CD2-NZ 3.32Å; W230-K263 VanDerWaalsContact CE2-NZ 3.27Å; W230-K263 HydrophobicContact CH2-CD 4.02Å; W230-K263 VanDerWaalsContact CH2-CE 3.47Å; W230-K263 HydrophobicContact CH2-CG 3.5Å; W230-K263 VanDerWaalsContact CH2-CG 3.5Å; W230-K263 HydrophobicContact CZ3-CD 4.09Å; W230-K263 HydrophobicContact CZ3-CG 3.59Å; W230-K263 PolarHBondContact O-NZ 2.85Å; W230-A302 HydrophobicContact CZ2-CB 4.18Å; W230-A302 PolarHBondContact NE1-O 2.86Å; W230-S303 PolarHBondContact N-O 3.49Å; W230-S304 VanDerWaalsContact CD1-C 3.45Å; W230-S304 PolarHBondContact NE1-O 2.97Å
231T76.4Confident85.3Confident115 Ų11553.2 Ų53.271%0.70632%0.318SS*.  trans-112.2152.5176.6550000110
232T76.6Confident85.4Confident26 Ų2653.6 Ų53.616%0.1631%0.308CS..  trans-122.8126.4174.558.70000107.2R213 N234 K263R213-T232 VanDerWaalsContact O-CB 3.27Å; R213-T232 WeakPolarHBondContact O-CB 3.3Å; R213-T232 PolarHBondContact O-OG1 2.97Å; T232-N234 VanDerWaalsContact C-N 3.27Å; T232-K263 HydrophobicContact CG2-CD 4.28Å
233S75.3Confident85.7Confident111 Ų11151.1 Ų51.178%0.77630%0.295SS*.  trans-76-18.4179.751.70000113.3
234N84.8Confident85.9Confident69 Ų6951 Ų5137%0.36929%0.294SS..EExtended strand (participates in β ladder)trans-95.1151.5-169-57.6-4.2000110.3R213 T232R213-N234 PolarHBondContact N-O 3.39Å; T232-N234 VanDerWaalsContact C-N 3.27Å
235T88.1Confident86.2Confident23 Ų2350.6 Ų50.614%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-125.5160.7173.651.30000109.6E140 C211 L298E140-T235 WeakPolarHBondContact CB-OG1 3.26Å; E140-T235 PolarHBondContact O-OG1 3.43Å; C211-T235 CarbonylContact O-C 3.49Å; C211-T235 WeakPolarHBondContact O-CA 3.47Å; C211-T235 WeakPolarHBondContact O-CB 3.46Å; T235-L298 HydrophobicContact CG2-CD2 3.61Å
236E87.4Confident86.5Confident52 Ų5246.2 Ų46.224%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-141.5150.3172.465.5-176.3165.200110.9T210 C211 R213 G264 C265T210-E236 CarbonylContact C-O 3.5Å; T210-E236 WeakPolarHBondContact CA-O 3.49Å; C211-E236 PolarHBondContact N-O 2.87Å; C211-E236 PolarHBondContact O-N 2.85Å; R213-E236 HydrophobicContact CB-CB 4.24Å; R213-E236 HydrophobicContact CB-CG 3.93Å; R213-E236 WeakPolarHBondContact CD-OE2 3.44Å; R213-E236 HydrophobicContact CG-CG 4.22Å; R213-E236 IonicContact NE-OE2 2.75Å; R213-E236 PolarHBondContact NE-OE2 2.77Å; E236-G264 VanDerWaalsContact OE1-C 3.28Å; E236-G264 WeakPolarHBondContact OE1-CA 3.49Å; E236-C265 VanDerWaalsContact CG-SG 3.59Å; E236-C265 PolarHBondContact OE1-N 2.86Å
237M86Confident86.7Confident18 Ų1840.8 Ų40.89%0.08925%0.245CC..EExtended strand (participates in β ladder)trans-91.9123.4172.7-66.7-177.9-77.800110.1S138 M139 L162 N173 R175 L209S138-M237 WeakPolarHBondContact O-CE 3.5Å; M139-M237 VanDerWaalsContact C-CE 3.47Å; M139-M237 VanDerWaalsContact O-CE 3.24Å; M139-M237 WeakPolarHBondContact O-CE 3.34Å; L162-M237 HydrophobicContact CD1-CE 3.81Å; L162-M237 HydrophobicContact CD1-SD 3.28Å; L162-M237 WeakPolarHBondContact CD1-SD 3.39Å; N173-M237 HydrophobicContact CB-CB 4.45Å; N173-M237 HydrophobicContact CB-CE 3.84Å; N173-M237 WeakPolarHBondContact O-CE 3Å; R175-M237 HydrophobicContact CB-CE 4.25Å; R175-M237 HydrophobicContact CB-SD 3.85Å; L209-M237 WeakPolarHBondContact O-CA 3.36Å
238C85.6Confident86.9Confident1 Ų137.5 Ų37.51%0.00722%0.224CC..PPolyproline II helixtrans-80.7156.7179.2-54.50000112.7L209 C211 Q242 C265L209-C238 HydrophobicContact CB-CB 4.27Å; L209-C238 PolarHBondContact O-N 2.93Å; C211-C238 PolarHBondContact SG-SG 2.03Å; C238-Q242 HydrophobicContact CB-CB 3.79Å; C238-C265 WeakPolarHBondContact CA-SG 3.42Å; C238-C265 HydrophobicContact CB-CB 3.79Å; C238-C265 WeakPolarHBondContact CB-SG 3.02Å; C238-C265 VanDerWaalsContact SG-CA 3.58Å; C238-C265 WeakPolarHBondContact SG-CB 3.34Å; C238-C265 CovalentContact SG-SG 2.02Å; C238-C265 PolarHBondContact SG-SG 3.32Å
239E80.1Confident87.1Confident36 Ų3636 Ų3617%0.16821%0.214CC..PPolyproline II helixtrans-72.3160.9173.9-65.1-76.8178.900111.3R164 R166 G241 Q242R164-E239 IonicContact CZ-OE1 3.54Å; R164-E239 IonicContact CZ-OE2 2.66Å; R164-E239 IonicContact NE-OE1 3.79Å; R164-E239 IonicContact NE-OE2 3.5Å; R164-E239 IonicContact NH1-OE1 3.42Å; R164-E239 IonicContact NH1-OE2 3Å; R164-E239 PolarHBondContact NH1-OE2 3.28Å; R164-E239 IonicContact NH2-OE1 3.98Å; R164-E239 PolarHBondContact NH2-OE1 3.35Å; R164-E239 IonicContact NH2-OE2 3.34Å; R164-E239 PolarHBondContact NH2-OE2 2.03Å; R166-E239 IonicContact CZ-OE1 2.78Å; R166-E239 IonicContact NH2-OE1 3.2Å; R166-E239 PolarHBondContact NH2-OE1 3.15Å; E239-G241 PolarHBondContact O-N 3.28Å; E239-Q242 HydrophobicContact CB-CG 3.98Å; E239-Q242 VanDerWaalsContact O-CB 3.22Å; E239-Q242 WeakPolarHBondContact O-CB 3.34Å; E239-Q242 PolarHBondContact O-N 2.79Å
240V77.9Confident87.3Confident72 Ų7230.4 Ų30.444%0.43619%0.185SC..THydrogen-bonded Turntrans-55.4130.1-179.6-174.80000111.3D207 F208 Q242D207-V240 HydrophobicContact CB-CG1 4.31Å; D207-V240 HydrophobicContact CB-CG2 4.24Å; D207-V240 WeakPolarHBondContact O-CA 3.23Å; F208-V240 HydrophobicContact CD1-CG2 4Å; F208-V240 HydrophobicContact CE1-CG2 3.36Å; F208-V240 HydrophobicContact CZ-CG2 3.87Å; V240-Q242 PolarHBondContact O-N 2.8Å
241G80.4Confident87.6Confident42 Ų4230 Ų3043%0.43318%0.183SC..THydrogen-bonded Turntrans78.6-4-179.800000115.2E239 V268E239-G241 PolarHBondContact O-N 3.28Å; G241-V268 WeakPolarHBondContact O-CA 3.49Å
242Q88.2Confident88.5Confident52 Ų5224.9 Ų24.924%0.24315%0.151CC..  trans-72.9161.1169.6-68.6-168.4-37.300111.1C238 E239 V240 S266 V268C238-Q242 HydrophobicContact CB-CB 3.79Å; E239-Q242 HydrophobicContact CB-CG 3.98Å; E239-Q242 VanDerWaalsContact O-CB 3.22Å; E239-Q242 WeakPolarHBondContact O-CB 3.34Å; E239-Q242 PolarHBondContact O-N 2.79Å; V240-Q242 PolarHBondContact O-N 2.8Å; Q242-S266 WeakPolarHBondContact CA-O 3.38Å; Q242-S266 WeakPolarHBondContact CB-O 3.29Å; Q242-S266 WeakPolarHBondContact CG-O 3.27Å; Q242-V268 HydrophobicContact CG-CG2 4.31Å
243V91.1Very high89.2Confident9 Ų923.8 Ų23.86%0.05515%0.145CC..EExtended strand (participates in β ladder)trans-126.1158.8177.1-59.40000110S266 A270 F293 C294 S295V243-S266 PolarHBondContact N-O 3.49Å; V243-S266 PolarHBondContact O-N 3.35Å; V243-A270 HydrophobicContact CG2-CB 3.66Å; V243-F293 HydrophobicContact CG2-CB 4.26Å; V243-F293 HydrophobicContact CG2-CD1 4.14Å; V243-C294 WeakPolarHBondContact CB-O 3.3Å; V243-S295 VanDerWaalsContact CG1-OG 3.3Å; V243-S295 WeakPolarHBondContact CG1-OG 3.35Å
244C93.7Very high89.7Confident0 Ų020.3 Ų20.30%013%0.126CC..EExtended strand (participates in β ladder)trans-69.6144.6169.8-60.10000109.6L209 C211 G264 F293 C294 C299 N300L209-C244 HydrophobicContact CD2-CB 4.22Å; L209-C244 WeakPolarHBondContact CD2-SG 3.39Å; C211-C244 WeakPolarHBondContact CA-SG 3.49Å; C211-C244 HydrophobicContact CB-CB 3.81Å; C211-C244 WeakPolarHBondContact CB-SG 2.99Å; C211-C244 WeakPolarHBondContact SG-CA 3.49Å; C211-C244 WeakPolarHBondContact SG-CB 3.05Å; C211-C244 CovalentContact SG-SG 2.02Å; C211-C244 PolarHBondContact SG-SG 2.79Å; C244-G264 CarbonylContact C-O 3.49Å; C244-F293 CarbonylContact O-C 3.52Å; C244-F293 VanDerWaalsContact O-CA 3.26Å; C244-F293 WeakPolarHBondContact O-CA 3.27Å; C244-C294 PolarHBondContact N-O 3.48Å; C244-C294 PolarHBondContact O-N 3.45Å; C244-C299 VanDerWaalsContact CB-SG 3.57Å; C244-N300 HydrophobicContact CB-CB 3.85Å
245Q94.5Very high89.7Confident1 Ų121.2 Ų21.21%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-128.8147.617070.579.526.200111T247 T262 K263 G264 H292 F293 N300 I389Q245-T247 PolarHBondContact OE1-OG1 2.02Å; Q245-T262 PolarHBondContact NE2-OG1 2.77Å; Q245-K263 WeakPolarHBondContact O-CA 3.3Å; Q245-G264 WeakPolarHBondContact CG-O 3.28Å; Q245-G264 PolarHBondContact N-O 2.78Å; Q245-G264 PolarHBondContact O-N 2.02Å; Q245-H292 CarbonylContact C-O 3.46Å; Q245-H292 VanDerWaalsContact CA-O 3.3Å; Q245-H292 WeakPolarHBondContact CA-O 3.2Å; Q245-F293 HydrophobicContact CB-CD1 3.55Å; Q245-F293 HydrophobicContact CB-CE1 3.49Å; Q245-F293 VanDerWaalsContact CB-CE1 3.49Å; Q245-F293 HydrophobicContact CB-CZ 4.43Å; Q245-F293 HydrophobicContact CG-CE1 4.41Å; Q245-N300 PolarHBondContact O-ND2 2.84Å; Q245-I389 HydrophobicContact CG-CB 4.25Å; Q245-I389 HydrophobicContact CG-CD1 4.42Å; Q245-I389 HydrophobicContact CG-CG1 4.33Å
246E94.4Very high89.8Confident3 Ų322.4 Ų22.41%0.01414%0.138CC..EExtended strand (participates in β ladder)trans-137132.8160.555.3-175.2-178.100109.9W230 T262 K263 Y290 H292 N300 S301 A302W230-E246 HydrophobicContact CH2-CB 4.33Å; E246-T262 CarbonylContact C-O 3.44Å; E246-T262 VanDerWaalsContact CA-O 3.28Å; E246-T262 WeakPolarHBondContact CA-O 3.41Å; E246-K263 HydrophobicContact CB-CG 4.02Å; E246-Y290 HydrophobicContact CG-CE1 3.99Å; E246-Y290 PolarHBondContact OE1-OH 2.82Å; E246-H292 HydrophobicContact CG-CB 3.68Å; E246-H292 PolarHBondContact N-O 2.93Å; E246-H292 PolarHBondContact O-N 3.01Å; E246-H292 IonicContact OE1-CE1 2.92Å; E246-H292 IonicContact OE1-CG 3.58Å; E246-H292 IonicContact OE1-ND1 2.75Å; E246-H292 PolarHBondContact OE1-ND1 2.88Å; E246-N300 HydrophobicContact CB-CB 3.99Å; E246-N300 HydrophobicContact CG-CB 3.98Å; E246-S301 PolarHBondContact OE2-N 3.13Å; E246-A302 WeakPolarHBondContact OE2-CB 3.1Å; E246-A302 PolarHBondContact OE2-N 2.97Å
247T95.4Very high90.1Very high0 Ų019.9 Ų19.90%013%0.126CC..EExtended strand (participates in β ladder)trans-132.8127.7-179.5-56.80000109.5Q245 G261 T262 Y290 T291 I387 I389 F390Q245-T247 PolarHBondContact OE1-OG1 2.02Å; T247-G261 CarbonylContact O-C 3.48Å; T247-G261 VanDerWaalsContact O-CA 3.29Å; T247-G261 WeakPolarHBondContact O-CA 2.93Å; T247-T262 PolarHBondContact N-O 3.16Å; T247-T262 PolarHBondContact O-N 2.88Å; T247-Y290 CarbonylContact C-O 3.56Å; T247-Y290 WeakPolarHBondContact CA-O 3.34Å; T247-T291 HydrophobicContact CG2-CG2 3.97Å; T247-I387 HydrophobicContact CG2-CG2 4.46Å; T247-I389 PolarHBondContact OG1-N 3.01Å; T247-F390 HydrophobicContact CG2-CD2 3.63Å; T247-F390 HydrophobicContact CG2-CE2 3.67Å
248L96.4Very high90.6Very high0 Ų019 Ų190%012%0.122CC..EExtended strand (participates in β ladder)trans-113.7140.1168.6-67.4-179.7000109.9W230 L259 V260 S289 Y290 V307 L308W230-L248 HydrophobicContact CD2-CD2 3.86Å; W230-L248 HydrophobicContact CE3-CD2 4.11Å; W230-L248 HydrophobicContact CH2-CD2 3.7Å; W230-L248 HydrophobicContact CH2-CG 4.21Å; W230-L248 HydrophobicContact CZ2-CD1 4.01Å; W230-L248 HydrophobicContact CZ2-CD2 3.48Å; W230-L248 VanDerWaalsContact CZ2-CD2 3.48Å; W230-L248 HydrophobicContact CZ2-CG 3.73Å; W230-L248 HydrophobicContact CZ3-CD2 4.01Å; L248-L259 HydrophobicContact CB-CD1 4.36Å; L248-L259 HydrophobicContact CD2-CD1 4.41Å; L248-V260 CarbonylContact C-O 3.53Å; L248-V260 VanDerWaalsContact CA-O 3.31Å; L248-V260 WeakPolarHBondContact CA-O 3.03Å; L248-S289 CarbonylContact O-C 3.54Å; L248-S289 WeakPolarHBondContact O-CA 3.44Å; L248-S289 VanDerWaalsContact O-CB 3.32Å; L248-S289 WeakPolarHBondContact O-CB 3.32Å; L248-Y290 PolarHBondContact N-O 2.86Å; L248-Y290 PolarHBondContact O-N 2.86Å; L248-V307 HydrophobicContact CD1-CG2 3.77Å; L248-L308 HydrophobicContact CB-CD2 4.25Å; L248-L308 HydrophobicContact CD1-CB 4.48Å
249L96.6Very high91Very high0 Ų019.1 Ų19.10%012%0.122CC..EExtended strand (participates in β ladder)trans-129.6120.7170-176.974.9000108.9L251 L259 V260 V287 L358 M367 I387L249-L251 HydrophobicContact CD2-CD1 3.71Å; L249-L251 HydrophobicContact CG-CD1 3.83Å; L249-L259 WeakPolarHBondContact O-CA 3.42Å; L249-V260 HydrophobicContact CB-CB 4.46Å; L249-V260 PolarHBondContact N-O 3.25Å; L249-V260 PolarHBondContact O-N 2.88Å; L249-V287 HydrophobicContact CD1-CG1 3.96Å; L249-L358 HydrophobicContact CD2-CD1 3.67Å; L249-L358 HydrophobicContact CD2-CD2 4.09Å; L249-L358 HydrophobicContact CD2-CG 4.45Å; L249-M367 HydrophobicContact CD2-CE 4.08Å; L249-I387 HydrophobicContact CD1-CD1 3.93Å; L249-I387 HydrophobicContact CD1-CG2 4.38Å
250L96.1Very high91.7Very high1 Ų117.4 Ų17.41%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-102.7130.5173.4176.670000109.2L223 A224 L259 L286 V287 A288 L308 L309 L312L223-L250 HydrophobicContact CB-CD1 4.03Å; A224-L250 HydrophobicContact CB-CD2 3.93Å; L250-L259 HydrophobicContact CB-CD1 4.2Å; L250-L259 HydrophobicContact CD1-CD1 4.48Å; L250-L286 HydrophobicContact CD2-CD2 4.39Å; L250-V287 WeakPolarHBondContact O-CA 3.43Å; L250-A288 PolarHBondContact N-O 3.37Å; L250-A288 PolarHBondContact O-N 3.29Å; L250-L308 HydrophobicContact CB-CD2 3.59Å; L250-L309 HydrophobicContact CD2-CD2 3.76Å; L250-L312 HydrophobicContact CD2-CD1 3.92Å
251L95.3Very high92.5Very high0 Ų014 Ų140%09%0.093CC..EExtended strand (participates in β ladder)trans-118.5127166-67.589.2000108.1L249 S257 T258 L286 V287 V329 I356 M367 I369L249-L251 HydrophobicContact CD2-CD1 3.71Å; L249-L251 HydrophobicContact CG-CD1 3.83Å; L251-S257 CarbonylContact O-C 3.56Å; L251-S257 WeakPolarHBondContact O-CA 3.23Å; L251-S257 WeakPolarHBondContact O-CB 3.29Å; L251-T258 PolarHBondContact N-O 2.9Å; L251-T258 PolarHBondContact O-N 3.16Å; L251-L286 CarbonylContact C-O 3.47Å; L251-L286 WeakPolarHBondContact CA-O 3.5Å; L251-V287 HydrophobicContact CD2-CG2 4.4Å; L251-V287 HydrophobicContact CG-CG1 4.27Å; L251-V287 HydrophobicContact CG-CG2 4.24Å; L251-V329 HydrophobicContact CB-CG2 4.42Å; L251-I356 HydrophobicContact CD2-CD1 4.04Å; L251-M367 HydrophobicContact CD1-CE 3.64Å; L251-M367 HydrophobicContact CD1-SD 3.71Å; L251-M367 HydrophobicContact CD2-CE 4.03Å; L251-M367 HydrophobicContact CD2-SD 4.42Å; L251-I369 HydrophobicContact CD2-CD1 3.4Å; L251-I369 HydrophobicContact CD2-CG1 4.01Å
252D93.7Very high93.2Very high7 Ų712 Ų124%0.0377%0.073CC..EExtended strand (participates in β ladder)trans-128.1123.4177177.650.1000110.2A224 G254 S257 V285 L286A224-D252 HydrophobicContact CB-CB 3.81Å; D252-G254 PolarHBondContact OD1-N 3.48Å; D252-S257 PolarHBondContact OD1-OG 3.12Å; D252-V285 CarbonylContact O-C 3.59Å; D252-V285 WeakPolarHBondContact O-CA 3Å; D252-L286 HydrophobicContact CB-CB 4.2Å; D252-L286 HydrophobicContact CB-CD2 4.44Å; D252-L286 PolarHBondContact N-O 3.16Å; D252-L286 PolarHBondContact O-N 2Å
253V91.8Very high93.5Very high3 Ų39.8 Ų9.82%0.0186%0.063CC..  trans-108.111.7178.9-59.10000111.9L255 T256 V285 T327 V329 I369V253-L255 PolarHBondContact O-N 3.18Å; V253-T256 WeakPolarHBondContact CG2-O 3.25Å; V253-T256 PolarHBondContact N-O 2.8Å; V253-V285 HydrophobicContact CB-CG2 4.47Å; V253-V285 HydrophobicContact CG1-CG1 4.19Å; V253-V285 HydrophobicContact CG1-CG2 4.03Å; V253-T327 VanDerWaalsContact CG2-OG1 3.24Å; V253-T327 WeakPolarHBondContact CG2-OG1 3.49Å; V253-T327 PolarHBondContact O-OG1 3.32Å; V253-V329 HydrophobicContact CG1-CB 4.21Å; V253-V329 HydrophobicContact CG2-CB 4.19Å; V253-V329 HydrophobicContact CG2-CG1 4.05Å; V253-I369 HydrophobicContact CG1-CG2 3.86Å
254G86.6Confident93.6Very high38 Ų389.5 Ų9.539%0.3926%0.062SC..SBendtrans94.6-46.9173.600000114.6D252D252-G254 PolarHBondContact OD1-N 3.48Å
255L85.1Confident93.5Very high88 Ų8810.8 Ų10.846%0.4617%0.07SC..SBendtrans-87-32.3173.5-71.6-169.9000112.7V253 T327 P340 M342V253-L255 PolarHBondContact O-N 3.18Å; L255-T327 HydrophobicContact CB-CG2 4.05Å; L255-T327 HydrophobicContact CD1-CG2 3.33Å; L255-T327 HydrophobicContact CG-CG2 3.68Å; L255-P340 HydrophobicContact CD1-CB 4.2Å; L255-P340 HydrophobicContact CD1-CG 4.29Å; L255-M342 HydrophobicContact CG-CB 4.46Å
256T90.1Very high93.3Very high47 Ų4711 Ų1129%0.2887%0.072SC..  trans-141.2151.818050.20000109.6V253V253-T256 WeakPolarHBondContact CG2-O 3.25Å; V253-T256 PolarHBondContact N-O 2.8Å
257S93.4Very high92.6Very high0 Ų015.9 Ų15.90%010%0.102CC..EExtended strand (participates in β ladder)trans-129.7149.8175.4-34.80000109.1T219 H220 L223 L251 D252T219-S257 CarbonylContact C-O 3.59Å; T219-S257 VanDerWaalsContact CA-O 3.25Å; T219-S257 WeakPolarHBondContact CA-O 3.41Å; H220-S257 PolarHBondContact N-O 2.87Å; H220-S257 PolarHBondContact O-N 3.05Å; H220-S257 VanDerWaalsContact O-O 3.09Å; L223-S257 WeakPolarHBondContact CD1-O 3.09Å; L251-S257 CarbonylContact O-C 3.56Å; L251-S257 WeakPolarHBondContact O-CA 3.23Å; L251-S257 WeakPolarHBondContact O-CB 3.29Å; D252-S257 PolarHBondContact OD1-OG 3.12Å
258T95.4Very high91Very high0 Ų020.6 Ų20.60%013%0.131CC..EExtended strand (participates in β ladder)trans-120.2128.5171.5-64.10000109.2I217 M218 T219 L251 V260 V329 P331 M367I217-T258 HydrophobicContact CG2-CG2 4.09Å; M218-T258 CarbonylContact O-C 3.47Å; M218-T258 WeakPolarHBondContact O-CA 3.49Å; M218-T258 WeakPolarHBondContact O-CG2 3.37Å; T219-T258 PolarHBondContact OG1-OG1 2.96Å; L251-T258 PolarHBondContact N-O 2.9Å; L251-T258 PolarHBondContact O-N 3.16Å; T258-V260 HydrophobicContact CG2-CG2 4.02Å; T258-V329 WeakPolarHBondContact OG1-CG1 3.29Å; T258-V329 WeakPolarHBondContact OG1-CG2 3.48Å; T258-P331 HydrophobicContact CG2-CG 4.27Å; T258-M367 HydrophobicContact CG2-SD 4.36Å
259L95.4Very high89.2Confident2 Ų223.2 Ų23.21%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-106.9128170.2-17772.6000109I217 M218 L223 L248 L249 L250 L308I217-L259 CarbonylContact C-O 3.55Å; I217-L259 WeakPolarHBondContact CA-O 2.92Å; M218-L259 PolarHBondContact N-O 3.01Å; M218-L259 PolarHBondContact O-N 2.68Å; L223-L259 HydrophobicContact CD1-CB 3.89Å; L248-L259 HydrophobicContact CB-CD1 4.36Å; L248-L259 HydrophobicContact CD2-CD1 4.41Å; L249-L259 WeakPolarHBondContact O-CA 3.42Å; L250-L259 HydrophobicContact CB-CD1 4.2Å; L250-L259 HydrophobicContact CD1-CD1 4.48Å; L259-L308 HydrophobicContact CD1-CD2 4.43Å
260V95.3Very high87.7Confident0 Ų024.5 Ų24.50%017%0.168CC..EExtended strand (participates in β ladder)trans-116.6131.3174.8-177.90000108.4T216 I217 L248 L249 T258 L358 L363 M367 F390T216-V260 WeakPolarHBondContact O-CA 3.3Å; I217-V260 HydrophobicContact CG1-CG1 4.28Å; I217-V260 HydrophobicContact CG1-CG2 4.34Å; I217-V260 HydrophobicContact CG2-CG2 4.49Å; L248-V260 CarbonylContact C-O 3.53Å; L248-V260 VanDerWaalsContact CA-O 3.31Å; L248-V260 WeakPolarHBondContact CA-O 3.03Å; L249-V260 HydrophobicContact CB-CB 4.46Å; L249-V260 PolarHBondContact N-O 3.25Å; L249-V260 PolarHBondContact O-N 2.88Å; T258-V260 HydrophobicContact CG2-CG2 4.02Å; V260-L358 HydrophobicContact CG1-CD1 4.27Å; V260-L358 HydrophobicContact CG2-CD1 4.49Å; V260-L363 HydrophobicContact CG1-CD2 3.18Å; V260-M367 HydrophobicContact CG2-SD 3.74Å; V260-F390 HydrophobicContact CG1-CE2 4.33Å; V260-F390 HydrophobicContact CG1-CZ 3.95Å
261G94.6Very high86.6Confident0 Ų031.7 Ų31.70%020%0.201CC..EExtended strand (participates in β ladder)trans-135.8147.8-179.200000113.1T215 T216 T247T215-G261 CarbonylContact C-O 3.59Å; T215-G261 VanDerWaalsContact CA-O 3.24Å; T215-G261 WeakPolarHBondContact CA-O 3.42Å; T216-G261 PolarHBondContact N-O 3.4Å; T216-G261 PolarHBondContact O-N 3.06Å; T247-G261 CarbonylContact O-C 3.48Å; T247-G261 VanDerWaalsContact O-CA 3.29Å; T247-G261 WeakPolarHBondContact O-CA 2.93Å
262T94.6Very high86Confident0 Ų036.6 Ų36.60%023%0.228CC..EExtended strand (participates in β ladder)trans-142.9145.6172.4175.90000110.3G214 Q245 E246 T247 G361 I389 F390G214-T262 CarbonylContact O-C 3.54Å; G214-T262 WeakPolarHBondContact O-CA 3.21Å; Q245-T262 PolarHBondContact NE2-OG1 2.77Å; E246-T262 CarbonylContact C-O 3.44Å; E246-T262 VanDerWaalsContact CA-O 3.28Å; E246-T262 WeakPolarHBondContact CA-O 3.41Å; T247-T262 PolarHBondContact N-O 3.16Å; T247-T262 PolarHBondContact O-N 2.88Å; T262-G361 PolarHBondContact OG1-O 3.21Å; T262-I389 HydrophobicContact CG2-CG2 3.36Å; T262-F390 HydrophobicContact CG2-CE1 3.7Å; T262-F390 HydrophobicContact CG2-CE2 3.84Å; T262-F390 HydrophobicContact CG2-CZ 3.28Å
263K94.7Very high85.9Confident7 Ų738.8 Ų38.83%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-132.6142.4170.3-61.3-171.616885.10108.7H212 R213 G214 W230 T232 Q245 E246 N300 A302H212-K263 HydrophobicContact CB-CB 4.39Å; H212-K263 HydrophobicContact CB-CD 3.83Å; H212-K263 CarbonylContact O-C 3.45Å; H212-K263 VanDerWaalsContact O-C 3.3Å; H212-K263 WeakPolarHBondContact O-CB 3.48Å; R213-K263 WeakPolarHBondContact CA-O 3.41Å; G214-K263 PolarHBondContact N-O 2.97Å; G214-K263 PolarHBondContact O-N 2.9Å; W230-K263 VanDerWaalsContact CD2-NZ 3.32Å; W230-K263 VanDerWaalsContact CE2-NZ 3.27Å; W230-K263 HydrophobicContact CH2-CD 4.02Å; W230-K263 VanDerWaalsContact CH2-CE 3.47Å; W230-K263 HydrophobicContact CH2-CG 3.5Å; W230-K263 VanDerWaalsContact CH2-CG 3.5Å; W230-K263 HydrophobicContact CZ3-CD 4.09Å; W230-K263 HydrophobicContact CZ3-CG 3.59Å; W230-K263 PolarHBondContact O-NZ 2.85Å; T232-K263 HydrophobicContact CG2-CD 4.28Å; Q245-K263 WeakPolarHBondContact O-CA 3.3Å; E246-K263 HydrophobicContact CB-CG 4.02Å; K263-N300 WeakPolarHBondContact CD-O 3.32Å; K263-N300 VanDerWaalsContact CE-O 3.27Å; K263-N300 WeakPolarHBondContact CE-O 3.24Å; K263-A302 WeakPolarHBondContact CE-O 3.29Å; K263-A302 PolarHBondContact NZ-O 2.87Å
264G93.3Very high85.9Confident3 Ų344.9 Ų44.93%0.03127%0.272CS..EExtended strand (participates in β ladder)trans165.9-157.6172.100000113.4H212 E236 C244 Q245 N300H212-G264 VanDerWaalsContact O-CA 3.3Å; H212-G264 WeakPolarHBondContact O-CA 3.06Å; H212-G264 PolarHBondContact O-N 3.34Å; H212-G264 VanDerWaalsContact O-N 3.12Å; E236-G264 VanDerWaalsContact OE1-C 3.28Å; E236-G264 WeakPolarHBondContact OE1-CA 3.49Å; C244-G264 CarbonylContact C-O 3.49Å; Q245-G264 WeakPolarHBondContact CG-O 3.28Å; Q245-G264 PolarHBondContact N-O 2.78Å; Q245-G264 PolarHBondContact O-N 2.02Å; G264-N300 PolarHBondContact N-ND2 2.82Å
265C91.7Very high86.3Confident26 Ų2649.2 Ų49.218%0.17628%0.28CS..EExtended strand (participates in β ladder)trans-81.3146.7172.9-550000112.3E236 C238E236-C265 VanDerWaalsContact CG-SG 3.59Å; E236-C265 PolarHBondContact OE1-N 2.86Å; C238-C265 WeakPolarHBondContact CA-SG 3.42Å; C238-C265 HydrophobicContact CB-CB 3.79Å; C238-C265 WeakPolarHBondContact CB-SG 3.02Å; C238-C265 VanDerWaalsContact SG-CA 3.58Å; C238-C265 WeakPolarHBondContact SG-CB 3.34Å; C238-C265 CovalentContact SG-SG 2.02Å; C238-C265 PolarHBondContact SG-SG 3.32Å
266S89.6Confident86.8Confident7 Ų746.8 Ų46.85%0.04927%0.269CS..EExtended strand (participates in β ladder)trans-123159.9172-1720000112.1Q242 V243 F293Q242-S266 WeakPolarHBondContact CA-O 3.38Å; Q242-S266 WeakPolarHBondContact CB-O 3.29Å; Q242-S266 WeakPolarHBondContact CG-O 3.27Å; V243-S266 PolarHBondContact N-O 3.49Å; V243-S266 PolarHBondContact O-N 3.35Å; S266-F293 WeakPolarHBondContact OG-CE1 3.36Å
267T80.2Confident87Confident104 Ų10446.4 Ų46.464%0.63827%0.266SS*.  trans-57.1152.2-178.852.50000113.4
268V60.6Low87.1Confident100 Ų10049.5 Ų49.561%0.60628%0.282SS*.THydrogen-bonded Turntrans-54.1133.3-179.3-1770000111.9G241 Q242G241-V268 WeakPolarHBondContact O-CA 3.49Å; Q242-V268 HydrophobicContact CG-CG2 4.31Å
269G58.8Low87Confident54 Ų5450.9 Ų50.956%0.55729%0.289SS*.THydrogen-bonded Turntrans95.9-1.2173.200000116.1Q271G269-Q271 PolarHBondContact O-N 2.81Å
270A65.8Low86.8Confident28 Ų2851.8 Ų51.823%0.23130%0.296CS..PPolyproline II helixtrans-64.6116.3166.900000109.4V243 F293V243-A270 HydrophobicContact CG2-CB 3.66Å; A270-F293 HydrophobicContact CB-CB 4.44Å; A270-F293 HydrophobicContact CB-CD1 3.85Å; A270-F293 HydrophobicContact CB-CE1 4.34Å; A270-F293 HydrophobicContact CB-CG 4.15Å
271Q73.7Confident86.4Confident151 Ų15154.9 Ų54.971%0.70632%0.321SS*.PPolyproline II helixtrans-74.5150.9179.6-70.2-66.2-30.500110.8G269 S273G269-Q271 PolarHBondContact O-N 2.81Å; Q271-S273 WeakPolarHBondContact O-CB 3.48Å; Q271-S273 PolarHBondContact O-N 2.82Å; Q271-S273 PolarHBondContact O-OG 3.09Å
272N82.8Confident85.7Confident103 Ų10358.2 Ų58.255%0.55134%0.343SS*.SBendtrans-51.4116.2170.2-72.8-5.7000108.9F293 C294 S295N272-F293 VanDerWaalsContact CA-O 3.26Å; N272-F293 WeakPolarHBondContact CA-O 3.37Å; N272-C294 VanDerWaalsContact OD1-CA 3.27Å; N272-C294 WeakPolarHBondContact OD1-CA 3.42Å; N272-S295 WeakPolarHBondContact OD1-CB 3.33Å; N272-S295 PolarHBondContact OD1-N 2.84Å; N272-S295 PolarHBondContact OD1-OG 2.92Å
273S89.9Confident85.2Confident53 Ų5360.5 Ų60.537%0.37136%0.357SS..EExtended strand (participates in β ladder)trans-157.5141.3-173.955.80000109.6Q271 H292 F293Q271-S273 WeakPolarHBondContact O-CB 3.48Å; Q271-S273 PolarHBondContact O-N 2.82Å; Q271-S273 PolarHBondContact O-OG 3.09Å; S273-H292 CarbonylContact O-C 3.58Å; S273-H292 VanDerWaalsContact O-CA 3.24Å; S273-H292 WeakPolarHBondContact O-CA 3.31Å; S273-H292 PolarHBondContact O-CD2 3.34Å; S273-F293 PolarHBondContact N-O 2.91Å; S273-F293 PolarHBondContact O-N 3.2Å
274Q92.6Very high84.8Confident131 Ų13161 Ų6161%0.61237%0.365SS*.EExtended strand (participates in β ladder)trans-132.1125.1173.2-176.9179-59.900107.7Y290 T291 H292Q274-Y290 HydrophobicContact CG-CD2 4.43Å; Q274-Y290 HydrophobicContact CG-CE2 3.49Å; Q274-Y290 VanDerWaalsContact CG-CE2 3.49Å; Q274-Y290 PolarHBondContact OE1-OH 3Å; Q274-T291 CarbonylContact C-O 3.6Å; Q274-T291 WeakPolarHBondContact CA-O 3.45Å; Q274-H292 HydrophobicContact CG-CB 4.3Å
275K94.2Very high84.8Confident129 Ų12961 Ų6156%0.56136%0.364SS*.EExtended strand (participates in β ladder)trans-146.3136.1-175.8-171.9-179.2-179.9-170.40111.5T277 Y290 T291K275-T277 VanDerWaalsContact CE-OG1 3.27Å; K275-T277 WeakPolarHBondContact CE-OG1 3.38Å; K275-Y290 CarbonylContact O-C 3.57Å; K275-Y290 WeakPolarHBondContact O-CA 3.27Å; K275-T291 PolarHBondContact N-O 2.99Å; K275-T291 PolarHBondContact O-N 2.86Å; K275-T291 PolarHBondContact O-OG1 2.86Å
276T95.8Very high84.8Confident38 Ų3859.9 Ų59.923%0.23336%0.356CS..EExtended strand (participates in β ladder)trans-103.9136.5162.2-58.30000109.5S289 L308 S311T276-S289 CarbonylContact C-O 3.52Å; T276-S289 VanDerWaalsContact CA-O 3.25Å; T276-S289 WeakPolarHBondContact CA-O 3.28Å; T276-L308 HydrophobicContact CG2-CD1 3.52Å; T276-S311 PolarHBondContact OG1-OG 2.99Å
277T95.4Very high85.1Confident38 Ų3859.5 Ų59.523%0.23335%0.354CS..EExtended strand (participates in β ladder)trans-131.7134178.9-54.20000109.7K275 A288 S289K275-T277 VanDerWaalsContact CE-OG1 3.27Å; K275-T277 WeakPolarHBondContact CE-OG1 3.38Å; T277-A288 CarbonylContact O-C 3.53Å; T277-A288 VanDerWaalsContact O-CA 3.22Å; T277-A288 WeakPolarHBondContact O-CA 3.24Å; T277-S289 PolarHBondContact N-O 2.86Å; T277-S289 PolarHBondContact O-N 3.39Å
278I94.7Very high85.9Confident65 Ų6554.6 Ų54.633%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-99.7115.6170.5-57.9171.3000106.7S280 A281 L286 A288 L312 P313I278-S280 WeakPolarHBondContact CG2-O 2.9Å; I278-A281 HydrophobicContact CG2-CB 3.95Å; I278-L286 HydrophobicContact CG2-CD1 4.12Å; I278-A288 HydrophobicContact CG1-CB 4.35Å; I278-L312 HydrophobicContact CD1-CD2 4.39Å; I278-L312 HydrophobicContact CG1-CD2 4.11Å; I278-P313 HydrophobicContact CD1-CG 4.01Å
279H93.3Very high87.6Confident29 Ų2949.9 Ų49.913%0.13430%0.295CS..EExtended strand (participates in β ladder)trans-89.3-40.4-178.1-58.4-78.4000111.6V287 S289 L380 L381H279-V287 HydrophobicContact CB-CB 4.22Å; H279-V287 HydrophobicContact CB-CG1 4.17Å; H279-V287 PolarHBondContact N-O 3.01Å; H279-S289 PolarHBondContact NE2-OG 2.86Å; H279-L380 CarbonylContact C-O 3.52Å; H279-L381 HydrophobicContact CB-CD2 3.84Å
280S91.6Very high89.4Confident22 Ų2247.5 Ų47.515%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-128.5121.1170.9-179.90000108.4I278 V285 L286 V287 L380I278-S280 WeakPolarHBondContact CG2-O 2.9Å; S280-V285 PolarHBondContact OG-O 2.98Å; S280-L286 WeakPolarHBondContact O-CA 3.35Å; S280-L286 WeakPolarHBondContact O-CD1 3.18Å; S280-V287 PolarHBondContact N-O 3.41Å; S280-V287 PolarHBondContact O-N 2.75Å; S280-L380 WeakPolarHBondContact CB-O 3.16Å
281A85.8Confident90.8Very high65 Ų6546.9 Ų46.954%0.53726%0.263SS..PPolyproline II helixtrans-95.8151.3-178.600000111.5I278I278-A281 HydrophobicContact CG2-CB 3.95Å
282P81.3Confident91.9Very high70 Ų7041.2 Ų41.246%0.45524%0.236SC..SBendtrans-56.8154.4168.7-22.733.9000111.9
283P82.9Confident92.4Very high47 Ų4737.4 Ų37.431%0.30522%0.215SC..SBendcis-83.5135.411.132.3-34.7000113.6P345 A348P283-P345 HydrophobicContact CB-CB 3.92Å; P283-P345 HydrophobicContact CB-CG 3.77Å; P283-A348 HydrophobicContact CB-CB 4.37Å
284G87.6Confident92.6Very high18 Ų1835.2 Ų35.219%0.18620%0.199CC..SBendtrans117.8-141.4179.400000112.5L286 C372G284-L286 PolarHBondContact O-N 3.01Å; G284-C372 CarbonylContact C-O 3.58Å; G284-C372 WeakPolarHBondContact CA-O 3.4Å
285V92.2Very high92.4Very high2 Ų232.1 Ų32.11%0.01219%0.192CC..  trans-64.7122.7178.1179.80000110.6D252 V253 S280 V287 C372 L380D252-V285 CarbonylContact O-C 3.59Å; D252-V285 WeakPolarHBondContact O-CA 3Å; V253-V285 HydrophobicContact CB-CG2 4.47Å; V253-V285 HydrophobicContact CG1-CG1 4.19Å; V253-V285 HydrophobicContact CG1-CG2 4.03Å; S280-V285 PolarHBondContact OG-O 2.98Å; V285-V287 HydrophobicContact CG1-CG2 4.06Å; V285-C372 PolarHBondContact N-O 2.91Å; V285-L380 HydrophobicContact CB-CD2 4.18Å; V285-L380 HydrophobicContact CG1-CD1 3.98Å; V285-L380 HydrophobicContact CG1-CD2 4.13Å
286L92.9Very high92.1Very high3 Ų329.3 Ų29.32%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-95.4130.8171164.868.9000109.3L250 L251 D252 I278 S280 G284 A288 L312 Q315L250-L286 HydrophobicContact CD2-CD2 4.39Å; L251-L286 CarbonylContact C-O 3.47Å; L251-L286 WeakPolarHBondContact CA-O 3.5Å; D252-L286 HydrophobicContact CB-CB 4.2Å; D252-L286 HydrophobicContact CB-CD2 4.44Å; D252-L286 PolarHBondContact N-O 3.16Å; D252-L286 PolarHBondContact O-N 2Å; I278-L286 HydrophobicContact CG2-CD1 4.12Å; S280-L286 WeakPolarHBondContact O-CA 3.35Å; S280-L286 WeakPolarHBondContact O-CD1 3.18Å; G284-L286 PolarHBondContact O-N 3.01Å; L286-A288 HydrophobicContact CD1-CB 4.18Å; L286-L312 HydrophobicContact CD2-CD1 4.18Å; L286-Q315 VanDerWaalsContact CD2-NE2 3.27Å
287V95.1Very high91.7Very high0 Ų032.3 Ų32.30%020%0.203CC..EExtended strand (participates in β ladder)trans-129.2120.7167.7-1750000108.2L249 L250 L251 H279 S280 V285 L380 L381L249-V287 HydrophobicContact CD1-CG1 3.96Å; L250-V287 WeakPolarHBondContact O-CA 3.43Å; L251-V287 HydrophobicContact CD2-CG2 4.4Å; L251-V287 HydrophobicContact CG-CG1 4.27Å; L251-V287 HydrophobicContact CG-CG2 4.24Å; H279-V287 HydrophobicContact CB-CB 4.22Å; H279-V287 HydrophobicContact CB-CG1 4.17Å; H279-V287 PolarHBondContact N-O 3.01Å; S280-V287 PolarHBondContact N-O 3.41Å; S280-V287 PolarHBondContact O-N 2.75Å; V285-V287 HydrophobicContact CG1-CG2 4.06Å; V287-L380 HydrophobicContact CG2-CB 4.19Å; V287-L380 HydrophobicContact CG2-CD1 4.32Å; V287-L381 HydrophobicContact CG1-CD2 3.68Å
288A96.2Very high91.4Very high0 Ų033 Ų330%021%0.205CC..EExtended strand (participates in β ladder)trans-142150.6-179.500000111.5L250 T277 I278 L286 L308 L312L250-A288 PolarHBondContact N-O 3.37Å; L250-A288 PolarHBondContact O-N 3.29Å; T277-A288 CarbonylContact O-C 3.53Å; T277-A288 VanDerWaalsContact O-CA 3.22Å; T277-A288 WeakPolarHBondContact O-CA 3.24Å; I278-A288 HydrophobicContact CG1-CB 4.35Å; L286-A288 HydrophobicContact CD1-CB 4.18Å; A288-L308 HydrophobicContact CB-CD1 4.1Å; A288-L312 HydrophobicContact CB-CD2 3.53Å
289S96.9Very high91.3Very high1 Ų131 Ų311%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-134.6145.9-178.664.50000112.4L248 T276 T277 H279 I387L248-S289 CarbonylContact O-C 3.54Å; L248-S289 WeakPolarHBondContact O-CA 3.44Å; L248-S289 VanDerWaalsContact O-CB 3.32Å; L248-S289 WeakPolarHBondContact O-CB 3.32Å; T276-S289 CarbonylContact C-O 3.52Å; T276-S289 VanDerWaalsContact CA-O 3.25Å; T276-S289 WeakPolarHBondContact CA-O 3.28Å; T277-S289 PolarHBondContact N-O 2.86Å; T277-S289 PolarHBondContact O-N 3.39Å; H279-S289 PolarHBondContact NE2-OG 2.86Å; S289-I387 WeakPolarHBondContact OG-CG2 3.28Å
290Y97Very high91.3Very high4 Ų429.6 Ų29.62%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-110.5134.7165.1165.6-92.9000108.6E246 T247 L248 Q274 K275 H292 V307E246-Y290 HydrophobicContact CG-CE1 3.99Å; E246-Y290 PolarHBondContact OE1-OH 2.82Å; T247-Y290 CarbonylContact C-O 3.56Å; T247-Y290 WeakPolarHBondContact CA-O 3.34Å; L248-Y290 PolarHBondContact N-O 2.86Å; L248-Y290 PolarHBondContact O-N 2.86Å; Q274-Y290 HydrophobicContact CG-CD2 4.43Å; Q274-Y290 HydrophobicContact CG-CE2 3.49Å; Q274-Y290 VanDerWaalsContact CG-CE2 3.49Å; Q274-Y290 PolarHBondContact OE1-OH 3Å; K275-Y290 CarbonylContact O-C 3.57Å; K275-Y290 WeakPolarHBondContact O-CA 3.27Å; Y290-H292 HydrophobicContact CE1-CB 3.79Å; Y290-H292 HydrophobicContact CE2-CB 4.45Å; Y290-H292 VanDerWaalsContact OH-CB 3.28Å; Y290-H292 WeakPolarHBondContact OH-CB 3.49Å; Y290-H292 PolarHBondContact OH-ND1 2.89Å; Y290-V307 HydrophobicContact CD1-CB 4.44Å; Y290-V307 HydrophobicContact CD1-CG2 3.66Å; Y290-V307 HydrophobicContact CD2-CB 4.1Å; Y290-V307 HydrophobicContact CD2-CG2 4.1Å; Y290-V307 HydrophobicContact CE1-CB 4.22Å; Y290-V307 HydrophobicContact CE1-CG2 3.71Å; Y290-V307 HydrophobicContact CE2-CB 3.87Å; Y290-V307 HydrophobicContact CE2-CG2 4.15Å; Y290-V307 HydrophobicContact CG-CB 4.37Å; Y290-V307 HydrophobicContact CG-CG2 3.86Å
291T95.9Very high91.4Very high15 Ų1532 Ų329%0.09221%0.207CC..EExtended strand (participates in β ladder)trans-133.3130.9176.759.20000108.8T247 Q274 K275 I387 G388T247-T291 HydrophobicContact CG2-CG2 3.97Å; Q274-T291 CarbonylContact C-O 3.6Å; Q274-T291 WeakPolarHBondContact CA-O 3.45Å; K275-T291 PolarHBondContact N-O 2.99Å; K275-T291 PolarHBondContact O-N 2.86Å; K275-T291 PolarHBondContact O-OG1 2.86Å; T291-I387 HydrophobicContact CG2-CG2 4.49Å; T291-G388 VanDerWaalsContact CG2-CA 3.45Å
292H95.2Very high91.8Very high32 Ų3229.4 Ų29.415%0.14819%0.186CC..EExtended strand (participates in β ladder)trans-135.8127.7174.3174.8-151.2000110.1Q245 E246 S273 Q274 Y290Q245-H292 CarbonylContact C-O 3.46Å; Q245-H292 VanDerWaalsContact CA-O 3.3Å; Q245-H292 WeakPolarHBondContact CA-O 3.2Å; E246-H292 HydrophobicContact CG-CB 3.68Å; E246-H292 PolarHBondContact N-O 2.93Å; E246-H292 PolarHBondContact O-N 3.01Å; E246-H292 IonicContact OE1-CE1 2.92Å; E246-H292 IonicContact OE1-CG 3.58Å; E246-H292 IonicContact OE1-ND1 2.75Å; E246-H292 PolarHBondContact OE1-ND1 2.88Å; S273-H292 CarbonylContact O-C 3.58Å; S273-H292 VanDerWaalsContact O-CA 3.24Å; S273-H292 WeakPolarHBondContact O-CA 3.31Å; S273-H292 PolarHBondContact O-CD2 3.34Å; Q274-H292 HydrophobicContact CG-CB 4.3Å; Y290-H292 HydrophobicContact CE1-CB 3.79Å; Y290-H292 HydrophobicContact CE2-CB 4.45Å; Y290-H292 VanDerWaalsContact OH-CB 3.28Å; Y290-H292 WeakPolarHBondContact OH-CB 3.49Å; Y290-H292 PolarHBondContact OH-ND1 2.89Å
293F94.6Very high92.4Very high23 Ų2329.1 Ų29.110%0.10119%0.186CC..EExtended strand (participates in β ladder)trans-118.3135.7172.5-62.8-86.9000108.2V243 C244 Q245 S266 A270 N272 S273V243-F293 HydrophobicContact CG2-CB 4.26Å; V243-F293 HydrophobicContact CG2-CD1 4.14Å; C244-F293 CarbonylContact O-C 3.52Å; C244-F293 VanDerWaalsContact O-CA 3.26Å; C244-F293 WeakPolarHBondContact O-CA 3.27Å; Q245-F293 HydrophobicContact CB-CD1 3.55Å; Q245-F293 HydrophobicContact CB-CE1 3.49Å; Q245-F293 VanDerWaalsContact CB-CE1 3.49Å; Q245-F293 HydrophobicContact CB-CZ 4.43Å; Q245-F293 HydrophobicContact CG-CE1 4.41Å; S266-F293 WeakPolarHBondContact OG-CE1 3.36Å; A270-F293 HydrophobicContact CB-CB 4.44Å; A270-F293 HydrophobicContact CB-CD1 3.85Å; A270-F293 HydrophobicContact CB-CE1 4.34Å; A270-F293 HydrophobicContact CB-CG 4.15Å; N272-F293 VanDerWaalsContact CA-O 3.26Å; N272-F293 WeakPolarHBondContact CA-O 3.37Å; S273-F293 PolarHBondContact N-O 2.91Å; S273-F293 PolarHBondContact O-N 3.2Å
294C92.6Very high93Very high8 Ų827.7 Ų27.75%0.05418%0.176CC..EExtended strand (participates in β ladder)trans-155152.5-17456.30000112.4V243 C244 N272 C299V243-C294 WeakPolarHBondContact CB-O 3.3Å; C244-C294 PolarHBondContact N-O 3.48Å; C244-C294 PolarHBondContact O-N 3.45Å; N272-C294 VanDerWaalsContact OD1-CA 3.27Å; N272-C294 WeakPolarHBondContact OD1-CA 3.42Å; C294-C299 HydrophobicContact CB-CB 3.71Å; C294-C299 WeakPolarHBondContact CB-SG 3.34Å; C294-C299 PolarHBondContact O-SG 3.24Å; C294-C299 WeakPolarHBondContact SG-CB 3.32Å; C294-C299 CovalentContact SG-SG 2Å; C294-C299 PolarHBondContact SG-SG 2.91Å
295S89.4Confident93.3Very high65 Ų6526.9 Ų26.946%0.45517%0.168SC..  trans-118.731.4-167.3-48.70000113.6V243 N272V243-S295 VanDerWaalsContact CG1-OG 3.3Å; V243-S295 WeakPolarHBondContact CG1-OG 3.35Å; N272-S295 WeakPolarHBondContact OD1-CB 3.33Å; N272-S295 PolarHBondContact OD1-N 2.84Å; N272-S295 PolarHBondContact OD1-OG 2.92Å
296S87.8Confident93.4Very high70 Ų7028.3 Ų28.349%0.4918%0.178SC..SBendtrans-130.6151.217463.70000110.5L209 L298 C299L209-S296 WeakPolarHBondContact CD1-O 3.28Å; S296-L298 PolarHBondContact O-N 3.41Å; S296-C299 WeakPolarHBondContact O-CB 3.29Å; S296-C299 PolarHBondContact O-N 3.22Å; S296-C299 VanDerWaalsContact O-N 3.16Å; S296-C299 PolarHBondContact O-SG 2.91Å; S296-C299 WeakPolarHBondContact OG-CB 3.32Å
297D86.9Confident93.6Very high101 Ų10130 Ų3054%0.5419%0.189SC..THydrogen-bonded Turntrans-53.4133.2-173.6-74.1-41.3000111.5T210 C299T210-D297 PolarHBondContact N-OD1 3.41Å; T210-D297 WeakPolarHBondContact O-CA 3.24Å; D297-C299 PolarHBondContact O-N 3.35Å
298L89.7Confident93.6Very high52 Ų5230.1 Ų30.127%0.27219%0.189SC..THydrogen-bonded Turntrans56.321.9175.4-54.2177.4000114.2T210 T235 S296 N300 S301T210-L298 HydrophobicContact CG2-CD2 3.9Å; T210-L298 PolarHBondContact O-N 2.8Å; T235-L298 HydrophobicContact CG2-CD2 3.61Å; S296-L298 PolarHBondContact O-N 3.41Å; L298-N300 PolarHBondContact O-N 2.83Å; L298-S301 WeakPolarHBondContact O-CB 3.48Å
299C92.3Very high93.5Very high23 Ų2331 Ų3116%0.15519%0.194CC..  trans-67.3-21-176.761.80000114.3C244 C294 S296 D297 S301C244-C299 VanDerWaalsContact CB-SG 3.57Å; C294-C299 HydrophobicContact CB-CB 3.71Å; C294-C299 WeakPolarHBondContact CB-SG 3.34Å; C294-C299 PolarHBondContact O-SG 3.24Å; C294-C299 WeakPolarHBondContact SG-CB 3.32Å; C294-C299 CovalentContact SG-SG 2Å; C294-C299 PolarHBondContact SG-SG 2.91Å; S296-C299 WeakPolarHBondContact O-CB 3.29Å; S296-C299 PolarHBondContact O-N 3.22Å; S296-C299 VanDerWaalsContact O-N 3.16Å; S296-C299 PolarHBondContact O-SG 2.91Å; S296-C299 WeakPolarHBondContact OG-CB 3.32Å; D297-C299 PolarHBondContact O-N 3.35Å; C299-S301 PolarHBondContact O-N 3.11Å
300N94.2Very high93.3Very high0 Ų037.1 Ų37.10%023%0.227CC..  trans-83.356.4176.367.9-32.2000111.3H212 C244 Q245 E246 K263 G264 L298H212-N300 WeakPolarHBondContact CB-OD1 3.27Å; H212-N300 PolarHBondContact CD2-O 2.87Å; H212-N300 PolarHBondContact N-OD1 2.98Å; H212-N300 PolarHBondContact O-ND2 2.8Å; C244-N300 HydrophobicContact CB-CB 3.85Å; Q245-N300 PolarHBondContact O-ND2 2.84Å; E246-N300 HydrophobicContact CB-CB 3.99Å; E246-N300 HydrophobicContact CG-CB 3.98Å; K263-N300 WeakPolarHBondContact CD-O 3.32Å; K263-N300 VanDerWaalsContact CE-O 3.27Å; K263-N300 WeakPolarHBondContact CE-O 3.24Å; G264-N300 PolarHBondContact N-ND2 2.82Å; L298-N300 PolarHBondContact O-N 2.83Å
301S93.5Very high93Very high72 Ų7240.2 Ų40.250%0.50325%0.248SC..  trans-102.616.6-167.252.70000114.1E246 L298 C299 S303E246-S301 PolarHBondContact OE2-N 3.13Å; L298-S301 WeakPolarHBondContact O-CB 3.48Å; C299-S301 PolarHBondContact O-N 3.11Å; S301-S303 PolarHBondContact O-N 2.78Å
302A94.1Very high92.7Very high12 Ų1240.5 Ų40.510%0.09925%0.25CC..  trans-59.4115178.700000110.3W230 E246 K263 V307W230-A302 HydrophobicContact CZ2-CB 4.18Å; W230-A302 PolarHBondContact NE1-O 2.86Å; E246-A302 WeakPolarHBondContact OE2-CB 3.1Å; E246-A302 PolarHBondContact OE2-N 2.97Å; K263-A302 WeakPolarHBondContact CE-O 3.29Å; K263-A302 PolarHBondContact NZ-O 2.87Å; A302-V307 HydrophobicContact CB-CG1 3.92Å; A302-V307 HydrophobicContact CB-CG2 4.15Å
303S93.4Very high92.2Very high64 Ų6442.6 Ų42.645%0.44827%0.266SS..  trans-95.8-4.8-176.856.80000113.6D229 W230 S301D229-S303 CarbonylContact C-O 3.59Å; D229-S303 WeakPolarHBondContact CA-O 3.45Å; W230-S303 PolarHBondContact N-O 3.49Å; S301-S303 PolarHBondContact O-N 2.78Å
304S94.8Very high91.2Very high16 Ų1647.8 Ų47.811%0.11230%0.302CS..BIsolated β-bridgetrans-144.3151.5-174.5-174.80000111.5T228 W230 S306T228-S304 WeakPolarHBondContact O-CA 3.45Å; W230-S304 VanDerWaalsContact CD1-C 3.45Å; W230-S304 PolarHBondContact NE1-O 2.97Å; S304-S306 PolarHBondContact O-N 2.87Å; S304-S306 PolarHBondContact OG-N 2.72Å
305S95Very high90Very high1 Ų151.4 Ų51.41%0.00732%0.318CS..THydrogen-bonded Turntrans-71.2-4.2174.369.20000113.6P227 T228 V307 L308 L309P227-S305 WeakPolarHBondContact CA-OG 3.48Å; T228-S305 PolarHBondContact N-OG 3Å; T228-S305 PolarHBondContact O-N 2.92Å; S305-V307 PolarHBondContact O-N 3.07Å; S305-V307 VanDerWaalsContact O-N 3.16Å; S305-L308 WeakPolarHBondContact O-CB 3.25Å; S305-L308 PolarHBondContact O-N 3.43Å; S305-L309 PolarHBondContact O-N 2.85Å
306S95Very high88.9Confident32 Ų3252.4 Ų52.422%0.22433%0.33CS..Hα-helixtrans-54.6-31.2174.460.20000113.3S304 L308 L309 N310S304-S306 PolarHBondContact O-N 2.87Å; S304-S306 PolarHBondContact OG-N 2.72Å; S306-L308 PolarHBondContact O-N 2.83Å; S306-L309 PolarHBondContact O-N 3.2Å; S306-N310 VanDerWaalsContact O-CB 3.27Å; S306-N310 WeakPolarHBondContact O-CB 3.22Å; S306-N310 PolarHBondContact O-N 3.09Å; S306-N310 PolarHBondContact O-ND2 2.9Å
307V95.3Very high88.2Confident40 Ų4053.5 Ų53.524%0.24234%0.343CS..Hα-helixtrans-57.6-28.6174.8-600000112.9L248 Y290 A302 S305L248-V307 HydrophobicContact CD1-CG2 3.77Å; Y290-V307 HydrophobicContact CD1-CB 4.44Å; Y290-V307 HydrophobicContact CD1-CG2 3.66Å; Y290-V307 HydrophobicContact CD2-CB 4.1Å; Y290-V307 HydrophobicContact CD2-CG2 4.1Å; Y290-V307 HydrophobicContact CE1-CB 4.22Å; Y290-V307 HydrophobicContact CE1-CG2 3.71Å; Y290-V307 HydrophobicContact CE2-CB 3.87Å; Y290-V307 HydrophobicContact CE2-CG2 4.15Å; Y290-V307 HydrophobicContact CG-CB 4.37Å; Y290-V307 HydrophobicContact CG-CG2 3.86Å; A302-V307 HydrophobicContact CB-CG1 3.92Å; A302-V307 HydrophobicContact CB-CG2 4.15Å; S305-V307 PolarHBondContact O-N 3.07Å; S305-V307 VanDerWaalsContact O-N 3.16Å
308L95.6Very high87.7Confident1 Ų153.2 Ų53.21%0.00535%0.347CS..Hα-helixtrans-90.5-53.2172.3174.752000111L248 L250 L259 T276 A288 S305 S306 N310 S311 L312L248-L308 HydrophobicContact CB-CD2 4.25Å; L248-L308 HydrophobicContact CD1-CB 4.48Å; L250-L308 HydrophobicContact CB-CD2 3.59Å; L259-L308 HydrophobicContact CD1-CD2 4.43Å; T276-L308 HydrophobicContact CG2-CD1 3.52Å; A288-L308 HydrophobicContact CB-CD1 4.1Å; S305-L308 WeakPolarHBondContact O-CB 3.25Å; S305-L308 PolarHBondContact O-N 3.43Å; S306-L308 PolarHBondContact O-N 2.83Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 2.84Å; L308-S311 WeakPolarHBondContact O-CB 3.14Å; L308-S311 PolarHBondContact O-N 2.93Å; L308-S311 VanDerWaalsContact O-N 3.11Å; L308-L312 HydrophobicContact CD1-CD2 4.29Å
309L93.6Very high87.6Confident19 Ų1954.5 Ų54.510%0.09936%0.357CS..Hα-helixtrans-62.4-36.9-170.2-63.6-175.3000113.7P227 L250 S305 S306 S311 L312P227-L309 HydrophobicContact CB-CD1 4.42Å; P227-L309 HydrophobicContact CG-CD1 4.12Å; L250-L309 HydrophobicContact CD2-CD2 3.76Å; S305-L309 PolarHBondContact O-N 2.85Å; S306-L309 PolarHBondContact O-N 3.2Å; L309-S311 PolarHBondContact O-N 3.45Å; L309-S311 VanDerWaalsContact O-N 3.1Å; L309-L312 HydrophobicContact CD2-CD1 3.66Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 2.77Å
310N92.6Very high87.5Confident130 Ų13057.9 Ų57.970%0.69538%0.379SS*.THydrogen-bonded Turntrans-64.7-17.6-180-68.5-13.5000113.3S306 L308S306-N310 VanDerWaalsContact O-CB 3.27Å; S306-N310 WeakPolarHBondContact O-CB 3.22Å; S306-N310 PolarHBondContact O-N 3.09Å; S306-N310 PolarHBondContact O-ND2 2.9Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 2.84Å
311S91.8Very high87.3Confident68 Ų6858.7 Ų58.748%0.47639%0.387SS..THydrogen-bonded Turntrans-95.2-4.7177-59.90000112.9T276 L308 L309T276-S311 PolarHBondContact OG1-OG 2.99Å; L308-S311 WeakPolarHBondContact O-CB 3.14Å; L308-S311 PolarHBondContact O-N 2.93Å; L308-S311 VanDerWaalsContact O-N 3.11Å; L309-S311 PolarHBondContact O-N 3.45Å; L309-S311 VanDerWaalsContact O-N 3.1Å
312L90Very high87.1Confident22 Ų2263.8 Ų63.812%0.11541%0.408CS..SBendtrans-83.5145.8179-59.1-179.2000110.5L250 I278 L286 A288 L308 L309L250-L312 HydrophobicContact CD2-CD1 3.92Å; I278-L312 HydrophobicContact CD1-CD2 4.39Å; I278-L312 HydrophobicContact CG1-CD2 4.11Å; L286-L312 HydrophobicContact CD2-CD1 4.18Å; A288-L312 HydrophobicContact CB-CD2 3.53Å; L308-L312 HydrophobicContact CD1-CD2 4.29Å; L309-L312 HydrophobicContact CD2-CD1 3.66Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 2.77Å
313P83.3Confident87.1Confident75 Ų7569.7 Ų69.749%0.48743%0.428SS..PPolyproline II helixtrans-58.2144.3173.5-20.731.3000110.6I278 Q315I278-P313 HydrophobicContact CD1-CG 4.01Å; P313-Q315 PolarHBondContact O-N 3.02Å; P313-Q315 VanDerWaalsContact O-N 3.11Å
314P73.6Confident87.2Confident132 Ų13271.5 Ų71.586%0.85743%0.429SS*.PPolyproline II helixtrans-53121.7173.2-24.533000110.5A316P314-A316 PolarHBondContact O-N 3.18Å
315Q68.1Low87.1Confident84 Ų8470.7 Ų70.739%0.39342%0.424SS..  trans-81.699.8175.3-63.6-164.19.300108.9L286 P313L286-Q315 VanDerWaalsContact CD2-NE2 3.27Å; P313-Q315 PolarHBondContact O-N 3.02Å; P313-Q315 VanDerWaalsContact O-N 3.11Å
316A65.7Low87Confident86 Ų8672 Ų7271%0.71143%0.432SS*.PPolyproline II helixtrans-69.1150.6165.800000109.8P314 P318P314-A316 PolarHBondContact O-N 3.18Å; A316-P318 WeakPolarHBondContact O-CD 3.47Å; A316-P318 VanDerWaalsContact O-N 3.1Å
317A73.2Confident86.9Confident93 Ų9370.6 Ų70.677%0.76942%0.422SS*.PPolyproline II helixtrans-53.1120.1173.400000109.4V319A317-V319 PolarHBondContact O-N 2.96Å
318P77.8Confident86.8Confident95 Ų9569.2 Ų69.262%0.61742%0.415SS*.PPolyproline II helixtrans-66.1129.4-173.83.7-3.1000110.6A316 P320 P345A316-P318 WeakPolarHBondContact O-CD 3.47Å; A316-P318 VanDerWaalsContact O-N 3.1Å; P318-P320 WeakPolarHBondContact O-CD 3.39Å; P318-P345 HydrophobicContact CB-CB 3.62Å
319V87.4Confident86.6Confident80 Ų8069.6 Ų69.649%0.48542%0.417SS..PPolyproline II helixtrans-66.4125.8171.5-179.80000108.1A317 P345 R346A317-V319 PolarHBondContact O-N 2.96Å; V319-P345 CarbonylContact O-C 3.59Å; V319-P345 WeakPolarHBondContact O-CA 3.37Å; V319-R346 HydrophobicContact CB-CB 4.41Å; V319-R346 WeakPolarHBondContact O-CB 3.3Å; V319-R346 PolarHBondContact O-N 2.87Å
320P89.1Confident86.5Confident94 Ų9473 Ų7361%0.6143%0.432SS*.EExtended strand (participates in β ladder)trans-59.6138.7179-24.634.4000112.3P318 T343P318-P320 WeakPolarHBondContact O-CD 3.39Å; P320-T343 HydrophobicContact CB-CG2 4.2Å
321G90.6Very high86.3Confident16 Ų1668.2 Ų68.217%0.16541%0.408CS..EExtended strand (participates in β ladder)trans-102.9-165.5167.400000112T343 C344G321-T343 WeakPolarHBondContact O-CG2 3.38Å; G321-C344 WeakPolarHBondContact CA-O 3.22Å; G321-C344 PolarHBondContact N-O 2.88Å
322D90.5Very high85.8Confident179 Ų17971.4 Ų71.496%0.95742%0.419SS*.EExtended strand (participates in β ladder)trans-101.2-6.1-172.5-52.2-52.3000113.8
323R93Very high85.5Confident136 Ų13671.4 Ų71.451%0.51342%0.424SS..EExtended strand (participates in β ladder)trans-94.7142.9-177.7-17067.3-178.9-175.7-2.7110.9C344R323-C344 HydrophobicContact CB-CB 4.2Å; R323-C344 WeakPolarHBondContact O-CB 3.49Å; R323-C344 PolarHBondContact O-N 2.77Å
324Q94.6Very high85.7Confident102 Ų10272.6 Ų72.648%0.47743%0.43SS..EExtended strand (participates in β ladder)trans-117.6134.9167.8-70.1-175.2-12.900111.2R341 M342Q324-R341 PolarHBondContact O-NH2 2.79Å; Q324-R341 VanDerWaalsContact O-NH2 3.09Å; Q324-M342 WeakPolarHBondContact CA-O 3.1Å
325C93.5Very high86.5Confident0 Ų067.3 Ų67.30%040%0.396CS..EExtended strand (participates in β ladder)trans-129.8150.9177.9-65.20000111.1R341 M342 C344 C351C325-R341 VanDerWaalsContact O-CA 3.31Å; C325-R341 WeakPolarHBondContact O-CA 3.31Å; C325-M342 PolarHBondContact N-O 2.78Å; C325-M342 VanDerWaalsContact N-O 3.15Å; C325-M342 PolarHBondContact O-N 2.74Å; C325-C344 PolarHBondContact SG-SG 3.35Å; C325-C351 VanDerWaalsContact CA-SG 3.5Å; C325-C351 HydrophobicContact CB-CB 3.74Å; C325-C351 WeakPolarHBondContact CB-SG 3.44Å; C325-C351 WeakPolarHBondContact SG-CA 3.39Å; C325-C351 WeakPolarHBondContact SG-CB 3.18Å; C325-C351 CovalentContact SG-SG 2.03Å; C325-C351 PolarHBondContact SG-SG 3.24Å
326P93.6Very high87.2Confident28 Ų2866.8 Ų66.818%0.18240%0.402CS..EExtended strand (participates in β ladder)trans-60.2144.4163.828.8-33.2000109.3P340 Q370 G371P326-P340 CarbonylContact C-O 3.56Å; P326-P340 WeakPolarHBondContact CA-O 3.35Å; P326-Q370 HydrophobicContact CB-CB 4.32Å; P326-Q370 HydrophobicContact CG-CB 4.3Å; P326-Q370 CarbonylContact O-C 3.58Å; P326-G371 WeakPolarHBondContact O-CA 3.18Å; P326-G371 PolarHBondContact O-N 3.49Å
327T92.6Very high87.7Confident2 Ų269 Ų691%0.01241%0.412CS..  trans-129.6128.1176.5-179.30000109.8V253 L255 P340 M342 Q370V253-T327 VanDerWaalsContact CG2-OG1 3.24Å; V253-T327 WeakPolarHBondContact CG2-OG1 3.49Å; V253-T327 PolarHBondContact O-OG1 3.32Å; L255-T327 HydrophobicContact CB-CG2 4.05Å; L255-T327 HydrophobicContact CD1-CG2 3.33Å; L255-T327 HydrophobicContact CG-CG2 3.68Å; T327-P340 HydrophobicContact CG2-CG 4.3Å; T327-P340 WeakPolarHBondContact CG2-O 3.44Å; T327-P340 PolarHBondContact N-O 3.36Å; T327-M342 HydrophobicContact CG2-CB 4.06Å; T327-M342 HydrophobicContact CG2-CG 3.89Å; T327-M342 HydrophobicContact CG2-SD 4.02Å; T327-Q370 WeakPolarHBondContact CA-O 3.4Å
328C92.4Very high88.1Confident12 Ų1267.7 Ų67.78%0.08141%0.408CS..EExtended strand (participates in β ladder)trans-165.9137.6-178.8160.30000109.1C335 I369 Q370C328-C335 HydrophobicContact CB-CB 3.68Å; C328-C335 WeakPolarHBondContact CB-SG 3.34Å; C328-C335 WeakPolarHBondContact SG-CA 3.49Å; C328-C335 WeakPolarHBondContact SG-CB 3.43Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.41Å; C328-I369 CarbonylContact O-C 3.41Å; C328-I369 WeakPolarHBondContact O-CA 3.15Å; C328-Q370 HydrophobicContact CB-CB 4.25Å; C328-Q370 PolarHBondContact N-O 3.34Å; C328-Q370 PolarHBondContact O-N 3.16Å
329V92.8Very high88.6Confident9 Ų963.9 Ų63.96%0.05538%0.383CS..EExtended strand (participates in β ladder)trans-130.3123.116161.20000107.4L251 V253 T258 S368 I369L251-V329 HydrophobicContact CB-CG2 4.42Å; V253-V329 HydrophobicContact CG1-CB 4.21Å; V253-V329 HydrophobicContact CG2-CB 4.19Å; V253-V329 HydrophobicContact CG2-CG1 4.05Å; T258-V329 WeakPolarHBondContact OG1-CG1 3.29Å; T258-V329 WeakPolarHBondContact OG1-CG2 3.48Å; V329-S368 WeakPolarHBondContact CA-O 3.36Å; V329-I369 HydrophobicContact CG2-CG1 4.4Å
330Q90.8Very high88.7Confident91 Ų9163.9 Ų63.943%0.42539%0.385SS..EExtended strand (participates in β ladder)trans-136.2104.3-175.7-162.2157.1-26.700110.8S368Q330-S368 PolarHBondContact N-O 3.3Å; Q330-S368 PolarHBondContact O-N 3.01Å; Q330-S368 VanDerWaalsContact O-N 3.09Å
331P87.8Confident88.8Confident28 Ų2866.7 Ų66.718%0.18238%0.383CS..EExtended strand (participates in β ladder)trans-68.6142.517128.3-31.8000110I217 T258 G333 M367I217-P331 HydrophobicContact CG2-CB 3.76Å; I217-P331 HydrophobicContact CG2-CG 3.75Å; T258-P331 HydrophobicContact CG2-CG 4.27Å; P331-G333 PolarHBondContact O-N 3.34Å; P331-M367 HydrophobicContact CB-CG 4.35Å
332L81.2Confident88.8Confident136 Ų13667.8 Ų67.871%0.71238%0.384SS*.THydrogen-bonded Turntrans62.710177.8-55.1165.7000115.1K366L332-K366 PolarHBondContact N-O 3.1Å
333G84Confident89Confident21 Ų2162.3 Ų62.322%0.21636%0.358CS..SBendtrans-141.8-168.7-17600000113.7P331 S368P331-G333 PolarHBondContact O-N 3.34Å; G333-S368 WeakPolarHBondContact O-CB 3.32Å; G333-S368 PolarHBondContact O-OG 3.32Å
334T87.6Confident88.9Confident100 Ų10055.9 Ų55.961%0.61333%0.333SS*.  trans-124.3144.2176.856.70000110.4S368T334-S368 WeakPolarHBondContact CA-OG 3.48Å
335C89.5Confident88.8Confident22 Ų2251.7 Ų51.715%0.14932%0.315CS..  trans-71.6135.2172.2-660000109.7C328 S368 Q370C328-C335 HydrophobicContact CB-CB 3.68Å; C328-C335 WeakPolarHBondContact CB-SG 3.34Å; C328-C335 WeakPolarHBondContact SG-CA 3.49Å; C328-C335 WeakPolarHBondContact SG-CB 3.43Å; C328-C335 CovalentContact SG-SG 2.04Å; C328-C335 PolarHBondContact SG-SG 3.41Å; C335-S368 PolarHBondContact SG-O 2.84Å; C335-Q370 HydrophobicContact CB-CG 3.91Å
336S84.5Confident88.7Confident72 Ų7260 Ų6050%0.50335%0.347SS..  trans-77.6156.3-178.7178.80000111.6G338 S339S336-G338 PolarHBondContact O-N 2.86Å; S336-G338 PolarHBondContact OG-N 2.8Å; S336-S339 PolarHBondContact O-N 2.82Å; S336-S339 VanDerWaalsContact O-N 3.15Å; S336-S339 PolarHBondContact O-OG 3.24Å
337S75.3Confident88.4Confident134 Ų13460.7 Ų60.794%0.93736%0.359SS*.THydrogen-bonded Turntrans-62.2-19.2167.650.20000112.9
338G81.4Confident88.4Confident65 Ų6560.7 Ų60.767%0.6736%0.359SS*.THydrogen-bonded Turntrans-94.916.5174.200000115.1S336S336-G338 PolarHBondContact O-N 2.86Å; S336-G338 PolarHBondContact OG-N 2.8Å
339S87.5Confident88.3Confident15 Ų1564 Ų6411%0.10538%0.378CS..  trans-51.6142.9177-66.90000112S336 Q370S336-S339 PolarHBondContact O-N 2.82Å; S336-S339 VanDerWaalsContact O-N 3.15Å; S336-S339 PolarHBondContact O-OG 3.24Å; S339-Q370 PolarHBondContact OG-OE1 2.96Å
340P89.8Confident88.3Confident79 Ų7966.8 Ų66.851%0.51339%0.391SS..  trans-56.9147.3177.724.9-33.1000110.2L255 P326 T327L255-P340 HydrophobicContact CD1-CB 4.2Å; L255-P340 HydrophobicContact CD1-CG 4.29Å; P326-P340 CarbonylContact C-O 3.56Å; P326-P340 WeakPolarHBondContact CA-O 3.35Å; T327-P340 HydrophobicContact CG2-CG 4.3Å; T327-P340 WeakPolarHBondContact CG2-O 3.44Å; T327-P340 PolarHBondContact N-O 3.36Å
341R92Very high88.4Confident153 Ų15365 Ų6558%0.57739%0.388SS*.EExtended strand (participates in β ladder)trans-105.2137.4179.3-60.9179.471.887.21.8109.3Q324 C325Q324-R341 PolarHBondContact O-NH2 2.79Å; Q324-R341 VanDerWaalsContact O-NH2 3.09Å; C325-R341 VanDerWaalsContact O-CA 3.31Å; C325-R341 WeakPolarHBondContact O-CA 3.31Å
342M90.6Very high88.6Confident39 Ų3964.1 Ų64.119%0.19238%0.381CS..EExtended strand (participates in β ladder)trans-120.4149.7173.169.5176.9-70.100110.9L255 Q324 C325 T327 C344L255-M342 HydrophobicContact CG-CB 4.46Å; Q324-M342 WeakPolarHBondContact CA-O 3.1Å; C325-M342 PolarHBondContact N-O 2.78Å; C325-M342 VanDerWaalsContact N-O 3.15Å; C325-M342 PolarHBondContact O-N 2.74Å; T327-M342 HydrophobicContact CG2-CB 4.06Å; T327-M342 HydrophobicContact CG2-CG 3.89Å; T327-M342 HydrophobicContact CG2-SD 4.02Å; M342-C344 PolarHBondContact O-N 3.23Å
343T94.1Very high89.1Confident65 Ų6562 Ų6240%0.39937%0.37SS..EExtended strand (participates in β ladder)trans-72.2122.8167.7-57.20000108.5P320 G321P320-T343 HydrophobicContact CB-CG2 4.2Å; G321-T343 WeakPolarHBondContact O-CG2 3.38Å
344C92.4Very high89.4Confident0 Ų061.2 Ų61.20%036%0.362CS..EExtended strand (participates in β ladder)trans-69145.2-178.3-64.80000111.3G321 R323 C325 M342 A348 C372G321-C344 WeakPolarHBondContact CA-O 3.22Å; G321-C344 PolarHBondContact N-O 2.88Å; R323-C344 HydrophobicContact CB-CB 4.2Å; R323-C344 WeakPolarHBondContact O-CB 3.49Å; R323-C344 PolarHBondContact O-N 2.77Å; C325-C344 PolarHBondContact SG-SG 3.35Å; M342-C344 PolarHBondContact O-N 3.23Å; C344-A348 HydrophobicContact CB-CB 4.16Å; C344-A348 WeakPolarHBondContact CB-O 3.34Å; C344-C372 WeakPolarHBondContact CA-SG 3.11Å; C344-C372 HydrophobicContact CB-CB 3.64Å; C344-C372 WeakPolarHBondContact CB-SG 3.49Å; C344-C372 WeakPolarHBondContact SG-CB 3.34Å; C344-C372 CovalentContact SG-SG 2.04Å; C344-C372 PolarHBondContact SG-SG 2.79Å
345P91.7Very high89.7Confident14 Ų1458.6 Ų58.69%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-61.2151.1172.623.9-32.2000111.5P283 P318 V319 G347 A348P283-P345 HydrophobicContact CB-CB 3.92Å; P283-P345 HydrophobicContact CB-CG 3.77Å; P318-P345 HydrophobicContact CB-CB 3.62Å; V319-P345 CarbonylContact O-C 3.59Å; V319-P345 WeakPolarHBondContact O-CA 3.37Å; P345-G347 PolarHBondContact O-N 2.87Å; P345-A348 HydrophobicContact CG-CB 3.82Å; P345-A348 WeakPolarHBondContact O-CB 3.37Å; P345-A348 PolarHBondContact O-N 3.02Å
346R90.7Very high89.9Confident176 Ų17657.6 Ų57.666%0.66434%0.335SS*.THydrogen-bonded Turntrans-53.9128.4174.2-174.8178.8-70.8171.4-2.8109.7V319V319-R346 HydrophobicContact CB-CB 4.41Å; V319-R346 WeakPolarHBondContact O-CB 3.3Å; V319-R346 PolarHBondContact O-N 2.87Å
347G87.9Confident90.3Very high42 Ų4257.1 Ų57.143%0.43332%0.324SS..THydrogen-bonded Turntrans97.4-22.1-173.300000114.2P345 T349 A374P345-G347 PolarHBondContact O-N 2.87Å; G347-T349 PolarHBondContact O-N 2.81Å; G347-A374 WeakPolarHBondContact O-CA 3.33Å
348A91.7Very high91.2Very high2 Ų250.7 Ų50.72%0.01728%0.28CS..  trans-92.49117300000111.2P283 C344 P345 C372 V373P283-A348 HydrophobicContact CB-CB 4.37Å; C344-A348 HydrophobicContact CB-CB 4.16Å; C344-A348 WeakPolarHBondContact CB-O 3.34Å; P345-A348 HydrophobicContact CG-CB 3.82Å; P345-A348 WeakPolarHBondContact O-CB 3.37Å; P345-A348 PolarHBondContact O-N 3.02Å; A348-C372 HydrophobicContact CB-CB 3.86Å; A348-V373 CarbonylContact C-O 3.59Å; A348-V373 WeakPolarHBondContact CA-O 3.03Å
349T92.1Very high91.8Very high80 Ų8049.5 Ų49.549%0.49126%0.261SS..  trans-99.4-3.9-170.1500000114.1G347 V373 A374G347-T349 PolarHBondContact O-N 2.81Å; T349-V373 PolarHBondContact N-O 3.13Å; T349-A374 PolarHBondContact OG1-O 2.89Å
350H92.6Very high92Very high69 Ų6950 Ų5032%0.31927%0.268SS..EExtended strand (participates in β ladder)trans-126.5158.8-174-5881.4000112C372 V373 A374H350-C372 WeakPolarHBondContact O-CA 2.99Å; H350-V373 HydrophobicContact CB-CG2 3.91Å; H350-V373 PolarHBondContact N-O 3.44Å; H350-V373 VanDerWaalsContact N-O 3.13Å; H350-V373 PolarHBondContact O-N 3.26Å; H350-A374 PolarHBondContact ND1-O 3.47Å
351C92.2Very high91.9Very high54 Ų5447.5 Ų47.537%0.36526%0.257SS..EExtended strand (participates in β ladder)trans-105.3135.4174.6-51.70000110.5C325 G371C325-C351 VanDerWaalsContact CA-SG 3.5Å; C325-C351 HydrophobicContact CB-CB 3.74Å; C325-C351 WeakPolarHBondContact CB-SG 3.44Å; C325-C351 WeakPolarHBondContact SG-CA 3.39Å; C325-C351 WeakPolarHBondContact SG-CB 3.18Å; C325-C351 CovalentContact SG-SG 2.03Å; C325-C351 PolarHBondContact SG-SG 3.24Å; C351-G371 WeakPolarHBondContact CA-O 2.99Å
352Y91.9Very high91.7Very high9 Ų944.1 Ų44.14%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-99.5139.3172.2179.7-95.4000110.4I369 Q370 G371 V373 L380Y352-I369 HydrophobicContact CD1-CB 4.35Å; Y352-I369 HydrophobicContact CD1-CG2 4.01Å; Y352-I369 HydrophobicContact CE1-CB 3.95Å; Y352-I369 HydrophobicContact CE1-CG2 3.99Å; Y352-Q370 VanDerWaalsContact O-CA 3.3Å; Y352-Q370 WeakPolarHBondContact O-CA 3.43Å; Y352-G371 PolarHBondContact N-O 2.92Å; Y352-G371 PolarHBondContact O-N 3.25Å; Y352-V373 HydrophobicContact CG-CG1 4.42Å; Y352-L380 HydrophobicContact CD1-CD1 3.87Å; Y352-L380 HydrophobicContact CD1-CG 4.27Å; Y352-L380 HydrophobicContact CD2-CD2 4.34Å; Y352-L380 HydrophobicContact CD2-CG 4.25Å; Y352-L380 HydrophobicContact CE1-CD1 3.42Å; Y352-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y352-L380 HydrophobicContact CE1-CG 3.88Å; Y352-L380 HydrophobicContact CE2-CD1 4.35Å; Y352-L380 HydrophobicContact CE2-CD2 4.45Å; Y352-L380 HydrophobicContact CE2-CG 3.88Å; Y352-L380 HydrophobicContact CG-CD1 4.49Å; Y352-L380 HydrophobicContact CG-CD2 4.38Å; Y352-L380 HydrophobicContact CG-CG 4.43Å
353D91.5Very high91.7Very high90 Ų9043.2 Ų43.248%0.48127%0.265SS..EExtended strand (participates in β ladder)trans-141.8106.5170.2-177.8-54.9000109Q370 K395D353-Q370 HydrophobicContact CB-CG 4.44Å; D353-Q370 PolarHBondContact OD2-NE2 2.04Å; D353-K395 PolarHBondContact O-NZ 2.79Å; D353-K395 VanDerWaalsContact O-NZ 3.09Å; D353-K395 IonicContact OD1-NZ 2.75Å; D353-K395 PolarHBondContact OD1-NZ 2.9Å
354G91.3Very high91.6Very high5 Ų543.9 Ų43.95%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-160.1-168.7-17500000113.5I369G354-I369 PolarHBondContact N-O 2.94Å; G354-I369 PolarHBondContact O-N 3.17Å
355Y92.4Very high91.6Very high46 Ų4644 Ų4418%0.1827%0.273CS..EExtended strand (participates in β ladder)trans-146.2155.2172.865.9-98.1000110.6K366 M367 E394 K395 V398Y355-K366 HydrophobicContact CD2-CD 4.27Å; Y355-K366 HydrophobicContact CD2-CG 4.01Å; Y355-K366 HydrophobicContact CG-CD 4.39Å; Y355-K366 HydrophobicContact CG-CG 4.27Å; Y355-M367 CarbonylContact C-O 3.52Å; Y355-M367 WeakPolarHBondContact CA-O 3.49Å; Y355-M367 VanDerWaalsContact CB-O 3.29Å; Y355-M367 WeakPolarHBondContact CB-O 3.45Å; Y355-E394 WeakPolarHBondContact O-CA 3.5Å; Y355-K395 HydrophobicContact CD1-CB 3.79Å; Y355-K395 HydrophobicContact CD1-CD 4.15Å; Y355-K395 HydrophobicContact CD1-CG 3.99Å; Y355-K395 HydrophobicContact CE1-CB 3.6Å; Y355-K395 HydrophobicContact CE1-CD 4.21Å; Y355-K395 HydrophobicContact CE1-CG 3.61Å; Y355-K395 HydrophobicContact CG-CB 4.41Å; Y355-K395 PolarHBondContact O-N 3.26Å; Y355-V398 WeakPolarHBondContact OH-CG2 3.13Å
356I93.4Very high91.7Very high0 Ų047.3 Ų47.30%029%0.286CS..EExtended strand (participates in β ladder)trans-117.1122.3168.6-61175.5000107.3L251 L358 M367 I369 L380 L381 A392 E394L251-I356 HydrophobicContact CD2-CD1 4.04Å; I356-L358 HydrophobicContact CG2-CD2 3.8Å; I356-L358 HydrophobicContact CG2-CG 4.14Å; I356-M367 HydrophobicContact CB-CE 4.02Å; I356-M367 HydrophobicContact CG2-CE 4.05Å; I356-M367 PolarHBondContact N-O 2.97Å; I356-M367 PolarHBondContact O-N 2.77Å; I356-I369 HydrophobicContact CB-CD1 4.3Å; I356-I369 HydrophobicContact CD1-CD1 3.67Å; I356-I369 HydrophobicContact CG1-CD1 3.7Å; I356-L380 HydrophobicContact CD1-CB 4.5Å; I356-L381 HydrophobicContact CD1-CD1 4.02Å; I356-L381 HydrophobicContact CD1-CD2 4.08Å; I356-L381 HydrophobicContact CD1-CG 3.86Å; I356-L381 HydrophobicContact CG1-CD1 4.4Å; I356-L381 HydrophobicContact CG2-CD1 3.91Å; I356-A392 HydrophobicContact CG2-CB 4.43Å; I356-E394 HydrophobicContact CG1-CG 4.23Å
357H93.8Very high91.8Very high62 Ų6239 Ų3929%0.28726%0.255SS..EExtended strand (participates in β ladder)trans-94.6121.2169.3-174.9-83.9000109A392 R393H357-A392 CarbonylContact O-C 3.6Å; H357-A392 WeakPolarHBondContact O-CA 3.37Å; H357-R393 HydrophobicContact CB-CB 4.47Å; H357-R393 PolarHBondContact N-O 2.82Å; H357-R393 PolarHBondContact O-N 3.15Å
358L94.1Very high92.1Very high0 Ų037.4 Ų37.40%024%0.237CC..EExtended strand (participates in β ladder)trans-107.7136.8175.2-62.1177.7000109.9L249 V260 I356 S364 T365 M367 F390 S391 A392L249-L358 HydrophobicContact CD2-CD1 3.67Å; L249-L358 HydrophobicContact CD2-CD2 4.09Å; L249-L358 HydrophobicContact CD2-CG 4.45Å; V260-L358 HydrophobicContact CG1-CD1 4.27Å; V260-L358 HydrophobicContact CG2-CD1 4.49Å; I356-L358 HydrophobicContact CG2-CD2 3.8Å; I356-L358 HydrophobicContact CG2-CG 4.14Å; L358-S364 CarbonylContact O-C 3.52Å; L358-S364 VanDerWaalsContact O-CA 3.31Å; L358-S364 WeakPolarHBondContact O-CA 3.27Å; L358-T365 HydrophobicContact CB-CG2 4.16Å; L358-T365 HydrophobicContact CD1-CG2 4.28Å; L358-T365 PolarHBondContact N-O 3.11Å; L358-T365 PolarHBondContact O-N 2.98Å; L358-M367 HydrophobicContact CD1-CE 3.39Å; L358-M367 HydrophobicContact CD1-SD 4.2Å; L358-M367 HydrophobicContact CG-CE 3.77Å; L358-F390 HydrophobicContact CD2-CB 4.28Å; L358-S391 WeakPolarHBondContact CA-O 3.36Å; L358-A392 HydrophobicContact CD2-CB 3.78Å
359S93.9Very high92.2Very high40 Ų4037.4 Ų37.428%0.2824%0.237SC..EExtended strand (participates in β ladder)trans-143.6129171.657.90000110.3L363 S391S359-L363 CarbonylContact C-O 3.52Å; S359-L363 WeakPolarHBondContact CA-O 3.44Å; S359-S391 PolarHBondContact N-O 3Å; S359-S391 PolarHBondContact O-N 3.09Å
360G91.7Very high92.3Very high24 Ų2434.2 Ų34.225%0.24722%0.217CC..EExtended strand (participates in β ladder)trans149.3160.1177.900000112.1G362 L363 F390G360-G362 VanDerWaalsContact C-N 3.28Å; G360-G362 PolarHBondContact O-N 3.36Å; G360-L363 PolarHBondContact N-O 2.83Å; G360-L363 PolarHBondContact O-N 3.15Å; G360-F390 WeakPolarHBondContact O-CE1 3.42Å
361G87.1Confident92.3Very high28 Ų2831 Ų3129%0.28920%0.201SC..THydrogen-bonded Turntrans56.937.1174.700000114.5T215 T262 L363T215-G361 WeakPolarHBondContact CG2-O 3.42Å; T262-G361 PolarHBondContact OG1-O 3.21Å; G361-L363 PolarHBondContact O-N 3.19Å
362G88.6Confident92.4Very high81 Ų8128.5 Ų28.584%0.83519%0.185SC*.THydrogen-bonded Turntrans76.14.9-177.800000115.2G360G360-G362 VanDerWaalsContact C-N 3.28Å; G360-G362 PolarHBondContact O-N 3.36Å
363L90.1Very high92.4Very high21 Ų2128.7 Ų28.711%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-116.2138.1179-166.672.1000111.3T215 I217 V260 S359 G360 G361 T365 F390T215-L363 HydrophobicContact CG2-CB 4.14Å; T215-L363 HydrophobicContact CG2-CD1 4.5Å; I217-L363 HydrophobicContact CD1-CD1 3.82Å; I217-L363 HydrophobicContact CD1-CD2 4.25Å; I217-L363 HydrophobicContact CD1-CG 4.47Å; I217-L363 HydrophobicContact CG1-CD1 4.25Å; I217-L363 HydrophobicContact CG1-CD2 4.24Å; V260-L363 HydrophobicContact CG1-CD2 3.18Å; S359-L363 CarbonylContact C-O 3.52Å; S359-L363 WeakPolarHBondContact CA-O 3.44Å; G360-L363 PolarHBondContact N-O 2.83Å; G360-L363 PolarHBondContact O-N 3.15Å; G361-L363 PolarHBondContact O-N 3.19Å; L363-T365 HydrophobicContact CD2-CG2 4.13Å; L363-T365 HydrophobicContact CG-CG2 4.4Å; L363-F390 HydrophobicContact CB-CE1 4.12Å; L363-F390 HydrophobicContact CD2-CE1 4.03Å; L363-F390 HydrophobicContact CD2-CZ 4.15Å
364S93.2Very high92.3Very high78 Ų7826.5 Ų26.555%0.54518%0.181SC..EExtended strand (participates in β ladder)trans-136.6115.9166.1-171.10000108.8L358L358-S364 CarbonylContact O-C 3.52Å; L358-S364 VanDerWaalsContact O-CA 3.31Å; L358-S364 WeakPolarHBondContact O-CA 3.27Å
365T92.5Very high92Very high3 Ų333.6 Ų33.62%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-146.5143.5-177-172.20000112I217 L358 L363 M367I217-T365 HydrophobicContact CD1-CG2 4.14Å; L358-T365 HydrophobicContact CB-CG2 4.16Å; L358-T365 HydrophobicContact CD1-CG2 4.28Å; L358-T365 PolarHBondContact N-O 3.11Å; L358-T365 PolarHBondContact O-N 2.98Å; L363-T365 HydrophobicContact CD2-CG2 4.13Å; L363-T365 HydrophobicContact CG-CG2 4.4Å; T365-M367 HydrophobicContact CG2-CG 4.4Å
366K93.5Very high91.3Very high84 Ų8436.2 Ų36.237%0.36524%0.236SC..EExtended strand (participates in β ladder)trans-104.7122.4169.7-174.9-176.4177.6-177.90108.3L332 Y355L332-K366 PolarHBondContact N-O 3.1Å; Y355-K366 HydrophobicContact CD2-CD 4.27Å; Y355-K366 HydrophobicContact CD2-CG 4.01Å; Y355-K366 HydrophobicContact CG-CD 4.39Å; Y355-K366 HydrophobicContact CG-CG 4.27Å
367M93.1Very high90.2Very high0 Ų038.9 Ų38.90%026%0.255CS..EExtended strand (participates in β ladder)trans-105.8114.3176.1-61176.2-60.800108.6L249 L251 T258 V260 P331 Y355 I356 L358 T365L249-M367 HydrophobicContact CD2-CE 4.08Å; L251-M367 HydrophobicContact CD1-CE 3.64Å; L251-M367 HydrophobicContact CD1-SD 3.71Å; L251-M367 HydrophobicContact CD2-CE 4.03Å; L251-M367 HydrophobicContact CD2-SD 4.42Å; T258-M367 HydrophobicContact CG2-SD 4.36Å; V260-M367 HydrophobicContact CG2-SD 3.74Å; P331-M367 HydrophobicContact CB-CG 4.35Å; Y355-M367 CarbonylContact C-O 3.52Å; Y355-M367 WeakPolarHBondContact CA-O 3.49Å; Y355-M367 VanDerWaalsContact CB-O 3.29Å; Y355-M367 WeakPolarHBondContact CB-O 3.45Å; I356-M367 HydrophobicContact CB-CE 4.02Å; I356-M367 HydrophobicContact CG2-CE 4.05Å; I356-M367 PolarHBondContact N-O 2.97Å; I356-M367 PolarHBondContact O-N 2.77Å; L358-M367 HydrophobicContact CD1-CE 3.39Å; L358-M367 HydrophobicContact CD1-SD 4.2Å; L358-M367 HydrophobicContact CG-CE 3.77Å; T365-M367 HydrophobicContact CG2-CG 4.4Å
368S93.7Very high89.1Confident10 Ų1037.6 Ų37.67%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-83.7137.8171.4-62.50000109.6V329 Q330 G333 T334 C335V329-S368 WeakPolarHBondContact CA-O 3.36Å; Q330-S368 PolarHBondContact N-O 3.3Å; Q330-S368 PolarHBondContact O-N 3.01Å; Q330-S368 VanDerWaalsContact O-N 3.09Å; G333-S368 WeakPolarHBondContact O-CB 3.32Å; G333-S368 PolarHBondContact O-OG 3.32Å; T334-S368 WeakPolarHBondContact CA-OG 3.48Å; C335-S368 PolarHBondContact SG-O 2.84Å
369I93.8Very high88.7Confident1 Ų139.5 Ų39.51%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-137.9128.4-168.2-54.8157.3000109.4L251 V253 C328 V329 Y352 G354 I356 L380L251-I369 HydrophobicContact CD2-CD1 3.4Å; L251-I369 HydrophobicContact CD2-CG1 4.01Å; V253-I369 HydrophobicContact CG1-CG2 3.86Å; C328-I369 CarbonylContact O-C 3.41Å; C328-I369 WeakPolarHBondContact O-CA 3.15Å; V329-I369 HydrophobicContact CG2-CG1 4.4Å; Y352-I369 HydrophobicContact CD1-CB 4.35Å; Y352-I369 HydrophobicContact CD1-CG2 4.01Å; Y352-I369 HydrophobicContact CE1-CB 3.95Å; Y352-I369 HydrophobicContact CE1-CG2 3.99Å; G354-I369 PolarHBondContact N-O 2.94Å; G354-I369 PolarHBondContact O-N 3.17Å; I356-I369 HydrophobicContact CB-CD1 4.3Å; I356-I369 HydrophobicContact CD1-CD1 3.67Å; I356-I369 HydrophobicContact CG1-CD1 3.7Å; I369-L380 HydrophobicContact CD1-CD1 3.94Å; I369-L380 HydrophobicContact CG2-CD1 3.95Å
370Q93.6Very high88.6Confident14 Ų1437.9 Ų37.97%0.06525%0.249CC..EExtended strand (participates in β ladder)trans-127.2139.4167-68.5175.4-29.300108.8P326 T327 C328 C335 S339 Y352 D353P326-Q370 HydrophobicContact CB-CB 4.32Å; P326-Q370 HydrophobicContact CG-CB 4.3Å; P326-Q370 CarbonylContact O-C 3.58Å; T327-Q370 WeakPolarHBondContact CA-O 3.4Å; C328-Q370 HydrophobicContact CB-CB 4.25Å; C328-Q370 PolarHBondContact N-O 3.34Å; C328-Q370 PolarHBondContact O-N 3.16Å; C335-Q370 HydrophobicContact CB-CG 3.91Å; S339-Q370 PolarHBondContact OG-OE1 2.96Å; Y352-Q370 VanDerWaalsContact O-CA 3.3Å; Y352-Q370 WeakPolarHBondContact O-CA 3.43Å; D353-Q370 HydrophobicContact CB-CG 4.44Å; D353-Q370 PolarHBondContact OD2-NE2 2.04Å
371G93.6Very high88.5Confident0 Ų036.8 Ų36.80%024%0.237CC..EExtended strand (participates in β ladder)trans176.3-17617800000114.2P326 C351 Y352P326-G371 WeakPolarHBondContact O-CA 3.18Å; P326-G371 PolarHBondContact O-N 3.49Å; C351-G371 WeakPolarHBondContact CA-O 2.99Å; Y352-G371 PolarHBondContact N-O 2.92Å; Y352-G371 PolarHBondContact O-N 3.25Å
372C93.2Very high88.4Confident2 Ų241 Ų411%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-85.8141.4179.5-580000111.4G284 V285 C344 A348 H350G284-C372 CarbonylContact C-O 3.58Å; G284-C372 WeakPolarHBondContact CA-O 3.4Å; V285-C372 PolarHBondContact N-O 2.91Å; C344-C372 WeakPolarHBondContact CA-SG 3.11Å; C344-C372 HydrophobicContact CB-CB 3.64Å; C344-C372 WeakPolarHBondContact CB-SG 3.49Å; C344-C372 WeakPolarHBondContact SG-CB 3.34Å; C344-C372 CovalentContact SG-SG 2.04Å; C344-C372 PolarHBondContact SG-SG 2.79Å; A348-C372 HydrophobicContact CB-CB 3.86Å; H350-C372 WeakPolarHBondContact O-CA 2.99Å
373V92.8Very high88.2Confident14 Ų1442.3 Ų42.39%0.08524%0.237CC..EExtended strand (participates in β ladder)trans-136.9148.5174.6-68.20000111.6A348 T349 H350 Y352 Q375 L380A348-V373 CarbonylContact C-O 3.59Å; A348-V373 WeakPolarHBondContact CA-O 3.03Å; T349-V373 PolarHBondContact N-O 3.13Å; H350-V373 HydrophobicContact CB-CG2 3.91Å; H350-V373 PolarHBondContact N-O 3.44Å; H350-V373 VanDerWaalsContact N-O 3.13Å; H350-V373 PolarHBondContact O-N 3.26Å; Y352-V373 HydrophobicContact CG-CG1 4.42Å; V373-Q375 WeakPolarHBondContact CG2-O 3.02Å; V373-L380 HydrophobicContact CG1-CD2 3.98Å
374A89Confident88.2Confident43 Ų4343.7 Ų43.736%0.35525%0.247SC..SBendtrans-65.7-47.7-178.500000112.8G347 T349 H350G347-A374 WeakPolarHBondContact O-CA 3.33Å; T349-A374 PolarHBondContact OG1-O 2.89Å; H350-A374 PolarHBondContact ND1-O 3.47Å
375Q84.2Confident88.1Confident154 Ų15447.3 Ų47.372%0.7225%0.248SC*.SBendtrans-117.1151.6179.8-64.7-174.85.400110.1V373 S377V373-Q375 WeakPolarHBondContact CG2-O 3.02Å; Q375-S377 PolarHBondContact O-N 2.91Å
376P78Confident88.1Confident102 Ų10254.4 Ų54.466%0.66228%0.281SS*.  trans-68.287172.727.3-28.6000109.1
377S71.5Confident88.1Confident56 Ų5650.6 Ų50.639%0.39227%0.265SS..  trans-112.5141.6173.7179.10000109.5Q375 F379Q375-S377 PolarHBondContact O-N 2.91Å; S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact OG-N 2.85Å; S377-F379 PolarHBondContact OG-O 3.36Å
378S71Confident88Confident34 Ų3451.2 Ų51.224%0.23827%0.272CS..SBendtrans-88.41.3168.253.50000113.4
379F85.1Confident88Confident41 Ų4152.6 Ų52.618%0.1828%0.278CS..  trans-129.5120.7-173.9-55.9-78.7000110S377 H383 E394 R396S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact OG-N 2.85Å; S377-F379 PolarHBondContact OG-O 3.36Å; F379-H383 AromaticContact CD1-CE1 3.99Å; F379-H383 AromaticContact CD1-ND1 3.94Å; F379-H383 AromaticContact CD2-CE1 3.41Å; F379-H383 VanDerWaalsContact CD2-CE1 3.41Å; F379-H383 WeakPolarHBondContact CD2-CE1 3.25Å; F379-H383 AromaticContact CD2-NE2 3.77Å; F379-H383 AromaticContact CE1-CE1 3.85Å; F379-H383 AromaticContact CE1-ND1 3.87Å; F379-H383 AromaticContact CE2-CE1 3.25Å; F379-H383 WeakPolarHBondContact CE2-CE1 3.05Å; F379-H383 AromaticContact CE2-NE2 3.95Å; F379-H383 AromaticContact CG-CE1 3.79Å; F379-H383 AromaticContact CZ-CE1 3.49Å; F379-H383 VanDerWaalsContact CZ-CE1 3.49Å; F379-H383 WeakPolarHBondContact CZ-CE1 3.42Å; F379-H383 AromaticContact CZ-ND1 3.95Å; F379-E394 VanDerWaalsContact CA-OE2 3.29Å; F379-E394 WeakPolarHBondContact CA-OE2 3.42Å; F379-E394 VanDerWaalsContact CB-OE2 3.28Å; F379-E394 WeakPolarHBondContact CB-OE2 3.03Å; F379-E394 HydrophobicContact CD1-CB 4.22Å; F379-E394 WeakPolarHBondContact CD1-OE2 3.43Å; F379-R396 HydrophobicContact CE1-CB 4.24Å; F379-R396 HydrophobicContact CZ-CB 4.14Å
380L91.1Very high88Confident6 Ų652.6 Ų52.63%0.03128%0.278CS..SBendtrans-87.8-24.4170-68.9175.5000111.6H279 S280 V285 V287 Y352 I356 I369 V373 E394H279-L380 CarbonylContact C-O 3.52Å; S280-L380 WeakPolarHBondContact CB-O 3.16Å; V285-L380 HydrophobicContact CB-CD2 4.18Å; V285-L380 HydrophobicContact CG1-CD1 3.98Å; V285-L380 HydrophobicContact CG1-CD2 4.13Å; V287-L380 HydrophobicContact CG2-CB 4.19Å; V287-L380 HydrophobicContact CG2-CD1 4.32Å; Y352-L380 HydrophobicContact CD1-CD1 3.87Å; Y352-L380 HydrophobicContact CD1-CG 4.27Å; Y352-L380 HydrophobicContact CD2-CD2 4.34Å; Y352-L380 HydrophobicContact CD2-CG 4.25Å; Y352-L380 HydrophobicContact CE1-CD1 3.42Å; Y352-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y352-L380 HydrophobicContact CE1-CG 3.88Å; Y352-L380 HydrophobicContact CE2-CD1 4.35Å; Y352-L380 HydrophobicContact CE2-CD2 4.45Å; Y352-L380 HydrophobicContact CE2-CG 3.88Å; Y352-L380 HydrophobicContact CG-CD1 4.49Å; Y352-L380 HydrophobicContact CG-CD2 4.38Å; Y352-L380 HydrophobicContact CG-CG 4.43Å; I356-L380 HydrophobicContact CD1-CB 4.5Å; I369-L380 HydrophobicContact CD1-CD1 3.94Å; I369-L380 HydrophobicContact CG2-CD1 3.95Å; V373-L380 HydrophobicContact CG1-CD2 3.98Å; L380-E394 PolarHBondContact N-OE1 3.22Å; L380-E394 PolarHBondContact N-OE2 3.11Å
381L90.9Very high88Confident0 Ų054 Ų540%029%0.289CS..SBendtrans-92.92.2179.8-60.6-178.2000113.2H279 V287 I356 H383 T384 I387 A392 E394H279-L381 HydrophobicContact CB-CD2 3.84Å; V287-L381 HydrophobicContact CG1-CD2 3.68Å; I356-L381 HydrophobicContact CD1-CD1 4.02Å; I356-L381 HydrophobicContact CD1-CD2 4.08Å; I356-L381 HydrophobicContact CD1-CG 3.86Å; I356-L381 HydrophobicContact CG1-CD1 4.4Å; I356-L381 HydrophobicContact CG2-CD1 3.91Å; L381-H383 VanDerWaalsContact C-N 3.25Å; L381-H383 PolarHBondContact O-N 2.61Å; L381-T384 WeakPolarHBondContact O-CB 3.46Å; L381-T384 PolarHBondContact O-N 2.03Å; L381-T384 PolarHBondContact O-OG1 2.04Å; L381-I387 HydrophobicContact CD1-CD1 4.08Å; L381-I387 HydrophobicContact CD2-CD1 3.92Å; L381-A392 HydrophobicContact CD1-CB 3.52Å; L381-E394 HydrophobicContact CB-CG 4.48Å; L381-E394 WeakPolarHBondContact CB-OE2 3.24Å; L381-E394 HydrophobicContact CD1-CG 4.24Å; L381-E394 HydrophobicContact CG-CG 4.37Å; L381-E394 PolarHBondContact N-OE1 2.88Å; L381-E394 PolarHBondContact N-OE2 3.28Å; L381-E394 VanDerWaalsContact N-OE2 3.11Å
382N84.3Confident88.1Confident118 Ų11854 Ų5463%0.63129%0.289SS*.THydrogen-bonded Turntrans4848.6-176.7-169.424.5000112.1T384N382-T384 PolarHBondContact O-N 3.4Å; N382-T384 VanDerWaalsContact O-N 3.16Å
383H83.3Confident88Confident107 Ų10761 Ų6150%0.49532%0.315SS..THydrogen-bonded Turntrans64.411.1-176.9-48.8-77.8000115.9F379 L381 R385F379-H383 AromaticContact CD1-CE1 3.99Å; F379-H383 AromaticContact CD1-ND1 3.94Å; F379-H383 AromaticContact CD2-CE1 3.41Å; F379-H383 VanDerWaalsContact CD2-CE1 3.41Å; F379-H383 WeakPolarHBondContact CD2-CE1 3.25Å; F379-H383 AromaticContact CD2-NE2 3.77Å; F379-H383 AromaticContact CE1-CE1 3.85Å; F379-H383 AromaticContact CE1-ND1 3.87Å; F379-H383 AromaticContact CE2-CE1 3.25Å; F379-H383 WeakPolarHBondContact CE2-CE1 3.05Å; F379-H383 AromaticContact CE2-NE2 3.95Å; F379-H383 AromaticContact CG-CE1 3.79Å; F379-H383 AromaticContact CZ-CE1 3.49Å; F379-H383 VanDerWaalsContact CZ-CE1 3.49Å; F379-H383 WeakPolarHBondContact CZ-CE1 3.42Å; F379-H383 AromaticContact CZ-ND1 3.95Å; L381-H383 VanDerWaalsContact C-N 3.25Å; L381-H383 PolarHBondContact O-N 2.61Å; H383-R385 PolarHBondContact O-N 2.77Å; H383-R385 VanDerWaalsContact O-N 3.12Å
384T90.1Very high87.9Confident50 Ų5060.5 Ų60.531%0.30731%0.312SS..  trans-67.4110.9172.5-56.40000109.6L381 N382 Q386 I387L381-T384 WeakPolarHBondContact O-CB 3.46Å; L381-T384 PolarHBondContact O-N 2.03Å; L381-T384 PolarHBondContact O-OG1 2.04Å; N382-T384 PolarHBondContact O-N 3.4Å; N382-T384 VanDerWaalsContact O-N 3.16Å; T384-Q386 VanDerWaalsContact CG2-O 3.27Å; T384-Q386 WeakPolarHBondContact CG2-O 3.24Å; T384-I387 HydrophobicContact CG2-CG1 4.06Å
385R91.5Very high87.4Confident155 Ų15563 Ų6359%0.58532%0.315SS*.  trans-93.8-10.7-179.9-68.5-177.2173.1-175.1-2.1114H383 S391 A392 D397H383-R385 PolarHBondContact O-N 2.77Å; H383-R385 VanDerWaalsContact O-N 3.12Å; R385-S391 CarbonylContact O-C 3.49Å; R385-S391 WeakPolarHBondContact O-CA 3.41Å; R385-A392 WeakPolarHBondContact CA-O 3.31Å; R385-A392 PolarHBondContact O-N 2.97Å; R385-D397 IonicContact CZ-OD1 2.7Å; R385-D397 IonicContact NE-OD1 3.94Å; R385-D397 IonicContact NH2-OD1 3.06Å; R385-D397 PolarHBondContact NH2-OD1 3.39Å
386Q92.8Very high86.5Confident151 Ų15164.4 Ų64.471%0.70631%0.314SS*.EExtended strand (participates in β ladder)trans-134.5122.6-177.8-170.5172.40.500110.5T384 F390T384-Q386 VanDerWaalsContact CG2-O 3.27Å; T384-Q386 WeakPolarHBondContact CG2-O 3.24Å; Q386-F390 WeakPolarHBondContact CA-O 3.49Å
387I93.6Very high85.4Confident4 Ų461.6 Ų61.62%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-127.597.6177.4-56.4175.8000107.1T247 L249 S289 T291 L381 T384 I389 F390 A392T247-I387 HydrophobicContact CG2-CG2 4.46Å; L249-I387 HydrophobicContact CD1-CD1 3.93Å; L249-I387 HydrophobicContact CD1-CG2 4.38Å; S289-I387 WeakPolarHBondContact OG-CG2 3.28Å; T291-I387 HydrophobicContact CG2-CG2 4.49Å; L381-I387 HydrophobicContact CD1-CD1 4.08Å; L381-I387 HydrophobicContact CD2-CD1 3.92Å; T384-I387 HydrophobicContact CG2-CG1 4.06Å; I387-I389 PolarHBondContact O-N 2.85Å; I387-I389 VanDerWaalsContact O-N 3.16Å; I387-F390 PolarHBondContact N-O 3.44Å; I387-F390 WeakPolarHBondContact O-CB 3.39Å; I387-F390 PolarHBondContact O-N 3.04Å; I387-A392 HydrophobicContact CD1-CB 4.28Å
388G92.2Very high84.5Confident14 Ų1463 Ų6314%0.14430%0.299CS..THydrogen-bonded Turntrans56.4-121.3-171.800000110.6T291 F390T291-G388 VanDerWaalsContact CG2-CA 3.45Å; G388-F390 VanDerWaalsContact C-N 3.35Å
389I92.7Very high82.8Confident38 Ų3869.5 Ų69.520%0.19533%0.326CS..THydrogen-bonded Turntrans-80.1-13.8177-159.364.4000113.6Q245 T247 T262 I387Q245-I389 HydrophobicContact CG-CB 4.25Å; Q245-I389 HydrophobicContact CG-CD1 4.42Å; Q245-I389 HydrophobicContact CG-CG1 4.33Å; T247-I389 PolarHBondContact OG1-N 3.01Å; T262-I389 HydrophobicContact CG2-CG2 3.36Å; I387-I389 PolarHBondContact O-N 2.85Å; I387-I389 VanDerWaalsContact O-N 3.16Å
390F94.1Very high80.5Confident1 Ų172.1 Ų72.10%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-82.6128.9-178.2-62-53.9000111.5T247 V260 T262 L358 G360 L363 Q386 I387 G388T247-F390 HydrophobicContact CG2-CD2 3.63Å; T247-F390 HydrophobicContact CG2-CE2 3.67Å; V260-F390 HydrophobicContact CG1-CE2 4.33Å; V260-F390 HydrophobicContact CG1-CZ 3.95Å; T262-F390 HydrophobicContact CG2-CE1 3.7Å; T262-F390 HydrophobicContact CG2-CE2 3.84Å; T262-F390 HydrophobicContact CG2-CZ 3.28Å; L358-F390 HydrophobicContact CD2-CB 4.28Å; G360-F390 WeakPolarHBondContact O-CE1 3.42Å; L363-F390 HydrophobicContact CB-CE1 4.12Å; L363-F390 HydrophobicContact CD2-CE1 4.03Å; L363-F390 HydrophobicContact CD2-CZ 4.15Å; Q386-F390 WeakPolarHBondContact CA-O 3.49Å; I387-F390 PolarHBondContact N-O 3.44Å; I387-F390 WeakPolarHBondContact O-CB 3.39Å; I387-F390 PolarHBondContact O-N 3.04Å; G388-F390 VanDerWaalsContact C-N 3.35Å
391S94.2Very high77.9Confident43 Ų4377.7 Ų77.730%0.30138%0.383SS..EExtended strand (participates in β ladder)trans-79.9123.8153.5162.80000108.4L358 S359 R385L358-S391 WeakPolarHBondContact CA-O 3.36Å; S359-S391 PolarHBondContact N-O 3Å; S359-S391 PolarHBondContact O-N 3.09Å; R385-S391 CarbonylContact O-C 3.49Å; R385-S391 WeakPolarHBondContact O-CA 3.41Å
392A94Very high75.2Confident1 Ų182.1 Ų82.11%0.00842%0.42CS..EExtended strand (participates in β ladder)trans-112.5136178.800000110.8I356 H357 L358 L381 R385 I387I356-A392 HydrophobicContact CG2-CB 4.43Å; H357-A392 CarbonylContact O-C 3.6Å; H357-A392 WeakPolarHBondContact O-CA 3.37Å; L358-A392 HydrophobicContact CD2-CB 3.78Å; L381-A392 HydrophobicContact CD1-CB 3.52Å; R385-A392 WeakPolarHBondContact CA-O 3.31Å; R385-A392 PolarHBondContact O-N 2.97Å; I387-A392 HydrophobicContact CD1-CB 4.28Å
393R92.1Very high72.8Confident149 Ų14981.3 Ų81.356%0.56242%0.423SS*.EExtended strand (participates in β ladder)trans-133.9134.2175.7-62.5-175.7-175.8-1710.7110.5H357 D397H357-R393 HydrophobicContact CB-CB 4.47Å; H357-R393 PolarHBondContact N-O 2.82Å; H357-R393 PolarHBondContact O-N 3.15Å; R393-D397 HydrophobicContact CB-CB 4.44Å
394E90.3Very high70.4Confident3 Ų385.1 Ų85.11%0.01444%0.441CS..EExtended strand (participates in β ladder)trans-101.5164.4178.5-58.7-165.49200111.6Y355 I356 F379 L380 L381 R396 D397Y355-E394 WeakPolarHBondContact O-CA 3.5Å; I356-E394 HydrophobicContact CG1-CG 4.23Å; F379-E394 VanDerWaalsContact CA-OE2 3.29Å; F379-E394 WeakPolarHBondContact CA-OE2 3.42Å; F379-E394 VanDerWaalsContact CB-OE2 3.28Å; F379-E394 WeakPolarHBondContact CB-OE2 3.03Å; F379-E394 HydrophobicContact CD1-CB 4.22Å; F379-E394 WeakPolarHBondContact CD1-OE2 3.43Å; L380-E394 PolarHBondContact N-OE1 3.22Å; L380-E394 PolarHBondContact N-OE2 3.11Å; L381-E394 HydrophobicContact CB-CG 4.48Å; L381-E394 WeakPolarHBondContact CB-OE2 3.24Å; L381-E394 HydrophobicContact CD1-CG 4.24Å; L381-E394 HydrophobicContact CG-CG 4.37Å; L381-E394 PolarHBondContact N-OE1 2.88Å; L381-E394 PolarHBondContact N-OE2 3.28Å; L381-E394 VanDerWaalsContact N-OE2 3.11Å; E394-R396 PolarHBondContact O-N 3.27Å; E394-D397 PolarHBondContact N-OD2 3.46Å; E394-D397 VanDerWaalsContact N-OD2 3.15Å; E394-D397 PolarHBondContact O-N 3.16Å
395K78.9Confident67.8Low95 Ų9591.6 Ų91.641%0.41347%0.468SS..THydrogen-bonded Turntrans-45.5-29.8-173.2179.2169.1175.4-1770116.3D353 Y355D353-K395 PolarHBondContact O-NZ 2.79Å; D353-K395 VanDerWaalsContact O-NZ 3.09Å; D353-K395 IonicContact OD1-NZ 2.75Å; D353-K395 PolarHBondContact OD1-NZ 2.9Å; Y355-K395 HydrophobicContact CD1-CB 3.79Å; Y355-K395 HydrophobicContact CD1-CD 4.15Å; Y355-K395 HydrophobicContact CD1-CG 3.99Å; Y355-K395 HydrophobicContact CE1-CB 3.6Å; Y355-K395 HydrophobicContact CE1-CD 4.21Å; Y355-K395 HydrophobicContact CE1-CG 3.61Å; Y355-K395 HydrophobicContact CG-CB 4.41Å; Y355-K395 PolarHBondContact O-N 3.26Å
396R65.2Low64.9Low185 Ų18593.4 Ų93.470%0.69848%0.483SS*.THydrogen-bonded Turntrans-99.3-2.6-179.7-68.6-163.6-172.2-173.35.5115.4F379 E394 V398F379-R396 HydrophobicContact CE1-CB 4.24Å; F379-R396 HydrophobicContact CZ-CB 4.14Å; E394-R396 PolarHBondContact O-N 3.27Å; R396-V398 PolarHBondContact O-N 3.03Å
397D55.6Low61.9Low43 Ų4390.1 Ų90.123%0.2349%0.49CS..SBendtrans-74.6-8.9170.6-73.9-49.7000112.4R385 R393 E394 Q399R385-D397 IonicContact CZ-OD1 2.7Å; R385-D397 IonicContact NE-OD1 3.94Å; R385-D397 IonicContact NH2-OD1 3.06Å; R385-D397 PolarHBondContact NH2-OD1 3.39Å; R393-D397 HydrophobicContact CB-CB 4.44Å; E394-D397 PolarHBondContact N-OD2 3.46Å; E394-D397 VanDerWaalsContact N-OD2 3.15Å; E394-D397 PolarHBondContact O-N 3.16Å; D397-Q399 PolarHBondContact O-N 3.35Å
398V51.4Low58.7Low86 Ų8693.7 Ų93.752%0.52153%0.528SS..SBendtrans-80.5101171.6-177.30000108.1Y355 R396Y355-V398 WeakPolarHBondContact OH-CG2 3.13Å; R396-V398 PolarHBondContact O-N 3.03Å
399Q36.5Very low55.5Low170 Ų17097 Ų9779%0.79456%0.562SS**PPolyproline II helixtrans-53.7126.4166.2-164.481.82.300107.7D397D397-Q399 PolarHBondContact O-N 3.35Å
400P36.8Very low52.3Low96 Ų9699.6 Ų99.662%0.62359%0.589SS**PPolyproline II helixtrans-58.3139169.716-19.8000108.2A402P400-A402 PolarHBondContact O-N 2.82Å
401P35.4Very low49.1Very low122 Ų122109.2 Ų109.279%0.79263%0.634SS**PPolyproline II helixtrans-53133.2168.422.3-29.8000107.4S403P401-S403 PolarHBondContact O-N 3.46Å
402A34.6Very low45.9Very low94 Ų94111 Ų11178%0.77766%0.659SS**PPolyproline II helixtrans-47.8119.8178.600000108.3P400 Q404P400-A402 PolarHBondContact O-N 2.82Å; A402-Q404 PolarHBondContact O-N 2.77Å
403S33.3Very low42.8Very low100 Ų100118.9 Ų118.970%0.69970%0.7SS**  trans-56113.8179.748.70000108.4P401 H405P401-S403 PolarHBondContact O-N 3.46Å; S403-H405 PolarHBondContact O-N 3.31Å; S403-H405 VanDerWaalsContact O-N 3.15Å
404Q33.7Very low39.9Very low187 Ų187120.4 Ų120.487%0.87471%0.714SS**  trans-63114.6161.1-73.5-173.8-11.900106.4A402 E406A402-Q404 PolarHBondContact O-N 2.77Å; Q404-E406 PolarHBondContact O-N 2.74Å; Q404-E406 VanDerWaalsContact O-N 3.1Å
405H34.3Very low37Very low186 Ų186125.3 Ų125.386%0.86175%0.749SS**  trans-60.6107.1167.2-90.9-60000108.5S403S403-H405 PolarHBondContact O-N 3.31Å; S403-H405 VanDerWaalsContact O-N 3.15Å
406E30.4Very low34.9Very low193 Ų193128.7 Ų128.790%0.90277%0.77SS**  trans-91121.9154-88.2-174.1131.300108.4Q404Q404-E406 PolarHBondContact O-N 2.74Å; Q404-E406 VanDerWaalsContact O-N 3.1Å
407G29.9Very low33.4Very low82 Ų82126.7 Ų126.785%0.84578%0.779SS**  trans-86.2165.6-179.500000113.9
408G26.1Very low32.3Very low80 Ų80136.4 Ų136.483%0.82581%0.812SS**  trans125.886.4171.800000110.5
409G25.8Very low31.2Very low84 Ų84136 Ų13687%0.86683%0.825SS**  96.9133.98900000108.8
410A26.8Very low31.2Very low92 Ų92133.4 Ų133.476%0.7682%0.821SS**  cis-160.516011.800000109.8
411E26.6Very low31Very low203 Ų203132.6 Ų132.695%0.94983%0.83SS**  trans68.8122.5153.4-67.9-177.4169.200122
412G25.8Very low31.1Very low80 Ų80133.5 Ų133.583%0.82583%0.827SS**  trans165.359.9172.500000111.1
413L29.4Very low31.1Very low167 Ų167134 Ų13487%0.87483%0.831SS**  trans-62.1126.3177-173.884.2000110.6
414E30.1Very low31.3Very low180 Ų180136.8 Ų136.884%0.84184%0.838SS**  trans-158.5123.9139.3-82.8-145153.100112.8
415S30.3Very low31.5Very low107 Ų107132.3 Ų132.375%0.74883%0.833SS**  trans64.192.7147.653.70000122.1
416L34.1Very low32Very low165 Ų165129.5 Ų129.586%0.86483%0.831SS**  trans-72.6130.9149.7-83148.8000110.7
417T33.9Very low32.4Very low144 Ų144124.9 Ų124.988%0.88383%0.826SS**  trans-131.7138.2147.146.20000110.7
418W32Very low32.7Very low246 Ų246128.5 Ų128.593%0.93283%0.825SS**  trans-71.6155.3-166.1-91.99.4000116
419G30.2Very low33.1Very low77 Ų77136.2 Ų136.279%0.79483%0.829SS**  trans-167.266158.200000111.7
420V36.7Very low33.4Very low116 Ų116143.5 Ų143.570%0.70383%0.831SS**  trans-80.3115172173.70000109L422V420-L422 HydrophobicContact CG1-CD1 4.04Å; V420-L422 HydrophobicContact CG1-CG 4.5Å
421G32.2Very low33.8Very low79 Ų79142.5 Ų142.581%0.81483%0.83SS**  trans-116.992.6165.700000109.9
422L37.1Very low34.3Very low141 Ų141139.6 Ų139.674%0.73883%0.825SS**  trans-78.6129.3170.1-103.4143.8000109.6V420 L424V420-L422 HydrophobicContact CG1-CD1 4.04Å; V420-L422 HydrophobicContact CG1-CG 4.5Å; L422-L424 HydrophobicContact CD2-CD1 4.43Å; L422-L424 HydrophobicContact CD2-CG 4.27Å
423A34.8Very low34.9Very low104 Ų104141.6 Ų141.686%0.8682%0.821SS**  trans-130.2102.3160.200000109.1
424L37.7Very low35.2Very low159 Ų159139 Ų13983%0.83282%0.816SS**  trans-88.8136.9164.6-76.6161.8000108.8L422L422-L424 HydrophobicContact CD2-CD1 4.43Å; L422-L424 HydrophobicContact CD2-CG 4.27Å
425A36.9Very low36.3Very low94 Ų94136 Ų13678%0.77781%0.812SS**  trans-169.2163.8144.600000110.1
426P44.5Very low36.8Very low126 Ų126136.3 Ų136.382%0.81881%0.814SS**  -125.8173.2-105.9230.8000114
427A40Very low37.1Very low96 Ų96138.4 Ų138.479%0.79384%0.84SS**  trans-67.6141.8167.900000112.1
428L36.1Very low37.2Very low158 Ų158138.2 Ų138.283%0.82784%0.838SS**  trans-128.8104.8161.1-100.3158.2000108.6
429W34.6Very low37.5Very low242 Ų242132.5 Ų132.592%0.91783%0.833SS**  trans-61.1134.8160.4-87.9-15000111
430W32.1Very low37.9Very low238 Ų238135.6 Ų135.690%0.90284%0.836SS**  trans-142.6115.4138.5-80.374.1000108.1
431G34.6Very low38Very low71 Ų71136.7 Ų136.773%0.73284%0.843SS**  trans-91.6147164.800000110.1
432V36.4Very low38.3Very low142 Ų142140.3 Ų140.386%0.86185%0.845SS**  trans-145.4139.6151-178.50000108.5
433V38.4Very low38.4Very low122 Ų122140.3 Ų140.374%0.73985%0.852SS**  trans-102146.4-171163.20000110.3
434C36.1Very low38.7Very low112 Ų112142.9 Ų142.976%0.75785%0.852SS**  trans76163.7152-850000121.8
435P54.3Low38.8Very low117 Ų117141.6 Ų141.676%0.7685%0.853SS**  cis-135.1177.1-11.227.6-4000115.9
436S40Very low38.9Very low113 Ų113145.6 Ų145.679%0.7986%0.86SS**  trans-58150.1173.5-32.10000116.3
437C40.1Very low38.4Very low210 Ų210147.4 Ų147.4100%1.41986%0.863SS**  trans-138.10136.1-81.20000107.7

Retrieved 437 of 437 residues in 332.9 ms (Link to these results)