ACUI_ECOLI Loading...

Probable acrylyl-CoA reductase AcuI

Probably catalyzes the NADPH-dependent reduction of acrylyl-CoA to propanoyl-CoA.

AlphaFold DB , UniProt , Accession P26646, Species ECOLI (Escherichia coli (strain K12)), Gene acuI, Length 324 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M95.7Very high95.7Very high33 Ų3356.6 Ų56.616%0.16331%0.305CS..  0143.3069.981.417300109A3 L20 L25 I60 A99 E100 Q101M1-A3 HydrophobicContact CE-CB 4.06Å; M1-A3 HydrophobicContact SD-CB 3.87Å; M1-L20 HydrophobicContact CE-CB 3.99Å; M1-L20 HydrophobicContact CE-CD1 4.08Å; M1-L20 PolarHBondContact N-O 3.38Å; M1-L20 PolarHBondContact O-N 2.86Å; M1-L20 HydrophobicContact SD-CB 4.45Å; M1-L25 HydrophobicContact CE-CD2 3.74Å; M1-L25 HydrophobicContact CE-CG 4.41Å; M1-I60 HydrophobicContact CE-CD1 3.94Å; M1-A99 HydrophobicContact CE-CB 4.28Å; M1-A99 HydrophobicContact SD-CB 4.09Å; M1-E100 WeakPolarHBondContact CA-OE2 3.24Å; M1-E100 HydrophobicContact CB-CB 4.09Å; M1-Q101 HydrophobicContact CB-CG 4.41Å; M1-Q101 HydrophobicContact CG-CB 4.46Å
2Q97.9Very high95.5Very high68 Ų6864.7 Ų64.732%0.31834%0.335SS..EExtended strand (participates in β ladder)trans-82.4137.2175.1-67.5-74.871.700110.8V17 Q18 T19 A99 E100Q2-V17 HydrophobicContact CB-CG1 4.43Å; Q2-Q18 WeakPolarHBondContact CA-O 3.42Å; Q2-Q18 VanDerWaalsContact OE1-C 3.29Å; Q2-Q18 PolarHBondContact OE1-O 2.83Å; Q2-T19 VanDerWaalsContact OE1-N 3.16Å; Q2-T19 PolarHBondContact OE1-OG1 3.23Å; Q2-A99 WeakPolarHBondContact O-CA 3.47Å; Q2-E100 HydrophobicContact CB-CG 4.18Å; Q2-E100 VanDerWaalsContact N-CD 3.29Å; Q2-E100 PolarHBondContact N-OE2 3.48Å; Q2-E100 PolarHBondContact O-N 3.47Å
3A98.4Very high95.6Very high0 Ų061.8 Ų61.80%032%0.322CS..EExtended strand (participates in β ladder)trans-146.3149.6177.800000112.1M1 L5 V17 Q18 L20 I60 A99M1-A3 HydrophobicContact CE-CB 4.06Å; M1-A3 HydrophobicContact SD-CB 3.87Å; A3-L5 PolarHBondContact O-N 2.91Å; A3-V17 CarbonylContact O-C 3.59Å; A3-V17 VanDerWaalsContact O-CA 3.29Å; A3-V17 WeakPolarHBondContact O-CA 3.14Å; A3-Q18 PolarHBondContact N-O 3.19Å; A3-Q18 PolarHBondContact O-N 3.35Å; A3-L20 HydrophobicContact CB-CD1 3.88Å; A3-L20 HydrophobicContact CB-CG 4.39Å; A3-I60 HydrophobicContact CB-CD1 3.68Å; A3-I60 HydrophobicContact CB-CG1 4.19Å; A3-A99 HydrophobicContact CB-CB 3.52Å
4L98.6Very high95.7Very high0 Ų062.9 Ų62.90%033%0.328CS..EExtended strand (participates in β ladder)trans-78.4110.9164.5-177.466.8000108.5A15 V17 I47 P61 L98 L300 A303 P304L4-A15 HydrophobicContact CD1-CB 4.21Å; L4-V17 HydrophobicContact CD1-CG2 4.16Å; L4-I47 HydrophobicContact CD2-CD1 3.93Å; L4-I47 HydrophobicContact CD2-CG1 4.05Å; L4-P61 HydrophobicContact CD2-CG 3.88Å; L4-P61 HydrophobicContact CG-CG 4.24Å; L4-P61 WeakPolarHBondContact O-CD 3.46Å; L4-L98 HydrophobicContact CB-CB 4.11Å; L4-L98 HydrophobicContact CD2-CD1 4.08Å; L4-L98 PolarHBondContact N-O 3.11Å; L4-L300 HydrophobicContact CB-CD1 3.92Å; L4-L300 HydrophobicContact CB-CG 4.42Å; L4-A303 HydrophobicContact CD2-CB 4.05Å; L4-P304 HydrophobicContact CD1-CG 3.92Å
5L98.3Very high95.8Very high1 Ų160.8 Ų60.81%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-99.6130177.1-16168000110.1A3 E7 A15 S16 Q18 L20 P58 I60 W95A3-L5 PolarHBondContact O-N 2.91Å; L5-E7 HydrophobicContact CD2-CG 3.98Å; L5-E7 HydrophobicContact CG-CG 4.19Å; L5-A15 WeakPolarHBondContact O-CA 3.28Å; L5-S16 PolarHBondContact N-O 2.87Å; L5-S16 PolarHBondContact O-N 2.59Å; L5-Q18 HydrophobicContact CB-CG 4.33Å; L5-L20 HydrophobicContact CD1-CD1 4.21Å; L5-P58 HydrophobicContact CD1-CB 3.95Å; L5-P58 HydrophobicContact CD2-CB 4.13Å; L5-P58 HydrophobicContact CG-CB 4.09Å; L5-I60 HydrophobicContact CD1-CG1 4.02Å; L5-W95 HydrophobicContact CD1-CZ2 4.39Å
6L98.3Very high95.9Very high0 Ų059.9 Ų59.90%032%0.323CS..EExtended strand (participates in β ladder)trans-96.2125.2167.2-53.4-175.9000109T13 L14 A15 A46 I47 I54 F57 P58 M59 P61L6-T13 HydrophobicContact CB-CG2 4.1Å; L6-T13 HydrophobicContact CD1-CG2 4.4Å; L6-T13 HydrophobicContact CD2-CG2 4.19Å; L6-T13 HydrophobicContact CG-CG2 4.46Å; L6-L14 WeakPolarHBondContact CA-O 3.26Å; L6-A15 HydrophobicContact CD2-CB 3.44Å; L6-A15 VanDerWaalsContact CD2-CB 3.44Å; L6-A46 HydrophobicContact CD1-CB 4.4Å; L6-A46 WeakPolarHBondContact CD1-O 3.41Å; L6-I47 HydrophobicContact CD2-CB 4.47Å; L6-I47 HydrophobicContact CD2-CG1 4.34Å; L6-I54 HydrophobicContact CD1-CG1 4.16Å; L6-F57 HydrophobicContact CB-CD1 4.22Å; L6-F57 HydrophobicContact CB-CE1 3.99Å; L6-F57 WeakPolarHBondContact O-CD1 3.33Å; L6-P58 CarbonylContact O-C 3.08Å; L6-P58 VanDerWaalsContact O-CA 3.26Å; L6-P58 WeakPolarHBondContact O-CA 3.32Å; L6-M59 HydrophobicContact CB-CB 4.37Å; L6-M59 WeakPolarHBondContact CB-O 3.42Å; L6-M59 PolarHBondContact N-O 2.71Å; L6-M59 PolarHBondContact O-N 2.68Å; L6-P61 HydrophobicContact CD1-CB 3.84Å; L6-P61 HydrophobicContact CD1-CG 3.81Å; L6-P61 HydrophobicContact CD2-CG 4.12Å; L6-P61 HydrophobicContact CG-CB 4.35Å; L6-P61 HydrophobicContact CG-CG 3.78Å
7E97.5Very high96.1Very high83 Ų8359.3 Ų59.339%0.38832%0.322SS..EExtended strand (participates in β ladder)trans-122.2165.2173.1-64.1-178.797.800109.2L5 T13 L14 Q18 P58L5-E7 HydrophobicContact CD2-CG 3.98Å; L5-E7 HydrophobicContact CG-CG 4.19Å; E7-T13 CarbonylContact O-C 3.48Å; E7-T13 WeakPolarHBondContact O-CA 3.49Å; E7-L14 PolarHBondContact N-O 2.92Å; E7-L14 PolarHBondContact O-N 3.01Å; E7-Q18 PolarHBondContact OE2-NE2 3.06Å; E7-P58 HydrophobicContact CG-CB 4.25Å
8Q94.1Very high96.2Very high109 Ų10958.9 Ų58.951%0.50932%0.318SS..EExtended strand (participates in β ladder)trans-124127.9178.5-165.7174.940.700110.8G11 K12 F57Q8-G11 PolarHBondContact NE2-O 3.06Å; Q8-K12 WeakPolarHBondContact CA-O 3.47Å; Q8-F57 HydrophobicContact CB-CB 4.44Å; Q8-F57 HydrophobicContact CB-CD1 4.17Å; Q8-F57 HydrophobicContact CB-CD2 4.04Å; Q8-F57 HydrophobicContact CB-CE1 4.44Å; Q8-F57 HydrophobicContact CB-CE2 4.33Å; Q8-F57 HydrophobicContact CB-CG 3.96Å
9Q93.7Very high96.2Very high119 Ų11961.7 Ų61.756%0.55634%0.337SS*.EExtended strand (participates in β ladder)trans-133.1126.5173.9-173.5177.45.300108.8G11 K12 L14Q9-G11 PolarHBondContact O-N 3.12Å; Q9-G11 VanDerWaalsContact O-N 3.13Å; Q9-K12 PolarHBondContact N-O 2.81Å; Q9-K12 WeakPolarHBondContact O-CB 3.45Å; Q9-K12 PolarHBondContact O-N 3Å; Q9-L14 HydrophobicContact CB-CD1 3.82Å
10D91.3Very high96.2Very high151 Ų15159 Ų5981%0.80732%0.322SS*.THydrogen-bonded Turntrans50.838.7-179.8-56-40.9000113.8K12D10-K12 PolarHBondContact O-N 3.27Å
11G88.7Confident96.2Very high59 Ų5961.1 Ų61.161%0.60833%0.333SS*.THydrogen-bonded Turntrans76-5-178.500000115.2Q8 Q9Q8-G11 PolarHBondContact NE2-O 3.06Å; Q9-G11 PolarHBondContact O-N 3.12Å; Q9-G11 VanDerWaalsContact O-N 3.13Å
12K93.6Very high96.1Very high153 Ų15362.7 Ų62.767%0.66534%0.34SS*.EExtended strand (participates in β ladder)trans-93.6137.6176.2-61.7-180-176.8175.50110.5Q8 Q9 D10Q8-K12 WeakPolarHBondContact CA-O 3.47Å; Q9-K12 PolarHBondContact N-O 2.81Å; Q9-K12 WeakPolarHBondContact O-CB 3.45Å; Q9-K12 PolarHBondContact O-N 3Å; D10-K12 PolarHBondContact O-N 3.27Å
13T96.7Very high96Very high27 Ų2763.9 Ų63.917%0.16636%0.356CS..EExtended strand (participates in β ladder)trans-80.5130.2173-61.50000109.4L6 E7 G49 F57L6-T13 HydrophobicContact CB-CG2 4.1Å; L6-T13 HydrophobicContact CD1-CG2 4.4Å; L6-T13 HydrophobicContact CD2-CG2 4.19Å; L6-T13 HydrophobicContact CG-CG2 4.46Å; E7-T13 CarbonylContact O-C 3.48Å; E7-T13 WeakPolarHBondContact O-CA 3.49Å; T13-G49 WeakPolarHBondContact OG1-CA 3.15Å; T13-F57 HydrophobicContact CG2-CE1 3.98Å; T13-F57 HydrophobicContact CG2-CZ 4.48Å
14L97.1Very high95.9Very high78 Ų7869 Ų6941%0.40838%0.375SS..EExtended strand (participates in β ladder)trans-111.8123.9174.5-59.4178.4000108.1L6 E7 Q9L6-L14 WeakPolarHBondContact CA-O 3.26Å; E7-L14 PolarHBondContact N-O 2.92Å; E7-L14 PolarHBondContact O-N 3.01Å; Q9-L14 HydrophobicContact CB-CD1 3.82Å
15A98Very high95.8Very high31 Ų3169.5 Ų69.526%0.25638%0.378SS..EExtended strand (participates in β ladder)trans-110.2122.9-179.600000109.7L4 L5 L6 I47 P304L4-A15 HydrophobicContact CD1-CB 4.21Å; L5-A15 WeakPolarHBondContact O-CA 3.28Å; L6-A15 HydrophobicContact CD2-CB 3.44Å; L6-A15 VanDerWaalsContact CD2-CB 3.44Å; A15-I47 HydrophobicContact CB-CG2 3.9Å; A15-P304 HydrophobicContact CB-CB 4.41Å; A15-P304 HydrophobicContact CB-CG 4.1Å
16S97.5Very high95.7Very high46 Ų4671.1 Ų71.132%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-146.7144.7178.859.80000111.6L5 Q18L5-S16 PolarHBondContact N-O 2.87Å; L5-S16 PolarHBondContact O-N 2.59Å; S16-Q18 PolarHBondContact OG-NE2 2.84Å
17V98Very high95.6Very high50 Ų5079.8 Ų79.830%0.30343%0.429SS..EExtended strand (participates in β ladder)trans-78.9125172.7-1800000108.7Q2 A3 L4 L300Q2-V17 HydrophobicContact CB-CG1 4.43Å; A3-V17 CarbonylContact O-C 3.59Å; A3-V17 VanDerWaalsContact O-CA 3.29Å; A3-V17 WeakPolarHBondContact O-CA 3.14Å; L4-V17 HydrophobicContact CD1-CG2 4.16Å; V17-L300 HydrophobicContact CG1-CD2 4.11Å; V17-L300 HydrophobicContact CG2-CD2 4.4Å; V17-L300 HydrophobicContact CG2-CG 4Å
18Q97.9Very high95.6Very high53 Ų5377.1 Ų77.125%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-131.8153-176.2-60-173.917.700111Q2 A3 L5 E7 S16 L20Q2-Q18 WeakPolarHBondContact CA-O 3.42Å; Q2-Q18 VanDerWaalsContact OE1-C 3.29Å; Q2-Q18 PolarHBondContact OE1-O 2.83Å; A3-Q18 PolarHBondContact N-O 3.19Å; A3-Q18 PolarHBondContact O-N 3.35Å; L5-Q18 HydrophobicContact CB-CG 4.33Å; E7-Q18 PolarHBondContact OE2-NE2 3.06Å; S16-Q18 PolarHBondContact OG-NE2 2.84Å; Q18-L20 HydrophobicContact CB-CD2 4.13Å
19T97.6Very high95.8Very high111 Ų11174 Ų7468%0.68141%0.411SS*.EExtended strand (participates in β ladder)trans-85.6123.1169.3-52.90000109.5Q2Q2-T19 VanDerWaalsContact OE1-N 3.16Å; Q2-T19 PolarHBondContact OE1-OG1 3.23Å
20L96.2Very high96.1Very high8 Ų868.3 Ų68.34%0.04238%0.384CS..  trans-120.5150.1-180-53.9-174.1000111.3M1 A3 L5 Q18 I60 W95M1-L20 HydrophobicContact CE-CB 3.99Å; M1-L20 HydrophobicContact CE-CD1 4.08Å; M1-L20 PolarHBondContact N-O 3.38Å; M1-L20 PolarHBondContact O-N 2.86Å; M1-L20 HydrophobicContact SD-CB 4.45Å; A3-L20 HydrophobicContact CB-CD1 3.88Å; A3-L20 HydrophobicContact CB-CG 4.39Å; L5-L20 HydrophobicContact CD1-CD1 4.21Å; Q18-L20 HydrophobicContact CB-CD2 4.13Å; L20-I60 HydrophobicContact CD1-CD1 3.98Å; L20-W95 HydrophobicContact CD1-CH2 4.25Å; L20-W95 HydrophobicContact CD1-CZ3 4.09Å
21D96.1Very high96.4Very high104 Ų10461.4 Ų61.456%0.55635%0.347SS*.  trans-77.1140168.5-167-76.8000110.5S23 R24D21-S23 PolarHBondContact O-N 3.37Å; D21-S23 WeakPolarHBondContact OD1-CB 3.45Å; D21-S23 PolarHBondContact OD1-N 2.75Å; D21-S23 PolarHBondContact OD1-OG 3.09Å; D21-R24 WeakPolarHBondContact O-CB 3.48Å; D21-R24 PolarHBondContact O-N 2.84Å
22E93.5Very high96.9Very high66 Ų6658.6 Ų58.631%0.30832%0.319SS..G310 helixtrans-60-28.9-179.4-173.5-176.115100112.3R24 L25 R103E22-R24 PolarHBondContact O-N 2.71Å; E22-R24 VanDerWaalsContact O-N 3.09Å; E22-L25 HydrophobicContact CG-CD1 4.03Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 WeakPolarHBondContact O-CG 3.47Å; E22-L25 PolarHBondContact O-N 2.97Å; E22-R103 IonicContact OE1-NH2 2.67Å
23S95.3Very high97.1Very high92 Ų9253 Ų5364%0.64330%0.296SS*.G310 helixtrans-62.2-15176.1640000113.8D21D21-S23 PolarHBondContact O-N 3.37Å; D21-S23 WeakPolarHBondContact OD1-CB 3.45Å; D21-S23 PolarHBondContact OD1-N 2.75Å; D21-S23 PolarHBondContact OD1-OG 3.09Å
24R96.2Very high97.2Very high108 Ų10851.8 Ų51.841%0.40829%0.288SS..G310 helixtrans-80.1-16174.4-64.8-173.661-172.9-6.1113.6D21 E22 W95D21-R24 WeakPolarHBondContact O-CB 3.48Å; D21-R24 PolarHBondContact O-N 2.84Å; E22-R24 PolarHBondContact O-N 2.71Å; E22-R24 VanDerWaalsContact O-N 3.09Å; R24-W95 HydrophobicContact CB-CH2 4.02Å; R24-W95 HydrophobicContact CB-CZ3 3.99Å; R24-W95 WeakPolarHBondContact O-CZ3 3.33Å
25L96.7Very high97.3Very high10 Ų1050.6 Ų50.65%0.05228%0.28CS..SBendtrans-60.8139.5178.1-69.1179.6000109.9M1 E22 W95 Q101 R103M1-L25 HydrophobicContact CE-CD2 3.74Å; M1-L25 HydrophobicContact CE-CG 4.41Å; E22-L25 HydrophobicContact CG-CD1 4.03Å; E22-L25 WeakPolarHBondContact O-CB 3.43Å; E22-L25 WeakPolarHBondContact O-CG 3.47Å; E22-L25 PolarHBondContact O-N 2.97Å; L25-W95 HydrophobicContact CD2-CE3 4Å; L25-W95 HydrophobicContact CD2-CZ3 4.46Å; L25-Q101 HydrophobicContact CD1-CB 4.04Å; L25-R103 HydrophobicContact CB-CB 4.14Å; L25-R103 HydrophobicContact CD1-CB 4.23Å
26P97Very high97.3Very high36 Ų3650.7 Ų50.723%0.23427%0.274CS..PPolyproline II helixtrans-61.6164.7176.829.3-37.8000111.7H94 W95 R103P26-H94 WeakPolarHBondContact CG-CE1 3.36Å; P26-H94 VanDerWaalsContact CG-NE2 3.27Å; P26-H94 WeakPolarHBondContact CG-NE2 3.49Å; P26-W95 HydrophobicContact CG-CB 3.97Å; P26-W95 HydrophobicContact CG-CG 4.36Å; P26-R103 WeakPolarHBondContact O-CD 3.4Å
27E95.6Very high97.4Very high181 Ų18148.5 Ų48.585%0.84626%0.259SS*.PPolyproline II helixtrans-60.9144.6175.9-66.4-177170.800112.2H94E27-H94 PolarHBondContact O-CE1 2.94Å
28G97.6Very high97.4Very high27 Ų2746.1 Ų46.128%0.27825%0.245SC..  trans179.2158.1176.900000110.3R103 V104G28-R103 WeakPolarHBondContact O-CD 3.28Å; G28-V104 CarbonylContact C-O 3.52Å; G28-V104 WeakPolarHBondContact CA-O 3.22Å
29D98.1Very high97.5Very high44 Ų4443.8 Ų43.824%0.23523%0.234CC..SBendtrans-93.2-5-175.154.412.5000112.7S72 E73 D74 V104 K105 G106D29-S72 CarbonylContact O-C 3.59Å; D29-S72 VanDerWaalsContact O-CA 3.26Å; D29-S72 WeakPolarHBondContact O-CA 3.28Å; D29-S72 PolarHBondContact O-OG 3.35Å; D29-E73 HydrophobicContact CB-CB 4.28Å; D29-E73 PolarHBondContact O-N 3.48Å; D29-D74 HydrophobicContact CB-CB 4.41Å; D29-V104 PolarHBondContact N-O 3.4Å; D29-K105 WeakPolarHBondContact OD1-CA 3.18Å; D29-G106 PolarHBondContact OD1-N 2.84Å; D29-G106 PolarHBondContact OD2-N 2.71Å
30V98.8Very high97.5Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-134.6123.7175.4-170.20000110.2V32 V69 S72 D74 F77 R103 V104 L109V30-V32 HydrophobicContact CG1-CG2 4.01Å; V30-V69 HydrophobicContact CG1-CB 4.5Å; V30-V69 HydrophobicContact CG1-CG1 3.91Å; V30-V69 HydrophobicContact CG1-CG2 3.92Å; V30-S72 WeakPolarHBondContact CG2-OG 3.33Å; V30-D74 HydrophobicContact CG2-CB 4.21Å; V30-F77 HydrophobicContact CG1-CB 4.48Å; V30-F77 HydrophobicContact CG2-CB 4.26Å; V30-F77 HydrophobicContact CG2-CD2 3.85Å; V30-F77 HydrophobicContact CG2-CG 4.23Å; V30-R103 WeakPolarHBondContact O-CA 3.21Å; V30-V104 PolarHBondContact N-O 2.8Å; V30-V104 VanDerWaalsContact N-O 3.09Å; V30-V104 PolarHBondContact O-N 2.56Å; V30-L109 HydrophobicContact CB-CD1 3.74Å; V30-L109 HydrophobicContact CG1-CD1 3.53Å; V30-L109 HydrophobicContact CG2-CD1 3.9Å
31T98.7Very high97.5Very high6 Ų642.9 Ų42.94%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-102.2130.7169.7-56.10000109.3R70 T71 A102 R103T31-R70 HydrophobicContact CG2-CB 4.45Å; T31-R70 PolarHBondContact O-N 3.27Å; T31-T71 WeakPolarHBondContact CB-OG1 3.5Å; T31-T71 PolarHBondContact N-O 3.02Å; T31-T71 PolarHBondContact O-N 3.3Å; T31-A102 WeakPolarHBondContact CA-O 3.27Å; T31-R103 PolarHBondContact OG1-NE 3.32Å; T31-R103 VanDerWaalsContact OG1-NE 3.11Å
32V98.8Very high97.6Very high0 Ų040.5 Ų40.50%020%0.203CC..EExtended strand (participates in β ladder)trans-121131.5-174.9-178.40000109.5V30 V34 F65 T68 V83 Q101 A102 L109V30-V32 HydrophobicContact CG1-CG2 4.01Å; V32-V34 PolarHBondContact O-N 3.09Å; V32-F65 HydrophobicContact CB-CE2 4.19Å; V32-F65 HydrophobicContact CG1-CD2 4.32Å; V32-F65 HydrophobicContact CG1-CE2 4.11Å; V32-F65 HydrophobicContact CG2-CE2 4.15Å; V32-T68 CarbonylContact C-O 3.57Å; V32-T68 WeakPolarHBondContact CA-O 3.49Å; V32-V83 HydrophobicContact CG1-CG2 3.92Å; V32-V83 HydrophobicContact CG2-CG2 3.83Å; V32-Q101 VanDerWaalsContact O-CA 3.32Å; V32-Q101 WeakPolarHBondContact O-CA 3.34Å; V32-A102 PolarHBondContact N-O 2.87Å; V32-A102 PolarHBondContact O-N 2.94Å; V32-L109 HydrophobicContact CG2-CD1 4.37Å; V32-L109 HydrophobicContact CG2-CD2 4.48Å
33D98.7Very high97.8Very high36 Ų3637.3 Ų37.319%0.19319%0.188CC..EExtended strand (participates in β ladder)trans-79109.3164-72.2-31.7000108.5G67 T68 R70 Q101D33-G67 CarbonylContact O-C 3.55Å; D33-G67 VanDerWaalsContact O-CA 3.23Å; D33-G67 WeakPolarHBondContact O-CA 3.43Å; D33-T68 PolarHBondContact N-O 2.96Å; D33-T68 PolarHBondContact O-N 2.91Å; D33-R70 VanDerWaalsContact CG-NE 3.28Å; D33-R70 IonicContact OD1-CZ 3.84Å; D33-R70 IonicContact OD1-NE 2.84Å; D33-R70 PolarHBondContact OD1-NE 2.83Å; D33-R70 IonicContact OD1-NH2 3.27Å; D33-R70 PolarHBondContact OD1-NH2 2.96Å; D33-R70 IonicContact OD2-CZ 3.93Å; D33-R70 VanDerWaalsContact OD2-CZ 3.27Å; D33-R70 IonicContact OD2-NE 3.14Å; D33-R70 PolarHBondContact OD2-NE 3.34Å; D33-R70 VanDerWaalsContact OD2-NE 3.09Å; D33-R70 IonicContact OD2-NH2 2.92Å; D33-R70 PolarHBondContact OD2-NH2 3.49Å; D33-Q101 PolarHBondContact OD1-NE2 3.47Å
34V98.8Very high97.9Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-82.5124-173.5177.70000109.6V32 W36 F65 A99 E100 A102 V323V32-V34 PolarHBondContact O-N 3.09Å; V34-W36 WeakPolarHBondContact CG1-O 3.38Å; V34-F65 HydrophobicContact CG1-CB 3.79Å; V34-F65 HydrophobicContact CG2-CB 4.11Å; V34-F65 HydrophobicContact CG2-CD2 4.25Å; V34-F65 HydrophobicContact CG2-CG 4.19Å; V34-A99 VanDerWaalsContact CB-O 3.22Å; V34-A99 WeakPolarHBondContact CB-O 3.36Å; V34-E100 PolarHBondContact N-O 3.11Å; V34-A102 HydrophobicContact CG2-CB 4Å; V34-V323 HydrophobicContact CG1-CB 4.26Å; V34-V323 HydrophobicContact CG1-CG1 4.41Å; V34-V323 HydrophobicContact CG1-CG2 3.98Å
35H98.6Very high98Very high53 Ų5328.8 Ų28.825%0.24514%0.144CC..EExtended strand (participates in β ladder)trans-94.7-43176.2-60.6166000110.9A66 T68 V323 N324H35-A66 PolarHBondContact N-O 3.08Å; H35-T68 PolarHBondContact CE1-OG1 3.1Å; H35-V323 PolarHBondContact O-N 2.76Å; H35-N324 PolarHBondContact O-N 2.73Å
36W98.8Very high98Very high34 Ų3428.5 Ų28.513%0.12914%0.142CC..EExtended strand (participates in β ladder)trans-135.5147.5-174.5-61.694000111.2V34 F65 A66 R119 M122 E297 L320 V321 K322V34-W36 WeakPolarHBondContact CG1-O 3.38Å; W36-F65 CarbonylContact O-C 3.6Å; W36-F65 WeakPolarHBondContact O-CA 3.13Å; W36-A66 PolarHBondContact N-O 2.96Å; W36-A66 VanDerWaalsContact N-O 3.08Å; W36-A66 PolarHBondContact O-N 3.23Å; W36-R119 HydrophobicContact CD2-CB 4.17Å; W36-R119 HydrophobicContact CD2-CG 4.04Å; W36-R119 HydrophobicContact CE3-CG 4.27Å; W36-R119 HydrophobicContact CG-CB 4.41Å; W36-R119 HydrophobicContact CH2-CG 3.98Å; W36-R119 HydrophobicContact CZ2-CB 4.1Å; W36-R119 HydrophobicContact CZ2-CG 3.75Å; W36-R119 HydrophobicContact CZ3-CG 4.23Å; W36-M122 HydrophobicContact CB-CB 3.84Å; W36-M122 HydrophobicContact CB-CG 3.61Å; W36-M122 WeakPolarHBondContact O-CG 3.29Å; W36-E297 HydrophobicContact CH2-CG 4.39Å; W36-E297 HydrophobicContact CZ3-CG 3.94Å; W36-L320 HydrophobicContact CB-CD1 4.4Å; W36-L320 HydrophobicContact CD2-CD1 4.3Å; W36-L320 HydrophobicContact CE3-CD1 3.63Å; W36-L320 HydrophobicContact CE3-CD2 3.7Å; W36-L320 HydrophobicContact CE3-CG 3.57Å; W36-L320 HydrophobicContact CH2-CD2 4.29Å; W36-L320 HydrophobicContact CZ3-CD1 4.3Å; W36-L320 HydrophobicContact CZ3-CD2 3.5Å; W36-L320 VanDerWaalsContact CZ3-CD2 3.5Å; W36-L320 HydrophobicContact CZ3-CG 3.74Å; W36-V321 WeakPolarHBondContact CA-O 3.29Å; W36-K322 HydrophobicContact CE3-CB 4.01Å; W36-K322 HydrophobicContact CE3-CG 4.34Å; W36-K322 HydrophobicContact CH2-CB 3.99Å; W36-K322 HydrophobicContact CH2-CD 3.95Å; W36-K322 HydrophobicContact CH2-CG 3.88Å; W36-K322 HydrophobicContact CZ2-CG 4.39Å; W36-K322 HydrophobicContact CZ3-CB 3.49Å; W36-K322 VanDerWaalsContact CZ3-CB 3.49Å; W36-K322 HydrophobicContact CZ3-CD 4.34Å; W36-K322 HydrophobicContact CZ3-CG 3.85Å
37S98.9Very high98.1Very high0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-136.8-175166.5-174.80000109.2D64 G97 V321S37-D64 WeakPolarHBondContact CB-O 3.48Å; S37-D64 PolarHBondContact OG-O 3.01Å; S37-G97 WeakPolarHBondContact CB-O 3.39Å; S37-V321 PolarHBondContact N-O 2.8Å; S37-V321 PolarHBondContact O-N 2.69Å
38S98.8Very high98.1Very high0 Ų020.1 Ų20.10%010%0.103CC..EExtended strand (participates in β ladder)trans-143.6159.9176.194.20000111.1N40 D64 M122 R318 T319S38-N40 PolarHBondContact OG-ND2 2.61Å; S38-D64 PolarHBondContact OG-OD2 3.19Å; S38-M122 VanDerWaalsContact CB-O 3.28Å; S38-M122 WeakPolarHBondContact CB-O 3.44Å; S38-R318 PolarHBondContact OG-NH2 3.36Å; S38-T319 VanDerWaalsContact CA-O 3.3Å; S38-T319 WeakPolarHBondContact CA-O 3.47Å; S38-T319 WeakPolarHBondContact CB-O 3.37Å
39L98.7Very high98Very high4 Ų420.5 Ų20.52%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-103.6118.9168.1-60.2-177.5000110.7D43 I47 L98 I298 A303 F306 I310 T319 V321L39-D43 HydrophobicContact CD2-CB 4.06Å; L39-I47 HydrophobicContact CD2-CD1 3.76Å; L39-L98 HydrophobicContact CD2-CD1 3.75Å; L39-L98 HydrophobicContact CD2-CD2 4.22Å; L39-I298 HydrophobicContact CD1-CD1 4.04Å; L39-A303 HydrophobicContact CD1-CB 4.18Å; L39-A303 HydrophobicContact CD2-CB 4.36Å; L39-F306 HydrophobicContact CD1-CB 3.75Å; L39-I310 HydrophobicContact CB-CD1 3.69Å; L39-I310 HydrophobicContact CD1-CD1 4.38Å; L39-T319 HydrophobicContact CB-CG2 4.21Å; L39-T319 HydrophobicContact CD1-CG2 4.06Å; L39-T319 HydrophobicContact CG-CG2 4.22Å; L39-T319 PolarHBondContact N-O 3.18Å; L39-V321 HydrophobicContact CD2-CG2 4.31Å; L39-V321 HydrophobicContact CG-CG2 3.93Å
40N98.4Very high97.8Very high10 Ų1023.3 Ų23.35%0.05312%0.117CC..  trans-99.5170.1169.4-55.2-81.4000110.4S38 K42 D43 A44 I63 D64 A127 R318S38-N40 PolarHBondContact OG-ND2 2.61Å; N40-K42 PolarHBondContact O-N 3.37Å; N40-D43 WeakPolarHBondContact CA-OD2 3.37Å; N40-D43 WeakPolarHBondContact CB-OD2 3.45Å; N40-D43 PolarHBondContact N-OD2 2.76Å; N40-D43 PolarHBondContact ND2-OD2 3.33Å; N40-D43 PolarHBondContact O-N 2.66Å; N40-D43 VanDerWaalsContact O-N 3.12Å; N40-A44 PolarHBondContact O-N 2.78Å; N40-I63 HydrophobicContact CB-CD1 3.97Å; N40-I63 WeakPolarHBondContact ND2-CG1 3.23Å; N40-D64 PolarHBondContact ND2-OD2 3.05Å; N40-A127 PolarHBondContact OD1-N 3.34Å; N40-R318 PolarHBondContact OD1-NH1 3.25Å; N40-R318 PolarHBondContact OD1-NH2 3.06Å
41Y96.5Very high97.2Very high89 Ų8926.1 Ų26.135%0.34915%0.146SC..Hα-helixtrans-56.1-35.9174.3-172.6-101000112A44 L45 L242 I310 I311Y41-A44 PolarHBondContact O-N 3.46Å; Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CD1-CG 4.29Å; Y41-L45 HydrophobicContact CE1-CD1 3.64Å; Y41-L45 HydrophobicContact CE1-CD2 4.4Å; Y41-L45 HydrophobicContact CE1-CG 4.04Å; Y41-L45 WeakPolarHBondContact O-CG 3.08Å; Y41-L45 PolarHBondContact O-N 2.83Å; Y41-L242 HydrophobicContact CE1-CD1 4.02Å; Y41-I310 HydrophobicContact CD2-CG2 4.08Å; Y41-I311 HydrophobicContact CD2-CD1 4.25Å; Y41-I311 HydrophobicContact CE2-CD1 3.87Å
42K96.8Very high96.8Very high54 Ų5434.5 Ų34.524%0.23518%0.182CC..Hα-helixtrans-67.2-43.5176.1-171.8-174.8-76.5-160.30112.6N40 A44 L45 A46 I53 I63 E92N40-K42 PolarHBondContact O-N 3.37Å; K42-A44 VanDerWaalsContact C-N 3.28Å; K42-A44 PolarHBondContact O-N 2.92Å; K42-L45 WeakPolarHBondContact O-CB 3.48Å; K42-L45 PolarHBondContact O-N 3.06Å; K42-A46 PolarHBondContact O-N 3Å; K42-I53 HydrophobicContact CD-CG2 4.42Å; K42-I53 HydrophobicContact CG-CD1 4.47Å; K42-I53 HydrophobicContact CG-CG2 4Å; K42-I63 HydrophobicContact CB-CD1 4.27Å; K42-I63 HydrophobicContact CD-CD1 4.33Å; K42-I63 HydrophobicContact CD-CG2 4.05Å; K42-E92 VanDerWaalsContact CD-CD 3.42Å; K42-E92 HydrophobicContact CD-CG 3.92Å; K42-E92 WeakPolarHBondContact CD-OE2 3.31Å; K42-E92 WeakPolarHBondContact CE-OE2 3.43Å; K42-E92 IonicContact NZ-OE1 3.17Å; K42-E92 PolarHBondContact NZ-OE1 2.89Å; K42-E92 IonicContact NZ-OE2 2.83Å; K42-E92 PolarHBondContact NZ-OE2 3.03Å
43D98.3Very high96.6Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-60.9-41.5174.2-57.3-64.2000110.7L39 N40 L45 A46 I47 G62 I63L39-D43 HydrophobicContact CD2-CB 4.06Å; N40-D43 WeakPolarHBondContact CA-OD2 3.37Å; N40-D43 WeakPolarHBondContact CB-OD2 3.45Å; N40-D43 PolarHBondContact N-OD2 2.76Å; N40-D43 PolarHBondContact ND2-OD2 3.33Å; N40-D43 PolarHBondContact O-N 2.66Å; N40-D43 VanDerWaalsContact O-N 3.12Å; D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 3.06Å; D43-A46 PolarHBondContact O-N 3.46Å; D43-I47 HydrophobicContact CB-CD1 4.43Å; D43-I47 WeakPolarHBondContact O-CB 3.41Å; D43-I47 WeakPolarHBondContact O-CD1 3.02Å; D43-I47 VanDerWaalsContact O-CG1 3.23Å; D43-I47 WeakPolarHBondContact O-CG1 3.42Å; D43-I47 PolarHBondContact O-N 2.9Å; D43-G62 WeakPolarHBondContact OD1-CA 3.34Å; D43-G62 PolarHBondContact OD1-N 3.05Å; D43-I63 WeakPolarHBondContact OD1-CG2 3.32Å; D43-I63 PolarHBondContact OD1-N 3.13Å
44A98Very high96.4Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-62.4-40.6177.600000112.3N40 Y41 K42 T48 A307 I310 I311N40-A44 PolarHBondContact O-N 2.78Å; Y41-A44 PolarHBondContact O-N 3.46Å; K42-A44 VanDerWaalsContact C-N 3.28Å; K42-A44 PolarHBondContact O-N 2.92Å; A44-T48 WeakPolarHBondContact O-CB 3.42Å; A44-T48 VanDerWaalsContact O-CG2 3.28Å; A44-T48 WeakPolarHBondContact O-CG2 3.37Å; A44-T48 PolarHBondContact O-N 3.09Å; A44-T48 PolarHBondContact O-OG1 3.04Å; A44-A307 HydrophobicContact CB-CB 4.13Å; A44-I310 HydrophobicContact CB-CB 3.79Å; A44-I310 HydrophobicContact CB-CD1 4.31Å; A44-I310 HydrophobicContact CB-CG2 3.59Å; A44-I311 HydrophobicContact CB-CD1 3.78Å; A44-I311 HydrophobicContact CB-CG1 3.9Å
45L96.9Very high96.1Very high21 Ų2145.8 Ų45.811%0.1123%0.225CC..Hα-helixtrans-62.7-46.4172.6-74.1175.5000111.6Y41 K42 D43 T48 G49 K50 I53 I311Y41-L45 HydrophobicContact CD1-CD1 3.9Å; Y41-L45 HydrophobicContact CD1-CG 4.29Å; Y41-L45 HydrophobicContact CE1-CD1 3.64Å; Y41-L45 HydrophobicContact CE1-CD2 4.4Å; Y41-L45 HydrophobicContact CE1-CG 4.04Å; Y41-L45 WeakPolarHBondContact O-CG 3.08Å; Y41-L45 PolarHBondContact O-N 2.83Å; K42-L45 WeakPolarHBondContact O-CB 3.48Å; K42-L45 PolarHBondContact O-N 3.06Å; D43-L45 VanDerWaalsContact C-N 3.34Å; D43-L45 PolarHBondContact O-N 3.06Å; L45-T48 PolarHBondContact O-OG1 3.22Å; L45-G49 CarbonylContact O-C 3.53Å; L45-G49 PolarHBondContact O-N 3.14Å; L45-K50 CarbonylContact C-O 3.58Å; L45-K50 WeakPolarHBondContact CB-O 3.39Å; L45-K50 HydrophobicContact CD2-CB 3.73Å; L45-K50 PolarHBondContact O-N 3.06Å; L45-I53 HydrophobicContact CB-CD1 4.39Å; L45-I53 HydrophobicContact CB-CG1 3.62Å; L45-I53 HydrophobicContact CD1-CD1 4.1Å; L45-I53 HydrophobicContact CD1-CG1 4.24Å; L45-I311 HydrophobicContact CD2-CD1 3.63Å; L45-I311 HydrophobicContact CG-CD1 3.86Å
46A97.6Very high96Very high3 Ų348.3 Ų48.33%0.02524%0.241CC..Hα-helixtrans-59.6-51.3177.900000112.1L6 K42 D43 T48 G49 I53 I54L6-A46 HydrophobicContact CD1-CB 4.4Å; L6-A46 WeakPolarHBondContact CD1-O 3.41Å; K42-A46 PolarHBondContact O-N 3Å; D43-A46 PolarHBondContact O-N 3.46Å; A46-T48 PolarHBondContact O-N 3.09Å; A46-G49 PolarHBondContact O-N 2.76Å; A46-I53 HydrophobicContact CB-CB 4.27Å; A46-I53 HydrophobicContact CB-CG2 4.23Å; A46-I54 HydrophobicContact CB-CD1 3.82Å; A46-I54 HydrophobicContact CB-CG1 3.75Å
47I98.2Very high95.8Very high6 Ų649.5 Ų49.53%0.03125%0.247CC..Hα-helixtrans-64.3-40.3-177.4-67.2164.4000111.6L4 L6 A15 L39 D43 G49 P61 L98 P304 A307L4-I47 HydrophobicContact CD2-CD1 3.93Å; L4-I47 HydrophobicContact CD2-CG1 4.05Å; L6-I47 HydrophobicContact CD2-CB 4.47Å; L6-I47 HydrophobicContact CD2-CG1 4.34Å; A15-I47 HydrophobicContact CB-CG2 3.9Å; L39-I47 HydrophobicContact CD2-CD1 3.76Å; D43-I47 HydrophobicContact CB-CD1 4.43Å; D43-I47 WeakPolarHBondContact O-CB 3.41Å; D43-I47 WeakPolarHBondContact O-CD1 3.02Å; D43-I47 VanDerWaalsContact O-CG1 3.23Å; D43-I47 WeakPolarHBondContact O-CG1 3.42Å; D43-I47 PolarHBondContact O-N 2.9Å; I47-G49 VanDerWaalsContact C-N 3.29Å; I47-G49 PolarHBondContact O-N 3.02Å; I47-P61 HydrophobicContact CD1-CG 4.45Å; I47-P61 HydrophobicContact CG1-CB 4.17Å; I47-P61 HydrophobicContact CG1-CG 3.88Å; I47-L98 HydrophobicContact CD1-CD1 3.94Å; I47-P304 HydrophobicContact CG2-CB 4.39Å; I47-A307 HydrophobicContact CB-CB 3.78Å; I47-A307 HydrophobicContact CD1-CB 4.04Å; I47-A307 HydrophobicContact CG2-CB 3.63Å
48T96.9Very high95.7Very high36 Ų3652.1 Ų52.122%0.22126%0.264CS..THydrogen-bonded Turntrans-82.7-2.9178.861.10000113.7A44 L45 A46 K50 A307 E308 I311A44-T48 WeakPolarHBondContact O-CB 3.42Å; A44-T48 VanDerWaalsContact O-CG2 3.28Å; A44-T48 WeakPolarHBondContact O-CG2 3.37Å; A44-T48 PolarHBondContact O-N 3.09Å; A44-T48 PolarHBondContact O-OG1 3.04Å; L45-T48 PolarHBondContact O-OG1 3.22Å; A46-T48 PolarHBondContact O-N 3.09Å; T48-K50 PolarHBondContact O-N 3Å; T48-A307 HydrophobicContact CG2-CB 4.14Å; T48-E308 HydrophobicContact CG2-CG 3.97Å; T48-I311 HydrophobicContact CG2-CG1 4.31Å
49G95.3Very high95.7Very high35 Ų3552.3 Ų52.336%0.36127%0.265SS..THydrogen-bonded Turntrans70.16.6-175.900000114.9T13 L45 A46 I47T13-G49 WeakPolarHBondContact OG1-CA 3.15Å; L45-G49 CarbonylContact O-C 3.53Å; L45-G49 PolarHBondContact O-N 3.14Å; A46-G49 PolarHBondContact O-N 2.76Å; I47-G49 VanDerWaalsContact C-N 3.29Å; I47-G49 PolarHBondContact O-N 3.02Å
50K92.7Very high95.7Very high102 Ų10252.1 Ų52.144%0.44326%0.264SS..G310 helixtrans-80.4151.1178.3-70.3174.4178.4178.30110.6L45 T48 K52 I311L45-K50 CarbonylContact C-O 3.58Å; L45-K50 WeakPolarHBondContact CB-O 3.39Å; L45-K50 HydrophobicContact CD2-CB 3.73Å; L45-K50 PolarHBondContact O-N 3.06Å; T48-K50 PolarHBondContact O-N 3Å; K50-K52 VanDerWaalsContact C-N 3.25Å; K50-K52 PolarHBondContact O-N 3.23Å; K50-I311 HydrophobicContact CD-CG2 3.76Å
51G87.3Confident95.7Very high59 Ų5951.7 Ų51.761%0.60826%0.261SS*.G310 helixtrans75-0.4173.900000116.6I53G51-I53 VanDerWaalsContact C-N 3.26Å; G51-I53 PolarHBondContact O-N 3.45Å
52K90.2Very high95.8Very high183 Ų18347.4 Ų47.480%0.79625%0.245SC*.G310 helixtrans53.939.5178.6-58.5-177.7177.6-178.40113.4K50K50-K52 VanDerWaalsContact C-N 3.25Å; K50-K52 PolarHBondContact O-N 3.23Å
53I93.2Very high95.9Very high41 Ų4145.1 Ų45.121%0.2124%0.235CC..  trans-64.4-49177.6-55.3-56.7000110.2K42 L45 A46 G51 E92K42-I53 HydrophobicContact CD-CG2 4.42Å; K42-I53 HydrophobicContact CG-CD1 4.47Å; K42-I53 HydrophobicContact CG-CG2 4Å; L45-I53 HydrophobicContact CB-CD1 4.39Å; L45-I53 HydrophobicContact CB-CG1 3.62Å; L45-I53 HydrophobicContact CD1-CD1 4.1Å; L45-I53 HydrophobicContact CD1-CG1 4.24Å; A46-I53 HydrophobicContact CB-CB 4.27Å; A46-I53 HydrophobicContact CB-CG2 4.23Å; G51-I53 VanDerWaalsContact C-N 3.26Å; G51-I53 PolarHBondContact O-N 3.45Å; I53-E92 HydrophobicContact CG2-CG 4.04Å
54I95.4Very high95.9Very high15 Ų1545.1 Ų45.18%0.07724%0.235CC..  trans-87.2127.9179.4-52.2-50000110L6 A46 N56 F57 M59 G91L6-I54 HydrophobicContact CD1-CG1 4.16Å; A46-I54 HydrophobicContact CB-CD1 3.82Å; A46-I54 HydrophobicContact CB-CG1 3.75Å; I54-N56 WeakPolarHBondContact CG2-O 3.49Å; I54-F57 HydrophobicContact CB-CE1 4.31Å; I54-F57 HydrophobicContact CB-CE2 4.17Å; I54-F57 HydrophobicContact CB-CZ 3.79Å; I54-F57 HydrophobicContact CG2-CD1 4.25Å; I54-F57 HydrophobicContact CG2-CD2 4.17Å; I54-F57 HydrophobicContact CG2-CE1 3.88Å; I54-F57 HydrophobicContact CG2-CE2 3.79Å; I54-F57 HydrophobicContact CG2-CG 4.38Å; I54-F57 HydrophobicContact CG2-CZ 3.64Å; I54-M59 HydrophobicContact CD1-CG 3.91Å; I54-M59 HydrophobicContact CG1-CG 4.31Å; I54-M59 HydrophobicContact CG2-CB 3.81Å; I54-M59 HydrophobicContact CG2-CE 4.37Å; I54-M59 HydrophobicContact CG2-CG 4.03Å; I54-G91 WeakPolarHBondContact CD1-O 3.48Å
55R93.4Very high95.9Very high217 Ų21745.1 Ų45.182%0.81924%0.235SC*.  trans-107.7-25.2176-63.4-175.5-180-176.50.5113.4
56N94.6Very high96Very high106 Ų10644.1 Ų44.157%0.56723%0.23SC*.SBendtrans-118.7126.5-177.1-60-41.1000109.3I54I54-N56 WeakPolarHBondContact CG2-O 3.49Å
57F96.2Very high96.1Very high58 Ų5844 Ų4425%0.25423%0.229SC..SBendtrans-119.6148.8176.2-67.8-92.6000109.4L6 Q8 T13 I54L6-F57 HydrophobicContact CB-CD1 4.22Å; L6-F57 HydrophobicContact CB-CE1 3.99Å; L6-F57 WeakPolarHBondContact O-CD1 3.33Å; Q8-F57 HydrophobicContact CB-CB 4.44Å; Q8-F57 HydrophobicContact CB-CD1 4.17Å; Q8-F57 HydrophobicContact CB-CD2 4.04Å; Q8-F57 HydrophobicContact CB-CE1 4.44Å; Q8-F57 HydrophobicContact CB-CE2 4.33Å; Q8-F57 HydrophobicContact CB-CG 3.96Å; T13-F57 HydrophobicContact CG2-CE1 3.98Å; T13-F57 HydrophobicContact CG2-CZ 4.48Å; I54-F57 HydrophobicContact CB-CE1 4.31Å; I54-F57 HydrophobicContact CB-CE2 4.17Å; I54-F57 HydrophobicContact CB-CZ 3.79Å; I54-F57 HydrophobicContact CG2-CD1 4.25Å; I54-F57 HydrophobicContact CG2-CD2 4.17Å; I54-F57 HydrophobicContact CG2-CE1 3.88Å; I54-F57 HydrophobicContact CG2-CE2 3.79Å; I54-F57 HydrophobicContact CG2-CG 4.38Å; I54-F57 HydrophobicContact CG2-CZ 3.64Å
58P96.6Very high96.1Very high55 Ų5545 Ų4536%0.35724%0.235SC..SBendcis-72.9152.7-2.232.5-36.6000112.9L5 L6 E7 W95L5-P58 HydrophobicContact CD1-CB 3.95Å; L5-P58 HydrophobicContact CD2-CB 4.13Å; L5-P58 HydrophobicContact CG-CB 4.09Å; L6-P58 CarbonylContact O-C 3.08Å; L6-P58 VanDerWaalsContact O-CA 3.26Å; L6-P58 WeakPolarHBondContact O-CA 3.32Å; E7-P58 HydrophobicContact CG-CB 4.25Å; P58-W95 HydrophobicContact CG-CZ2 4.42Å; P58-W95 PolarHBondContact O-NE1 3.2Å; P58-W95 VanDerWaalsContact O-NE1 3.12Å
59M98.1Very high96.2Very high4 Ų443.4 Ų43.42%0.0223%0.225CC..BIsolated β-bridgetrans-133.6135.3-176.817561.168.900111.2L6 I54 E92L6-M59 HydrophobicContact CB-CB 4.37Å; L6-M59 WeakPolarHBondContact CB-O 3.42Å; L6-M59 PolarHBondContact N-O 2.71Å; L6-M59 PolarHBondContact O-N 2.68Å; I54-M59 HydrophobicContact CD1-CG 3.91Å; I54-M59 HydrophobicContact CG1-CG 4.31Å; I54-M59 HydrophobicContact CG2-CB 3.81Å; I54-M59 HydrophobicContact CG2-CE 4.37Å; I54-M59 HydrophobicContact CG2-CG 4.03Å; M59-E92 WeakPolarHBondContact CE-O 3.38Å
60I98.5Very high96.4Very high1 Ų147 Ų471%0.00523%0.228CC..  trans-89.5116.3161-61.2179.5000107.6M1 A3 L5 L20 W95 G96 A99M1-I60 HydrophobicContact CE-CD1 3.94Å; A3-I60 HydrophobicContact CB-CD1 3.68Å; A3-I60 HydrophobicContact CB-CG1 4.19Å; L5-I60 HydrophobicContact CD1-CG1 4.02Å; L20-I60 HydrophobicContact CD1-CD1 3.98Å; I60-W95 HydrophobicContact CB-CB 3.97Å; I60-W95 HydrophobicContact CB-CD2 4.24Å; I60-W95 HydrophobicContact CB-CG 4.03Å; I60-W95 HydrophobicContact CD1-CB 4.44Å; I60-W95 HydrophobicContact CD1-CD2 3.79Å; I60-W95 HydrophobicContact CD1-CE3 3.22Å; I60-W95 HydrophobicContact CD1-CG 4.34Å; I60-W95 HydrophobicContact CD1-CH2 4.47Å; I60-W95 HydrophobicContact CD1-CZ3 3.62Å; I60-W95 HydrophobicContact CG1-CB 4.42Å; I60-W95 HydrophobicContact CG1-CD2 3.76Å; I60-W95 HydrophobicContact CG1-CE3 3.73Å; I60-W95 HydrophobicContact CG1-CG 4.11Å; I60-W95 HydrophobicContact CG1-CZ3 4.18Å; I60-G96 PolarHBondContact O-N 3.49Å; I60-A99 HydrophobicContact CD1-CB 4.08Å; I60-A99 HydrophobicContact CG2-CB 3.85Å
61P98.5Very high96.6Very high0 Ų045.8 Ų45.80%023%0.229CC..  trans-79.3-173.7178.832.1-26.9000111.2L4 L6 I47 G96 G97 L98L4-P61 HydrophobicContact CD2-CG 3.88Å; L4-P61 HydrophobicContact CG-CG 4.24Å; L4-P61 WeakPolarHBondContact O-CD 3.46Å; L6-P61 HydrophobicContact CD1-CB 3.84Å; L6-P61 HydrophobicContact CD1-CG 3.81Å; L6-P61 HydrophobicContact CD2-CG 4.12Å; L6-P61 HydrophobicContact CG-CB 4.35Å; L6-P61 HydrophobicContact CG-CG 3.78Å; I47-P61 HydrophobicContact CD1-CG 4.45Å; I47-P61 HydrophobicContact CG1-CB 4.17Å; I47-P61 HydrophobicContact CG1-CG 3.88Å; P61-G96 CarbonylContact O-C 3.57Å; P61-G96 WeakPolarHBondContact O-CA 3.48Å; P61-G97 PolarHBondContact O-N 3.14Å; P61-L98 HydrophobicContact CB-CD1 4.25Å; P61-L98 HydrophobicContact CG-CD1 3.89Å; P61-L98 WeakPolarHBondContact O-CB 3.33Å; P61-L98 PolarHBondContact O-N 3.28Å; P61-L98 VanDerWaalsContact O-N 3.08Å
62G98.6Very high97.2Very high0 Ų044.9 Ų44.90%021%0.213CC..  trans103.795.7179.700000111D43 D64 G96 G97D43-G62 WeakPolarHBondContact OD1-CA 3.34Å; D43-G62 PolarHBondContact OD1-N 3.05Å; G62-D64 PolarHBondContact O-N 2.75Å; G62-G96 CarbonylContact O-C 3.53Å; G62-G96 VanDerWaalsContact O-CA 3.29Å; G62-G96 WeakPolarHBondContact O-CA 3.46Å; G62-G97 PolarHBondContact O-N 3.41Å
63I98.8Very high97.6Very high6 Ų644.4 Ų44.43%0.03121%0.214CC..SBendtrans-76.1-7179.569.5178.6000113.8N40 K42 D43 T86 G87 V90 E92 T126N40-I63 HydrophobicContact CB-CD1 3.97Å; N40-I63 WeakPolarHBondContact ND2-CG1 3.23Å; K42-I63 HydrophobicContact CB-CD1 4.27Å; K42-I63 HydrophobicContact CD-CD1 4.33Å; K42-I63 HydrophobicContact CD-CG2 4.05Å; D43-I63 WeakPolarHBondContact OD1-CG2 3.32Å; D43-I63 PolarHBondContact OD1-N 3.13Å; I63-T86 WeakPolarHBondContact O-CA 3.31Å; I63-G87 PolarHBondContact O-N 3.5Å; I63-V90 WeakPolarHBondContact CA-O 3.36Å; I63-V90 WeakPolarHBondContact CG2-O 3.45Å; I63-E92 HydrophobicContact CG2-CG 4.21Å; I63-T126 HydrophobicContact CD1-CG2 3.78Å
64D98.9Very high97.8Very high0 Ų043.2 Ų43.20%021%0.208CC..EExtended strand (participates in β ladder)trans-127.2144.7-179.5-55.9-30.9000111.2S37 S38 N40 G62 L85 T86 M122 G125 T126 R318S37-D64 WeakPolarHBondContact CB-O 3.48Å; S37-D64 PolarHBondContact OG-O 3.01Å; S38-D64 PolarHBondContact OG-OD2 3.19Å; N40-D64 PolarHBondContact ND2-OD2 3.05Å; G62-D64 PolarHBondContact O-N 2.75Å; D64-L85 VanDerWaalsContact CA-O 3.28Å; D64-L85 WeakPolarHBondContact CA-O 3.46Å; D64-T86 HydrophobicContact CB-CG2 4.37Å; D64-T86 WeakPolarHBondContact OD1-CB 3.5Å; D64-T86 VanDerWaalsContact OD1-CG2 3.28Å; D64-T86 WeakPolarHBondContact OD1-CG2 3.42Å; D64-M122 HydrophobicContact CB-CE 4.09Å; D64-M122 HydrophobicContact CB-SD 3.57Å; D64-M122 VanDerWaalsContact CB-SD 3.57Å; D64-G125 WeakPolarHBondContact OD2-CA 3.48Å; D64-T126 VanDerWaalsContact CG-N 3.31Å; D64-T126 WeakPolarHBondContact OD1-CB 3.34Å; D64-T126 PolarHBondContact OD1-N 3.26Å; D64-T126 VanDerWaalsContact OD1-N 3.15Å; D64-T126 PolarHBondContact OD1-OG1 2.89Å; D64-T126 PolarHBondContact OD2-N 3.46Å; D64-R318 IonicContact OD2-NH2 2.68Å
65F98.9Very high97.9Very high0 Ų048.8 Ų48.80%025%0.245CC..EExtended strand (participates in β ladder)trans-153.6159.9159.559.3-100.2000111.9V32 V34 W36 L84 L85 V90 A102 V104 L109 M122V32-F65 HydrophobicContact CB-CE2 4.19Å; V32-F65 HydrophobicContact CG1-CD2 4.32Å; V32-F65 HydrophobicContact CG1-CE2 4.11Å; V32-F65 HydrophobicContact CG2-CE2 4.15Å; V34-F65 HydrophobicContact CG1-CB 3.79Å; V34-F65 HydrophobicContact CG2-CB 4.11Å; V34-F65 HydrophobicContact CG2-CD2 4.25Å; V34-F65 HydrophobicContact CG2-CG 4.19Å; W36-F65 CarbonylContact O-C 3.6Å; W36-F65 WeakPolarHBondContact O-CA 3.13Å; F65-L84 CarbonylContact O-C 3.44Å; F65-L84 WeakPolarHBondContact O-CA 3.45Å; F65-L85 HydrophobicContact CD1-CB 3.96Å; F65-L85 HydrophobicContact CD1-CD2 4.28Å; F65-L85 HydrophobicContact CD2-CB 4.09Å; F65-L85 HydrophobicContact CE1-CB 3.61Å; F65-L85 HydrophobicContact CE1-CD1 3.72Å; F65-L85 HydrophobicContact CE1-CD2 3.92Å; F65-L85 HydrophobicContact CE1-CG 3.94Å; F65-L85 HydrophobicContact CE2-CB 3.72Å; F65-L85 HydrophobicContact CG-CB 4.2Å; F65-L85 HydrophobicContact CZ-CB 3.48Å; F65-L85 VanDerWaalsContact CZ-CB 3.48Å; F65-L85 HydrophobicContact CZ-CD1 3.61Å; F65-L85 HydrophobicContact CZ-CG 4.04Å; F65-L85 PolarHBondContact N-O 2.9Å; F65-L85 VanDerWaalsContact N-O 3.08Å; F65-L85 PolarHBondContact O-N 3.36Å; F65-V90 HydrophobicContact CE1-CG1 4.28Å; F65-A102 HydrophobicContact CD1-CB 4.31Å; F65-A102 HydrophobicContact CE1-CB 3.96Å; F65-A102 HydrophobicContact CZ-CB 4.2Å; F65-V104 HydrophobicContact CE1-CG1 4Å; F65-V104 HydrophobicContact CZ-CG1 3.93Å; F65-V104 HydrophobicContact CZ-CG2 4.02Å; F65-L109 HydrophobicContact CE2-CD2 3.81Å; F65-L109 HydrophobicContact CZ-CD2 3.97Å; F65-M122 VanDerWaalsContact C-CE 3.47Å; F65-M122 WeakPolarHBondContact CA-SD 3.26Å; F65-M122 VanDerWaalsContact O-CE 3.28Å; F65-M122 WeakPolarHBondContact O-CE 3.22Å
66A98.9Very high98.1Very high0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-138.3145.5164.700000110.4H35 W36 V83 L84 M112 A118 A121 M122H35-A66 PolarHBondContact N-O 3.08Å; W36-A66 PolarHBondContact N-O 2.96Å; W36-A66 VanDerWaalsContact N-O 3.08Å; W36-A66 PolarHBondContact O-N 3.23Å; A66-V83 WeakPolarHBondContact CA-O 3.42Å; A66-L84 HydrophobicContact CB-CB 4.16Å; A66-M112 HydrophobicContact CB-CE 4.02Å; A66-A118 HydrophobicContact CB-CB 3.73Å; A66-A121 HydrophobicContact CB-CB 4.26Å; A66-M122 HydrophobicContact CB-CE 4.03Å; A66-M122 HydrophobicContact CB-CG 3.74Å; A66-M122 HydrophobicContact CB-SD 4.36Å
67G98.7Very high98.3Very high0 Ų040.5 Ų40.50%021%0.207CC..EExtended strand (participates in β ladder)trans175.4-162.3-177.200000112.6D33 V83D33-G67 CarbonylContact O-C 3.55Å; D33-G67 VanDerWaalsContact O-CA 3.23Å; D33-G67 WeakPolarHBondContact O-CA 3.43Å; G67-V83 PolarHBondContact N-O 2.88Å; G67-V83 PolarHBondContact O-N 3.13Å
68T98.8Very high98.5Very high26 Ų2643.5 Ų43.516%0.1622%0.221CC..EExtended strand (participates in β ladder)trans-108.3135.7-175.1-46.10000110.7V32 D33 H35 R70 G80 Q81 E82V32-T68 CarbonylContact C-O 3.57Å; V32-T68 WeakPolarHBondContact CA-O 3.49Å; D33-T68 PolarHBondContact N-O 2.96Å; D33-T68 PolarHBondContact O-N 2.91Å; H35-T68 PolarHBondContact CE1-OG1 3.1Å; T68-R70 PolarHBondContact O-N 2.66Å; T68-G80 VanDerWaalsContact CG2-C 3.4Å; T68-G80 VanDerWaalsContact CG2-CA 3.42Å; T68-Q81 WeakPolarHBondContact CA-O 3.31Å; T68-E82 PolarHBondContact OG1-OE1 3.12Å
69V98.8Very high98.6Very high3 Ų344.1 Ų44.12%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-61.9121.8171.9174.70000109.2V30 F77 H78 A79 G80 Q81 V83V30-V69 HydrophobicContact CG1-CB 4.5Å; V30-V69 HydrophobicContact CG1-CG1 3.91Å; V30-V69 HydrophobicContact CG1-CG2 3.92Å; V69-F77 HydrophobicContact CG2-CB 4.33Å; V69-F77 HydrophobicContact CG2-CD1 4.49Å; V69-H78 WeakPolarHBondContact CB-O 3.28Å; V69-H78 WeakPolarHBondContact CG1-O 3.25Å; V69-A79 CarbonylContact O-C 3.59Å; V69-A79 WeakPolarHBondContact O-CA 3.39Å; V69-G80 PolarHBondContact O-N 3.46Å; V69-Q81 HydrophobicContact CB-CB 4.4Å; V69-Q81 HydrophobicContact CG2-CB 4.25Å; V69-Q81 WeakPolarHBondContact CG2-O 3.4Å; V69-Q81 PolarHBondContact N-O 3.35Å; V69-V83 HydrophobicContact CG2-CB 4.48Å; V69-V83 HydrophobicContact CG2-CG1 3.67Å; V69-V83 HydrophobicContact CG2-CG2 3.94Å
70R98.4Very high98.6Very high111 Ų11146.4 Ų46.442%0.41926%0.256SS..EExtended strand (participates in β ladder)trans-84.2-52.1173.6175.1-179.5-74.2-101.2-4.8110.8T31 D33 T68 A79 Q101T31-R70 HydrophobicContact CG2-CB 4.45Å; T31-R70 PolarHBondContact O-N 3.27Å; D33-R70 VanDerWaalsContact CG-NE 3.28Å; D33-R70 IonicContact OD1-CZ 3.84Å; D33-R70 IonicContact OD1-NE 2.84Å; D33-R70 PolarHBondContact OD1-NE 2.83Å; D33-R70 IonicContact OD1-NH2 3.27Å; D33-R70 PolarHBondContact OD1-NH2 2.96Å; D33-R70 IonicContact OD2-CZ 3.93Å; D33-R70 VanDerWaalsContact OD2-CZ 3.27Å; D33-R70 IonicContact OD2-NE 3.14Å; D33-R70 PolarHBondContact OD2-NE 3.34Å; D33-R70 VanDerWaalsContact OD2-NE 3.09Å; D33-R70 IonicContact OD2-NH2 2.92Å; D33-R70 PolarHBondContact OD2-NH2 3.49Å; T68-R70 PolarHBondContact O-N 2.66Å; R70-A79 WeakPolarHBondContact O-CB 3.37Å; R70-Q101 VanDerWaalsContact CZ-NE2 3.28Å
71T98.3Very high98.6Very high76 Ų7647.9 Ų47.947%0.46626%0.262SS..EExtended strand (participates in β ladder)trans-142.8152.7177.2540000110.2T31T31-T71 WeakPolarHBondContact CB-OG1 3.5Å; T31-T71 PolarHBondContact N-O 3.02Å; T31-T71 PolarHBondContact O-N 3.3Å
72S98.6Very high98.6Very high40 Ų4051.3 Ų51.328%0.2828%0.279SS..EExtended strand (participates in β ladder)trans-148.8139.7173.6-171.90000112.3D29 V30 D74 F77D29-S72 CarbonylContact O-C 3.59Å; D29-S72 VanDerWaalsContact O-CA 3.26Å; D29-S72 WeakPolarHBondContact O-CA 3.28Å; D29-S72 PolarHBondContact O-OG 3.35Å; V30-S72 WeakPolarHBondContact CG2-OG 3.33Å; S72-D74 PolarHBondContact OG-N 3.08Å; S72-D74 PolarHBondContact OG-O 3.32Å; S72-D74 VanDerWaalsContact OG-O 3.12Å; S72-F77 WeakPolarHBondContact CB-O 3.45Å
73E98.4Very high98.6Very high174 Ų17451.3 Ų51.381%0.81328%0.279SS*.SBendtrans-96.9-7.5165.7-60.3-177.1171.200111.8D29D29-E73 HydrophobicContact CB-CB 4.28Å; D29-E73 PolarHBondContact O-N 3.48Å
74D98.1Very high98.6Very high16 Ų1651 Ų519%0.08628%0.277CS..SBendtrans-92.2123.4178.9-170.7-49.1000110.4D29 V30 S72 R76 F77D29-D74 HydrophobicContact CB-CB 4.41Å; V30-D74 HydrophobicContact CG2-CB 4.21Å; S72-D74 PolarHBondContact OG-N 3.08Å; S72-D74 PolarHBondContact OG-O 3.32Å; S72-D74 VanDerWaalsContact OG-O 3.12Å; D74-R76 PolarHBondContact O-N 2.83Å; D74-R76 WeakPolarHBondContact OD1-CB 3.28Å; D74-R76 VanDerWaalsContact OD1-CG 3.28Å; D74-R76 WeakPolarHBondContact OD1-CG 3.47Å; D74-R76 IonicContact OD1-CZ 3.52Å; D74-R76 PolarHBondContact OD1-N 2.93Å; D74-R76 IonicContact OD1-NE 3.47Å; D74-R76 PolarHBondContact OD1-NE 3.08Å; D74-R76 IonicContact OD1-NH2 2.76Å; D74-R76 IonicContact OD2-CZ 2.75Å; D74-R76 VanDerWaalsContact OD2-CZ 3.23Å; D74-R76 IonicContact OD2-NE 3.09Å; D74-R76 PolarHBondContact OD2-NE 3.01Å; D74-R76 VanDerWaalsContact OD2-NE 3.1Å; D74-R76 IonicContact OD2-NH2 2.71Å; D74-R76 PolarHBondContact OD2-NH2 3.46Å; D74-F77 HydrophobicContact CB-CD2 4.28Å; D74-F77 PolarHBondContact O-N 2.96Å
75P98.1Very high98.6Very high132 Ų13251 Ų5186%0.85728%0.277SS*.THydrogen-bonded Turntrans-65.1-11.6-176.328.1-36.6000114.5F77P75-F77 VanDerWaalsContact C-N 3.31Å
76R98.2Very high98.6Very high129 Ų12951 Ų5149%0.48728%0.277SS..THydrogen-bonded Turntrans-76.7-19.2175.6-60.9172.7-71.8-174.3-4.5112.7D74 D107D74-R76 PolarHBondContact O-N 2.83Å; D74-R76 WeakPolarHBondContact OD1-CB 3.28Å; D74-R76 VanDerWaalsContact OD1-CG 3.28Å; D74-R76 WeakPolarHBondContact OD1-CG 3.47Å; D74-R76 IonicContact OD1-CZ 3.52Å; D74-R76 PolarHBondContact OD1-N 2.93Å; D74-R76 IonicContact OD1-NE 3.47Å; D74-R76 PolarHBondContact OD1-NE 3.08Å; D74-R76 IonicContact OD1-NH2 2.76Å; D74-R76 IonicContact OD2-CZ 2.75Å; D74-R76 VanDerWaalsContact OD2-CZ 3.23Å; D74-R76 IonicContact OD2-NE 3.09Å; D74-R76 PolarHBondContact OD2-NE 3.01Å; D74-R76 VanDerWaalsContact OD2-NE 3.1Å; D74-R76 IonicContact OD2-NH2 2.71Å; D74-R76 PolarHBondContact OD2-NH2 3.46Å; R76-D107 IonicContact CZ-OD1 2.8Å; R76-D107 VanDerWaalsContact CZ-OD1 3.23Å; R76-D107 IonicContact NH1-OD1 2.69Å; R76-D107 PolarHBondContact NH1-OD1 2.89Å; R76-D107 IonicContact NH2-OD1 3.93Å; R76-D107 PolarHBondContact NH2-OD1 3.5Å
77F98.6Very high98.6Very high20 Ų2051.1 Ų51.19%0.08828%0.278CS..  trans-125145.3-175.1-59-79.8000111.8V30 V69 S72 D74 P75 Q81 V83 G106 L109V30-F77 HydrophobicContact CG1-CB 4.48Å; V30-F77 HydrophobicContact CG2-CB 4.26Å; V30-F77 HydrophobicContact CG2-CD2 3.85Å; V30-F77 HydrophobicContact CG2-CG 4.23Å; V69-F77 HydrophobicContact CG2-CB 4.33Å; V69-F77 HydrophobicContact CG2-CD1 4.49Å; S72-F77 WeakPolarHBondContact CB-O 3.45Å; D74-F77 HydrophobicContact CB-CD2 4.28Å; D74-F77 PolarHBondContact O-N 2.96Å; P75-F77 VanDerWaalsContact C-N 3.31Å; F77-Q81 VanDerWaalsContact CA-OE1 3.3Å; F77-V83 HydrophobicContact CD1-CG1 3.71Å; F77-V83 HydrophobicContact CE1-CG1 3.78Å; F77-G106 VanDerWaalsContact CE2-O 3.27Å; F77-G106 WeakPolarHBondContact CE2-O 3.4Å; F77-L109 HydrophobicContact CD1-CD1 4.36Å; F77-L109 HydrophobicContact CE1-CB 3.76Å; F77-L109 HydrophobicContact CE1-CD1 4.22Å; F77-L109 HydrophobicContact CE2-CB 4.15Å; F77-L109 HydrophobicContact CE2-CD1 4.39Å; F77-L109 HydrophobicContact CZ-CB 3.46Å; F77-L109 VanDerWaalsContact CZ-CB 3.46Å; F77-L109 HydrophobicContact CZ-CD1 4.24Å; F77-L109 HydrophobicContact CZ-CG 4.49Å
78H98.6Very high98.5Very high120 Ų12053 Ų5356%0.55629%0.285SS*.  trans-138.5155178.957.2-79.3000111.4V69 G80 Q81V69-H78 WeakPolarHBondContact CB-O 3.28Å; V69-H78 WeakPolarHBondContact CG1-O 3.25Å; H78-G80 PolarHBondContact O-N 2.89Å; H78-Q81 PolarHBondContact CE1-OE1 2.8Å; H78-Q81 PolarHBondContact ND1-OE1 3.37Å; H78-Q81 WeakPolarHBondContact O-CB 3.27Å; H78-Q81 PolarHBondContact O-N 3.36Å
79A98.7Very high98.5Very high68 Ų6852 Ų5256%0.56228%0.28SS*.THydrogen-bonded Turntrans-55.4133.5178.300000111.3V69 R70V69-A79 CarbonylContact O-C 3.59Å; V69-A79 WeakPolarHBondContact O-CA 3.39Å; R70-A79 WeakPolarHBondContact O-CB 3.37Å
80G98.5Very high98.4Very high53 Ų5351.8 Ų51.855%0.54628%0.279SS..THydrogen-bonded Turntrans89.6-7-175.400000115T68 V69 H78T68-G80 VanDerWaalsContact CG2-C 3.4Å; T68-G80 VanDerWaalsContact CG2-CA 3.42Å; V69-G80 PolarHBondContact O-N 3.46Å; H78-G80 PolarHBondContact O-N 2.89Å
81Q98.6Very high98.4Very high31 Ų3146.6 Ų46.615%0.14526%0.26CS..  trans-75.8131.3177.7-174.7175.5-13.200111.6T68 V69 F77 H78 V83T68-Q81 WeakPolarHBondContact CA-O 3.31Å; V69-Q81 HydrophobicContact CB-CB 4.4Å; V69-Q81 HydrophobicContact CG2-CB 4.25Å; V69-Q81 WeakPolarHBondContact CG2-O 3.4Å; V69-Q81 PolarHBondContact N-O 3.35Å; F77-Q81 VanDerWaalsContact CA-OE1 3.3Å; H78-Q81 PolarHBondContact CE1-OE1 2.8Å; H78-Q81 PolarHBondContact ND1-OE1 3.37Å; H78-Q81 WeakPolarHBondContact O-CB 3.27Å; H78-Q81 PolarHBondContact O-N 3.36Å; Q81-V83 HydrophobicContact CG-CG1 4.36Å
82E98.7Very high98.3Very high72 Ų7244.7 Ų44.734%0.33625%0.246SC..EExtended strand (participates in β ladder)trans-76.9131.5173.1-65.5-65.9125.600111.2T68 M112T68-E82 PolarHBondContact OG1-OE1 3.12Å; E82-M112 HydrophobicContact CB-CB 3.72Å; E82-M112 HydrophobicContact CB-CG 4.36Å; E82-M112 WeakPolarHBondContact O-CB 3.4Å; E82-M112 PolarHBondContact O-N 3.41Å
83V98.8Very high98.3Very high0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-137.8159.8-177.9-64.20000111.5V32 A66 G67 V69 F77 Q81 L109 V110V32-V83 HydrophobicContact CG1-CG2 3.92Å; V32-V83 HydrophobicContact CG2-CG2 3.83Å; A66-V83 WeakPolarHBondContact CA-O 3.42Å; G67-V83 PolarHBondContact N-O 2.88Å; G67-V83 PolarHBondContact O-N 3.13Å; V69-V83 HydrophobicContact CG2-CB 4.48Å; V69-V83 HydrophobicContact CG2-CG1 3.67Å; V69-V83 HydrophobicContact CG2-CG2 3.94Å; F77-V83 HydrophobicContact CD1-CG1 3.71Å; F77-V83 HydrophobicContact CE1-CG1 3.78Å; Q81-V83 HydrophobicContact CG-CG1 4.36Å; V83-L109 HydrophobicContact CB-CD2 4.16Å; V83-L109 HydrophobicContact CG2-CD1 4.39Å; V83-L109 HydrophobicContact CG2-CD2 3.97Å; V83-V110 WeakPolarHBondContact CA-O 3.19Å
84L98.8Very high98.2Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-131.7158.5168.566.983.3000110.8F65 A66 V110 M112 P113 L116 A121 M122 W279F65-L84 CarbonylContact O-C 3.44Å; F65-L84 WeakPolarHBondContact O-CA 3.45Å; A66-L84 HydrophobicContact CB-CB 4.16Å; L84-V110 HydrophobicContact CD1-CB 3.76Å; L84-V110 HydrophobicContact CD1-CG1 4.4Å; L84-V110 HydrophobicContact CD1-CG2 4.22Å; L84-V110 HydrophobicContact CG-CB 4.09Å; L84-V110 PolarHBondContact N-O 2.84Å; L84-V110 PolarHBondContact O-N 3.47Å; L84-M112 HydrophobicContact CB-CE 4.09Å; L84-M112 HydrophobicContact CD2-CE 4.29Å; L84-M112 HydrophobicContact CD2-SD 3.93Å; L84-P113 HydrophobicContact CD2-CG 4.4Å; L84-L116 HydrophobicContact CD2-CD2 4.28Å; L84-A121 HydrophobicContact CB-CB 4.45Å; L84-A121 HydrophobicContact CD2-CB 3.95Å; L84-M122 HydrophobicContact CB-CE 4.38Å; L84-W279 HydrophobicContact CD1-CD2 4.32Å; L84-W279 VanDerWaalsContact CD1-CE2 3.49Å; L84-W279 HydrophobicContact CD1-CH2 4.25Å; L84-W279 HydrophobicContact CD1-CZ2 3.47Å; L84-W279 VanDerWaalsContact CD1-CZ2 3.47Å; L84-W279 HydrophobicContact CD2-CD2 4.07Å; L84-W279 HydrophobicContact CD2-CE3 4.11Å; L84-W279 HydrophobicContact CD2-CH2 4.02Å; L84-W279 HydrophobicContact CD2-CZ2 3.98Å; L84-W279 HydrophobicContact CD2-CZ3 4.08Å; L84-W279 HydrophobicContact CG-CZ2 4.39Å
85L98.9Very high98.3Very high0 Ų041.8 Ų41.80%023%0.229CC..EExtended strand (participates in β ladder)trans-137.1139.5172.7-171142.8000110.1D64 F65 V90 V104 W108 L109D64-L85 VanDerWaalsContact CA-O 3.28Å; D64-L85 WeakPolarHBondContact CA-O 3.46Å; F65-L85 HydrophobicContact CD1-CB 3.96Å; F65-L85 HydrophobicContact CD1-CD2 4.28Å; F65-L85 HydrophobicContact CD2-CB 4.09Å; F65-L85 HydrophobicContact CE1-CB 3.61Å; F65-L85 HydrophobicContact CE1-CD1 3.72Å; F65-L85 HydrophobicContact CE1-CD2 3.92Å; F65-L85 HydrophobicContact CE1-CG 3.94Å; F65-L85 HydrophobicContact CE2-CB 3.72Å; F65-L85 HydrophobicContact CG-CB 4.2Å; F65-L85 HydrophobicContact CZ-CB 3.48Å; F65-L85 VanDerWaalsContact CZ-CB 3.48Å; F65-L85 HydrophobicContact CZ-CD1 3.61Å; F65-L85 HydrophobicContact CZ-CG 4.04Å; F65-L85 PolarHBondContact N-O 2.9Å; F65-L85 VanDerWaalsContact N-O 3.08Å; F65-L85 PolarHBondContact O-N 3.36Å; L85-V90 HydrophobicContact CD1-CG2 3.99Å; L85-V90 HydrophobicContact CD2-CB 3.67Å; L85-V90 HydrophobicContact CD2-CG1 3.85Å; L85-V90 HydrophobicContact CD2-CG2 3.82Å; L85-V104 HydrophobicContact CD1-CB 4.24Å; L85-V104 HydrophobicContact CD1-CG1 4.03Å; L85-V104 HydrophobicContact CD1-CG2 4.14Å; L85-W108 HydrophobicContact CD1-CB 3.7Å; L85-L109 HydrophobicContact CB-CD2 4.11Å; L85-L109 HydrophobicContact CD1-CD2 4.17Å
86T98.8Very high98.3Very high1 Ų135.5 Ų35.51%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-142.4125.816760.70000110I63 D64 M122 T126 R275 W279I63-T86 WeakPolarHBondContact O-CA 3.31Å; D64-T86 HydrophobicContact CB-CG2 4.37Å; D64-T86 WeakPolarHBondContact OD1-CB 3.5Å; D64-T86 VanDerWaalsContact OD1-CG2 3.28Å; D64-T86 WeakPolarHBondContact OD1-CG2 3.42Å; T86-M122 HydrophobicContact CG2-CE 4.49Å; T86-T126 WeakPolarHBondContact CB-OG1 3.01Å; T86-R275 PolarHBondContact O-NH1 3.02Å; T86-R275 PolarHBondContact O-NH2 3.17Å; T86-R275 PolarHBondContact OG1-NH1 2.64Å; T86-W279 HydrophobicContact CG2-CZ2 3.84Å
87G98Very high98.3Very high2 Ų229.4 Ų29.42%0.02117%0.166CC..  trans84.5-135.9174.200000115I63 G89 V90I63-G87 PolarHBondContact O-N 3.5Å; G87-G89 PolarHBondContact O-N 2.98Å; G87-V90 WeakPolarHBondContact O-CB 3.28Å; G87-V90 PolarHBondContact O-N 2.83Å
88W98.3Very high98.3Very high38 Ų3828.4 Ų28.414%0.14416%0.161CC..THydrogen-bonded Turntrans57.115.7-176.2-59118.1000116.7V90 W108 V268 M269 T270W88-V90 VanDerWaalsContact C-N 3.25Å; W88-V90 PolarHBondContact O-N 3.17Å; W88-W108 HydrophobicContact CB-CB 4.07Å; W88-W108 HydrophobicContact CB-CD2 3.99Å; W88-W108 HydrophobicContact CB-CG 3.7Å; W88-W108 VanDerWaalsContact CD1-CA 3.46Å; W88-W108 AromaticContact CD1-CG 3.96Å; W88-W108 VanDerWaalsContact CD1-O 3.31Å; W88-W108 HydrophobicContact CG-CB 3.87Å; W88-W108 AromaticContact CG-CD1 3.72Å; W88-W108 AromaticContact CG-CG 3.8Å; W88-W108 HydrophobicContact CG-CG 3.8Å; W88-W108 PolarHBondContact NE1-O 2.77Å; W88-V268 PolarHBondContact N-O 3.45Å; W88-M269 HydrophobicContact CE3-CE 4.09Å; W88-M269 HydrophobicContact CE3-SD 3.82Å; W88-M269 HydrophobicContact CZ3-CB 4.5Å; W88-M269 HydrophobicContact CZ3-CE 3.92Å; W88-M269 HydrophobicContact CZ3-SD 4.07Å; W88-T270 VanDerWaalsContact CH2-O 3.25Å; W88-T270 WeakPolarHBondContact CH2-O 3.49Å; W88-T270 VanDerWaalsContact CZ2-O 3.28Å; W88-T270 WeakPolarHBondContact CZ2-O 3.42Å
89G97.2Very high98.3Very high5 Ų522.7 Ų22.75%0.05214%0.135CC..THydrogen-bonded Turntrans82.4-3.6-174.500000114.3G87 E92 N93 H94G87-G89 PolarHBondContact O-N 2.98Å; G89-E92 WeakPolarHBondContact O-CA 3.47Å; G89-E92 WeakPolarHBondContact O-CB 3.41Å; G89-E92 PolarHBondContact O-N 2.86Å; G89-N93 VanDerWaalsContact C-OD1 3.3Å; G89-N93 WeakPolarHBondContact CA-OD1 3.29Å; G89-N93 PolarHBondContact O-N 3.2Å; G89-N93 PolarHBondContact O-OD1 2.81Å; G89-H94 PolarHBondContact O-N 3.46Å
90V98.5Very high98.3Very high0 Ų022.5 Ų22.50%012%0.122CC..BIsolated β-bridgetrans-61.3136.8171.1179.90000109.4I63 F65 L85 G87 W88 E92 V104 W108I63-V90 WeakPolarHBondContact CA-O 3.36Å; I63-V90 WeakPolarHBondContact CG2-O 3.45Å; F65-V90 HydrophobicContact CE1-CG1 4.28Å; L85-V90 HydrophobicContact CD1-CG2 3.99Å; L85-V90 HydrophobicContact CD2-CB 3.67Å; L85-V90 HydrophobicContact CD2-CG1 3.85Å; L85-V90 HydrophobicContact CD2-CG2 3.82Å; G87-V90 WeakPolarHBondContact O-CB 3.28Å; G87-V90 PolarHBondContact O-N 2.83Å; W88-V90 VanDerWaalsContact C-N 3.25Å; W88-V90 PolarHBondContact O-N 3.17Å; V90-E92 PolarHBondContact O-N 2.84Å; V90-V104 HydrophobicContact CG2-CG1 4.32Å; V90-W108 HydrophobicContact CG2-CD2 4.46Å; V90-W108 HydrophobicContact CG2-CE3 3.55Å; V90-W108 HydrophobicContact CG2-CZ3 3.8Å
91G98.2Very high98.3Very high1 Ų120.7 Ų20.71%0.0110%0.1CC..THydrogen-bonded Turntrans76.3-0.2-171.600000114.7I54 H94I54-G91 WeakPolarHBondContact CD1-O 3.48Å; G91-H94 PolarHBondContact N-O 2.93Å
92E96.5Very high98.3Very high37 Ų3719.3 Ų19.317%0.1739%0.094CC..THydrogen-bonded Turntrans-121.4-52.2178.7-57.7179.7-110.900112.5K42 I53 M59 I63 G89 V90K42-E92 VanDerWaalsContact CD-CD 3.42Å; K42-E92 HydrophobicContact CD-CG 3.92Å; K42-E92 WeakPolarHBondContact CD-OE2 3.31Å; K42-E92 WeakPolarHBondContact CE-OE2 3.43Å; K42-E92 IonicContact NZ-OE1 3.17Å; K42-E92 PolarHBondContact NZ-OE1 2.89Å; K42-E92 IonicContact NZ-OE2 2.83Å; K42-E92 PolarHBondContact NZ-OE2 3.03Å; I53-E92 HydrophobicContact CG2-CG 4.04Å; M59-E92 WeakPolarHBondContact CE-O 3.38Å; I63-E92 HydrophobicContact CG2-CG 4.21Å; G89-E92 WeakPolarHBondContact O-CA 3.47Å; G89-E92 WeakPolarHBondContact O-CB 3.41Å; G89-E92 PolarHBondContact O-N 2.86Å; V90-E92 PolarHBondContact O-N 2.84Å
93N96.7Very high98.3Very high109 Ų10918.4 Ų18.458%0.5839%0.087SC*.THydrogen-bonded Turntrans-125.6-6.1-179.36324.9000113.3G89G89-N93 VanDerWaalsContact C-OD1 3.3Å; G89-N93 WeakPolarHBondContact CA-OD1 3.29Å; G89-N93 PolarHBondContact O-N 3.2Å; G89-N93 PolarHBondContact O-OD1 2.81Å
94H98.1Very high98.3Very high26 Ų2618.4 Ų18.412%0.129%0.087CC..BIsolated β-bridgetrans-132.8145.3173.7-166.992.9000108.7P26 E27 G89 G91 G96 R103 W108P26-H94 WeakPolarHBondContact CG-CE1 3.36Å; P26-H94 VanDerWaalsContact CG-NE2 3.27Å; P26-H94 WeakPolarHBondContact CG-NE2 3.49Å; E27-H94 PolarHBondContact O-CE1 2.94Å; G89-H94 PolarHBondContact O-N 3.46Å; G91-H94 PolarHBondContact N-O 2.93Å; H94-G96 PolarHBondContact O-N 3.14Å; H94-R103 PolarHBondContact NE2-O 3.27Å; H94-W108 HydrophobicContact CB-CZ3 4.32Å; H94-W108 AromaticContact CD2-CZ3 3.98Å; H94-W108 AromaticContact CG-CZ3 3.88Å
95W98.5Very high98.3Very high33 Ų3323.3 Ų23.313%0.12511%0.108CC..  trans-60.2133.8-178.9-77.114.4000111.7L5 L20 R24 L25 P26 P58 I60L5-W95 HydrophobicContact CD1-CZ2 4.39Å; L20-W95 HydrophobicContact CD1-CH2 4.25Å; L20-W95 HydrophobicContact CD1-CZ3 4.09Å; R24-W95 HydrophobicContact CB-CH2 4.02Å; R24-W95 HydrophobicContact CB-CZ3 3.99Å; R24-W95 WeakPolarHBondContact O-CZ3 3.33Å; L25-W95 HydrophobicContact CD2-CE3 4Å; L25-W95 HydrophobicContact CD2-CZ3 4.46Å; P26-W95 HydrophobicContact CG-CB 3.97Å; P26-W95 HydrophobicContact CG-CG 4.36Å; P58-W95 HydrophobicContact CG-CZ2 4.42Å; P58-W95 PolarHBondContact O-NE1 3.2Å; P58-W95 VanDerWaalsContact O-NE1 3.12Å; I60-W95 HydrophobicContact CB-CB 3.97Å; I60-W95 HydrophobicContact CB-CD2 4.24Å; I60-W95 HydrophobicContact CB-CG 4.03Å; I60-W95 HydrophobicContact CD1-CB 4.44Å; I60-W95 HydrophobicContact CD1-CD2 3.79Å; I60-W95 HydrophobicContact CD1-CE3 3.22Å; I60-W95 HydrophobicContact CD1-CG 4.34Å; I60-W95 HydrophobicContact CD1-CH2 4.47Å; I60-W95 HydrophobicContact CD1-CZ3 3.62Å; I60-W95 HydrophobicContact CG1-CB 4.42Å; I60-W95 HydrophobicContact CG1-CD2 3.76Å; I60-W95 HydrophobicContact CG1-CE3 3.73Å; I60-W95 HydrophobicContact CG1-CG 4.11Å; I60-W95 HydrophobicContact CG1-CZ3 4.18Å
96G98.5Very high98.3Very high1 Ų123.4 Ų23.41%0.0111%0.109CC..  trans-104.5-163-164.700000116.7I60 P61 G62 H94I60-G96 PolarHBondContact O-N 3.49Å; P61-G96 CarbonylContact O-C 3.57Å; P61-G96 WeakPolarHBondContact O-CA 3.48Å; G62-G96 CarbonylContact O-C 3.53Å; G62-G96 VanDerWaalsContact O-CA 3.29Å; G62-G96 WeakPolarHBondContact O-CA 3.46Å; H94-G96 PolarHBondContact O-N 3.14Å
97G98.6Very high98.2Very high0 Ų028 Ų280%013%0.133CC..SBendtrans-83.9-4.8-169.500000116.7S37 P61 G62 A99S37-G97 WeakPolarHBondContact CB-O 3.39Å; P61-G97 PolarHBondContact O-N 3.14Å; G62-G97 PolarHBondContact O-N 3.41Å; G97-A99 PolarHBondContact O-N 2.8Å
98L98.8Very high98.3Very high0 Ų029.8 Ų29.80%014%0.14CC..SBendtrans-84.953.4176.2-67.5168.8000110.9L4 L39 I47 P61 L300 V321L4-L98 HydrophobicContact CB-CB 4.11Å; L4-L98 HydrophobicContact CD2-CD1 4.08Å; L4-L98 PolarHBondContact N-O 3.11Å; L39-L98 HydrophobicContact CD2-CD1 3.75Å; L39-L98 HydrophobicContact CD2-CD2 4.22Å; I47-L98 HydrophobicContact CD1-CD1 3.94Å; P61-L98 HydrophobicContact CB-CD1 4.25Å; P61-L98 HydrophobicContact CG-CD1 3.89Å; P61-L98 WeakPolarHBondContact O-CB 3.33Å; P61-L98 PolarHBondContact O-N 3.28Å; P61-L98 VanDerWaalsContact O-N 3.08Å; L98-L300 HydrophobicContact CB-CD1 3.81Å; L98-L300 HydrophobicContact CD2-CD1 4.02Å; L98-L300 WeakPolarHBondContact O-CD1 3.43Å; L98-V321 HydrophobicContact CD2-CB 4.08Å; L98-V321 HydrophobicContact CD2-CG1 3.91Å; L98-V321 HydrophobicContact CD2-CG2 3.89Å
99A98.6Very high98.3Very high0 Ų028.6 Ų28.60%014%0.136CC..BIsolated β-bridgetrans-156.7150.9179.700000110.5M1 Q2 A3 V34 I60 G97 Q101 V323M1-A99 HydrophobicContact CE-CB 4.28Å; M1-A99 HydrophobicContact SD-CB 4.09Å; Q2-A99 WeakPolarHBondContact O-CA 3.47Å; A3-A99 HydrophobicContact CB-CB 3.52Å; V34-A99 VanDerWaalsContact CB-O 3.22Å; V34-A99 WeakPolarHBondContact CB-O 3.36Å; I60-A99 HydrophobicContact CD1-CB 4.08Å; I60-A99 HydrophobicContact CG2-CB 3.85Å; G97-A99 PolarHBondContact O-N 2.8Å; A99-Q101 PolarHBondContact O-N 3.03Å; A99-Q101 VanDerWaalsContact O-N 3.13Å; A99-V323 VanDerWaalsContact C-CG1 3.45Å; A99-V323 WeakPolarHBondContact O-CG1 3.46Å
100E98.5Very high98.3Very high64 Ų6429.5 Ų29.530%0.29914%0.141SC..SBendtrans-59.1-22.4176.9-75.2173.7171.900113.2M1 Q2 V34 V323M1-E100 WeakPolarHBondContact CA-OE2 3.24Å; M1-E100 HydrophobicContact CB-CB 4.09Å; Q2-E100 HydrophobicContact CB-CG 4.18Å; Q2-E100 VanDerWaalsContact N-CD 3.29Å; Q2-E100 PolarHBondContact N-OE2 3.48Å; Q2-E100 PolarHBondContact O-N 3.47Å; V34-E100 PolarHBondContact N-O 3.11Å; E100-V323 HydrophobicContact CB-CG1 4.4Å; E100-V323 HydrophobicContact CG-CG1 4.11Å
101Q98.4Very high98.3Very high15 Ų1531.9 Ų31.97%0.0716%0.16CC..EExtended strand (participates in β ladder)trans-139.7144.1177.4-65.8179.9-42.100111.2M1 L25 V32 D33 R70 A99M1-Q101 HydrophobicContact CB-CG 4.41Å; M1-Q101 HydrophobicContact CG-CB 4.46Å; L25-Q101 HydrophobicContact CD1-CB 4.04Å; V32-Q101 VanDerWaalsContact O-CA 3.32Å; V32-Q101 WeakPolarHBondContact O-CA 3.34Å; D33-Q101 PolarHBondContact OD1-NE2 3.47Å; R70-Q101 VanDerWaalsContact CZ-NE2 3.28Å; A99-Q101 PolarHBondContact O-N 3.03Å; A99-Q101 VanDerWaalsContact O-N 3.13Å
102A98.7Very high98.3Very high2 Ų233.3 Ų33.32%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-133.7144.1171.500000110.4T31 V32 V34 F65T31-A102 WeakPolarHBondContact CA-O 3.27Å; V32-A102 PolarHBondContact N-O 2.87Å; V32-A102 PolarHBondContact O-N 2.94Å; V34-A102 HydrophobicContact CG2-CB 4Å; F65-A102 HydrophobicContact CD1-CB 4.31Å; F65-A102 HydrophobicContact CE1-CB 3.96Å; F65-A102 HydrophobicContact CZ-CB 4.2Å
103R98.8Very high98.4Very high52 Ų5232.5 Ų32.520%0.19617%0.165CC..EExtended strand (participates in β ladder)trans-119.2124173-168179.4-59144.5-1.7109.5E22 L25 P26 G28 V30 T31 H94E22-R103 IonicContact OE1-NH2 2.67Å; L25-R103 HydrophobicContact CB-CB 4.14Å; L25-R103 HydrophobicContact CD1-CB 4.23Å; P26-R103 WeakPolarHBondContact O-CD 3.4Å; G28-R103 WeakPolarHBondContact O-CD 3.28Å; V30-R103 WeakPolarHBondContact O-CA 3.21Å; T31-R103 PolarHBondContact OG1-NE 3.32Å; T31-R103 VanDerWaalsContact OG1-NE 3.11Å; H94-R103 PolarHBondContact NE2-O 3.27Å
104V98.8Very high98.4Very high0 Ų036.4 Ų36.40%018%0.18CC..EExtended strand (participates in β ladder)trans-140.9175.5-170.7-64.70000111.4G28 D29 V30 F65 L85 V90 W108 L109G28-V104 CarbonylContact C-O 3.52Å; G28-V104 WeakPolarHBondContact CA-O 3.22Å; D29-V104 PolarHBondContact N-O 3.4Å; V30-V104 PolarHBondContact N-O 2.8Å; V30-V104 VanDerWaalsContact N-O 3.09Å; V30-V104 PolarHBondContact O-N 2.56Å; F65-V104 HydrophobicContact CE1-CG1 4Å; F65-V104 HydrophobicContact CZ-CG1 3.93Å; F65-V104 HydrophobicContact CZ-CG2 4.02Å; L85-V104 HydrophobicContact CD1-CB 4.24Å; L85-V104 HydrophobicContact CD1-CG1 4.03Å; L85-V104 HydrophobicContact CD1-CG2 4.14Å; V90-V104 HydrophobicContact CG2-CG1 4.32Å; V104-W108 HydrophobicContact CB-CE3 3.92Å; V104-W108 HydrophobicContact CB-CZ3 4.43Å; V104-W108 HydrophobicContact CG1-CE3 4.27Å; V104-L109 HydrophobicContact CG2-CD1 4.02Å; V104-L109 HydrophobicContact CG2-CD2 3.93Å; V104-L109 HydrophobicContact CG2-CG 3.85Å
105K98.6Very high98.2Very high104 Ų10438.3 Ų38.345%0.45221%0.206SC..  trans-80142.2169.1-57.9-172.9-175.4-179.10111D29 D107 W108D29-K105 WeakPolarHBondContact OD1-CA 3.18Å; K105-D107 PolarHBondContact O-N 2.93Å; K105-W108 HydrophobicContact CB-CD2 3.85Å; K105-W108 HydrophobicContact CB-CE3 4.23Å; K105-W108 HydrophobicContact CB-CG 4.13Å; K105-W108 HydrophobicContact CB-CZ2 4.38Å; K105-W108 HydrophobicContact CD-CH2 4.13Å; K105-W108 HydrophobicContact CD-CZ2 3.57Å; K105-W108 HydrophobicContact CG-CD2 4.24Å; K105-W108 HydrophobicContact CG-CE3 4.39Å; K105-W108 HydrophobicContact CG-CH2 4.08Å; K105-W108 HydrophobicContact CG-CZ2 3.92Å; K105-W108 HydrophobicContact CG-CZ3 4.3Å; K105-W108 WeakPolarHBondContact O-CB 3.42Å; K105-W108 PolarHBondContact O-N 3.31Å
106G98.4Very high98.1Very high1 Ų137.5 Ų37.51%0.0120%0.204CC..G310 helixtrans-59.3-32.5176.300000112.3D29 F77 W108 L109D29-G106 PolarHBondContact OD1-N 2.84Å; D29-G106 PolarHBondContact OD2-N 2.71Å; F77-G106 VanDerWaalsContact CE2-O 3.27Å; F77-G106 WeakPolarHBondContact CE2-O 3.4Å; G106-W108 PolarHBondContact O-N 3.03Å; G106-W108 VanDerWaalsContact O-N 3.09Å; G106-L109 PolarHBondContact O-N 2.77Å; G106-L109 VanDerWaalsContact O-N 3.14Å
107D98.1Very high98Very high97 Ų9741.1 Ų41.152%0.51922%0.223SC..G310 helixtrans-59.3-20.9175.3-73.3-20.5000114.1R76 K105R76-D107 IonicContact CZ-OD1 2.8Å; R76-D107 VanDerWaalsContact CZ-OD1 3.23Å; R76-D107 IonicContact NH1-OD1 2.69Å; R76-D107 PolarHBondContact NH1-OD1 2.89Å; R76-D107 IonicContact NH2-OD1 3.93Å; R76-D107 PolarHBondContact NH2-OD1 3.5Å; K105-D107 PolarHBondContact O-N 2.93Å
108W98.6Very high98Very high40 Ų4041.5 Ų41.515%0.15223%0.226CC..G310 helixtrans-93.4-16.8-177.2-57.1-14.7000112.9L85 W88 V90 H94 V104 K105 G106L85-W108 HydrophobicContact CD1-CB 3.7Å; W88-W108 HydrophobicContact CB-CB 4.07Å; W88-W108 HydrophobicContact CB-CD2 3.99Å; W88-W108 HydrophobicContact CB-CG 3.7Å; W88-W108 VanDerWaalsContact CD1-CA 3.46Å; W88-W108 AromaticContact CD1-CG 3.96Å; W88-W108 VanDerWaalsContact CD1-O 3.31Å; W88-W108 HydrophobicContact CG-CB 3.87Å; W88-W108 AromaticContact CG-CD1 3.72Å; W88-W108 AromaticContact CG-CG 3.8Å; W88-W108 HydrophobicContact CG-CG 3.8Å; W88-W108 PolarHBondContact NE1-O 2.77Å; V90-W108 HydrophobicContact CG2-CD2 4.46Å; V90-W108 HydrophobicContact CG2-CE3 3.55Å; V90-W108 HydrophobicContact CG2-CZ3 3.8Å; H94-W108 HydrophobicContact CB-CZ3 4.32Å; H94-W108 AromaticContact CD2-CZ3 3.98Å; H94-W108 AromaticContact CG-CZ3 3.88Å; V104-W108 HydrophobicContact CB-CE3 3.92Å; V104-W108 HydrophobicContact CB-CZ3 4.43Å; V104-W108 HydrophobicContact CG1-CE3 4.27Å; K105-W108 HydrophobicContact CB-CD2 3.85Å; K105-W108 HydrophobicContact CB-CE3 4.23Å; K105-W108 HydrophobicContact CB-CG 4.13Å; K105-W108 HydrophobicContact CB-CZ2 4.38Å; K105-W108 HydrophobicContact CD-CH2 4.13Å; K105-W108 HydrophobicContact CD-CZ2 3.57Å; K105-W108 HydrophobicContact CG-CD2 4.24Å; K105-W108 HydrophobicContact CG-CE3 4.39Å; K105-W108 HydrophobicContact CG-CH2 4.08Å; K105-W108 HydrophobicContact CG-CZ2 3.92Å; K105-W108 HydrophobicContact CG-CZ3 4.3Å; K105-W108 WeakPolarHBondContact O-CB 3.42Å; K105-W108 PolarHBondContact O-N 3.31Å; G106-W108 PolarHBondContact O-N 3.03Å; G106-W108 VanDerWaalsContact O-N 3.09Å
109L98.7Very high98Very high14 Ų1445.4 Ų45.47%0.07324%0.241CC..  trans-85.5150.4-178.2-69.9173.8000111.5V30 V32 F65 F77 V83 L85 V104 G106V30-L109 HydrophobicContact CB-CD1 3.74Å; V30-L109 HydrophobicContact CG1-CD1 3.53Å; V30-L109 HydrophobicContact CG2-CD1 3.9Å; V32-L109 HydrophobicContact CG2-CD1 4.37Å; V32-L109 HydrophobicContact CG2-CD2 4.48Å; F65-L109 HydrophobicContact CE2-CD2 3.81Å; F65-L109 HydrophobicContact CZ-CD2 3.97Å; F77-L109 HydrophobicContact CD1-CD1 4.36Å; F77-L109 HydrophobicContact CE1-CB 3.76Å; F77-L109 HydrophobicContact CE1-CD1 4.22Å; F77-L109 HydrophobicContact CE2-CB 4.15Å; F77-L109 HydrophobicContact CE2-CD1 4.39Å; F77-L109 HydrophobicContact CZ-CB 3.46Å; F77-L109 VanDerWaalsContact CZ-CB 3.46Å; F77-L109 HydrophobicContact CZ-CD1 4.24Å; F77-L109 HydrophobicContact CZ-CG 4.49Å; V83-L109 HydrophobicContact CB-CD2 4.16Å; V83-L109 HydrophobicContact CG2-CD1 4.39Å; V83-L109 HydrophobicContact CG2-CD2 3.97Å; L85-L109 HydrophobicContact CB-CD2 4.11Å; L85-L109 HydrophobicContact CD1-CD2 4.17Å; V104-L109 HydrophobicContact CG2-CD1 4.02Å; V104-L109 HydrophobicContact CG2-CD2 3.93Å; V104-L109 HydrophobicContact CG2-CG 3.85Å; G106-L109 PolarHBondContact O-N 2.77Å; G106-L109 VanDerWaalsContact O-N 3.14Å
110V98.6Very high98Very high24 Ų2447.1 Ų47.115%0.14525%0.249CC..EExtended strand (participates in β ladder)trans-119127.5166.6-1800000106.7V83 L84 M112 R275V83-V110 WeakPolarHBondContact CA-O 3.19Å; L84-V110 HydrophobicContact CD1-CB 3.76Å; L84-V110 HydrophobicContact CD1-CG1 4.4Å; L84-V110 HydrophobicContact CD1-CG2 4.22Å; L84-V110 HydrophobicContact CG-CB 4.09Å; L84-V110 PolarHBondContact N-O 2.84Å; L84-V110 PolarHBondContact O-N 3.47Å; V110-M112 PolarHBondContact O-N 2.52Å; V110-R275 HydrophobicContact CG2-CG 3.92Å
111A98.4Very high98Very high49 Ų4944 Ų4441%0.40523%0.234SC..EExtended strand (participates in β ladder)trans-58.7136.4169.300000109.1P113A111-P113 VanDerWaalsContact O-CD 3.31Å; A111-P113 WeakPolarHBondContact O-CD 3.49Å; A111-P113 VanDerWaalsContact O-N 3.11Å
112M98.6Very high98Very high32 Ų3243.3 Ų43.316%0.15823%0.231CC..PPolyproline II helixtrans-54120.8-174.9-172.761.16400110.7A66 E82 L84 V110 L116 A118 A121A66-M112 HydrophobicContact CB-CE 4.02Å; E82-M112 HydrophobicContact CB-CB 3.72Å; E82-M112 HydrophobicContact CB-CG 4.36Å; E82-M112 WeakPolarHBondContact O-CB 3.4Å; E82-M112 PolarHBondContact O-N 3.41Å; L84-M112 HydrophobicContact CB-CE 4.09Å; L84-M112 HydrophobicContact CD2-CE 4.29Å; L84-M112 HydrophobicContact CD2-SD 3.93Å; V110-M112 PolarHBondContact O-N 2.52Å; M112-L116 VanDerWaalsContact CG-O 3.29Å; M112-L116 WeakPolarHBondContact CG-O 3.49Å; M112-L116 HydrophobicContact SD-CB 4.02Å; M112-L116 HydrophobicContact SD-CD2 4.04Å; M112-L116 HydrophobicContact SD-CG 4.07Å; M112-A118 HydrophobicContact CE-CB 4.24Å; M112-A121 HydrophobicContact CE-CB 3.92Å; M112-A121 HydrophobicContact SD-CB 3.89Å
113P97.7Very high98Very high20 Ų2043.2 Ų43.213%0.1323%0.23CC..PPolyproline II helixtrans-58.5140.1177.7-2533.6000111.7L84 A111 G115 L116 W279 V283L84-P113 HydrophobicContact CD2-CG 4.4Å; A111-P113 VanDerWaalsContact O-CD 3.31Å; A111-P113 WeakPolarHBondContact O-CD 3.49Å; A111-P113 VanDerWaalsContact O-N 3.11Å; P113-G115 PolarHBondContact O-N 3.15Å; P113-L116 HydrophobicContact CB-CB 4.37Å; P113-L116 HydrophobicContact CG-CD2 4.25Å; P113-L116 WeakPolarHBondContact O-CB 3.05Å; P113-L116 PolarHBondContact O-N 2.86Å; P113-W279 HydrophobicContact CG-CB 3.84Å; P113-W279 HydrophobicContact CG-CG 4.32Å; P113-V283 HydrophobicContact CB-CG2 3.94Å
114Q95.9Very high98Very high191 Ų19140.8 Ų40.889%0.89322%0.221SC*.THydrogen-bonded Turntrans-57132175.6-175.1-1793.400110.5L116 V283Q114-L116 VanDerWaalsContact C-N 3.34Å; Q114-V283 WeakPolarHBondContact O-CG1 3.45Å
115G94.2Very high98Very high66 Ų6640.8 Ų40.868%0.6822%0.221SC*.THydrogen-bonded Turntrans89.7-4.8-177.700000114.3P113P113-G115 PolarHBondContact O-N 3.15Å
116L96.7Very high98Very high15 Ų1536.4 Ų36.48%0.07920%0.203CC..  trans-107.7139.9173.4-158.265000110.3L84 M112 P113 Q114 K120 A121 I124 W279 V283L84-L116 HydrophobicContact CD2-CD2 4.28Å; M112-L116 VanDerWaalsContact CG-O 3.29Å; M112-L116 WeakPolarHBondContact CG-O 3.49Å; M112-L116 HydrophobicContact SD-CB 4.02Å; M112-L116 HydrophobicContact SD-CD2 4.04Å; M112-L116 HydrophobicContact SD-CG 4.07Å; P113-L116 HydrophobicContact CB-CB 4.37Å; P113-L116 HydrophobicContact CG-CD2 4.25Å; P113-L116 WeakPolarHBondContact O-CB 3.05Å; P113-L116 PolarHBondContact O-N 2.86Å; Q114-L116 VanDerWaalsContact C-N 3.34Å; L116-K120 HydrophobicContact CD1-CB 3.5Å; L116-K120 HydrophobicContact CG-CB 4.3Å; L116-A121 HydrophobicContact CD2-CB 3.73Å; L116-A121 HydrophobicContact CG-CB 4.07Å; L116-I124 HydrophobicContact CD1-CD1 3.92Å; L116-I124 HydrophobicContact CD2-CD1 4.41Å; L116-W279 HydrophobicContact CD2-CE3 3.83Å; L116-W279 HydrophobicContact CD2-CZ3 3.76Å; L116-V283 HydrophobicContact CB-CG2 4.06Å; L116-V283 HydrophobicContact CD1-CG2 4.48Å; L116-V283 HydrophobicContact CD2-CG2 4.47Å
117D97.5Very high98.1Very high77 Ų7736.7 Ų36.741%0.41221%0.205SC..  trans-106.7165.4167.864.549000110.2R119 K120 A121D117-R119 PolarHBondContact O-N 3.36Å; D117-R119 WeakPolarHBondContact OD1-CA 3.35Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.86Å; D117-K120 PolarHBondContact O-N 2.63Å; D117-K120 WeakPolarHBondContact OD1-CG 3.29Å; D117-K120 PolarHBondContact OD1-N 3.08Å; D117-A121 WeakPolarHBondContact O-CB 3.43Å; D117-A121 PolarHBondContact O-N 3.34Å
118A98.3Very high98.1Very high8 Ų832.1 Ų32.17%0.06618%0.181CC..Hα-helixtrans-56.8-33.7-178.500000113.3A66 M112 M122A66-A118 HydrophobicContact CB-CB 3.73Å; M112-A118 HydrophobicContact CE-CB 4.24Å; A118-M122 PolarHBondContact O-N 3.35Å
119R98.5Very high98.1Very high83 Ų8330.2 Ų30.231%0.31317%0.174SC..Hα-helixtrans-68.7-51.5179.2-170.1-179.4178.7-86.9-2.8110.7W36 D117 A121 M122 I123 E297 L320W36-R119 HydrophobicContact CD2-CB 4.17Å; W36-R119 HydrophobicContact CD2-CG 4.04Å; W36-R119 HydrophobicContact CE3-CG 4.27Å; W36-R119 HydrophobicContact CG-CB 4.41Å; W36-R119 HydrophobicContact CH2-CG 3.98Å; W36-R119 HydrophobicContact CZ2-CB 4.1Å; W36-R119 HydrophobicContact CZ2-CG 3.75Å; W36-R119 HydrophobicContact CZ3-CG 4.23Å; D117-R119 PolarHBondContact O-N 3.36Å; D117-R119 WeakPolarHBondContact OD1-CA 3.35Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 2.86Å; R119-A121 VanDerWaalsContact C-N 3.32Å; R119-A121 PolarHBondContact O-N 2.83Å; R119-M122 PolarHBondContact O-N 2.95Å; R119-I123 HydrophobicContact CG-CD1 4.43Å; R119-I123 WeakPolarHBondContact O-CG1 3.33Å; R119-I123 PolarHBondContact O-N 2.87Å; R119-E297 IonicContact CZ-OE2 3.6Å; R119-E297 IonicContact NE-OE2 2.8Å; R119-E297 PolarHBondContact NE-OE2 3.12Å; R119-E297 VanDerWaalsContact NE-OE2 3.17Å; R119-E297 IonicContact NH2-OE2 3.77Å; R119-E297 PolarHBondContact NH2-OE2 3.38Å; R119-L320 HydrophobicContact CG-CD2 3.73Å
120K98.4Very high98.1Very high35 Ų3529.8 Ų29.815%0.15217%0.172CC..Hα-helixtrans-62.1-39.3177-70.9-176.5-179.2-174.10111.7L116 D117 M122 I123 I124 E288 Y291L116-K120 HydrophobicContact CD1-CB 3.5Å; L116-K120 HydrophobicContact CG-CB 4.3Å; D117-K120 PolarHBondContact O-N 2.63Å; D117-K120 WeakPolarHBondContact OD1-CG 3.29Å; D117-K120 PolarHBondContact OD1-N 3.08Å; K120-M122 PolarHBondContact O-N 2.86Å; K120-I123 PolarHBondContact O-N 2.82Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.98Å; K120-E288 VanDerWaalsContact CE-OE1 3.31Å; K120-E288 WeakPolarHBondContact CE-OE1 3.46Å; K120-E288 IonicContact NZ-OE1 3.23Å; K120-E288 PolarHBondContact NZ-OE1 2.72Å; K120-E288 IonicContact NZ-OE2 3.59Å; K120-E288 PolarHBondContact NZ-OE2 2.97Å; K120-Y291 HydrophobicContact CB-CD1 3.96Å; K120-Y291 HydrophobicContact CB-CE1 3.78Å; K120-Y291 HydrophobicContact CD-CD1 4.36Å; K120-Y291 HydrophobicContact CD-CD2 3.99Å; K120-Y291 HydrophobicContact CD-CE1 4.29Å; K120-Y291 HydrophobicContact CD-CE2 3.93Å; K120-Y291 HydrophobicContact CD-CG 4.22Å; K120-Y291 HydrophobicContact CG-CD1 3.84Å; K120-Y291 HydrophobicContact CG-CD2 4.27Å; K120-Y291 HydrophobicContact CG-CE1 4.02Å; K120-Y291 HydrophobicContact CG-CE2 4.45Å; K120-Y291 HydrophobicContact CG-CG 3.97Å
121A98.7Very high98.1Very high0 Ų028.7 Ų28.70%017%0.165CC..Hα-helixtrans-56.2-40.3175.300000112A66 L84 M112 L116 D117 R119 I124 G125A66-A121 HydrophobicContact CB-CB 4.26Å; L84-A121 HydrophobicContact CB-CB 4.45Å; L84-A121 HydrophobicContact CD2-CB 3.95Å; M112-A121 HydrophobicContact CE-CB 3.92Å; M112-A121 HydrophobicContact SD-CB 3.89Å; L116-A121 HydrophobicContact CD2-CB 3.73Å; L116-A121 HydrophobicContact CG-CB 4.07Å; D117-A121 WeakPolarHBondContact O-CB 3.43Å; D117-A121 PolarHBondContact O-N 3.34Å; R119-A121 VanDerWaalsContact C-N 3.32Å; R119-A121 PolarHBondContact O-N 2.83Å; A121-I124 WeakPolarHBondContact O-CB 3.5Å; A121-I124 PolarHBondContact O-N 3.44Å; A121-G125 PolarHBondContact O-N 3.37Å
122M98.8Very high98.2Very high0 Ų026.3 Ų26.30%015%0.146CC..Hα-helixtrans-85.3-24.3179.8-68.4-63.6103.900114.3W36 S38 D64 F65 A66 L84 T86 A118 R119 K120 I124 G125 L320W36-M122 HydrophobicContact CB-CB 3.84Å; W36-M122 HydrophobicContact CB-CG 3.61Å; W36-M122 WeakPolarHBondContact O-CG 3.29Å; S38-M122 VanDerWaalsContact CB-O 3.28Å; S38-M122 WeakPolarHBondContact CB-O 3.44Å; D64-M122 HydrophobicContact CB-CE 4.09Å; D64-M122 HydrophobicContact CB-SD 3.57Å; D64-M122 VanDerWaalsContact CB-SD 3.57Å; F65-M122 VanDerWaalsContact C-CE 3.47Å; F65-M122 WeakPolarHBondContact CA-SD 3.26Å; F65-M122 VanDerWaalsContact O-CE 3.28Å; F65-M122 WeakPolarHBondContact O-CE 3.22Å; A66-M122 HydrophobicContact CB-CE 4.03Å; A66-M122 HydrophobicContact CB-CG 3.74Å; A66-M122 HydrophobicContact CB-SD 4.36Å; L84-M122 HydrophobicContact CB-CE 4.38Å; T86-M122 HydrophobicContact CG2-CE 4.49Å; A118-M122 PolarHBondContact O-N 3.35Å; R119-M122 PolarHBondContact O-N 2.95Å; K120-M122 PolarHBondContact O-N 2.86Å; M122-I124 VanDerWaalsContact C-N 3.25Å; M122-I124 PolarHBondContact O-N 2.8Å; M122-G125 PolarHBondContact O-N 2.78Å; M122-L320 HydrophobicContact CB-CD1 3.55Å
123I98.7Very high98.2Very high0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-59.7-42.8164.9-67.1168.1000109.6R119 K120 F290 Y291 A295 R318 L320R119-I123 HydrophobicContact CG-CD1 4.43Å; R119-I123 WeakPolarHBondContact O-CG1 3.33Å; R119-I123 PolarHBondContact O-N 2.87Å; K120-I123 PolarHBondContact O-N 2.82Å; I123-F290 HydrophobicContact CG2-CD1 4.47Å; I123-F290 HydrophobicContact CG2-CE1 4.1Å; I123-Y291 HydrophobicContact CB-CD1 4.21Å; I123-Y291 HydrophobicContact CD1-CD1 4.33Å; I123-Y291 HydrophobicContact CG2-CD1 4.02Å; I123-A295 HydrophobicContact CD1-CB 3.72Å; I123-A295 HydrophobicContact CG1-CB 3.77Å; I123-A295 HydrophobicContact CG2-CB 4.08Å; I123-R318 VanDerWaalsContact O-CG 3.26Å; I123-R318 WeakPolarHBondContact O-CG 3.29Å; I123-R318 PolarHBondContact O-NE 3.31Å; I123-L320 HydrophobicContact CD1-CD2 4.24Å; I123-L320 HydrophobicContact CG1-CB 4.41Å; I123-L320 HydrophobicContact CG1-CD1 4.12Å; I123-L320 HydrophobicContact CG1-CD2 3.88Å; I123-L320 HydrophobicContact CG1-CG 4.37Å
124I98.8Very high98.2Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-64.4-63.9171.4-64.2166.4000109.3L116 K120 A121 M122 G128 W279 L282 L286 Y291 R318L116-I124 HydrophobicContact CD1-CD1 3.92Å; L116-I124 HydrophobicContact CD2-CD1 4.41Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.98Å; A121-I124 WeakPolarHBondContact O-CB 3.5Å; A121-I124 PolarHBondContact O-N 3.44Å; M122-I124 VanDerWaalsContact C-N 3.25Å; M122-I124 PolarHBondContact O-N 2.8Å; I124-G128 WeakPolarHBondContact O-CA 3.33Å; I124-G128 PolarHBondContact O-N 3.05Å; I124-W279 HydrophobicContact CB-CH2 4.18Å; I124-W279 HydrophobicContact CB-CZ3 3.99Å; I124-W279 HydrophobicContact CD1-CZ3 3.92Å; I124-W279 HydrophobicContact CG2-CH2 3.82Å; I124-W279 HydrophobicContact CG2-CZ3 3.69Å; I124-L282 HydrophobicContact CD1-CB 4.24Å; I124-L282 HydrophobicContact CD1-CD2 4.47Å; I124-L282 HydrophobicContact CG2-CD1 3.62Å; I124-L282 HydrophobicContact CG2-CD2 3.93Å; I124-L282 HydrophobicContact CG2-CG 4.34Å; I124-L286 HydrophobicContact CD1-CD1 4.44Å; I124-L286 HydrophobicContact CG1-CD1 4.07Å; I124-Y291 HydrophobicContact CD1-CE1 4.03Å; I124-Y291 HydrophobicContact CG1-CE1 3.99Å; I124-R318 PolarHBondContact O-NE 3.26Å; I124-R318 PolarHBondContact O-NH2 2.88Å; I124-R318 VanDerWaalsContact O-NH2 3.07Å
125G98.6Very high98.4Very high0 Ų015.3 Ų15.30%09%0.092CC..Hα-helixtrans50-160.6-177.300000114D64 A121 M122 A127 G128 F129D64-G125 WeakPolarHBondContact OD2-CA 3.48Å; A121-G125 PolarHBondContact O-N 3.37Å; M122-G125 PolarHBondContact O-N 2.78Å; G125-A127 VanDerWaalsContact C-N 3.26Å; G125-A127 PolarHBondContact O-N 2.97Å; G125-G128 PolarHBondContact O-N 3.3Å; G125-F129 VanDerWaalsContact O-CB 3.24Å; G125-F129 WeakPolarHBondContact O-CB 3.39Å; G125-F129 PolarHBondContact O-N 2.93Å
126T98.8Very high98.6Very high13 Ų1312.2 Ų12.28%0.086%0.06CC..Hα-helixtrans-58.2-38.6177.3-79.80000111.6I63 D64 T86 T130I63-T126 HydrophobicContact CD1-CG2 3.78Å; D64-T126 VanDerWaalsContact CG-N 3.31Å; D64-T126 WeakPolarHBondContact OD1-CB 3.34Å; D64-T126 PolarHBondContact OD1-N 3.26Å; D64-T126 VanDerWaalsContact OD1-N 3.15Å; D64-T126 PolarHBondContact OD1-OG1 2.89Å; D64-T126 PolarHBondContact OD2-N 3.46Å; T86-T126 WeakPolarHBondContact CB-OG1 3.01Å; T126-T130 VanDerWaalsContact O-CB 3.3Å; T126-T130 WeakPolarHBondContact O-CB 3.42Å; T126-T130 PolarHBondContact O-N 3.02Å; T126-T130 PolarHBondContact O-OG1 3.05Å
127A98.7Very high98.7Very high7 Ų711.9 Ų11.96%0.0586%0.06CC..Hα-helixtrans-67.1-46-176.200000113.3N40 G125 T130 A131 V159 R318N40-A127 PolarHBondContact OD1-N 3.34Å; G125-A127 VanDerWaalsContact C-N 3.26Å; G125-A127 PolarHBondContact O-N 2.97Å; A127-T130 PolarHBondContact O-N 3.37Å; A127-A131 PolarHBondContact O-N 2.88Å; A127-V159 HydrophobicContact CB-CG2 3.76Å; A127-R318 VanDerWaalsContact CB-CZ 3.49Å
128G98.8Very high98.8Very high0 Ų08.3 Ų8.30%04%0.04CC..Hα-helixtrans-69.6-38.4177.100000112.2I124 G125 T130 A131 M132 T162I124-G128 WeakPolarHBondContact O-CA 3.33Å; I124-G128 PolarHBondContact O-N 3.05Å; G125-G128 PolarHBondContact O-N 3.3Å; G128-T130 PolarHBondContact O-N 2.9Å; G128-A131 WeakPolarHBondContact O-CB 3.19Å; G128-A131 PolarHBondContact O-N 2.98Å; G128-M132 PolarHBondContact O-N 3Å; G128-T162 VanDerWaalsContact CA-CG2 3.48Å; G128-T162 WeakPolarHBondContact CA-OG1 3.41Å
129F98.9Very high98.8Very high0 Ų010.8 Ų10.80%05%0.05CC..Hα-helixtrans-57.8-46.5171177.5-103000112.1G125 A131 M132 L133 T270 R275 A278 W279 L282G125-F129 VanDerWaalsContact O-CB 3.24Å; G125-F129 WeakPolarHBondContact O-CB 3.39Å; G125-F129 PolarHBondContact O-N 2.93Å; F129-A131 VanDerWaalsContact C-N 3.33Å; F129-A131 PolarHBondContact O-N 3.4Å; F129-M132 PolarHBondContact O-N 3.12Å; F129-L133 HydrophobicContact CD1-CD1 3.98Å; F129-L133 HydrophobicContact CE1-CD1 3.49Å; F129-L133 VanDerWaalsContact CE1-CD1 3.49Å; F129-L133 HydrophobicContact CE1-CG 4.24Å; F129-L133 HydrophobicContact CZ-CD1 3.92Å; F129-L133 HydrophobicContact CZ-CD2 4.4Å; F129-L133 HydrophobicContact CZ-CG 4.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.39Å; F129-T270 HydrophobicContact CE1-CG2 4.47Å; F129-T270 HydrophobicContact CZ-CG2 3.96Å; F129-R275 HydrophobicContact CE2-CB 4.24Å; F129-R275 HydrophobicContact CE2-CG 3.84Å; F129-R275 HydrophobicContact CZ-CB 4Å; F129-R275 HydrophobicContact CZ-CG 3.8Å; F129-A278 HydrophobicContact CD2-CB 4.04Å; F129-A278 HydrophobicContact CE2-CB 3.65Å; F129-A278 HydrophobicContact CZ-CB 4.48Å; F129-W279 HydrophobicContact CB-CZ2 4.48Å; F129-W279 AromaticContact CD2-CE2 3.98Å; F129-W279 HydrophobicContact CD2-CZ2 4.42Å; F129-W279 AromaticContact CD2-NE1 3.73Å; F129-W279 AromaticContact CE2-NE1 3.88Å; F129-L282 HydrophobicContact CB-CD1 4.49Å; F129-L282 HydrophobicContact CD2-CD1 4.46Å
130T98.9Very high98.8Very high6 Ų611.5 Ų11.54%0.0376%0.061CC..Hα-helixtrans-62.3-40.9176.1-54.20000111.4T126 A127 G128 M132 L133 C134 C240 V265 S267T126-T130 VanDerWaalsContact O-CB 3.3Å; T126-T130 WeakPolarHBondContact O-CB 3.42Å; T126-T130 PolarHBondContact O-N 3.02Å; T126-T130 PolarHBondContact O-OG1 3.05Å; A127-T130 PolarHBondContact O-N 3.37Å; G128-T130 PolarHBondContact O-N 2.9Å; T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 PolarHBondContact O-N 3.22Å; T130-L133 PolarHBondContact O-N 3.34Å; T130-C134 PolarHBondContact O-N 3.43Å; T130-C134 PolarHBondContact O-SG 3.04Å; T130-C134 VanDerWaalsContact O-SG 3.32Å; T130-C240 HydrophobicContact CG2-CB 3.54Å; T130-V265 HydrophobicContact CG2-CG1 4.24Å; T130-S267 VanDerWaalsContact OG1-CB 3.22Å; T130-S267 WeakPolarHBondContact OG1-CB 3.3Å; T130-S267 PolarHBondContact OG1-OG 3.22Å; T130-S267 VanDerWaalsContact OG1-OG 3.07Å
131A98.9Very high98.8Very high0 Ų011 Ų110%06%0.063CC..Hα-helixtrans-60.5-42.1175.900000112.2A127 G128 F129 C134 V135 V159 T162 A163 L166A127-A131 PolarHBondContact O-N 2.88Å; G128-A131 WeakPolarHBondContact O-CB 3.19Å; G128-A131 PolarHBondContact O-N 2.98Å; F129-A131 VanDerWaalsContact C-N 3.33Å; F129-A131 PolarHBondContact O-N 3.4Å; A131-C134 WeakPolarHBondContact O-CB 3.27Å; A131-C134 PolarHBondContact O-N 2.87Å; A131-V135 WeakPolarHBondContact O-CG2 3.49Å; A131-V135 PolarHBondContact O-N 3.09Å; A131-V159 HydrophobicContact CB-CG1 4.01Å; A131-T162 HydrophobicContact CB-CG2 4Å; A131-A163 HydrophobicContact CB-CB 4.08Å; A131-L166 HydrophobicContact CB-CD1 4.32Å
132M98.9Very high98.8Very high0 Ų013.1 Ų13.10%09%0.085CC..Hα-helixtrans-63.4-42.3175.4-170.166.8-119.500111.9G128 F129 T130 C134 V135 M136 L166 A278 R281 L282G128-M132 PolarHBondContact O-N 3Å; F129-M132 PolarHBondContact O-N 3.12Å; T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 PolarHBondContact O-N 3.22Å; M132-C134 VanDerWaalsContact C-N 3.28Å; M132-C134 PolarHBondContact O-N 2.79Å; M132-V135 HydrophobicContact CE-CB 3.9Å; M132-V135 HydrophobicContact CE-CG1 3.73Å; M132-V135 PolarHBondContact O-N 3.12Å; M132-M136 HydrophobicContact CE-CG 3.6Å; M132-M136 HydrophobicContact CE-SD 4.16Å; M132-M136 HydrophobicContact CG-SD 3.98Å; M132-M136 VanDerWaalsContact O-CG 3.28Å; M132-M136 WeakPolarHBondContact O-CG 3.46Å; M132-M136 PolarHBondContact O-N 2.88Å; M132-L166 HydrophobicContact CB-CD1 4.22Å; M132-L166 HydrophobicContact SD-CD1 3.96Å; M132-L166 HydrophobicContact SD-CD2 4.04Å; M132-A278 HydrophobicContact CG-CB 4.16Å; M132-R281 HydrophobicContact CE-CB 3.78Å; M132-R281 HydrophobicContact CE-CG 4.24Å; M132-R281 HydrophobicContact CG-CB 3.93Å; M132-R281 HydrophobicContact SD-CB 3.6Å; M132-R281 VanDerWaalsContact SD-CB 3.6Å; M132-L282 HydrophobicContact CB-CD1 4.17Å; M132-L282 HydrophobicContact CB-CD2 3.95Å; M132-L282 HydrophobicContact CB-CG 3.8Å; M132-L282 HydrophobicContact CG-CD2 4.45Å; M132-L282 HydrophobicContact CG-CG 3.95Å; M132-L282 HydrophobicContact SD-CG 4.46Å
133L98.9Very high98.8Very high10 Ų1013.5 Ų13.55%0.0529%0.088CC..Hα-helixtrans-60.9-38.1174.4-66.8176.1000112.2F129 T130 M136 A137 V265 T270 R274 A278F129-L133 HydrophobicContact CD1-CD1 3.98Å; F129-L133 HydrophobicContact CE1-CD1 3.49Å; F129-L133 VanDerWaalsContact CE1-CD1 3.49Å; F129-L133 HydrophobicContact CE1-CG 4.24Å; F129-L133 HydrophobicContact CZ-CD1 3.92Å; F129-L133 HydrophobicContact CZ-CD2 4.4Å; F129-L133 HydrophobicContact CZ-CG 4.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.39Å; T130-L133 PolarHBondContact O-N 3.34Å; L133-M136 HydrophobicContact CD2-SD 4.49Å; L133-M136 PolarHBondContact O-N 3.44Å; L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.24Å; L133-V265 HydrophobicContact CB-CG1 3.6Å; L133-V265 HydrophobicContact CD1-CG1 4.25Å; L133-T270 HydrophobicContact CD1-CG2 4.2Å; L133-T270 WeakPolarHBondContact CD1-OG1 3.23Å; L133-T270 HydrophobicContact CD2-CG2 4.07Å; L133-R274 HydrophobicContact CD2-CG 4.07Å; L133-A278 HydrophobicContact CD2-CB 3.91Å; L133-A278 HydrophobicContact CG-CB 4.49Å
134C98.9Very high98.8Very high0 Ų019.6 Ų19.60%011%0.111CC..Hα-helixtrans-64.5-43.6173.7-690000112.1T130 A131 M132 A137 L138 I216 A238T130-C134 PolarHBondContact O-N 3.43Å; T130-C134 PolarHBondContact O-SG 3.04Å; T130-C134 VanDerWaalsContact O-SG 3.32Å; A131-C134 WeakPolarHBondContact O-CB 3.27Å; A131-C134 PolarHBondContact O-N 2.87Å; M132-C134 VanDerWaalsContact C-N 3.28Å; M132-C134 PolarHBondContact O-N 2.79Å; C134-A137 WeakPolarHBondContact O-CB 3.37Å; C134-A137 PolarHBondContact O-N 2.94Å; C134-L138 WeakPolarHBondContact O-CG 3.37Å; C134-L138 PolarHBondContact O-N 2.85Å; C134-L138 VanDerWaalsContact O-N 3.1Å; C134-I216 HydrophobicContact CB-CB 4.41Å; C134-I216 HydrophobicContact CB-CD1 3.72Å; C134-I216 HydrophobicContact CB-CG1 3.88Å; C134-I216 HydrophobicContact CB-CG2 3.74Å; C134-A238 HydrophobicContact CB-CB 3.7Å
135V98.9Very high98.8Very high1 Ų121.8 Ų21.81%0.00613%0.125CC..Hα-helixtrans-59.7-47.8174.5169.90000110.5A131 M132 A137 L138 E139 L166 L167 L170 I216A131-V135 WeakPolarHBondContact O-CG2 3.49Å; A131-V135 PolarHBondContact O-N 3.09Å; M132-V135 HydrophobicContact CE-CB 3.9Å; M132-V135 HydrophobicContact CE-CG1 3.73Å; M132-V135 PolarHBondContact O-N 3.12Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.86Å; V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 2.81Å; V135-L138 VanDerWaalsContact O-N 3.07Å; V135-E139 WeakPolarHBondContact O-CG 3.35Å; V135-E139 PolarHBondContact O-N 2.88Å; V135-L166 HydrophobicContact CG2-CB 4.15Å; V135-L166 HydrophobicContact CG2-CD1 4.35Å; V135-L167 HydrophobicContact CG2-CD2 4.08Å; V135-L167 HydrophobicContact CG2-CG 4.13Å; V135-L170 HydrophobicContact CG1-CD1 3.55Å; V135-I216 HydrophobicContact CG2-CD1 3.81Å
136M98.9Very high98.7Very high2 Ų228 Ų281%0.0115%0.154CC..Hα-helixtrans-60.9-35.8177-66.7163.866.600112M132 L133 L138 E139 D140 Q277 A278M132-M136 HydrophobicContact CE-CG 3.6Å; M132-M136 HydrophobicContact CE-SD 4.16Å; M132-M136 HydrophobicContact CG-SD 3.98Å; M132-M136 VanDerWaalsContact O-CG 3.28Å; M132-M136 WeakPolarHBondContact O-CG 3.46Å; M132-M136 PolarHBondContact O-N 2.88Å; L133-M136 HydrophobicContact CD2-SD 4.49Å; L133-M136 PolarHBondContact O-N 3.44Å; M136-L138 VanDerWaalsContact C-N 3.35Å; M136-L138 PolarHBondContact O-N 3.1Å; M136-E139 PolarHBondContact O-N 3.27Å; M136-D140 WeakPolarHBondContact O-CB 3.42Å; M136-D140 PolarHBondContact O-N 2.95Å; M136-Q277 HydrophobicContact CE-CB 4.26Å; M136-Q277 VanDerWaalsContact CE-CD 3.48Å; M136-Q277 HydrophobicContact CE-CG 3.82Å; M136-A278 HydrophobicContact SD-CB 3.86Å
137A98.9Very high98.7Very high8 Ų830.3 Ų30.37%0.06617%0.165CC..Hα-helixtrans-65.1-35.5174.700000113.2L133 C134 V135 A141 A238 Q263 V265L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.24Å; C134-A137 WeakPolarHBondContact O-CB 3.37Å; C134-A137 PolarHBondContact O-N 2.94Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 2.86Å; A137-A141 PolarHBondContact O-N 2.83Å; A137-A238 HydrophobicContact CB-CB 4.22Å; A137-Q263 HydrophobicContact CB-CB 4.48Å; A137-Q263 HydrophobicContact CB-CG 3.87Å; A137-V265 HydrophobicContact CB-CG2 4.42Å
138L98.9Very high98.7Very high1 Ų131.2 Ų31.21%0.00518%0.176CC..Hα-helixtrans-69.1-41.7173.5-63.2-177.4000111.2C134 V135 M136 A141 G142 V143 I150 I216 C236 A238C134-L138 WeakPolarHBondContact O-CG 3.37Å; C134-L138 PolarHBondContact O-N 2.85Å; C134-L138 VanDerWaalsContact O-N 3.1Å; V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 2.81Å; V135-L138 VanDerWaalsContact O-N 3.07Å; M136-L138 VanDerWaalsContact C-N 3.35Å; M136-L138 PolarHBondContact O-N 3.1Å; L138-A141 CarbonylContact O-C 3.41Å; L138-A141 WeakPolarHBondContact O-CA 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 3.19Å; L138-A141 VanDerWaalsContact O-N 3.1Å; L138-G142 PolarHBondContact O-N 2.96Å; L138-V143 HydrophobicContact CB-CB 4.21Å; L138-V143 WeakPolarHBondContact O-CB 3.38Å; L138-V143 PolarHBondContact O-N 3.41Å; L138-I150 HydrophobicContact CD1-CG2 4.18Å; L138-I216 HydrophobicContact CD1-CD1 4.26Å; L138-I216 HydrophobicContact CD1-CG1 3.88Å; L138-C236 HydrophobicContact CD2-CB 3.87Å; L138-C236 VanDerWaalsContact CD2-O 3.27Å; L138-C236 WeakPolarHBondContact CD2-O 3.46Å; L138-A238 HydrophobicContact CD2-CB 4.39Å
139E98.7Very high98.7Very high60 Ų6033 Ų3328%0.2818%0.184SC..Hα-helixtrans-61.3-44.6174.9-67.7170.616600111.5V135 M136 A141 G142 R281V135-E139 WeakPolarHBondContact O-CG 3.35Å; V135-E139 PolarHBondContact O-N 2.88Å; M136-E139 PolarHBondContact O-N 3.27Å; E139-A141 PolarHBondContact O-N 3.42Å; E139-G142 WeakPolarHBondContact O-CA 3.18Å; E139-G142 PolarHBondContact O-N 3.33Å; E139-R281 IonicContact OE1-CZ 2.76Å; E139-R281 IonicContact OE1-NH1 3.33Å; E139-R281 PolarHBondContact OE1-NH1 3.33Å; E139-R281 IonicContact OE1-NH2 2.71Å; E139-R281 PolarHBondContact OE1-NH2 2.91Å; E139-R281 IonicContact OE2-CZ 2.73Å; E139-R281 IonicContact OE2-NH1 3.23Å; E139-R281 PolarHBondContact OE2-NH1 2.9Å; E139-R281 IonicContact OE2-NH2 3.45Å
140D98.6Very high98.7Very high98 Ų9833 Ų3352%0.52418%0.184SC..Hα-helixtrans-64.4-20.5175.1-68-24000112.6M136 G142 R261 R274M136-D140 WeakPolarHBondContact O-CB 3.42Å; M136-D140 PolarHBondContact O-N 2.95Å; D140-G142 VanDerWaalsContact C-N 3.32Å; D140-R261 PolarHBondContact O-NH1 3.38Å; D140-R274 IonicContact OD2-CZ 2.61Å; D140-R274 IonicContact OD2-NH1 3.1Å; D140-R274 PolarHBondContact OD2-NH1 2.79Å; D140-R274 IonicContact OD2-NH2 3.26Å; D140-R274 PolarHBondContact OD2-NH2 2.89Å
141A98.7Very high98.7Very high24 Ų2432.7 Ų32.720%0.19818%0.182CC..THydrogen-bonded Turntrans-85.9-2.9170.900000113.5A137 L138 E139 V143 C236 R261A137-A141 PolarHBondContact O-N 2.83Å; L138-A141 CarbonylContact O-C 3.41Å; L138-A141 WeakPolarHBondContact O-CA 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 3.19Å; L138-A141 VanDerWaalsContact O-N 3.1Å; E139-A141 PolarHBondContact O-N 3.42Å; A141-V143 HydrophobicContact CB-CG2 4.29Å; A141-C236 HydrophobicContact CB-CB 3.47Å; A141-C236 VanDerWaalsContact CB-CB 3.47Å; A141-R261 VanDerWaalsContact CA-NH1 3.34Å
142G98.6Very high98.7Very high46 Ų4632.7 Ų32.747%0.47418%0.182SC..THydrogen-bonded Turntrans8015.9-179.200000114.2L138 E139 D140 R144L138-G142 PolarHBondContact O-N 2.96Å; E139-G142 WeakPolarHBondContact O-CA 3.18Å; E139-G142 PolarHBondContact O-N 3.33Å; D140-G142 VanDerWaalsContact C-N 3.32Å; G142-R144 PolarHBondContact O-N 2.9Å
143V98.7Very high98.7Very high8 Ų832.7 Ų32.75%0.04818%0.182CC..  trans-77.2115.6178.2-179.30000109.6L138 A141 I150 Y172 A213 C236L138-V143 HydrophobicContact CB-CB 4.21Å; L138-V143 WeakPolarHBondContact O-CB 3.38Å; L138-V143 PolarHBondContact O-N 3.41Å; A141-V143 HydrophobicContact CB-CG2 4.29Å; V143-I150 HydrophobicContact CG1-CD1 3.63Å; V143-Y172 HydrophobicContact CG1-CE1 4.25Å; V143-Y172 PolarHBondContact O-OH 3.22Å; V143-A213 HydrophobicContact CG1-CB 4.36Å; V143-C236 HydrophobicContact CG2-CB 4.05Å
144R98.7Very high98.6Very high128 Ų12833.3 Ų33.348%0.48319%0.191SC..  trans-115.3160.2-177.9-54.3164.1-60.5171.38.2111.1G142 Q146 D147G142-R144 PolarHBondContact O-N 2.9Å; R144-Q146 VanDerWaalsContact CB-OE1 3.26Å; R144-Q146 PolarHBondContact O-N 3.47Å; R144-Q146 VanDerWaalsContact O-N 3.09Å; R144-D147 WeakPolarHBondContact CA-OD2 3.49Å; R144-D147 VanDerWaalsContact CB-OD2 3.31Å; R144-D147 WeakPolarHBondContact CB-OD2 3.26Å; R144-D147 IonicContact CZ-OD1 2.71Å; R144-D147 IonicContact CZ-OD2 3.25Å; R144-D147 PolarHBondContact N-OD2 3.07Å; R144-D147 IonicContact NE-OD1 2.72Å; R144-D147 IonicContact NE-OD2 3.57Å; R144-D147 PolarHBondContact NE-OD2 3.32Å; R144-D147 VanDerWaalsContact NE-OD2 3.16Å; R144-D147 IonicContact NH2-OD1 3.55Å; R144-D147 PolarHBondContact NH2-OD1 2.76Å; R144-D147 IonicContact NH2-OD2 2.93Å; R144-D147 WeakPolarHBondContact O-CB 3.43Å; R144-D147 PolarHBondContact O-N 2.95Å
145P98.4Very high98.6Very high46 Ų4633.3 Ų33.330%0.29919%0.191SC..G310 helixtrans-52.3-34.6-178.4-31.337.9000115.3D147 L170 Y172P145-D147 VanDerWaalsContact C-N 3.31Å; P145-D147 PolarHBondContact O-N 3.23Å; P145-L170 WeakPolarHBondContact CG-O 3.3Å; P145-Y172 HydrophobicContact CB-CD1 4.3Å; P145-Y172 HydrophobicContact CB-CG 4.4Å; P145-Y172 HydrophobicContact CG-CD1 4.18Å; P145-Y172 HydrophobicContact CG-CD2 4.02Å; P145-Y172 HydrophobicContact CG-CE1 4.06Å; P145-Y172 HydrophobicContact CG-CE2 3.89Å; P145-Y172 HydrophobicContact CG-CG 4.17Å
146Q97.9Very high98.6Very high130 Ų13033.5 Ų33.561%0.60719%0.193SC*.G310 helixtrans-77.1-11.1-179.967.5-89.929.200114.7R144 G148R144-Q146 VanDerWaalsContact CB-OE1 3.26Å; R144-Q146 PolarHBondContact O-N 3.47Å; R144-Q146 VanDerWaalsContact O-N 3.09Å; Q146-G148 VanDerWaalsContact C-N 3.32Å
147D98.3Very high98.5Very high61 Ų6134.7 Ų34.733%0.32621%0.205SC..G310 helixtrans-80.8-14.3-173.7-60.7-36.1000112.4R144 P145 A213R144-D147 WeakPolarHBondContact CA-OD2 3.49Å; R144-D147 VanDerWaalsContact CB-OD2 3.31Å; R144-D147 WeakPolarHBondContact CB-OD2 3.26Å; R144-D147 IonicContact CZ-OD1 2.71Å; R144-D147 IonicContact CZ-OD2 3.25Å; R144-D147 PolarHBondContact N-OD2 3.07Å; R144-D147 IonicContact NE-OD1 2.72Å; R144-D147 IonicContact NE-OD2 3.57Å; R144-D147 PolarHBondContact NE-OD2 3.32Å; R144-D147 VanDerWaalsContact NE-OD2 3.16Å; R144-D147 IonicContact NH2-OD1 3.55Å; R144-D147 PolarHBondContact NH2-OD1 2.76Å; R144-D147 IonicContact NH2-OD2 2.93Å; R144-D147 WeakPolarHBondContact O-CB 3.43Å; R144-D147 PolarHBondContact O-N 2.95Å; P145-D147 VanDerWaalsContact C-N 3.31Å; P145-D147 PolarHBondContact O-N 3.23Å; D147-A213 HydrophobicContact CB-CB 4.19Å
148G98Very high98.5Very high27 Ų2735 Ų3528%0.27821%0.21SC..  trans141.7-166.917200000114.3Q146Q146-G148 VanDerWaalsContact C-N 3.32Å
149E98.7Very high98.5Very high36 Ų3636.3 Ų36.317%0.16822%0.217CC..EExtended strand (participates in β ladder)trans-71141.9179.2-65.4179.7146.700111.7Q173 V175 R194 W212 A213E149-Q173 WeakPolarHBondContact CA-O 3.38Å; E149-Q173 HydrophobicContact CG-CB 4.34Å; E149-V175 HydrophobicContact CB-CG2 4.21Å; E149-V175 HydrophobicContact CG-CG2 4.38Å; E149-R194 IonicContact OE1-CZ 3.54Å; E149-R194 VanDerWaalsContact OE1-CZ 3.26Å; E149-R194 IonicContact OE1-NH1 2.67Å; E149-R194 PolarHBondContact OE1-NH1 3.44Å; E149-R194 IonicContact OE1-NH2 3.45Å; E149-R194 PolarHBondContact OE1-NH2 3.24Å; E149-R194 IonicContact OE2-CZ 3.3Å; E149-R194 IonicContact OE2-NH1 3.39Å; E149-R194 IonicContact OE2-NH2 4Å; E149-R194 PolarHBondContact OE2-NH2 2.8Å; E149-W212 HydrophobicContact CB-CE3 4.1Å; E149-W212 HydrophobicContact CB-CZ3 4.17Å; E149-A213 PolarHBondContact O-N 3Å
150I98.9Very high98.5Very high0 Ų033.5 Ų33.50%020%0.204CC..EExtended strand (participates in β ladder)trans-106.3129172.9-52.1-59.3000109.2L138 V143 L167 Y172 Q173 V174 V175 A213 G214L138-I150 HydrophobicContact CD1-CG2 4.18Å; V143-I150 HydrophobicContact CG1-CD1 3.63Å; I150-L167 HydrophobicContact CB-CD1 4.31Å; I150-L167 HydrophobicContact CG2-CD1 3.58Å; I150-L167 HydrophobicContact CG2-CD2 4.29Å; I150-Y172 HydrophobicContact CD1-CD1 3.85Å; I150-Y172 HydrophobicContact CD1-CE1 4.21Å; I150-Y172 HydrophobicContact CG1-CD1 3.4Å; I150-Y172 VanDerWaalsContact CG1-CD1 3.4Å; I150-Y172 HydrophobicContact CG1-CE1 4.19Å; I150-Y172 HydrophobicContact CG1-CG 3.97Å; I150-Q173 PolarHBondContact N-O 2.77Å; I150-V174 WeakPolarHBondContact O-CA 3.33Å; I150-V175 PolarHBondContact O-N 3.1Å; I150-A213 HydrophobicContact CD1-CB 4.16Å; I150-G214 WeakPolarHBondContact CA-O 3.3Å
151V98.9Very high98.5Very high0 Ų028.8 Ų28.80%018%0.179CC..EExtended strand (participates in β ladder)trans-97134.7175.965.40000111.4V175 V177 W212 G214 A215 I216 V227V151-V175 CarbonylContact C-O 3.56Å; V151-V175 WeakPolarHBondContact CA-O 3.48Å; V151-V177 HydrophobicContact CG2-CG2 3.58Å; V151-W212 HydrophobicContact CB-CD2 3.82Å; V151-W212 HydrophobicContact CB-CE3 3.99Å; V151-W212 HydrophobicContact CB-CG 4.19Å; V151-W212 HydrophobicContact CB-CZ3 4.42Å; V151-W212 HydrophobicContact CG1-CB 4.19Å; V151-W212 HydrophobicContact CG1-CD2 3.86Å; V151-W212 HydrophobicContact CG1-CE3 4.47Å; V151-W212 HydrophobicContact CG1-CG 3.68Å; V151-W212 HydrophobicContact CG2-CZ2 4.5Å; V151-G214 PolarHBondContact N-O 3.22Å; V151-G214 VanDerWaalsContact N-O 3.07Å; V151-A215 HydrophobicContact CG1-CB 3.42Å; V151-A215 VanDerWaalsContact CG1-CB 3.42Å; V151-A215 CarbonylContact O-C 3.41Å; V151-A215 WeakPolarHBondContact O-CA 3.32Å; V151-I216 PolarHBondContact O-N 3.44Å; V151-V227 HydrophobicContact CG1-CG1 4.05Å; V151-V227 HydrophobicContact CG1-CG2 4.46Å
152V98.9Very high98.5Very high0 Ų027.7 Ų27.70%017%0.17CC..EExtended strand (participates in β ladder)trans-116.8117.2172.8-1790000108.7A155 A163 V164 L167 V174 V175 V177 I216V152-A155 HydrophobicContact CG1-CB 4.23Å; V152-A163 HydrophobicContact CG1-CB 4.01Å; V152-A163 HydrophobicContact CG2-CB 4.3Å; V152-V164 HydrophobicContact CB-CG2 4.12Å; V152-V164 HydrophobicContact CG1-CG2 4.17Å; V152-V164 HydrophobicContact CG2-CG2 4.21Å; V152-L167 HydrophobicContact CG2-CD1 3.67Å; V152-V174 HydrophobicContact CG2-CG1 3.8Å; V152-V175 PolarHBondContact N-O 3.16Å; V152-V177 PolarHBondContact O-N 3.01Å; V152-I216 WeakPolarHBondContact CA-O 3.44Å; V152-I216 HydrophobicContact CG2-CB 4.5Å
153T98.8Very high98.5Very high0 Ų025.5 Ų25.50%015%0.147CC..THydrogen-bonded Turntrans-89.6157.5177.379.10000111.4A155 I216 D217 T218 V219 V223 V227T153-A155 PolarHBondContact O-N 3.47Å; T153-A155 VanDerWaalsContact O-N 3.14Å; T153-I216 PolarHBondContact N-O 2.98Å; T153-D217 WeakPolarHBondContact CB-OD1 3.48Å; T153-D217 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D217 VanDerWaalsContact OG1-CA 3.31Å; T153-D217 WeakPolarHBondContact OG1-CA 3.27Å; T153-D217 PolarHBondContact OG1-OD1 2.9Å; T153-T218 PolarHBondContact O-OG1 2.84Å; T153-T218 PolarHBondContact OG1-N 3.1Å; T153-V219 WeakPolarHBondContact OG1-CG2 3.41Å; T153-V223 HydrophobicContact CG2-CG1 3.82Å; T153-V227 HydrophobicContact CG2-CG2 3.97Å
154G98.2Very high98.5Very high23 Ų2325.1 Ų25.124%0.23715%0.145CC..THydrogen-bonded Turntrans56.932.5-17600000112.3S156 G157 V177G154-S156 PolarHBondContact O-N 3.27Å; G154-G157 PolarHBondContact O-N 3.32Å; G154-V177 PolarHBondContact N-O 3.24Å
155A98.6Very high98.5Very high0 Ų019.1 Ų19.10%012%0.123CC..THydrogen-bonded Turntrans-61.7-28.3-158.200000113.7V152 T153 G157 G160 S161 V164 A176 V177 L187V152-A155 HydrophobicContact CG1-CB 4.23Å; T153-A155 PolarHBondContact O-N 3.47Å; T153-A155 VanDerWaalsContact O-N 3.14Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.41Å; A155-G160 CarbonylContact O-C 3.56Å; A155-S161 PolarHBondContact O-N 2.86Å; A155-V164 HydrophobicContact CB-CG2 4.37Å; A155-A176 HydrophobicContact CB-CB 3.58Å; A155-V177 PolarHBondContact N-O 3.23Å; A155-L187 HydrophobicContact CB-CD1 4.24Å; A155-L187 HydrophobicContact CB-CD2 3.61Å; A155-L187 WeakPolarHBondContact O-CD2 3.14Å
156S98.1Very high98.5Very high6 Ų616.9 Ų16.94%0.04211%0.109CC..THydrogen-bonded Turntrans-76.3-12.1179.868.30000114.1G154 S161 R180 Q316 G317G154-S156 PolarHBondContact O-N 3.27Å; S156-S161 PolarHBondContact O-OG 3.02Å; S156-R180 PolarHBondContact OG-NH2 2.9Å; S156-Q316 CarbonylContact O-C 3.22Å; S156-Q316 VanDerWaalsContact O-CA 3.28Å; S156-Q316 WeakPolarHBondContact O-CA 3.23Å; S156-G317 PolarHBondContact O-N 2.96Å
157G97.8Very high98.6Very high26 Ų2610.8 Ų10.827%0.2688%0.08SC..SBendtrans-79.4-177.9179.300000112.8G154 A155 G160 S161G154-G157 PolarHBondContact O-N 3.32Å; A155-G157 VanDerWaalsContact C-N 3.27Å; A155-G157 PolarHBondContact O-N 3.41Å; G157-G160 PolarHBondContact O-N 2.88Å; G157-S161 VanDerWaalsContact O-CB 3.23Å; G157-S161 WeakPolarHBondContact O-CB 3.44Å; G157-S161 PolarHBondContact O-N 3.04Å; G157-S161 PolarHBondContact O-OG 3.07Å
158G97.9Very high98.6Very high16 Ų1612.7 Ų12.717%0.1659%0.087CC..Hα-helixtrans-61.8-48.8-174.700000114.7T162 G317 R318G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 3.39Å; G158-G317 VanDerWaalsContact CA-O 3.22Å; G158-G317 WeakPolarHBondContact CA-O 3.26Å; G158-G317 PolarHBondContact N-O 3.29Å; G158-R318 VanDerWaalsContact CA-CD 3.43Å
159V98.7Very high98.6Very high27 Ų2717.3 Ų17.316%0.16410%0.099CC..Hα-helixtrans-67-49.7178.5179.70000109.5A127 A131 S161 T162 A163 T218A127-V159 HydrophobicContact CB-CG2 3.76Å; A131-V159 HydrophobicContact CB-CG1 4.01Å; V159-S161 PolarHBondContact O-N 2.93Å; V159-T162 PolarHBondContact O-N 3.45Å; V159-A163 WeakPolarHBondContact O-CB 3.42Å; V159-A163 PolarHBondContact O-N 2.95Å; V159-T218 HydrophobicContact CB-CG2 3.84Å; V159-T218 HydrophobicContact CG1-CG2 3.73Å
160G98.7Very high98.6Very high1 Ų117.7 Ų17.71%0.0110%0.102CC..Hα-helixtrans-57.9-43.5-178.900000113.4A155 G157 T162 A163 V164A155-G160 CarbonylContact O-C 3.56Å; G157-G160 PolarHBondContact O-N 2.88Å; G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.88Å; G160-A163 PolarHBondContact O-N 2.79Å; G160-V164 VanDerWaalsContact O-CG2 3.32Å; G160-V164 WeakPolarHBondContact O-CG2 3.22Å; G160-V164 PolarHBondContact O-N 2.91Å
161S98.8Very high98.6Very high0 Ų020.2 Ų20.20%013%0.128CC..Hα-helixtrans-62-44.8179.8-61.10000111.2A155 S156 G157 V159 A165 Y186A155-S161 PolarHBondContact O-N 2.86Å; S156-S161 PolarHBondContact O-OG 3.02Å; G157-S161 VanDerWaalsContact O-CB 3.23Å; G157-S161 WeakPolarHBondContact O-CB 3.44Å; G157-S161 PolarHBondContact O-N 3.04Å; G157-S161 PolarHBondContact O-OG 3.07Å; V159-S161 PolarHBondContact O-N 2.93Å; S161-A165 PolarHBondContact O-N 3.05Å; S161-Y186 WeakPolarHBondContact CB-OH 3.46Å; S161-Y186 WeakPolarHBondContact OG-CE1 3.34Å; S161-Y186 PolarHBondContact OG-OH 2.86Å
162T98.8Very high98.6Very high0 Ų020.9 Ų20.90%013%0.131CC..Hα-helixtrans-67.1-42.6178.6-440000110.8G128 A131 G158 V159 G160 V164 A165 L166 L282 L286 F290G128-T162 VanDerWaalsContact CA-CG2 3.48Å; G128-T162 WeakPolarHBondContact CA-OG1 3.41Å; A131-T162 HydrophobicContact CB-CG2 4Å; G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 3.39Å; V159-T162 PolarHBondContact O-N 3.45Å; G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.88Å; T162-V164 PolarHBondContact O-N 3.24Å; T162-A165 PolarHBondContact O-N 3.19Å; T162-L166 HydrophobicContact CG2-CD1 3.85Å; T162-L166 HydrophobicContact CG2-CG 4.26Å; T162-L166 WeakPolarHBondContact O-CB 3.46Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.49Å; T162-L166 PolarHBondContact O-N 3.32Å; T162-L282 HydrophobicContact CG2-CD2 4.48Å; T162-L286 HydrophobicContact CG2-CD1 3.65Å; T162-F290 HydrophobicContact CG2-CZ 4.16Å; T162-F290 WeakPolarHBondContact OG1-CZ 3.38Å
163A98.9Very high98.6Very high0 Ų026.5 Ų26.50%016%0.157CC..Hα-helixtrans-60.1-44.4177.400000112.3A131 V152 V159 G160 L166 L167 I216A131-A163 HydrophobicContact CB-CB 4.08Å; V152-A163 HydrophobicContact CG1-CB 4.01Å; V152-A163 HydrophobicContact CG2-CB 4.3Å; V159-A163 WeakPolarHBondContact O-CB 3.42Å; V159-A163 PolarHBondContact O-N 2.95Å; G160-A163 PolarHBondContact O-N 2.79Å; A163-L166 PolarHBondContact O-N 2.84Å; A163-L167 VanDerWaalsContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CD1 3.46Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.07Å; A163-I216 HydrophobicContact CB-CD1 3.89Å; A163-I216 HydrophobicContact CB-CG2 4.23Å
164V98.9Very high98.6Very high0 Ų026.5 Ų26.50%016%0.157CC..Hα-helixtrans-59.5-48.3176.2171.60000110.7V152 A155 G160 T162 H168 V174 A176 L190 A192V152-V164 HydrophobicContact CB-CG2 4.12Å; V152-V164 HydrophobicContact CG1-CG2 4.17Å; V152-V164 HydrophobicContact CG2-CG2 4.21Å; A155-V164 HydrophobicContact CB-CG2 4.37Å; G160-V164 VanDerWaalsContact O-CG2 3.32Å; G160-V164 WeakPolarHBondContact O-CG2 3.22Å; G160-V164 PolarHBondContact O-N 2.91Å; T162-V164 PolarHBondContact O-N 3.24Å; V164-H168 VanDerWaalsContact O-CB 3.23Å; V164-H168 WeakPolarHBondContact O-CB 3.28Å; V164-H168 PolarHBondContact O-N 2.66Å; V164-V174 HydrophobicContact CB-CG1 4.4Å; V164-V174 HydrophobicContact CG1-CG1 4.29Å; V164-V174 HydrophobicContact CG2-CG1 4Å; V164-A176 HydrophobicContact CG2-CB 4.42Å; V164-L190 HydrophobicContact CB-CB 4.41Å; V164-L190 HydrophobicContact CG1-CB 3.76Å; V164-A192 HydrophobicContact CG1-CB 4.04Å
165A98.8Very high98.6Very high2 Ų225.4 Ų25.42%0.01715%0.146CC..Hα-helixtrans-64.1-44.3-179.100000112.7S161 T162 K169 F290S161-A165 PolarHBondContact O-N 3.05Å; T162-A165 PolarHBondContact O-N 3.19Å; A165-K169 WeakPolarHBondContact O-CB 3.41Å; A165-K169 PolarHBondContact O-N 3.38Å; A165-F290 HydrophobicContact CB-CD2 3.66Å; A165-F290 HydrophobicContact CB-CE2 4.15Å; A165-F290 HydrophobicContact CB-CG 4.49Å
166L98.8Very high98.6Very high0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-63-51.1177.8-72.7169.3000111.5A131 M132 V135 T162 A163 H168 K169 L170 L282 D285 L286A131-L166 HydrophobicContact CB-CD1 4.32Å; M132-L166 HydrophobicContact CB-CD1 4.22Å; M132-L166 HydrophobicContact SD-CD1 3.96Å; M132-L166 HydrophobicContact SD-CD2 4.04Å; V135-L166 HydrophobicContact CG2-CB 4.15Å; V135-L166 HydrophobicContact CG2-CD1 4.35Å; T162-L166 HydrophobicContact CG2-CD1 3.85Å; T162-L166 HydrophobicContact CG2-CG 4.26Å; T162-L166 WeakPolarHBondContact O-CB 3.46Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.49Å; T162-L166 PolarHBondContact O-N 3.32Å; A163-L166 PolarHBondContact O-N 2.84Å; L166-H168 VanDerWaalsContact C-N 3.33Å; L166-H168 PolarHBondContact O-N 2.84Å; L166-K169 PolarHBondContact O-N 2.85Å; L166-L170 WeakPolarHBondContact O-CB 3.22Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 2.67Å; L166-L282 HydrophobicContact CD1-CD2 4.31Å; L166-D285 HydrophobicContact CD2-CB 3.9Å; L166-L286 HydrophobicContact CD2-CB 4.13Å; L166-L286 HydrophobicContact CD2-CG 4.32Å
167L98.9Very high98.6Very high1 Ų125.3 Ų25.31%0.00515%0.145CC..Hα-helixtrans-62.8-40.6-180-72.1168.3000111.6V135 I150 V152 A163 L170 G171 Y172 V174 I216V135-L167 HydrophobicContact CG2-CD2 4.08Å; V135-L167 HydrophobicContact CG2-CG 4.13Å; I150-L167 HydrophobicContact CB-CD1 4.31Å; I150-L167 HydrophobicContact CG2-CD1 3.58Å; I150-L167 HydrophobicContact CG2-CD2 4.29Å; V152-L167 HydrophobicContact CG2-CD1 3.67Å; A163-L167 VanDerWaalsContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CD1 3.46Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.07Å; L167-L170 PolarHBondContact O-N 2.88Å; L167-G171 PolarHBondContact O-N 2.95Å; L167-Y172 HydrophobicContact CB-CD2 4.41Å; L167-Y172 HydrophobicContact CD2-CD2 3.78Å; L167-Y172 HydrophobicContact CD2-CE2 4.12Å; L167-Y172 HydrophobicContact CD2-CG 4.01Å; L167-Y172 WeakPolarHBondContact O-CB 3.49Å; L167-Y172 WeakPolarHBondContact O-CD2 3.4Å; L167-Y172 PolarHBondContact O-N 2.69Å; L167-V174 HydrophobicContact CB-CG2 3.44Å; L167-V174 VanDerWaalsContact CB-CG2 3.44Å; L167-V174 HydrophobicContact CD1-CG2 4.38Å; L167-I216 HydrophobicContact CD1-CD1 3.94Å; L167-I216 HydrophobicContact CG-CD1 4.44Å
168H98.6Very high98.7Very high102 Ų10224.2 Ų24.247%0.47213%0.133SC..Hα-helixtrans-61.2-47.1174.317872.1000111.6V164 L166 L170 G171 G191V164-H168 VanDerWaalsContact O-CB 3.23Å; V164-H168 WeakPolarHBondContact O-CB 3.28Å; V164-H168 PolarHBondContact O-N 2.66Å; L166-H168 VanDerWaalsContact C-N 3.33Å; L166-H168 PolarHBondContact O-N 2.84Å; H168-L170 VanDerWaalsContact C-N 3.26Å; H168-L170 PolarHBondContact O-N 3.5Å; H168-G171 PolarHBondContact O-N 2.8Å; H168-G191 VanDerWaalsContact CG-CA 3.46Å; H168-G191 PolarHBondContact ND1-O 3.46Å
169K98.5Very high98.6Very high123 Ų12325.4 Ų25.454%0.53515%0.145SC..Hα-helixtrans-60.1-36.3177.617861174.6-177.80112.5A165 L166 G171 D285A165-K169 WeakPolarHBondContact O-CB 3.41Å; A165-K169 PolarHBondContact O-N 3.38Å; L166-K169 PolarHBondContact O-N 2.85Å; K169-G171 PolarHBondContact O-N 3.22Å; K169-D285 WeakPolarHBondContact CB-O 3.43Å; K169-D285 WeakPolarHBondContact CG-O 3.46Å
170L98.5Very high98.4Very high45 Ų4526.1 Ų26.124%0.23615%0.145CC..THydrogen-bonded Turntrans-791.4177.2-67.4167.6000113.6V135 P145 L166 L167 H168 Y172V135-L170 HydrophobicContact CG1-CD1 3.55Å; P145-L170 WeakPolarHBondContact CG-O 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.22Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 2.67Å; L167-L170 PolarHBondContact O-N 2.88Å; H168-L170 VanDerWaalsContact C-N 3.26Å; H168-L170 PolarHBondContact O-N 3.5Å; L170-Y172 HydrophobicContact CB-CD2 3.75Å; L170-Y172 HydrophobicContact CB-CE2 3.75Å; L170-Y172 HydrophobicContact CD1-CE2 4.45Å
171G98.4Very high98.2Very high52 Ų5233.7 Ų33.754%0.53618%0.18SC..THydrogen-bonded Turntrans88.67.9173.100000115.4L167 H168 K169L167-G171 PolarHBondContact O-N 2.95Å; H168-G171 PolarHBondContact O-N 2.8Å; K169-G171 PolarHBondContact O-N 3.22Å
172Y98.7Very high98.1Very high15 Ų1538.4 Ų38.46%0.05921%0.213CC..  trans-73.1149.3176.1-66-94.4000111.5V143 P145 I150 L167 L170 V174V143-Y172 HydrophobicContact CG1-CE1 4.25Å; V143-Y172 PolarHBondContact O-OH 3.22Å; P145-Y172 HydrophobicContact CB-CD1 4.3Å; P145-Y172 HydrophobicContact CB-CG 4.4Å; P145-Y172 HydrophobicContact CG-CD1 4.18Å; P145-Y172 HydrophobicContact CG-CD2 4.02Å; P145-Y172 HydrophobicContact CG-CE1 4.06Å; P145-Y172 HydrophobicContact CG-CE2 3.89Å; P145-Y172 HydrophobicContact CG-CG 4.17Å; I150-Y172 HydrophobicContact CD1-CD1 3.85Å; I150-Y172 HydrophobicContact CD1-CE1 4.21Å; I150-Y172 HydrophobicContact CG1-CD1 3.4Å; I150-Y172 VanDerWaalsContact CG1-CD1 3.4Å; I150-Y172 HydrophobicContact CG1-CE1 4.19Å; I150-Y172 HydrophobicContact CG1-CG 3.97Å; L167-Y172 HydrophobicContact CB-CD2 4.41Å; L167-Y172 HydrophobicContact CD2-CD2 3.78Å; L167-Y172 HydrophobicContact CD2-CE2 4.12Å; L167-Y172 HydrophobicContact CD2-CG 4.01Å; L167-Y172 WeakPolarHBondContact O-CB 3.49Å; L167-Y172 WeakPolarHBondContact O-CD2 3.4Å; L167-Y172 PolarHBondContact O-N 2.69Å; L170-Y172 HydrophobicContact CB-CD2 3.75Å; L170-Y172 HydrophobicContact CB-CE2 3.75Å; L170-Y172 HydrophobicContact CD1-CE2 4.45Å; Y172-V174 PolarHBondContact O-N 2.73Å
173Q98.6Very high98.1Very high117 Ų11738.4 Ų38.455%0.54721%0.213SC..  trans-82.7110.7165.7-68.3-164.51.500109.9E149 I150E149-Q173 WeakPolarHBondContact CA-O 3.38Å; E149-Q173 HydrophobicContact CG-CB 4.34Å; I150-Q173 PolarHBondContact N-O 2.77Å
174V98.9Very high98Very high1 Ų140.6 Ų40.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-101.6121.3-172-171.90000111.7I150 V152 V164 L167 Y172 A192 S193I150-V174 WeakPolarHBondContact O-CA 3.33Å; V152-V174 HydrophobicContact CG2-CG1 3.8Å; V164-V174 HydrophobicContact CB-CG1 4.4Å; V164-V174 HydrophobicContact CG1-CG1 4.29Å; V164-V174 HydrophobicContact CG2-CG1 4Å; L167-V174 HydrophobicContact CB-CG2 3.44Å; L167-V174 VanDerWaalsContact CB-CG2 3.44Å; L167-V174 HydrophobicContact CD1-CG2 4.38Å; Y172-V174 PolarHBondContact O-N 2.73Å; V174-A192 CarbonylContact O-C 3.51Å; V174-A192 WeakPolarHBondContact O-CA 3.43Å; V174-S193 PolarHBondContact O-N 3.2Å; V174-S193 PolarHBondContact O-OG 3.43Å
175V98.9Very high98Very high0 Ų046.5 Ų46.50%025%0.251CS..EExtended strand (participates in β ladder)trans-100.3114.7170.2179.80000109.1E149 I150 V151 V152 R194 L196 W212E149-V175 HydrophobicContact CB-CG2 4.21Å; E149-V175 HydrophobicContact CG-CG2 4.38Å; I150-V175 PolarHBondContact O-N 3.1Å; V151-V175 CarbonylContact C-O 3.56Å; V151-V175 WeakPolarHBondContact CA-O 3.48Å; V152-V175 PolarHBondContact N-O 3.16Å; V175-R194 HydrophobicContact CB-CG 4.42Å; V175-R194 HydrophobicContact CG1-CG 3.97Å; V175-R194 HydrophobicContact CG2-CG 3.92Å; V175-L196 HydrophobicContact CG1-CD1 3.67Å; V175-L196 HydrophobicContact CG1-CG 3.76Å; V175-W212 HydrophobicContact CB-CH2 4.37Å; V175-W212 HydrophobicContact CB-CZ3 4.03Å; V175-W212 HydrophobicContact CG1-CH2 4.05Å; V175-W212 HydrophobicContact CG1-CZ3 4.22Å; V175-W212 HydrophobicContact CG2-CH2 4.48Å; V175-W212 HydrophobicContact CG2-CZ3 3.9Å
176A98.9Very high97.9Very high0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-90.3136.9-179.900000111.1A155 V164 L187 A192 R194 V195 L196A155-A176 HydrophobicContact CB-CB 3.58Å; V164-A176 HydrophobicContact CG2-CB 4.42Å; A176-L187 HydrophobicContact CB-CB 4.3Å; A176-L187 HydrophobicContact CB-CD1 4.03Å; A176-L187 HydrophobicContact CB-CD2 4.18Å; A176-L187 HydrophobicContact CB-CG 4.41Å; A176-A192 HydrophobicContact CB-CB 3.78Å; A176-R194 PolarHBondContact N-O 3.46Å; A176-V195 HydrophobicContact CB-CG1 4.47Å; A176-V195 HydrophobicContact CB-CG2 4.38Å; A176-V195 CarbonylContact O-C 3.6Å; A176-V195 VanDerWaalsContact O-CA 3.23Å; A176-V195 WeakPolarHBondContact O-CA 3.38Å; A176-V195 WeakPolarHBondContact O-CG1 3.49Å; A176-L196 PolarHBondContact O-N 2.97Å
177V98.7Very high97.9Very high3 Ų347.4 Ų47.42%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-108.6122.8172.3-177.50000109.6V151 V152 G154 A155 L196 R198 F201V151-V177 HydrophobicContact CG2-CG2 3.58Å; V152-V177 PolarHBondContact O-N 3.01Å; G154-V177 PolarHBondContact N-O 3.24Å; A155-V177 PolarHBondContact N-O 3.23Å; V177-L196 WeakPolarHBondContact CA-O 3.3Å; V177-L196 HydrophobicContact CG2-CB 4.35Å; V177-R198 HydrophobicContact CG1-CB 4.4Å; V177-F201 HydrophobicContact CB-CE2 4.32Å; V177-F201 HydrophobicContact CG1-CD2 3.81Å; V177-F201 HydrophobicContact CG1-CE2 3.71Å; V177-F201 HydrophobicContact CG1-CZ 4.44Å; V177-F201 HydrophobicContact CG2-CD2 4.43Å; V177-F201 HydrophobicContact CG2-CE1 4.43Å; V177-F201 HydrophobicContact CG2-CE2 3.58Å; V177-F201 HydrophobicContact CG2-CZ 3.58Å
178S98.1Very high97.9Very high4 Ų452.1 Ų52.13%0.02828%0.275CS..EExtended strand (participates in β ladder)trans-135145.1179.2-172.40000111.7R180 T183 L196 P197 R198S178-R180 VanDerWaalsContact C-N 3.32Å; S178-R180 PolarHBondContact OG-N 2.93Å; S178-R180 PolarHBondContact OG-O 2.95Å; S178-T183 PolarHBondContact OG-OG1 3.43Å; S178-L196 PolarHBondContact N-O 2.95Å; S178-L196 VanDerWaalsContact N-O 3.07Å; S178-P197 CarbonylContact O-C 3.59Å; S178-P197 WeakPolarHBondContact O-CA 3.23Å; S178-R198 PolarHBondContact O-N 3.42Å
179G95.6Very high97.9Very high41 Ų4150.1 Ų50.142%0.42327%0.272SS..SBendtrans-89.64.2171.200000113.7
180R95Very high97.9Very high41 Ų4144.6 Ų44.616%0.15525%0.248CC..  trans-130.9110.4-176-66-175.8-61.2167.3-0.9110.5S156 S178 S182 T183 N313 Q314 I315S156-R180 PolarHBondContact OG-NH2 2.9Å; S178-R180 VanDerWaalsContact C-N 3.32Å; S178-R180 PolarHBondContact OG-N 2.93Å; S178-R180 PolarHBondContact OG-O 2.95Å; R180-S182 PolarHBondContact O-N 3.21Å; R180-T183 HydrophobicContact CB-CG2 3.85Å; R180-T183 PolarHBondContact O-N 3.47Å; R180-T183 PolarHBondContact O-OG1 3.25Å; R180-N313 WeakPolarHBondContact CD-O 3.34Å; R180-N313 PolarHBondContact NH1-O 2.92Å; R180-Q314 VanDerWaalsContact NH1-C 3.33Å; R180-Q314 PolarHBondContact NH1-O 3.49Å; R180-I315 PolarHBondContact NH1-O 3.29Å; R180-I315 PolarHBondContact NH2-O 2.92Å
181E95.4Very high97.9Very high161 Ų16143 Ų4375%0.75224%0.243SC*.G310 helixtrans-57.8-33.2177.1-66.9-175.7177.100112.6T183 H184E181-T183 PolarHBondContact O-N 2.91Å; E181-H184 WeakPolarHBondContact O-CB 3.42Å; E181-H184 PolarHBondContact O-CD2 2.98Å; E181-H184 VanDerWaalsContact O-CG 3.27Å; E181-H184 PolarHBondContact O-N 3.37Å
182S97Very high97.9Very high99 Ų9941 Ų4169%0.69222%0.221SC*.G310 helixtrans-58.3-15.5176.157.80000114.4R180R180-S182 PolarHBondContact O-N 3.21Å
183T97.7Very high97.9Very high0 Ų043.6 Ų43.60%024%0.241CC..G310 helixtrans-94.9-3.8179.665.80000113.7S178 R180 E181 E185 Y186 L187 Q316S178-T183 PolarHBondContact OG-OG1 3.43Å; R180-T183 HydrophobicContact CB-CG2 3.85Å; R180-T183 PolarHBondContact O-N 3.47Å; R180-T183 PolarHBondContact O-OG1 3.25Å; E181-T183 PolarHBondContact O-N 2.91Å; T183-E185 PolarHBondContact O-N 3.37Å; T183-Y186 WeakPolarHBondContact O-CB 3.46Å; T183-Y186 PolarHBondContact O-N 3.31Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.2Å; T183-L187 PolarHBondContact O-N 3.46Å; T183-Q316 HydrophobicContact CG2-CB 4.46Å
184H98Very high97.9Very high46 Ų4642.7 Ų42.721%0.21323%0.233CC..Hα-helixtrans-62.9-45.7-171.5-73.4-165.9000112.9E181 L187 K188 V195E181-H184 WeakPolarHBondContact O-CB 3.42Å; E181-H184 PolarHBondContact O-CD2 2.98Å; E181-H184 VanDerWaalsContact O-CG 3.27Å; E181-H184 PolarHBondContact O-N 3.37Å; H184-L187 PolarHBondContact O-N 3.36Å; H184-K188 WeakPolarHBondContact O-CG 3.37Å; H184-K188 PolarHBondContact O-N 3.46Å; H184-V195 HydrophobicContact CB-CG2 4.42Å; H184-V195 VanDerWaalsContact CD2-CG1 3.45Å; H184-V195 WeakPolarHBondContact CD2-CG1 3.42Å
185E97.7Very high97.8Very high124 Ų12443.7 Ų43.758%0.57924%0.239SC*.Hα-helixtrans-68.3-36.9179-66.9-53.7122.800112T183 L187 K188 S189T183-E185 PolarHBondContact O-N 3.37Å; E185-L187 PolarHBondContact O-N 2.84Å; E185-K188 PolarHBondContact O-N 3.24Å; E185-K188 IonicContact OE1-NZ 2.71Å; E185-K188 PolarHBondContact OE1-NZ 2.89Å; E185-S189 WeakPolarHBondContact O-CB 3.23Å; E185-S189 PolarHBondContact O-N 3.12Å
186Y98.3Very high97.8Very high20 Ų2045 Ų458%0.07825%0.246CC..Hα-helixtrans-57.5-48.5170.9166.8-108.2000111.5S161 T183 K188 S189 L190 Q316 G317S161-Y186 WeakPolarHBondContact CB-OH 3.46Å; S161-Y186 WeakPolarHBondContact OG-CE1 3.34Å; S161-Y186 PolarHBondContact OG-OH 2.86Å; T183-Y186 WeakPolarHBondContact O-CB 3.46Å; T183-Y186 PolarHBondContact O-N 3.31Å; Y186-K188 PolarHBondContact O-N 3.29Å; Y186-S189 WeakPolarHBondContact O-CB 3.41Å; Y186-S189 PolarHBondContact O-N 2.73Å; Y186-S189 VanDerWaalsContact O-N 3.13Å; Y186-S189 PolarHBondContact O-OG 2.96Å; Y186-L190 HydrophobicContact CD1-CD1 4.36Å; Y186-L190 HydrophobicContact CE1-CD1 3.72Å; Y186-L190 HydrophobicContact CE2-CD1 4Å; Y186-L190 HydrophobicContact CE2-CD2 4.39Å; Y186-L190 HydrophobicContact CE2-CG 4.21Å; Y186-L190 PolarHBondContact O-N 3.43Å; Y186-L190 VanDerWaalsContact O-N 3.15Å; Y186-Q316 HydrophobicContact CD1-CB 4.48Å; Y186-Q316 HydrophobicContact CE1-CB 4.37Å; Y186-G317 WeakPolarHBondContact OH-CA 3.45Å
187L98.7Very high97.8Very high0 Ų047.4 Ų47.40%026%0.262CS..Hα-helixtrans-64.1-40.7179.8-70.2167.3000112.7A155 A176 T183 H184 E185 S189 L190 G191 A192 V195A155-L187 HydrophobicContact CB-CD1 4.24Å; A155-L187 HydrophobicContact CB-CD2 3.61Å; A155-L187 WeakPolarHBondContact O-CD2 3.14Å; A176-L187 HydrophobicContact CB-CB 4.3Å; A176-L187 HydrophobicContact CB-CD1 4.03Å; A176-L187 HydrophobicContact CB-CD2 4.18Å; A176-L187 HydrophobicContact CB-CG 4.41Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.2Å; T183-L187 PolarHBondContact O-N 3.46Å; H184-L187 PolarHBondContact O-N 3.36Å; E185-L187 PolarHBondContact O-N 2.84Å; L187-S189 VanDerWaalsContact C-N 3.32Å; L187-L190 PolarHBondContact O-N 3.4Å; L187-G191 PolarHBondContact O-N 3.21Å; L187-A192 HydrophobicContact CB-CB 4.26Å; L187-A192 VanDerWaalsContact O-CB 3.28Å; L187-A192 WeakPolarHBondContact O-CB 3.48Å; L187-A192 PolarHBondContact O-N 2.84Å; L187-V195 HydrophobicContact CB-CG2 4Å; L187-V195 HydrophobicContact CD1-CG1 3.84Å; L187-V195 HydrophobicContact CD1-CG2 4.22Å
188K98.5Very high97.7Very high101 Ų10152.4 Ų52.444%0.43928%0.28SS..Hα-helixtrans-62.5-40.2172.4-70.4175.6-172.9167.10111.5H184 E185 Y186 L190 G191H184-K188 WeakPolarHBondContact O-CG 3.37Å; H184-K188 PolarHBondContact O-N 3.46Å; E185-K188 PolarHBondContact O-N 3.24Å; E185-K188 IonicContact OE1-NZ 2.71Å; E185-K188 PolarHBondContact OE1-NZ 2.89Å; Y186-K188 PolarHBondContact O-N 3.29Å; K188-L190 PolarHBondContact O-N 3.12Å; K188-G191 PolarHBondContact O-N 3.03Å
189S98.1Very high97.6Very high59 Ų5958.5 Ų58.541%0.41331%0.313SS..Hα-helixtrans-64.4-23.9177.982.40000113.9E185 Y186 L187 Q293E185-S189 WeakPolarHBondContact O-CB 3.23Å; E185-S189 PolarHBondContact O-N 3.12Å; Y186-S189 WeakPolarHBondContact O-CB 3.41Å; Y186-S189 PolarHBondContact O-N 2.73Å; Y186-S189 VanDerWaalsContact O-N 3.13Å; Y186-S189 PolarHBondContact O-OG 2.96Å; L187-S189 VanDerWaalsContact C-N 3.32Å; S189-Q293 PolarHBondContact O-NE2 2.88Å
190L98.6Very high97.6Very high7 Ų761.4 Ų61.44%0.03732%0.315CS..THydrogen-bonded Turntrans-83.1-13.9172.6-67177.4000113.4V164 Y186 L187 K188 F290 Q293V164-L190 HydrophobicContact CB-CB 4.41Å; V164-L190 HydrophobicContact CG1-CB 3.76Å; Y186-L190 HydrophobicContact CD1-CD1 4.36Å; Y186-L190 HydrophobicContact CE1-CD1 3.72Å; Y186-L190 HydrophobicContact CE2-CD1 4Å; Y186-L190 HydrophobicContact CE2-CD2 4.39Å; Y186-L190 HydrophobicContact CE2-CG 4.21Å; Y186-L190 PolarHBondContact O-N 3.43Å; Y186-L190 VanDerWaalsContact O-N 3.15Å; L187-L190 PolarHBondContact O-N 3.4Å; K188-L190 PolarHBondContact O-N 3.12Å; L190-F290 HydrophobicContact CD2-CD2 3.85Å; L190-F290 HydrophobicContact CD2-CE2 4.32Å; L190-Q293 HydrophobicContact CD2-CB 4.24Å
191G98.6Very high97.8Very high13 Ų1359.6 Ų59.613%0.13431%0.308CS..THydrogen-bonded Turntrans115.49.3177.400000116.3H168 L187 K188 S193H168-G191 VanDerWaalsContact CG-CA 3.46Å; H168-G191 PolarHBondContact ND1-O 3.46Å; L187-G191 PolarHBondContact O-N 3.21Å; K188-G191 PolarHBondContact O-N 3.03Å; G191-S193 PolarHBondContact O-N 2.69Å
192A98.7Very high97.7Very high8 Ų854.5 Ų54.57%0.06629%0.294CS..  trans-64.6128.4172.700000111V164 V174 A176 L187V164-A192 HydrophobicContact CG1-CB 4.04Å; V174-A192 CarbonylContact O-C 3.51Å; V174-A192 WeakPolarHBondContact O-CA 3.43Å; A176-A192 HydrophobicContact CB-CB 3.78Å; L187-A192 HydrophobicContact CB-CB 4.26Å; L187-A192 VanDerWaalsContact O-CB 3.28Å; L187-A192 WeakPolarHBondContact O-CB 3.48Å; L187-A192 PolarHBondContact O-N 2.84Å
193S98.2Very high97.6Very high70 Ų7057.6 Ų57.649%0.4930%0.297SS..SBendtrans-73.6-34.2179.263.50000112.2V174 G191V174-S193 PolarHBondContact O-N 3.2Å; V174-S193 PolarHBondContact O-OG 3.43Å; G191-S193 PolarHBondContact O-N 2.69Å
194R97.6Very high97.5Very high98 Ų9860.1 Ų60.137%0.3732%0.315SS..EExtended strand (participates in β ladder)trans-152.2164.3168.367.9179.3-173.6-117-5.9111.1E149 V175 A176E149-R194 IonicContact OE1-CZ 3.54Å; E149-R194 VanDerWaalsContact OE1-CZ 3.26Å; E149-R194 IonicContact OE1-NH1 2.67Å; E149-R194 PolarHBondContact OE1-NH1 3.44Å; E149-R194 IonicContact OE1-NH2 3.45Å; E149-R194 PolarHBondContact OE1-NH2 3.24Å; E149-R194 IonicContact OE2-CZ 3.3Å; E149-R194 IonicContact OE2-NH1 3.39Å; E149-R194 IonicContact OE2-NH2 4Å; E149-R194 PolarHBondContact OE2-NH2 2.8Å; V175-R194 HydrophobicContact CB-CG 4.42Å; V175-R194 HydrophobicContact CG1-CG 3.97Å; V175-R194 HydrophobicContact CG2-CG 3.92Å; A176-R194 PolarHBondContact N-O 3.46Å
195V98.6Very high97.5Very high23 Ų2366.5 Ų66.514%0.13934%0.337CS..EExtended strand (participates in β ladder)trans-121.5129.5178.3-169.40000109.3A176 H184 L187A176-V195 HydrophobicContact CB-CG1 4.47Å; A176-V195 HydrophobicContact CB-CG2 4.38Å; A176-V195 CarbonylContact O-C 3.6Å; A176-V195 VanDerWaalsContact O-CA 3.23Å; A176-V195 WeakPolarHBondContact O-CA 3.38Å; A176-V195 WeakPolarHBondContact O-CG1 3.49Å; H184-V195 HydrophobicContact CB-CG2 4.42Å; H184-V195 VanDerWaalsContact CD2-CG1 3.45Å; H184-V195 WeakPolarHBondContact CD2-CG1 3.42Å; L187-V195 HydrophobicContact CB-CG2 4Å; L187-V195 HydrophobicContact CD1-CG1 3.84Å; L187-V195 HydrophobicContact CD1-CG2 4.22Å
196L98.4Very high97.5Very high27 Ų2763.7 Ų63.714%0.14133%0.33CS..EExtended strand (participates in β ladder)trans-105.3141.4174.8-63.1178000110.5V175 A176 V177 S178 F201 W212V175-L196 HydrophobicContact CG1-CD1 3.67Å; V175-L196 HydrophobicContact CG1-CG 3.76Å; A176-L196 PolarHBondContact O-N 2.97Å; V177-L196 WeakPolarHBondContact CA-O 3.3Å; V177-L196 HydrophobicContact CG2-CB 4.35Å; S178-L196 PolarHBondContact N-O 2.95Å; S178-L196 VanDerWaalsContact N-O 3.07Å; L196-F201 HydrophobicContact CB-CE2 4.25Å; L196-F201 HydrophobicContact CD1-CE2 4.31Å; L196-F201 HydrophobicContact CD1-CZ 4.22Å; L196-W212 HydrophobicContact CD1-CH2 3.92Å; L196-W212 HydrophobicContact CD1-CZ2 4.19Å
197P97.7Very high97.5Very high50 Ų5065.3 Ų65.333%0.32534%0.34SS..EExtended strand (participates in β ladder)trans-70.2141.8174.130.3-34.3000110.7S178 D199 E200S178-P197 CarbonylContact O-C 3.59Å; S178-P197 WeakPolarHBondContact O-CA 3.23Å; P197-D199 PolarHBondContact O-N 3.16Å; P197-E200 VanDerWaalsContact CD-OE1 3.26Å; P197-E200 WeakPolarHBondContact CD-OE1 3.35Å; P197-E200 HydrophobicContact CG-CG 3.93Å; P197-E200 VanDerWaalsContact CG-OE1 3.29Å; P197-E200 WeakPolarHBondContact CG-OE1 3.44Å; P197-E200 PolarHBondContact O-N 3.34Å
198R97.2Very high97.5Very high109 Ų10967.7 Ų67.741%0.41135%0.351SS..G310 helixtrans-58-29.3177.7-177.1178.862.4-168.7-2.5113.3V177 S178 E200 F201 V223V177-R198 HydrophobicContact CG1-CB 4.4Å; S178-R198 PolarHBondContact O-N 3.42Å; R198-E200 PolarHBondContact O-N 3.23Å; R198-F201 WeakPolarHBondContact O-CA 3.22Å; R198-F201 WeakPolarHBondContact O-CB 3.27Å; R198-F201 PolarHBondContact O-N 3.43Å; R198-V223 HydrophobicContact CG-CG2 4.25Å
199D96Very high97.5Very high132 Ų13271.1 Ų71.171%0.70637%0.366SS*.G310 helixtrans-66.9-22.4-176.3-66-7.6000112.8P197 F201 A202P197-D199 PolarHBondContact O-N 3.16Å; D199-F201 PolarHBondContact O-N 2.78Å; D199-A202 PolarHBondContact O-N 3.04Å
200E96.3Very high97.5Very high102 Ų10272.5 Ų72.548%0.47737%0.365SS..G310 helixtrans-63.7-9.1168.6-76.8-179.4-141.500112.8P197 R198 K226P197-E200 VanDerWaalsContact CD-OE1 3.26Å; P197-E200 WeakPolarHBondContact CD-OE1 3.35Å; P197-E200 HydrophobicContact CG-CG 3.93Å; P197-E200 VanDerWaalsContact CG-OE1 3.29Å; P197-E200 WeakPolarHBondContact CG-OE1 3.44Å; P197-E200 PolarHBondContact O-N 3.34Å; R198-E200 PolarHBondContact O-N 3.23Å; E200-K226 VanDerWaalsContact O-CD 3.31Å; E200-K226 WeakPolarHBondContact O-CD 3.42Å; E200-K226 VanDerWaalsContact O-CE 3.29Å; E200-K226 WeakPolarHBondContact O-CE 3.41Å; E200-K226 PolarHBondContact O-NZ 3.15Å
201F97.7Very high97.5Very high3 Ų374.1 Ų74.11%0.01338%0.375CS..G310 helixtrans-108.814.3-177.9-63.1-101.3000115.1V177 L196 R198 D199 V223 K226 V227V177-F201 HydrophobicContact CB-CE2 4.32Å; V177-F201 HydrophobicContact CG1-CD2 3.81Å; V177-F201 HydrophobicContact CG1-CE2 3.71Å; V177-F201 HydrophobicContact CG1-CZ 4.44Å; V177-F201 HydrophobicContact CG2-CD2 4.43Å; V177-F201 HydrophobicContact CG2-CE1 4.43Å; V177-F201 HydrophobicContact CG2-CE2 3.58Å; V177-F201 HydrophobicContact CG2-CZ 3.58Å; L196-F201 HydrophobicContact CB-CE2 4.25Å; L196-F201 HydrophobicContact CD1-CE2 4.31Å; L196-F201 HydrophobicContact CD1-CZ 4.22Å; R198-F201 WeakPolarHBondContact O-CA 3.22Å; R198-F201 WeakPolarHBondContact O-CB 3.27Å; R198-F201 PolarHBondContact O-N 3.43Å; D199-F201 PolarHBondContact O-N 2.78Å; F201-V223 HydrophobicContact CB-CB 4.33Å; F201-V223 HydrophobicContact CB-CG1 4.2Å; F201-V223 HydrophobicContact CB-CG2 4Å; F201-V223 HydrophobicContact CD1-CG1 4.36Å; F201-V223 HydrophobicContact CG-CG1 4.38Å; F201-K226 HydrophobicContact CB-CD 4.29Å; F201-K226 HydrophobicContact CD1-CB 4.23Å; F201-K226 HydrophobicContact CD1-CD 4.12Å; F201-K226 HydrophobicContact CD1-CG 4.29Å; F201-K226 HydrophobicContact CG-CD 4.38Å; F201-V227 HydrophobicContact CD1-CG2 4.05Å; F201-V227 HydrophobicContact CE1-CG2 3.83Å
202A94.4Very high97.5Very high54 Ų5473.8 Ų73.845%0.44637%0.37SS..SBendtrans-75.7-35.4-176.100000115D199 K222D199-A202 PolarHBondContact O-N 3.04Å; A202-K222 WeakPolarHBondContact O-CD 3.4Å
203E93.8Very high97.5Very high163 Ų16373.7 Ų73.776%0.76237%0.369SS*.  trans-132147.6-177.9-63.8-172.2171.500111.2K226E203-K226 VanDerWaalsContact O-CD 3.3Å; E203-K226 WeakPolarHBondContact O-CD 3.46Å; E203-K226 WeakPolarHBondContact O-CE 3.46Å; E203-K226 PolarHBondContact O-NZ 3.28Å
204S96.2Very high97.6Very high54 Ų5470.4 Ų70.438%0.37835%0.346SS..  trans-149.3143.1179.361.70000112.3
205R97.8Very high97.6Very high180 Ų18065.7 Ų65.768%0.67933%0.328SS*.  trans-74.1163.9161-63.9179.3179.6-175.30.9110.5L207 E208 A229R205-L207 PolarHBondContact O-N 3.1Å; R205-L207 VanDerWaalsContact O-N 3.16Å; R205-E208 WeakPolarHBondContact CB-OE1 3.25Å; R205-E208 PolarHBondContact N-OE1 3.41Å; R205-A229 WeakPolarHBondContact O-CB 3.45Å
206P98Very high97.7Very high65 Ų6564.6 Ų64.642%0.42232%0.322SS..SBendtrans-55.2-31.8174.8-28.636.6000114.4T251 M253P206-T251 HydrophobicContact CB-CG2 4Å; P206-T251 HydrophobicContact CG-CG2 4.1Å; P206-M253 HydrophobicContact CB-CB 4.22Å; P206-M253 HydrophobicContact CB-CG 3.94Å
207L98.7Very high97.7Very high54 Ų5463.3 Ų63.328%0.28332%0.315SS..SBendtrans-137.9129170.8-69.3178.6000109R205 M253 P254 L257 R258R205-L207 PolarHBondContact O-N 3.1Å; R205-L207 VanDerWaalsContact O-N 3.16Å; L207-M253 HydrophobicContact CD1-CB 4.49Å; L207-M253 HydrophobicContact CD2-CB 4.23Å; L207-M253 HydrophobicContact CG-CB 4.03Å; L207-P254 HydrophobicContact CD2-CB 4.34Å; L207-P254 HydrophobicContact CD2-CG 4.08Å; L207-L257 HydrophobicContact CD1-CB 4.35Å; L207-L257 HydrophobicContact CD1-CD1 3.84Å; L207-R258 HydrophobicContact CD2-CG 4.4Å
208E98.6Very high97.7Very high50 Ų5061.9 Ų61.923%0.23431%0.305CS..  trans-108.1-179.3173.5-66.8-6717700110R205 Q210 A229 Q230 R258R205-E208 WeakPolarHBondContact CB-OE1 3.25Å; R205-E208 PolarHBondContact N-OE1 3.41Å; E208-Q210 PolarHBondContact O-N 3.24Å; E208-A229 HydrophobicContact CB-CB 4.33Å; E208-A229 HydrophobicContact CG-CB 3.96Å; E208-A229 PolarHBondContact N-O 3.28Å; E208-Q230 HydrophobicContact CB-CG 3.66Å; E208-Q230 HydrophobicContact CG-CG 4.23Å; E208-R258 VanDerWaalsContact O-CZ 3.26Å; E208-R258 PolarHBondContact O-NH1 3.46Å; E208-R258 PolarHBondContact O-NH2 2.85Å
209K98.3Very high97.8Very high173 Ų17357.4 Ų57.475%0.75229%0.29SS*.  trans-54137.9169.2-175.7179.9174.5-174.90110.2V211 Q230K209-V211 WeakPolarHBondContact O-CG2 3.37Å; K209-Q230 WeakPolarHBondContact O-CA 3.29Å
210Q98.7Very high97.9Very high88 Ų8851.4 Ų51.441%0.41126%0.259SS..  trans-70.8126.6173-67.4-177.899.100109.7E208 Q230 N232E208-Q210 PolarHBondContact O-N 3.24Å; Q210-Q230 CarbonylContact C-O 3.59Å; Q210-Q230 WeakPolarHBondContact CA-O 3.48Å; Q210-N232 VanDerWaalsContact C-OD1 3.29Å; Q210-N232 WeakPolarHBondContact CB-OD1 3.4Å
211V98.6Very high98Very high40 Ų4048.3 Ų48.324%0.24225%0.246CC..  trans-135-47.9-177.2-166.70000111.8K209 Q230 N232K209-V211 WeakPolarHBondContact O-CG2 3.37Å; V211-Q230 PolarHBondContact N-O 3.01Å; V211-N232 VanDerWaalsContact C-OD1 3.29Å; V211-N232 PolarHBondContact N-OD1 2.76Å
212W98.8Very high98Very high7 Ų753.8 Ų53.83%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-97.7126.7-164.7-44124.8000112.4E149 V151 V175 L196 Q230 M231 N232E149-W212 HydrophobicContact CB-CE3 4.1Å; E149-W212 HydrophobicContact CB-CZ3 4.17Å; V151-W212 HydrophobicContact CB-CD2 3.82Å; V151-W212 HydrophobicContact CB-CE3 3.99Å; V151-W212 HydrophobicContact CB-CG 4.19Å; V151-W212 HydrophobicContact CB-CZ3 4.42Å; V151-W212 HydrophobicContact CG1-CB 4.19Å; V151-W212 HydrophobicContact CG1-CD2 3.86Å; V151-W212 HydrophobicContact CG1-CE3 4.47Å; V151-W212 HydrophobicContact CG1-CG 3.68Å; V151-W212 HydrophobicContact CG2-CZ2 4.5Å; V175-W212 HydrophobicContact CB-CH2 4.37Å; V175-W212 HydrophobicContact CB-CZ3 4.03Å; V175-W212 HydrophobicContact CG1-CH2 4.05Å; V175-W212 HydrophobicContact CG1-CZ3 4.22Å; V175-W212 HydrophobicContact CG2-CH2 4.48Å; V175-W212 HydrophobicContact CG2-CZ3 3.9Å; L196-W212 HydrophobicContact CD1-CH2 3.92Å; L196-W212 HydrophobicContact CD1-CZ2 4.19Å; W212-Q230 PolarHBondContact N-O 2.95Å; W212-M231 HydrophobicContact CB-CE 3.98Å; W212-M231 HydrophobicContact CB-SD 3.71Å; W212-M231 HydrophobicContact CG-SD 4.34Å; W212-M231 WeakPolarHBondContact O-CE 3.39Å; W212-N232 PolarHBondContact N-OD1 3.18Å; W212-N232 WeakPolarHBondContact O-CB 3.28Å; W212-N232 PolarHBondContact O-N 2.97Å
213A98.8Very high98.2Very high6 Ų651.9 Ų51.95%0.0525%0.253CS..EExtended strand (participates in β ladder)trans-73.1-36.9170.200000111.3V143 D147 E149 I150 G235 C236V143-A213 HydrophobicContact CG1-CB 4.36Å; D147-A213 HydrophobicContact CB-CB 4.19Å; E149-A213 PolarHBondContact O-N 3Å; I150-A213 HydrophobicContact CD1-CB 4.16Å; A213-G235 VanDerWaalsContact O-CA 3.26Å; A213-G235 WeakPolarHBondContact O-CA 3.35Å; A213-C236 PolarHBondContact O-N 3.44Å
214G98.9Very high98.4Very high0 Ų044.7 Ų44.70%022%0.22CC..EExtended strand (participates in β ladder)trans-150.1165175.700000111.9I150 V151 C236I150-G214 WeakPolarHBondContact CA-O 3.3Å; V151-G214 PolarHBondContact N-O 3.22Å; V151-G214 VanDerWaalsContact N-O 3.07Å; G214-C236 CarbonylContact C-O 3.55Å; G214-C236 WeakPolarHBondContact CA-O 3.31Å
215A99Very high98.6Very high0 Ų042.2 Ų42.20%020%0.202CC..EExtended strand (participates in β ladder)trans-144.5143.8175.700000112.1V151 V227 M231 C236 V237 A238V151-A215 HydrophobicContact CG1-CB 3.42Å; V151-A215 VanDerWaalsContact CG1-CB 3.42Å; V151-A215 CarbonylContact O-C 3.41Å; V151-A215 WeakPolarHBondContact O-CA 3.32Å; A215-V227 HydrophobicContact CB-CG1 3.58Å; A215-M231 HydrophobicContact CB-CE 4.49Å; A215-M231 HydrophobicContact CB-SD 4.16Å; A215-C236 PolarHBondContact N-O 3.05Å; A215-V237 HydrophobicContact CB-CB 4.31Å; A215-V237 HydrophobicContact CB-CG1 4.02Å; A215-V237 HydrophobicContact CB-CG2 4.01Å; A215-V237 CarbonylContact O-C 3.59Å; A215-V237 WeakPolarHBondContact O-CA 3.47Å; A215-A238 PolarHBondContact O-N 2.99Å
216I98.9Very high98.6Very high0 Ų035.3 Ų35.30%018%0.177CC..EExtended strand (participates in β ladder)trans-112.8113164.9-60.8-177.4000107.3C134 V135 L138 V151 V152 T153 A163 L167 A238C134-I216 HydrophobicContact CB-CB 4.41Å; C134-I216 HydrophobicContact CB-CD1 3.72Å; C134-I216 HydrophobicContact CB-CG1 3.88Å; C134-I216 HydrophobicContact CB-CG2 3.74Å; V135-I216 HydrophobicContact CG2-CD1 3.81Å; L138-I216 HydrophobicContact CD1-CD1 4.26Å; L138-I216 HydrophobicContact CD1-CG1 3.88Å; V151-I216 PolarHBondContact O-N 3.44Å; V152-I216 WeakPolarHBondContact CA-O 3.44Å; V152-I216 HydrophobicContact CG2-CB 4.5Å; T153-I216 PolarHBondContact N-O 2.98Å; A163-I216 HydrophobicContact CB-CD1 3.89Å; A163-I216 HydrophobicContact CB-CG2 4.23Å; L167-I216 HydrophobicContact CD1-CD1 3.94Å; L167-I216 HydrophobicContact CG-CD1 4.44Å; I216-A238 WeakPolarHBondContact CA-O 3.38Å
217D98.9Very high98.6Very high0 Ų032.2 Ų32.20%016%0.157CC..EExtended strand (participates in β ladder)trans-106.7124.2-176.5-177.869.9000112.5T153 V219 G220 L224 V237 A238 C240T153-D217 WeakPolarHBondContact CB-OD1 3.48Å; T153-D217 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D217 VanDerWaalsContact OG1-CA 3.31Å; T153-D217 WeakPolarHBondContact OG1-CA 3.27Å; T153-D217 PolarHBondContact OG1-OD1 2.9Å; D217-V219 PolarHBondContact OD2-N 2.86Å; D217-G220 WeakPolarHBondContact OD2-CA 3.47Å; D217-G220 PolarHBondContact OD2-N 3.29Å; D217-L224 HydrophobicContact CB-CD1 3.92Å; D217-V237 HydrophobicContact CB-CG1 4.19Å; D217-A238 PolarHBondContact N-O 3.08Å; D217-C240 PolarHBondContact O-N 3.13Å; D217-C240 PolarHBondContact O-SG 3.48Å; D217-C240 VanDerWaalsContact O-SG 3.41Å
218T98.5Very high98.7Very high20 Ų2029.6 Ų29.612%0.12314%0.143CC..SBendtrans-113.91.6177.584.90000112.5T153 V159 G241 L242 A243T153-T218 PolarHBondContact O-OG1 2.84Å; T153-T218 PolarHBondContact OG1-N 3.1Å; V159-T218 HydrophobicContact CB-CG2 3.84Å; V159-T218 HydrophobicContact CG1-CG2 3.73Å; T218-G241 CarbonylContact O-C 3.54Å; T218-G241 WeakPolarHBondContact O-CA 3.46Å; T218-L242 PolarHBondContact O-N 3.18Å; T218-A243 PolarHBondContact O-N 2.94Å
219V98.4Very high98.7Very high14 Ų1427.3 Ų27.39%0.08513%0.133CC..SBendtrans-107.8-42.2-166.8-179.20000111.5T153 D217 V223 L242 A243 G244T153-V219 WeakPolarHBondContact OG1-CG2 3.41Å; D217-V219 PolarHBondContact OD2-N 2.86Å; V219-V223 HydrophobicContact CB-CB 4.2Å; V219-V223 HydrophobicContact CB-CG1 4.21Å; V219-V223 HydrophobicContact CG1-CB 3.87Å; V219-V223 HydrophobicContact CG1-CG1 4.31Å; V219-V223 HydrophobicContact CG1-CG2 3.82Å; V219-L242 CarbonylContact O-C 3.49Å; V219-L242 VanDerWaalsContact O-C 3.22Å; V219-L242 WeakPolarHBondContact O-CA 3.44Å; V219-A243 PolarHBondContact O-N 3.21Å; V219-G244 WeakPolarHBondContact O-CA 3.41Å; V219-G244 PolarHBondContact O-N 3.29Å
220G98.2Very high98.7Very high6 Ų620.4 Ų20.46%0.06210%0.104CC..BIsolated β-bridgetrans72-158.7-171.900000113.1D217 V223 L224D217-G220 WeakPolarHBondContact OD2-CA 3.47Å; D217-G220 PolarHBondContact OD2-N 3.29Å; G220-V223 PolarHBondContact O-N 3.19Å; G220-L224 PolarHBondContact O-N 3.4Å; G220-L224 VanDerWaalsContact O-N 3.12Å
221D98.2Very high98.7Very high37 Ų3716.2 Ų16.220%0.1988%0.084CC..Hα-helixtrans51.5-147.2175.3-147.7-66.9000113.7V223 L224 A225 T247D221-V223 PolarHBondContact O-N 3.13Å; D221-L224 PolarHBondContact O-N 3.19Å; D221-A225 PolarHBondContact O-N 3.35Å; D221-T247 WeakPolarHBondContact CA-O 3.32Å; D221-T247 PolarHBondContact N-O 3.33Å
222K98.4Very high98.7Very high119 Ų11916.2 Ų16.252%0.5178%0.082SC..Hα-helixtrans-55-33179.3-74.2167174.9-166.30113.2A202 A225 K226 P249A202-K222 WeakPolarHBondContact O-CD 3.4Å; K222-A225 PolarHBondContact O-N 3.26Å; K222-K226 PolarHBondContact O-N 3.28Å; K222-P249 HydrophobicContact CG-CG 4.08Å
223V98.7Very high98.7Very high14 Ų1423.6 Ų23.69%0.08511%0.111CC..Hα-helixtrans-62.9-52.4178.3176.80000110.1T153 R198 F201 V219 G220 D221 A225 K226 V227T153-V223 HydrophobicContact CG2-CG1 3.82Å; R198-V223 HydrophobicContact CG-CG2 4.25Å; F201-V223 HydrophobicContact CB-CB 4.33Å; F201-V223 HydrophobicContact CB-CG1 4.2Å; F201-V223 HydrophobicContact CB-CG2 4Å; F201-V223 HydrophobicContact CD1-CG1 4.36Å; F201-V223 HydrophobicContact CG-CG1 4.38Å; V219-V223 HydrophobicContact CB-CB 4.2Å; V219-V223 HydrophobicContact CB-CG1 4.21Å; V219-V223 HydrophobicContact CG1-CB 3.87Å; V219-V223 HydrophobicContact CG1-CG1 4.31Å; V219-V223 HydrophobicContact CG1-CG2 3.82Å; G220-V223 PolarHBondContact O-N 3.19Å; D221-V223 PolarHBondContact O-N 3.13Å; V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 2.89Å; V223-K226 PolarHBondContact O-N 2.66Å; V223-V227 WeakPolarHBondContact O-CG2 3.47Å; V223-V227 PolarHBondContact O-N 3.48Å
224L98.8Very high98.7Very high12 Ų1225 Ų256%0.06313%0.126CC..Hα-helixtrans-61.5-41.6175.5177.454.5000111.7D217 G220 D221 K226 V227 L228 V237 A239 L248 L262D217-L224 HydrophobicContact CB-CD1 3.92Å; G220-L224 PolarHBondContact O-N 3.4Å; G220-L224 VanDerWaalsContact O-N 3.12Å; D221-L224 PolarHBondContact O-N 3.19Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.4Å; L224-V227 PolarHBondContact O-N 3.07Å; L224-L228 HydrophobicContact CD1-CD1 4.31Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4.24Å; L224-L228 WeakPolarHBondContact O-CG 3.5Å; L224-L228 PolarHBondContact O-N 2.96Å; L224-V237 HydrophobicContact CD1-CG1 3.64Å; L224-A239 HydrophobicContact CD2-CB 4.25Å; L224-L248 HydrophobicContact CB-CD1 4.33Å; L224-L248 HydrophobicContact CD2-CD1 3.8Å; L224-L248 HydrophobicContact CG-CD1 3.83Å; L224-L262 HydrophobicContact CD1-CD1 4.24Å
225A98.7Very high98.7Very high2 Ų225.2 Ų25.22%0.01713%0.128CC..Hα-helixtrans-59.1-41.8177.800000112.5D221 K222 V223 A229 P249D221-A225 PolarHBondContact O-N 3.35Å; K222-A225 PolarHBondContact O-N 3.26Å; V223-A225 VanDerWaalsContact C-N 3.33Å; V223-A225 PolarHBondContact O-N 2.89Å; A225-A229 PolarHBondContact O-N 3.47Å; A225-P249 HydrophobicContact CB-CG 4.24Å; A225-P249 WeakPolarHBondContact CB-O 3.47Å
226K98.7Very high98.7Very high34 Ų3425.2 Ų25.215%0.14813%0.128CC..Hα-helixtrans-71.2-40.6175.8-171173.2-159.4157.20112.8E200 F201 E203 K222 V223 L224 L228 A229 Q230E200-K226 VanDerWaalsContact O-CD 3.31Å; E200-K226 WeakPolarHBondContact O-CD 3.42Å; E200-K226 VanDerWaalsContact O-CE 3.29Å; E200-K226 WeakPolarHBondContact O-CE 3.41Å; E200-K226 PolarHBondContact O-NZ 3.15Å; F201-K226 HydrophobicContact CB-CD 4.29Å; F201-K226 HydrophobicContact CD1-CB 4.23Å; F201-K226 HydrophobicContact CD1-CD 4.12Å; F201-K226 HydrophobicContact CD1-CG 4.29Å; F201-K226 HydrophobicContact CG-CD 4.38Å; E203-K226 VanDerWaalsContact O-CD 3.3Å; E203-K226 WeakPolarHBondContact O-CD 3.46Å; E203-K226 WeakPolarHBondContact O-CE 3.46Å; E203-K226 PolarHBondContact O-NZ 3.28Å; K222-K226 PolarHBondContact O-N 3.28Å; V223-K226 PolarHBondContact O-N 2.66Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 3.4Å; K226-L228 VanDerWaalsContact C-N 3.29Å; K226-L228 PolarHBondContact O-N 2.96Å; K226-A229 WeakPolarHBondContact O-CB 3.41Å; K226-A229 PolarHBondContact O-N 2.86Å; K226-A229 VanDerWaalsContact O-N 3.12Å; K226-Q230 HydrophobicContact CG-CG 4.48Å; K226-Q230 WeakPolarHBondContact O-CG 3.28Å; K226-Q230 PolarHBondContact O-N 3.41Å; K226-Q230 VanDerWaalsContact O-N 3.16Å
227V98.8Very high98.7Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-56.1-46.9175.2168.30000110.1V151 T153 F201 A215 V223 L224 A229 Q230 M231 V237V151-V227 HydrophobicContact CG1-CG1 4.05Å; V151-V227 HydrophobicContact CG1-CG2 4.46Å; T153-V227 HydrophobicContact CG2-CG2 3.97Å; F201-V227 HydrophobicContact CD1-CG2 4.05Å; F201-V227 HydrophobicContact CE1-CG2 3.83Å; A215-V227 HydrophobicContact CB-CG1 3.58Å; V223-V227 WeakPolarHBondContact O-CG2 3.47Å; V223-V227 PolarHBondContact O-N 3.48Å; L224-V227 PolarHBondContact O-N 3.07Å; V227-A229 VanDerWaalsContact C-N 3.32Å; V227-A229 PolarHBondContact O-N 3.45Å; V227-Q230 PolarHBondContact O-N 2.7Å; V227-M231 HydrophobicContact CG1-SD 3.94Å; V227-M231 WeakPolarHBondContact O-CG 3.32Å; V227-M231 PolarHBondContact O-N 3.49Å; V227-V237 HydrophobicContact CG1-CG2 4.15Å
228L98.9Very high98.7Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-56.2-43.5175.6-73.2166000112.4L224 K226 Q230 M231 V237 L248 T250 P254 F255 V260 L262L224-L228 HydrophobicContact CD1-CD1 4.31Å; L224-L228 HydrophobicContact CD1-CG 4.21Å; L224-L228 HydrophobicContact CG-CD1 4.24Å; L224-L228 WeakPolarHBondContact O-CG 3.5Å; L224-L228 PolarHBondContact O-N 2.96Å; K226-L228 VanDerWaalsContact C-N 3.29Å; K226-L228 PolarHBondContact O-N 2.96Å; L228-Q230 PolarHBondContact O-N 3.38Å; L228-M231 PolarHBondContact O-N 2.96Å; L228-V237 HydrophobicContact CD2-CB 4.4Å; L228-V237 HydrophobicContact CD2-CG2 3.86Å; L228-L248 HydrophobicContact CD1-CD1 4.21Å; L228-T250 HydrophobicContact CD1-CG2 4.27Å; L228-P254 HydrophobicContact CB-CG 4.42Å; L228-P254 WeakPolarHBondContact O-CB 3.28Å; L228-F255 HydrophobicContact CD1-CZ 4.09Å; L228-F255 HydrophobicContact CD2-CE1 4.23Å; L228-F255 HydrophobicContact CD2-CZ 3.99Å; L228-V260 HydrophobicContact CD2-CG1 3.99Å; L228-L262 HydrophobicContact CD1-CD2 4.43Å; L228-L262 HydrophobicContact CD2-CB 4.36Å; L228-L262 HydrophobicContact CD2-CD1 4.43Å
229A98.8Very high98.7Very high2 Ų225.1 Ų25.12%0.01713%0.13CC..Hα-helixtrans-66.1-2017800000113.9R205 E208 A225 K226 V227 R258R205-A229 WeakPolarHBondContact O-CB 3.45Å; E208-A229 HydrophobicContact CB-CB 4.33Å; E208-A229 HydrophobicContact CG-CB 3.96Å; E208-A229 PolarHBondContact N-O 3.28Å; A225-A229 PolarHBondContact O-N 3.47Å; K226-A229 WeakPolarHBondContact O-CB 3.41Å; K226-A229 PolarHBondContact O-N 2.86Å; K226-A229 VanDerWaalsContact O-N 3.12Å; V227-A229 VanDerWaalsContact C-N 3.32Å; V227-A229 PolarHBondContact O-N 3.45Å; A229-R258 PolarHBondContact O-NH1 2.86Å
230Q98.9Very high98.7Very high28 Ų2826 Ų2613%0.13114%0.136CC..Hα-helixtrans-101.7-3.6-177.8-69.6175.4-18.500114.2E208 K209 Q210 V211 W212 K226 V227 L228E208-Q230 HydrophobicContact CB-CG 3.66Å; E208-Q230 HydrophobicContact CG-CG 4.23Å; K209-Q230 WeakPolarHBondContact O-CA 3.29Å; Q210-Q230 CarbonylContact C-O 3.59Å; Q210-Q230 WeakPolarHBondContact CA-O 3.48Å; V211-Q230 PolarHBondContact N-O 3.01Å; W212-Q230 PolarHBondContact N-O 2.95Å; K226-Q230 HydrophobicContact CG-CG 4.48Å; K226-Q230 WeakPolarHBondContact O-CG 3.28Å; K226-Q230 PolarHBondContact O-N 3.41Å; K226-Q230 VanDerWaalsContact O-N 3.16Å; V227-Q230 PolarHBondContact O-N 2.7Å; L228-Q230 PolarHBondContact O-N 3.38Å
231M98.9Very high98.6Very high0 Ų027.1 Ų27.10%015%0.148CC..EExtended strand (participates in β ladder)trans-62.8142.5179.5-63-51.9-61.900112W212 A215 V227 L228 C236 V237 R258 V260W212-M231 HydrophobicContact CB-CE 3.98Å; W212-M231 HydrophobicContact CB-SD 3.71Å; W212-M231 HydrophobicContact CG-SD 4.34Å; W212-M231 WeakPolarHBondContact O-CE 3.39Å; A215-M231 HydrophobicContact CB-CE 4.49Å; A215-M231 HydrophobicContact CB-SD 4.16Å; V227-M231 HydrophobicContact CG1-SD 3.94Å; V227-M231 WeakPolarHBondContact O-CG 3.32Å; V227-M231 PolarHBondContact O-N 3.49Å; L228-M231 PolarHBondContact O-N 2.96Å; M231-C236 WeakPolarHBondContact CE-O 3.48Å; M231-V237 HydrophobicContact CE-CG2 4.05Å; M231-V237 HydrophobicContact CG-CG2 3.77Å; M231-V237 HydrophobicContact SD-CG2 3.58Å; M231-V237 VanDerWaalsContact SD-CG2 3.58Å; M231-R258 WeakPolarHBondContact O-CD 3.46Å; M231-R258 PolarHBondContact O-NH1 2.82Å; M231-V260 HydrophobicContact CB-CG1 4.1Å; M231-V260 HydrophobicContact CB-CG2 3.6Å; M231-V260 HydrophobicContact CG-CG1 3.91Å; M231-V260 HydrophobicContact CG-CG2 4.32Å
232N98.8Very high98.5Very high39 Ų3929.7 Ų29.721%0.20916%0.161CC..EExtended strand (participates in β ladder)trans-63.5157167-68.4-11.8000110.5Q210 V211 W212 G234 G235Q210-N232 VanDerWaalsContact C-OD1 3.29Å; Q210-N232 WeakPolarHBondContact CB-OD1 3.4Å; V211-N232 VanDerWaalsContact C-OD1 3.29Å; V211-N232 PolarHBondContact N-OD1 2.76Å; W212-N232 PolarHBondContact N-OD1 3.18Å; W212-N232 WeakPolarHBondContact O-CB 3.28Å; W212-N232 PolarHBondContact O-N 2.97Å; N232-G234 PolarHBondContact O-N 3.05Å; N232-G235 PolarHBondContact O-N 3.31Å
233Y98.7Very high98.4Very high163 Ų16326.8 Ų26.864%0.63916%0.159SC*.EExtended strand (participates in β ladder)trans-55.2125.3172.9-170.3-79.3000110.4G235 R258 N259Y233-G235 VanDerWaalsContact C-N 3.26Å; Y233-G235 PolarHBondContact O-N 3.38Å; Y233-R258 CarbonylContact C-O 3.43Å; Y233-R258 VanDerWaalsContact CA-O 3.31Å; Y233-R258 WeakPolarHBondContact CA-O 3.44Å; Y233-R258 HydrophobicContact CD2-CB 4.4Å; Y233-N259 HydrophobicContact CE1-CB 4.2Å; Y233-N259 HydrophobicContact CE2-CB 4.49Å
234G98.6Very high98.2Very high35 Ų3528.4 Ų28.436%0.36118%0.179SC..EExtended strand (participates in β ladder)trans77.52.9-176.100000115.1N232 R258N232-G234 PolarHBondContact O-N 3.05Å; G234-R258 PolarHBondContact N-O 3.11Å
235G98.8Very high98Very high4 Ų428.8 Ų28.84%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-66.3159.4-179.400000113.6A213 N232 Y233 V260 R261A213-G235 VanDerWaalsContact O-CA 3.26Å; A213-G235 WeakPolarHBondContact O-CA 3.35Å; N232-G235 PolarHBondContact O-N 3.31Å; Y233-G235 VanDerWaalsContact C-N 3.26Å; Y233-G235 PolarHBondContact O-N 3.38Å; G235-V260 WeakPolarHBondContact O-CA 3.41Å; G235-R261 PolarHBondContact O-N 2.85Å
236C98.9Very high97.9Very high0 Ų037.4 Ų37.40%022%0.223CC..EExtended strand (participates in β ladder)trans-123.9137.4-178.8-175.10000112.7L138 A141 V143 A213 G214 A215 M231 R261L138-C236 HydrophobicContact CD2-CB 3.87Å; L138-C236 VanDerWaalsContact CD2-O 3.27Å; L138-C236 WeakPolarHBondContact CD2-O 3.46Å; A141-C236 HydrophobicContact CB-CB 3.47Å; A141-C236 VanDerWaalsContact CB-CB 3.47Å; V143-C236 HydrophobicContact CG2-CB 4.05Å; A213-C236 PolarHBondContact O-N 3.44Å; G214-C236 CarbonylContact C-O 3.55Å; G214-C236 WeakPolarHBondContact CA-O 3.31Å; A215-C236 PolarHBondContact N-O 3.05Å; M231-C236 WeakPolarHBondContact CE-O 3.48Å; C236-R261 CarbonylContact C-O 3.58Å; C236-R261 WeakPolarHBondContact CA-O 3.42Å; C236-R261 HydrophobicContact CB-CB 4.25Å
237V99Very high97.8Very high0 Ų039.3 Ų39.30%024%0.237CC..EExtended strand (participates in β ladder)trans-111.6120.2169.8-175.80000108.8A215 D217 L224 V227 L228 M231 R261 L262 Q263A215-V237 HydrophobicContact CB-CB 4.31Å; A215-V237 HydrophobicContact CB-CG1 4.02Å; A215-V237 HydrophobicContact CB-CG2 4.01Å; A215-V237 CarbonylContact O-C 3.59Å; A215-V237 WeakPolarHBondContact O-CA 3.47Å; D217-V237 HydrophobicContact CB-CG1 4.19Å; L224-V237 HydrophobicContact CD1-CG1 3.64Å; V227-V237 HydrophobicContact CG1-CG2 4.15Å; L228-V237 HydrophobicContact CD2-CB 4.4Å; L228-V237 HydrophobicContact CD2-CG2 3.86Å; M231-V237 HydrophobicContact CE-CG2 4.05Å; M231-V237 HydrophobicContact CG-CG2 3.77Å; M231-V237 HydrophobicContact SD-CG2 3.58Å; M231-V237 VanDerWaalsContact SD-CG2 3.58Å; V237-R261 PolarHBondContact N-O 3.28Å; V237-L262 HydrophobicContact CB-CD1 3.95Å; V237-L262 HydrophobicContact CG1-CD1 3.94Å; V237-Q263 PolarHBondContact O-N 3.48Å
238A98.9Very high97.8Very high0 Ų042.9 Ų42.90%026%0.256CS..EExtended strand (participates in β ladder)trans-91.1112.1167.400000109.1C134 A137 L138 A215 I216 D217 Q263 V265C134-A238 HydrophobicContact CB-CB 3.7Å; A137-A238 HydrophobicContact CB-CB 4.22Å; L138-A238 HydrophobicContact CD2-CB 4.39Å; A215-A238 PolarHBondContact O-N 2.99Å; I216-A238 WeakPolarHBondContact CA-O 3.38Å; D217-A238 PolarHBondContact N-O 3.08Å; A238-Q263 WeakPolarHBondContact CA-O 3.34Å; A238-V265 HydrophobicContact CB-CG2 4.15Å
239A98.9Very high97.8Very high19 Ų1946 Ų4616%0.15728%0.276CS..EExtended strand (participates in β ladder)trans-106.1123.4-17600000111.1L224 L262 Q263 V265L224-A239 HydrophobicContact CD2-CB 4.25Å; A239-L262 HydrophobicContact CB-CD1 3.73Å; A239-Q263 PolarHBondContact N-O 3.41Å; A239-V265 PolarHBondContact O-N 3.46Å
240C98.5Very high97.7Very high33 Ų3348.2 Ų48.222%0.22329%0.29CS..  trans-140.14.7-172.770.50000114.6T130 D217 V265T130-C240 HydrophobicContact CG2-CB 3.54Å; D217-C240 PolarHBondContact O-N 3.13Å; D217-C240 PolarHBondContact O-SG 3.48Å; D217-C240 VanDerWaalsContact O-SG 3.41Å; C240-V265 HydrophobicContact CB-CB 4.05Å
241G96.3Very high97.7Very high29 Ų2949.4 Ų49.430%0.29930%0.299SS..  trans-144.9170.3-176.400000114T218T218-G241 CarbonylContact O-C 3.54Å; T218-G241 WeakPolarHBondContact O-CA 3.46Å
242L96.4Very high97.7Very high91 Ų9154.1 Ų54.148%0.47633%0.327SS..  trans-145.924.5-173.955.176.1000111.9Y41 T218 V219 G244 G245Y41-L242 HydrophobicContact CE1-CD1 4.02Å; T218-L242 PolarHBondContact O-N 3.18Å; V219-L242 CarbonylContact O-C 3.49Å; V219-L242 VanDerWaalsContact O-C 3.22Å; V219-L242 WeakPolarHBondContact O-CA 3.44Å; L242-G244 PolarHBondContact O-N 2.94Å; L242-G244 VanDerWaalsContact O-N 3.16Å; L242-G245 PolarHBondContact O-N 3.25Å
243A94.4Very high97.7Very high57 Ų5756 Ų5647%0.47134%0.336SS..THydrogen-bonded Turntrans-61.1-25.1-175.100000113.3T218 V219T218-A243 PolarHBondContact O-N 2.94Å; V219-A243 PolarHBondContact O-N 3.21Å
244G94.6Very high97.7Very high49 Ų4948.2 Ų48.251%0.50531%0.306SS..THydrogen-bonded Turntrans-92.3-19.2173.800000114.3V219 L242V219-G244 WeakPolarHBondContact O-CA 3.41Å; V219-G244 PolarHBondContact O-N 3.29Å; L242-G244 PolarHBondContact O-N 2.94Å; L242-G244 VanDerWaalsContact O-N 3.16Å
245G95.3Very high97.7Very high19 Ų1949.4 Ų49.420%0.19630%0.301CS..BIsolated β-bridgetrans149.1156.9-177.800000112.6L242L242-G245 PolarHBondContact O-N 3.25Å
246F95.9Very high97.7Very high183 Ų18354.8 Ų54.880%0.80333%0.328SS*.SBendtrans-91-8.7178.367-95.5000113.4
247T97.8Very high97.7Very high75 Ų7559.4 Ų59.446%0.4635%0.352SS..  trans-69.5149.3175.4-510000109.4D221D221-T247 WeakPolarHBondContact CA-O 3.32Å; D221-T247 PolarHBondContact N-O 3.33Å
248L98.5Very high97.7Very high74 Ų7461 Ų6139%0.38736%0.358SS..  trans-125.783.8171.1-179.456.5000110L224 L228 T250 L262L224-L248 HydrophobicContact CB-CD1 4.33Å; L224-L248 HydrophobicContact CD2-CD1 3.8Å; L224-L248 HydrophobicContact CG-CD1 3.83Å; L228-L248 HydrophobicContact CD1-CD1 4.21Å; L248-T250 HydrophobicContact CD1-CG2 4.29Å; L248-T250 HydrophobicContact CD2-CG2 4.27Å; L248-T250 HydrophobicContact CG-CG2 3.91Å; L248-T250 PolarHBondContact O-N 3.42Å; L248-L262 HydrophobicContact CD2-CD2 4.04Å
249P97.9Very high97.7Very high65 Ų6566.1 Ų66.142%0.42239%0.385SS..  trans-81.463.4-175.734.6-35.2000111.7K222 A225K222-P249 HydrophobicContact CG-CG 4.08Å; A225-P249 HydrophobicContact CB-CG 4.24Å; A225-P249 WeakPolarHBondContact CB-O 3.47Å
250T98.4Very high97.7Very high49 Ų4965.7 Ų65.730%0.30138%0.38SS..  trans-109.7-177.7-178.1-160.20000113.2L228 L248 F255L228-T250 HydrophobicContact CD1-CG2 4.27Å; L248-T250 HydrophobicContact CD1-CG2 4.29Å; L248-T250 HydrophobicContact CD2-CG2 4.27Å; L248-T250 HydrophobicContact CG-CG2 3.91Å; L248-T250 PolarHBondContact O-N 3.42Å; T250-F255 HydrophobicContact CG2-CE2 4.29Å
251T98.5Very high97.7Very high54 Ų5469.6 Ų69.633%0.33139%0.391SS..  trans-123.8165.3171.876.10000110.4P206 M253 P254 F255P206-T251 HydrophobicContact CB-CG2 4Å; P206-T251 HydrophobicContact CG-CG2 4.1Å; T251-M253 PolarHBondContact O-N 3.46Å; T251-M253 WeakPolarHBondContact OG1-CB 3.49Å; T251-M253 WeakPolarHBondContact OG1-CG 3.21Å; T251-M253 PolarHBondContact OG1-N 2.95Å; T251-P254 WeakPolarHBondContact O-CD 3.17Å; T251-F255 WeakPolarHBondContact O-CE2 3.43Å
252V98.6Very high97.8Very high98 Ų9871 Ų7159%0.59439%0.391SS*.SBendtrans-73.6-9.2175.2-63.20000113.7F255 I256V252-F255 WeakPolarHBondContact O-CB 3.48Å; V252-F255 PolarHBondContact O-N 2.88Å; V252-F255 VanDerWaalsContact O-N 3.12Å; V252-I256 HydrophobicContact CB-CG2 4.47Å; V252-I256 HydrophobicContact CG2-CD1 4Å; V252-I256 PolarHBondContact O-N 3.14Å
253M98.8Very high97.9Very high79 Ų7970.8 Ų70.839%0.38939%0.387SS..Hα-helixtrans-59.4-44.9-171.3-62.1-71.2-132.300114.1P206 L207 T251 F255 L257P206-M253 HydrophobicContact CB-CB 4.22Å; P206-M253 HydrophobicContact CB-CG 3.94Å; L207-M253 HydrophobicContact CD1-CB 4.49Å; L207-M253 HydrophobicContact CD2-CB 4.23Å; L207-M253 HydrophobicContact CG-CB 4.03Å; T251-M253 PolarHBondContact O-N 3.46Å; T251-M253 WeakPolarHBondContact OG1-CB 3.49Å; T251-M253 WeakPolarHBondContact OG1-CG 3.21Å; T251-M253 PolarHBondContact OG1-N 2.95Å; M253-F255 PolarHBondContact O-N 2.93Å; M253-L257 HydrophobicContact CB-CD1 4.32Å; M253-L257 VanDerWaalsContact O-CB 3.23Å; M253-L257 WeakPolarHBondContact O-CB 3.31Å; M253-L257 PolarHBondContact O-N 3.24Å; M253-L257 HydrophobicContact SD-CD1 3.69Å; M253-L257 HydrophobicContact SD-CG 4.44Å
254P98.8Very high98.1Very high0 Ų070.5 Ų70.50%039%0.39CS..Hα-helixtrans-59.5-37.1176-23.835.2000112.8L207 L228 T251 R258 N259 V260L207-P254 HydrophobicContact CD2-CB 4.34Å; L207-P254 HydrophobicContact CD2-CG 4.08Å; L228-P254 HydrophobicContact CB-CG 4.42Å; L228-P254 WeakPolarHBondContact O-CB 3.28Å; T251-P254 WeakPolarHBondContact O-CD 3.17Å; P254-R258 CarbonylContact O-C 3.58Å; P254-R258 WeakPolarHBondContact O-CA 3.36Å; P254-R258 VanDerWaalsContact O-CB 3.28Å; P254-R258 WeakPolarHBondContact O-CB 3.26Å; P254-R258 PolarHBondContact O-N 3.09Å; P254-N259 PolarHBondContact O-N 3.02Å; P254-V260 HydrophobicContact CB-CB 4.36Å; P254-V260 HydrophobicContact CB-CG2 4.13Å; P254-V260 WeakPolarHBondContact O-CG2 3.4Å; P254-V260 PolarHBondContact O-N 3.38Å
255F98.9Very high98.3Very high59 Ų5969.4 Ų69.426%0.25937%0.374SS..Hα-helixtrans-71.3-52.7-178-52-86.2000111.1L228 T250 T251 V252 M253 N259 V260 L262L228-F255 HydrophobicContact CD1-CZ 4.09Å; L228-F255 HydrophobicContact CD2-CE1 4.23Å; L228-F255 HydrophobicContact CD2-CZ 3.99Å; T250-F255 HydrophobicContact CG2-CE2 4.29Å; T251-F255 WeakPolarHBondContact O-CE2 3.43Å; V252-F255 WeakPolarHBondContact O-CB 3.48Å; V252-F255 PolarHBondContact O-N 2.88Å; V252-F255 VanDerWaalsContact O-N 3.12Å; M253-F255 PolarHBondContact O-N 2.93Å; F255-N259 WeakPolarHBondContact O-CA 3.49Å; F255-N259 PolarHBondContact O-N 2.94Å; F255-V260 WeakPolarHBondContact CD1-O 3.37Å; F255-L262 HydrophobicContact CE1-CB 3.8Å; F255-L262 HydrophobicContact CZ-CB 4.39Å; F255-L262 HydrophobicContact CZ-CD2 4.43Å
256I98.6Very high98.5Very high118 Ų11872.7 Ų72.761%0.60539%0.387SS*.Hα-helixtrans-82.1-23.5-172.472.8-177.5000113.6V252V252-I256 HydrophobicContact CB-CG2 4.47Å; V252-I256 HydrophobicContact CG2-CD1 4Å; V252-I256 PolarHBondContact O-N 3.14Å
257L98.7Very high98.6Very high97 Ų9764.7 Ų64.751%0.50835%0.353SS..Hα-helixtrans-104.7-21.6-178.2-56.4-179.3000113.6L207 M253L207-L257 HydrophobicContact CD1-CB 4.35Å; L207-L257 HydrophobicContact CD1-CD1 3.84Å; M253-L257 HydrophobicContact CB-CD1 4.32Å; M253-L257 VanDerWaalsContact O-CB 3.23Å; M253-L257 WeakPolarHBondContact O-CB 3.31Å; M253-L257 PolarHBondContact O-N 3.24Å; M253-L257 HydrophobicContact SD-CD1 3.69Å; M253-L257 HydrophobicContact SD-CG 4.44Å
258R98.7Very high98.7Very high33 Ų3362.2 Ų62.213%0.12534%0.338CS..Hα-helixtrans-123.16.4178.7-65.2-174.2-179.1163.95113.9L207 E208 A229 M231 Y233 G234 P254 V260L207-R258 HydrophobicContact CD2-CG 4.4Å; E208-R258 VanDerWaalsContact O-CZ 3.26Å; E208-R258 PolarHBondContact O-NH1 3.46Å; E208-R258 PolarHBondContact O-NH2 2.85Å; A229-R258 PolarHBondContact O-NH1 2.86Å; M231-R258 WeakPolarHBondContact O-CD 3.46Å; M231-R258 PolarHBondContact O-NH1 2.82Å; Y233-R258 CarbonylContact C-O 3.43Å; Y233-R258 VanDerWaalsContact CA-O 3.31Å; Y233-R258 WeakPolarHBondContact CA-O 3.44Å; Y233-R258 HydrophobicContact CD2-CB 4.4Å; G234-R258 PolarHBondContact N-O 3.11Å; P254-R258 CarbonylContact O-C 3.58Å; P254-R258 WeakPolarHBondContact O-CA 3.36Å; P254-R258 VanDerWaalsContact O-CB 3.28Å; P254-R258 WeakPolarHBondContact O-CB 3.26Å; P254-R258 PolarHBondContact O-N 3.09Å; R258-V260 HydrophobicContact CB-CG2 3.87Å; R258-V260 PolarHBondContact O-N 3.35Å; R258-V260 VanDerWaalsContact O-N 3.12Å
259N98.7Very high98.6Very high107 Ų10764.2 Ų64.257%0.57235%0.347SS*.  trans53.734.2177.8-156.367.7000113.1Y233 P254 F255Y233-N259 HydrophobicContact CE1-CB 4.2Å; Y233-N259 HydrophobicContact CE2-CB 4.49Å; P254-N259 PolarHBondContact O-N 3.02Å; F255-N259 WeakPolarHBondContact O-CA 3.49Å; F255-N259 PolarHBondContact O-N 2.94Å
260V98.9Very high98.7Very high10 Ų1061.5 Ų61.56%0.06133%0.329CS..  trans-71.1136.8-178.3173.80000110.2L228 M231 G235 P254 F255 R258L228-V260 HydrophobicContact CD2-CG1 3.99Å; M231-V260 HydrophobicContact CB-CG1 4.1Å; M231-V260 HydrophobicContact CB-CG2 3.6Å; M231-V260 HydrophobicContact CG-CG1 3.91Å; M231-V260 HydrophobicContact CG-CG2 4.32Å; G235-V260 WeakPolarHBondContact O-CA 3.41Å; P254-V260 HydrophobicContact CB-CB 4.36Å; P254-V260 HydrophobicContact CB-CG2 4.13Å; P254-V260 WeakPolarHBondContact O-CG2 3.4Å; P254-V260 PolarHBondContact O-N 3.38Å; F255-V260 WeakPolarHBondContact CD1-O 3.37Å; R258-V260 HydrophobicContact CB-CG2 3.87Å; R258-V260 PolarHBondContact O-N 3.35Å; R258-V260 VanDerWaalsContact O-N 3.12Å
261R98.9Very high98.7Very high116 Ų11662.9 Ų62.944%0.43834%0.339SS..EExtended strand (participates in β ladder)trans-99.1128.6171.9-174.4-177.4-62.2177.23.3110.5D140 A141 G235 C236 V237D140-R261 PolarHBondContact O-NH1 3.38Å; A141-R261 VanDerWaalsContact CA-NH1 3.34Å; G235-R261 PolarHBondContact O-N 2.85Å; C236-R261 CarbonylContact C-O 3.58Å; C236-R261 WeakPolarHBondContact CA-O 3.42Å; C236-R261 HydrophobicContact CB-CB 4.25Å; V237-R261 PolarHBondContact N-O 3.28Å
262L98.9Very high98.6Very high58 Ų5864.6 Ų64.630%0.30435%0.351SS..EExtended strand (participates in β ladder)trans-107.7109.1165.4177.162.2000108.7L224 L228 V237 A239 L248 F255L224-L262 HydrophobicContact CD1-CD1 4.24Å; L228-L262 HydrophobicContact CD1-CD2 4.43Å; L228-L262 HydrophobicContact CD2-CB 4.36Å; L228-L262 HydrophobicContact CD2-CD1 4.43Å; V237-L262 HydrophobicContact CB-CD1 3.95Å; V237-L262 HydrophobicContact CG1-CD1 3.94Å; A239-L262 HydrophobicContact CB-CD1 3.73Å; L248-L262 HydrophobicContact CD2-CD2 4.04Å; F255-L262 HydrophobicContact CE1-CB 3.8Å; F255-L262 HydrophobicContact CZ-CB 4.39Å; F255-L262 HydrophobicContact CZ-CD2 4.43Å
263Q98.9Very high98.6Very high86 Ų8668.2 Ų68.240%0.40236%0.361SS..EExtended strand (participates in β ladder)trans-101.1114180-179.959.664.100109.6A137 V237 A238 A239 V265A137-Q263 HydrophobicContact CB-CB 4.48Å; A137-Q263 HydrophobicContact CB-CG 3.87Å; V237-Q263 PolarHBondContact O-N 3.48Å; A238-Q263 WeakPolarHBondContact CA-O 3.34Å; A239-Q263 PolarHBondContact N-O 3.41Å; Q263-V265 HydrophobicContact CG-CG2 4.43Å
264G98.8Very high98.6Very high52 Ų5267.7 Ų67.754%0.53636%0.355SS..EExtended strand (participates in β ladder)trans-69.9135.5168.400000110.6
265V98.9Very high98.5Very high26 Ų2667.9 Ų67.916%0.15836%0.356CS..  trans-119.6113.6179.7179.40000109.6T130 L133 A137 A238 A239 C240 Q263T130-V265 HydrophobicContact CG2-CG1 4.24Å; L133-V265 HydrophobicContact CB-CG1 3.6Å; L133-V265 HydrophobicContact CD1-CG1 4.25Å; A137-V265 HydrophobicContact CB-CG2 4.42Å; A238-V265 HydrophobicContact CB-CG2 4.15Å; A239-V265 PolarHBondContact O-N 3.46Å; C240-V265 HydrophobicContact CB-CB 4.05Å; Q263-V265 HydrophobicContact CG-CG2 4.43Å
266D98.7Very high98.5Very high88 Ų8867 Ų6747%0.47136%0.359SS..  trans-106.1125172173.846.7000110.4V268 M269 T270D266-V268 WeakPolarHBondContact OD1-CB 3.38Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.41Å; D266-V268 PolarHBondContact OD1-N 3.24Å; D266-M269 WeakPolarHBondContact OD2-CB 3.23Å; D266-M269 PolarHBondContact OD2-N 2.91Å; D266-T270 PolarHBondContact O-OG1 2.96Å
267S98.5Very high98.5Very high14 Ų1465.4 Ų65.410%0.09835%0.349CS..SBendtrans-92.2-17.7173.850.80000113.5T130 T270 R275T130-S267 VanDerWaalsContact OG1-CB 3.22Å; T130-S267 WeakPolarHBondContact OG1-CB 3.3Å; T130-S267 PolarHBondContact OG1-OG 3.22Å; T130-S267 VanDerWaalsContact OG1-OG 3.07Å; S267-T270 WeakPolarHBondContact CA-OG1 3.32Å; S267-T270 PolarHBondContact O-OG1 2.81Å; S267-R275 PolarHBondContact O-NH2 2.75Å
268V98.3Very high98.5Very high23 Ų2360.8 Ų60.814%0.13933%0.325CS..SBendtrans-69.5-49.1-171.9-177.90000110.2W88 D266 R275W88-V268 PolarHBondContact N-O 3.45Å; D266-V268 WeakPolarHBondContact OD1-CB 3.38Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.41Å; D266-V268 PolarHBondContact OD1-N 3.24Å; V268-R275 PolarHBondContact O-NH2 2.97Å
269M98.3Very high98.5Very high117 Ų11759.3 Ų59.358%0.57632%0.319SS*.SBendtrans-108.723.3-174.6-57.2-59.5-68.600112.7W88 D266 P271W88-M269 HydrophobicContact CE3-CE 4.09Å; W88-M269 HydrophobicContact CE3-SD 3.82Å; W88-M269 HydrophobicContact CZ3-CB 4.5Å; W88-M269 HydrophobicContact CZ3-CE 3.92Å; W88-M269 HydrophobicContact CZ3-SD 4.07Å; D266-M269 WeakPolarHBondContact OD2-CB 3.23Å; D266-M269 PolarHBondContact OD2-N 2.91Å; M269-P271 WeakPolarHBondContact O-CD 3.39Å
270T98.6Very high98.5Very high7 Ų760.5 Ų60.54%0.04332%0.322CS..  trans-56.6122.4177.8-51.60000110.3W88 F129 L133 D266 S267 R274 R275W88-T270 VanDerWaalsContact CH2-O 3.25Å; W88-T270 WeakPolarHBondContact CH2-O 3.49Å; W88-T270 VanDerWaalsContact CZ2-O 3.28Å; W88-T270 WeakPolarHBondContact CZ2-O 3.42Å; F129-T270 HydrophobicContact CE1-CG2 4.47Å; F129-T270 HydrophobicContact CZ-CG2 3.96Å; L133-T270 HydrophobicContact CD1-CG2 4.2Å; L133-T270 WeakPolarHBondContact CD1-OG1 3.23Å; L133-T270 HydrophobicContact CD2-CG2 4.07Å; D266-T270 PolarHBondContact O-OG1 2.96Å; S267-T270 WeakPolarHBondContact CA-OG1 3.32Å; S267-T270 PolarHBondContact O-OG1 2.81Å; T270-R274 HydrophobicContact CG2-CB 3.83Å; T270-R274 HydrophobicContact CG2-CG 3.86Å; T270-R275 HydrophobicContact CG2-CB 4.24Å
271P98.1Very high98.5Very high79 Ų7962.4 Ų62.451%0.51333%0.328SS..  trans-56.9150.3-178-26.734.6000112.7M269 E273 R274 R275M269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-E273 VanDerWaalsContact C-N 3.31Å; P271-E273 PolarHBondContact O-N 2.81Å; P271-E273 VanDerWaalsContact O-N 3.17Å; P271-R274 PolarHBondContact O-N 3.32Å; P271-R274 VanDerWaalsContact O-N 3.13Å; P271-R275 WeakPolarHBondContact O-CB 3.34Å; P271-R275 PolarHBondContact O-N 3.46Å
272P97.3Very high98.5Very high89 Ų8956.9 Ų56.958%0.57831%0.307SS*.Hα-helixtrans-51.7-43.1-174.1-3035.9000114.6R275 A276P272-R275 PolarHBondContact O-N 2.8Å; P272-A276 WeakPolarHBondContact O-CB 3.4Å; P272-A276 PolarHBondContact O-N 3.02Å
273E97.9Very high98.4Very high174 Ų17456.4 Ų56.481%0.81331%0.306SS*.Hα-helixtrans-63.4-48.1180-64.7180178.300112.2P271 R275 A276 Q277P271-E273 VanDerWaalsContact C-N 3.31Å; P271-E273 PolarHBondContact O-N 2.81Å; P271-E273 VanDerWaalsContact O-N 3.17Å; E273-R275 VanDerWaalsContact C-N 3.32Å; E273-R275 PolarHBondContact O-N 3.23Å; E273-A276 PolarHBondContact O-N 3.24Å; E273-Q277 WeakPolarHBondContact O-CB 3.45Å; E273-Q277 PolarHBondContact O-N 3.29Å
274R98.6Very high98.4Very high69 Ų6955.6 Ų55.626%0.2631%0.314SS..Hα-helixtrans-66.5-36.4178.3-169.876.6171.5177.8-4111.1L133 D140 T270 P271 Q277 A278L133-R274 HydrophobicContact CD2-CG 4.07Å; D140-R274 IonicContact OD2-CZ 2.61Å; D140-R274 IonicContact OD2-NH1 3.1Å; D140-R274 PolarHBondContact OD2-NH1 2.79Å; D140-R274 IonicContact OD2-NH2 3.26Å; D140-R274 PolarHBondContact OD2-NH2 2.89Å; T270-R274 HydrophobicContact CG2-CB 3.83Å; T270-R274 HydrophobicContact CG2-CG 3.86Å; P271-R274 PolarHBondContact O-N 3.32Å; P271-R274 VanDerWaalsContact O-N 3.13Å; R274-Q277 PolarHBondContact O-N 3.01Å; R274-A278 WeakPolarHBondContact O-CB 3.32Å; R274-A278 PolarHBondContact O-N 2.81Å
275R98.7Very high98.4Very high4 Ų454.4 Ų54.42%0.01530%0.295CS..Hα-helixtrans-63.1-48174.9178.3178.5-62.5-83.81.8111.2T86 V110 F129 S267 V268 T270 P271 P272 E273 A278 W279T86-R275 PolarHBondContact O-NH1 3.02Å; T86-R275 PolarHBondContact O-NH2 3.17Å; T86-R275 PolarHBondContact OG1-NH1 2.64Å; V110-R275 HydrophobicContact CG2-CG 3.92Å; F129-R275 HydrophobicContact CE2-CB 4.24Å; F129-R275 HydrophobicContact CE2-CG 3.84Å; F129-R275 HydrophobicContact CZ-CB 4Å; F129-R275 HydrophobicContact CZ-CG 3.8Å; S267-R275 PolarHBondContact O-NH2 2.75Å; V268-R275 PolarHBondContact O-NH2 2.97Å; T270-R275 HydrophobicContact CG2-CB 4.24Å; P271-R275 WeakPolarHBondContact O-CB 3.34Å; P271-R275 PolarHBondContact O-N 3.46Å; P272-R275 PolarHBondContact O-N 2.8Å; E273-R275 VanDerWaalsContact C-N 3.32Å; E273-R275 PolarHBondContact O-N 3.23Å; R275-A278 PolarHBondContact O-N 2.98Å; R275-W279 PolarHBondContact O-N 3Å; R275-W279 VanDerWaalsContact O-N 3.08Å
276A97.9Very high98.3Very high40 Ų4053.6 Ų53.633%0.33129%0.29SS..Hα-helixtrans-61.2-44.2176.400000111.6P272 E273 A278 W279 Q280P272-A276 WeakPolarHBondContact O-CB 3.4Å; P272-A276 PolarHBondContact O-N 3.02Å; E273-A276 PolarHBondContact O-N 3.24Å; A276-A278 PolarHBondContact O-N 3.42Å; A276-W279 PolarHBondContact O-N 2.82Å; A276-Q280 WeakPolarHBondContact O-CG 3.37Å; A276-Q280 PolarHBondContact O-N 2.99Å
277Q98.5Very high98.3Very high85 Ų8551.3 Ų51.340%0.39728%0.28SS..Hα-helixtrans-58.9-46.4176.2-172.3-174.621.900112M136 E273 R274 W279 Q280 R281M136-Q277 HydrophobicContact CE-CB 4.26Å; M136-Q277 VanDerWaalsContact CE-CD 3.48Å; M136-Q277 HydrophobicContact CE-CG 3.82Å; E273-Q277 WeakPolarHBondContact O-CB 3.45Å; E273-Q277 PolarHBondContact O-N 3.29Å; R274-Q277 PolarHBondContact O-N 3.01Å; Q277-W279 PolarHBondContact O-N 3.07Å; Q277-Q280 PolarHBondContact O-N 3.35Å; Q277-R281 WeakPolarHBondContact O-CG 3.36Å; Q277-R281 PolarHBondContact O-N 3.05Å
278A98.8Very high98.2Very high0 Ų056.1 Ų56.10%030%0.301CS..Hα-helixtrans-64.1-39.8179.400000112.2F129 M132 L133 M136 R274 R275 A276 R281 L282F129-A278 HydrophobicContact CD2-CB 4.04Å; F129-A278 HydrophobicContact CE2-CB 3.65Å; F129-A278 HydrophobicContact CZ-CB 4.48Å; M132-A278 HydrophobicContact CG-CB 4.16Å; L133-A278 HydrophobicContact CD2-CB 3.91Å; L133-A278 HydrophobicContact CG-CB 4.49Å; M136-A278 HydrophobicContact SD-CB 3.86Å; R274-A278 WeakPolarHBondContact O-CB 3.32Å; R274-A278 PolarHBondContact O-N 2.81Å; R275-A278 PolarHBondContact O-N 2.98Å; A276-A278 PolarHBondContact O-N 3.42Å; A278-R281 PolarHBondContact O-N 3.07Å; A278-L282 WeakPolarHBondContact O-CB 3.44Å; A278-L282 WeakPolarHBondContact O-CD1 3.4Å; A278-L282 WeakPolarHBondContact O-CG 3.38Å; A278-L282 PolarHBondContact O-N 3.02Å
279W98.7Very high98.2Very high1 Ų157.9 Ų57.90%0.00431%0.314CS..Hα-helixtrans-64.6-40174.6-81.8114.1000113L84 T86 P113 L116 I124 F129 R275 A276 Q277 L282 V283L84-W279 HydrophobicContact CD1-CD2 4.32Å; L84-W279 VanDerWaalsContact CD1-CE2 3.49Å; L84-W279 HydrophobicContact CD1-CH2 4.25Å; L84-W279 HydrophobicContact CD1-CZ2 3.47Å; L84-W279 VanDerWaalsContact CD1-CZ2 3.47Å; L84-W279 HydrophobicContact CD2-CD2 4.07Å; L84-W279 HydrophobicContact CD2-CE3 4.11Å; L84-W279 HydrophobicContact CD2-CH2 4.02Å; L84-W279 HydrophobicContact CD2-CZ2 3.98Å; L84-W279 HydrophobicContact CD2-CZ3 4.08Å; L84-W279 HydrophobicContact CG-CZ2 4.39Å; T86-W279 HydrophobicContact CG2-CZ2 3.84Å; P113-W279 HydrophobicContact CG-CB 3.84Å; P113-W279 HydrophobicContact CG-CG 4.32Å; L116-W279 HydrophobicContact CD2-CE3 3.83Å; L116-W279 HydrophobicContact CD2-CZ3 3.76Å; I124-W279 HydrophobicContact CB-CH2 4.18Å; I124-W279 HydrophobicContact CB-CZ3 3.99Å; I124-W279 HydrophobicContact CD1-CZ3 3.92Å; I124-W279 HydrophobicContact CG2-CH2 3.82Å; I124-W279 HydrophobicContact CG2-CZ3 3.69Å; F129-W279 HydrophobicContact CB-CZ2 4.48Å; F129-W279 AromaticContact CD2-CE2 3.98Å; F129-W279 HydrophobicContact CD2-CZ2 4.42Å; F129-W279 AromaticContact CD2-NE1 3.73Å; F129-W279 AromaticContact CE2-NE1 3.88Å; R275-W279 PolarHBondContact O-N 3Å; R275-W279 VanDerWaalsContact O-N 3.08Å; A276-W279 PolarHBondContact O-N 2.82Å; Q277-W279 PolarHBondContact O-N 3.07Å; W279-L282 HydrophobicContact CD2-CD1 4.25Å; W279-L282 HydrophobicContact CE3-CD1 3.84Å; W279-L282 HydrophobicContact CZ3-CD1 4.13Å; W279-L282 WeakPolarHBondContact O-CB 3.31Å; W279-L282 PolarHBondContact O-N 3.22Å; W279-V283 WeakPolarHBondContact O-CG2 3.48Å; W279-V283 PolarHBondContact O-N 3.32Å; W279-V283 VanDerWaalsContact O-N 3.11Å
280Q98.3Very high98.2Very high132 Ų13252.3 Ų52.362%0.61729%0.287SS*.Hα-helixtrans-62.6-43.8174-71.4172.4-4.400111.7A276 Q277 L282 V283 A284A276-Q280 WeakPolarHBondContact O-CG 3.37Å; A276-Q280 PolarHBondContact O-N 2.99Å; Q277-Q280 PolarHBondContact O-N 3.35Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-L282 PolarHBondContact O-N 3.32Å; Q280-V283 PolarHBondContact O-N 2.82Å; Q280-A284 PolarHBondContact O-N 2.84Å; Q280-A284 VanDerWaalsContact O-N 3.14Å
281R98.6Very high98.2Very high51 Ų5152.6 Ų52.619%0.19229%0.287CS..Hα-helixtrans-61.7-41.7175.4-72.2-69.1-58.7-80.20.4112M132 E139 Q277 A278 V283 A284 D285M132-R281 HydrophobicContact CE-CB 3.78Å; M132-R281 HydrophobicContact CE-CG 4.24Å; M132-R281 HydrophobicContact CG-CB 3.93Å; M132-R281 HydrophobicContact SD-CB 3.6Å; M132-R281 VanDerWaalsContact SD-CB 3.6Å; E139-R281 IonicContact OE1-CZ 2.76Å; E139-R281 IonicContact OE1-NH1 3.33Å; E139-R281 PolarHBondContact OE1-NH1 3.33Å; E139-R281 IonicContact OE1-NH2 2.71Å; E139-R281 PolarHBondContact OE1-NH2 2.91Å; E139-R281 IonicContact OE2-CZ 2.73Å; E139-R281 IonicContact OE2-NH1 3.23Å; E139-R281 PolarHBondContact OE2-NH1 2.9Å; E139-R281 IonicContact OE2-NH2 3.45Å; Q277-R281 WeakPolarHBondContact O-CG 3.36Å; Q277-R281 PolarHBondContact O-N 3.05Å; A278-R281 PolarHBondContact O-N 3.07Å; R281-V283 VanDerWaalsContact C-N 3.33Å; R281-V283 PolarHBondContact O-N 3.01Å; R281-A284 PolarHBondContact O-N 3.35Å; R281-A284 VanDerWaalsContact O-N 3.14Å; R281-D285 IonicContact CZ-OD2 3.16Å; R281-D285 VanDerWaalsContact CZ-OD2 3.25Å; R281-D285 IonicContact NE-OD2 3.54Å; R281-D285 PolarHBondContact NE-OD2 2.79Å; R281-D285 IonicContact NH2-OD2 2.79Å; R281-D285 PolarHBondContact NH2-OD2 3.16Å; R281-D285 VanDerWaalsContact O-CB 3.31Å; R281-D285 WeakPolarHBondContact O-CB 3.19Å; R281-D285 PolarHBondContact O-N 2.57Å
282L98.7Very high98.1Very high0 Ų054.6 Ų54.60%030%0.298CS..Hα-helixtrans-59.8-41.1175.5-80.2160.7000112.7I124 F129 M132 T162 L166 A278 W279 Q280 A284 L286I124-L282 HydrophobicContact CD1-CB 4.24Å; I124-L282 HydrophobicContact CD1-CD2 4.47Å; I124-L282 HydrophobicContact CG2-CD1 3.62Å; I124-L282 HydrophobicContact CG2-CD2 3.93Å; I124-L282 HydrophobicContact CG2-CG 4.34Å; F129-L282 HydrophobicContact CB-CD1 4.49Å; F129-L282 HydrophobicContact CD2-CD1 4.46Å; M132-L282 HydrophobicContact CB-CD1 4.17Å; M132-L282 HydrophobicContact CB-CD2 3.95Å; M132-L282 HydrophobicContact CB-CG 3.8Å; M132-L282 HydrophobicContact CG-CD2 4.45Å; M132-L282 HydrophobicContact CG-CG 3.95Å; M132-L282 HydrophobicContact SD-CG 4.46Å; T162-L282 HydrophobicContact CG2-CD2 4.48Å; L166-L282 HydrophobicContact CD1-CD2 4.31Å; A278-L282 WeakPolarHBondContact O-CB 3.44Å; A278-L282 WeakPolarHBondContact O-CD1 3.4Å; A278-L282 WeakPolarHBondContact O-CG 3.38Å; A278-L282 PolarHBondContact O-N 3.02Å; W279-L282 HydrophobicContact CD2-CD1 4.25Å; W279-L282 HydrophobicContact CE3-CD1 3.84Å; W279-L282 HydrophobicContact CZ3-CD1 4.13Å; W279-L282 WeakPolarHBondContact O-CB 3.31Å; W279-L282 PolarHBondContact O-N 3.22Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-L282 PolarHBondContact O-N 3.32Å; L282-A284 VanDerWaalsContact C-N 3.31Å; L282-A284 PolarHBondContact O-N 3.49Å; L282-L286 HydrophobicContact CD2-CD1 3.71Å; L282-L286 WeakPolarHBondContact O-CB 3.35Å; L282-L286 PolarHBondContact O-N 3.25Å
283V98.3Very high98.1Very high48 Ų4853.8 Ų53.829%0.29129%0.287SS..Hα-helixtrans-64.7-37.6175.6173.40000111.5P113 Q114 L116 W279 Q280 R281P113-V283 HydrophobicContact CB-CG2 3.94Å; Q114-V283 WeakPolarHBondContact O-CG1 3.45Å; L116-V283 HydrophobicContact CB-CG2 4.06Å; L116-V283 HydrophobicContact CD1-CG2 4.48Å; L116-V283 HydrophobicContact CD2-CG2 4.47Å; W279-V283 WeakPolarHBondContact O-CG2 3.48Å; W279-V283 PolarHBondContact O-N 3.32Å; W279-V283 VanDerWaalsContact O-N 3.11Å; Q280-V283 PolarHBondContact O-N 2.82Å; R281-V283 VanDerWaalsContact C-N 3.33Å; R281-V283 PolarHBondContact O-N 3.01Å
284A98.1Very high98Very high69 Ų6945.7 Ų45.757%0.5725%0.25SC*.Hα-helixtrans-78.6-40.9-177.200000113.8Q280 R281 L282Q280-A284 PolarHBondContact O-N 2.84Å; Q280-A284 VanDerWaalsContact O-N 3.14Å; R281-A284 PolarHBondContact O-N 3.35Å; R281-A284 VanDerWaalsContact O-N 3.14Å; L282-A284 VanDerWaalsContact C-N 3.31Å; L282-A284 PolarHBondContact O-N 3.49Å
285D98.5Very high98Very high26 Ų2643.7 Ų43.714%0.13925%0.248CC..Hα-helixtrans-106.6-6.2-164-63.4-23.1000113.4L166 K169 R281L166-D285 HydrophobicContact CD2-CB 3.9Å; K169-D285 WeakPolarHBondContact CB-O 3.43Å; K169-D285 WeakPolarHBondContact CG-O 3.46Å; R281-D285 IonicContact CZ-OD2 3.16Å; R281-D285 VanDerWaalsContact CZ-OD2 3.25Å; R281-D285 IonicContact NE-OD2 3.54Å; R281-D285 PolarHBondContact NE-OD2 2.79Å; R281-D285 IonicContact NH2-OD2 2.79Å; R281-D285 PolarHBondContact NH2-OD2 3.16Å; R281-D285 VanDerWaalsContact O-CB 3.31Å; R281-D285 WeakPolarHBondContact O-CB 3.19Å; R281-D285 PolarHBondContact O-N 2.57Å
286L98.1Very high98Very high10 Ų1048.9 Ų48.95%0.05227%0.271CS..SBendtrans-96.4118.6178.9-151.1157.8000109.6I124 T162 L166 L282 F290 Y291I124-L286 HydrophobicContact CD1-CD1 4.44Å; I124-L286 HydrophobicContact CG1-CD1 4.07Å; T162-L286 HydrophobicContact CG2-CD1 3.65Å; L166-L286 HydrophobicContact CD2-CB 4.13Å; L166-L286 HydrophobicContact CD2-CG 4.32Å; L282-L286 HydrophobicContact CD2-CD1 3.71Å; L282-L286 WeakPolarHBondContact O-CB 3.35Å; L282-L286 PolarHBondContact O-N 3.25Å; L286-F290 HydrophobicContact CD1-CD1 4.16Å; L286-F290 HydrophobicContact CD1-CE1 4.12Å; L286-F290 HydrophobicContact CD2-CB 3.38Å; L286-F290 HydrophobicContact CD2-CD1 3.16Å; L286-F290 HydrophobicContact CD2-CD2 4.34Å; L286-F290 HydrophobicContact CD2-CE1 3.96Å; L286-F290 HydrophobicContact CD2-CG 3.39Å; L286-F290 HydrophobicContact CG-CD1 4.17Å; L286-F290 HydrophobicContact CG-CG 4.39Å; L286-Y291 HydrophobicContact CD2-CE1 4.09Å; L286-Y291 HydrophobicContact CD2-CE2 4.2Å
287P97.5Very high98Very high39 Ų3950.9 Ų50.925%0.25327%0.273SS..  trans-72.5145.7-174.129.2-34.6000112.3S289 F290P287-S289 PolarHBondContact O-N 3.23Å; P287-S289 VanDerWaalsContact O-N 3.09Å; P287-F290 HydrophobicContact CG-CB 4.25Å; P287-F290 VanDerWaalsContact O-CB 3.23Å; P287-F290 WeakPolarHBondContact O-CB 3.35Å; P287-F290 PolarHBondContact O-N 3.38Å
288E97.3Very high98Very high115 Ų11547 Ų4754%0.53726%0.255SS..Hα-helixtrans-55-34-179.3-172.761.2-161.900113.4K120 F290 Y291K120-E288 VanDerWaalsContact CE-OE1 3.31Å; K120-E288 WeakPolarHBondContact CE-OE1 3.46Å; K120-E288 IonicContact NZ-OE1 3.23Å; K120-E288 PolarHBondContact NZ-OE1 2.72Å; K120-E288 IonicContact NZ-OE2 3.59Å; K120-E288 PolarHBondContact NZ-OE2 2.97Å; E288-F290 PolarHBondContact O-N 2.96Å; E288-Y291 WeakPolarHBondContact O-CD2 3.28Å; E288-Y291 PolarHBondContact O-N 3.27Å
289S97.5Very high98Very high60 Ų6049 Ų4942%0.4227%0.269SS..Hα-helixtrans-60-30.6177.758.30000113.2P287 Y291 T292 Q293P287-S289 PolarHBondContact O-N 3.23Å; P287-S289 VanDerWaalsContact O-N 3.09Å; S289-Y291 VanDerWaalsContact C-N 3.33Å; S289-Y291 PolarHBondContact O-N 3.12Å; S289-T292 PolarHBondContact O-N 3.2Å; S289-Q293 VanDerWaalsContact O-CG 3.27Å; S289-Q293 WeakPolarHBondContact O-CG 3.4Å; S289-Q293 PolarHBondContact O-N 3.02Å
290F98.5Very high97.9Very high0 Ų049.7 Ų49.70%027%0.272CS..Hα-helixtrans-61.4-40.8-178.6174.3-94.1000112.3I123 T162 A165 L190 L286 P287 E288 T292 Q293 A294I123-F290 HydrophobicContact CG2-CD1 4.47Å; I123-F290 HydrophobicContact CG2-CE1 4.1Å; T162-F290 HydrophobicContact CG2-CZ 4.16Å; T162-F290 WeakPolarHBondContact OG1-CZ 3.38Å; A165-F290 HydrophobicContact CB-CD2 3.66Å; A165-F290 HydrophobicContact CB-CE2 4.15Å; A165-F290 HydrophobicContact CB-CG 4.49Å; L190-F290 HydrophobicContact CD2-CD2 3.85Å; L190-F290 HydrophobicContact CD2-CE2 4.32Å; L286-F290 HydrophobicContact CD1-CD1 4.16Å; L286-F290 HydrophobicContact CD1-CE1 4.12Å; L286-F290 HydrophobicContact CD2-CB 3.38Å; L286-F290 HydrophobicContact CD2-CD1 3.16Å; L286-F290 HydrophobicContact CD2-CD2 4.34Å; L286-F290 HydrophobicContact CD2-CE1 3.96Å; L286-F290 HydrophobicContact CD2-CG 3.39Å; L286-F290 HydrophobicContact CG-CD1 4.17Å; L286-F290 HydrophobicContact CG-CG 4.39Å; P287-F290 HydrophobicContact CG-CB 4.25Å; P287-F290 VanDerWaalsContact O-CB 3.23Å; P287-F290 WeakPolarHBondContact O-CB 3.35Å; P287-F290 PolarHBondContact O-N 3.38Å; E288-F290 PolarHBondContact O-N 2.96Å; F290-T292 PolarHBondContact O-N 3.41Å; F290-T292 VanDerWaalsContact O-N 3.12Å; F290-Q293 PolarHBondContact O-N 3.01Å; F290-Q293 VanDerWaalsContact O-N 3.12Å; F290-A294 HydrophobicContact CD1-CB 4.22Å; F290-A294 HydrophobicContact CD2-CB 3.93Å; F290-A294 HydrophobicContact CE1-CB 3.92Å; F290-A294 HydrophobicContact CE2-CB 3.57Å; F290-A294 HydrophobicContact CG-CB 4.24Å; F290-A294 HydrophobicContact CZ-CB 3.58Å; F290-A294 WeakPolarHBondContact O-CB 3.45Å; F290-A294 PolarHBondContact O-N 2.83Å
291Y98Very high97.9Very high13 Ų1347.3 Ų47.35%0.05127%0.27CS..Hα-helixtrans-62.9-24-177.2-57.5-69.7000112.5K120 I123 I124 L286 E288 S289 A295K120-Y291 HydrophobicContact CB-CD1 3.96Å; K120-Y291 HydrophobicContact CB-CE1 3.78Å; K120-Y291 HydrophobicContact CD-CD1 4.36Å; K120-Y291 HydrophobicContact CD-CD2 3.99Å; K120-Y291 HydrophobicContact CD-CE1 4.29Å; K120-Y291 HydrophobicContact CD-CE2 3.93Å; K120-Y291 HydrophobicContact CD-CG 4.22Å; K120-Y291 HydrophobicContact CG-CD1 3.84Å; K120-Y291 HydrophobicContact CG-CD2 4.27Å; K120-Y291 HydrophobicContact CG-CE1 4.02Å; K120-Y291 HydrophobicContact CG-CE2 4.45Å; K120-Y291 HydrophobicContact CG-CG 3.97Å; I123-Y291 HydrophobicContact CB-CD1 4.21Å; I123-Y291 HydrophobicContact CD1-CD1 4.33Å; I123-Y291 HydrophobicContact CG2-CD1 4.02Å; I124-Y291 HydrophobicContact CD1-CE1 4.03Å; I124-Y291 HydrophobicContact CG1-CE1 3.99Å; L286-Y291 HydrophobicContact CD2-CE1 4.09Å; L286-Y291 HydrophobicContact CD2-CE2 4.2Å; E288-Y291 WeakPolarHBondContact O-CD2 3.28Å; E288-Y291 PolarHBondContact O-N 3.27Å; S289-Y291 VanDerWaalsContact C-N 3.33Å; S289-Y291 PolarHBondContact O-N 3.12Å; Y291-A295 VanDerWaalsContact O-CB 3.28Å; Y291-A295 WeakPolarHBondContact O-CB 3.43Å
292T96.2Very high97.9Very high121 Ų12148.8 Ų48.874%0.74228%0.279SS*.Hα-helixtrans-89.6-40.3173.8-56.40000111.6S289 F290S289-T292 PolarHBondContact O-N 3.2Å; F290-T292 PolarHBondContact O-N 3.41Å; F290-T292 VanDerWaalsContact O-N 3.12Å
293Q96.9Very high97.8Very high73 Ų7348.8 Ų48.834%0.34128%0.279SS..Hα-helixtrans-69.7-41-177.1-72.2169.3-28.600113.3S189 L190 S289 F290S189-Q293 PolarHBondContact O-NE2 2.88Å; L190-Q293 HydrophobicContact CD2-CB 4.24Å; S289-Q293 VanDerWaalsContact O-CG 3.27Å; S289-Q293 WeakPolarHBondContact O-CG 3.4Å; S289-Q293 PolarHBondContact O-N 3.02Å; F290-Q293 PolarHBondContact O-N 3.01Å; F290-Q293 VanDerWaalsContact O-N 3.12Å
294A97.2Very high97.8Very high4 Ų447.8 Ų47.83%0.03327%0.274CS..SBendtrans-92.7-22.8-169.100000113.7F290 G317 R318F290-A294 HydrophobicContact CD1-CB 4.22Å; F290-A294 HydrophobicContact CD2-CB 3.93Å; F290-A294 HydrophobicContact CE1-CB 3.92Å; F290-A294 HydrophobicContact CE2-CB 3.57Å; F290-A294 HydrophobicContact CG-CB 4.24Å; F290-A294 HydrophobicContact CZ-CB 3.58Å; F290-A294 WeakPolarHBondContact O-CB 3.45Å; F290-A294 PolarHBondContact O-N 2.83Å; A294-G317 CarbonylContact O-C 3.56Å; A294-G317 WeakPolarHBondContact O-CA 3.5Å; A294-R318 PolarHBondContact O-N 3.39Å
295A97.4Very high97.8Very high26 Ų2649.9 Ų49.922%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-86.2129.4-169.100000113.1I123 Y291 R318I123-A295 HydrophobicContact CD1-CB 3.72Å; I123-A295 HydrophobicContact CG1-CB 3.77Å; I123-A295 HydrophobicContact CG2-CB 4.08Å; Y291-A295 VanDerWaalsContact O-CB 3.28Å; Y291-A295 WeakPolarHBondContact O-CB 3.43Å; A295-R318 CarbonylContact C-O 3.43Å; A295-R318 WeakPolarHBondContact CA-O 3.39Å
296K98.1Very high97.8Very high114 Ų11450.1 Ų50.150%0.49628%0.276SS..EExtended strand (participates in β ladder)trans-113.5107.3163.6179.760.3177.61770108.7I298 F306 R318 T319 L320K296-I298 HydrophobicContact CG-CG2 4.35Å; K296-F306 HydrophobicContact CG-CE1 3.79Å; K296-F306 HydrophobicContact CG-CZ 4.17Å; K296-R318 PolarHBondContact N-O 2.78Å; K296-T319 WeakPolarHBondContact O-CA 3.42Å; K296-L320 PolarHBondContact O-N 2.75Å
297E98.4Very high97.8Very high81 Ų8149.7 Ų49.738%0.37927%0.273SS..EExtended strand (participates in β ladder)trans-80134.9178.6-168.1169.4135.200111.1W36 R119 L320W36-E297 HydrophobicContact CH2-CG 4.39Å; W36-E297 HydrophobicContact CZ3-CG 3.94Å; R119-E297 IonicContact CZ-OE2 3.6Å; R119-E297 IonicContact NE-OE2 2.8Å; R119-E297 PolarHBondContact NE-OE2 3.12Å; R119-E297 VanDerWaalsContact NE-OE2 3.17Å; R119-E297 IonicContact NH2-OE2 3.77Å; R119-E297 PolarHBondContact NH2-OE2 3.38Å; E297-L320 CarbonylContact C-O 3.55Å; E297-L320 WeakPolarHBondContact CA-O 3.45Å; E297-L320 HydrophobicContact CB-CD2 4.44Å; E297-L320 HydrophobicContact CG-CD2 4.25Å
298I98.5Very high97.8Very high5 Ų553.3 Ų53.33%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-140.6162.9179.572.2166.5000110.2L39 K296 E302 A303 F306 T319 L320 V321 K322L39-I298 HydrophobicContact CD1-CD1 4.04Å; K296-I298 HydrophobicContact CG-CG2 4.35Å; I298-E302 WeakPolarHBondContact CA-OE2 3.49Å; I298-E302 HydrophobicContact CB-CB 4.02Å; I298-E302 HydrophobicContact CD1-CB 4.19Å; I298-A303 HydrophobicContact CD1-CB 4.49Å; I298-F306 HydrophobicContact CB-CD2 4.45Å; I298-F306 HydrophobicContact CB-CE2 4.36Å; I298-F306 HydrophobicContact CD1-CB 3.84Å; I298-F306 HydrophobicContact CD1-CD1 4.46Å; I298-F306 HydrophobicContact CD1-CD2 3.88Å; I298-F306 HydrophobicContact CD1-CG 3.79Å; I298-F306 HydrophobicContact CG2-CD1 4.05Å; I298-F306 HydrophobicContact CG2-CD2 3.81Å; I298-F306 HydrophobicContact CG2-CE1 3.73Å; I298-F306 HydrophobicContact CG2-CE2 3.46Å; I298-F306 VanDerWaalsContact CG2-CE2 3.46Å; I298-F306 HydrophobicContact CG2-CG 4.09Å; I298-F306 HydrophobicContact CG2-CZ 3.41Å; I298-F306 VanDerWaalsContact CG2-CZ 3.41Å; I298-T319 HydrophobicContact CD1-CG2 3.55Å; I298-T319 HydrophobicContact CG1-CG2 3.89Å; I298-T319 HydrophobicContact CG2-CG2 4.17Å; I298-L320 PolarHBondContact N-O 2.67Å; I298-V321 HydrophobicContact CD1-CG2 4.06Å; I298-V321 HydrophobicContact CG1-CB 4.46Å; I298-V321 HydrophobicContact CG1-CG2 3.93Å; I298-V321 WeakPolarHBondContact O-CA 3.14Å; I298-K322 PolarHBondContact O-N 3.16Å
299S98.3Very high97.8Very high42 Ų4248.5 Ų48.529%0.29427%0.267SS..EExtended strand (participates in β ladder)trans-86.6166.7169.877.30000112.6S301 E302S299-S301 PolarHBondContact O-N 3.07Å; S299-S301 PolarHBondContact OG-N 3.32Å; S299-S301 PolarHBondContact OG-OG 3.12Å; S299-E302 PolarHBondContact N-OE2 3.33Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.1Å; S299-E302 PolarHBondContact OG-OE2 2.71Å
300L98Very high97.8Very high14 Ų1447 Ų477%0.07325%0.254CS..G310 helixtrans-56.8-35.6174.4-173.162.8000113.1L4 V17 L98 E302 A303 V321L4-L300 HydrophobicContact CB-CD1 3.92Å; L4-L300 HydrophobicContact CB-CG 4.42Å; V17-L300 HydrophobicContact CG1-CD2 4.11Å; V17-L300 HydrophobicContact CG2-CD2 4.4Å; V17-L300 HydrophobicContact CG2-CG 4Å; L98-L300 HydrophobicContact CB-CD1 3.81Å; L98-L300 HydrophobicContact CD2-CD1 4.02Å; L98-L300 WeakPolarHBondContact O-CD1 3.43Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 3.38Å; L300-A303 WeakPolarHBondContact O-CB 3.47Å; L300-A303 PolarHBondContact O-N 2.94Å; L300-V321 HydrophobicContact CD1-CG1 4.44Å
301S97.6Very high97.7Very high82 Ų8248.4 Ų48.457%0.57326%0.261SS*.G310 helixtrans-72.2-20.8179.157.40000113.8S299 A303S299-S301 PolarHBondContact O-N 3.07Å; S299-S301 PolarHBondContact OG-N 3.32Å; S299-S301 PolarHBondContact OG-OG 3.12Å; S301-A303 VanDerWaalsContact C-N 3.34Å
302E98.1Very high97.6Very high82 Ų8251.9 Ų51.938%0.38328%0.281SS..G310 helixtrans-83.5-13176.8-67.9177.1105.500112.5I298 S299 L300 N305 F306I298-E302 WeakPolarHBondContact CA-OE2 3.49Å; I298-E302 HydrophobicContact CB-CB 4.02Å; I298-E302 HydrophobicContact CD1-CB 4.19Å; S299-E302 PolarHBondContact N-OE2 3.33Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.1Å; S299-E302 PolarHBondContact OG-OE2 2.71Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 3.38Å; E302-N305 PolarHBondContact O-N 3.21Å; E302-N305 VanDerWaalsContact O-N 3.16Å; E302-F306 HydrophobicContact CB-CD2 4.18Å; E302-F306 HydrophobicContact CB-CE2 4.41Å; E302-F306 PolarHBondContact O-N 3.42Å; E302-F306 VanDerWaalsContact O-N 3.1Å
303A98.4Very high97.5Very high0 Ų049.6 Ų49.60%026%0.264CS..Hα-helixtrans-56.8-41.5-173.300000114.6L4 L39 I298 L300 S301 N305 F306 A307L4-A303 HydrophobicContact CD2-CB 4.05Å; L39-A303 HydrophobicContact CD1-CB 4.18Å; L39-A303 HydrophobicContact CD2-CB 4.36Å; I298-A303 HydrophobicContact CD1-CB 4.49Å; L300-A303 WeakPolarHBondContact O-CB 3.47Å; L300-A303 PolarHBondContact O-N 2.94Å; S301-A303 VanDerWaalsContact C-N 3.34Å; A303-N305 PolarHBondContact O-N 3.05Å; A303-F306 PolarHBondContact O-N 2.81Å; A303-A307 WeakPolarHBondContact O-CB 3.45Å; A303-A307 PolarHBondContact O-N 3.42Å
304P97.9Very high97.4Very high28 Ų2852.2 Ų52.218%0.18228%0.276CS..Hα-helixtrans-58.8-45174.9-26.736.8000113.8L4 A15 I47 F306 A307 E308L4-P304 HydrophobicContact CD1-CG 3.92Å; A15-P304 HydrophobicContact CB-CB 4.41Å; A15-P304 HydrophobicContact CB-CG 4.1Å; I47-P304 HydrophobicContact CG2-CB 4.39Å; P304-F306 VanDerWaalsContact C-N 3.35Å; P304-F306 PolarHBondContact O-N 3.29Å; P304-A307 WeakPolarHBondContact O-CB 3.37Å; P304-A307 PolarHBondContact O-N 3.4Å; P304-E308 PolarHBondContact O-N 2.67Å; P304-E308 VanDerWaalsContact O-N 3.12Å
305N98Very high97.3Very high112 Ų11253.9 Ų53.960%0.59928%0.284SS*.Hα-helixtrans-65.4-40.7179.9-66.7-14.7000111.2E302 A303 E308 A309E302-N305 PolarHBondContact O-N 3.21Å; E302-N305 VanDerWaalsContact O-N 3.16Å; A303-N305 PolarHBondContact O-N 3.05Å; N305-E308 PolarHBondContact O-N 2.9Å; N305-A309 PolarHBondContact O-N 3.26Å; N305-A309 VanDerWaalsContact O-N 3.08Å
306F98.3Very high97.2Very high32 Ų3256.3 Ų56.314%0.1429%0.291CS..Hα-helixtrans-71.1-32.7177-88.2-99.4000112.9L39 K296 I298 E302 A303 P304 A309 I310 I315 T319L39-F306 HydrophobicContact CD1-CB 3.75Å; K296-F306 HydrophobicContact CG-CE1 3.79Å; K296-F306 HydrophobicContact CG-CZ 4.17Å; I298-F306 HydrophobicContact CB-CD2 4.45Å; I298-F306 HydrophobicContact CB-CE2 4.36Å; I298-F306 HydrophobicContact CD1-CB 3.84Å; I298-F306 HydrophobicContact CD1-CD1 4.46Å; I298-F306 HydrophobicContact CD1-CD2 3.88Å; I298-F306 HydrophobicContact CD1-CG 3.79Å; I298-F306 HydrophobicContact CG2-CD1 4.05Å; I298-F306 HydrophobicContact CG2-CD2 3.81Å; I298-F306 HydrophobicContact CG2-CE1 3.73Å; I298-F306 HydrophobicContact CG2-CE2 3.46Å; I298-F306 VanDerWaalsContact CG2-CE2 3.46Å; I298-F306 HydrophobicContact CG2-CG 4.09Å; I298-F306 HydrophobicContact CG2-CZ 3.41Å; I298-F306 VanDerWaalsContact CG2-CZ 3.41Å; E302-F306 HydrophobicContact CB-CD2 4.18Å; E302-F306 HydrophobicContact CB-CE2 4.41Å; E302-F306 PolarHBondContact O-N 3.42Å; E302-F306 VanDerWaalsContact O-N 3.1Å; A303-F306 PolarHBondContact O-N 2.81Å; P304-F306 VanDerWaalsContact C-N 3.35Å; P304-F306 PolarHBondContact O-N 3.29Å; F306-A309 PolarHBondContact O-N 3.45Å; F306-I310 VanDerWaalsContact O-CG1 3.27Å; F306-I310 WeakPolarHBondContact O-CG1 3.43Å; F306-I310 PolarHBondContact O-N 2.97Å; F306-I315 HydrophobicContact CD1-CD1 3.82Å; F306-I315 HydrophobicContact CD1-CG1 4.34Å; F306-I315 HydrophobicContact CE1-CD1 3.85Å; F306-T319 HydrophobicContact CB-CG2 4.25Å; F306-T319 HydrophobicContact CD1-CG2 3.78Å; F306-T319 HydrophobicContact CE1-CG2 4.48Å; F306-T319 HydrophobicContact CG-CG2 4.19Å
307A98.2Very high97.2Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-60.2-45.9171.800000111.2A44 I47 T48 A303 P304 A309 I310 I311A44-A307 HydrophobicContact CB-CB 4.13Å; I47-A307 HydrophobicContact CB-CB 3.78Å; I47-A307 HydrophobicContact CD1-CB 4.04Å; I47-A307 HydrophobicContact CG2-CB 3.63Å; T48-A307 HydrophobicContact CG2-CB 4.14Å; A303-A307 WeakPolarHBondContact O-CB 3.45Å; A303-A307 PolarHBondContact O-N 3.42Å; P304-A307 WeakPolarHBondContact O-CB 3.37Å; P304-A307 PolarHBondContact O-N 3.4Å; A307-A309 PolarHBondContact O-N 3.01Å; A307-I310 PolarHBondContact O-N 3.12Å; A307-I311 WeakPolarHBondContact O-CG1 3.15Å; A307-I311 PolarHBondContact O-N 2.91Å; A307-I311 VanDerWaalsContact O-N 3.11Å
308E97.5Very high97.2Very high115 Ų11547.6 Ų47.654%0.53725%0.254SS..Hα-helixtrans-59.8-46.1173.7-69.7-171.9171.600112T48 P304 N305 I310 I311 N312T48-E308 HydrophobicContact CG2-CG 3.97Å; P304-E308 PolarHBondContact O-N 2.67Å; P304-E308 VanDerWaalsContact O-N 3.12Å; N305-E308 PolarHBondContact O-N 2.9Å; E308-I310 VanDerWaalsContact C-N 3.31Å; E308-I310 PolarHBondContact O-N 3.27Å; E308-I311 PolarHBondContact O-N 2.96Å; E308-N312 WeakPolarHBondContact O-CB 3.49Å; E308-N312 VanDerWaalsContact O-CG 3.28Å; E308-N312 PolarHBondContact O-N 3.42Å; E308-N312 PolarHBondContact O-ND2 3.19Å
309A97.7Very high97.2Very high14 Ų1447.5 Ų47.512%0.11625%0.253CS..Hα-helixtrans-61.8-36.5178.600000112.7N305 F306 A307 N312 N313 Q314 I315N305-A309 PolarHBondContact O-N 3.26Å; N305-A309 VanDerWaalsContact O-N 3.08Å; F306-A309 PolarHBondContact O-N 3.45Å; A307-A309 PolarHBondContact O-N 3.01Å; A309-N312 PolarHBondContact O-N 3.16Å; A309-N313 PolarHBondContact O-N 2.87Å; A309-Q314 HydrophobicContact CB-CB 4.23Å; A309-Q314 WeakPolarHBondContact O-CB 3.36Å; A309-Q314 PolarHBondContact O-N 3.35Å; A309-I315 HydrophobicContact CB-CD1 3.7Å; A309-I315 HydrophobicContact CB-CG1 3.64Å
310I97.3Very high97.2Very high28 Ų2845.5 Ų45.514%0.14424%0.239CC..Hα-helixtrans-63.7-49.7174.5-72.6164.9000110.4L39 Y41 A44 F306 A307 E308 N312 N313 I315L39-I310 HydrophobicContact CB-CD1 3.69Å; L39-I310 HydrophobicContact CD1-CD1 4.38Å; Y41-I310 HydrophobicContact CD2-CG2 4.08Å; A44-I310 HydrophobicContact CB-CB 3.79Å; A44-I310 HydrophobicContact CB-CD1 4.31Å; A44-I310 HydrophobicContact CB-CG2 3.59Å; F306-I310 VanDerWaalsContact O-CG1 3.27Å; F306-I310 WeakPolarHBondContact O-CG1 3.43Å; F306-I310 PolarHBondContact O-N 2.97Å; A307-I310 PolarHBondContact O-N 3.12Å; E308-I310 VanDerWaalsContact C-N 3.31Å; E308-I310 PolarHBondContact O-N 3.27Å; I310-N312 VanDerWaalsContact C-N 3.25Å; I310-N312 PolarHBondContact O-N 3.41Å; I310-N313 PolarHBondContact O-N 3.35Å; I310-I315 HydrophobicContact CG1-CB 4.15Å; I310-I315 HydrophobicContact CG1-CG1 3.97Å
311I95.1Very high97.2Very high30 Ų3044.9 Ų44.915%0.15424%0.236CC..Hα-helixtrans-63.8-34179.9-63.4-54.1000111.8Y41 A44 L45 T48 K50 A307 E308 N313Y41-I311 HydrophobicContact CD2-CD1 4.25Å; Y41-I311 HydrophobicContact CE2-CD1 3.87Å; A44-I311 HydrophobicContact CB-CD1 3.78Å; A44-I311 HydrophobicContact CB-CG1 3.9Å; L45-I311 HydrophobicContact CD2-CD1 3.63Å; L45-I311 HydrophobicContact CG-CD1 3.86Å; T48-I311 HydrophobicContact CG2-CG1 4.31Å; K50-I311 HydrophobicContact CD-CG2 3.76Å; A307-I311 WeakPolarHBondContact O-CG1 3.15Å; A307-I311 PolarHBondContact O-N 2.91Å; A307-I311 VanDerWaalsContact O-N 3.11Å; E308-I311 PolarHBondContact O-N 2.96Å; I311-N313 PolarHBondContact O-N 3Å
312N95.6Very high97.3Very high87 Ų8745.1 Ų45.147%0.46523%0.227SC..THydrogen-bonded Turntrans-81.87.9177.5-64.6-28.1000113.2E308 A309 I310 Q314E308-N312 WeakPolarHBondContact O-CB 3.49Å; E308-N312 VanDerWaalsContact O-CG 3.28Å; E308-N312 PolarHBondContact O-N 3.42Å; E308-N312 PolarHBondContact O-ND2 3.19Å; A309-N312 PolarHBondContact O-N 3.16Å; I310-N312 VanDerWaalsContact C-N 3.25Å; I310-N312 PolarHBondContact O-N 3.41Å; N312-Q314 VanDerWaalsContact C-N 3.29Å; N312-Q314 HydrophobicContact CB-CG 4.08Å; N312-Q314 PolarHBondContact O-N 3.23Å
313N94.1Very high97.2Very high72 Ų7242.1 Ų42.139%0.38521%0.214SC..THydrogen-bonded Turntrans57.138.5179.8-171.641.9000113.3R180 A309 I310 I311R180-N313 WeakPolarHBondContact CD-O 3.34Å; R180-N313 PolarHBondContact NH1-O 2.92Å; A309-N313 PolarHBondContact O-N 2.87Å; I310-N313 PolarHBondContact O-N 3.35Å; I311-N313 PolarHBondContact O-N 3Å
314Q95.9Very high96.6Very high128 Ų12848.5 Ų48.560%0.59825%0.248SC*.  trans-102.1-11.7-177.7-66.9171.5-18.400113.2R180 A309 N312R180-Q314 VanDerWaalsContact NH1-C 3.33Å; R180-Q314 PolarHBondContact NH1-O 3.49Å; A309-Q314 HydrophobicContact CB-CB 4.23Å; A309-Q314 WeakPolarHBondContact O-CB 3.36Å; A309-Q314 PolarHBondContact O-N 3.35Å; N312-Q314 VanDerWaalsContact C-N 3.29Å; N312-Q314 HydrophobicContact CB-CG 4.08Å; N312-Q314 PolarHBondContact O-N 3.23Å
315I95.4Very high96.5Very high39 Ų3949.6 Ų49.620%0.225%0.252CS..  trans-99.3147.6179.3-58.2-57.3000111.2R180 F306 A309 I310R180-I315 PolarHBondContact NH1-O 3.29Å; R180-I315 PolarHBondContact NH2-O 2.92Å; F306-I315 HydrophobicContact CD1-CD1 3.82Å; F306-I315 HydrophobicContact CD1-CG1 4.34Å; F306-I315 HydrophobicContact CE1-CD1 3.85Å; A309-I315 HydrophobicContact CB-CD1 3.7Å; A309-I315 HydrophobicContact CB-CG1 3.64Å; I310-I315 HydrophobicContact CG1-CB 4.15Å; I310-I315 HydrophobicContact CG1-CG1 3.97Å
316Q95.3Very high96.5Very high77 Ų7746.3 Ų46.336%0.3623%0.233SC..  trans-120.2152.9166.870.2-177.843.700109.8S156 T183 Y186S156-Q316 CarbonylContact O-C 3.22Å; S156-Q316 VanDerWaalsContact O-CA 3.28Å; S156-Q316 WeakPolarHBondContact O-CA 3.23Å; T183-Q316 HydrophobicContact CG2-CB 4.46Å; Y186-Q316 HydrophobicContact CD1-CB 4.48Å; Y186-Q316 HydrophobicContact CE1-CB 4.37Å
317G97.1Very high96.3Very high8 Ų847.1 Ų47.18%0.08224%0.238CC..SBendtrans73.7-138.9179.800000113.8S156 G158 Y186 A294S156-G317 PolarHBondContact O-N 2.96Å; G158-G317 VanDerWaalsContact CA-O 3.22Å; G158-G317 WeakPolarHBondContact CA-O 3.26Å; G158-G317 PolarHBondContact N-O 3.29Å; Y186-G317 WeakPolarHBondContact OH-CA 3.45Å; A294-G317 CarbonylContact O-C 3.56Å; A294-G317 WeakPolarHBondContact O-CA 3.5Å
318R98.4Very high96.2Very high5 Ų549.8 Ų49.82%0.01925%0.252CS..EExtended strand (participates in β ladder)trans-123126-170-66.3-68-63143.2-0.5110S38 N40 D64 I123 I124 A127 G158 A294 A295 K296S38-R318 PolarHBondContact OG-NH2 3.36Å; N40-R318 PolarHBondContact OD1-NH1 3.25Å; N40-R318 PolarHBondContact OD1-NH2 3.06Å; D64-R318 IonicContact OD2-NH2 2.68Å; I123-R318 VanDerWaalsContact O-CG 3.26Å; I123-R318 WeakPolarHBondContact O-CG 3.29Å; I123-R318 PolarHBondContact O-NE 3.31Å; I124-R318 PolarHBondContact O-NE 3.26Å; I124-R318 PolarHBondContact O-NH2 2.88Å; I124-R318 VanDerWaalsContact O-NH2 3.07Å; A127-R318 VanDerWaalsContact CB-CZ 3.49Å; G158-R318 VanDerWaalsContact CA-CD 3.43Å; A294-R318 PolarHBondContact O-N 3.39Å; A295-R318 CarbonylContact C-O 3.43Å; A295-R318 WeakPolarHBondContact CA-O 3.39Å; K296-R318 PolarHBondContact N-O 2.78Å
319T98.7Very high96.2Very high3 Ų345.8 Ų45.82%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-90.2110.9174.3-53.40000109.1S38 L39 K296 I298 F306S38-T319 VanDerWaalsContact CA-O 3.3Å; S38-T319 WeakPolarHBondContact CA-O 3.47Å; S38-T319 WeakPolarHBondContact CB-O 3.37Å; L39-T319 HydrophobicContact CB-CG2 4.21Å; L39-T319 HydrophobicContact CD1-CG2 4.06Å; L39-T319 HydrophobicContact CG-CG2 4.22Å; L39-T319 PolarHBondContact N-O 3.18Å; K296-T319 WeakPolarHBondContact O-CA 3.42Å; I298-T319 HydrophobicContact CD1-CG2 3.55Å; I298-T319 HydrophobicContact CG1-CG2 3.89Å; I298-T319 HydrophobicContact CG2-CG2 4.17Å; F306-T319 HydrophobicContact CB-CG2 4.25Å; F306-T319 HydrophobicContact CD1-CG2 3.78Å; F306-T319 HydrophobicContact CE1-CG2 4.48Å; F306-T319 HydrophobicContact CG-CG2 4.19Å
320L98.8Very high96.1Very high0 Ų047.9 Ų47.90%024%0.243CC..EExtended strand (participates in β ladder)trans-94.9129.1178.1174.970.6000108.8W36 R119 M122 I123 K296 E297 I298W36-L320 HydrophobicContact CB-CD1 4.4Å; W36-L320 HydrophobicContact CD2-CD1 4.3Å; W36-L320 HydrophobicContact CE3-CD1 3.63Å; W36-L320 HydrophobicContact CE3-CD2 3.7Å; W36-L320 HydrophobicContact CE3-CG 3.57Å; W36-L320 HydrophobicContact CH2-CD2 4.29Å; W36-L320 HydrophobicContact CZ3-CD1 4.3Å; W36-L320 HydrophobicContact CZ3-CD2 3.5Å; W36-L320 VanDerWaalsContact CZ3-CD2 3.5Å; W36-L320 HydrophobicContact CZ3-CG 3.74Å; R119-L320 HydrophobicContact CG-CD2 3.73Å; M122-L320 HydrophobicContact CB-CD1 3.55Å; I123-L320 HydrophobicContact CD1-CD2 4.24Å; I123-L320 HydrophobicContact CG1-CB 4.41Å; I123-L320 HydrophobicContact CG1-CD1 4.12Å; I123-L320 HydrophobicContact CG1-CD2 3.88Å; I123-L320 HydrophobicContact CG1-CG 4.37Å; K296-L320 PolarHBondContact O-N 2.75Å; E297-L320 CarbonylContact C-O 3.55Å; E297-L320 WeakPolarHBondContact CA-O 3.45Å; E297-L320 HydrophobicContact CB-CD2 4.44Å; E297-L320 HydrophobicContact CG-CD2 4.25Å; I298-L320 PolarHBondContact N-O 2.67Å
321V98.8Very high96Very high0 Ų049.3 Ų49.30%025%0.25CC..EExtended strand (participates in β ladder)trans-105.1116.4178.6-173.90000108.8W36 S37 L39 L98 I298 L300 V323W36-V321 WeakPolarHBondContact CA-O 3.29Å; S37-V321 PolarHBondContact N-O 2.8Å; S37-V321 PolarHBondContact O-N 2.69Å; L39-V321 HydrophobicContact CD2-CG2 4.31Å; L39-V321 HydrophobicContact CG-CG2 3.93Å; L98-V321 HydrophobicContact CD2-CB 4.08Å; L98-V321 HydrophobicContact CD2-CG1 3.91Å; L98-V321 HydrophobicContact CD2-CG2 3.89Å; I298-V321 HydrophobicContact CD1-CG2 4.06Å; I298-V321 HydrophobicContact CG1-CB 4.46Å; I298-V321 HydrophobicContact CG1-CG2 3.93Å; I298-V321 WeakPolarHBondContact O-CA 3.14Å; L300-V321 HydrophobicContact CD1-CG1 4.44Å; V321-V323 HydrophobicContact CG1-CG2 4.35Å
322K98.5Very high96Very high88 Ų8850.8 Ų50.838%0.38326%0.257SS..EExtended strand (participates in β ladder)trans-78.5117.7166.6-170.6173.7176.8179.50108.6W36 I298 N324W36-K322 HydrophobicContact CE3-CB 4.01Å; W36-K322 HydrophobicContact CE3-CG 4.34Å; W36-K322 HydrophobicContact CH2-CB 3.99Å; W36-K322 HydrophobicContact CH2-CD 3.95Å; W36-K322 HydrophobicContact CH2-CG 3.88Å; W36-K322 HydrophobicContact CZ2-CG 4.39Å; W36-K322 HydrophobicContact CZ3-CB 3.49Å; W36-K322 VanDerWaalsContact CZ3-CB 3.49Å; W36-K322 HydrophobicContact CZ3-CD 4.34Å; W36-K322 HydrophobicContact CZ3-CG 3.85Å; I298-K322 PolarHBondContact O-N 3.16Å; K322-N324 WeakPolarHBondContact CE-O 3.3Å; K322-N324 WeakPolarHBondContact CE-OXT 3.31Å; K322-N324 WeakPolarHBondContact CG-O 3.46Å
323V97Very high96.1Very high18 Ų1847.8 Ų47.811%0.10924%0.24CC..  trans-93.7-43.5-179.7-1790000110.3V34 H35 A99 E100 V321V34-V323 HydrophobicContact CG1-CB 4.26Å; V34-V323 HydrophobicContact CG1-CG1 4.41Å; V34-V323 HydrophobicContact CG1-CG2 3.98Å; H35-V323 PolarHBondContact O-N 2.76Å; A99-V323 VanDerWaalsContact C-CG1 3.45Å; A99-V323 WeakPolarHBondContact O-CG1 3.46Å; E100-V323 HydrophobicContact CB-CG1 4.4Å; E100-V323 HydrophobicContact CG-CG1 4.11Å; V321-V323 HydrophobicContact CG1-CG2 4.35Å
324N84.9Confident96.2Very high135 Ų13545.5 Ų45.572%0.72223%0.226SC*.  trans-131.30175.5-1668.1000110.5H35 K322H35-N324 PolarHBondContact O-N 2.73Å; K322-N324 WeakPolarHBondContact CE-O 3.3Å; K322-N324 WeakPolarHBondContact CE-OXT 3.31Å; K322-N324 WeakPolarHBondContact CG-O 3.46Å

Retrieved 324 of 324 residues in 111.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).