A0A3Q0KJN4_SCHMA Loading...

RNA exonuclease 4

Exoribonuclease involved in ribosome biosynthesis. Involved in the processing of ITS1, the internal transcribed spacer localized between the 18S and 5.8S rRNAs.

AlphaFold DB , UniProt , Accession A0A3Q0KJN4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low60.4Low243 Ų243119.8 Ų119.8100%1.19765%0.646SS**  0111.70-67.7175.6-16500107.8S3M1-S3 PolarHBondContact O-N 2.92Å
2V40.8Very low63.2Low143 Ų143119.3 Ų119.387%0.86765%0.65SS**  trans-72.9101.6171.9-176.70000105.8S4V2-S4 VanDerWaalsContact C-N 3.35Å; V2-S4 PolarHBondContact O-N 3.06Å
3S46.4Very low65.6Low99 Ų99112.4 Ų112.469%0.69262%0.616SS**  trans-56.6106.6164.2176.80000105.7M1 K5M1-S3 PolarHBondContact O-N 2.92Å; S3-K5 PolarHBondContact O-N 3.11Å
4S51.6Low67.8Low109 Ų109108.1 Ų108.176%0.76260%0.596SS**  trans-63.891.1175.1550000106.3V2 C6V2-S4 VanDerWaalsContact C-N 3.35Å; V2-S4 PolarHBondContact O-N 3.06Å; S4-C6 PolarHBondContact O-N 2.75Å; S4-C6 VanDerWaalsContact O-N 3.11Å
5K57.8Low69.6Low189 Ų189102 Ų10282%0.82256%0.562SS**PPolyproline II helixtrans-54.2124.1176.4-79.5-175.6174.9-179.30106.7S3S3-K5 PolarHBondContact O-N 3.11Å
6C54Low71.1Confident64 Ų64103.2 Ų103.243%0.43256%0.562SS.*PPolyproline II helixtrans-52.9125.7173.1-162.70000107.3S4 L177 G181S4-C6 PolarHBondContact O-N 2.75Å; S4-C6 VanDerWaalsContact O-N 3.11Å; C6-L177 WeakPolarHBondContact SG-CD1 3.29Å; C6-G181 PolarHBondContact SG-O 3Å
7P60Low72.5Confident33 Ų3397.3 Ų97.321%0.21453%0.53CS..PPolyproline II helixtrans-56147.4176.422-30.4000109.2K9P7-K9 PolarHBondContact O-N 3.2Å
8P64.1Low73.5Confident116 Ų11695.4 Ų95.475%0.75352%0.516SS*.PPolyproline II helixtrans-54.4134.1177.822.1-31.7000109.6K10P8-K10 PolarHBondContact O-N 3.19Å
9K69.2Low73.9Confident146 Ų14691.8 Ų91.864%0.63550%0.498SS*.PPolyproline II helixtrans-53.9126.5178.161.6178.1-178.1175.40109.3P7 F180P7-K9 PolarHBondContact O-N 3.2Å; K9-F180 WeakPolarHBondContact CB-O 3.35Å
10K84.2Confident74Confident96 Ų9694.1 Ų94.142%0.41751%0.509SS..SBendtrans-80.9-35.6177.6-74.9-174.8169.6-1770111.6P8 L161 A162 L179P8-K10 PolarHBondContact O-N 3.19Å; K10-L161 PolarHBondContact NZ-O 3.25Å; K10-A162 PolarHBondContact NZ-O 2.91Å; K10-L179 PolarHBondContact N-O 3.29Å
11Y95Very high73.5Confident80 Ų8094.7 Ų94.731%0.31452%0.521SS..SBendtrans-133.2149.9-175.7-57.1-81.4000110.5L161 L179 L204Y11-L161 HydrophobicContact CE2-CB 4.01Å; Y11-L179 HydrophobicContact CD2-CD2 3.98Å; Y11-L179 HydrophobicContact CE2-CD2 3.99Å; Y11-L179 PolarHBondContact N-O 3.28Å; Y11-L204 HydrophobicContact CD1-CD1 3.84Å; Y11-L204 HydrophobicContact CD2-CD2 3.86Å; Y11-L204 HydrophobicContact CE2-CD2 4.44Å; Y11-L204 HydrophobicContact CG-CD1 3.85Å; Y11-L204 HydrophobicContact CG-CD2 3.95Å
12T94.1Very high74.4Confident113 Ų11384.9 Ų84.969%0.69348%0.475SS*.  trans-70.8129.4168.3-61.20000108.7
13C95.1Very high75.7Confident30 Ų3085.4 Ų85.420%0.20347%0.466CS..  trans-70.5126.9175.7-167.10000109.6I15 I17 F180 I182C13-I15 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.42Å; C13-I15 PolarHBondContact SG-O 2.98Å; C13-I17 WeakPolarHBondContact SG-CD1 3.2Å; C13-F180 HydrophobicContact CB-CB 4.1Å; C13-F180 HydrophobicContact CB-CD1 3.92Å; C13-F180 HydrophobicContact CB-CG 3.97Å; C13-I182 HydrophobicContact CB-CD1 3.85Å
14P95.3Very high77Confident52 Ų5283.2 Ų83.234%0.33845%0.445SS..SBendtrans-74.7-18.4-174.929.3-35.6000113.6A200 R203P14-A200 HydrophobicContact CG-CB 4.24Å; P14-R203 HydrophobicContact CB-CB 4.43Å; P14-R203 HydrophobicContact CG-CB 3.86Å
15I94.9Very high78.2Confident17 Ų1784 Ų849%0.08744%0.436CS..SBendtrans-138.2161.9-179.561.9177.7000111.5C13 I17 E76 R196 M199 A200C13-I15 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.42Å; C13-I15 PolarHBondContact SG-O 2.98Å; I15-I17 PolarHBondContact O-N 3.34Å; I15-E76 WeakPolarHBondContact CG2-O 3Å; I15-R196 HydrophobicContact CD1-CB 4.21Å; I15-R196 HydrophobicContact CD1-CG 4.47Å; I15-R196 WeakPolarHBondContact CD1-O 3.41Å; I15-M199 HydrophobicContact CD1-CB 3.95Å; I15-M199 HydrophobicContact CD1-CG 4.01Å; I15-A200 HydrophobicContact CD1-CB 4.19Å; I15-A200 HydrophobicContact CG1-CB 3.82Å
16Q94.3Very high79.4Confident121 Ų12182.4 Ų82.457%0.56543%0.432SS*.  trans-76.6104.4174.4-178.1137.4-7.400110.9R196Q16-R196 VanDerWaalsContact O-CD 3.32Å; Q16-R196 WeakPolarHBondContact O-CD 3.48Å
17I94.5Very high80.9Confident3 Ų381.2 Ų81.22%0.01542%0.421CS..  trans-72.8-54.1-179.4-70.2175.8000112C13 I15 C19 T176 F180 I182 I184 E193 R196 A197 A200C13-I17 WeakPolarHBondContact SG-CD1 3.2Å; I15-I17 PolarHBondContact O-N 3.34Å; I17-C19 PolarHBondContact O-N 3.02Å; I17-T176 HydrophobicContact CD1-CG2 3.74Å; I17-F180 HydrophobicContact CD1-CD2 4.03Å; I17-F180 HydrophobicContact CD1-CE2 4.46Å; I17-I182 HydrophobicContact CD1-CD1 4.12Å; I17-I182 HydrophobicContact CG2-CG2 4.39Å; I17-I184 HydrophobicContact CG2-CG2 3.66Å; I17-E193 HydrophobicContact CG2-CG 3.86Å; I17-R196 WeakPolarHBondContact O-CD 3.36Å; I17-A197 HydrophobicContact CD1-CB 4.2Å; I17-A197 HydrophobicContact CG2-CB 4.07Å; I17-A200 HydrophobicContact CD1-CB 3.84Å; I17-A200 HydrophobicContact CG1-CB 4.07Å
18K90.8Very high81.9Confident63 Ų6383.2 Ų83.227%0.27443%0.43SS..SBendtrans-59123.1-175-75.2-81.3150.8-153.90110.2L20 I182 S183 E193K18-L20 HydrophobicContact CB-CD2 3.96Å; K18-L20 HydrophobicContact CB-CG 4.45Å; K18-L20 PolarHBondContact O-N 2.98Å; K18-L20 VanDerWaalsContact O-N 3.14Å; K18-I182 HydrophobicContact CG-CG2 4.31Å; K18-S183 WeakPolarHBondContact CE-O 3.32Å; K18-S183 PolarHBondContact NZ-O 3.18Å; K18-E193 WeakPolarHBondContact CD-OE2 3.33Å; K18-E193 WeakPolarHBondContact CE-OE2 3.44Å; K18-E193 IonicContact NZ-OE1 3.87Å; K18-E193 PolarHBondContact NZ-OE1 3.18Å; K18-E193 IonicContact NZ-OE2 3.59Å; K18-E193 PolarHBondContact NZ-OE2 2.82Å
19C80.5Confident82.3Confident28 Ų2880.3 Ų80.319%0.18941%0.409CS..  trans-74.3107.8166.6-160.40000109.6I17 C22I17-C19 PolarHBondContact O-N 3.02Å; C19-C22 HydrophobicContact CB-CB 3.97Å; C19-C22 WeakPolarHBondContact CB-SG 3.47Å; C19-C22 WeakPolarHBondContact SG-CB 3.22Å; C19-C22 PolarHBondContact SG-N 3.39Å; C19-C22 CovalentContact SG-SG 2.03Å; C19-C22 PolarHBondContact SG-SG 3.32Å
20L75.9Confident81.8Confident136 Ų13676.2 Ų76.271%0.71240%0.398SS*.SBendtrans-92.6-16.4177.8-59.8-172.5000113.2K18K18-L20 HydrophobicContact CB-CD2 3.96Å; K18-L20 HydrophobicContact CB-CG 4.45Å; K18-L20 PolarHBondContact O-N 2.98Å; K18-L20 VanDerWaalsContact O-N 3.14Å
21S64.4Low80.3Confident108 Ų10878.2 Ų78.276%0.75542%0.418SS*.SBendtrans-117.2-15.9-171.159.30000114.1K23S21-K23 PolarHBondContact O-N 3.11Å
22C60.1Low78.1Confident36 Ų3677 Ų7724%0.24341%0.414CS..  trans-78.4109.1-175.5-45.40000108.6C19 H24 I192C19-C22 HydrophobicContact CB-CB 3.97Å; C19-C22 WeakPolarHBondContact CB-SG 3.47Å; C19-C22 WeakPolarHBondContact SG-CB 3.22Å; C19-C22 PolarHBondContact SG-N 3.39Å; C19-C22 CovalentContact SG-SG 2.03Å; C19-C22 PolarHBondContact SG-SG 3.32Å; C22-H24 WeakPolarHBondContact CB-CD2 3.43Å; C22-H24 VanDerWaalsContact CB-NE2 3.31Å; C22-H24 WeakPolarHBondContact CB-NE2 3.5Å; C22-H24 PolarHBondContact O-N 2.69Å; C22-I192 VanDerWaalsContact SG-CD1 3.6Å
23K67.8Low76Confident155 Ų15575.1 Ų75.167%0.67440%0.4SS*.  trans-73.2-12.9161.9-60.7-171.8178.1-176.30112.1S21 E25S21-K23 PolarHBondContact O-N 3.11Å; K23-E25 HydrophobicContact CB-CB 4.24Å; K23-E25 HydrophobicContact CB-CG 3.73Å; K23-E25 VanDerWaalsContact CD-CD 3.5Å; K23-E25 WeakPolarHBondContact CD-OE1 3.33Å; K23-E25 WeakPolarHBondContact CD-OE2 3.19Å; K23-E25 IonicContact NZ-OE2 2.94Å; K23-E25 PolarHBondContact O-N 2.96Å
24H72.6Confident73.7Confident53 Ų5377.3 Ų77.325%0.24542%0.415CS..  trans56.920.2-171.8-51.7135.2000113.4C22 R69 R108 C190C22-H24 WeakPolarHBondContact CB-CD2 3.43Å; C22-H24 VanDerWaalsContact CB-NE2 3.31Å; C22-H24 WeakPolarHBondContact CB-NE2 3.5Å; C22-H24 PolarHBondContact O-N 2.69Å; H24-R69 PolarHBondContact CD2-NH2 2.99Å; H24-R69 PolarHBondContact NE2-NH2 3.36Å; H24-R108 PolarHBondContact O-NH1 3.17Å; H24-R108 PolarHBondContact O-NH2 3.24Å; H24-C190 PolarHBondContact CE1-SG 3.32Å; H24-C190 PolarHBondContact NE2-SG 2.68Å
25E77.5Confident71.5Confident125 Ų12577.6 Ų77.658%0.58442%0.419SS*.  trans-80.8-16.2-176.8-72.4168.1-174.200113K23 R108K23-E25 HydrophobicContact CB-CB 4.24Å; K23-E25 HydrophobicContact CB-CG 3.73Å; K23-E25 VanDerWaalsContact CD-CD 3.5Å; K23-E25 WeakPolarHBondContact CD-OE1 3.33Å; K23-E25 WeakPolarHBondContact CD-OE2 3.19Å; K23-E25 IonicContact NZ-OE2 2.94Å; K23-E25 PolarHBondContact O-N 2.96Å; E25-R108 WeakPolarHBondContact O-CD 3.26Å; E25-R108 PolarHBondContact O-NE 3.34Å
26E83.2Confident69.3Low155 Ų15581.2 Ų81.272%0.72444%0.438SS*.SBendtrans-131149.4-176.2-64.3178.4-177.500110.5
27N84.5Confident66.9Low40 Ų4076.3 Ų76.321%0.21442%0.416CS..  trans-77.4135.6169.3-64.5-23.8000109.3D82 I84 R108N27-D82 CarbonylContact C-O 3.38Å; N27-D82 WeakPolarHBondContact CA-O 3.21Å; N27-I84 PolarHBondContact OD1-N 3.06Å; N27-I84 VanDerWaalsContact OD1-N 3.1Å; N27-R108 PolarHBondContact ND2-O 2.94Å; N27-R108 PolarHBondContact OD1-NH1 2.91Å; N27-R108 VanDerWaalsContact OD1-NH1 3.09Å
28I82.4Confident64.7Low75 Ų7580.2 Ų80.239%0.38544%0.44SS..BIsolated β-bridgetrans-101.592.9170.2-54.2176.7000107.3V79 C81 D82I28-V79 HydrophobicContact CB-CG1 4.29Å; I28-V79 HydrophobicContact CD1-CG1 4.25Å; I28-V79 HydrophobicContact CG2-CG1 4.19Å; I28-C81 CarbonylContact O-C 3.56Å; I28-C81 WeakPolarHBondContact O-CA 3.47Å; I28-D82 HydrophobicContact CB-CB 4.07Å; I28-D82 HydrophobicContact CG1-CB 4.45Å; I28-D82 PolarHBondContact N-O 2.87Å; I28-D82 PolarHBondContact O-N 2.91Å
29T71.6Confident62.7Low54 Ų5480.5 Ų80.533%0.33145%0.45SS..  trans-109.596.8165.9550000107V31 I83T29-V31 PolarHBondContact O-N 3.07Å; T29-I83 HydrophobicContact CG2-CD1 3.41Å; T29-I83 VanDerWaalsContact CG2-CD1 3.41Å; T29-I83 HydrophobicContact CG2-CG1 3.46Å; T29-I83 VanDerWaalsContact CG2-CG1 3.46Å
30P60.1Low61Low61 Ų6182.9 Ų82.940%0.39646%0.458SS..  trans-53.7133.7165.4-9.222000106.6F32 L80P30-F32 PolarHBondContact O-N 3.42Å; P30-L80 WeakPolarHBondContact CD-O 3.43Å; P30-L80 WeakPolarHBondContact CG-O 3.49Å
31V51Low59.6Low137 Ų13780.5 Ų80.583%0.8345%0.445SS*.  trans-50.3112.4173.3178.80000106.3T29 D33T29-V31 PolarHBondContact O-N 3.07Å; V31-D33 PolarHBondContact O-N 3.21Å
32F48.7Very low58.8Low55 Ų5582 Ų8224%0.24144%0.444CS..  trans-72.388.8180-169.8-92.2000106.9P30 S34 L37 K121 I122P30-F32 PolarHBondContact O-N 3.42Å; F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 2.85Å; F32-L37 HydrophobicContact CD2-CD1 4.44Å; F32-L37 HydrophobicContact CE1-CD1 3.79Å; F32-L37 HydrophobicContact CE1-CD2 4.5Å; F32-L37 HydrophobicContact CE2-CD1 3.5Å; F32-L37 HydrophobicContact CE2-CD2 4.46Å; F32-L37 HydrophobicContact CZ-CD1 3.1Å; F32-L37 HydrophobicContact CZ-CD2 3.67Å; F32-L37 HydrophobicContact CZ-CG 3.88Å; F32-K121 HydrophobicContact CD1-CD 4.2Å; F32-K121 HydrophobicContact CE1-CB 3.86Å; F32-K121 HydrophobicContact CE1-CD 3.7Å; F32-K121 HydrophobicContact CE1-CG 4.31Å; F32-K121 HydrophobicContact CE2-CB 3.92Å; F32-K121 HydrophobicContact CZ-CB 3.35Å; F32-K121 HydrophobicContact CZ-CD 4.11Å; F32-K121 HydrophobicContact CZ-CG 4.27Å; F32-I122 HydrophobicContact CD2-CG1 4.18Å; F32-I122 HydrophobicContact CE2-CG1 3.88Å
33D51.1Low58Low74 Ų7483.1 Ų83.140%0.39645%0.452SS..  trans-72.994.4171.2-173.90.7000107.9V31 S35 N36V31-D33 PolarHBondContact O-N 3.21Å; D33-S35 PolarHBondContact O-N 2.9Å; D33-S35 WeakPolarHBondContact OD1-CB 3.47Å; D33-S35 PolarHBondContact OD1-N 3.33Å; D33-S35 PolarHBondContact OD1-OG 3.11Å; D33-S35 PolarHBondContact OD2-OG 3.28Å; D33-N36 PolarHBondContact O-N 2.84Å; D33-N36 PolarHBondContact OD2-ND2 3.24Å
34S47.1Very low57Low75 Ų7582.2 Ų82.252%0.52446%0.462SS..Hα-helixtrans-54.7-22174.249.60000112.4F32 N36 L37 T38F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 2.85Å; S34-N36 VanDerWaalsContact C-N 3.34Å; S34-N36 PolarHBondContact O-N 3.45Å; S34-L37 PolarHBondContact O-N 3.04Å; S34-T38 PolarHBondContact O-N 2.82Å
35S48.5Very low55.9Low59 Ų5984.5 Ų84.541%0.41348%0.475SS..Hα-helixtrans-65.9-35.9177.280.40000112.1D33 L37 T38 S39D33-S35 PolarHBondContact O-N 2.9Å; D33-S35 WeakPolarHBondContact OD1-CB 3.47Å; D33-S35 PolarHBondContact OD1-N 3.33Å; D33-S35 PolarHBondContact OD1-OG 3.11Å; D33-S35 PolarHBondContact OD2-OG 3.28Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 2.98Å; S35-T38 WeakPolarHBondContact CA-OG1 3.44Å; S35-T38 PolarHBondContact O-N 3.26Å; S35-T38 VanDerWaalsContact O-N 3.15Å; S35-T38 PolarHBondContact O-OG1 3.12Å; S35-S39 PolarHBondContact O-N 3.34Å
36N48Very low55Low92 Ų9284.5 Ų84.549%0.49248%0.479SS..Hα-helixtrans-68.5-32173.9-75.3-45.4000112.1D33 S34 S39 E40D33-N36 PolarHBondContact O-N 2.84Å; D33-N36 PolarHBondContact OD2-ND2 3.24Å; S34-N36 VanDerWaalsContact C-N 3.34Å; S34-N36 PolarHBondContact O-N 3.45Å; N36-S39 PolarHBondContact O-N 2.87Å; N36-S39 PolarHBondContact O-OG 3.15Å; N36-E40 WeakPolarHBondContact O-CB 3.43Å; N36-E40 WeakPolarHBondContact O-CG 3.27Å; N36-E40 PolarHBondContact O-N 3.16Å
37L44.3Very low54.7Low19 Ų1977.9 Ų77.910%0.09945%0.448CS..Hα-helixtrans-71-33.9170-92.491.2000112.6F32 S34 S35 S39 E40 M41 K121F32-L37 HydrophobicContact CD2-CD1 4.44Å; F32-L37 HydrophobicContact CE1-CD1 3.79Å; F32-L37 HydrophobicContact CE1-CD2 4.5Å; F32-L37 HydrophobicContact CE2-CD1 3.5Å; F32-L37 HydrophobicContact CE2-CD2 4.46Å; F32-L37 HydrophobicContact CZ-CD1 3.1Å; F32-L37 HydrophobicContact CZ-CD2 3.67Å; F32-L37 HydrophobicContact CZ-CG 3.88Å; S34-L37 PolarHBondContact O-N 3.04Å; S35-L37 VanDerWaalsContact C-N 3.32Å; S35-L37 PolarHBondContact O-N 2.98Å; L37-S39 PolarHBondContact O-N 3.22Å; L37-E40 CarbonylContact O-C 3.51Å; L37-E40 PolarHBondContact O-N 2.94Å; L37-E40 VanDerWaalsContact O-N 3.15Å; L37-M41 HydrophobicContact CB-CG 4.24Å; L37-M41 HydrophobicContact CB-SD 3.95Å; L37-M41 HydrophobicContact CD2-CE 3.57Å; L37-M41 HydrophobicContact CD2-CG 4.22Å; L37-M41 HydrophobicContact CD2-SD 3.96Å; L37-M41 WeakPolarHBondContact O-CA 3.18Å; L37-M41 WeakPolarHBondContact O-CB 3.45Å; L37-M41 WeakPolarHBondContact O-CG 3.43Å; L37-M41 PolarHBondContact O-N 3.17Å; L37-K121 WeakPolarHBondContact CD2-O 3.4Å
38T48.3Very low55Low84 Ų8479 Ų7952%0.51546%0.46SS..Hα-helixtrans-62.8-33.5175.9540000112.3S34 S35 N42S34-T38 PolarHBondContact O-N 2.82Å; S35-T38 WeakPolarHBondContact CA-OG1 3.44Å; S35-T38 PolarHBondContact O-N 3.26Å; S35-T38 VanDerWaalsContact O-N 3.15Å; S35-T38 PolarHBondContact O-OG1 3.12Å; T38-N42 WeakPolarHBondContact O-CB 3.42Å; T38-N42 VanDerWaalsContact O-CG 3.28Å; T38-N42 PolarHBondContact O-N 3.25Å; T38-N42 PolarHBondContact O-ND2 3.33Å
39S48.4Very low55.7Low70 Ų7076.2 Ų76.249%0.4945%0.446SS..Hα-helixtrans-72-38.1171.246.30000113.3S35 N36 L37S35-S39 PolarHBondContact O-N 3.34Å; N36-S39 PolarHBondContact O-N 2.87Å; N36-S39 PolarHBondContact O-OG 3.15Å; L37-S39 PolarHBondContact O-N 3.22Å
40E46.4Very low57Low77 Ų7773.7 Ų73.736%0.3643%0.431SS..Hα-helixtrans-78.4-34.6-179.7-78-172.1-178.800113.6N36 L37 N42 C43 L47 R126N36-E40 WeakPolarHBondContact O-CB 3.43Å; N36-E40 WeakPolarHBondContact O-CG 3.27Å; N36-E40 PolarHBondContact O-N 3.16Å; L37-E40 CarbonylContact O-C 3.51Å; L37-E40 PolarHBondContact O-N 2.94Å; L37-E40 VanDerWaalsContact O-N 3.15Å; E40-N42 VanDerWaalsContact C-N 3.34Å; E40-C43 VanDerWaalsContact O-O 3.11Å; E40-L47 HydrophobicContact CB-CD2 3.98Å; E40-L47 HydrophobicContact CG-CD2 4.28Å; E40-L47 WeakPolarHBondContact OE2-CD2 3.47Å; E40-R126 IonicContact OE2-CZ 3.64Å; E40-R126 IonicContact OE2-NH2 2.87Å; E40-R126 PolarHBondContact OE2-NH2 2.82Å
41M46.3Very low58.8Low87 Ų8770.8 Ų70.843%0.42941%0.412SS..Hα-helixtrans-73.3-25.3178.9-73.2172.7146.600112.2L37 C43 H124L37-M41 HydrophobicContact CB-CG 4.24Å; L37-M41 HydrophobicContact CB-SD 3.95Å; L37-M41 HydrophobicContact CD2-CE 3.57Å; L37-M41 HydrophobicContact CD2-CG 4.22Å; L37-M41 HydrophobicContact CD2-SD 3.96Å; L37-M41 WeakPolarHBondContact O-CA 3.18Å; L37-M41 WeakPolarHBondContact O-CB 3.45Å; L37-M41 WeakPolarHBondContact O-CG 3.43Å; L37-M41 PolarHBondContact O-N 3.17Å; M41-C43 VanDerWaalsContact C-N 3.34Å; M41-H124 HydrophobicContact CE-CB 4.31Å; M41-H124 VanDerWaalsContact CE-ND1 3.32Å; M41-H124 WeakPolarHBondContact CE-ND1 3.5Å
42N46.3Very low61.1Low138 Ų13864.3 Ų64.374%0.73837%0.372SS*.THydrogen-bonded Turntrans-83.2-7.2179.6-82.2-17.6000114.3T38 E40T38-N42 WeakPolarHBondContact O-CB 3.42Å; T38-N42 VanDerWaalsContact O-CG 3.28Å; T38-N42 PolarHBondContact O-N 3.25Å; T38-N42 PolarHBondContact O-ND2 3.33Å; E40-N42 VanDerWaalsContact C-N 3.34Å
43C43.2Very low63.4Low61 Ų6162.4 Ų62.441%0.41237%0.365SS..SBendtrans-112.1135.9170.3-73.50000108.6E40 M41 I45E40-C43 VanDerWaalsContact O-O 3.11Å; M41-C43 VanDerWaalsContact C-N 3.34Å; C43-I45 HydrophobicContact CB-CD1 3.54Å; C43-I45 HydrophobicContact CB-CG1 3.29Å; C43-I45 PolarHBondContact O-N 2.78Å
44P47.3Very low65.7Low135 Ų13559.1 Ų59.188%0.87735%0.348SS*.  trans-73.739.9175.932.5-34.2000111.4N46P44-N46 PolarHBondContact O-N 2.98Å
45I49.8Very low68.1Low101 Ų10156.1 Ų56.152%0.51833%0.325SS..  trans-71.5126176.7-39.4-177.1000105.7C43 L47C43-I45 HydrophobicContact CB-CD1 3.54Å; C43-I45 HydrophobicContact CB-CG1 3.29Å; C43-I45 PolarHBondContact O-N 2.78Å; I45-L47 VanDerWaalsContact C-N 3.28Å; I45-L47 PolarHBondContact O-N 3.4Å
46N58.3Low70.5Confident126 Ų12655 Ų5567%0.67431%0.314SS*.  trans-57.599.3164.9-122.8-25.2000106.7P44 S48P44-N46 PolarHBondContact O-N 2.98Å; N46-S48 PolarHBondContact O-N 3.44Å
47L78.1Confident72.9Confident16 Ų1650.6 Ų50.68%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-59.2138.5177.9-67.8169.7000108.1E40 I45 R126E40-L47 HydrophobicContact CB-CD2 3.98Å; E40-L47 HydrophobicContact CG-CD2 4.28Å; E40-L47 WeakPolarHBondContact OE2-CD2 3.47Å; I45-L47 VanDerWaalsContact C-N 3.28Å; I45-L47 PolarHBondContact O-N 3.4Å; L47-R126 HydrophobicContact CB-CB 4.44Å; L47-R126 HydrophobicContact CB-CG 3.72Å; L47-R126 HydrophobicContact CD1-CG 3.73Å; L47-R126 HydrophobicContact CG-CG 4.35Å
48S91Very high75.5Confident64 Ų6449.7 Ų49.745%0.44829%0.286SS..EExtended strand (participates in β ladder)trans-51.8135.6-179.1-172.70000110.3N46 H75N46-S48 PolarHBondContact O-N 3.44Å; S48-H75 WeakPolarHBondContact OG-CB 3.4Å
49P96.7Very high77.8Confident15 Ų1546.7 Ų46.710%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-54.9145.2178.3-24.833.7000111.9H75 I127 V129 M199 Y202P49-H75 PolarHBondContact O-N 3.13Å; P49-I127 WeakPolarHBondContact CA-O 3.4Å; P49-I127 HydrophobicContact CB-CB 4.07Å; P49-I127 HydrophobicContact CB-CG2 4.09Å; P49-I127 HydrophobicContact CG-CB 4.19Å; P49-I127 HydrophobicContact CG-CD1 4.43Å; P49-I127 HydrophobicContact CG-CG2 4.4Å; P49-V129 HydrophobicContact CB-CG2 4.3Å; P49-M199 HydrophobicContact CB-CE 4.27Å; P49-Y202 HydrophobicContact CB-CE1 4.05Å; P49-Y202 HydrophobicContact CG-CE1 4.01Å
50I98Very high80.1Confident2 Ų245.1 Ų45.11%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-118158.1172.156162.6000109.3I72 V73 L80 I122 I123 R126 I127 V128 V129I50-I72 HydrophobicContact CB-CG2 4Å; I50-I72 HydrophobicContact CD1-CG2 3.8Å; I50-I72 HydrophobicContact CG1-CG2 4.44Å; I50-I72 HydrophobicContact CG2-CG2 4.46Å; I50-V73 CarbonylContact C-O 3.54Å; I50-V73 VanDerWaalsContact CA-O 3.29Å; I50-V73 WeakPolarHBondContact CA-O 3.43Å; I50-V73 WeakPolarHBondContact CB-O 3.27Å; I50-L80 HydrophobicContact CG2-CD1 3.77Å; I50-I122 HydrophobicContact CD1-CG2 4.03Å; I50-I123 HydrophobicContact CD1-CB 4.21Å; I50-I123 HydrophobicContact CD1-CG2 3.66Å; I50-R126 HydrophobicContact CG1-CB 4.44Å; I50-I127 PolarHBondContact N-O 3.16Å; I50-V128 HydrophobicContact CD1-CG2 4.23Å; I50-V128 HydrophobicContact CG1-CG2 4.32Å; I50-V129 WeakPolarHBondContact O-CB 3.47Å; I50-V129 PolarHBondContact O-N 3.37Å
51A98.6Very high82.4Confident0 Ų050 Ų500%029%0.289CS..EExtended strand (participates in β ladder)trans-116.3144.8167.200000110.8I72 V73 V129 A195 M199A51-I72 CarbonylContact O-C 3.57Å; A51-I72 VanDerWaalsContact O-CA 3.26Å; A51-I72 WeakPolarHBondContact O-CA 3.35Å; A51-V73 HydrophobicContact CB-CG2 3.91Å; A51-V73 PolarHBondContact N-O 3.37Å; A51-V73 PolarHBondContact O-N 3.14Å; A51-V129 VanDerWaalsContact CA-O 3.22Å; A51-V129 WeakPolarHBondContact CA-O 3.22Å; A51-V129 HydrophobicContact CB-CB 4.02Å; A51-V129 HydrophobicContact CB-CG1 4.35Å; A51-A195 HydrophobicContact CB-CB 4.28Å; A51-A195 WeakPolarHBondContact CB-O 3.39Å; A51-M199 HydrophobicContact CB-CB 3.8Å; A51-M199 HydrophobicContact CB-CE 3.87Å
52L98.1Very high84.8Confident0 Ų053.7 Ų53.70%031%0.306CS..EExtended strand (participates in β ladder)trans-130.3143.7-178.5175.6155.8000109.4I70 S71 I72 V119 I123 V128 V129 L133 D136 L140L52-I70 HydrophobicContact CD1-CD1 3.6Å; L52-I70 HydrophobicContact CD1-CG1 4.38Å; L52-I70 HydrophobicContact CD2-CD1 4.48Å; L52-I70 HydrophobicContact CG-CD1 4Å; L52-I70 HydrophobicContact CG-CG1 4.3Å; L52-S71 WeakPolarHBondContact CA-O 3.18Å; L52-I72 HydrophobicContact CB-CG1 4.29Å; L52-I72 HydrophobicContact CD1-CD1 4.05Å; L52-I72 HydrophobicContact CD1-CG1 4.02Å; L52-I72 HydrophobicContact CG-CG1 4.2Å; L52-V119 HydrophobicContact CD1-CG1 4.16Å; L52-I123 HydrophobicContact CD1-CG2 4.43Å; L52-V128 HydrophobicContact CB-CG1 4.28Å; L52-V129 PolarHBondContact N-O 2.94Å; L52-L133 HydrophobicContact CD2-CD2 4.37Å; L52-D136 HydrophobicContact CD2-CB 3.67Å; L52-L140 HydrophobicContact CD1-CD1 4.06Å; L52-L140 HydrophobicContact CD2-CD1 4.34Å
53D98.5Very high87.1Confident16 Ų1650 Ų509%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-146.6144.5168.8-172.188.1000109.7S71 S191 D194 A195D53-S71 PolarHBondContact N-O 3.22Å; D53-S71 VanDerWaalsContact N-O 3.09Å; D53-S71 PolarHBondContact O-N 3.12Å; D53-S191 WeakPolarHBondContact CB-O 3.49Å; D53-S191 VanDerWaalsContact OD2-CA 3.28Å; D53-S191 WeakPolarHBondContact OD2-CA 3.48Å; D53-S191 WeakPolarHBondContact OD2-CB 3.41Å; D53-D194 HydrophobicContact CB-CB 4.19Å; D53-A195 HydrophobicContact CB-CB 4.01Å
54C98.3Very high89.7Confident5 Ų550.2 Ų50.23%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-122.5138.2-179.5-68.90000111.4M56 L67 R69 D136 V139C54-M56 HydrophobicContact CB-CE 3.45Å; C54-M56 VanDerWaalsContact CB-CE 3.45Å; C54-M56 VanDerWaalsContact O-CE 3.29Å; C54-M56 WeakPolarHBondContact O-CE 3.45Å; C54-M56 VanDerWaalsContact O-SD 3.4Å; C54-L67 HydrophobicContact CB-CD1 3.66Å; C54-L67 VanDerWaalsContact SG-CD1 3.55Å; C54-R69 CarbonylContact C-O 3.5Å; C54-R69 VanDerWaalsContact CA-O 3.28Å; C54-R69 WeakPolarHBondContact CA-O 3.35Å; C54-D136 HydrophobicContact CB-CB 4.41Å; C54-D136 WeakPolarHBondContact CB-OD1 3.21Å; C54-D136 PolarHBondContact N-OD1 2.81Å; C54-V139 HydrophobicContact CB-CG2 4.31Å
55E97.8Very high92.1Very high11 Ų1148.9 Ų48.95%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-95.8139.8163.1-56.4-63.6167.700110G68 R69 I101 H189 S191E55-G68 PolarHBondContact O-N 3.24Å; E55-R69 HydrophobicContact CB-CB 4Å; E55-R69 HydrophobicContact CG-CB 4.29Å; E55-R69 PolarHBondContact N-O 2.83Å; E55-R69 PolarHBondContact O-N 2.89Å; E55-R69 VanDerWaalsContact O-N 3.07Å; E55-I101 HydrophobicContact CB-CD1 4.15Å; E55-H189 WeakPolarHBondContact OE1-CB 3.33Å; E55-S191 PolarHBondContact OE1-N 3.15Å
56M98.2Very high94.5Very high36 Ų3644.7 Ų44.718%0.17725%0.254CS..EExtended strand (participates in β ladder)trans-108.8143.6-178-61.884.3-164.200112C54 A66 R95 V139C54-M56 HydrophobicContact CB-CE 3.45Å; C54-M56 VanDerWaalsContact CB-CE 3.45Å; C54-M56 VanDerWaalsContact O-CE 3.29Å; C54-M56 WeakPolarHBondContact O-CE 3.45Å; C54-M56 VanDerWaalsContact O-SD 3.4Å; M56-A66 CarbonylContact C-O 3.57Å; M56-A66 WeakPolarHBondContact CA-O 3.17Å; M56-A66 WeakPolarHBondContact CB-O 3.35Å; M56-R95 WeakPolarHBondContact O-CD 3.09Å; M56-V139 HydrophobicContact CE-CG1 4.37Å; M56-V139 HydrophobicContact CE-CG2 3.65Å; M56-V139 HydrophobicContact CG-CG1 3.84Å; M56-V139 HydrophobicContact CG-CG2 4.36Å
57V98.5Very high96.4Very high0 Ų038.8 Ų38.80%022%0.222CC..EExtended strand (participates in β ladder)trans-106.7169.8163.3-62.50000109.5V59 A66 P87 I91 I101V57-V59 HydrophobicContact CG2-CG1 4.45Å; V57-A66 HydrophobicContact CG2-CB 4.33Å; V57-A66 PolarHBondContact N-O 3.48Å; V57-A66 PolarHBondContact O-N 2.87Å; V57-P87 HydrophobicContact CG2-CG 3.88Å; V57-I91 HydrophobicContact CB-CG2 4.28Å; V57-I91 HydrophobicContact CG2-CD1 4.38Å; V57-I91 HydrophobicContact CG2-CG1 4.24Å; V57-I101 HydrophobicContact CG1-CB 4.44Å; V57-I101 HydrophobicContact CG1-CD1 3.81Å; V57-I101 HydrophobicContact CG1-CG2 4.34Å
58G98.5Very high97.3Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-100134.2172.200000111.9N63 S64 I91 S92 D93G58-N63 WeakPolarHBondContact CA-OD1 3.27Å; G58-S64 CarbonylContact C-O 3.57Å; G58-S64 WeakPolarHBondContact CA-O 3.13Å; G58-I91 CarbonylContact O-C 3.52Å; G58-I91 WeakPolarHBondContact O-CA 2.91Å; G58-S92 PolarHBondContact O-N 2.91Å; G58-S92 PolarHBondContact O-OG 3.32Å; G58-D93 PolarHBondContact N-O 2.89Å; G58-D93 PolarHBondContact O-N 2.84Å
59V98.3Very high97.6Very high20 Ų2035.5 Ų35.512%0.12120%0.199CC..EExtended strand (participates in β ladder)trans-123.9145.3178.4-63.30000112.5V57 N63 S64 A66 P87 E90 I91V57-V59 HydrophobicContact CG2-CG1 4.45Å; V59-N63 PolarHBondContact O-N 3.33Å; V59-S64 PolarHBondContact N-O 3.37Å; V59-S64 PolarHBondContact O-N 3.4Å; V59-A66 HydrophobicContact CB-CB 4.33Å; V59-A66 HydrophobicContact CG1-CB 3.6Å; V59-A66 HydrophobicContact CG2-CB 3.76Å; V59-P87 HydrophobicContact CG1-CB 3.98Å; V59-P87 HydrophobicContact CG1-CG 3.7Å; V59-E90 VanDerWaalsContact CA-O 3.28Å; V59-E90 WeakPolarHBondContact CA-O 3.33Å; V59-I91 HydrophobicContact CG1-CG1 4.43Å
60G96.7Very high97.6Very high37 Ų3734.8 Ų34.838%0.38120%0.195SC..THydrogen-bonded Turntrans67-172.7177.200000114.5E62 N63 E90 S92G60-E62 VanDerWaalsContact C-N 3.34Å; G60-E62 PolarHBondContact O-N 2.92Å; G60-N63 PolarHBondContact O-N 2.78Å; G60-E90 PolarHBondContact N-O 3.23Å; G60-S92 WeakPolarHBondContact O-CB 3.5Å; G60-S92 PolarHBondContact O-OG 3.18Å
61L94.4Very high97.6Very high180 Ų18034.7 Ų34.794%0.94219%0.194SC*.THydrogen-bonded Turntrans-65.3-35.1-175.5-62.6177.4000113.1N63L61-N63 PolarHBondContact O-N 3.45Å
62E95.7Very high97.5Very high165 Ų16534.7 Ų34.777%0.77119%0.194SC*.THydrogen-bonded Turntrans-80.30178.9-60.8-58.5145.500113G60 S64G60-E62 VanDerWaalsContact C-N 3.34Å; G60-E62 PolarHBondContact O-N 2.92Å; E62-S64 PolarHBondContact O-N 2.94Å
63N95.8Very high97.4Very high61 Ų6134.7 Ų34.733%0.32619%0.194SC..THydrogen-bonded Turntrans53.137.6-178.6-161.725000112.8G58 V59 G60 L61 S92 D93 R95G58-N63 WeakPolarHBondContact CA-OD1 3.27Å; V59-N63 PolarHBondContact O-N 3.33Å; G60-N63 PolarHBondContact O-N 2.78Å; L61-N63 PolarHBondContact O-N 3.45Å; N63-S92 PolarHBondContact OD1-OG 3.42Å; N63-D93 WeakPolarHBondContact OD1-CB 3.39Å; N63-R95 PolarHBondContact O-NH2 3.15Å
64S97.5Very high97.2Very high64 Ų6435.9 Ų35.945%0.44820%0.2SC..EExtended strand (participates in β ladder)trans-62.7146.9-174.3-70.10000111.6G58 V59 E62 A66G58-S64 CarbonylContact C-O 3.57Å; G58-S64 WeakPolarHBondContact CA-O 3.13Å; V59-S64 PolarHBondContact N-O 3.37Å; V59-S64 PolarHBondContact O-N 3.4Å; E62-S64 PolarHBondContact O-N 2.94Å; S64-A66 PolarHBondContact O-N 3.1Å
65N98.1Very high97.1Very high108 Ų10837.1 Ų37.158%0.57821%0.206SC*.EExtended strand (participates in β ladder)trans-65124.7178.2-65-20.4000111R95 V139N65-R95 VanDerWaalsContact OD1-CZ 3.23Å; N65-R95 PolarHBondContact OD1-NH1 3.38Å; N65-R95 PolarHBondContact OD1-NH2 3.1Å; N65-V139 HydrophobicContact CB-CG1 4.03Å
66A98.4Very high97Very high13 Ų1341.9 Ų41.911%0.10723%0.228CC..EExtended strand (participates in β ladder)trans-130.8157.2169.100000110.9M56 V57 V59 S64 G68 P87M56-A66 CarbonylContact C-O 3.57Å; M56-A66 WeakPolarHBondContact CA-O 3.17Å; M56-A66 WeakPolarHBondContact CB-O 3.35Å; V57-A66 HydrophobicContact CG2-CB 4.33Å; V57-A66 PolarHBondContact N-O 3.48Å; V57-A66 PolarHBondContact O-N 2.87Å; V59-A66 HydrophobicContact CB-CB 4.33Å; V59-A66 HydrophobicContact CG1-CB 3.6Å; V59-A66 HydrophobicContact CG2-CB 3.76Å; S64-A66 PolarHBondContact O-N 3.1Å; A66-G68 PolarHBondContact O-N 2.85Å; A66-P87 HydrophobicContact CB-CB 3.58Å; A66-P87 HydrophobicContact CB-CG 4.36Å
67L98.4Very high96.9Very high1 Ų140.4 Ų40.41%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-67.9122.7178.7-176.862.2000110.5C54 R69 I70 V85 Y112 V115 V139 L140C54-L67 HydrophobicContact CB-CD1 3.66Å; C54-L67 VanDerWaalsContact SG-CD1 3.55Å; L67-R69 VanDerWaalsContact CD1-O 3.3Å; L67-R69 WeakPolarHBondContact CD1-O 3.37Å; L67-I70 HydrophobicContact CD1-CB 4.26Å; L67-V85 HydrophobicContact CD2-CB 4.35Å; L67-V85 HydrophobicContact CD2-CG1 4.16Å; L67-V85 HydrophobicContact CD2-CG2 3.83Å; L67-V85 HydrophobicContact CG-CB 4.07Å; L67-V85 HydrophobicContact CG-CG1 4.22Å; L67-V85 HydrophobicContact CG-CG2 3.79Å; L67-Y112 HydrophobicContact CB-CD2 4.23Å; L67-Y112 HydrophobicContact CB-CE2 4.2Å; L67-Y112 HydrophobicContact CD2-CD2 4.34Å; L67-Y112 HydrophobicContact CD2-CE2 4.27Å; L67-V115 HydrophobicContact CD2-CG1 4.36Å; L67-V139 HydrophobicContact CB-CB 4.32Å; L67-V139 HydrophobicContact CB-CG2 4.32Å; L67-V139 HydrophobicContact CD1-CG2 4.13Å; L67-L140 HydrophobicContact CD2-CD2 3.69Å
68G97.5Very high96.6Very high1 Ų147.3 Ų47.31%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-111.9-30.7175.900000113.6E55 A66 V85 I101E55-G68 PolarHBondContact O-N 3.24Å; A66-G68 PolarHBondContact O-N 2.85Å; G68-V85 PolarHBondContact O-N 2.74Å; G68-I101 VanDerWaalsContact CA-CD1 3.5Å; G68-I101 WeakPolarHBondContact O-CD1 3.37Å
69R97.2Very high96.3Very high11 Ų1148.3 Ų48.34%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-150.4146172.2-173.2-179.9174.9-169.1-6.1109.7H24 C54 E55 L67 D82 I83 I84 I101 S191H24-R69 PolarHBondContact CD2-NH2 2.99Å; H24-R69 PolarHBondContact NE2-NH2 3.36Å; C54-R69 CarbonylContact C-O 3.5Å; C54-R69 VanDerWaalsContact CA-O 3.28Å; C54-R69 WeakPolarHBondContact CA-O 3.35Å; E55-R69 HydrophobicContact CB-CB 4Å; E55-R69 HydrophobicContact CG-CB 4.29Å; E55-R69 PolarHBondContact N-O 2.83Å; E55-R69 PolarHBondContact O-N 2.89Å; E55-R69 VanDerWaalsContact O-N 3.07Å; L67-R69 VanDerWaalsContact CD1-O 3.3Å; L67-R69 WeakPolarHBondContact CD1-O 3.37Å; R69-D82 IonicContact CZ-OD1 3.84Å; R69-D82 VanDerWaalsContact CZ-OD1 3.31Å; R69-D82 IonicContact CZ-OD2 2.89Å; R69-D82 IonicContact NE-OD1 2.76Å; R69-D82 PolarHBondContact NE-OD1 3.2Å; R69-D82 IonicContact NE-OD2 2.98Å; R69-D82 IonicContact NH2-OD1 2.78Å; R69-D82 PolarHBondContact NH2-OD1 2.84Å; R69-D82 IonicContact NH2-OD2 3.44Å; R69-D82 PolarHBondContact NH2-OD2 3.26Å; R69-I83 VanDerWaalsContact CA-O 3.28Å; R69-I83 WeakPolarHBondContact CA-O 3.39Å; R69-I83 WeakPolarHBondContact CG-O 3.45Å; R69-I84 HydrophobicContact CB-CD1 4.03Å; R69-I84 HydrophobicContact CG-CD1 3.94Å; R69-I101 HydrophobicContact CB-CD1 4.03Å; R69-I101 HydrophobicContact CB-CG1 4.5Å; R69-S191 WeakPolarHBondContact CD-OG 3.09Å; R69-S191 PolarHBondContact NE-OG 3.21Å
70I97.8Very high96Very high0 Ų049.6 Ų49.60%026%0.264CS..EExtended strand (participates in β ladder)trans-129.4140.3169.4179.8158.8000109.6L52 L67 I72 D82 I83 V85 V115 V119 L140L52-I70 HydrophobicContact CD1-CD1 3.6Å; L52-I70 HydrophobicContact CD1-CG1 4.38Å; L52-I70 HydrophobicContact CD2-CD1 4.48Å; L52-I70 HydrophobicContact CG-CD1 4Å; L52-I70 HydrophobicContact CG-CG1 4.3Å; L67-I70 HydrophobicContact CD1-CB 4.26Å; I70-I72 HydrophobicContact CD1-CD1 4.5Å; I70-I72 HydrophobicContact CD1-CG1 4.46Å; I70-I72 HydrophobicContact CG1-CG1 4.32Å; I70-D82 VanDerWaalsContact O-CA 3.32Å; I70-D82 WeakPolarHBondContact O-CA 3.47Å; I70-I83 HydrophobicContact CG2-CB 4.27Å; I70-I83 PolarHBondContact N-O 3.07Å; I70-I83 PolarHBondContact O-N 2.81Å; I70-V85 HydrophobicContact CG2-CG2 4.23Å; I70-V115 HydrophobicContact CG2-CG1 3.62Å; I70-V119 HydrophobicContact CD1-CB 4.37Å; I70-V119 HydrophobicContact CD1-CG1 3.91Å; I70-V119 HydrophobicContact CD1-CG2 3.52Å; I70-V119 HydrophobicContact CG1-CG2 4.48Å; I70-V119 HydrophobicContact CG2-CG2 4.39Å; I70-L140 HydrophobicContact CD1-CD1 4.08Å; I70-L140 HydrophobicContact CD1-CD2 3.88Å
71S96.6Very high95.8Very high0 Ų047.9 Ų47.90%025%0.246CC..EExtended strand (participates in β ladder)trans-127.9139.8166.2-49.60000111.3L52 D53 C81 D82 S191 I192L52-S71 WeakPolarHBondContact CA-O 3.18Å; D53-S71 PolarHBondContact N-O 3.22Å; D53-S71 VanDerWaalsContact N-O 3.09Å; D53-S71 PolarHBondContact O-N 3.12Å; S71-C81 CarbonylContact C-O 3.59Å; S71-C81 WeakPolarHBondContact CA-O 3.22Å; S71-D82 PolarHBondContact OG-OD1 2.84Å; S71-S191 WeakPolarHBondContact OG-CB 3.42Å; S71-S191 PolarHBondContact OG-OG 3.45Å; S71-I192 WeakPolarHBondContact OG-CG1 3.14Å; S71-I192 PolarHBondContact OG-N 2.79Å
72I97Very high95.9Very high0 Ų039.4 Ų39.40%020%0.202CC..EExtended strand (participates in β ladder)trans-125.5133.3173.3-53.8177.8000108.4I50 A51 L52 I70 L80 C81 V119 I122 I123I50-I72 HydrophobicContact CB-CG2 4Å; I50-I72 HydrophobicContact CD1-CG2 3.8Å; I50-I72 HydrophobicContact CG1-CG2 4.44Å; I50-I72 HydrophobicContact CG2-CG2 4.46Å; A51-I72 CarbonylContact O-C 3.57Å; A51-I72 VanDerWaalsContact O-CA 3.26Å; A51-I72 WeakPolarHBondContact O-CA 3.35Å; L52-I72 HydrophobicContact CB-CG1 4.29Å; L52-I72 HydrophobicContact CD1-CD1 4.05Å; L52-I72 HydrophobicContact CD1-CG1 4.02Å; L52-I72 HydrophobicContact CG-CG1 4.2Å; I70-I72 HydrophobicContact CD1-CD1 4.5Å; I70-I72 HydrophobicContact CD1-CG1 4.46Å; I70-I72 HydrophobicContact CG1-CG1 4.32Å; I72-L80 HydrophobicContact CG2-CB 4.4Å; I72-L80 HydrophobicContact CG2-CD1 4.38Å; I72-L80 PolarHBondContact O-N 3.43Å; I72-C81 HydrophobicContact CB-CB 3.92Å; I72-C81 HydrophobicContact CD1-CB 4.19Å; I72-C81 HydrophobicContact CG1-CB 4.06Å; I72-C81 PolarHBondContact N-O 3.27Å; I72-C81 PolarHBondContact O-N 3.29Å; I72-V119 HydrophobicContact CD1-CG1 4.21Å; I72-V119 HydrophobicContact CD1-CG2 4.3Å; I72-I122 HydrophobicContact CD1-CB 4.26Å; I72-I122 HydrophobicContact CD1-CD1 4.16Å; I72-I122 HydrophobicContact CD1-CG2 3.85Å; I72-I122 HydrophobicContact CG2-CG2 4.12Å; I72-I123 HydrophobicContact CD1-CG2 4.37Å
73V95.4Very high95.8Very high0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-122.5151174.5-56.40000111.3I50 A51 K78 V79 I192 A195 R196I50-V73 CarbonylContact C-O 3.54Å; I50-V73 VanDerWaalsContact CA-O 3.29Å; I50-V73 WeakPolarHBondContact CA-O 3.43Å; I50-V73 WeakPolarHBondContact CB-O 3.27Å; A51-V73 HydrophobicContact CB-CG2 3.91Å; A51-V73 PolarHBondContact N-O 3.37Å; A51-V73 PolarHBondContact O-N 3.14Å; V73-K78 CarbonylContact C-O 3.51Å; V73-K78 WeakPolarHBondContact CA-O 3.43Å; V73-K78 WeakPolarHBondContact CB-O 3.32Å; V73-V79 HydrophobicContact CG1-CG2 4.34Å; V73-I192 HydrophobicContact CG1-CG2 4.49Å; V73-A195 HydrophobicContact CG1-CB 4.37Å; V73-A195 HydrophobicContact CG2-CB 4.03Å; V73-R196 HydrophobicContact CG1-CG 4.1Å; V73-R196 HydrophobicContact CG2-CG 4.23Å
74D95.5Very high95.9Very high40 Ų4028.9 Ų28.921%0.21415%0.15CC..  trans-75.1-178.9170.573.79.7000112.1E76 G77 K78 L80D74-E76 PolarHBondContact O-N 2.93Å; D74-E76 WeakPolarHBondContact OD1-CA 3.48Å; D74-E76 PolarHBondContact OD1-N 2.8Å; D74-G77 PolarHBondContact O-N 2.99Å; D74-G77 PolarHBondContact OD1-N 2.98Å; D74-K78 PolarHBondContact N-O 2.03Å; D74-K78 WeakPolarHBondContact OD1-CB 3.28Å; D74-K78 PolarHBondContact OD1-N 2.97Å; D74-K78 WeakPolarHBondContact OD2-CB 3.32Å; D74-L80 HydrophobicContact CB-CD1 3.97Å; D74-L80 HydrophobicContact CB-CD2 4.21Å; D74-L80 HydrophobicContact CB-CG 4.11Å
75H96.5Very high95.9Very high31 Ų3125.8 Ų25.814%0.14413%0.129CC..THydrogen-bonded Turntrans-58.4-27.1179-171-93.3000114.6S48 P49 R203 Q206S48-H75 WeakPolarHBondContact OG-CB 3.4Å; P49-H75 PolarHBondContact O-N 3.13Å; H75-R203 PolarHBondContact CE1-NE 2.81Å; H75-R203 VanDerWaalsContact O-CD 3.27Å; H75-R203 WeakPolarHBondContact O-CD 3.14Å; H75-R203 PolarHBondContact O-NH1 2.82Å; H75-Q206 PolarHBondContact NE2-OE1 3.4Å
76E95.8Very high95.9Very high112 Ų11226.8 Ų26.852%0.52313%0.128SC..THydrogen-bonded Turntrans-94.62.9177.5-60.1-51.3121.200112.5I15 D74 R203I15-E76 WeakPolarHBondContact CG2-O 3Å; D74-E76 PolarHBondContact O-N 2.93Å; D74-E76 WeakPolarHBondContact OD1-CA 3.48Å; D74-E76 PolarHBondContact OD1-N 2.8Å; E76-R203 IonicContact OE1-CZ 2.85Å; E76-R203 IonicContact OE1-NH1 2.82Å; E76-R203 PolarHBondContact OE1-NH1 3.47Å; E76-R203 IonicContact OE1-NH2 3.55Å; E76-R203 IonicContact OE2-CZ 2.8Å; E76-R203 IonicContact OE2-NH1 3.6Å; E76-R203 PolarHBondContact OE2-NH1 2.99Å; E76-R203 IonicContact OE2-NH2 3.54Å
77G94.7Very high95.9Very high4 Ų426.6 Ų26.64%0.04113%0.126CC..  trans81.313179.700000114D74 R196D74-G77 PolarHBondContact O-N 2.99Å; D74-G77 PolarHBondContact OD1-N 2.98Å; G77-R196 VanDerWaalsContact O-CZ 3.3Å; G77-R196 PolarHBondContact O-NE 2.72Å; G77-R196 PolarHBondContact O-NH2 3.13Å
78K92.8Very high95.6Very high145 Ų14533.3 Ų33.363%0.6316%0.157SC*.  trans-72.7136.1171.7-173.8-174.6174.3-174.50109.2V73 D74 L80V73-K78 CarbonylContact C-O 3.51Å; V73-K78 WeakPolarHBondContact CA-O 3.43Å; V73-K78 WeakPolarHBondContact CB-O 3.32Å; D74-K78 PolarHBondContact N-O 2.03Å; D74-K78 WeakPolarHBondContact OD1-CB 3.28Å; D74-K78 PolarHBondContact OD1-N 2.97Å; D74-K78 WeakPolarHBondContact OD2-CB 3.32Å; K78-L80 PolarHBondContact O-N 3.21Å
79V92.3Very high95.4Very high22 Ų2236.2 Ų36.213%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-70.5123179.8-176.90000109.8I28 V73 C81 D82 I192I28-V79 HydrophobicContact CB-CG1 4.29Å; I28-V79 HydrophobicContact CD1-CG1 4.25Å; I28-V79 HydrophobicContact CG2-CG1 4.19Å; V73-V79 HydrophobicContact CG1-CG2 4.34Å; V79-C81 WeakPolarHBondContact CG1-O 3.09Å; V79-D82 HydrophobicContact CG1-CB 3.86Å; V79-I192 HydrophobicContact CG2-CD1 3.93Å; V79-I192 HydrophobicContact CG2-CG1 4.24Å; V79-I192 HydrophobicContact CG2-CG2 3.92Å
80L92.4Very high95.4Very high47 Ų4743.8 Ų43.825%0.24622%0.223CC..EExtended strand (participates in β ladder)trans-100.7-24.5172.8-60.5-178.6000112.1P30 I50 I72 D74 K78P30-L80 WeakPolarHBondContact CD-O 3.43Å; P30-L80 WeakPolarHBondContact CG-O 3.49Å; I50-L80 HydrophobicContact CG2-CD1 3.77Å; I72-L80 HydrophobicContact CG2-CB 4.4Å; I72-L80 HydrophobicContact CG2-CD1 4.38Å; I72-L80 PolarHBondContact O-N 3.43Å; D74-L80 HydrophobicContact CB-CD1 3.97Å; D74-L80 HydrophobicContact CB-CD2 4.21Å; D74-L80 HydrophobicContact CB-CG 4.11Å; K78-L80 PolarHBondContact O-N 3.21Å
81C93.1Very high95.4Very high0 Ų045.6 Ų45.60%023%0.232CC..EExtended strand (participates in β ladder)trans-156134.2178.5177.40000107.6I28 S71 I72 V79 I83 I122I28-C81 CarbonylContact O-C 3.56Å; I28-C81 WeakPolarHBondContact O-CA 3.47Å; S71-C81 CarbonylContact C-O 3.59Å; S71-C81 WeakPolarHBondContact CA-O 3.22Å; I72-C81 HydrophobicContact CB-CB 3.92Å; I72-C81 HydrophobicContact CD1-CB 4.19Å; I72-C81 HydrophobicContact CG1-CB 4.06Å; I72-C81 PolarHBondContact N-O 3.27Å; I72-C81 PolarHBondContact O-N 3.29Å; V79-C81 WeakPolarHBondContact CG1-O 3.09Å; C81-I83 WeakPolarHBondContact SG-CD1 3.38Å; C81-I122 HydrophobicContact CB-CD1 4Å
82D94.8Very high95.5Very high3 Ų348.9 Ų48.92%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-149.1106.9166.6-175.239.5000108.9N27 I28 R69 I70 S71 V79 I192N27-D82 CarbonylContact C-O 3.38Å; N27-D82 WeakPolarHBondContact CA-O 3.21Å; I28-D82 HydrophobicContact CB-CB 4.07Å; I28-D82 HydrophobicContact CG1-CB 4.45Å; I28-D82 PolarHBondContact N-O 2.87Å; I28-D82 PolarHBondContact O-N 2.91Å; R69-D82 IonicContact CZ-OD1 3.84Å; R69-D82 VanDerWaalsContact CZ-OD1 3.31Å; R69-D82 IonicContact CZ-OD2 2.89Å; R69-D82 IonicContact NE-OD1 2.76Å; R69-D82 PolarHBondContact NE-OD1 3.2Å; R69-D82 IonicContact NE-OD2 2.98Å; R69-D82 IonicContact NH2-OD1 2.78Å; R69-D82 PolarHBondContact NH2-OD1 2.84Å; R69-D82 IonicContact NH2-OD2 3.44Å; R69-D82 PolarHBondContact NH2-OD2 3.26Å; I70-D82 VanDerWaalsContact O-CA 3.32Å; I70-D82 WeakPolarHBondContact O-CA 3.47Å; S71-D82 PolarHBondContact OG-OD1 2.84Å; V79-D82 HydrophobicContact CG1-CB 3.86Å; D82-I192 HydrophobicContact CB-CD1 4.12Å; D82-I192 HydrophobicContact CB-CG1 4.46Å; D82-I192 WeakPolarHBondContact OD2-CD1 3.48Å
83I95.3Very high95.6Very high0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-135.8127.8-168.3-55.5172.6000109.8T29 R69 I70 C81 V85 M110 V115T29-I83 HydrophobicContact CG2-CD1 3.41Å; T29-I83 VanDerWaalsContact CG2-CD1 3.41Å; T29-I83 HydrophobicContact CG2-CG1 3.46Å; T29-I83 VanDerWaalsContact CG2-CG1 3.46Å; R69-I83 VanDerWaalsContact CA-O 3.28Å; R69-I83 WeakPolarHBondContact CA-O 3.39Å; R69-I83 WeakPolarHBondContact CG-O 3.45Å; I70-I83 HydrophobicContact CG2-CB 4.27Å; I70-I83 PolarHBondContact N-O 3.07Å; I70-I83 PolarHBondContact O-N 2.81Å; C81-I83 WeakPolarHBondContact SG-CD1 3.38Å; I83-V85 HydrophobicContact CG2-CG2 4.45Å; I83-M110 HydrophobicContact CG2-CB 3.74Å; I83-M110 HydrophobicContact CG2-CG 3.72Å; I83-V115 HydrophobicContact CD1-CG1 4.31Å; I83-V115 HydrophobicContact CD1-CG2 4.34Å; I83-V115 HydrophobicContact CG2-CG2 3.72Å
84I97.1Very high95.7Very high4 Ų454.2 Ų54.22%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-73.9132.1160.4-62.8-64.2000108.8N27 R69 I101 D105 M106 A109 M110N27-I84 PolarHBondContact OD1-N 3.06Å; N27-I84 VanDerWaalsContact OD1-N 3.1Å; R69-I84 HydrophobicContact CB-CD1 4.03Å; R69-I84 HydrophobicContact CG-CD1 3.94Å; I84-I101 HydrophobicContact CD1-CG1 4.29Å; I84-D105 HydrophobicContact CD1-CB 4.49Å; I84-D105 HydrophobicContact CG1-CB 4.29Å; I84-D105 HydrophobicContact CG2-CB 4.05Å; I84-M106 HydrophobicContact CG2-CE 3.52Å; I84-A109 HydrophobicContact CB-CB 4.45Å; I84-A109 HydrophobicContact CG2-CB 3.68Å; I84-A109 CarbonylContact O-C 3.58Å; I84-A109 WeakPolarHBondContact O-CA 3.16Å; I84-M110 PolarHBondContact O-N 2.88Å
85V97.7Very high95.8Very high0 Ų054.3 Ų54.30%028%0.278CS..EExtended strand (participates in β ladder)trans-111.6132.4-173-169.50000109.4L67 G68 I70 I83 P87 M110 Y112 V115L67-V85 HydrophobicContact CD2-CB 4.35Å; L67-V85 HydrophobicContact CD2-CG1 4.16Å; L67-V85 HydrophobicContact CD2-CG2 3.83Å; L67-V85 HydrophobicContact CG-CB 4.07Å; L67-V85 HydrophobicContact CG-CG1 4.22Å; L67-V85 HydrophobicContact CG-CG2 3.79Å; G68-V85 PolarHBondContact O-N 2.74Å; I70-V85 HydrophobicContact CG2-CG2 4.23Å; I83-V85 HydrophobicContact CG2-CG2 4.45Å; V85-P87 VanDerWaalsContact O-CD 3.31Å; V85-P87 WeakPolarHBondContact O-CD 3.44Å; V85-M110 WeakPolarHBondContact CA-O 3.43Å; V85-Y112 HydrophobicContact CG1-CD2 4.19Å; V85-V115 HydrophobicContact CG1-CB 4.37Å; V85-V115 HydrophobicContact CG1-CG2 4.2Å; V85-V115 HydrophobicContact CG2-CB 4.33Å; V85-V115 HydrophobicContact CG2-CG1 3.86Å; V85-V115 HydrophobicContact CG2-CG2 4.08Å
86K97.8Very high95.7Very high129 Ų12954.8 Ų54.856%0.56128%0.283SS*.EExtended strand (participates in β ladder)trans-86.9106.6165.8-174.6174.4-178176.90107.3A109 M110 Y112K86-A109 HydrophobicContact CB-CB 3.9Å; K86-M110 PolarHBondContact N-O 3.1Å; K86-Y112 WeakPolarHBondContact O-CB 3.43Å; K86-Y112 PolarHBondContact O-N 2.9Å
87P97.7Very high95.6Very high9 Ų956.6 Ų56.66%0.05829%0.289CS..  trans-68.4167.6-178.331.7-37.4000111.5V57 V59 A66 V85 I91V57-P87 HydrophobicContact CG2-CG 3.88Å; V59-P87 HydrophobicContact CG1-CB 3.98Å; V59-P87 HydrophobicContact CG1-CG 3.7Å; A66-P87 HydrophobicContact CB-CB 3.58Å; A66-P87 HydrophobicContact CB-CG 4.36Å; V85-P87 VanDerWaalsContact O-CD 3.31Å; V85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-I91 HydrophobicContact CG-CD1 4.02Å; P87-I91 HydrophobicContact CG-CG1 3.67Å
88E93.1Very high95.6Very high142 Ų14262.9 Ų62.966%0.66431%0.311SS*.SBendtrans-73.1131.6165.5-63.6-178.7167.600109.7Y112E88-Y112 HydrophobicContact CG-CD1 4.1Å; E88-Y112 HydrophobicContact CG-CG 4.46Å
89G93.7Very high95.7Very high62 Ų6256 Ų5664%0.63928%0.282SS*.SBendtrans92.1173.4-175.800000114.4
90E96.7Very high95.7Very high170 Ų17055.8 Ų55.879%0.79428%0.284SS*.  trans-81.4129.8178.1-65.1-171.1162.100110.6V59 G60 S92V59-E90 VanDerWaalsContact CA-O 3.28Å; V59-E90 WeakPolarHBondContact CA-O 3.33Å; G60-E90 PolarHBondContact N-O 3.23Å; E90-S92 PolarHBondContact O-N 3.29Å
91I98.3Very high95.8Very high38 Ų3853.6 Ų53.620%0.19527%0.273CS..EExtended strand (participates in β ladder)trans-68.8117.8173.9-60.4174.2000108.3V57 G58 V59 P87 Y94 M106V57-I91 HydrophobicContact CB-CG2 4.28Å; V57-I91 HydrophobicContact CG2-CD1 4.38Å; V57-I91 HydrophobicContact CG2-CG1 4.24Å; G58-I91 CarbonylContact O-C 3.52Å; G58-I91 WeakPolarHBondContact O-CA 2.91Å; V59-I91 HydrophobicContact CG1-CG1 4.43Å; P87-I91 HydrophobicContact CG-CD1 4.02Å; P87-I91 HydrophobicContact CG-CG1 3.67Å; I91-Y94 HydrophobicContact CB-CE1 4.43Å; I91-Y94 HydrophobicContact CD1-CD1 4.23Å; I91-Y94 HydrophobicContact CD1-CE1 3.58Å; I91-Y94 HydrophobicContact CG2-CD1 3.95Å; I91-Y94 HydrophobicContact CG2-CD2 4.15Å; I91-Y94 HydrophobicContact CG2-CE1 3.91Å; I91-Y94 HydrophobicContact CG2-CE2 4.08Å; I91-Y94 HydrophobicContact CG2-CG 4.07Å; I91-M106 HydrophobicContact CD1-CE 4.4Å; I91-M106 HydrophobicContact CD1-CG 4.4Å; I91-M106 HydrophobicContact CD1-SD 3.54Å; I91-M106 VanDerWaalsContact CD1-SD 3.54Å
92S97.8Very high95.9Very high68 Ų6857.7 Ų57.748%0.47629%0.288SS..EExtended strand (participates in β ladder)trans-94.7-26.3174.848.60000112.5G58 G60 N63 E90G58-S92 PolarHBondContact O-N 2.91Å; G58-S92 PolarHBondContact O-OG 3.32Å; G60-S92 WeakPolarHBondContact O-CB 3.5Å; G60-S92 PolarHBondContact O-OG 3.18Å; N63-S92 PolarHBondContact OD1-OG 3.42Å; E90-S92 PolarHBondContact O-N 3.29Å
93D98.5Very high96Very high64 Ų6464.4 Ų64.434%0.34232%0.32SS..EExtended strand (participates in β ladder)trans-148118.3176.3-174.90.7000110.6G58 N63 R95G58-D93 PolarHBondContact N-O 2.89Å; G58-D93 PolarHBondContact O-N 2.84Å; N63-D93 WeakPolarHBondContact OD1-CB 3.39Å; D93-R95 HydrophobicContact CB-CG 4.25Å; D93-R95 PolarHBondContact O-N 3.29Å; D93-R95 WeakPolarHBondContact OD1-CA 3.34Å; D93-R95 PolarHBondContact OD1-N 3.49Å
94Y97.9Very high96Very high48 Ų4871 Ų7119%0.18835%0.35CS..  trans-69-16.3175-72.2-81.8000113I91 T96 S99 I101 Q103 M106I91-Y94 HydrophobicContact CB-CE1 4.43Å; I91-Y94 HydrophobicContact CD1-CD1 4.23Å; I91-Y94 HydrophobicContact CD1-CE1 3.58Å; I91-Y94 HydrophobicContact CG2-CD1 3.95Å; I91-Y94 HydrophobicContact CG2-CD2 4.15Å; I91-Y94 HydrophobicContact CG2-CE1 3.91Å; I91-Y94 HydrophobicContact CG2-CE2 4.08Å; I91-Y94 HydrophobicContact CG2-CG 4.07Å; Y94-T96 WeakPolarHBondContact CB-OG1 3.41Å; Y94-T96 PolarHBondContact O-N 3.04Å; Y94-T96 VanDerWaalsContact O-N 3.13Å; Y94-S99 PolarHBondContact O-OG 3.11Å; Y94-I101 WeakPolarHBondContact CB-O 3.22Å; Y94-I101 HydrophobicContact CD1-CG2 3.88Å; Y94-Q103 HydrophobicContact CE1-CB 4.39Å; Y94-Q103 HydrophobicContact CE2-CB 3.71Å; Y94-Q103 HydrophobicContact CE2-CG 4.36Å; Y94-Q103 VanDerWaalsContact CZ-CA 3.41Å; Y94-Q103 WeakPolarHBondContact OH-CA 3.31Å; Y94-Q103 WeakPolarHBondContact OH-CG 3.3Å; Y94-M106 HydrophobicContact CE1-CE 4.22Å; Y94-M106 HydrophobicContact CE1-CG 3.87Å; Y94-M106 HydrophobicContact CE1-SD 4.2Å
95R97.5Very high95.9Very high43 Ų4371.8 Ų71.816%0.16236%0.355CS..  trans54.931.5-178.3-59.8176.4-177.7-176.1-0.8112.5M56 N63 N65 D93 K97 W98 S99M56-R95 WeakPolarHBondContact O-CD 3.09Å; N63-R95 PolarHBondContact O-NH2 3.15Å; N65-R95 VanDerWaalsContact OD1-CZ 3.23Å; N65-R95 PolarHBondContact OD1-NH1 3.38Å; N65-R95 PolarHBondContact OD1-NH2 3.1Å; D93-R95 HydrophobicContact CB-CG 4.25Å; D93-R95 PolarHBondContact O-N 3.29Å; D93-R95 WeakPolarHBondContact OD1-CA 3.34Å; D93-R95 PolarHBondContact OD1-N 3.49Å; R95-K97 PolarHBondContact O-N 3.41Å; R95-W98 HydrophobicContact CB-CE3 4.13Å; R95-W98 WeakPolarHBondContact O-CA 3.19Å; R95-W98 PolarHBondContact O-N 2.73Å; R95-S99 PolarHBondContact O-N 3.34Å; R95-S99 PolarHBondContact O-OG 3.29Å
96T95.6Very high95.8Very high41 Ų4173.8 Ų73.825%0.25236%0.364SS..Hα-helixtrans-46.7-40.5-170.2-60.40000114Y94 W98 G100 I101 R102 E188Y94-T96 WeakPolarHBondContact CB-OG1 3.41Å; Y94-T96 PolarHBondContact O-N 3.04Å; Y94-T96 VanDerWaalsContact O-N 3.13Å; T96-W98 PolarHBondContact O-N 2.75Å; T96-W98 VanDerWaalsContact O-N 3.08Å; T96-G100 WeakPolarHBondContact O-CA 3.36Å; T96-G100 PolarHBondContact O-N 3.39Å; T96-I101 WeakPolarHBondContact CB-O 3.17Å; T96-I101 PolarHBondContact OG1-O 3.34Å; T96-R102 HydrophobicContact CG2-CG 4.18Å; T96-E188 WeakPolarHBondContact O-CG 3.36Å
97K93.9Very high95.7Very high150 Ų15073 Ų7365%0.65238%0.375SS*.Hα-helixtrans-53-31.2176.9178.9179.6175.9-177.50113.3R95R95-K97 PolarHBondContact O-N 3.41Å
98W94.3Very high95.5Very high135 Ų13575 Ų7551%0.51138%0.382SS..Hα-helixtrans-105.9-55.5177-57.4-80.2000110.8R95 T96 G100 H189R95-W98 HydrophobicContact CB-CE3 4.13Å; R95-W98 WeakPolarHBondContact O-CA 3.19Å; R95-W98 PolarHBondContact O-N 2.73Å; T96-W98 PolarHBondContact O-N 2.75Å; T96-W98 VanDerWaalsContact O-N 3.08Å; W98-G100 VanDerWaalsContact C-N 3.28Å; W98-G100 PolarHBondContact O-N 3.22Å; W98-H189 WeakPolarHBondContact O-CA 3.4Å; W98-H189 WeakPolarHBondContact O-CB 3.4Å; W98-H189 PolarHBondContact O-N 2.96Å
99S94.3Very high95.6Very high1 Ų169.1 Ų69.11%0.00736%0.357CS..Hα-helixtrans-70.4-21.9-171.766.80000114.6Y94 R95 I101Y94-S99 PolarHBondContact O-OG 3.11Å; R95-S99 PolarHBondContact O-N 3.34Å; R95-S99 PolarHBondContact O-OG 3.29Å; S99-I101 PolarHBondContact O-N 2.99Å; S99-I101 VanDerWaalsContact O-N 3.16Å; S99-I101 WeakPolarHBondContact OG-CB 3.43Å; S99-I101 PolarHBondContact OG-N 2.92Å
100G92.7Very high95.7Very high18 Ų1869 Ų6919%0.18634%0.34CS..  trans67.90.1-166.900000114.5T96 W98T96-G100 WeakPolarHBondContact O-CA 3.36Å; T96-G100 PolarHBondContact O-N 3.39Å; W98-G100 VanDerWaalsContact C-N 3.28Å; W98-G100 PolarHBondContact O-N 3.22Å
101I95Very high95.7Very high1 Ų164.2 Ų64.21%0.00532%0.324CS..  trans-81.9141.8-175.8-56168.6000109.7E55 V57 G68 R69 I84 Y94 T96 S99 D105 M106E55-I101 HydrophobicContact CB-CD1 4.15Å; V57-I101 HydrophobicContact CG1-CB 4.44Å; V57-I101 HydrophobicContact CG1-CD1 3.81Å; V57-I101 HydrophobicContact CG1-CG2 4.34Å; G68-I101 VanDerWaalsContact CA-CD1 3.5Å; G68-I101 WeakPolarHBondContact O-CD1 3.37Å; R69-I101 HydrophobicContact CB-CD1 4.03Å; R69-I101 HydrophobicContact CB-CG1 4.5Å; I84-I101 HydrophobicContact CD1-CG1 4.29Å; Y94-I101 WeakPolarHBondContact CB-O 3.22Å; Y94-I101 HydrophobicContact CD1-CG2 3.88Å; T96-I101 WeakPolarHBondContact CB-O 3.17Å; T96-I101 PolarHBondContact OG1-O 3.34Å; S99-I101 PolarHBondContact O-N 2.99Å; S99-I101 VanDerWaalsContact O-N 3.16Å; S99-I101 WeakPolarHBondContact OG-CB 3.43Å; S99-I101 PolarHBondContact OG-N 2.92Å; I101-D105 HydrophobicContact CG2-CB 4.43Å; I101-M106 HydrophobicContact CG2-CE 3.89Å
102R95.4Very high95.7Very high86 Ų8663.6 Ų63.633%0.32532%0.32SS..  trans-129.1164.2177.7-56.4-176.4-156.7-49.3-8.2110.6T96 E104 D105 E188T96-R102 HydrophobicContact CG2-CG 4.18Å; R102-E104 HydrophobicContact CB-CG 3.75Å; R102-E104 PolarHBondContact O-N 2.72Å; R102-D105 PolarHBondContact N-OD2 3.48Å; R102-D105 WeakPolarHBondContact O-CB 3.34Å; R102-D105 PolarHBondContact O-N 3.45Å; R102-D105 VanDerWaalsContact O-N 3.13Å; R102-E188 IonicContact CZ-OE1 2.79Å; R102-E188 IonicContact CZ-OE2 2.82Å; R102-E188 IonicContact NH1-OE1 2.74Å; R102-E188 PolarHBondContact NH1-OE1 3.42Å; R102-E188 VanDerWaalsContact NH2-CD 3.28Å; R102-E188 IonicContact NH2-OE1 3.76Å; R102-E188 PolarHBondContact NH2-OE1 3.21Å; R102-E188 IonicContact NH2-OE2 3.67Å; R102-E188 PolarHBondContact NH2-OE2 2.86Å
103Q96.5Very high95.6Very high144 Ų14463.8 Ų63.867%0.67332%0.321SS*.G310 helixtrans-59.3-36.1175.9-179.3171.33.700112.8Y94 D105 M106Y94-Q103 HydrophobicContact CE1-CB 4.39Å; Y94-Q103 HydrophobicContact CE2-CB 3.71Å; Y94-Q103 HydrophobicContact CE2-CG 4.36Å; Y94-Q103 VanDerWaalsContact CZ-CA 3.41Å; Y94-Q103 WeakPolarHBondContact OH-CA 3.31Å; Y94-Q103 WeakPolarHBondContact OH-CG 3.3Å; Q103-D105 PolarHBondContact O-N 2.85Å; Q103-M106 VanDerWaalsContact O-CB 3.23Å; Q103-M106 WeakPolarHBondContact O-CB 3.29Å; Q103-M106 WeakPolarHBondContact O-CG 3.42Å; Q103-M106 PolarHBondContact O-N 2.87Å
104E95.4Very high95.4Very high137 Ų13765.6 Ų65.664%0.6432%0.324SS*.G310 helixtrans-60.8-30.6176.559.3-165.2-149.300113.3R102 M106 S107R102-E104 HydrophobicContact CB-CG 3.75Å; R102-E104 PolarHBondContact O-N 2.72Å; E104-M106 PolarHBondContact O-N 2.8Å; E104-S107 WeakPolarHBondContact O-CB 3.41Å; E104-S107 PolarHBondContact O-N 3.01Å; E104-S107 PolarHBondContact O-OG 2.88Å
105D94.8Very high95.3Very high22 Ų2263.3 Ų63.312%0.11832%0.315CS..G310 helixtrans-64-21175.1-64.2-57.4000112.6I84 I101 R102 Q103 S107 R108 A109I84-D105 HydrophobicContact CD1-CB 4.49Å; I84-D105 HydrophobicContact CG1-CB 4.29Å; I84-D105 HydrophobicContact CG2-CB 4.05Å; I101-D105 HydrophobicContact CG2-CB 4.43Å; R102-D105 PolarHBondContact N-OD2 3.48Å; R102-D105 WeakPolarHBondContact O-CB 3.34Å; R102-D105 PolarHBondContact O-N 3.45Å; R102-D105 VanDerWaalsContact O-N 3.13Å; Q103-D105 PolarHBondContact O-N 2.85Å; D105-S107 PolarHBondContact O-N 3.1Å; D105-R108 WeakPolarHBondContact O-CG 3.44Å; D105-R108 PolarHBondContact O-N 3.37Å; D105-R108 VanDerWaalsContact O-N 3.09Å; D105-R108 IonicContact OD1-CZ 3.52Å; D105-R108 IonicContact OD1-NE 3.42Å; D105-R108 PolarHBondContact OD1-NE 3.41Å; D105-R108 IonicContact OD1-NH2 2.76Å; D105-R108 PolarHBondContact OD1-NH2 2.96Å; D105-A109 PolarHBondContact O-N 3.23Å
106M95.4Very high95.2Very high42 Ų4263.6 Ų63.621%0.20732%0.318CS..G310 helixtrans-65.7-19.2178.7-61-60.1100.400112.9I84 I91 Y94 I101 Q103 E104 R108 A109I84-M106 HydrophobicContact CG2-CE 3.52Å; I91-M106 HydrophobicContact CD1-CE 4.4Å; I91-M106 HydrophobicContact CD1-CG 4.4Å; I91-M106 HydrophobicContact CD1-SD 3.54Å; I91-M106 VanDerWaalsContact CD1-SD 3.54Å; Y94-M106 HydrophobicContact CE1-CE 4.22Å; Y94-M106 HydrophobicContact CE1-CG 3.87Å; Y94-M106 HydrophobicContact CE1-SD 4.2Å; I101-M106 HydrophobicContact CG2-CE 3.89Å; Q103-M106 VanDerWaalsContact O-CB 3.23Å; Q103-M106 WeakPolarHBondContact O-CB 3.29Å; Q103-M106 WeakPolarHBondContact O-CG 3.42Å; Q103-M106 PolarHBondContact O-N 2.87Å; E104-M106 PolarHBondContact O-N 2.8Å; M106-R108 PolarHBondContact O-N 3.49Å; M106-A109 HydrophobicContact CE-CB 4.06Å; M106-A109 PolarHBondContact O-N 2.99Å; M106-A109 HydrophobicContact SD-CB 4.05Å
107S94.6Very high95.2Very high113 Ų11366.4 Ų66.479%0.7933%0.328SS*.G310 helixtrans-62.4-26.5172.762.70000113.6E104 D105E104-S107 WeakPolarHBondContact O-CB 3.41Å; E104-S107 PolarHBondContact O-N 3.01Å; E104-S107 PolarHBondContact O-OG 2.88Å; D105-S107 PolarHBondContact O-N 3.1Å
108R94Very high95.1Very high51 Ų5159.8 Ų59.819%0.19230%0.3CS..G310 helixtrans-116.25.6179.163.7178.4-180106.1-2.5113H24 E25 N27 D105 M106H24-R108 PolarHBondContact O-NH1 3.17Å; H24-R108 PolarHBondContact O-NH2 3.24Å; E25-R108 WeakPolarHBondContact O-CD 3.26Å; E25-R108 PolarHBondContact O-NE 3.34Å; N27-R108 PolarHBondContact ND2-O 2.94Å; N27-R108 PolarHBondContact OD1-NH1 2.91Å; N27-R108 VanDerWaalsContact OD1-NH1 3.09Å; D105-R108 WeakPolarHBondContact O-CG 3.44Å; D105-R108 PolarHBondContact O-N 3.37Å; D105-R108 VanDerWaalsContact O-N 3.09Å; D105-R108 IonicContact OD1-CZ 3.52Å; D105-R108 IonicContact OD1-NE 3.42Å; D105-R108 PolarHBondContact OD1-NE 3.41Å; D105-R108 IonicContact OD1-NH2 2.76Å; D105-R108 PolarHBondContact OD1-NH2 2.96Å; M106-R108 PolarHBondContact O-N 3.49Å
109A95.6Very high95.1Very high18 Ų1853.4 Ų53.415%0.14928%0.275CS..PPolyproline II helixtrans-69.7135.1-176.900000111.7I84 K86 D105 M106I84-A109 HydrophobicContact CB-CB 4.45Å; I84-A109 HydrophobicContact CG2-CB 3.68Å; I84-A109 CarbonylContact O-C 3.58Å; I84-A109 WeakPolarHBondContact O-CA 3.16Å; K86-A109 HydrophobicContact CB-CB 3.9Å; D105-A109 PolarHBondContact O-N 3.23Å; M106-A109 HydrophobicContact CE-CB 4.06Å; M106-A109 PolarHBondContact O-N 2.99Å; M106-A109 HydrophobicContact SD-CB 4.05Å
110M96.1Very high95.2Very high58 Ų5858.9 Ų58.929%0.28630%0.301SS..EExtended strand (participates in β ladder)trans-87.9145.1175.1-64.3-60.3-71.700110.8I83 I84 V85 K86 Y112 Y114 V115I83-M110 HydrophobicContact CG2-CB 3.74Å; I83-M110 HydrophobicContact CG2-CG 3.72Å; I84-M110 PolarHBondContact O-N 2.88Å; V85-M110 WeakPolarHBondContact CA-O 3.43Å; K86-M110 PolarHBondContact N-O 3.1Å; M110-Y112 PolarHBondContact O-N 3.34Å; M110-Y114 HydrophobicContact CB-CD1 4.34Å; M110-Y114 HydrophobicContact CE-CD1 3.61Å; M110-Y114 HydrophobicContact CE-CE1 3.54Å; M110-Y114 HydrophobicContact CE-CG 4.23Å; M110-V115 HydrophobicContact CB-CG2 3.67Å
111P96.9Very high95.1Very high70 Ų7061.7 Ų61.746%0.45531%0.308SS..EExtended strand (participates in β ladder)trans-58.2137.1177.2-23.533.6000112.2S113 Y114 V115P111-S113 VanDerWaalsContact C-N 3.3Å; P111-S113 PolarHBondContact O-N 3.16Å; P111-Y114 WeakPolarHBondContact O-CB 3.42Å; P111-Y114 PolarHBondContact O-N 3.48Å; P111-Y114 VanDerWaalsContact O-N 3.08Å; P111-V115 PolarHBondContact O-N 3.08Å
112Y97.8Very high95Very high25 Ų2562.4 Ų62.410%0.09831%0.312CS..Hα-helixtrans-46.8-48.8179173.2-97.7000113.8L67 V85 K86 E88 M110 Y114 V115 Q116 V139 L140L67-Y112 HydrophobicContact CB-CD2 4.23Å; L67-Y112 HydrophobicContact CB-CE2 4.2Å; L67-Y112 HydrophobicContact CD2-CD2 4.34Å; L67-Y112 HydrophobicContact CD2-CE2 4.27Å; V85-Y112 HydrophobicContact CG1-CD2 4.19Å; K86-Y112 WeakPolarHBondContact O-CB 3.43Å; K86-Y112 PolarHBondContact O-N 2.9Å; E88-Y112 HydrophobicContact CG-CD1 4.1Å; E88-Y112 HydrophobicContact CG-CG 4.46Å; M110-Y112 PolarHBondContact O-N 3.34Å; Y112-Y114 VanDerWaalsContact C-N 3.32Å; Y112-Y114 PolarHBondContact O-N 3.18Å; Y112-V115 PolarHBondContact O-N 3.37Å; Y112-V115 VanDerWaalsContact O-N 3.15Å; Y112-Q116 HydrophobicContact CE1-CB 4.34Å; Y112-Q116 HydrophobicContact CE1-CG 4.49Å; Y112-Q116 WeakPolarHBondContact O-CB 3.43Å; Y112-Q116 PolarHBondContact O-N 2.92Å; Y112-Q116 PolarHBondContact OH-NE2 3.11Å; Y112-Q116 VanDerWaalsContact OH-NE2 3.14Å; Y112-V139 WeakPolarHBondContact CE2-O 3.03Å; Y112-V139 PolarHBondContact OH-O 2.65Å; Y112-L140 PolarHBondContact OH-O 3.12Å
113S96.2Very high95Very high72 Ų7258.7 Ų58.750%0.50330%0.298SS..Hα-helixtrans-59.4-40.2-178.554.20000113.2P111 Q116 E117P111-S113 VanDerWaalsContact C-N 3.3Å; P111-S113 PolarHBondContact O-N 3.16Å; S113-Q116 PolarHBondContact O-N 3.2Å; S113-E117 PolarHBondContact O-N 2.87Å; S113-E117 VanDerWaalsContact O-N 3.07Å
114Y94.6Very high94.8Very high102 Ų10256.6 Ų56.640%0.429%0.288SS..Hα-helixtrans-64.2-46.3175.9175.1-90.3000111.4M110 P111 Y112 Q116 E117 H118M110-Y114 HydrophobicContact CB-CD1 4.34Å; M110-Y114 HydrophobicContact CE-CD1 3.61Å; M110-Y114 HydrophobicContact CE-CE1 3.54Å; M110-Y114 HydrophobicContact CE-CG 4.23Å; P111-Y114 WeakPolarHBondContact O-CB 3.42Å; P111-Y114 PolarHBondContact O-N 3.48Å; P111-Y114 VanDerWaalsContact O-N 3.08Å; Y112-Y114 VanDerWaalsContact C-N 3.32Å; Y112-Y114 PolarHBondContact O-N 3.18Å; Y114-Q116 VanDerWaalsContact C-N 3.33Å; Y114-Q116 PolarHBondContact O-N 3.46Å; Y114-E117 PolarHBondContact O-N 3.36Å; Y114-H118 WeakPolarHBondContact O-CB 3.19Å; Y114-H118 PolarHBondContact O-N 2.88Å
115V95.4Very high94.7Very high0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-64.4-41.8179.4179.60000110.4L67 I70 I83 V85 M110 P111 Y112 H118 V119L67-V115 HydrophobicContact CD2-CG1 4.36Å; I70-V115 HydrophobicContact CG2-CG1 3.62Å; I83-V115 HydrophobicContact CD1-CG1 4.31Å; I83-V115 HydrophobicContact CD1-CG2 4.34Å; I83-V115 HydrophobicContact CG2-CG2 3.72Å; V85-V115 HydrophobicContact CG1-CB 4.37Å; V85-V115 HydrophobicContact CG1-CG2 4.2Å; V85-V115 HydrophobicContact CG2-CB 4.33Å; V85-V115 HydrophobicContact CG2-CG1 3.86Å; V85-V115 HydrophobicContact CG2-CG2 4.08Å; M110-V115 HydrophobicContact CB-CG2 3.67Å; P111-V115 PolarHBondContact O-N 3.08Å; Y112-V115 PolarHBondContact O-N 3.37Å; Y112-V115 VanDerWaalsContact O-N 3.15Å; V115-H118 PolarHBondContact O-N 3.41Å; V115-V119 HydrophobicContact CG1-CG2 4.09Å; V115-V119 WeakPolarHBondContact O-CB 3.42Å; V115-V119 WeakPolarHBondContact O-CG2 3.49Å; V115-V119 PolarHBondContact O-N 3.47Å
116Q95.8Very high94.7Very high49 Ų4954.8 Ų54.823%0.22928%0.28CS..Hα-helixtrans-59-52177.8-167.7-171.638.500111.2Y112 S113 Y114 H118 V119 E120 L140 M142Y112-Q116 HydrophobicContact CE1-CB 4.34Å; Y112-Q116 HydrophobicContact CE1-CG 4.49Å; Y112-Q116 WeakPolarHBondContact O-CB 3.43Å; Y112-Q116 PolarHBondContact O-N 2.92Å; Y112-Q116 PolarHBondContact OH-NE2 3.11Å; Y112-Q116 VanDerWaalsContact OH-NE2 3.14Å; S113-Q116 PolarHBondContact O-N 3.2Å; Y114-Q116 VanDerWaalsContact C-N 3.33Å; Y114-Q116 PolarHBondContact O-N 3.46Å; Q116-H118 VanDerWaalsContact C-N 3.3Å; Q116-H118 PolarHBondContact O-N 2.81Å; Q116-V119 PolarHBondContact O-N 3.04Å; Q116-E120 WeakPolarHBondContact O-CB 3.37Å; Q116-E120 PolarHBondContact O-N 2.81Å; Q116-L140 PolarHBondContact NE2-O 3.47Å; Q116-M142 HydrophobicContact CB-CE 4.31Å; Q116-M142 HydrophobicContact CG-CE 3.47Å; Q116-M142 VanDerWaalsContact CG-CE 3.47Å; Q116-M142 WeakPolarHBondContact O-CE 3.5Å
117E94.2Very high94.7Very high100 Ų10053.4 Ų53.447%0.46727%0.274SS..Hα-helixtrans-60.1-41.3178.1-171.4-168.6156.700111.6S113 Y114 E120 K121S113-E117 PolarHBondContact O-N 2.87Å; S113-E117 VanDerWaalsContact O-N 3.07Å; Y114-E117 PolarHBondContact O-N 3.36Å; E117-E120 PolarHBondContact O-N 3.01Å; E117-K121 WeakPolarHBondContact O-CG 3.39Å; E117-K121 PolarHBondContact O-N 3.5Å; E117-K121 VanDerWaalsContact OE1-CE 3.3Å; E117-K121 WeakPolarHBondContact OE1-CE 3.34Å; E117-K121 IonicContact OE1-NZ 2.65Å; E117-K121 PolarHBondContact OE1-NZ 3.27Å
118H92.4Very high94.9Very high12 Ų1248 Ų486%0.05624%0.236CC..Hα-helixtrans-64.3-45.1178.6-176.281.2000112.1Y114 V115 Q116 K121 I122Y114-H118 WeakPolarHBondContact O-CB 3.19Å; Y114-H118 PolarHBondContact O-N 2.88Å; V115-H118 PolarHBondContact O-N 3.41Å; Q116-H118 VanDerWaalsContact C-N 3.3Å; Q116-H118 PolarHBondContact O-N 2.81Å; H118-K121 PolarHBondContact O-N 3.24Å; H118-I122 WeakPolarHBondContact NE2-CD1 3.37Å; H118-I122 WeakPolarHBondContact O-CG1 3.4Å; H118-I122 PolarHBondContact O-N 2.89Å; H118-I122 VanDerWaalsContact O-N 3.17Å
119V95.2Very high95.2Very high0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-64.9-42.1178.3170.20000110.9L52 I70 I72 V115 Q116 K121 I122 I123 L140 M142L52-V119 HydrophobicContact CD1-CG1 4.16Å; I70-V119 HydrophobicContact CD1-CB 4.37Å; I70-V119 HydrophobicContact CD1-CG1 3.91Å; I70-V119 HydrophobicContact CD1-CG2 3.52Å; I70-V119 HydrophobicContact CG1-CG2 4.48Å; I70-V119 HydrophobicContact CG2-CG2 4.39Å; I72-V119 HydrophobicContact CD1-CG1 4.21Å; I72-V119 HydrophobicContact CD1-CG2 4.3Å; V115-V119 HydrophobicContact CG1-CG2 4.09Å; V115-V119 WeakPolarHBondContact O-CB 3.42Å; V115-V119 WeakPolarHBondContact O-CG2 3.49Å; V115-V119 PolarHBondContact O-N 3.47Å; Q116-V119 PolarHBondContact O-N 3.04Å; V119-K121 VanDerWaalsContact C-N 3.28Å; V119-K121 PolarHBondContact O-N 3.05Å; V119-I122 PolarHBondContact O-N 3.08Å; V119-I122 VanDerWaalsContact O-N 3.1Å; V119-I123 HydrophobicContact CG1-CG2 4.16Å; V119-I123 WeakPolarHBondContact O-CG1 3.18Å; V119-I123 WeakPolarHBondContact O-CG2 3.11Å; V119-I123 PolarHBondContact O-N 3.27Å; V119-L140 HydrophobicContact CG1-CD1 4.25Å; V119-L140 HydrophobicContact CG1-CD2 4.16Å; V119-M142 HydrophobicContact CB-CE 4.03Å; V119-M142 HydrophobicContact CG1-CE 3.98Å; V119-M142 HydrophobicContact CG1-SD 4.08Å
120E94.6Very high95.3Very high116 Ų11644.7 Ų44.754%0.54222%0.22SC..Hα-helixtrans-56.6-44.7177.8-174.4171.2-160.700111.2Q116 E117 I122 I123 H124 M142Q116-E120 WeakPolarHBondContact O-CB 3.37Å; Q116-E120 PolarHBondContact O-N 2.81Å; E117-E120 PolarHBondContact O-N 3.01Å; E120-I122 PolarHBondContact O-N 2.93Å; E120-I123 PolarHBondContact O-N 3.09Å; E120-H124 WeakPolarHBondContact O-CB 3.44Å; E120-H124 PolarHBondContact O-N 2.8Å; E120-M142 HydrophobicContact CB-CE 3.88Å
121K92.5Very high95.4Very high78 Ų7842.7 Ų42.734%0.33921%0.21SC..Hα-helixtrans-64.6-38.8177.2-65.5171.7-176.8168.20112.7F32 L37 E117 H118 V119F32-K121 HydrophobicContact CD1-CD 4.2Å; F32-K121 HydrophobicContact CE1-CB 3.86Å; F32-K121 HydrophobicContact CE1-CD 3.7Å; F32-K121 HydrophobicContact CE1-CG 4.31Å; F32-K121 HydrophobicContact CE2-CB 3.92Å; F32-K121 HydrophobicContact CZ-CB 3.35Å; F32-K121 HydrophobicContact CZ-CD 4.11Å; F32-K121 HydrophobicContact CZ-CG 4.27Å; L37-K121 WeakPolarHBondContact CD2-O 3.4Å; E117-K121 WeakPolarHBondContact O-CG 3.39Å; E117-K121 PolarHBondContact O-N 3.5Å; E117-K121 VanDerWaalsContact OE1-CE 3.3Å; E117-K121 WeakPolarHBondContact OE1-CE 3.34Å; E117-K121 IonicContact OE1-NZ 2.65Å; E117-K121 PolarHBondContact OE1-NZ 3.27Å; H118-K121 PolarHBondContact O-N 3.24Å; V119-K121 VanDerWaalsContact C-N 3.28Å; V119-K121 PolarHBondContact O-N 3.05Å
122I93Very high95.5Very high15 Ų1542 Ų428%0.07720%0.201CC..Hα-helixtrans-65.5-45.6178-68.6168.7000111.1F32 I50 I72 C81 H118 V119 E120 R126F32-I122 HydrophobicContact CD2-CG1 4.18Å; F32-I122 HydrophobicContact CE2-CG1 3.88Å; I50-I122 HydrophobicContact CD1-CG2 4.03Å; I72-I122 HydrophobicContact CD1-CB 4.26Å; I72-I122 HydrophobicContact CD1-CD1 4.16Å; I72-I122 HydrophobicContact CD1-CG2 3.85Å; I72-I122 HydrophobicContact CG2-CG2 4.12Å; C81-I122 HydrophobicContact CB-CD1 4Å; H118-I122 WeakPolarHBondContact NE2-CD1 3.37Å; H118-I122 WeakPolarHBondContact O-CG1 3.4Å; H118-I122 PolarHBondContact O-N 2.89Å; H118-I122 VanDerWaalsContact O-N 3.17Å; V119-I122 PolarHBondContact O-N 3.08Å; V119-I122 VanDerWaalsContact O-N 3.1Å; E120-I122 PolarHBondContact O-N 2.93Å; I122-R126 WeakPolarHBondContact O-CD 3.46Å; I122-R126 PolarHBondContact O-NE 2.93Å; I122-R126 VanDerWaalsContact O-NE 3.13Å
123I94.4Very high95.5Very high8 Ų840.9 Ų40.94%0.04120%0.197CC..Hα-helixtrans-83.7-14.2-173.574.7176.9000113.3I50 L52 I72 V119 E120 N125 R126 V128 F137 M142 H144I50-I123 HydrophobicContact CD1-CB 4.21Å; I50-I123 HydrophobicContact CD1-CG2 3.66Å; L52-I123 HydrophobicContact CD1-CG2 4.43Å; I72-I123 HydrophobicContact CD1-CG2 4.37Å; V119-I123 HydrophobicContact CG1-CG2 4.16Å; V119-I123 WeakPolarHBondContact O-CG1 3.18Å; V119-I123 WeakPolarHBondContact O-CG2 3.11Å; V119-I123 PolarHBondContact O-N 3.27Å; E120-I123 PolarHBondContact O-N 3.09Å; I123-N125 PolarHBondContact O-N 2.72Å; I123-R126 PolarHBondContact O-N 3.43Å; I123-V128 HydrophobicContact CB-CG2 3.86Å; I123-V128 HydrophobicContact CG2-CG2 4.13Å; I123-F137 HydrophobicContact CD1-CE1 4.3Å; I123-M142 HydrophobicContact CD1-SD 3.81Å; I123-H144 PolarHBondContact O-CE1 2.78Å; I123-H144 VanDerWaalsContact O-CE1 3.31Å
124H92.9Very high95.6Very high101 Ų10145 Ų4547%0.46821%0.205SC..THydrogen-bonded Turntrans-52.2123.2-176.6180-100.4000112M41 E120 R126M41-H124 HydrophobicContact CE-CB 4.31Å; M41-H124 VanDerWaalsContact CE-ND1 3.32Å; M41-H124 WeakPolarHBondContact CE-ND1 3.5Å; E120-H124 WeakPolarHBondContact O-CB 3.44Å; E120-H124 PolarHBondContact O-N 2.8Å; H124-R126 WeakPolarHBondContact O-CG 3.36Å; H124-R126 PolarHBondContact O-N 2.92Å; H124-R126 VanDerWaalsContact O-N 3.17Å
125N91.6Very high95.7Very high87 Ų8744.5 Ų44.547%0.46521%0.21SC..THydrogen-bonded Turntrans55.426.1-178.9-16038.9000114.9I123I123-N125 PolarHBondContact O-N 2.72Å
126R94.7Very high95.9Very high33 Ų3344.8 Ų44.813%0.12521%0.211CC..EExtended strand (participates in β ladder)trans-111.2152176.3-51.7-154.1-179-141-11.1111.9E40 L47 I50 I122 I123 H124 V128 H144E40-R126 IonicContact OE2-CZ 3.64Å; E40-R126 IonicContact OE2-NH2 2.87Å; E40-R126 PolarHBondContact OE2-NH2 2.82Å; L47-R126 HydrophobicContact CB-CB 4.44Å; L47-R126 HydrophobicContact CB-CG 3.72Å; L47-R126 HydrophobicContact CD1-CG 3.73Å; L47-R126 HydrophobicContact CG-CG 4.35Å; I50-R126 HydrophobicContact CG1-CB 4.44Å; I122-R126 WeakPolarHBondContact O-CD 3.46Å; I122-R126 PolarHBondContact O-NE 2.93Å; I122-R126 VanDerWaalsContact O-NE 3.13Å; I123-R126 PolarHBondContact O-N 3.43Å; H124-R126 WeakPolarHBondContact O-CG 3.36Å; H124-R126 PolarHBondContact O-N 2.92Å; H124-R126 VanDerWaalsContact O-N 3.17Å; R126-V128 PolarHBondContact O-N 3.33Å; R126-H144 PolarHBondContact O-CE1 2.84Å; R126-H144 PolarHBondContact O-NE2 2.78Å
127I97.3Very high96Very high13 Ų1343.5 Ų43.57%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-68124164-66.9173.9000108.3P49 I50 V129 L148 R150P49-I127 WeakPolarHBondContact CA-O 3.4Å; P49-I127 HydrophobicContact CB-CB 4.07Å; P49-I127 HydrophobicContact CB-CG2 4.09Å; P49-I127 HydrophobicContact CG-CB 4.19Å; P49-I127 HydrophobicContact CG-CD1 4.43Å; P49-I127 HydrophobicContact CG-CG2 4.4Å; I50-I127 PolarHBondContact N-O 3.16Å; I127-V129 HydrophobicContact CG2-CG2 4.29Å; I127-L148 CarbonylContact C-O 3.49Å; I127-L148 VanDerWaalsContact CA-O 3.27Å; I127-L148 WeakPolarHBondContact CA-O 3.36Å; I127-L148 HydrophobicContact CG1-CD2 4.09Å; I127-R150 HydrophobicContact CG2-CB 4.16Å; I127-R150 HydrophobicContact CG2-CG 3.82Å
128V98.5Very high96.2Very high0 Ų042.1 Ų42.10%021%0.211CC..EExtended strand (participates in β ladder)trans-105.9114.3175.7179.60000109.2I50 L52 I123 R126 L133 F137 H144 L148 R150I50-V128 HydrophobicContact CD1-CG2 4.23Å; I50-V128 HydrophobicContact CG1-CG2 4.32Å; L52-V128 HydrophobicContact CB-CG1 4.28Å; I123-V128 HydrophobicContact CB-CG2 3.86Å; I123-V128 HydrophobicContact CG2-CG2 4.13Å; R126-V128 PolarHBondContact O-N 3.33Å; V128-L133 HydrophobicContact CG1-CD1 4.22Å; V128-L133 HydrophobicContact CG1-CD2 4.23Å; V128-F137 HydrophobicContact CB-CZ 4.3Å; V128-F137 HydrophobicContact CG1-CE1 4.5Å; V128-F137 HydrophobicContact CG1-CZ 3.94Å; V128-H144 WeakPolarHBondContact CG2-NE2 3.28Å; V128-L148 PolarHBondContact N-O 2.63Å; V128-R150 PolarHBondContact O-N 3.37Å
129V98.8Very high96.5Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-92.7146.2174.9-178.80000109.4P49 I50 A51 L52 I127 R150 T152 M199 Y202P49-V129 HydrophobicContact CB-CG2 4.3Å; I50-V129 WeakPolarHBondContact O-CB 3.47Å; I50-V129 PolarHBondContact O-N 3.37Å; A51-V129 VanDerWaalsContact CA-O 3.22Å; A51-V129 WeakPolarHBondContact CA-O 3.22Å; A51-V129 HydrophobicContact CB-CB 4.02Å; A51-V129 HydrophobicContact CB-CG1 4.35Å; L52-V129 PolarHBondContact N-O 2.94Å; I127-V129 HydrophobicContact CG2-CG2 4.29Å; V129-R150 WeakPolarHBondContact CA-O 3.37Å; V129-R150 HydrophobicContact CB-CB 4.28Å; V129-R150 HydrophobicContact CG2-CB 3.79Å; V129-R150 HydrophobicContact CG2-CG 4.5Å; V129-T152 HydrophobicContact CG1-CG2 4.38Å; V129-M199 HydrophobicContact CB-CE 4.3Å; V129-M199 HydrophobicContact CG2-CE 4.09Å; V129-M199 HydrophobicContact CG2-SD 4.43Å; V129-Y202 HydrophobicContact CG1-CG 4.03Å; V129-Y202 HydrophobicContact CG2-CD1 3.67Å; V129-Y202 HydrophobicContact CG2-CD2 4.12Å; V129-Y202 HydrophobicContact CG2-CE1 4.08Å; V129-Y202 HydrophobicContact CG2-CG 3.68Å
130G98.7Very high96.6Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-177.8-165.8172.500000111.6R150 T152G130-R150 PolarHBondContact N-O 3.09Å; G130-R150 VanDerWaalsContact N-O 3.09Å; G130-T152 PolarHBondContact O-N 3.43Å; G130-T152 PolarHBondContact O-OG1 3.38Å
131H98.7Very high96.7Very high16 Ų1643 Ų437%0.07422%0.22CC..SBendtrans-136111.3179.2-165.888.2000110.1T152 I170 L172H131-T152 PolarHBondContact ND1-OG1 3.37Å; H131-I170 PolarHBondContact CE1-O 3.31Å; H131-I170 PolarHBondContact NE2-O 3.32Å; H131-L172 HydrophobicContact CB-CB 4.35Å; H131-L172 HydrophobicContact CB-CD1 3.97Å; H131-L172 HydrophobicContact CB-CD2 4.32Å; H131-L172 HydrophobicContact CB-CG 4.44Å; H131-L172 PolarHBondContact NE2-N 2.78Å; H131-L172 VanDerWaalsContact NE2-N 3.18Å
132M97.7Very high97Very high55 Ų5540.5 Ų40.527%0.27121%0.21SC..SBendtrans66.735.1-170.4-52.7-176.917800114.6K134 N135 D151 C153 Q169M132-K134 PolarHBondContact O-N 2.84Å; M132-N135 PolarHBondContact O-N 3.03Å; M132-D151 PolarHBondContact N-OD1 2.73Å; M132-C153 HydrophobicContact CG-CB 3.79Å; M132-Q169 HydrophobicContact CE-CB 4.32Å
133L98.4Very high97.1Very high1 Ų149.8 Ų49.81%0.00525%0.25CC..THydrogen-bonded Turntrans-46.8-17.3-178.2-77.3173.6000116.8L52 V128 N135 D136 F137 V149 D151L52-L133 HydrophobicContact CD2-CD2 4.37Å; V128-L133 HydrophobicContact CG1-CD1 4.22Å; V128-L133 HydrophobicContact CG1-CD2 4.23Å; L133-N135 PolarHBondContact O-N 2.92Å; L133-D136 VanDerWaalsContact CA-OD2 3.27Å; L133-D136 WeakPolarHBondContact CA-OD2 3.47Å; L133-D136 HydrophobicContact CD2-CB 4.43Å; L133-D136 PolarHBondContact O-N 2.82Å; L133-F137 HydrophobicContact CB-CD2 4.07Å; L133-F137 HydrophobicContact CB-CE2 3.87Å; L133-F137 HydrophobicContact CD1-CE2 4.28Å; L133-F137 HydrophobicContact CG-CE2 4.47Å; L133-F137 WeakPolarHBondContact O-CB 3.38Å; L133-F137 WeakPolarHBondContact O-CD2 3.27Å; L133-F137 WeakPolarHBondContact O-CG 3.49Å; L133-F137 PolarHBondContact O-N 2.79Å; L133-V149 HydrophobicContact CD1-CG1 3.75Å; L133-D151 HydrophobicContact CD1-CB 4.3Å; L133-D151 PolarHBondContact N-OD2 3.05Å
134K97.8Very high97.2Very high158 Ų15850.6 Ų50.669%0.68725%0.253SS*.Hα-helixtrans-57.5-37.3172-175.7-175.8175.3-171.30111.3M132 A138M132-K134 PolarHBondContact O-N 2.84Å; K134-A138 VanDerWaalsContact O-CB 3.3Å; K134-A138 WeakPolarHBondContact O-CB 3.2Å; K134-A138 PolarHBondContact O-N 3.37Å; K134-A138 VanDerWaalsContact O-N 3.13Å
135N98.1Very high97.3Very high92 Ų9248.4 Ų48.449%0.49225%0.248SC..Hα-helixtrans-71.1-45.7-178.7-63.3-19.1000110.6M132 L133 A138 V139M132-N135 PolarHBondContact O-N 3.03Å; L133-N135 PolarHBondContact O-N 2.92Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 2.94Å; N135-V139 PolarHBondContact O-N 2.82Å
136D98.6Very high97.5Very high6 Ų649.7 Ų49.73%0.03226%0.261CS..Hα-helixtrans-61.2-50.4178-50.1-96.1000111.4L52 C54 L133 A138 V139 L140L52-D136 HydrophobicContact CD2-CB 3.67Å; C54-D136 HydrophobicContact CB-CB 4.41Å; C54-D136 WeakPolarHBondContact CB-OD1 3.21Å; C54-D136 PolarHBondContact N-OD1 2.81Å; L133-D136 VanDerWaalsContact CA-OD2 3.27Å; L133-D136 WeakPolarHBondContact CA-OD2 3.47Å; L133-D136 HydrophobicContact CD2-CB 4.43Å; L133-D136 PolarHBondContact O-N 2.82Å; D136-A138 PolarHBondContact O-N 2.68Å; D136-V139 VanDerWaalsContact O-CG2 3.24Å; D136-V139 WeakPolarHBondContact O-CG2 2.91Å; D136-V139 PolarHBondContact O-N 3.43Å; D136-L140 WeakPolarHBondContact O-CB 3.26Å; D136-L140 WeakPolarHBondContact O-CG 3.2Å; D136-L140 PolarHBondContact O-N 2.79Å
137F98.5Very high97.5Very high23 Ų2354.5 Ų54.510%0.10129%0.285CS..Hα-helixtrans-64.6-27.8177.7-70.2-45.2000113.1I123 V128 L133 N141 M142 H144 V149I123-F137 HydrophobicContact CD1-CE1 4.3Å; V128-F137 HydrophobicContact CB-CZ 4.3Å; V128-F137 HydrophobicContact CG1-CE1 4.5Å; V128-F137 HydrophobicContact CG1-CZ 3.94Å; L133-F137 HydrophobicContact CB-CD2 4.07Å; L133-F137 HydrophobicContact CB-CE2 3.87Å; L133-F137 HydrophobicContact CD1-CE2 4.28Å; L133-F137 HydrophobicContact CG-CE2 4.47Å; L133-F137 WeakPolarHBondContact O-CB 3.38Å; L133-F137 WeakPolarHBondContact O-CD2 3.27Å; L133-F137 WeakPolarHBondContact O-CG 3.49Å; L133-F137 PolarHBondContact O-N 2.79Å; F137-N141 PolarHBondContact O-N 2.88Å; F137-N141 VanDerWaalsContact O-N 3.13Å; F137-M142 HydrophobicContact CD1-CB 4.38Å; F137-M142 PolarHBondContact O-N 2.79Å; F137-H144 HydrophobicContact CE1-CB 3.91Å; F137-H144 HydrophobicContact CE2-CB 3.99Å; F137-H144 HydrophobicContact CZ-CB 3.55Å; F137-V149 HydrophobicContact CE2-CG2 4.03Å; F137-V149 HydrophobicContact CZ-CG2 4.47Å
138A98.2Very high97.4Very high71 Ų7154.4 Ų54.459%0.58729%0.285SS*.Hα-helixtrans-68-46.1175.300000111.7K134 N135 D136 L140 N141K134-A138 VanDerWaalsContact O-CB 3.3Å; K134-A138 WeakPolarHBondContact O-CB 3.2Å; K134-A138 PolarHBondContact O-N 3.37Å; K134-A138 VanDerWaalsContact O-N 3.13Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 2.94Å; D136-A138 PolarHBondContact O-N 2.68Å; A138-L140 VanDerWaalsContact C-N 3.31Å; A138-L140 PolarHBondContact O-N 3.18Å; A138-N141 PolarHBondContact O-N 3.45Å; A138-N141 VanDerWaalsContact O-N 3.15Å
139V98.2Very high97.4Very high16 Ų1656 Ų5610%0.09729%0.294CS..Hα-helixtrans-75.3-20.3178.7-62.30000113.6C54 M56 N65 L67 Y112 N135 D136 N141C54-V139 HydrophobicContact CB-CG2 4.31Å; M56-V139 HydrophobicContact CE-CG1 4.37Å; M56-V139 HydrophobicContact CE-CG2 3.65Å; M56-V139 HydrophobicContact CG-CG1 3.84Å; M56-V139 HydrophobicContact CG-CG2 4.36Å; N65-V139 HydrophobicContact CB-CG1 4.03Å; L67-V139 HydrophobicContact CB-CB 4.32Å; L67-V139 HydrophobicContact CB-CG2 4.32Å; L67-V139 HydrophobicContact CD1-CG2 4.13Å; Y112-V139 WeakPolarHBondContact CE2-O 3.03Å; Y112-V139 PolarHBondContact OH-O 2.65Å; N135-V139 PolarHBondContact O-N 2.82Å; D136-V139 VanDerWaalsContact O-CG2 3.24Å; D136-V139 WeakPolarHBondContact O-CG2 2.91Å; D136-V139 PolarHBondContact O-N 3.43Å; V139-N141 VanDerWaalsContact C-N 3.31Å
140L97.9Very high97.3Very high0 Ų056.7 Ų56.70%030%0.297CS..THydrogen-bonded Turntrans-81.9-9.4169.4-72.7165.1000113L52 L67 I70 Y112 Q116 V119 D136 A138 M142L52-L140 HydrophobicContact CD1-CD1 4.06Å; L52-L140 HydrophobicContact CD2-CD1 4.34Å; L67-L140 HydrophobicContact CD2-CD2 3.69Å; I70-L140 HydrophobicContact CD1-CD1 4.08Å; I70-L140 HydrophobicContact CD1-CD2 3.88Å; Y112-L140 PolarHBondContact OH-O 3.12Å; Q116-L140 PolarHBondContact NE2-O 3.47Å; V119-L140 HydrophobicContact CG1-CD1 4.25Å; V119-L140 HydrophobicContact CG1-CD2 4.16Å; D136-L140 WeakPolarHBondContact O-CB 3.26Å; D136-L140 WeakPolarHBondContact O-CG 3.2Å; D136-L140 PolarHBondContact O-N 2.79Å; A138-L140 VanDerWaalsContact C-N 3.31Å; A138-L140 PolarHBondContact O-N 3.18Å; L140-M142 HydrophobicContact CB-CB 4.18Å; L140-M142 HydrophobicContact CB-CE 4.42Å; L140-M142 HydrophobicContact CB-CG 3.98Å; L140-M142 HydrophobicContact CB-SD 4.01Å; L140-M142 HydrophobicContact CD1-SD 4.38Å; L140-M142 HydrophobicContact CD2-CE 4.37Å; L140-M142 WeakPolarHBondContact O-CG 3.47Å; L140-M142 PolarHBondContact O-N 3.34Å
141N97.3Very high97.3Very high130 Ų13057 Ų5770%0.69530%0.298SS*.THydrogen-bonded Turntrans48.445-170.6-170.630.6000112.5F137 A138 V139F137-N141 PolarHBondContact O-N 2.88Å; F137-N141 VanDerWaalsContact O-N 3.13Å; A138-N141 PolarHBondContact O-N 3.45Å; A138-N141 VanDerWaalsContact O-N 3.15Å; V139-N141 VanDerWaalsContact C-N 3.31Å
142M96.9Very high97.3Very high25 Ų2556.2 Ų56.212%0.12330%0.295CS..  trans-120150.8-175.7-74.6179-170.200112Q116 V119 E120 I123 F137 L140Q116-M142 HydrophobicContact CB-CE 4.31Å; Q116-M142 HydrophobicContact CG-CE 3.47Å; Q116-M142 VanDerWaalsContact CG-CE 3.47Å; Q116-M142 WeakPolarHBondContact O-CE 3.5Å; V119-M142 HydrophobicContact CB-CE 4.03Å; V119-M142 HydrophobicContact CG1-CE 3.98Å; V119-M142 HydrophobicContact CG1-SD 4.08Å; E120-M142 HydrophobicContact CB-CE 3.88Å; I123-M142 HydrophobicContact CD1-SD 3.81Å; F137-M142 HydrophobicContact CD1-CB 4.38Å; F137-M142 PolarHBondContact O-N 2.79Å; L140-M142 HydrophobicContact CB-CB 4.18Å; L140-M142 HydrophobicContact CB-CE 4.42Å; L140-M142 HydrophobicContact CB-CG 3.98Å; L140-M142 HydrophobicContact CB-SD 4.01Å; L140-M142 HydrophobicContact CD1-SD 4.38Å; L140-M142 HydrophobicContact CD2-CE 4.37Å; L140-M142 WeakPolarHBondContact O-CG 3.47Å; L140-M142 PolarHBondContact O-N 3.34Å
143K95.7Very high97.3Very high210 Ų21053.8 Ų53.891%0.91328%0.283SS*.  trans-117.2118.9168.6-67.4179.4-176.2172.30109
144H96.7Very high97.2Very high25 Ų2560.2 Ų60.212%0.11631%0.311CS..  trans-100.2140.5173.7-157.153.9000111.1I123 R126 V128 F137 L148 V149I123-H144 PolarHBondContact O-CE1 2.78Å; I123-H144 VanDerWaalsContact O-CE1 3.31Å; R126-H144 PolarHBondContact O-CE1 2.84Å; R126-H144 PolarHBondContact O-NE2 2.78Å; V128-H144 WeakPolarHBondContact CG2-NE2 3.28Å; F137-H144 HydrophobicContact CE1-CB 3.91Å; F137-H144 HydrophobicContact CE2-CB 3.99Å; F137-H144 HydrophobicContact CZ-CB 3.55Å; H144-L148 WeakPolarHBondContact NE2-CB 3.14Å; H144-V149 HydrophobicContact CB-CG2 4.03Å
145P96Very high97.1Very high55 Ų5553.7 Ų53.736%0.35728%0.284SS..  trans-54.6126.5177.7-27.336.3000111.4H147 L148P145-H147 PolarHBondContact O-N 3.13Å; P145-L148 HydrophobicContact CB-CD1 4.24Å; P145-L148 HydrophobicContact CB-CG 4.35Å; P145-L148 HydrophobicContact CG-CD1 4.21Å; P145-L148 PolarHBondContact O-N 2.74Å
146P95.3Very high97Very high115 Ų11551.7 Ų51.775%0.74728%0.276SS*.G310 helixtrans-57.5-30.8-173.1-29.535.5000114.5L148 V149P146-L148 PolarHBondContact O-N 3.41Å; P146-V149 PolarHBondContact O-N 3.41Å
147H93.7Very high96.9Very high133 Ų13353.3 Ų53.362%0.61628%0.282SS*.G310 helixtrans-73.7-6.2178.271.9-85.3000113.8P145 R150P145-H147 PolarHBondContact O-N 3.13Å; H147-R150 VanDerWaalsContact C-NH1 3.33Å; H147-R150 PolarHBondContact O-NH1 2.94Å; H147-R150 PolarHBondContact O-NH2 3.36Å
148L96Very high96.8Very high12 Ų1252.2 Ų52.26%0.06328%0.277CS..G310 helixtrans-109.34.9173.9-62.8179.8000112.7I127 V128 H144 P145 P146I127-L148 CarbonylContact C-O 3.49Å; I127-L148 VanDerWaalsContact CA-O 3.27Å; I127-L148 WeakPolarHBondContact CA-O 3.36Å; I127-L148 HydrophobicContact CG1-CD2 4.09Å; V128-L148 PolarHBondContact N-O 2.63Å; H144-L148 WeakPolarHBondContact NE2-CB 3.14Å; P145-L148 HydrophobicContact CB-CD1 4.24Å; P145-L148 HydrophobicContact CB-CG 4.35Å; P145-L148 HydrophobicContact CG-CD1 4.21Å; P145-L148 PolarHBondContact O-N 2.74Å; P146-L148 PolarHBondContact O-N 3.41Å
149V97.9Very high96.8Very high33 Ų3349.1 Ų49.120%0.225%0.251CS..EExtended strand (participates in β ladder)trans-97.6128.6179.3175.40000110.7L133 F137 H144 P146 D151L133-V149 HydrophobicContact CD1-CG1 3.75Å; F137-V149 HydrophobicContact CE2-CG2 4.03Å; F137-V149 HydrophobicContact CZ-CG2 4.47Å; H144-V149 HydrophobicContact CB-CG2 4.03Å; P146-V149 PolarHBondContact O-N 3.41Å; V149-D151 HydrophobicContact CG1-CB 4.16Å
150R98.2Very high96.7Very high15 Ų1553.5 Ų53.56%0.05727%0.273CS..EExtended strand (participates in β ladder)trans-119.173.5175.6-9033.2167.6-162.2-12.2109.8I127 V128 V129 G130 H147 T152 Y202 W209 E210I127-R150 HydrophobicContact CG2-CB 4.16Å; I127-R150 HydrophobicContact CG2-CG 3.82Å; V128-R150 PolarHBondContact O-N 3.37Å; V129-R150 WeakPolarHBondContact CA-O 3.37Å; V129-R150 HydrophobicContact CB-CB 4.28Å; V129-R150 HydrophobicContact CG2-CB 3.79Å; V129-R150 HydrophobicContact CG2-CG 4.5Å; G130-R150 PolarHBondContact N-O 3.09Å; G130-R150 VanDerWaalsContact N-O 3.09Å; H147-R150 VanDerWaalsContact C-NH1 3.33Å; H147-R150 PolarHBondContact O-NH1 2.94Å; H147-R150 PolarHBondContact O-NH2 3.36Å; R150-T152 PolarHBondContact O-N 2.76Å; R150-Y202 HydrophobicContact CB-CD2 4.06Å; R150-Y202 HydrophobicContact CB-CE2 4.12Å; R150-Y202 HydrophobicContact CG-CD2 3.74Å; R150-Y202 HydrophobicContact CG-CE2 3.32Å; R150-W209 VanDerWaalsContact CA-CH2 3.47Å; R150-W209 HydrophobicContact CB-CH2 3.63Å; R150-W209 HydrophobicContact CB-CZ2 3.91Å; R150-W209 HydrophobicContact CB-CZ3 4.08Å; R150-W209 HydrophobicContact CG-CD2 4.29Å; R150-W209 HydrophobicContact CG-CE3 4.32Å; R150-W209 HydrophobicContact CG-CH2 3.89Å; R150-W209 HydrophobicContact CG-CZ2 3.8Å; R150-W209 HydrophobicContact CG-CZ3 4.14Å; R150-E210 IonicContact CZ-OE1 2.92Å; R150-E210 IonicContact CZ-OE2 2.82Å; R150-E210 IonicContact NE-OE1 3.92Å; R150-E210 PolarHBondContact NE-OE1 3.23Å; R150-E210 IonicContact NE-OE2 3.31Å; R150-E210 IonicContact NH2-OE1 2.93Å; R150-E210 IonicContact NH2-OE2 3.36Å; R150-E210 PolarHBondContact NH2-OE2 3.37Å
151D98.5Very high96.6Very high6 Ų656.2 Ų56.23%0.03229%0.287CS..EExtended strand (participates in β ladder)trans-83.3103.3177-173.6-17.1000111.1M132 L133 V149 C153 K154M132-D151 PolarHBondContact N-OD1 2.73Å; L133-D151 HydrophobicContact CD1-CB 4.3Å; L133-D151 PolarHBondContact N-OD2 3.05Å; V149-D151 HydrophobicContact CG1-CB 4.16Å; D151-C153 PolarHBondContact O-N 3.13Å; D151-C153 VanDerWaalsContact O-N 3.16Å; D151-C153 WeakPolarHBondContact OD1-CB 3.43Å; D151-C153 PolarHBondContact OD1-N 3.23Å; D151-C153 VanDerWaalsContact OD1-N 3.12Å; D151-K154 HydrophobicContact CB-CB 4.47Å; D151-K154 HydrophobicContact CB-CD 4.11Å; D151-K154 HydrophobicContact CB-CG 4.32Å; D151-K154 PolarHBondContact O-N 2.78Å; D151-K154 VanDerWaalsContact O-N 3.11Å; D151-K154 WeakPolarHBondContact OD2-CD 3.43Å; D151-K154 WeakPolarHBondContact OD2-CE 3.21Å; D151-K154 IonicContact OD2-NZ 3.56Å; D151-K154 PolarHBondContact OD2-NZ 3.28Å
152T98.4Very high96.5Very high0 Ų050 Ų500%025%0.254CS..THydrogen-bonded Turntrans-64-18.5-175.358.70000113.6V129 G130 H131 R150 I201 W209V129-T152 HydrophobicContact CG1-CG2 4.38Å; G130-T152 PolarHBondContact O-N 3.43Å; G130-T152 PolarHBondContact O-OG1 3.38Å; H131-T152 PolarHBondContact ND1-OG1 3.37Å; R150-T152 PolarHBondContact O-N 2.76Å; T152-I201 HydrophobicContact CG2-CB 4.28Å; T152-I201 HydrophobicContact CG2-CG2 3.89Å; T152-W209 HydrophobicContact CG2-CH2 4.45Å; T152-W209 HydrophobicContact CG2-CZ3 4.13Å
153C97.4Very high96.4Very high4 Ų451.3 Ų51.33%0.02727%0.274CS..THydrogen-bonded Turntrans-74.2-29.1176.2-176.20000112.6M132 D151 K159M132-C153 HydrophobicContact CG-CB 3.79Å; D151-C153 PolarHBondContact O-N 3.13Å; D151-C153 VanDerWaalsContact O-N 3.16Å; D151-C153 WeakPolarHBondContact OD1-CB 3.43Å; D151-C153 PolarHBondContact OD1-N 3.23Å; D151-C153 VanDerWaalsContact OD1-N 3.12Å; C153-K159 WeakPolarHBondContact O-CE 3.27Å; C153-K159 PolarHBondContact O-NZ 2.97Å
154K95.6Very high96.4Very high135 Ų13543.8 Ų43.859%0.58724%0.241SC*.THydrogen-bonded Turntrans-89.6-22.5-171.2-69.6-179.6-178.9135.70114.3D151D151-K154 HydrophobicContact CB-CB 4.47Å; D151-K154 HydrophobicContact CB-CD 4.11Å; D151-K154 HydrophobicContact CB-CG 4.32Å; D151-K154 PolarHBondContact O-N 2.78Å; D151-K154 VanDerWaalsContact O-N 3.11Å; D151-K154 WeakPolarHBondContact OD2-CD 3.43Å; D151-K154 WeakPolarHBondContact OD2-CE 3.21Å; D151-K154 IonicContact OD2-NZ 3.56Å; D151-K154 PolarHBondContact OD2-NZ 3.28Å
155V95.3Very high96.3Very high22 Ų2246.8 Ų46.813%0.13326%0.263CS..  trans-94.9151.9-174.4-68.20000112.9Y157 P158 W209V155-Y157 HydrophobicContact CB-CD2 3.83Å; V155-Y157 HydrophobicContact CB-CE2 4Å; V155-Y157 HydrophobicContact CG1-CE2 4.28Å; V155-Y157 HydrophobicContact CG2-CD2 4.07Å; V155-P158 HydrophobicContact CG2-CG 4.18Å; V155-W209 HydrophobicContact CB-CH2 4.48Å; V155-W209 HydrophobicContact CB-CZ2 4.18Å; V155-W209 HydrophobicContact CG1-CD2 4.44Å; V155-W209 HydrophobicContact CG1-CH2 4.12Å; V155-W209 HydrophobicContact CG1-CZ2 3.42Å; V155-W209 VanDerWaalsContact CG1-CZ2 3.42Å; V155-W209 HydrophobicContact CG2-CD2 4.29Å; V155-W209 HydrophobicContact CG2-CE3 4.14Å; V155-W209 HydrophobicContact CG2-CH2 3.56Å; V155-W209 HydrophobicContact CG2-CZ2 3.75Å; V155-W209 HydrophobicContact CG2-CZ3 3.79Å
156P96.8Very high96.2Very high49 Ų4946.9 Ų46.932%0.31826%0.263SS..SBendtrans-78.5-27.4-176.130.7-35.5000113.1K159 L160 T166P156-K159 WeakPolarHBondContact O-CB 3.29Å; P156-K159 PolarHBondContact O-N 2.98Å; P156-K159 VanDerWaalsContact O-N 3.12Å; P156-L160 HydrophobicContact CB-CD1 4.24Å; P156-L160 WeakPolarHBondContact O-CG 3.46Å; P156-L160 PolarHBondContact O-N 3.27Å; P156-T166 HydrophobicContact CB-CG2 3.71Å
157Y96.9Very high96.1Very high40 Ų4051 Ų5116%0.15727%0.269CS..Hα-helixtrans-54.2-54.4-168.9-39.4-68.6000114.1V155 K159 L160 L161 I208 W209 D212V155-Y157 HydrophobicContact CB-CD2 3.83Å; V155-Y157 HydrophobicContact CB-CE2 4Å; V155-Y157 HydrophobicContact CG1-CE2 4.28Å; V155-Y157 HydrophobicContact CG2-CD2 4.07Å; Y157-K159 VanDerWaalsContact C-N 3.28Å; Y157-K159 PolarHBondContact O-N 3.43Å; Y157-L160 PolarHBondContact O-N 3.29Å; Y157-L161 PolarHBondContact O-N 2.87Å; Y157-L161 VanDerWaalsContact O-N 3.11Å; Y157-I208 HydrophobicContact CD1-CD1 4.23Å; Y157-I208 HydrophobicContact CD1-CG1 4.16Å; Y157-I208 HydrophobicContact CD1-CG2 4.1Å; Y157-I208 HydrophobicContact CE1-CG1 4.21Å; Y157-I208 HydrophobicContact CG-CG2 4.19Å; Y157-W209 HydrophobicContact CD2-CB 3.87Å; Y157-W209 HydrophobicContact CD2-CD2 4.2Å; Y157-W209 AromaticContact CD2-CG 3.86Å; Y157-W209 HydrophobicContact CD2-CG 3.86Å; Y157-W209 HydrophobicContact CE2-CB 3.79Å; Y157-W209 AromaticContact CE2-CD1 3.6Å; Y157-W209 HydrophobicContact CE2-CD2 4.22Å; Y157-W209 AromaticContact CE2-CG 3.6Å; Y157-W209 HydrophobicContact CE2-CG 3.6Å; Y157-D212 WeakPolarHBondContact OH-CB 3.35Å; Y157-D212 PolarHBondContact OH-OD2 3.18Å
158P97Very high96.1Very high0 Ų047.7 Ų47.70%026%0.259CS..Hα-helixtrans-67.1-30.9-179.228.2-35.5000112.3V155 A162 L175 L179 I201 V205V155-P158 HydrophobicContact CG2-CG 4.18Å; P158-A162 WeakPolarHBondContact O-CB 3.41Å; P158-A162 PolarHBondContact O-N 3.05Å; P158-L175 HydrophobicContact CB-CD2 4.4Å; P158-L179 HydrophobicContact CB-CD1 4.33Å; P158-I201 HydrophobicContact CB-CG2 3.45Å; P158-I201 VanDerWaalsContact CB-CG2 3.45Å; P158-I201 HydrophobicContact CG-CG2 4.09Å; P158-V205 HydrophobicContact CB-CG1 4.39Å
159K97Very high96.1Very high7 Ų753.9 Ų53.93%0.0329%0.288CS..Hα-helixtrans-66.6-44.4176.3-57.4178.6-170.2-1790111.1C153 P156 Y157 A162 G163 F164 T166 P168 I170 L175C153-K159 WeakPolarHBondContact O-CE 3.27Å; C153-K159 PolarHBondContact O-NZ 2.97Å; P156-K159 WeakPolarHBondContact O-CB 3.29Å; P156-K159 PolarHBondContact O-N 2.98Å; P156-K159 VanDerWaalsContact O-N 3.12Å; Y157-K159 VanDerWaalsContact C-N 3.28Å; Y157-K159 PolarHBondContact O-N 3.43Å; K159-A162 PolarHBondContact O-N 2.68Å; K159-G163 PolarHBondContact O-N 2.66Å; K159-F164 HydrophobicContact CB-CB 4.28Å; K159-F164 PolarHBondContact O-N 2.88Å; K159-T166 HydrophobicContact CB-CG2 4.43Å; K159-T166 WeakPolarHBondContact CD-O 3.42Å; K159-T166 PolarHBondContact NZ-O 2.8Å; K159-P168 PolarHBondContact NZ-O 3.41Å; K159-I170 HydrophobicContact CD-CG1 4.09Å; K159-I170 HydrophobicContact CG-CG1 4.1Å; K159-L175 HydrophobicContact CG-CD2 4.4Å
160L96Very high96.1Very high107 Ų10753.2 Ų53.256%0.5628%0.283SS*.Hα-helixtrans-61.7-48.4177.2-70.9171.8000111.5P156 Y157 A162 G163 T166P156-L160 HydrophobicContact CB-CD1 4.24Å; P156-L160 WeakPolarHBondContact O-CG 3.46Å; P156-L160 PolarHBondContact O-N 3.27Å; Y157-L160 PolarHBondContact O-N 3.29Å; L160-A162 VanDerWaalsContact C-N 3.3Å; L160-A162 PolarHBondContact O-N 3.06Å; L160-G163 PolarHBondContact O-N 2.85Å; L160-T166 HydrophobicContact CD1-CG2 4.33Å; L160-T166 HydrophobicContact CD2-CG2 3.53Å; L160-T166 HydrophobicContact CG-CG2 3.62Å
161L95.5Very high96Very high57 Ų5754.2 Ų54.230%0.29830%0.298SS..Hα-helixtrans-62-38.5177-63.8-170.4000112.2K10 Y11 Y157 G163 L179 L204 V205K10-L161 PolarHBondContact NZ-O 3.25Å; Y11-L161 HydrophobicContact CE2-CB 4.01Å; Y157-L161 PolarHBondContact O-N 2.87Å; Y157-L161 VanDerWaalsContact O-N 3.11Å; L161-G163 PolarHBondContact O-N 3.07Å; L161-L179 HydrophobicContact CB-CD2 3.71Å; L161-L204 HydrophobicContact CD1-CD2 3.98Å; L161-L204 HydrophobicContact CD1-CG 3.92Å; L161-V205 HydrophobicContact CD1-CG1 3.65Å; L161-V205 HydrophobicContact CG-CG1 4.47Å
162A95.1Very high96Very high0 Ų054.4 Ų54.40%030%0.299CS..Hα-helixtrans-69-20.6175.500000112.9K10 P158 K159 L160 F164 L175 R178 L179K10-A162 PolarHBondContact NZ-O 2.91Å; P158-A162 WeakPolarHBondContact O-CB 3.41Å; P158-A162 PolarHBondContact O-N 3.05Å; K159-A162 PolarHBondContact O-N 2.68Å; L160-A162 VanDerWaalsContact C-N 3.3Å; L160-A162 PolarHBondContact O-N 3.06Å; A162-F164 HydrophobicContact CB-CD2 3.45Å; A162-F164 VanDerWaalsContact CB-CD2 3.45Å; A162-F164 HydrophobicContact CB-CE2 3.77Å; A162-F164 HydrophobicContact CB-CG 4.42Å; A162-L175 HydrophobicContact CB-CD2 3.98Å; A162-R178 HydrophobicContact CB-CB 3.98Å; A162-L179 HydrophobicContact CB-CD2 3.93Å; A162-L179 HydrophobicContact CB-CG 4.11Å
163G94.9Very high95.9Very high53 Ų5359.8 Ų59.855%0.54632%0.319SS..THydrogen-bonded Turntrans81.729.3-175.100000113.2K159 L160 L161K159-G163 PolarHBondContact O-N 2.66Å; L160-G163 PolarHBondContact O-N 2.85Å; L161-G163 PolarHBondContact O-N 3.07Å
164F95.7Very high95.9Very high51 Ų5161.3 Ų61.322%0.22433%0.332CS..  trans-97.7154.4174.3-68.8-58.4000111.8K159 A162 I170 A174 L175 R178K159-F164 HydrophobicContact CB-CB 4.28Å; K159-F164 PolarHBondContact O-N 2.88Å; A162-F164 HydrophobicContact CB-CD2 3.45Å; A162-F164 VanDerWaalsContact CB-CD2 3.45Å; A162-F164 HydrophobicContact CB-CE2 3.77Å; A162-F164 HydrophobicContact CB-CG 4.42Å; F164-I170 HydrophobicContact CB-CD1 4.02Å; F164-I170 HydrophobicContact CB-CG1 3.98Å; F164-I170 HydrophobicContact CD1-CD1 4.3Å; F164-I170 HydrophobicContact CD2-CB 4.49Å; F164-I170 HydrophobicContact CD2-CG1 4.24Å; F164-I170 HydrophobicContact CD2-CG2 3.66Å; F164-I170 HydrophobicContact CE2-CG2 3.65Å; F164-I170 HydrophobicContact CG-CD1 4.07Å; F164-I170 HydrophobicContact CG-CG1 4.14Å; F164-I170 HydrophobicContact CG-CG2 4.23Å; F164-I170 HydrophobicContact CZ-CG2 4.21Å; F164-A174 HydrophobicContact CE2-CB 4.35Å; F164-A174 HydrophobicContact CZ-CB 4.1Å; F164-L175 HydrophobicContact CD2-CD2 3.98Å; F164-L175 HydrophobicContact CE2-CD2 4.25Å; F164-R178 HydrophobicContact CE2-CB 4.14Å; F164-R178 HydrophobicContact CE2-CG 3.79Å; F164-R178 HydrophobicContact CZ-CB 4.41Å; F164-R178 HydrophobicContact CZ-CG 3.56Å
165P94.8Very high96Very high89 Ų8954.9 Ų54.958%0.57831%0.305SS*.  trans-58.5142.7165.1-19.932.3000111P168P165-P168 HydrophobicContact CB-CG 3.93Å
166T93.4Very high96.1Very high57 Ų5753.9 Ų53.935%0.3530%0.298SS..SBendtrans-83.3-26.2-173.753.20000114.2P156 K159 L160P156-T166 HydrophobicContact CB-CG2 3.71Å; K159-T166 HydrophobicContact CB-CG2 4.43Å; K159-T166 WeakPolarHBondContact CD-O 3.42Å; K159-T166 PolarHBondContact NZ-O 2.8Å; L160-T166 HydrophobicContact CD1-CG2 4.33Å; L160-T166 HydrophobicContact CD2-CG2 3.53Å; L160-T166 HydrophobicContact CG-CG2 3.62Å
167K93.7Very high96Very high201 Ų20153.6 Ų53.687%0.87429%0.294SS*.SBendtrans-66.1-52.7-179.7-68.3-174.4179.2-178.90114.1
168P94.3Very high96Very high63 Ų6356.2 Ų56.241%0.40930%0.303SS..SBendtrans-66.8153.2179.627.5-34.8000111.6K159 P165 I170K159-P168 PolarHBondContact NZ-O 3.41Å; P165-P168 HydrophobicContact CB-CG 3.93Å; P168-I170 HydrophobicContact CG-CD1 4.15Å
169Q95.7Very high96Very high142 Ų14256.2 Ų56.266%0.66430%0.303SS*.  trans-70.6133.2165.5-66.6-177.98.900108.6M132M132-Q169 HydrophobicContact CE-CB 4.32Å
170I97.5Very high96Very high20 Ų2056.2 Ų56.210%0.10330%0.304CS..  trans-116.6122.8177.7-54.4-60.8000106.3H131 K159 F164 P168 A174 L175H131-I170 PolarHBondContact CE1-O 3.31Å; H131-I170 PolarHBondContact NE2-O 3.32Å; K159-I170 HydrophobicContact CD-CG1 4.09Å; K159-I170 HydrophobicContact CG-CG1 4.1Å; F164-I170 HydrophobicContact CB-CD1 4.02Å; F164-I170 HydrophobicContact CB-CG1 3.98Å; F164-I170 HydrophobicContact CD1-CD1 4.3Å; F164-I170 HydrophobicContact CD2-CB 4.49Å; F164-I170 HydrophobicContact CD2-CG1 4.24Å; F164-I170 HydrophobicContact CD2-CG2 3.66Å; F164-I170 HydrophobicContact CE2-CG2 3.65Å; F164-I170 HydrophobicContact CG-CD1 4.07Å; F164-I170 HydrophobicContact CG-CG1 4.14Å; F164-I170 HydrophobicContact CG-CG2 4.23Å; F164-I170 HydrophobicContact CZ-CG2 4.21Å; P168-I170 HydrophobicContact CG-CD1 4.15Å; I170-A174 HydrophobicContact CG2-CB 3.89Å; I170-L175 HydrophobicContact CB-CD2 4.35Å; I170-L175 HydrophobicContact CB-CG 4.26Å; I170-L175 HydrophobicContact CG2-CD2 3.96Å; I170-L175 HydrophobicContact CG2-CG 3.8Å
171G97Very high96Very high36 Ų3652.2 Ų52.237%0.37129%0.288SS..  trans-65.9153.5-178.900000113.1R173 A174 L175G171-R173 VanDerWaalsContact C-N 3.34Å; G171-R173 PolarHBondContact O-N 2.76Å; G171-A174 PolarHBondContact O-N 2.83Å; G171-L175 PolarHBondContact O-N 3Å; G171-L175 VanDerWaalsContact O-N 3.16Å
172L98.1Very high95.9Very high9 Ų951.5 Ų51.55%0.04728%0.284CS..Hα-helixtrans-53.3-48.1-176.7-171.860.8000112.3H131 A174 L175 T176 I184 D194 A197 I201H131-L172 HydrophobicContact CB-CB 4.35Å; H131-L172 HydrophobicContact CB-CD1 3.97Å; H131-L172 HydrophobicContact CB-CD2 4.32Å; H131-L172 HydrophobicContact CB-CG 4.44Å; H131-L172 PolarHBondContact NE2-N 2.78Å; H131-L172 VanDerWaalsContact NE2-N 3.18Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.06Å; L172-L175 PolarHBondContact O-N 3.44Å; L172-L175 VanDerWaalsContact O-N 3.15Å; L172-T176 WeakPolarHBondContact O-CB 3.11Å; L172-T176 PolarHBondContact O-N 2.97Å; L172-T176 PolarHBondContact O-OG1 3.42Å; L172-I184 HydrophobicContact CB-CD1 4.44Å; L172-I184 HydrophobicContact CD2-CD1 4.04Å; L172-I184 HydrophobicContact CG-CD1 3.77Å; L172-D194 HydrophobicContact CD2-CB 3.77Å; L172-A197 HydrophobicContact CD1-CB 4.14Å; L172-A197 HydrophobicContact CD2-CB 4.09Å; L172-A197 HydrophobicContact CG-CB 4.15Å; L172-I201 HydrophobicContact CD1-CD1 3.62Å
173R96.8Very high95.9Very high113 Ų11353.1 Ų53.143%0.42630%0.295SS..Hα-helixtrans-52.8-43.8176.4180177.4178.3-179.9-0.3113.2G171 L177 I184 Q185G171-R173 VanDerWaalsContact C-N 3.34Å; G171-R173 PolarHBondContact O-N 2.76Å; R173-L177 WeakPolarHBondContact O-CB 3.48Å; R173-L177 PolarHBondContact O-N 3Å; R173-I184 HydrophobicContact CB-CG1 4.05Å; R173-I184 VanDerWaalsContact CD-O 3.27Å; R173-I184 WeakPolarHBondContact CD-O 3.48Å; R173-I184 HydrophobicContact CG-CG1 4.31Å; R173-I184 WeakPolarHBondContact CG-O 3.39Å; R173-I184 PolarHBondContact NE-O 3.13Å; R173-Q185 PolarHBondContact NH1-O 3.33Å
174A96.6Very high95.8Very high37 Ų3750.6 Ų50.631%0.30627%0.269SS..Hα-helixtrans-69.8-40.1-178.700000111.9F164 I170 G171 L172 R178F164-A174 HydrophobicContact CE2-CB 4.35Å; F164-A174 HydrophobicContact CZ-CB 4.1Å; I170-A174 HydrophobicContact CG2-CB 3.89Å; G171-A174 PolarHBondContact O-N 2.83Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.06Å; A174-R178 WeakPolarHBondContact O-CB 3.3Å; A174-R178 WeakPolarHBondContact O-CG 3.28Å; A174-R178 PolarHBondContact O-N 2.97Å; A174-R178 VanDerWaalsContact O-N 3.11Å
175L97.3Very high95.6Very high0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-63.8-52174.3-73174.4000111.2P158 K159 A162 F164 I170 G171 L172 L177 R178 L179 I201P158-L175 HydrophobicContact CB-CD2 4.4Å; K159-L175 HydrophobicContact CG-CD2 4.4Å; A162-L175 HydrophobicContact CB-CD2 3.98Å; F164-L175 HydrophobicContact CD2-CD2 3.98Å; F164-L175 HydrophobicContact CE2-CD2 4.25Å; I170-L175 HydrophobicContact CB-CD2 4.35Å; I170-L175 HydrophobicContact CB-CG 4.26Å; I170-L175 HydrophobicContact CG2-CD2 3.96Å; I170-L175 HydrophobicContact CG2-CG 3.8Å; G171-L175 PolarHBondContact O-N 3Å; G171-L175 VanDerWaalsContact O-N 3.16Å; L172-L175 PolarHBondContact O-N 3.44Å; L172-L175 VanDerWaalsContact O-N 3.15Å; L175-L177 VanDerWaalsContact C-N 3.3Å; L175-L177 PolarHBondContact O-N 3.22Å; L175-R178 PolarHBondContact O-N 3.09Å; L175-R178 VanDerWaalsContact O-N 3.17Å; L175-L179 HydrophobicContact CB-CD1 4.34Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 VanDerWaalsContact O-CG 3.26Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.19Å; L175-I201 HydrophobicContact CB-CD1 3.73Å; L175-I201 HydrophobicContact CD1-CD1 4.3Å
176T97Very high95.3Very high0 Ų050.5 Ų50.50%027%0.265CS..Hα-helixtrans-58.8-42.6-179-54.90000111.6I17 L172 F180 I182 I184 A197I17-T176 HydrophobicContact CD1-CG2 3.74Å; L172-T176 WeakPolarHBondContact O-CB 3.11Å; L172-T176 PolarHBondContact O-N 2.97Å; L172-T176 PolarHBondContact O-OG1 3.42Å; T176-F180 HydrophobicContact CG2-CD2 4.19Å; T176-F180 WeakPolarHBondContact O-CB 3.45Å; T176-F180 PolarHBondContact O-N 3.17Å; T176-I182 CarbonylContact C-O 3.48Å; T176-I182 HydrophobicContact CG2-CB 4.11Å; T176-I182 HydrophobicContact CG2-CG2 4.36Å; T176-I182 WeakPolarHBondContact CG2-O 3.28Å; T176-I184 HydrophobicContact CG2-CD1 4.26Å; T176-I184 HydrophobicContact CG2-CG1 4.48Å; T176-I184 HydrophobicContact CG2-CG2 4.08Å; T176-A197 HydrophobicContact CG2-CB 4.31Å
177L96.3Very high95Very high44 Ų4451.5 Ų51.523%0.2328%0.279CS..Hα-helixtrans-63.2-45.4176.8-173.967.5000112.1C6 R173 L175 G181 I182C6-L177 WeakPolarHBondContact SG-CD1 3.29Å; R173-L177 WeakPolarHBondContact O-CB 3.48Å; R173-L177 PolarHBondContact O-N 3Å; L175-L177 VanDerWaalsContact C-N 3.3Å; L175-L177 PolarHBondContact O-N 3.22Å; L177-G181 WeakPolarHBondContact O-CA 3.47Å; L177-G181 PolarHBondContact O-N 3.2Å; L177-I182 WeakPolarHBondContact CA-O 3.48Å; L177-I182 PolarHBondContact N-O 2.68Å
178R96.1Very high94.9Very high94 Ų9445.7 Ų45.736%0.35526%0.255SS..Hα-helixtrans-77-30.9-176.5-68.8-67.3-88.8161.6-11.8113.7A162 F164 A174 L175A162-R178 HydrophobicContact CB-CB 3.98Å; F164-R178 HydrophobicContact CE2-CB 4.14Å; F164-R178 HydrophobicContact CE2-CG 3.79Å; F164-R178 HydrophobicContact CZ-CB 4.41Å; F164-R178 HydrophobicContact CZ-CG 3.56Å; A174-R178 WeakPolarHBondContact O-CB 3.3Å; A174-R178 WeakPolarHBondContact O-CG 3.28Å; A174-R178 PolarHBondContact O-N 2.97Å; A174-R178 VanDerWaalsContact O-N 3.11Å; L175-R178 PolarHBondContact O-N 3.09Å; L175-R178 VanDerWaalsContact O-N 3.17Å
179L97.1Very high94.8Very high0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-81.1-48.4179.8-66.1169.9000110.9K10 Y11 P158 L161 A162 L175 I201 L204K10-L179 PolarHBondContact N-O 3.29Å; Y11-L179 HydrophobicContact CD2-CD2 3.98Å; Y11-L179 HydrophobicContact CE2-CD2 3.99Å; Y11-L179 PolarHBondContact N-O 3.28Å; P158-L179 HydrophobicContact CB-CD1 4.33Å; L161-L179 HydrophobicContact CB-CD2 3.71Å; A162-L179 HydrophobicContact CB-CD2 3.93Å; A162-L179 HydrophobicContact CB-CG 4.11Å; L175-L179 HydrophobicContact CB-CD1 4.34Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 VanDerWaalsContact O-CG 3.26Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.19Å; L179-I201 HydrophobicContact CD1-CD1 4.48Å; L179-I201 HydrophobicContact CD1-CG1 3.98Å; L179-I201 HydrophobicContact CD1-CG2 4.33Å; L179-L204 HydrophobicContact CB-CD2 4.26Å; L179-L204 HydrophobicContact CD1-CD2 4.21Å; L179-L204 HydrophobicContact CD2-CD2 3.84Å; L179-L204 HydrophobicContact CG-CD2 4.32Å
180F96.8Very high94.7Very high8 Ų838.9 Ų38.94%0.03522%0.219CC..Hα-helixtrans-114.2-8.9-167.8-53-53.3000114.4K9 C13 I17 T176 I182 A200 I201 L204K9-F180 WeakPolarHBondContact CB-O 3.35Å; C13-F180 HydrophobicContact CB-CB 4.1Å; C13-F180 HydrophobicContact CB-CD1 3.92Å; C13-F180 HydrophobicContact CB-CG 3.97Å; I17-F180 HydrophobicContact CD1-CD2 4.03Å; I17-F180 HydrophobicContact CD1-CE2 4.46Å; T176-F180 HydrophobicContact CG2-CD2 4.19Å; T176-F180 WeakPolarHBondContact O-CB 3.45Å; T176-F180 PolarHBondContact O-N 3.17Å; F180-I182 HydrophobicContact CB-CB 4.4Å; F180-I182 HydrophobicContact CB-CD1 3.9Å; F180-I182 HydrophobicContact CB-CG1 4.04Å; F180-I182 PolarHBondContact O-N 3.2Å; F180-A200 HydrophobicContact CE2-CB 3.82Å; F180-A200 HydrophobicContact CZ-CB 4.13Å; F180-I201 HydrophobicContact CE2-CG1 3.83Å; F180-I201 HydrophobicContact CZ-CG1 4.47Å; F180-L204 HydrophobicContact CE1-CB 4.41Å; F180-L204 HydrophobicContact CE1-CD2 3.86Å; F180-L204 HydrophobicContact CZ-CB 4.17Å; F180-L204 HydrophobicContact CZ-CD2 3.98Å
181G95.4Very high94.6Very high23 Ų2338 Ų3824%0.23721%0.214CC..SBendtrans69.419.9-173.300000113.3C6 L177C6-G181 PolarHBondContact SG-O 3Å; L177-G181 WeakPolarHBondContact O-CA 3.47Å; L177-G181 PolarHBondContact O-N 3.2Å
182I94.7Very high94.5Very high41 Ų4136.2 Ų36.221%0.2120%0.197CC..  trans-106.7120.9-177.5-61.9170.2000108.5C13 I17 K18 T176 L177 F180 I184C13-I182 HydrophobicContact CB-CD1 3.85Å; I17-I182 HydrophobicContact CD1-CD1 4.12Å; I17-I182 HydrophobicContact CG2-CG2 4.39Å; K18-I182 HydrophobicContact CG-CG2 4.31Å; T176-I182 CarbonylContact C-O 3.48Å; T176-I182 HydrophobicContact CG2-CB 4.11Å; T176-I182 HydrophobicContact CG2-CG2 4.36Å; T176-I182 WeakPolarHBondContact CG2-O 3.28Å; L177-I182 WeakPolarHBondContact CA-O 3.48Å; L177-I182 PolarHBondContact N-O 2.68Å; F180-I182 HydrophobicContact CB-CB 4.4Å; F180-I182 HydrophobicContact CB-CD1 3.9Å; F180-I182 HydrophobicContact CB-CG1 4.04Å; F180-I182 PolarHBondContact O-N 3.2Å; I182-I184 HydrophobicContact CG2-CG2 4.17Å
183S93.6Very high94.4Very high34 Ų3436.7 Ų36.724%0.23820%0.198CC..  trans-90119.5174.3-1650000110.5K18 N186K18-S183 WeakPolarHBondContact CE-O 3.32Å; K18-S183 PolarHBondContact NZ-O 3.18Å; S183-N186 PolarHBondContact O-ND2 3.17Å; S183-N186 PolarHBondContact OG-OD1 3.09Å
184I94Very high94.5Very high0 Ų031.4 Ų31.40%018%0.179CC..  trans-108.1167174.561174.3000110.4I17 L172 R173 T176 I182 N186 E193 A197I17-I184 HydrophobicContact CG2-CG2 3.66Å; L172-I184 HydrophobicContact CB-CD1 4.44Å; L172-I184 HydrophobicContact CD2-CD1 4.04Å; L172-I184 HydrophobicContact CG-CD1 3.77Å; R173-I184 HydrophobicContact CB-CG1 4.05Å; R173-I184 VanDerWaalsContact CD-O 3.27Å; R173-I184 WeakPolarHBondContact CD-O 3.48Å; R173-I184 HydrophobicContact CG-CG1 4.31Å; R173-I184 WeakPolarHBondContact CG-O 3.39Å; R173-I184 PolarHBondContact NE-O 3.13Å; T176-I184 HydrophobicContact CG2-CD1 4.26Å; T176-I184 HydrophobicContact CG2-CG1 4.48Å; T176-I184 HydrophobicContact CG2-CG2 4.08Å; I182-I184 HydrophobicContact CG2-CG2 4.17Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 2.75Å; I184-E193 WeakPolarHBondContact CA-OE1 3.42Å; I184-E193 HydrophobicContact CB-CG 4.01Å; I184-E193 WeakPolarHBondContact CB-OE1 3.41Å; I184-E193 HydrophobicContact CG2-CG 3.63Å; I184-E193 WeakPolarHBondContact CG2-OE1 3.18Å; I184-A197 HydrophobicContact CD1-CB 3.8Å
185Q92Very high94.5Very high38 Ų3829.6 Ų29.618%0.17816%0.164CC..  trans55.245.8175.4-56.3171.3-21.200112.6R173 A187 E193 D194R173-Q185 PolarHBondContact NH1-O 3.33Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; Q185-E193 PolarHBondContact N-OE1 3.1Å; Q185-D194 PolarHBondContact NE2-OD1 3.06Å; Q185-D194 PolarHBondContact NE2-OD2 3.5Å
186N87.2Confident94.6Very high101 Ų10131.2 Ų31.254%0.5417%0.17SC..SBendtrans-79.9-18.6179.7-62.9-48.4000112.7S183 I184S183-N186 PolarHBondContact O-ND2 3.17Å; S183-N186 PolarHBondContact OG-OD1 3.09Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 2.75Å
187A88.5Confident94.6Very high78 Ų7831.2 Ų31.265%0.64517%0.17SC*.SBendtrans-140.9-128177.500000107.6Q185Q185-A187 VanDerWaalsContact C-N 3.33Å
188E91.5Very high94.7Very high78 Ų7829.1 Ų29.136%0.36416%0.159SC..SBendtrans-56146.1164.8-55177.3161.900109.9T96 R102T96-E188 WeakPolarHBondContact O-CG 3.36Å; R102-E188 IonicContact CZ-OE1 2.79Å; R102-E188 IonicContact CZ-OE2 2.82Å; R102-E188 IonicContact NH1-OE1 2.74Å; R102-E188 PolarHBondContact NH1-OE1 3.42Å; R102-E188 VanDerWaalsContact NH2-CD 3.28Å; R102-E188 IonicContact NH2-OE1 3.76Å; R102-E188 PolarHBondContact NH2-OE1 3.21Å; R102-E188 IonicContact NH2-OE2 3.67Å; R102-E188 PolarHBondContact NH2-OE2 2.86Å
189H91.7Very high94.9Very high50 Ų5024.7 Ų24.723%0.23114%0.142CC..  trans-78.8164.1176.2-61.7-172.5000110.3E55 W98E55-H189 WeakPolarHBondContact OE1-CB 3.33Å; W98-H189 WeakPolarHBondContact O-CA 3.4Å; W98-H189 WeakPolarHBondContact O-CB 3.4Å; W98-H189 PolarHBondContact O-N 2.96Å
190C93.2Very high94.9Very high13 Ų1324.7 Ų24.79%0.08814%0.142CC..  trans-141.4107.8178.6167.60000106.6H24 I192 E193 D194H24-C190 PolarHBondContact CE1-SG 3.32Å; H24-C190 PolarHBondContact NE2-SG 2.68Å; C190-I192 PolarHBondContact O-N 3.49Å; C190-I192 VanDerWaalsContact O-N 3.1Å; C190-E193 HydrophobicContact CB-CB 3.89Å; C190-E193 WeakPolarHBondContact O-CA 3.3Å; C190-E193 WeakPolarHBondContact O-CB 3.33Å; C190-E193 PolarHBondContact O-N 3.07Å; C190-E193 PolarHBondContact SG-N 3.44Å; C190-E193 VanDerWaalsContact SG-N 3.45Å; C190-D194 PolarHBondContact O-N 3.15Å
191S95.6Very high95Very high0 Ų024.3 Ų24.30%014%0.141CC..Hα-helixtrans-55.3-30.5179.847.40000113.5D53 E55 R69 S71 A195D53-S191 WeakPolarHBondContact CB-O 3.49Å; D53-S191 VanDerWaalsContact OD2-CA 3.28Å; D53-S191 WeakPolarHBondContact OD2-CA 3.48Å; D53-S191 WeakPolarHBondContact OD2-CB 3.41Å; E55-S191 PolarHBondContact OE1-N 3.15Å; R69-S191 WeakPolarHBondContact CD-OG 3.09Å; R69-S191 PolarHBondContact NE-OG 3.21Å; S71-S191 WeakPolarHBondContact OG-CB 3.42Å; S71-S191 PolarHBondContact OG-OG 3.45Å; S191-A195 WeakPolarHBondContact O-CB 3.45Å; S191-A195 PolarHBondContact O-N 2.68Å
192I95.4Very high95.2Very high0 Ų023.3 Ų23.30%013%0.13CC..Hα-helixtrans-64.6-46.8171.1-62.9172.8000111.4C22 S71 V73 V79 D82 C190 D194 R196C22-I192 VanDerWaalsContact SG-CD1 3.6Å; S71-I192 WeakPolarHBondContact OG-CG1 3.14Å; S71-I192 PolarHBondContact OG-N 2.79Å; V73-I192 HydrophobicContact CG1-CG2 4.49Å; V79-I192 HydrophobicContact CG2-CD1 3.93Å; V79-I192 HydrophobicContact CG2-CG1 4.24Å; V79-I192 HydrophobicContact CG2-CG2 3.92Å; D82-I192 HydrophobicContact CB-CD1 4.12Å; D82-I192 HydrophobicContact CB-CG1 4.46Å; D82-I192 WeakPolarHBondContact OD2-CD1 3.48Å; C190-I192 PolarHBondContact O-N 3.49Å; C190-I192 VanDerWaalsContact O-N 3.1Å; I192-D194 VanDerWaalsContact C-N 3.31Å; I192-D194 PolarHBondContact O-N 2.92Å; I192-R196 WeakPolarHBondContact O-CB 3.47Å; I192-R196 WeakPolarHBondContact O-CD 3.36Å; I192-R196 VanDerWaalsContact O-CG 3.22Å; I192-R196 WeakPolarHBondContact O-CG 3.45Å; I192-R196 PolarHBondContact O-N 3.29Å
193E95.9Very high95.4Very high18 Ų1824.3 Ų24.38%0.08413%0.131CC..Hα-helixtrans-62-41.1178.7175.9165.4111.500110.8I17 K18 I184 Q185 C190 R196 A197I17-E193 HydrophobicContact CG2-CG 3.86Å; K18-E193 WeakPolarHBondContact CD-OE2 3.33Å; K18-E193 WeakPolarHBondContact CE-OE2 3.44Å; K18-E193 IonicContact NZ-OE1 3.87Å; K18-E193 PolarHBondContact NZ-OE1 3.18Å; K18-E193 IonicContact NZ-OE2 3.59Å; K18-E193 PolarHBondContact NZ-OE2 2.82Å; I184-E193 WeakPolarHBondContact CA-OE1 3.42Å; I184-E193 HydrophobicContact CB-CG 4.01Å; I184-E193 WeakPolarHBondContact CB-OE1 3.41Å; I184-E193 HydrophobicContact CG2-CG 3.63Å; I184-E193 WeakPolarHBondContact CG2-OE1 3.18Å; Q185-E193 PolarHBondContact N-OE1 3.1Å; C190-E193 HydrophobicContact CB-CB 3.89Å; C190-E193 WeakPolarHBondContact O-CA 3.3Å; C190-E193 WeakPolarHBondContact O-CB 3.33Å; C190-E193 PolarHBondContact O-N 3.07Å; C190-E193 PolarHBondContact SG-N 3.44Å; C190-E193 VanDerWaalsContact SG-N 3.45Å; E193-R196 PolarHBondContact O-N 2.87Å; E193-A197 WeakPolarHBondContact O-CB 3.49Å; E193-A197 PolarHBondContact O-N 2.78Å
194D97.7Very high95.6Very high2 Ų225 Ų251%0.01113%0.132CC..Hα-helixtrans-75.6-38.8-177.4-71-18.4000112.5D53 L172 Q185 C190 I192 A197 S198D53-D194 HydrophobicContact CB-CB 4.19Å; L172-D194 HydrophobicContact CD2-CB 3.77Å; Q185-D194 PolarHBondContact NE2-OD1 3.06Å; Q185-D194 PolarHBondContact NE2-OD2 3.5Å; C190-D194 PolarHBondContact O-N 3.15Å; I192-D194 VanDerWaalsContact C-N 3.31Å; I192-D194 PolarHBondContact O-N 2.92Å; D194-A197 PolarHBondContact O-N 3.06Å; D194-S198 WeakPolarHBondContact O-CB 3.24Å; D194-S198 PolarHBondContact O-N 2.89Å; D194-S198 PolarHBondContact O-OG 2.63Å
195A98.1Very high95.7Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-61.5-44.217000000111.4A51 D53 V73 S191 S198 M199A51-A195 HydrophobicContact CB-CB 4.28Å; A51-A195 WeakPolarHBondContact CB-O 3.39Å; D53-A195 HydrophobicContact CB-CB 4.01Å; V73-A195 HydrophobicContact CG1-CB 4.37Å; V73-A195 HydrophobicContact CG2-CB 4.03Å; S191-A195 WeakPolarHBondContact O-CB 3.45Å; S191-A195 PolarHBondContact O-N 2.68Å; A195-S198 PolarHBondContact O-N 2.91Å; A195-M199 PolarHBondContact O-N 3.32Å
196R98Very high96Very high34 Ų3425.6 Ų25.613%0.12814%0.135CC..Hα-helixtrans-64.6-42.7174.9-74.5168.1166.7167.82112.2I15 Q16 I17 V73 G77 I192 E193 S198 M199 A200I15-R196 HydrophobicContact CD1-CB 4.21Å; I15-R196 HydrophobicContact CD1-CG 4.47Å; I15-R196 WeakPolarHBondContact CD1-O 3.41Å; Q16-R196 VanDerWaalsContact O-CD 3.32Å; Q16-R196 WeakPolarHBondContact O-CD 3.48Å; I17-R196 WeakPolarHBondContact O-CD 3.36Å; V73-R196 HydrophobicContact CG1-CG 4.1Å; V73-R196 HydrophobicContact CG2-CG 4.23Å; G77-R196 VanDerWaalsContact O-CZ 3.3Å; G77-R196 PolarHBondContact O-NE 2.72Å; G77-R196 PolarHBondContact O-NH2 3.13Å; I192-R196 WeakPolarHBondContact O-CB 3.47Å; I192-R196 WeakPolarHBondContact O-CD 3.36Å; I192-R196 VanDerWaalsContact O-CG 3.22Å; I192-R196 WeakPolarHBondContact O-CG 3.45Å; I192-R196 PolarHBondContact O-N 3.29Å; E193-R196 PolarHBondContact O-N 2.87Å; R196-S198 VanDerWaalsContact C-N 3.29Å; R196-S198 PolarHBondContact O-N 2.92Å; R196-M199 PolarHBondContact O-N 2.84Å; R196-A200 VanDerWaalsContact O-CB 3.32Å; R196-A200 WeakPolarHBondContact O-CB 3.23Å; R196-A200 PolarHBondContact O-N 3.27Å
197A98.4Very high96.4Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-60.2-42.9176.400000111.2I17 L172 T176 I184 E193 D194 A200 I201I17-A197 HydrophobicContact CD1-CB 4.2Å; I17-A197 HydrophobicContact CG2-CB 4.07Å; L172-A197 HydrophobicContact CD1-CB 4.14Å; L172-A197 HydrophobicContact CD2-CB 4.09Å; L172-A197 HydrophobicContact CG-CB 4.15Å; T176-A197 HydrophobicContact CG2-CB 4.31Å; I184-A197 HydrophobicContact CD1-CB 3.8Å; E193-A197 WeakPolarHBondContact O-CB 3.49Å; E193-A197 PolarHBondContact O-N 2.78Å; D194-A197 PolarHBondContact O-N 3.06Å; A197-A200 PolarHBondContact O-N 3.3Å; A197-I201 VanDerWaalsContact O-CG1 3.27Å; A197-I201 WeakPolarHBondContact O-CG1 3.31Å; A197-I201 PolarHBondContact O-N 3.18Å
198S98.8Very high96.8Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-61.7-45175-62.80000112.3D194 A195 R196 I201 Y202D194-S198 WeakPolarHBondContact O-CB 3.24Å; D194-S198 PolarHBondContact O-N 2.89Å; D194-S198 PolarHBondContact O-OG 2.63Å; A195-S198 PolarHBondContact O-N 2.91Å; R196-S198 VanDerWaalsContact C-N 3.29Å; R196-S198 PolarHBondContact O-N 2.92Å; S198-I201 PolarHBondContact O-N 3.02Å; S198-Y202 WeakPolarHBondContact O-CB 3.4Å; S198-Y202 PolarHBondContact O-N 3.03Å
199M98.8Very high97.1Very high0 Ų025 Ų250%012%0.121CC..Hα-helixtrans-63.4-42.9175.7-175.754.876.800112.1I15 P49 A51 V129 A195 R196 I201 Y202 R203I15-M199 HydrophobicContact CD1-CB 3.95Å; I15-M199 HydrophobicContact CD1-CG 4.01Å; P49-M199 HydrophobicContact CB-CE 4.27Å; A51-M199 HydrophobicContact CB-CB 3.8Å; A51-M199 HydrophobicContact CB-CE 3.87Å; V129-M199 HydrophobicContact CB-CE 4.3Å; V129-M199 HydrophobicContact CG2-CE 4.09Å; V129-M199 HydrophobicContact CG2-SD 4.43Å; A195-M199 PolarHBondContact O-N 3.32Å; R196-M199 PolarHBondContact O-N 2.84Å; M199-I201 VanDerWaalsContact C-N 3.33Å; M199-I201 PolarHBondContact O-N 3.28Å; M199-Y202 PolarHBondContact O-N 3.13Å; M199-Y202 HydrophobicContact SD-CD1 3.88Å; M199-R203 HydrophobicContact CG-CG 4.48Å; M199-R203 WeakPolarHBondContact O-CB 3.48Å; M199-R203 WeakPolarHBondContact O-CG 3Å; M199-R203 PolarHBondContact O-N 3.35Å; M199-R203 HydrophobicContact SD-CG 4.19Å
200A98.6Very high97.3Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-60.8-43.4177.500000111.7P14 I15 I17 F180 R196 A197 L204P14-A200 HydrophobicContact CG-CB 4.24Å; I15-A200 HydrophobicContact CD1-CB 4.19Å; I15-A200 HydrophobicContact CG1-CB 3.82Å; I17-A200 HydrophobicContact CD1-CB 3.84Å; I17-A200 HydrophobicContact CG1-CB 4.07Å; F180-A200 HydrophobicContact CE2-CB 3.82Å; F180-A200 HydrophobicContact CZ-CB 4.13Å; R196-A200 VanDerWaalsContact O-CB 3.32Å; R196-A200 WeakPolarHBondContact O-CB 3.23Å; R196-A200 PolarHBondContact O-N 3.27Å; A197-A200 PolarHBondContact O-N 3.3Å; A200-L204 PolarHBondContact O-N 3.5Å; A200-L204 VanDerWaalsContact O-N 3.12Å
201I98.7Very high97.4Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-63.3-47.4175-68.9171.3000110.3T152 P158 L172 L175 L179 F180 A197 S198 M199 R203 L204 V205T152-I201 HydrophobicContact CG2-CB 4.28Å; T152-I201 HydrophobicContact CG2-CG2 3.89Å; P158-I201 HydrophobicContact CB-CG2 3.45Å; P158-I201 VanDerWaalsContact CB-CG2 3.45Å; P158-I201 HydrophobicContact CG-CG2 4.09Å; L172-I201 HydrophobicContact CD1-CD1 3.62Å; L175-I201 HydrophobicContact CB-CD1 3.73Å; L175-I201 HydrophobicContact CD1-CD1 4.3Å; L179-I201 HydrophobicContact CD1-CD1 4.48Å; L179-I201 HydrophobicContact CD1-CG1 3.98Å; L179-I201 HydrophobicContact CD1-CG2 4.33Å; F180-I201 HydrophobicContact CE2-CG1 3.83Å; F180-I201 HydrophobicContact CZ-CG1 4.47Å; A197-I201 VanDerWaalsContact O-CG1 3.27Å; A197-I201 WeakPolarHBondContact O-CG1 3.31Å; A197-I201 PolarHBondContact O-N 3.18Å; S198-I201 PolarHBondContact O-N 3.02Å; M199-I201 VanDerWaalsContact C-N 3.33Å; M199-I201 PolarHBondContact O-N 3.28Å; I201-R203 PolarHBondContact O-N 3.06Å; I201-L204 WeakPolarHBondContact O-CB 3.39Å; I201-L204 PolarHBondContact O-N 2.94Å; I201-V205 WeakPolarHBondContact O-CG2 3.49Å; I201-V205 PolarHBondContact O-N 3.23Å
202Y98.6Very high97.3Very high2 Ų227.9 Ų27.91%0.00814%0.142CC..Hα-helixtrans-55.9-51.2177.3170.6-108.5000111.5P49 V129 R150 S198 M199 L204 V205 Q206 W209 E210P49-Y202 HydrophobicContact CB-CE1 4.05Å; P49-Y202 HydrophobicContact CG-CE1 4.01Å; V129-Y202 HydrophobicContact CG1-CG 4.03Å; V129-Y202 HydrophobicContact CG2-CD1 3.67Å; V129-Y202 HydrophobicContact CG2-CD2 4.12Å; V129-Y202 HydrophobicContact CG2-CE1 4.08Å; V129-Y202 HydrophobicContact CG2-CG 3.68Å; R150-Y202 HydrophobicContact CB-CD2 4.06Å; R150-Y202 HydrophobicContact CB-CE2 4.12Å; R150-Y202 HydrophobicContact CG-CD2 3.74Å; R150-Y202 HydrophobicContact CG-CE2 3.32Å; S198-Y202 WeakPolarHBondContact O-CB 3.4Å; S198-Y202 PolarHBondContact O-N 3.03Å; M199-Y202 PolarHBondContact O-N 3.13Å; M199-Y202 HydrophobicContact SD-CD1 3.88Å; Y202-L204 PolarHBondContact O-N 3.49Å; Y202-V205 CarbonylContact O-C 3.55Å; Y202-V205 PolarHBondContact O-N 3.29Å; Y202-Q206 HydrophobicContact CE1-CB 4.35Å; Y202-Q206 HydrophobicContact CE1-CG 3.96Å; Y202-Q206 HydrophobicContact CE2-CB 4.46Å; Y202-Q206 HydrophobicContact CE2-CG 4.32Å; Y202-Q206 WeakPolarHBondContact O-CA 3.48Å; Y202-Q206 WeakPolarHBondContact O-CB 3.36Å; Y202-Q206 PolarHBondContact O-N 3.1Å; Y202-W209 HydrophobicContact CD2-CD2 4.46Å; Y202-W209 AromaticContact CD2-CE3 3.57Å; Y202-W209 HydrophobicContact CD2-CE3 3.57Å; Y202-W209 AromaticContact CD2-CZ3 3.67Å; Y202-W209 HydrophobicContact CD2-CZ3 3.67Å; Y202-W209 HydrophobicContact CE2-CD2 4.47Å; Y202-W209 AromaticContact CE2-CE3 3.98Å; Y202-W209 HydrophobicContact CE2-CE3 3.98Å; Y202-W209 HydrophobicContact CE2-CZ3 4.38Å; Y202-E210 WeakPolarHBondContact CE2-OE1 3.4Å; Y202-E210 PolarHBondContact OH-OE1 2.97Å
203R98.3Very high97.2Very high62 Ų6230.4 Ų30.423%0.23416%0.155CC..Hα-helixtrans-57.4-35.8178.6-75.6-17763.2172.12.1113.2P14 H75 E76 M199 I201 V205P14-R203 HydrophobicContact CB-CB 4.43Å; P14-R203 HydrophobicContact CG-CB 3.86Å; H75-R203 PolarHBondContact CE1-NE 2.81Å; H75-R203 VanDerWaalsContact O-CD 3.27Å; H75-R203 WeakPolarHBondContact O-CD 3.14Å; H75-R203 PolarHBondContact O-NH1 2.82Å; E76-R203 IonicContact OE1-CZ 2.85Å; E76-R203 IonicContact OE1-NH1 2.82Å; E76-R203 PolarHBondContact OE1-NH1 3.47Å; E76-R203 IonicContact OE1-NH2 3.55Å; E76-R203 IonicContact OE2-CZ 2.8Å; E76-R203 IonicContact OE2-NH1 3.6Å; E76-R203 PolarHBondContact OE2-NH1 2.99Å; E76-R203 IonicContact OE2-NH2 3.54Å; M199-R203 HydrophobicContact CG-CG 4.48Å; M199-R203 WeakPolarHBondContact O-CB 3.48Å; M199-R203 WeakPolarHBondContact O-CG 3Å; M199-R203 PolarHBondContact O-N 3.35Å; M199-R203 HydrophobicContact SD-CG 4.19Å; I201-R203 PolarHBondContact O-N 3.06Å; R203-V205 VanDerWaalsContact C-N 3.27Å; R203-V205 PolarHBondContact O-N 3.36Å
204L98Very high96.9Very high49 Ų4934.8 Ų34.826%0.25718%0.179SC..Hα-helixtrans-64.7-31.2175.918064.5000112.8Y11 L161 L179 F180 A200 I201 Y202Y11-L204 HydrophobicContact CD1-CD1 3.84Å; Y11-L204 HydrophobicContact CD2-CD2 3.86Å; Y11-L204 HydrophobicContact CE2-CD2 4.44Å; Y11-L204 HydrophobicContact CG-CD1 3.85Å; Y11-L204 HydrophobicContact CG-CD2 3.95Å; L161-L204 HydrophobicContact CD1-CD2 3.98Å; L161-L204 HydrophobicContact CD1-CG 3.92Å; L179-L204 HydrophobicContact CB-CD2 4.26Å; L179-L204 HydrophobicContact CD1-CD2 4.21Å; L179-L204 HydrophobicContact CD2-CD2 3.84Å; L179-L204 HydrophobicContact CG-CD2 4.32Å; F180-L204 HydrophobicContact CE1-CB 4.41Å; F180-L204 HydrophobicContact CE1-CD2 3.86Å; F180-L204 HydrophobicContact CZ-CB 4.17Å; F180-L204 HydrophobicContact CZ-CD2 3.98Å; A200-L204 PolarHBondContact O-N 3.5Å; A200-L204 VanDerWaalsContact O-N 3.12Å; I201-L204 WeakPolarHBondContact O-CB 3.39Å; I201-L204 PolarHBondContact O-N 2.94Å; Y202-L204 PolarHBondContact O-N 3.49Å
205V97.5Very high96.5Very high2 Ų240.3 Ų40.31%0.01220%0.203CC..Hα-helixtrans-114.28.1-176-57.90000113.5P158 L161 I201 Y202 R203 D207 I208 W209P158-V205 HydrophobicContact CB-CG1 4.39Å; L161-V205 HydrophobicContact CD1-CG1 3.65Å; L161-V205 HydrophobicContact CG-CG1 4.47Å; I201-V205 WeakPolarHBondContact O-CG2 3.49Å; I201-V205 PolarHBondContact O-N 3.23Å; Y202-V205 CarbonylContact O-C 3.55Å; Y202-V205 PolarHBondContact O-N 3.29Å; R203-V205 VanDerWaalsContact C-N 3.27Å; R203-V205 PolarHBondContact O-N 3.36Å; V205-D207 PolarHBondContact O-N 3.48Å; V205-I208 HydrophobicContact CB-CG2 4.17Å; V205-I208 WeakPolarHBondContact O-CG2 3.36Å; V205-I208 PolarHBondContact O-N 3.34Å; V205-W209 HydrophobicContact CG2-CE3 3.79Å; V205-W209 HydrophobicContact CG2-CZ3 4.39Å; V205-W209 WeakPolarHBondContact O-CB 3.32Å; V205-W209 PolarHBondContact O-N 3.18Å
206Q97.2Very high95.9Very high49 Ų4943.7 Ų43.723%0.22922%0.223CC..Hα-helixtrans-59.9-49.9-168.9177.2173.8-2.500111.4H75 Y202 I208 W209 E210H75-Q206 PolarHBondContact NE2-OE1 3.4Å; Y202-Q206 HydrophobicContact CE1-CB 4.35Å; Y202-Q206 HydrophobicContact CE1-CG 3.96Å; Y202-Q206 HydrophobicContact CE2-CB 4.46Å; Y202-Q206 HydrophobicContact CE2-CG 4.32Å; Y202-Q206 WeakPolarHBondContact O-CA 3.48Å; Y202-Q206 WeakPolarHBondContact O-CB 3.36Å; Y202-Q206 PolarHBondContact O-N 3.1Å; Q206-I208 PolarHBondContact O-N 2.86Å; Q206-W209 PolarHBondContact O-N 3.47Å; Q206-E210 HydrophobicContact CG-CG 4.13Å; Q206-E210 WeakPolarHBondContact O-CB 3.34Å; Q206-E210 WeakPolarHBondContact O-CG 3.35Å; Q206-E210 PolarHBondContact O-N 3.33Å
207D96.5Very high95.1Very high142 Ų14245.5 Ų45.576%0.75924%0.238SC*.Hα-helixtrans-58.6-47.5-176.2-65.4-17.3000112.3V205 A211V205-D207 PolarHBondContact O-N 3.48Å; D207-A211 WeakPolarHBondContact O-CB 3.17Å; D207-A211 PolarHBondContact O-N 2.85Å; D207-A211 VanDerWaalsContact O-N 3.1Å
208I96.8Very high94.1Very high91 Ų9152.4 Ų52.447%0.46727%0.268SS..Hα-helixtrans-69.9-40.1179.1-171.3166.8000111.6Y157 V205 Q206 D212Y157-I208 HydrophobicContact CD1-CD1 4.23Å; Y157-I208 HydrophobicContact CD1-CG1 4.16Å; Y157-I208 HydrophobicContact CD1-CG2 4.1Å; Y157-I208 HydrophobicContact CE1-CG1 4.21Å; Y157-I208 HydrophobicContact CG-CG2 4.19Å; V205-I208 HydrophobicContact CB-CG2 4.17Å; V205-I208 WeakPolarHBondContact O-CG2 3.36Å; V205-I208 PolarHBondContact O-N 3.34Å; Q206-I208 PolarHBondContact O-N 2.86Å; I208-D212 PolarHBondContact O-N 3.32Å; I208-D212 VanDerWaalsContact O-N 3.17Å
209W96.7Very high92.9Very high10 Ų1057.1 Ų57.14%0.03829%0.293CS..Hα-helixtrans-64.7-51.8-179.2-169.5-10.4000111R150 T152 V155 Y157 Y202 V205 Q206 A211 D212 L213R150-W209 VanDerWaalsContact CA-CH2 3.47Å; R150-W209 HydrophobicContact CB-CH2 3.63Å; R150-W209 HydrophobicContact CB-CZ2 3.91Å; R150-W209 HydrophobicContact CB-CZ3 4.08Å; R150-W209 HydrophobicContact CG-CD2 4.29Å; R150-W209 HydrophobicContact CG-CE3 4.32Å; R150-W209 HydrophobicContact CG-CH2 3.89Å; R150-W209 HydrophobicContact CG-CZ2 3.8Å; R150-W209 HydrophobicContact CG-CZ3 4.14Å; T152-W209 HydrophobicContact CG2-CH2 4.45Å; T152-W209 HydrophobicContact CG2-CZ3 4.13Å; V155-W209 HydrophobicContact CB-CH2 4.48Å; V155-W209 HydrophobicContact CB-CZ2 4.18Å; V155-W209 HydrophobicContact CG1-CD2 4.44Å; V155-W209 HydrophobicContact CG1-CH2 4.12Å; V155-W209 HydrophobicContact CG1-CZ2 3.42Å; V155-W209 VanDerWaalsContact CG1-CZ2 3.42Å; V155-W209 HydrophobicContact CG2-CD2 4.29Å; V155-W209 HydrophobicContact CG2-CE3 4.14Å; V155-W209 HydrophobicContact CG2-CH2 3.56Å; V155-W209 HydrophobicContact CG2-CZ2 3.75Å; V155-W209 HydrophobicContact CG2-CZ3 3.79Å; Y157-W209 HydrophobicContact CD2-CB 3.87Å; Y157-W209 HydrophobicContact CD2-CD2 4.2Å; Y157-W209 AromaticContact CD2-CG 3.86Å; Y157-W209 HydrophobicContact CD2-CG 3.86Å; Y157-W209 HydrophobicContact CE2-CB 3.79Å; Y157-W209 AromaticContact CE2-CD1 3.6Å; Y157-W209 HydrophobicContact CE2-CD2 4.22Å; Y157-W209 AromaticContact CE2-CG 3.6Å; Y157-W209 HydrophobicContact CE2-CG 3.6Å; Y202-W209 HydrophobicContact CD2-CD2 4.46Å; Y202-W209 AromaticContact CD2-CE3 3.57Å; Y202-W209 HydrophobicContact CD2-CE3 3.57Å; Y202-W209 AromaticContact CD2-CZ3 3.67Å; Y202-W209 HydrophobicContact CD2-CZ3 3.67Å; Y202-W209 HydrophobicContact CE2-CD2 4.47Å; Y202-W209 AromaticContact CE2-CE3 3.98Å; Y202-W209 HydrophobicContact CE2-CE3 3.98Å; Y202-W209 HydrophobicContact CE2-CZ3 4.38Å; V205-W209 HydrophobicContact CG2-CE3 3.79Å; V205-W209 HydrophobicContact CG2-CZ3 4.39Å; V205-W209 WeakPolarHBondContact O-CB 3.32Å; V205-W209 PolarHBondContact O-N 3.18Å; Q206-W209 PolarHBondContact O-N 3.47Å; W209-A211 PolarHBondContact O-N 3.04Å; W209-D212 PolarHBondContact O-N 3.38Å; W209-L213 WeakPolarHBondContact O-CG 3.16Å; W209-L213 PolarHBondContact O-N 2.83Å; W209-L213 VanDerWaalsContact O-N 3.11Å
210E96Very high91.6Very high38 Ų3865.1 Ų65.118%0.17833%0.328CS..Hα-helixtrans-68.7-36.1-177.5-60.3-55151.800111.7R150 Y202 Q206 D212 L213 L214R150-E210 IonicContact CZ-OE1 2.92Å; R150-E210 IonicContact CZ-OE2 2.82Å; R150-E210 IonicContact NE-OE1 3.92Å; R150-E210 PolarHBondContact NE-OE1 3.23Å; R150-E210 IonicContact NE-OE2 3.31Å; R150-E210 IonicContact NH2-OE1 2.93Å; R150-E210 IonicContact NH2-OE2 3.36Å; R150-E210 PolarHBondContact NH2-OE2 3.37Å; Y202-E210 WeakPolarHBondContact CE2-OE1 3.4Å; Y202-E210 PolarHBondContact OH-OE1 2.97Å; Q206-E210 HydrophobicContact CG-CG 4.13Å; Q206-E210 WeakPolarHBondContact O-CB 3.34Å; Q206-E210 WeakPolarHBondContact O-CG 3.35Å; Q206-E210 PolarHBondContact O-N 3.33Å; E210-D212 VanDerWaalsContact C-N 3.32Å; E210-D212 PolarHBondContact O-N 3.02Å; E210-L213 PolarHBondContact O-N 3.36Å; E210-L214 WeakPolarHBondContact O-CG 3.34Å; E210-L214 PolarHBondContact O-N 2.88Å
211A95.1Very high90.1Very high40 Ų4073.4 Ų73.433%0.33136%0.364SS..Hα-helixtrans-59.5-41.4173.900000112.5D207 W209 L214 K215D207-A211 WeakPolarHBondContact O-CB 3.17Å; D207-A211 PolarHBondContact O-N 2.85Å; D207-A211 VanDerWaalsContact O-N 3.1Å; W209-A211 PolarHBondContact O-N 3.04Å; A211-L214 PolarHBondContact O-N 3.19Å; A211-K215 WeakPolarHBondContact O-CG 3.41Å; A211-K215 PolarHBondContact O-N 2.92Å; A211-K215 VanDerWaalsContact O-N 3.15Å
212D94.6Very high88.4Confident46 Ų4681.7 Ų81.725%0.24640%0.4CS..Hα-helixtrans-72.5-33.5179.1-77.3-9.4000112.5Y157 I208 W209 E210 L214 K215 T216Y157-D212 WeakPolarHBondContact OH-CB 3.35Å; Y157-D212 PolarHBondContact OH-OD2 3.18Å; I208-D212 PolarHBondContact O-N 3.32Å; I208-D212 VanDerWaalsContact O-N 3.17Å; W209-D212 PolarHBondContact O-N 3.38Å; E210-D212 VanDerWaalsContact C-N 3.32Å; E210-D212 PolarHBondContact O-N 3.02Å; D212-L214 VanDerWaalsContact C-N 3.35Å; D212-K215 PolarHBondContact O-N 3.49Å; D212-K215 IonicContact OD1-NZ 3.65Å; D212-K215 PolarHBondContact OD1-NZ 3.15Å; D212-T216 WeakPolarHBondContact O-CG2 3.44Å; D212-T216 PolarHBondContact O-N 3.5Å; D212-T216 PolarHBondContact O-OG1 3.35Å; D212-T216 VanDerWaalsContact O-OG1 3.1Å
213L92.5Very high86.2Confident53 Ų5391 Ų9128%0.27745%0.45SS..Hα-helixtrans-65.2-36.9171.8-69.7176.8000112.6W209 E210 T216 T217W209-L213 WeakPolarHBondContact O-CG 3.16Å; W209-L213 PolarHBondContact O-N 2.83Å; W209-L213 VanDerWaalsContact O-N 3.11Å; E210-L213 PolarHBondContact O-N 3.36Å; L213-T216 WeakPolarHBondContact CA-OG1 3.28Å; L213-T216 PolarHBondContact O-OG1 3.14Å; L213-T217 WeakPolarHBondContact O-CB 3.39Å; L213-T217 PolarHBondContact O-N 3.27Å; L213-T217 VanDerWaalsContact O-N 3.08Å; L213-T217 PolarHBondContact O-OG1 3.28Å
214L90.3Very high85.6Confident111 Ų11192.5 Ų92.558%0.58146%0.461SS*.Hα-helixtrans-67.2-40.2175.2-70.9171.8000112.1E210 A211 D212 T217 K218E210-L214 WeakPolarHBondContact O-CG 3.34Å; E210-L214 PolarHBondContact O-N 2.88Å; A211-L214 PolarHBondContact O-N 3.19Å; D212-L214 VanDerWaalsContact C-N 3.35Å; L214-T217 PolarHBondContact O-N 2.82Å; L214-K218 WeakPolarHBondContact O-CG 3.3Å; L214-K218 PolarHBondContact O-N 3.46Å
215K89.7Confident84.9Confident118 Ų11894.7 Ų94.751%0.51347%0.472SS..Hα-helixtrans-63.3-47.2176.1-69.2170.5-161.6158.50111.7A211 D212 T217 K218 N219A211-K215 WeakPolarHBondContact O-CG 3.41Å; A211-K215 PolarHBondContact O-N 2.92Å; A211-K215 VanDerWaalsContact O-N 3.15Å; D212-K215 PolarHBondContact O-N 3.49Å; D212-K215 IonicContact OD1-NZ 3.65Å; D212-K215 PolarHBondContact OD1-NZ 3.15Å; K215-T217 VanDerWaalsContact C-N 3.3Å; K215-T217 PolarHBondContact O-N 3.01Å; K215-K218 PolarHBondContact O-N 3.21Å; K215-N219 PolarHBondContact O-N 3.15Å
216T84.8Confident84.2Confident71 Ų7199.9 Ų99.944%0.43650%0.497SS..Hα-helixtrans-63.5-37179.752.20000112D212 L213 N219 K220D212-T216 WeakPolarHBondContact O-CG2 3.44Å; D212-T216 PolarHBondContact O-N 3.5Å; D212-T216 PolarHBondContact O-OG1 3.35Å; D212-T216 VanDerWaalsContact O-OG1 3.1Å; L213-T216 WeakPolarHBondContact CA-OG1 3.28Å; L213-T216 PolarHBondContact O-OG1 3.14Å; T216-N219 PolarHBondContact O-N 3.3Å; T216-K220 WeakPolarHBondContact O-CG 3.37Å; T216-K220 PolarHBondContact O-N 3Å
217T81.4Confident83.5Confident72 Ų72102.9 Ų102.944%0.44251%0.513SS..Hα-helixtrans-66.5-41.6174.8-56.40000112.2L213 L214 K215 N219 K220 K221L213-T217 WeakPolarHBondContact O-CB 3.39Å; L213-T217 PolarHBondContact O-N 3.27Å; L213-T217 VanDerWaalsContact O-N 3.08Å; L213-T217 PolarHBondContact O-OG1 3.28Å; L214-T217 PolarHBondContact O-N 2.82Å; K215-T217 VanDerWaalsContact C-N 3.3Å; K215-T217 PolarHBondContact O-N 3.01Å; T217-N219 PolarHBondContact O-N 3.08Å; T217-K220 PolarHBondContact O-N 3.44Å; T217-K221 PolarHBondContact O-N 2.94Å
218K77.2Confident82.7Confident145 Ų145100.4 Ų100.463%0.6350%0.498SS*.Hα-helixtrans-63.2-39.6175.8-75.5177.3-179.3179.20112.3L214 K215 K220 K221L214-K218 WeakPolarHBondContact O-CG 3.3Å; L214-K218 PolarHBondContact O-N 3.46Å; K215-K218 PolarHBondContact O-N 3.21Å; K218-K220 VanDerWaalsContact C-N 3.35Å; K218-K221 PolarHBondContact O-N 3.34Å
219N72.8Confident81.7Confident98 Ų98101.1 Ų101.152%0.52450%0.5SS..Hα-helixtrans-67.3-34.9178.6-70.1-9.2000112.4K215 T216 T217 K221 K222K215-N219 PolarHBondContact O-N 3.15Å; T216-N219 PolarHBondContact O-N 3.3Å; T217-N219 PolarHBondContact O-N 3.08Å; N219-K221 VanDerWaalsContact C-N 3.29Å; N219-K221 PolarHBondContact O-N 3.07Å; N219-K222 PolarHBondContact O-N 2.65Å
220K71.5Confident80.6Confident168 Ų168107.6 Ų107.673%0.7353%0.533SS*.Hα-helixtrans-68.9-21.6174.9-73.4-178.8179.9-178.50114.4T216 T217 K218T216-K220 WeakPolarHBondContact O-CG 3.37Å; T216-K220 PolarHBondContact O-N 3Å; T217-K220 PolarHBondContact O-N 3.44Å; K218-K220 VanDerWaalsContact C-N 3.35Å
221K68Low79.5Confident174 Ų174112.9 Ų112.976%0.75756%0.56SS**THydrogen-bonded Turntrans-87-13177.4-71.1-174177.9-174.40113.6T217 K218 N219T217-K221 PolarHBondContact O-N 2.94Å; K218-K221 PolarHBondContact O-N 3.34Å; N219-K221 VanDerWaalsContact C-N 3.29Å; N219-K221 PolarHBondContact O-N 3.07Å
222K63.2Low78.2Confident174 Ų174119 Ų11976%0.75758%0.579SS**THydrogen-bonded Turntrans-92.9-13.9-179.6-74-175.5175-173.90113.4N219N219-K222 PolarHBondContact O-N 2.65Å
223N51.8Low76.7Confident198 Ų198125.6 Ų125.6100%1.05961%0.61SS**  trans-108.90177.9-62.6-8.1000109.2

Retrieved 223 of 223 residues in 59 ms (Link to these results)

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