A0A077Z0C0_TRITR Loading...

Obg-like ATPase 1

Hydrolyzes ATP, and can also hydrolyze GTP with lower efficiency. Has lower affinity for GTP.

AlphaFold DB , UniProt , Accession A0A077Z0C0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 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
1M40Very low39.4Very low241 Ų241161.4 Ų161.4100%1.18782%0.822SS**  0107.30-87.1176.6157.100108.5
2P42.2Very low40.7Very low123 Ų123153.1 Ų153.180%0.79977%0.773SS**  trans-82141.7162.49.38.7000108.9K4P2-K4 PolarHBondContact O-N 3.4Å
3P42Very low42.1Very low124 Ų124148.4 Ų148.481%0.80576%0.76SS**  trans-68.9129.4176.316-8.5000109.3N5P3-N5 PolarHBondContact O-N 3.32Å
4K39Very low44.4Very low206 Ų206140.9 Ų140.990%0.89672%0.724SS**  trans-56.1109.3167.5-81.9178.1173.2177.80108.2P2 K6P2-K4 PolarHBondContact O-N 3.4Å; K4-K6 PolarHBondContact O-N 2.87Å; K4-K6 VanDerWaalsContact O-N 3.07Å
5N36.8Very low46.9Very low153 Ų153133.7 Ų133.782%0.81869%0.688SS**  trans-50.7116.1160.3-103-13000107P3 E7P3-N5 PolarHBondContact O-N 3.32Å; N5-E7 PolarHBondContact O-N 3.01Å
6K36.9Very low49.5Very low201 Ų201128.8 Ų128.887%0.87466%0.662SS**  trans-62.895.1158.6-84.8179174.41760104.9K4 N8K4-K6 PolarHBondContact O-N 2.87Å; K4-K6 VanDerWaalsContact O-N 3.07Å; K6-N8 PolarHBondContact O-N 2.67Å; K6-N8 VanDerWaalsContact O-N 3.13Å
7E35Very low51.8Low170 Ų170122.6 Ų122.679%0.79464%0.638SS**  trans-45.6122.3170-77.3175153.700107.8N5 A9N5-E7 PolarHBondContact O-N 3.01Å; E7-A9 PolarHBondContact O-N 3.09Å
8N31.7Very low54Low159 Ų159120.7 Ų120.785%0.8562%0.621SS**  trans-54.489.9165.2-84.4-29.7000107.2K6 E10K6-N8 PolarHBondContact O-N 2.67Å; K6-N8 VanDerWaalsContact O-N 3.13Å; N8-E10 VanDerWaalsContact C-N 3.29Å; N8-E10 PolarHBondContact O-N 3.03Å
9A40.3Very low55.8Low61 Ų61119.9 Ų119.950%0.50462%0.617SS.*  trans-61.6102.5160.900000105.1E7 K11E7-A9 PolarHBondContact O-N 3.09Å; A9-K11 PolarHBondContact O-N 3.4Å
10E39.9Very low57.4Low156 Ų156114.8 Ų114.873%0.72960%0.595SS**  trans-49.2107.2175.8-76.3-179.215800108.3N8 R12N8-E10 VanDerWaalsContact C-N 3.29Å; N8-E10 PolarHBondContact O-N 3.03Å; E10-R12 PolarHBondContact O-N 3.38Å
11K49.7Very low58.8Low181 Ų181111 Ų11179%0.78758%0.576SS**PPolyproline II helixtrans-60.9135178.8-80.7-176.9173-173.90107.8A9A9-K11 PolarHBondContact O-N 3.4Å
12R55.1Low61.1Low62 Ų62104 Ų10423%0.23454%0.544CS..PPolyproline II helixtrans-53.9132.4170.1-177.1176179.3-153.6-10.9108.3E10 T14 K322 G323E10-R12 PolarHBondContact O-N 3.38Å; R12-T14 PolarHBondContact O-N 3.47Å; R12-K322 VanDerWaalsContact CZ-O 3.32Å; R12-K322 PolarHBondContact NE-O 3.36Å; R12-K322 PolarHBondContact NH2-O 3.29Å; R12-G323 WeakPolarHBondContact CD-O 3.49Å
13P59.1Low63.6Low92 Ų9298.4 Ų98.460%0.59751%0.508SS*.PPolyproline II helixtrans-55.7131.3173.721.7-31.3000109.1L15P13-L15 PolarHBondContact O-N 3.38Å; P13-L15 VanDerWaalsContact O-N 3.12Å
14T73.4Confident66.1Low43 Ų4394.5 Ų94.526%0.26448%0.478SS..  trans-72.8109-176-51.20000109.3R12 D207 V210 E211R12-T14 PolarHBondContact O-N 3.47Å; T14-D207 WeakPolarHBondContact OG1-CB 3.36Å; T14-D207 PolarHBondContact OG1-OD1 3.38Å; T14-V210 HydrophobicContact CG2-CB 3.69Å; T14-V210 HydrophobicContact CG2-CG1 3.54Å; T14-E211 HydrophobicContact CG2-CG 4.28Å
15L82.4Confident68.8Low34 Ų3484.7 Ų84.718%0.17844%0.435CS..  trans-78.7133.6177.1-60.7175.4000109.6P13 N214 Q303P13-L15 PolarHBondContact O-N 3.38Å; P13-L15 VanDerWaalsContact O-N 3.12Å; L15-N214 PolarHBondContact O-ND2 3.19Å; L15-Q303 HydrophobicContact CD1-CB 4.01Å; L15-Q303 HydrophobicContact CD1-CG 4.41Å; L15-Q303 HydrophobicContact CD2-CG 4.33Å
16I87.8Confident71.5Confident55 Ų5577.4 Ų77.428%0.28240%0.396SS..SBendtrans-74.6129.4167.1-162.8171.3000109V200 V210 L213 N214 A221I16-V200 HydrophobicContact CD1-CG1 4.11Å; I16-V210 HydrophobicContact CB-CG1 4.05Å; I16-V210 HydrophobicContact CG1-CG1 4.38Å; I16-L213 HydrophobicContact CD1-CD1 4.13Å; I16-N214 WeakPolarHBondContact CA-OD1 3.5Å; I16-A221 HydrophobicContact CD1-CB 3.72Å; I16-A221 HydrophobicContact CG1-CB 4.06Å
17G90Very high74.3Confident24 Ų2467.9 Ų67.925%0.24736%0.355CS..SBendtrans122-175.9-176.700000114.2N214G17-N214 PolarHBondContact N-OD1 3.21Å; G17-N214 PolarHBondContact O-ND2 3.4Å; G17-N214 PolarHBondContact O-OD1 3.2Å
18R91.2Very high77.1Confident88 Ų8859.8 Ų59.833%0.33232%0.317SS..  trans-71.9135.5-177.7-170.7-179.9-70.3147.3-6110.7L23 A116 D118 L217 Q321R18-L23 HydrophobicContact CB-CD2 4.05Å; R18-L23 HydrophobicContact CG-CD2 4.26Å; R18-A116 PolarHBondContact NH1-O 2.92Å; R18-D118 WeakPolarHBondContact CB-OD1 3.48Å; R18-D118 WeakPolarHBondContact CD-OD1 3.27Å; R18-D118 IonicContact CZ-OD1 3.18Å; R18-D118 VanDerWaalsContact CZ-OD1 3.26Å; R18-D118 IonicContact NE-OD1 2.88Å; R18-D118 PolarHBondContact NE-OD1 3.05Å; R18-D118 IonicContact NH1-OD1 2.63Å; R18-D118 PolarHBondContact NH1-OD1 3.28Å; R18-D118 IonicContact NH1-OD2 2.69Å; R18-D118 PolarHBondContact NH1-OD2 3.36Å; R18-L217 HydrophobicContact CB-CD2 4.2Å; R18-Q321 PolarHBondContact O-NE2 2.96Å
19I87.3Confident79.9Confident106 Ų10652.2 Ų52.254%0.54428%0.276SS..  trans-87.8116.8172.5-56-59000109.2
20G87.5Confident82.3Confident17 Ų1749.5 Ų49.518%0.17525%0.254CS..SBendtrans165.8169.2-178.900000112.4L23 Q321G20-L23 WeakPolarHBondContact O-CG 3.27Å; G20-Q321 WeakPolarHBondContact O-CG 3.41Å; G20-Q321 PolarHBondContact O-NE2 3.35Å
21T87.1Confident84.4Confident34 Ų3443.6 Ų43.621%0.20923%0.229CC..SBendtrans-104.5-15.2178.852.20000113.4L23 T319 R332T21-L23 PolarHBondContact O-N 3.4Å; T21-T319 HydrophobicContact CG2-CG2 4.47Å; T21-T319 VanDerWaalsContact CG2-O 3.28Å; T21-T319 WeakPolarHBondContact CG2-O 3.43Å; T21-R332 PolarHBondContact OG1-NH1 3.11Å
22N88.6Confident86.2Confident94 Ų9438.8 Ų38.850%0.50321%0.211SC..SBendtrans-92.853.3177.1-165.632.1000110.7N89N22-N89 PolarHBondContact OD1-ND2 3.23Å
23L93.8Very high87.9Confident7 Ų735.9 Ų35.94%0.03720%0.201CC..  trans-83.9155.7-179.7-55.2-176.3000111.1R18 G20 T21 N89 D118 L302 L304R18-L23 HydrophobicContact CB-CD2 4.05Å; R18-L23 HydrophobicContact CG-CD2 4.26Å; G20-L23 WeakPolarHBondContact O-CG 3.27Å; T21-L23 PolarHBondContact O-N 3.4Å; L23-N89 PolarHBondContact O-ND2 2.96Å; L23-D118 VanDerWaalsContact CA-OD2 3.23Å; L23-D118 WeakPolarHBondContact CA-OD2 3.18Å; L23-D118 HydrophobicContact CB-CB 4.03Å; L23-D118 WeakPolarHBondContact CB-OD2 3.35Å; L23-D118 HydrophobicContact CD1-CB 4.49Å; L23-D118 HydrophobicContact CD2-CB 4.22Å; L23-D118 HydrophobicContact CG-CB 4.48Å; L23-L302 HydrophobicContact CB-CB 4.44Å; L23-L302 HydrophobicContact CB-CD1 4.12Å; L23-L302 HydrophobicContact CB-CD2 3.9Å; L23-L302 HydrophobicContact CB-CG 4.41Å; L23-L302 HydrophobicContact CD1-CB 4.24Å; L23-L302 WeakPolarHBondContact CD1-O 3.45Å; L23-L304 HydrophobicContact CB-CD1 4.47Å; L23-L304 HydrophobicContact CD1-CD2 4.13Å; L23-L304 HydrophobicContact CD1-CG 4.46Å; L23-L304 HydrophobicContact CG-CD2 4.5Å
24K94.7Very high89.4Confident41 Ų4132.3 Ų32.318%0.17818%0.18CC..EExtended strand (participates in β ladder)trans-128.7143.3-173.8-54.3-178.9176.1-172.50112.6E61 N89 V91 D118 A119K24-E61 IonicContact NZ-OE1 3.24Å; K24-E61 PolarHBondContact NZ-OE1 3.42Å; K24-E61 IonicContact NZ-OE2 3.96Å; K24-E61 PolarHBondContact NZ-OE2 2.99Å; K24-N89 WeakPolarHBondContact CA-O 3.39Å; K24-N89 HydrophobicContact CB-CB 4.3Å; K24-N89 HydrophobicContact CG-CB 3.88Å; K24-V91 HydrophobicContact CB-CG2 4Å; K24-V91 HydrophobicContact CD-CG2 3.82Å; K24-V91 HydrophobicContact CG-CG2 4.42Å; K24-D118 PolarHBondContact N-OD2 3.41Å; K24-D118 PolarHBondContact O-N 2.74Å; K24-A119 PolarHBondContact O-N 3Å
25V95.8Very high90.3Very high1 Ų131 Ų311%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-102.5128.5169.7-167.30000109.8L88 N89 V90 V91 A119 F121 L302V25-L88 HydrophobicContact CG2-CD1 3.73Å; V25-L88 HydrophobicContact CG2-CG 4.44Å; V25-N89 PolarHBondContact N-O 3.11Å; V25-V90 CarbonylContact O-C 3.57Å; V25-V90 WeakPolarHBondContact O-CA 3.33Å; V25-V91 PolarHBondContact O-N 3.07Å; V25-A119 WeakPolarHBondContact CA-O 3.18Å; V25-A119 HydrophobicContact CG1-CB 4.26Å; V25-A119 HydrophobicContact CG2-CB 4.28Å; V25-F121 HydrophobicContact CB-CD2 4.06Å; V25-F121 HydrophobicContact CB-CE2 4.02Å; V25-F121 HydrophobicContact CG1-CB 4.28Å; V25-F121 HydrophobicContact CG1-CD1 4.25Å; V25-F121 HydrophobicContact CG1-CD2 3.32Å; V25-F121 HydrophobicContact CG1-CE1 4.47Å; V25-F121 HydrophobicContact CG1-CE2 3.62Å; V25-F121 HydrophobicContact CG1-CG 3.67Å; V25-F121 HydrophobicContact CG1-CZ 4.2Å; V25-F121 HydrophobicContact CG2-CE2 4.42Å; V25-L302 HydrophobicContact CG2-CD1 3.57Å; V25-L302 HydrophobicContact CG2-CD2 4.03Å; V25-L302 HydrophobicContact CG2-CG 3.72Å
26G94.9Very high90.6Very high0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-95136.6175.300000112.5V91 C117 A119 V120 F121G26-V91 CarbonylContact C-O 3.52Å; G26-V91 WeakPolarHBondContact CA-O 3.3Å; G26-C117 VanDerWaalsContact CA-SG 3.56Å; G26-A119 PolarHBondContact N-O 3.13Å; G26-V120 WeakPolarHBondContact O-CA 3.29Å; G26-F121 PolarHBondContact O-N 3.08Å
27I94.6Very high90.7Very high0 Ų033.3 Ų33.30%019%0.192CC..EExtended strand (participates in β ladder)trans-87.4113.6173.9-56163.9000109.3K35 F38 F39 L42 V90 V91 V93 F121 M123I27-K35 HydrophobicContact CG2-CB 4.08Å; I27-K35 HydrophobicContact CG2-CD 4.22Å; I27-K35 HydrophobicContact CG2-CG 3.99Å; I27-F38 HydrophobicContact CD1-CD1 3.82Å; I27-F38 HydrophobicContact CD1-CE1 4.04Å; I27-F38 HydrophobicContact CG1-CD1 4.32Å; I27-F38 HydrophobicContact CG1-CE1 4.27Å; I27-F38 HydrophobicContact CG2-CD1 4.4Å; I27-F39 HydrophobicContact CD1-CB 3.97Å; I27-F39 HydrophobicContact CD1-CD2 3.75Å; I27-F39 HydrophobicContact CD1-CG 4.35Å; I27-L42 HydrophobicContact CD1-CD1 4.2Å; I27-V90 HydrophobicContact CD1-CG1 3.64Å; I27-V90 HydrophobicContact CG1-CG1 3.72Å; I27-V91 PolarHBondContact N-O 3.13Å; I27-V93 VanDerWaalsContact O-CB 3.27Å; I27-V93 WeakPolarHBondContact O-CB 3.38Å; I27-V93 PolarHBondContact O-N 2.88Å; I27-F121 HydrophobicContact CG1-CD2 4.48Å; I27-M123 HydrophobicContact CG2-CE 4.25Å
28V93.3Very high90.8Very high0 Ų032.2 Ų32.20%018%0.181CC..EExtended strand (participates in β ladder)trans-116.9149.1-176.3165.80000110.3V93 F110 I114 V120 F121 M123 I148V28-V93 HydrophobicContact CG2-CB 4.37Å; V28-V93 HydrophobicContact CG2-CG1 4.49Å; V28-V93 HydrophobicContact CG2-CG2 4.4Å; V28-F110 HydrophobicContact CB-CE2 4.32Å; V28-F110 HydrophobicContact CB-CZ 4.11Å; V28-F110 HydrophobicContact CG1-CE2 3.88Å; V28-F110 HydrophobicContact CG1-CZ 3.47Å; V28-F110 VanDerWaalsContact CG1-CZ 3.47Å; V28-F110 HydrophobicContact CG2-CE2 3.97Å; V28-F110 HydrophobicContact CG2-CZ 3.64Å; V28-I114 HydrophobicContact CG2-CD1 3.84Å; V28-I114 HydrophobicContact CG2-CG1 4.29Å; V28-V120 HydrophobicContact CB-CG1 3.65Å; V28-V120 HydrophobicContact CG1-CG1 4.4Å; V28-V120 HydrophobicContact CG2-CG1 3.65Å; V28-F121 PolarHBondContact N-O 3.38Å; V28-M123 PolarHBondContact O-N 3.28Å; V28-I148 HydrophobicContact CG1-CD1 4.37Å; V28-I148 HydrophobicContact CG1-CG2 3.96Å
29G92.1Very high90.9Very high0 Ų028.6 Ų28.60%017%0.167CC..  trans163.6162.317500000111.6K35 L96G29-K35 WeakPolarHBondContact O-CE 3.44Å; G29-K35 PolarHBondContact O-NZ 2.91Å; G29-L96 PolarHBondContact O-N 3.41Å
30L89.1Confident90.9Very high5 Ų528 Ų283%0.02617%0.165CC..  trans-60.3164.5173.9-61.8-170.8000111.5V33 K35 L96 E136 D144 I148L30-V33 HydrophobicContact CB-CG1 4.08Å; L30-V33 WeakPolarHBondContact O-CG1 3.43Å; L30-V33 VanDerWaalsContact O-CG2 3.24Å; L30-V33 WeakPolarHBondContact O-CG2 3.4Å; L30-K35 PolarHBondContact O-NZ 2.68Å; L30-L96 WeakPolarHBondContact CD2-O 3.23Å; L30-E136 HydrophobicContact CD1-CG 4.42Å; L30-D144 HydrophobicContact CD1-CB 3.57Å; L30-D144 VanDerWaalsContact CD1-CG 3.49Å; L30-D144 HydrophobicContact CG-CB 4.2Å; L30-I148 HydrophobicContact CD2-CG1 4.37Å
31P85.5Confident91.1Very high31 Ų3127.4 Ų27.420%0.20116%0.158CC..THydrogen-bonded Turntrans-58.1154173.4-24.135.5000111.7V33 L96 T97 V135P31-V33 PolarHBondContact O-N 3.19Å; P31-V33 VanDerWaalsContact O-N 3.13Å; P31-L96 VanDerWaalsContact CD-O 3.3Å; P31-L96 WeakPolarHBondContact CD-O 3.46Å; P31-T97 HydrophobicContact CG-CG2 4.15Å; P31-V135 HydrophobicContact CB-CG2 3.71Å; P31-V135 HydrophobicContact CG-CG2 3.8Å
32N86.5Confident91.2Very high80 Ų8025.9 Ų25.943%0.42815%0.149SC..THydrogen-bonded Turntrans61.217.7175.3-54.7-17.2000116.5V132 T133N32-V132 HydrophobicContact CB-CG1 3.76Å; N32-T133 PolarHBondContact ND2-O 2.91Å
33V91.7Very high91Very high2 Ų224.3 Ų24.31%0.01214%0.143CC..SBendtrans-85.3-7.2174.9-54.10000114.2L30 P31 K35 M123 R125 N229L30-V33 HydrophobicContact CB-CG1 4.08Å; L30-V33 WeakPolarHBondContact O-CG1 3.43Å; L30-V33 VanDerWaalsContact O-CG2 3.24Å; L30-V33 WeakPolarHBondContact O-CG2 3.4Å; P31-V33 PolarHBondContact O-N 3.19Å; P31-V33 VanDerWaalsContact O-N 3.13Å; V33-K35 HydrophobicContact CG2-CD 4.38Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; V33-M123 HydrophobicContact CB-CG 4.38Å; V33-M123 HydrophobicContact CG2-CB 4.08Å; V33-M123 HydrophobicContact CG2-CG 3.88Å; V33-M123 HydrophobicContact CG2-SD 4Å; V33-R125 HydrophobicContact CB-CB 4.04Å; V33-R125 HydrophobicContact CG1-CB 3.83Å; V33-N229 PolarHBondContact O-ND2 2.82Å
34G91.1Very high90.5Very high16 Ų1629.8 Ų29.817%0.16517%0.166CC..SBendtrans102.813.1-179.100000116.1S36 T37 F38G34-S36 PolarHBondContact O-N 2.8Å; G34-T37 PolarHBondContact O-N 2.87Å; G34-F38 WeakPolarHBondContact O-CB 3.41Å; G34-F38 PolarHBondContact O-N 3.14Å
35K91.6Very high89.4Confident16 Ų1630.2 Ų30.27%0.0717%0.174CC..Hα-helixtrans-54.2-53-178.7-62.1-169.9-59.6-690113.1I27 G29 L30 V33 T37 F38 F39 M123I27-K35 HydrophobicContact CG2-CB 4.08Å; I27-K35 HydrophobicContact CG2-CD 4.22Å; I27-K35 HydrophobicContact CG2-CG 3.99Å; G29-K35 WeakPolarHBondContact O-CE 3.44Å; G29-K35 PolarHBondContact O-NZ 2.91Å; L30-K35 PolarHBondContact O-NZ 2.68Å; V33-K35 HydrophobicContact CG2-CD 4.38Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; K35-T37 PolarHBondContact O-N 3.02Å; K35-F38 PolarHBondContact O-N 2.76Å; K35-F39 PolarHBondContact O-N 2.78Å; K35-M123 HydrophobicContact CG-CB 4.49Å; K35-M123 HydrophobicContact CG-SD 4.22Å; K35-M123 PolarHBondContact N-SD 3.13Å
36S87.6Confident88.2Confident71 Ų7131.4 Ų31.450%0.49718%0.184SC..Hα-helixtrans-65.2-38.5-177.9-510000112G34 F38 F39 N40G34-S36 PolarHBondContact O-N 2.8Å; S36-F38 PolarHBondContact O-N 3.3Å; S36-F39 PolarHBondContact O-N 2.87Å; S36-N40 WeakPolarHBondContact O-CB 3.47Å; S36-N40 PolarHBondContact O-N 2.95Å; S36-N40 PolarHBondContact O-ND2 3.48Å
37T90.7Very high86.6Confident66 Ų6633.4 Ų33.441%0.40520%0.196SC..Hα-helixtrans-59.1-48.3172.8-52.70000110.7G34 K35 N40 V41 A268G34-T37 PolarHBondContact O-N 2.87Å; K35-T37 PolarHBondContact O-N 3.02Å; T37-N40 PolarHBondContact O-N 2.97Å; T37-V41 VanDerWaalsContact O-CG2 3.31Å; T37-V41 WeakPolarHBondContact O-CG2 3.49Å; T37-V41 PolarHBondContact O-N 3.23Å; T37-A268 HydrophobicContact CG2-CB 3.97Å
38F93.2Very high85Confident1 Ų137.4 Ų37.40%0.00422%0.222CC..Hα-helixtrans-65.4-41.6179176.9-111.8000112.9I27 G34 K35 S36 N40 V41 L42 M123 L227 F262 L291 I294I27-F38 HydrophobicContact CD1-CD1 3.82Å; I27-F38 HydrophobicContact CD1-CE1 4.04Å; I27-F38 HydrophobicContact CG1-CD1 4.32Å; I27-F38 HydrophobicContact CG1-CE1 4.27Å; I27-F38 HydrophobicContact CG2-CD1 4.4Å; G34-F38 WeakPolarHBondContact O-CB 3.41Å; G34-F38 PolarHBondContact O-N 3.14Å; K35-F38 PolarHBondContact O-N 2.76Å; S36-F38 PolarHBondContact O-N 3.3Å; F38-N40 VanDerWaalsContact C-N 3.33Å; F38-N40 PolarHBondContact O-N 3.26Å; F38-V41 WeakPolarHBondContact O-CB 3.41Å; F38-V41 PolarHBondContact O-N 3.14Å; F38-L42 HydrophobicContact CD1-CD1 3.99Å; F38-L42 HydrophobicContact CE1-CD1 3.46Å; F38-L42 VanDerWaalsContact CE1-CD1 3.46Å; F38-L42 HydrophobicContact CE1-CG 4.29Å; F38-L42 HydrophobicContact CE2-CD1 4.34Å; F38-L42 HydrophobicContact CE2-CG 4.32Å; F38-L42 HydrophobicContact CZ-CD1 3.64Å; F38-L42 HydrophobicContact CZ-CD2 4.33Å; F38-L42 HydrophobicContact CZ-CG 4.06Å; F38-L42 WeakPolarHBondContact O-CG 3.41Å; F38-L42 PolarHBondContact O-N 3.16Å; F38-M123 HydrophobicContact CB-CE 3.54Å; F38-M123 HydrophobicContact CD1-CE 3.56Å; F38-M123 HydrophobicContact CE1-CE 4.43Å; F38-M123 HydrophobicContact CG-CE 3.62Å; F38-L227 HydrophobicContact CD1-CD1 4.45Å; F38-L227 HydrophobicContact CE1-CD1 3.81Å; F38-L227 HydrophobicContact CZ-CD1 3.9Å; F38-F262 HydrophobicContact CB-CE2 4.48Å; F38-F262 HydrophobicContact CD2-CD2 4.4Å; F38-F262 AromaticContact CD2-CE2 3.72Å; F38-F262 HydrophobicContact CD2-CE2 3.72Å; F38-F262 HydrophobicContact CD2-CZ 4.26Å; F38-F262 HydrophobicContact CE2-CE2 4.36Å; F38-F262 HydrophobicContact CG-CE2 4.32Å; F38-L291 HydrophobicContact CE2-CD1 3.96Å; F38-I294 HydrophobicContact CE2-CD1 3.9Å; F38-I294 HydrophobicContact CE2-CG2 4.28Å; F38-I294 HydrophobicContact CZ-CD1 4.34Å; F38-I294 HydrophobicContact CZ-CG2 3.68Å
39F91.5Very high83.3Confident13 Ų1340.3 Ų40.36%0.05725%0.246CC..Hα-helixtrans-62.7-40.7174.7-174.9-103.4000111.5I27 K35 S36 V41 L42 T43 N60 D92I27-F39 HydrophobicContact CD1-CB 3.97Å; I27-F39 HydrophobicContact CD1-CD2 3.75Å; I27-F39 HydrophobicContact CD1-CG 4.35Å; K35-F39 PolarHBondContact O-N 2.78Å; S36-F39 PolarHBondContact O-N 2.87Å; F39-V41 PolarHBondContact O-N 2.91Å; F39-L42 WeakPolarHBondContact O-CB 3.29Å; F39-L42 PolarHBondContact O-N 3.48Å; F39-T43 WeakPolarHBondContact O-CB 2.91Å; F39-T43 PolarHBondContact O-N 3.27Å; F39-T43 PolarHBondContact O-OG1 3.5Å; F39-T43 VanDerWaalsContact O-OG1 3.06Å; F39-N60 VanDerWaalsContact CZ-C 3.46Å; F39-N60 WeakPolarHBondContact CZ-O 3.3Å; F39-D92 HydrophobicContact CB-CB 4.37Å; F39-D92 HydrophobicContact CD1-CB 4.04Å; F39-D92 HydrophobicContact CD2-CB 3.73Å; F39-D92 HydrophobicContact CE1-CB 4.25Å; F39-D92 HydrophobicContact CE2-CB 3.94Å; F39-D92 HydrophobicContact CG-CB 3.78Å; F39-D92 HydrophobicContact CZ-CB 4.2Å
40N88Confident81.5Confident93 Ų9348.7 Ų48.750%0.49729%0.285SS..Hα-helixtrans-62.9-41.3175.3-72-17000112.2S36 T37 F38 L42 T43 K44S36-N40 WeakPolarHBondContact O-CB 3.47Å; S36-N40 PolarHBondContact O-N 2.95Å; S36-N40 PolarHBondContact O-ND2 3.48Å; T37-N40 PolarHBondContact O-N 2.97Å; F38-N40 VanDerWaalsContact C-N 3.33Å; F38-N40 PolarHBondContact O-N 3.26Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-T43 PolarHBondContact O-N 3.44Å; N40-K44 WeakPolarHBondContact O-CB 3.17Å; N40-K44 WeakPolarHBondContact O-CG 3.44Å; N40-K44 PolarHBondContact O-N 3.31Å
41V91.1Very high80.1Confident4 Ų453.5 Ų53.52%0.02431%0.311CS..Hα-helixtrans-58.9-45.9173.6168.10000110.8T37 F38 F39 S45 E267 A268 V271 L291T37-V41 VanDerWaalsContact O-CG2 3.31Å; T37-V41 WeakPolarHBondContact O-CG2 3.49Å; T37-V41 PolarHBondContact O-N 3.23Å; F38-V41 WeakPolarHBondContact O-CB 3.41Å; F38-V41 PolarHBondContact O-N 3.14Å; F39-V41 PolarHBondContact O-N 2.91Å; V41-S45 WeakPolarHBondContact O-CB 3.2Å; V41-S45 PolarHBondContact O-N 3.2Å; V41-S45 VanDerWaalsContact O-N 3.11Å; V41-S45 PolarHBondContact O-OG 3.14Å; V41-E267 HydrophobicContact CG1-CB 3.88Å; V41-E267 HydrophobicContact CG2-CB 4.22Å; V41-A268 HydrophobicContact CG2-CB 4.09Å; V41-V271 HydrophobicContact CG2-CG1 4.43Å; V41-L291 HydrophobicContact CG1-CD1 4.23Å; V41-L291 HydrophobicContact CG1-CD2 3.97Å
42L90Very high78.9Confident2 Ų254.3 Ų54.31%0.0131%0.311CS..Hα-helixtrans-62.2-44.3177-75.6170.4000111.9I27 F38 F39 N40 S45 A46 V64 V90 L291 I295I27-L42 HydrophobicContact CD1-CD1 4.2Å; F38-L42 HydrophobicContact CD1-CD1 3.99Å; F38-L42 HydrophobicContact CE1-CD1 3.46Å; F38-L42 VanDerWaalsContact CE1-CD1 3.46Å; F38-L42 HydrophobicContact CE1-CG 4.29Å; F38-L42 HydrophobicContact CE2-CD1 4.34Å; F38-L42 HydrophobicContact CE2-CG 4.32Å; F38-L42 HydrophobicContact CZ-CD1 3.64Å; F38-L42 HydrophobicContact CZ-CD2 4.33Å; F38-L42 HydrophobicContact CZ-CG 4.06Å; F38-L42 WeakPolarHBondContact O-CG 3.41Å; F38-L42 PolarHBondContact O-N 3.16Å; F39-L42 WeakPolarHBondContact O-CB 3.29Å; F39-L42 PolarHBondContact O-N 3.48Å; N40-L42 VanDerWaalsContact C-N 3.34Å; L42-S45 CarbonylContact O-C 3.47Å; L42-S45 WeakPolarHBondContact O-CA 3.39Å; L42-S45 WeakPolarHBondContact O-CB 3.18Å; L42-S45 PolarHBondContact O-N 3.15Å; L42-A46 PolarHBondContact O-N 2.86Å; L42-V64 HydrophobicContact CB-CG2 4.03Å; L42-V64 HydrophobicContact CD2-CG1 4.44Å; L42-V64 HydrophobicContact CD2-CG2 3.97Å; L42-V90 HydrophobicContact CD1-CB 4.42Å; L42-V90 HydrophobicContact CD1-CG1 3.92Å; L42-V90 HydrophobicContact CD1-CG2 4.33Å; L42-L291 HydrophobicContact CD2-CD1 3.59Å; L42-L291 HydrophobicContact CD2-CG 4.49Å; L42-L291 HydrophobicContact CG-CD1 4.24Å; L42-I295 HydrophobicContact CD2-CD1 4.45Å; L42-I295 HydrophobicContact CD2-CG1 4.19Å
43T84Confident77.2Confident62 Ų6255.7 Ų55.738%0.3833%0.325SS..Hα-helixtrans-69.8-38-178.6-620000112.7F39 N40 S45 A46 S62F39-T43 WeakPolarHBondContact O-CB 2.91Å; F39-T43 PolarHBondContact O-N 3.27Å; F39-T43 PolarHBondContact O-OG1 3.5Å; F39-T43 VanDerWaalsContact O-OG1 3.06Å; N40-T43 PolarHBondContact O-N 3.44Å; T43-S45 PolarHBondContact O-N 2.65Å; T43-A46 WeakPolarHBondContact O-CB 3.18Å; T43-A46 PolarHBondContact O-N 2.76Å; T43-A46 VanDerWaalsContact O-N 3.08Å; T43-S62 PolarHBondContact OG1-OG 2.89Å
44K82.5Confident75.7Confident122 Ų12265 Ų6553%0.5337%0.366SS..Hα-helixtrans-65.3-28.5170.8-75.1-178.1176.1-173.20112.5N40 A46 V271 D272N40-K44 WeakPolarHBondContact O-CB 3.17Å; N40-K44 WeakPolarHBondContact O-CG 3.44Å; N40-K44 PolarHBondContact O-N 3.31Å; K44-A46 VanDerWaalsContact C-N 3.31Å; K44-V271 HydrophobicContact CB-CG2 3.45Å; K44-V271 VanDerWaalsContact CB-CG2 3.45Å; K44-V271 HydrophobicContact CD-CG1 3.65Å; K44-V271 HydrophobicContact CD-CG2 4.02Å; K44-V271 HydrophobicContact CG-CG2 4.42Å; K44-D272 IonicContact NZ-OD1 3.8Å; K44-D272 PolarHBondContact NZ-OD1 3.01Å; K44-D272 IonicContact NZ-OD2 2.71Å; K44-D272 PolarHBondContact NZ-OD2 2.93Å
45S73.1Confident73.8Confident50 Ų5066.6 Ų66.635%0.3537%0.374SS..THydrogen-bonded Turntrans-85.6-2.1174-540000113.3V41 L42 T43V41-S45 WeakPolarHBondContact O-CB 3.2Å; V41-S45 PolarHBondContact O-N 3.2Å; V41-S45 VanDerWaalsContact O-N 3.11Å; V41-S45 PolarHBondContact O-OG 3.14Å; L42-S45 CarbonylContact O-C 3.47Å; L42-S45 WeakPolarHBondContact O-CA 3.39Å; L42-S45 WeakPolarHBondContact O-CB 3.18Å; L42-S45 PolarHBondContact O-N 3.15Å; T43-S45 PolarHBondContact O-N 2.65Å
46A70.5Confident72Confident25 Ų2571.9 Ų71.921%0.20741%0.407CS..SBendtrans-79.6154.1-175.100000111.7L42 T43 K44 R63L42-A46 PolarHBondContact O-N 2.86Å; T43-A46 WeakPolarHBondContact O-CB 3.18Å; T43-A46 PolarHBondContact O-N 2.76Å; T43-A46 VanDerWaalsContact O-N 3.08Å; K44-A46 VanDerWaalsContact C-N 3.31Å; A46-R63 WeakPolarHBondContact CB-O 3.42Å
47V61.7Low70.8Confident43 Ų4371 Ų7126%0.26140%0.397SS..PPolyproline II helixtrans-75.8135.9173.1175.80000108.6A49 N51 A65 F87V47-A49 PolarHBondContact O-N 2.92Å; V47-N51 HydrophobicContact CG1-CB 4.31Å; V47-N51 WeakPolarHBondContact CG1-ND2 3.42Å; V47-A65 HydrophobicContact CG2-CB 4.28Å; V47-F87 HydrophobicContact CB-CE1 4.01Å; V47-F87 HydrophobicContact CG2-CE1 3.76Å; V47-F87 HydrophobicContact CG2-CZ 4.43Å
48P60.5Low69.8Low83 Ų8371.5 Ų71.554%0.53940%0.397SS..PPolyproline II helixtrans-52139.7179.5-28.234.7000112.9E50 N51P48-E50 PolarHBondContact O-N 3.34Å; P48-N51 PolarHBondContact O-N 3.17Å
49A57.1Low68.6Low61 Ų6177.7 Ų77.750%0.50444%0.437SS..G310 helixtrans-57.5-22.4-177.600000113.7V47 N51 F52 I57V47-A49 PolarHBondContact O-N 2.92Å; A49-N51 PolarHBondContact O-N 3.26Å; A49-F52 PolarHBondContact O-N 3.14Å; A49-I57 HydrophobicContact CB-CD1 3.89Å
50E55.5Low68.1Low176 Ų17679.3 Ų79.382%0.82245%0.446SS*.G310 helixtrans-54.6-25.6178.7-62.1-179.6-177.500113.4P48 F52P48-E50 PolarHBondContact O-N 3.34Å; E50-F52 PolarHBondContact O-N 2.67Å
51N59.8Low67.9Low106 Ų10676.7 Ų76.757%0.56743%0.431SS*.G310 helixtrans-74.2-4.6178.3-71.9-32000114.2V47 P48 A49V47-N51 HydrophobicContact CG1-CB 4.31Å; V47-N51 WeakPolarHBondContact CG1-ND2 3.42Å; P48-N51 PolarHBondContact O-N 3.17Å; A49-N51 PolarHBondContact O-N 3.26Å
52F59.3Low67.7Low48 Ų4876.8 Ų76.821%0.21143%0.432CS..  trans-134.773.6-176.3-56.5-77.2000112.7A49 E50 F54 C55 F87A49-F52 PolarHBondContact O-N 3.14Å; E50-F52 PolarHBondContact O-N 2.67Å; F52-F54 PolarHBondContact O-N 3.29Å; F52-C55 HydrophobicContact CB-CB 4.07Å; F52-C55 PolarHBondContact O-N 3.42Å; F52-F87 HydrophobicContact CE1-CD2 4.49Å; F52-F87 HydrophobicContact CE1-CE2 4.24Å; F52-F87 HydrophobicContact CE2-CE1 4.3Å; F52-F87 HydrophobicContact CE2-CZ 4.26Å; F52-F87 HydrophobicContact CZ-CD1 4.35Å; F52-F87 AromaticContact CZ-CD2 3.93Å; F52-F87 HydrophobicContact CZ-CD2 3.93Å; F52-F87 HydrophobicContact CZ-CE1 4Å; F52-F87 AromaticContact CZ-CE2 3.56Å; F52-F87 HydrophobicContact CZ-CE2 3.56Å; F52-F87 HydrophobicContact CZ-CG 4.33Å; F52-F87 AromaticContact CZ-CZ 3.6Å; F52-F87 HydrophobicContact CZ-CZ 3.6Å
53P50.5Low67.7Low109 Ų10978.6 Ų78.671%0.70844%0.438SS*.THydrogen-bonded Turntrans-62.2-12.3-172.223.4-34.1000115.3
54F59.9Low68Low199 Ų19975.8 Ų75.887%0.87342%0.421SS*.THydrogen-bonded Turntrans-105.14.1-178.7-54.2-68.3000113.9F52F52-F54 PolarHBondContact O-N 3.29Å
55C52.4Low68.5Low49 Ų4971.3 Ų71.333%0.33141%0.407SS..  trans-113.9113.3-176.4-65.20000110.4F52 I57 R63F52-C55 HydrophobicContact CB-CB 4.07Å; F52-C55 PolarHBondContact O-N 3.42Å; C55-I57 HydrophobicContact CB-CG1 4.49Å; C55-I57 PolarHBondContact O-N 2.64Å; C55-R63 PolarHBondContact SG-NH1 3.26Å; C55-R63 PolarHBondContact SG-NH2 2.69Å
56T54Low69.5Low126 Ų12669.3 Ų69.377%0.77339%0.393SS*.  trans-69.3114.8159.4-50.80000107.1
57I61.2Low70.6Confident54 Ų5470.2 Ų70.228%0.27740%0.397SS..  trans-97.7112.1173.3-58.4-179.9000106A49 C55 E61A49-I57 HydrophobicContact CB-CD1 3.89Å; C55-I57 HydrophobicContact CB-CG1 4.49Å; C55-I57 PolarHBondContact O-N 2.64Å; I57-E61 HydrophobicContact CG2-CB 4.25Å; I57-E61 WeakPolarHBondContact CG2-O 3.17Å
58D69.8Low72.3Confident76 Ų7668.8 Ų68.841%0.40639%0.388SS..  trans-64.8150.9174.5-68-44.9000109.9N60 E61D58-N60 VanDerWaalsContact CB-OD1 3.31Å; D58-N60 WeakPolarHBondContact CB-OD1 3.17Å; D58-N60 PolarHBondContact O-N 2.84Å; D58-E61 HydrophobicContact CB-CB 4.47Å; D58-E61 HydrophobicContact CB-CG 4.17Å; D58-E61 PolarHBondContact O-N 2.82Å
59P67.5Low74Confident130 Ų13072.1 Ų72.184%0.84440%0.396SS*.THydrogen-bonded Turntrans-57.8-22.8-177.8-26.234.6000114.8
60N81Confident75.9Confident48 Ų4871.7 Ų71.726%0.25738%0.381SS..THydrogen-bonded Turntrans-97.48.7176.769.1-46000113.1F39 D58 V91 D92F39-N60 VanDerWaalsContact CZ-C 3.46Å; F39-N60 WeakPolarHBondContact CZ-O 3.3Å; D58-N60 VanDerWaalsContact CB-OD1 3.31Å; D58-N60 WeakPolarHBondContact CB-OD1 3.17Å; D58-N60 PolarHBondContact O-N 2.84Å; N60-V91 CarbonylContact O-C 3.56Å; N60-V91 WeakPolarHBondContact O-CA 3.37Å; N60-D92 HydrophobicContact CB-CB 4.33Å; N60-D92 PolarHBondContact ND2-O 3.16Å; N60-D92 PolarHBondContact O-N 3.14Å
61E85.7Confident77.9Confident37 Ų3764.1 Ų64.117%0.17335%0.345CS..EExtended strand (participates in β ladder)trans-114141.3173-64.5-163.4170.400110.7K24 I57 D58 V90 V91K24-E61 IonicContact NZ-OE1 3.24Å; K24-E61 PolarHBondContact NZ-OE1 3.42Å; K24-E61 IonicContact NZ-OE2 3.96Å; K24-E61 PolarHBondContact NZ-OE2 2.99Å; I57-E61 HydrophobicContact CG2-CB 4.25Å; I57-E61 WeakPolarHBondContact CG2-O 3.17Å; D58-E61 HydrophobicContact CB-CB 4.47Å; D58-E61 HydrophobicContact CB-CG 4.17Å; D58-E61 PolarHBondContact O-N 2.82Å; E61-V90 CarbonylContact C-O 2.98Å; E61-V90 WeakPolarHBondContact CA-O 3.25Å; E61-V91 HydrophobicContact CG-CG1 4.37Å; E61-V91 HydrophobicContact CG-CG2 3.89Å
62S86.5Confident79.6Confident6 Ų663.5 Ų63.54%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-137.6146.4179.7-172.30000110.5T43 N89 V90T43-S62 PolarHBondContact OG1-OG 2.89Å; S62-N89 WeakPolarHBondContact O-CA 3.3Å; S62-V90 PolarHBondContact N-O 3.34Å; S62-V90 PolarHBondContact O-N 2.82Å
63R88.9Confident81.5Confident40 Ų4063.9 Ų63.915%0.15134%0.343CS..EExtended strand (participates in β ladder)trans-117.5108.5177.3-69.1-164.9172.6163.27.3109.9A46 C55 F87 N89A46-R63 WeakPolarHBondContact CB-O 3.42Å; C55-R63 PolarHBondContact SG-NH1 3.26Å; C55-R63 PolarHBondContact SG-NH2 2.69Å; R63-F87 HydrophobicContact CB-CD1 4.45Å; R63-N89 WeakPolarHBondContact CG-OD1 3.4Å; R63-N89 PolarHBondContact NE-OD1 3.47Å
64V91.1Very high83.7Confident3 Ų358.7 Ų58.72%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-106.9131.3-176-169.30000109.5L42 V66 F87 L88 I295L42-V64 HydrophobicContact CB-CG2 4.03Å; L42-V64 HydrophobicContact CD2-CG1 4.44Å; L42-V64 HydrophobicContact CD2-CG2 3.97Å; V64-V66 PolarHBondContact O-N 3.3Å; V64-F87 CarbonylContact O-C 3.49Å; V64-F87 WeakPolarHBondContact O-CA 3.35Å; V64-L88 PolarHBondContact N-O 2.83Å; V64-L88 PolarHBondContact O-N 2.87Å; V64-I295 HydrophobicContact CG1-CD1 3.54Å; V64-I295 HydrophobicContact CG1-CG1 4.24Å
65A92.9Very high85.4Confident29 Ų2949.5 Ų49.524%0.2427%0.27CS..EExtended strand (participates in β ladder)trans-62.6133.9175.800000109.9V47 P67 P85 A86 F87V47-A65 HydrophobicContact CG2-CB 4.28Å; A65-P67 WeakPolarHBondContact O-CD 3.16Å; A65-P85 HydrophobicContact CB-CB 4.32Å; A65-P85 HydrophobicContact CB-CG 3.8Å; A65-A86 WeakPolarHBondContact CA-O 3.43Å; A65-F87 HydrophobicContact CB-CD1 4.45Å; A65-F87 HydrophobicContact CB-CE1 4.2Å
66V94.9Very high87.5Confident8 Ų854.2 Ų54.25%0.04829%0.287CS..PPolyproline II helixtrans-77.9116.4175.6-178.70000107.7V64 D68 A86 L88 I295 K296 Y299 Y306V64-V66 PolarHBondContact O-N 3.3Å; V66-D68 PolarHBondContact O-N 3.12Å; V66-A86 HydrophobicContact CB-CB 4.2Å; V66-A86 HydrophobicContact CG2-CB 4.15Å; V66-A86 PolarHBondContact N-O 2.83Å; V66-L88 HydrophobicContact CG2-CB 4.3Å; V66-I295 HydrophobicContact CB-CG2 4.44Å; V66-I295 HydrophobicContact CG2-CG2 4.16Å; V66-K296 HydrophobicContact CG1-CG 4.48Å; V66-Y299 HydrophobicContact CG2-CD2 3.51Å; V66-Y299 HydrophobicContact CG2-CE2 3.89Å; V66-Y299 HydrophobicContact CG2-CG 4.05Å; V66-Y306 HydrophobicContact CG1-CE1 4.4Å
67P93.4Very high89.4Confident44 Ų4451.9 Ų51.929%0.28627%0.266SS..PPolyproline II helixtrans-68.8128.1179.225.2-29.4000109.6A65 P292 K296A65-P67 WeakPolarHBondContact O-CD 3.16Å; P67-P292 HydrophobicContact CB-CB 4.39Å; P67-P292 HydrophobicContact CG-CB 3.68Å; P67-K296 WeakPolarHBondContact O-CE 3.22Å; P67-K296 PolarHBondContact O-NZ 2.92Å
68D96.2Very high91Very high13 Ų1351.3 Ų51.37%0.0726%0.261CS..  trans-148.1115.4178-172.1-1.3000111.5V66 R70 F71 D72 Y306V66-D68 PolarHBondContact O-N 3.12Å; D68-R70 PolarHBondContact O-N 2.99Å; D68-R70 VanDerWaalsContact O-N 3.17Å; D68-R70 WeakPolarHBondContact OD1-CB 3.37Å; D68-R70 WeakPolarHBondContact OD1-CG 3.5Å; D68-R70 PolarHBondContact OD1-N 3.36Å; D68-R70 IonicContact OD1-NE 2.82Å; D68-R70 PolarHBondContact OD1-NE 3.08Å; D68-R70 IonicContact OD2-CZ 3.14Å; D68-R70 VanDerWaalsContact OD2-CZ 3.28Å; D68-R70 IonicContact OD2-NE 2.65Å; D68-R70 PolarHBondContact OD2-NE 3.44Å; D68-R70 IonicContact OD2-NH2 3.82Å; D68-R70 PolarHBondContact OD2-NH2 2.83Å; D68-F71 HydrophobicContact CB-CB 4.09Å; D68-F71 WeakPolarHBondContact O-CB 3.45Å; D68-F71 PolarHBondContact O-N 3.35Å; D68-D72 PolarHBondContact O-N 2.91Å; D68-Y306 WeakPolarHBondContact OD2-CE2 3.41Å; D68-Y306 PolarHBondContact OD2-OH 3.12Å
69E96Very high92.2Very high153 Ų15355.9 Ų55.972%0.71528%0.277SS*.Hα-helixtrans-59.3-27.6177.1-64.3170.2-155.500112.3Y73E69-Y73 WeakPolarHBondContact O-CB 3.46Å; E69-Y73 PolarHBondContact O-N 2.89Å
70R97.7Very high93.6Very high52 Ų5250.2 Ų50.220%0.19624%0.24CC..Hα-helixtrans-66.5-45.1174.9-56.4177.8-65.4-172.6-1.2110.8D68 Y73 L74 Y306 F308 F349 D378D68-R70 PolarHBondContact O-N 2.99Å; D68-R70 VanDerWaalsContact O-N 3.17Å; D68-R70 WeakPolarHBondContact OD1-CB 3.37Å; D68-R70 WeakPolarHBondContact OD1-CG 3.5Å; D68-R70 PolarHBondContact OD1-N 3.36Å; D68-R70 IonicContact OD1-NE 2.82Å; D68-R70 PolarHBondContact OD1-NE 3.08Å; D68-R70 IonicContact OD2-CZ 3.14Å; D68-R70 VanDerWaalsContact OD2-CZ 3.28Å; D68-R70 IonicContact OD2-NE 2.65Å; D68-R70 PolarHBondContact OD2-NE 3.44Å; D68-R70 IonicContact OD2-NH2 3.82Å; D68-R70 PolarHBondContact OD2-NH2 2.83Å; R70-Y73 PolarHBondContact O-N 2.88Å; R70-L74 VanDerWaalsContact O-CG 3.25Å; R70-L74 WeakPolarHBondContact O-CG 3.36Å; R70-L74 PolarHBondContact O-N 2.91Å; R70-Y306 PolarHBondContact NH2-OH 3.23Å; R70-F308 HydrophobicContact CB-CE2 4.04Å; R70-F308 HydrophobicContact CB-CZ 4.08Å; R70-F349 VanDerWaalsContact CA-CE2 3.47Å; R70-F349 HydrophobicContact CB-CD1 4.18Å; R70-F349 HydrophobicContact CB-CD2 3.75Å; R70-F349 HydrophobicContact CB-CE1 4.08Å; R70-F349 HydrophobicContact CB-CE2 3.61Å; R70-F349 HydrophobicContact CB-CG 4.03Å; R70-F349 HydrophobicContact CB-CZ 3.78Å; R70-F349 HydrophobicContact CG-CD1 3.67Å; R70-F349 HydrophobicContact CG-CD2 4.19Å; R70-F349 HydrophobicContact CG-CE1 3.6Å; R70-F349 HydrophobicContact CG-CE2 4.1Å; R70-F349 HydrophobicContact CG-CG 3.98Å; R70-F349 HydrophobicContact CG-CZ 3.82Å; R70-F349 WeakPolarHBondContact O-CE2 3.48Å; R70-D378 IonicContact CZ-OD2 2.7Å; R70-D378 VanDerWaalsContact CZ-OD2 3.24Å; R70-D378 IonicContact NH1-OD2 3.39Å; R70-D378 PolarHBondContact NH1-OD2 2.9Å; R70-D378 IonicContact NH2-OD1 3.88Å; R70-D378 IonicContact NH2-OD2 3.95Å; R70-D378 PolarHBondContact NH2-OD2 2.91Å
71F97.4Very high94.2Very high16 Ų1655.8 Ų55.87%0.0726%0.264CS..Hα-helixtrans-64.1-43.5177.3175.9-99.2000111.2D68 L74 C75 K83 I84 P85 F308 V315 A317D68-F71 HydrophobicContact CB-CB 4.09Å; D68-F71 WeakPolarHBondContact O-CB 3.45Å; D68-F71 PolarHBondContact O-N 3.35Å; F71-L74 PolarHBondContact O-N 3.39Å; F71-C75 WeakPolarHBondContact CZ-SG 3.43Å; F71-C75 PolarHBondContact O-N 2.98Å; F71-C75 PolarHBondContact O-SG 3.01Å; F71-K83 HydrophobicContact CZ-CB 4.06Å; F71-I84 WeakPolarHBondContact CE2-O 3.29Å; F71-P85 HydrophobicContact CD1-CB 4.29Å; F71-P85 HydrophobicContact CE1-CB 3.93Å; F71-P85 HydrophobicContact CZ-CB 4.11Å; F71-F308 HydrophobicContact CB-CE1 3.88Å; F71-F308 HydrophobicContact CB-CZ 4.21Å; F71-F308 HydrophobicContact CD2-CD1 4.27Å; F71-F308 AromaticContact CD2-CE1 3.96Å; F71-F308 HydrophobicContact CD2-CE1 3.96Å; F71-F308 HydrophobicContact CG-CE1 4.42Å; F71-V315 HydrophobicContact CD2-CG1 4.08Å; F71-V315 HydrophobicContact CE2-CG1 3.89Å; F71-A317 HydrophobicContact CD2-CB 4.42Å
72D96.3Very high94.6Very high94 Ų9460.6 Ų60.650%0.50328%0.281SS..Hα-helixtrans-60.9-46.3177.8-64-30.3000111.2D68 L74 C75 E76D68-D72 PolarHBondContact O-N 2.91Å; D72-L74 PolarHBondContact O-N 2.96Å; D72-C75 WeakPolarHBondContact O-CB 3.44Å; D72-C75 PolarHBondContact O-N 2.99Å; D72-E76 PolarHBondContact O-N 3.37Å
73Y97.3Very high95Very high55 Ų5566.5 Ų66.522%0.21631%0.306CS..Hα-helixtrans-57.9-46.4174.5177.9-87.4000112.1E69 R70 C75 E76 F77 F349 K353E69-Y73 WeakPolarHBondContact O-CB 3.46Å; E69-Y73 PolarHBondContact O-N 2.89Å; R70-Y73 PolarHBondContact O-N 2.88Å; Y73-C75 VanDerWaalsContact C-N 3.3Å; Y73-C75 PolarHBondContact O-N 3.19Å; Y73-E76 PolarHBondContact O-N 3.07Å; Y73-F77 HydrophobicContact CE1-CB 4.25Å; Y73-F77 HydrophobicContact CE1-CD2 4.33Å; Y73-F77 HydrophobicContact CE1-CG 4.42Å; Y73-F77 VanDerWaalsContact O-CB 3.23Å; Y73-F77 WeakPolarHBondContact O-CB 3.27Å; Y73-F77 PolarHBondContact O-N 3.37Å; Y73-F349 AromaticContact CD1-CE2 3.68Å; Y73-F349 HydrophobicContact CD1-CE2 3.68Å; Y73-F349 HydrophobicContact CD1-CZ 4.03Å; Y73-F349 HydrophobicContact CG-CE2 4.14Å; Y73-F349 HydrophobicContact CG-CZ 4.13Å; Y73-K353 HydrophobicContact CD2-CD 4.5Å; Y73-K353 HydrophobicContact CE1-CB 4.29Å; Y73-K353 HydrophobicContact CE1-CG 4.31Å; Y73-K353 HydrophobicContact CE2-CD 4.39Å; Y73-K353 HydrophobicContact CE2-CG 4.03Å
74L97.1Very high95.3Very high0 Ų066.9 Ų66.90%031%0.31CS..Hα-helixtrans-63.4-38.2178.7-68.6174000111.8R70 F71 D72 F77 Y78 F308 T310 V315 F349 L352 I381R70-L74 VanDerWaalsContact O-CG 3.25Å; R70-L74 WeakPolarHBondContact O-CG 3.36Å; R70-L74 PolarHBondContact O-N 2.91Å; F71-L74 PolarHBondContact O-N 3.39Å; D72-L74 PolarHBondContact O-N 2.96Å; L74-F77 PolarHBondContact O-N 2.97Å; L74-Y78 HydrophobicContact CD2-CD2 4.44Å; L74-Y78 HydrophobicContact CD2-CE2 4.14Å; L74-Y78 WeakPolarHBondContact O-CB 3.31Å; L74-Y78 WeakPolarHBondContact O-CD2 3.28Å; L74-Y78 PolarHBondContact O-N 3.5Å; L74-F308 HydrophobicContact CD1-CB 3.83Å; L74-F308 HydrophobicContact CD1-CD1 4.07Å; L74-F308 HydrophobicContact CD1-CD2 3.53Å; L74-F308 HydrophobicContact CD1-CE2 4.02Å; L74-F308 HydrophobicContact CD1-CG 3.53Å; L74-F308 HydrophobicContact CD1-CZ 4.48Å; L74-T310 HydrophobicContact CB-CG2 4.38Å; L74-T310 HydrophobicContact CD1-CG2 3.97Å; L74-T310 HydrophobicContact CD2-CG2 4.08Å; L74-T310 HydrophobicContact CG-CG2 4.37Å; L74-V315 HydrophobicContact CB-CG1 3.89Å; L74-F349 HydrophobicContact CD1-CD2 4.37Å; L74-F349 HydrophobicContact CD2-CD2 4.29Å; L74-F349 HydrophobicContact CD2-CE2 4.43Å; L74-F349 HydrophobicContact CG-CD2 4.21Å; L74-F349 HydrophobicContact CG-CE2 4.2Å; L74-L352 HydrophobicContact CD2-CD2 3.64Å; L74-I381 HydrophobicContact CD1-CD1 4.28Å; L74-I381 HydrophobicContact CD1-CG1 4.37Å; L74-I381 HydrophobicContact CD2-CD1 3.73Å
75C96.6Very high95.5Very high7 Ų767.9 Ų67.95%0.04732%0.317CS..Hα-helixtrans-65.8-39.8175.2-70.80000112.2F71 D72 Y73 K79 P80 K83F71-C75 WeakPolarHBondContact CZ-SG 3.43Å; F71-C75 PolarHBondContact O-N 2.98Å; F71-C75 PolarHBondContact O-SG 3.01Å; D72-C75 WeakPolarHBondContact O-CB 3.44Å; D72-C75 PolarHBondContact O-N 2.99Å; Y73-C75 VanDerWaalsContact C-N 3.3Å; Y73-C75 PolarHBondContact O-N 3.19Å; C75-K79 VanDerWaalsContact O-CA 3.3Å; C75-K79 WeakPolarHBondContact O-CA 3.49Å; C75-K79 PolarHBondContact O-N 2.83Å; C75-P80 WeakPolarHBondContact O-CD 3.49Å; C75-K83 HydrophobicContact CB-CD 3.99Å; C75-K83 HydrophobicContact CB-CG 4.27Å
76E95.5Very high95.6Very high147 Ų14766.7 Ų66.769%0.68731%0.307SS*.Hα-helixtrans-67.8-41.7175.2-174.6177.3-176.900111.8D72 Y73 K79D72-E76 PolarHBondContact O-N 3.37Å; Y73-E76 PolarHBondContact O-N 3.07Å; E76-K79 VanDerWaalsContact O-CG 3.25Å; E76-K79 WeakPolarHBondContact O-CG 3.31Å
77F94.9Very high95.5Very high78 Ų7868 Ų6834%0.34231%0.312SS..Hα-helixtrans-68.2-50.2-177.5-173.6-91.5000112.6Y73 L74 G356Y73-F77 HydrophobicContact CE1-CB 4.25Å; Y73-F77 HydrophobicContact CE1-CD2 4.33Å; Y73-F77 HydrophobicContact CE1-CG 4.42Å; Y73-F77 VanDerWaalsContact O-CB 3.23Å; Y73-F77 WeakPolarHBondContact O-CB 3.27Å; Y73-F77 PolarHBondContact O-N 3.37Å; L74-F77 PolarHBondContact O-N 2.97Å; F77-G356 WeakPolarHBondContact CE2-O 3.46Å; F77-G356 WeakPolarHBondContact CZ-O 3.36Å
78Y94.9Very high95.6Very high42 Ų4266 Ų6617%0.16530%0.299CS..Hα-helixtrans-86.7-19.7-177.1-76.1-83.1000113.9L74 T310 V315 L352L74-Y78 HydrophobicContact CD2-CD2 4.44Å; L74-Y78 HydrophobicContact CD2-CE2 4.14Å; L74-Y78 WeakPolarHBondContact O-CB 3.31Å; L74-Y78 WeakPolarHBondContact O-CD2 3.28Å; L74-Y78 PolarHBondContact O-N 3.5Å; Y78-T310 HydrophobicContact CD2-CG2 4.04Å; Y78-T310 HydrophobicContact CE2-CG2 3.81Å; Y78-V315 HydrophobicContact CD2-CG2 4.47Å; Y78-V315 HydrophobicContact CG-CG2 4.49Å; Y78-L352 HydrophobicContact CE2-CD2 4.12Å
79K94.9Very high95.5Very high172 Ų17266.1 Ų66.175%0.74830%0.3SS*.  trans47.855.7-175.5-57.2-177.1-179.1179.90112.5C75 E76C75-K79 VanDerWaalsContact O-CA 3.3Å; C75-K79 WeakPolarHBondContact O-CA 3.49Å; C75-K79 PolarHBondContact O-N 2.83Å; E76-K79 VanDerWaalsContact O-CG 3.25Å; E76-K79 WeakPolarHBondContact O-CG 3.31Å
80P96Very high95.3Very high11 Ų1158.9 Ų58.97%0.07127%0.266CS..  trans-71.4156.2-173.434.4-39.5000112C75 R82 K83 K312 V315C75-P80 WeakPolarHBondContact O-CD 3.49Å; P80-R82 VanDerWaalsContact C-N 3.33Å; P80-R82 WeakPolarHBondContact CB-O 3.34Å; P80-K83 HydrophobicContact CG-CG 3.86Å; P80-K312 CarbonylContact C-O 3.47Å; P80-K312 WeakPolarHBondContact CA-O 3.42Å; P80-V315 HydrophobicContact CB-CB 4.36Å; P80-V315 HydrophobicContact CB-CG2 3.93Å; P80-V315 HydrophobicContact CG-CB 3.86Å; P80-V315 HydrophobicContact CG-CG2 3.61Å
81E94.7Very high95Very high164 Ų16456.6 Ų56.677%0.76626%0.258SS*.SBendtrans-64.3-39.1169.4-62.2-175.2170.300111.7K312E81-K312 PolarHBondContact N-O 2.63Å
82R94Very high94.6Very high139 Ų13957.5 Ų57.553%0.52526%0.264SS..EExtended strand (participates in β ladder)trans-118.4132.6-179.9-64.2-179.9-65.3164.16.2112.2P80 D313 E314 V315P80-R82 VanDerWaalsContact C-N 3.33Å; P80-R82 WeakPolarHBondContact CB-O 3.34Å; R82-D313 PolarHBondContact N-O 3.16Å; R82-E314 HydrophobicContact CB-CB 4.31Å; R82-E314 HydrophobicContact CB-CG 4.1Å; R82-E314 IonicContact CZ-OE2 3.26Å; R82-E314 IonicContact NE-OE2 3.44Å; R82-E314 IonicContact NH1-OE2 2.86Å; R82-E314 PolarHBondContact NH1-OE2 2.75Å; R82-E314 IonicContact NH2-OE2 3.22Å; R82-E314 PolarHBondContact NH2-OE2 2.96Å; R82-E314 WeakPolarHBondContact O-CA 3.33Å; R82-V315 PolarHBondContact O-N 3.27Å
83K94.7Very high94Very high129 Ų12953.1 Ų53.156%0.56124%0.24SC*.EExtended strand (participates in β ladder)trans-118.4107.7178.2-58.7177.8-175.3-1800108.7F71 C75 P80F71-K83 HydrophobicContact CZ-CB 4.06Å; C75-K83 HydrophobicContact CB-CD 3.99Å; C75-K83 HydrophobicContact CB-CG 4.27Å; P80-K83 HydrophobicContact CG-CG 3.86Å
84I94.4Very high92.8Very high48 Ų4851.9 Ų51.925%0.24624%0.241CC..EExtended strand (participates in β ladder)trans-118.298.6-175.4-56.2-178.7000109.9F71 F87 E314 V315 K316 A317F71-I84 WeakPolarHBondContact CE2-O 3.29Å; I84-F87 HydrophobicContact CG2-CE2 4.37Å; I84-E314 HydrophobicContact CD1-CG 4.31Å; I84-E314 VanDerWaalsContact CD1-OE2 3.27Å; I84-E314 WeakPolarHBondContact CD1-OE2 3.3Å; I84-V315 PolarHBondContact N-O 3.46Å; I84-K316 HydrophobicContact CB-CB 4.05Å; I84-K316 HydrophobicContact CB-CD 4.11Å; I84-K316 HydrophobicContact CB-CG 3.84Å; I84-K316 HydrophobicContact CD1-CD 4.1Å; I84-K316 HydrophobicContact CG2-CD 4.03Å; I84-K316 HydrophobicContact CG2-CG 3.92Å; I84-K316 CarbonylContact O-C 3.4Å; I84-K316 VanDerWaalsContact O-CA 3.29Å; I84-K316 WeakPolarHBondContact O-CA 3.44Å; I84-A317 PolarHBondContact O-N 3.32Å
85P95.4Very high91.2Very high24 Ų2453 Ų5316%0.15625%0.252CS..  trans-73.3174178.332.6-35.7000111.4A65 F71 F87A65-P85 HydrophobicContact CB-CB 4.32Å; A65-P85 HydrophobicContact CB-CG 3.8Å; F71-P85 HydrophobicContact CD1-CB 4.29Å; F71-P85 HydrophobicContact CE1-CB 3.93Å; F71-P85 HydrophobicContact CZ-CB 4.11Å; P85-F87 HydrophobicContact CG-CE1 4.26Å; P85-F87 HydrophobicContact CG-CE2 4.14Å; P85-F87 HydrophobicContact CG-CZ 3.75Å; P85-F87 VanDerWaalsContact O-CD2 3.29Å; P85-F87 WeakPolarHBondContact O-CD2 3.38Å; P85-F87 WeakPolarHBondContact O-CE2 3.37Å
86A95.1Very high89.8Confident4 Ų452.7 Ų52.73%0.03325%0.25CS..  trans-75.7154.1166.500000109.3A65 V66 Y299 Y306 A317A65-A86 WeakPolarHBondContact CA-O 3.43Å; V66-A86 HydrophobicContact CB-CB 4.2Å; V66-A86 HydrophobicContact CG2-CB 4.15Å; V66-A86 PolarHBondContact N-O 2.83Å; A86-Y299 HydrophobicContact CB-CE2 4.3Å; A86-Y306 HydrophobicContact CB-CD1 3.71Å; A86-Y306 HydrophobicContact CB-CE1 3.99Å; A86-Y306 HydrophobicContact CB-CG 4.14Å; A86-A317 HydrophobicContact CB-CB 4.02Å
87F93.8Very high88.1Confident36 Ų3647.8 Ų47.816%0.15823%0.231CC..EExtended strand (participates in β ladder)trans-123.5136.5-178.6-65.4-87.6000111V47 F52 R63 V64 A65 I84 P85V47-F87 HydrophobicContact CB-CE1 4.01Å; V47-F87 HydrophobicContact CG2-CE1 3.76Å; V47-F87 HydrophobicContact CG2-CZ 4.43Å; F52-F87 HydrophobicContact CE1-CD2 4.49Å; F52-F87 HydrophobicContact CE1-CE2 4.24Å; F52-F87 HydrophobicContact CE2-CE1 4.3Å; F52-F87 HydrophobicContact CE2-CZ 4.26Å; F52-F87 HydrophobicContact CZ-CD1 4.35Å; F52-F87 AromaticContact CZ-CD2 3.93Å; F52-F87 HydrophobicContact CZ-CD2 3.93Å; F52-F87 HydrophobicContact CZ-CE1 4Å; F52-F87 AromaticContact CZ-CE2 3.56Å; F52-F87 HydrophobicContact CZ-CE2 3.56Å; F52-F87 HydrophobicContact CZ-CG 4.33Å; F52-F87 AromaticContact CZ-CZ 3.6Å; F52-F87 HydrophobicContact CZ-CZ 3.6Å; R63-F87 HydrophobicContact CB-CD1 4.45Å; V64-F87 CarbonylContact O-C 3.49Å; V64-F87 WeakPolarHBondContact O-CA 3.35Å; A65-F87 HydrophobicContact CB-CD1 4.45Å; A65-F87 HydrophobicContact CB-CE1 4.2Å; I84-F87 HydrophobicContact CG2-CE2 4.37Å; P85-F87 HydrophobicContact CG-CE1 4.26Å; P85-F87 HydrophobicContact CG-CE2 4.14Å; P85-F87 HydrophobicContact CG-CZ 3.75Å; P85-F87 VanDerWaalsContact O-CD2 3.29Å; P85-F87 WeakPolarHBondContact O-CD2 3.38Å; P85-F87 WeakPolarHBondContact O-CE2 3.37Å
88L94.4Very high86.3Confident2 Ų249.9 Ų49.91%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-93.9121.9166.4-176.867000108.7V25 V64 V66 V90 F121 I295 Y299 L302V25-L88 HydrophobicContact CG2-CD1 3.73Å; V25-L88 HydrophobicContact CG2-CG 4.44Å; V64-L88 PolarHBondContact N-O 2.83Å; V64-L88 PolarHBondContact O-N 2.87Å; V66-L88 HydrophobicContact CG2-CB 4.3Å; L88-V90 HydrophobicContact CD2-CG2 3.84Å; L88-V90 HydrophobicContact CG-CG2 3.88Å; L88-F121 HydrophobicContact CD2-CE2 4.2Å; L88-F121 HydrophobicContact CD2-CZ 4.29Å; L88-I295 HydrophobicContact CB-CG2 4.15Å; L88-I295 HydrophobicContact CD2-CB 4.43Å; L88-I295 HydrophobicContact CD2-CG2 4.03Å; L88-Y299 HydrophobicContact CB-CD2 4.47Å; L88-Y299 HydrophobicContact CD1-CD2 4.2Å; L88-L302 HydrophobicContact CD1-CD1 3.68Å
89N93.5Very high84.7Confident15 Ų1548.3 Ų48.38%0.0824%0.236CC..EExtended strand (participates in β ladder)trans-83.5123.5169.8-57.7-56.6000109.2N22 L23 K24 V25 S62 R63N22-N89 PolarHBondContact OD1-ND2 3.23Å; L23-N89 PolarHBondContact O-ND2 2.96Å; K24-N89 WeakPolarHBondContact CA-O 3.39Å; K24-N89 HydrophobicContact CB-CB 4.3Å; K24-N89 HydrophobicContact CG-CB 3.88Å; V25-N89 PolarHBondContact N-O 3.11Å; S62-N89 WeakPolarHBondContact O-CA 3.3Å; R63-N89 WeakPolarHBondContact CG-OD1 3.4Å; R63-N89 PolarHBondContact NE-OD1 3.47Å
90V93.4Very high83.2Confident1 Ų140.1 Ų40.11%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-120137.5178.9-172.60000109.5V25 I27 L42 E61 S62 L88V25-V90 CarbonylContact O-C 3.57Å; V25-V90 WeakPolarHBondContact O-CA 3.33Å; I27-V90 HydrophobicContact CD1-CG1 3.64Å; I27-V90 HydrophobicContact CG1-CG1 3.72Å; L42-V90 HydrophobicContact CD1-CB 4.42Å; L42-V90 HydrophobicContact CD1-CG1 3.92Å; L42-V90 HydrophobicContact CD1-CG2 4.33Å; E61-V90 CarbonylContact C-O 2.98Å; E61-V90 WeakPolarHBondContact CA-O 3.25Å; S62-V90 PolarHBondContact N-O 3.34Å; S62-V90 PolarHBondContact O-N 2.82Å; L88-V90 HydrophobicContact CD2-CG2 3.84Å; L88-V90 HydrophobicContact CG-CG2 3.88Å
91V91.3Very high81.5Confident5 Ų539.8 Ų39.83%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-119127.4179.4-178.90000108.5K24 V25 G26 I27 N60 E61 V93K24-V91 HydrophobicContact CB-CG2 4Å; K24-V91 HydrophobicContact CD-CG2 3.82Å; K24-V91 HydrophobicContact CG-CG2 4.42Å; V25-V91 PolarHBondContact O-N 3.07Å; G26-V91 CarbonylContact C-O 3.52Å; G26-V91 WeakPolarHBondContact CA-O 3.3Å; I27-V91 PolarHBondContact N-O 3.13Å; N60-V91 CarbonylContact O-C 3.56Å; N60-V91 WeakPolarHBondContact O-CA 3.37Å; E61-V91 HydrophobicContact CG-CG1 4.37Å; E61-V91 HydrophobicContact CG-CG2 3.89Å; V91-V93 PolarHBondContact O-N 3.14Å
92D89.2Confident79.9Confident35 Ų3537.7 Ų37.719%0.18719%0.193CC..EExtended strand (participates in β ladder)trans-75.1114.6166.2-166.626.6000108.9F39 N60F39-D92 HydrophobicContact CB-CB 4.37Å; F39-D92 HydrophobicContact CD1-CB 4.04Å; F39-D92 HydrophobicContact CD2-CB 3.73Å; F39-D92 HydrophobicContact CE1-CB 4.25Å; F39-D92 HydrophobicContact CE2-CB 3.94Å; F39-D92 HydrophobicContact CG-CB 3.78Å; F39-D92 HydrophobicContact CZ-CB 4.2Å; N60-D92 HydrophobicContact CB-CB 4.33Å; N60-D92 PolarHBondContact ND2-O 3.16Å; N60-D92 PolarHBondContact O-N 3.14Å
93V83.4Confident78.3Confident1 Ų132.7 Ų32.71%0.00618%0.184CC..PPolyproline II helixtrans-92.2143.3175.7-177.40000107.5I27 V28 V91 F110 H113I27-V93 VanDerWaalsContact O-CB 3.27Å; I27-V93 WeakPolarHBondContact O-CB 3.38Å; I27-V93 PolarHBondContact O-N 2.88Å; V28-V93 HydrophobicContact CG2-CB 4.37Å; V28-V93 HydrophobicContact CG2-CG1 4.49Å; V28-V93 HydrophobicContact CG2-CG2 4.4Å; V91-V93 PolarHBondContact O-N 3.14Å; V93-F110 HydrophobicContact CG1-CD2 3.61Å; V93-F110 HydrophobicContact CG1-CE2 3.65Å; V93-F110 HydrophobicContact CG1-CG 4.15Å; V93-F110 HydrophobicContact CG1-CZ 4.3Å; V93-H113 HydrophobicContact CB-CB 4.48Å; V93-H113 HydrophobicContact CG1-CB 3.87Å; V93-H113 HydrophobicContact CG2-CB 4.33Å
94A71.5Confident76.4Confident29 Ų2931.3 Ų31.324%0.2418%0.182CC..PPolyproline II helixtrans-51160.6176.100000111.4L96 F110A94-L96 PolarHBondContact O-N 3.48Å; A94-F110 WeakPolarHBondContact O-CD2 3.39Å
95G64.6Low74.6Confident23 Ų2332.1 Ų32.124%0.23720%0.202CC..PPolyproline II helixtrans-66.5135173.500000111.7
96L66.6Low72.8Confident1 Ų136.5 Ų36.51%0.00522%0.224CC..PPolyproline II helixtrans-83.5128170.7-172.275.1000109.9G29 L30 P31 A94 A100 F110 I148 E151G29-L96 PolarHBondContact O-N 3.41Å; L30-L96 WeakPolarHBondContact CD2-O 3.23Å; P31-L96 VanDerWaalsContact CD-O 3.3Å; P31-L96 WeakPolarHBondContact CD-O 3.46Å; A94-L96 PolarHBondContact O-N 3.48Å; L96-A100 HydrophobicContact CD1-CB 3.35Å; L96-A100 HydrophobicContact CG-CB 4.3Å; L96-F110 HydrophobicContact CB-CD2 3.74Å; L96-F110 HydrophobicContact CB-CE2 3.66Å; L96-F110 HydrophobicContact CB-CG 4.27Å; L96-F110 HydrophobicContact CB-CZ 4.07Å; L96-F110 HydrophobicContact CD1-CB 4.32Å; L96-F110 HydrophobicContact CD1-CD1 3.45Å; L96-F110 VanDerWaalsContact CD1-CD1 3.45Å; L96-F110 HydrophobicContact CD1-CD2 3.99Å; L96-F110 HydrophobicContact CD1-CE1 3.7Å; L96-F110 HydrophobicContact CD1-CE2 4.26Å; L96-F110 HydrophobicContact CD1-CG 3.63Å; L96-F110 HydrophobicContact CD1-CZ 4.11Å; L96-F110 HydrophobicContact CG-CD2 4.49Å; L96-F110 HydrophobicContact CG-CE2 4.48Å; L96-F110 HydrophobicContact CG-CZ 4.48Å; L96-I148 HydrophobicContact CD2-CB 4.25Å; L96-I148 HydrophobicContact CD2-CG1 3.74Å; L96-I148 HydrophobicContact CD2-CG2 4.39Å; L96-E151 HydrophobicContact CD2-CB 4.13Å; L96-E151 HydrophobicContact CD2-CG 4.22Å
97T58.8Low71.1Confident45 Ų4536.3 Ų36.328%0.27622%0.222SC..  trans-107150.4165.552.60000109.7P31 A100P31-T97 HydrophobicContact CG-CG2 4.15Å; T97-A100 WeakPolarHBondContact O-CB 3.25Å; T97-A100 PolarHBondContact O-N 3.45Å
98K58.3Low69.9Low121 Ų12139.1 Ų39.153%0.52624%0.239SC..THydrogen-bonded Turntrans-55.2140174.4-170.6177.3-175.2174.20111.4E136 I147K98-E136 IonicContact NZ-OE2 3.61Å; K98-I147 HydrophobicContact CB-CG2 4.43Å; K98-I147 HydrophobicContact CG-CG2 4.44Å
99G60.5Low68.6Low9 Ų940.7 Ų40.79%0.09325%0.252CS..THydrogen-bonded Turntrans83.613.7-174.100000114.1S101 D102 G103 I104 E151G99-S101 PolarHBondContact O-N 2.74Å; G99-D102 PolarHBondContact O-N 2.99Å; G99-D102 VanDerWaalsContact O-N 3.09Å; G99-G103 PolarHBondContact O-N 3.02Å; G99-I104 WeakPolarHBondContact O-CB 3.48Å; G99-I104 PolarHBondContact O-N 3.44Å; G99-I104 VanDerWaalsContact O-N 3.11Å; G99-E151 WeakPolarHBondContact CA-OE1 3.4Å; G99-E151 PolarHBondContact N-OE1 3.45Å
100A62.6Low67.6Low0 Ų040 Ų400%025%0.248CC..G310 helixtrans-61-33.5178.500000112.4L96 T97 D102 G103 G107 E151L96-A100 HydrophobicContact CD1-CB 3.35Å; L96-A100 HydrophobicContact CG-CB 4.3Å; T97-A100 WeakPolarHBondContact O-CB 3.25Å; T97-A100 PolarHBondContact O-N 3.45Å; A100-D102 PolarHBondContact O-N 3.47Å; A100-G103 PolarHBondContact O-N 2.97Å; A100-G103 VanDerWaalsContact O-N 3.16Å; A100-G107 VanDerWaalsContact CB-CA 3.48Å; A100-E151 PolarHBondContact N-OE2 3.03Å
101S61.2Low66.7Low5 Ų540.5 Ų40.54%0.03525%0.251CS..G310 helixtrans-61.8-31.8174.866.20000113G99 G103 E151 Q158G99-S101 PolarHBondContact O-N 2.74Å; S101-G103 VanDerWaalsContact C-N 3.27Å; S101-E151 WeakPolarHBondContact CB-OE2 3.3Å; S101-E151 PolarHBondContact N-OE2 2.93Å; S101-E151 PolarHBondContact OG-OE2 2.91Å; S101-Q158 PolarHBondContact O-NE2 3.08Å; S101-Q158 PolarHBondContact O-OE1 3.41Å
102D60.6Low66Low119 Ų11943.5 Ų43.564%0.63627%0.272SS*.G310 helixtrans-88.44.5-179.7-61.4-23.8000112.3G99 A100 I104G99-D102 PolarHBondContact O-N 2.99Å; G99-D102 VanDerWaalsContact O-N 3.09Å; A100-D102 PolarHBondContact O-N 3.47Å; D102-I104 HydrophobicContact CB-CG1 4.43Å
103G60.2Low65.7Low34 Ų3445.2 Ų45.235%0.35128%0.279SS..THydrogen-bonded Turntrans80.614.7-18000000114G99 A100 S101 G105G99-G103 PolarHBondContact O-N 3.02Å; A100-G103 PolarHBondContact O-N 2.97Å; A100-G103 VanDerWaalsContact O-N 3.16Å; S101-G103 VanDerWaalsContact C-N 3.27Å; G103-G105 PolarHBondContact O-N 3.26Å
104I56.5Low65.9Low101 Ų10145.1 Ų45.152%0.51828%0.278SS..  trans-75.5126.1176.3-56.9176.4000109.2G99 D102G99-I104 WeakPolarHBondContact O-CB 3.48Å; G99-I104 PolarHBondContact O-N 3.44Å; G99-I104 VanDerWaalsContact O-N 3.11Å; D102-I104 HydrophobicContact CB-CG1 4.43Å
105G56.6Low66.7Low64 Ų6447.2 Ų47.266%0.6629%0.285SS*.THydrogen-bonded Turntrans70.1-144.4175.800000114.4G103 G107G103-G105 PolarHBondContact O-N 3.26Å; G105-G107 PolarHBondContact O-N 3.25Å; G105-G107 VanDerWaalsContact O-N 3.15Å
106L56.1Low67.8Low117 Ų11748.2 Ų48.261%0.61329%0.292SS*.THydrogen-bonded Turntrans-76.310.3179.9-70.5164.7000113.3N108 A109 F110L106-N108 PolarHBondContact O-N 3.45Å; L106-A109 PolarHBondContact O-N 3.48Å; L106-A109 VanDerWaalsContact O-N 3.07Å; L106-F110 PolarHBondContact O-N 3.02Å
107G61Low69.1Low0 Ų048.2 Ų48.20%029%0.292CS..Hα-helixtrans-56.2-41-172.400000114.9A100 G105 A109 F110 L111A100-G107 VanDerWaalsContact CB-CA 3.48Å; G105-G107 PolarHBondContact O-N 3.25Å; G105-G107 VanDerWaalsContact O-N 3.15Å; G107-A109 PolarHBondContact O-N 2.84Å; G107-F110 WeakPolarHBondContact O-CB 3.43Å; G107-F110 PolarHBondContact O-N 3.42Å; G107-L111 WeakPolarHBondContact O-CD1 3.27Å; G107-L111 WeakPolarHBondContact O-CG 3.38Å; G107-L111 PolarHBondContact O-N 2.95Å
108N67.8Low70.9Confident94 Ų9446.8 Ų46.850%0.50328%0.282SS..Hα-helixtrans-68.5-34177.9-77.2-35.5000113L106 L111 S112L106-N108 PolarHBondContact O-N 3.45Å; N108-L111 PolarHBondContact O-N 3.12Å; N108-S112 PolarHBondContact O-N 2.92Å; N108-S112 VanDerWaalsContact O-N 3.09Å
109A67.8Low72.7Confident35 Ų3541 Ų4129%0.28926%0.257SS..Hα-helixtrans-72-38.8175.700000111.5L106 G107 L111 S112 H113L106-A109 PolarHBondContact O-N 3.48Å; L106-A109 VanDerWaalsContact O-N 3.07Å; G107-A109 PolarHBondContact O-N 2.84Å; A109-L111 VanDerWaalsContact C-N 3.29Å; A109-L111 PolarHBondContact O-N 3.38Å; A109-S112 PolarHBondContact O-N 3.09Å; A109-S112 PolarHBondContact O-OG 2.97Å; A109-H113 PolarHBondContact O-CD2 2.98Å; A109-H113 VanDerWaalsContact O-CD2 3.3Å; A109-H113 PolarHBondContact O-N 3.04Å; A109-H113 VanDerWaalsContact O-N 3.14Å
110F71.9Confident74.4Confident0 Ų040.7 Ų40.70%025%0.253CS..Hα-helixtrans-53.5-50170.2176.1-83000111.1V28 V93 A94 L96 L106 G107 S112 H113 I114 L152V28-F110 HydrophobicContact CB-CE2 4.32Å; V28-F110 HydrophobicContact CB-CZ 4.11Å; V28-F110 HydrophobicContact CG1-CE2 3.88Å; V28-F110 HydrophobicContact CG1-CZ 3.47Å; V28-F110 VanDerWaalsContact CG1-CZ 3.47Å; V28-F110 HydrophobicContact CG2-CE2 3.97Å; V28-F110 HydrophobicContact CG2-CZ 3.64Å; V93-F110 HydrophobicContact CG1-CD2 3.61Å; V93-F110 HydrophobicContact CG1-CE2 3.65Å; V93-F110 HydrophobicContact CG1-CG 4.15Å; V93-F110 HydrophobicContact CG1-CZ 4.3Å; A94-F110 WeakPolarHBondContact O-CD2 3.39Å; L96-F110 HydrophobicContact CB-CD2 3.74Å; L96-F110 HydrophobicContact CB-CE2 3.66Å; L96-F110 HydrophobicContact CB-CG 4.27Å; L96-F110 HydrophobicContact CB-CZ 4.07Å; L96-F110 HydrophobicContact CD1-CB 4.32Å; L96-F110 HydrophobicContact CD1-CD1 3.45Å; L96-F110 VanDerWaalsContact CD1-CD1 3.45Å; L96-F110 HydrophobicContact CD1-CD2 3.99Å; L96-F110 HydrophobicContact CD1-CE1 3.7Å; L96-F110 HydrophobicContact CD1-CE2 4.26Å; L96-F110 HydrophobicContact CD1-CG 3.63Å; L96-F110 HydrophobicContact CD1-CZ 4.11Å; L96-F110 HydrophobicContact CG-CD2 4.49Å; L96-F110 HydrophobicContact CG-CE2 4.48Å; L96-F110 HydrophobicContact CG-CZ 4.48Å; L106-F110 PolarHBondContact O-N 3.02Å; G107-F110 WeakPolarHBondContact O-CB 3.43Å; G107-F110 PolarHBondContact O-N 3.42Å; F110-S112 PolarHBondContact O-N 3.21Å; F110-H113 PolarHBondContact O-N 3.3Å; F110-I114 HydrophobicContact CD1-CG2 4.4Å; F110-I114 HydrophobicContact CE1-CB 4.48Å; F110-I114 HydrophobicContact CE1-CD1 4.14Å; F110-I114 HydrophobicContact CE1-CG2 4.19Å; F110-I114 HydrophobicContact CZ-CD1 4.26Å; F110-I114 WeakPolarHBondContact O-CG2 3.5Å; F110-I114 PolarHBondContact O-N 2.82Å; F110-L152 HydrophobicContact CE1-CD2 4.26Å
111L73.7Confident76Confident12 Ų1240.8 Ų40.86%0.06325%0.254CS..Hα-helixtrans-71.5-30.6-173.4-64.9163.9000112.5G107 N108 A109 I114 N115 L152 K155 L219G107-L111 WeakPolarHBondContact O-CD1 3.27Å; G107-L111 WeakPolarHBondContact O-CG 3.38Å; G107-L111 PolarHBondContact O-N 2.95Å; N108-L111 PolarHBondContact O-N 3.12Å; A109-L111 VanDerWaalsContact C-N 3.29Å; A109-L111 PolarHBondContact O-N 3.38Å; L111-I114 HydrophobicContact CD2-CG2 4.49Å; L111-I114 VanDerWaalsContact O-CG2 3.3Å; L111-I114 WeakPolarHBondContact O-CG2 3.4Å; L111-N115 WeakPolarHBondContact O-CB 3.45Å; L111-N115 PolarHBondContact O-N 2.93Å; L111-L152 HydrophobicContact CD2-CD2 4.35Å; L111-K155 HydrophobicContact CD1-CB 4.34Å; L111-K155 HydrophobicContact CD1-CD 3.67Å; L111-K155 HydrophobicContact CD1-CG 3.79Å; L111-K155 HydrophobicContact CD2-CB 4.2Å; L111-K155 HydrophobicContact CD2-CG 4.06Å; L111-K155 HydrophobicContact CG-CG 4.37Å; L111-L219 HydrophobicContact CD2-CD1 3.63Å
112S76.9Confident77.7Confident68 Ų6840.6 Ų40.648%0.47625%0.253SS..Hα-helixtrans-70.9-40.7173.565.80000112.1N108 A109 F110 N115 A116N108-S112 PolarHBondContact O-N 2.92Å; N108-S112 VanDerWaalsContact O-N 3.09Å; A109-S112 PolarHBondContact O-N 3.09Å; A109-S112 PolarHBondContact O-OG 2.97Å; F110-S112 PolarHBondContact O-N 3.21Å; S112-N115 PolarHBondContact O-N 2.58Å; S112-A116 PolarHBondContact O-N 3.43Å
113H82.8Confident79.3Confident71 Ų7135 Ų3533%0.32922%0.223SC..Hα-helixtrans-67.3-45.1179.3-72.5-165.4000111.8V93 A109 F110 N115 A116 C117V93-H113 HydrophobicContact CB-CB 4.48Å; V93-H113 HydrophobicContact CG1-CB 3.87Å; V93-H113 HydrophobicContact CG2-CB 4.33Å; A109-H113 PolarHBondContact O-CD2 2.98Å; A109-H113 VanDerWaalsContact O-CD2 3.3Å; A109-H113 PolarHBondContact O-N 3.04Å; A109-H113 VanDerWaalsContact O-N 3.14Å; F110-H113 PolarHBondContact O-N 3.3Å; H113-N115 VanDerWaalsContact C-N 3.27Å; H113-N115 PolarHBondContact O-N 3.47Å; H113-A116 WeakPolarHBondContact O-CB 3.5Å; H113-A116 PolarHBondContact O-N 3.26Å; H113-C117 PolarHBondContact O-SG 3.15Å; H113-C117 VanDerWaalsContact O-SG 3.41Å
114I88.3Confident81Confident0 Ų033.6 Ų33.60%021%0.207CC..Hα-helixtrans-65.5-31177-165.7178.8000111.9V28 F110 L111 A116 C117 V120 L152 L219 K222V28-I114 HydrophobicContact CG2-CD1 3.84Å; V28-I114 HydrophobicContact CG2-CG1 4.29Å; F110-I114 HydrophobicContact CD1-CG2 4.4Å; F110-I114 HydrophobicContact CE1-CB 4.48Å; F110-I114 HydrophobicContact CE1-CD1 4.14Å; F110-I114 HydrophobicContact CE1-CG2 4.19Å; F110-I114 HydrophobicContact CZ-CD1 4.26Å; F110-I114 WeakPolarHBondContact O-CG2 3.5Å; F110-I114 PolarHBondContact O-N 2.82Å; L111-I114 HydrophobicContact CD2-CG2 4.49Å; L111-I114 VanDerWaalsContact O-CG2 3.3Å; L111-I114 WeakPolarHBondContact O-CG2 3.4Å; I114-A116 VanDerWaalsContact C-N 3.27Å; I114-A116 PolarHBondContact O-N 3.45Å; I114-C117 WeakPolarHBondContact O-CB 3.39Å; I114-C117 PolarHBondContact O-N 3.16Å; I114-C117 VanDerWaalsContact O-N 3.09Å; I114-V120 HydrophobicContact CD1-CG2 3.94Å; I114-V120 HydrophobicContact CG1-CG2 4.14Å; I114-L152 HydrophobicContact CD1-CD2 3.78Å; I114-L219 HydrophobicContact CG2-CD1 4.11Å; I114-L219 HydrophobicContact CG2-CD2 3.8Å; I114-K222 VanDerWaalsContact O-CE 3.24Å; I114-K222 WeakPolarHBondContact O-CE 3.44Å
115N87.6Confident82.8Confident72 Ų7228.9 Ų28.939%0.38518%0.183SC..Hα-helixtrans-64.8-31.6175.9-167.224.7000112.6L111 S112 H113 C117 L219L111-N115 WeakPolarHBondContact O-CB 3.45Å; L111-N115 PolarHBondContact O-N 2.93Å; S112-N115 PolarHBondContact O-N 2.58Å; H113-N115 VanDerWaalsContact C-N 3.27Å; H113-N115 PolarHBondContact O-N 3.47Å; N115-C117 PolarHBondContact O-N 2.84Å; N115-L219 HydrophobicContact CB-CD2 4.09Å
116A88.4Confident84.7Confident45 Ų4525.9 Ų25.937%0.37215%0.152SC..Hα-helixtrans-68.9-22.4174.600000113R18 S112 H113 I114R18-A116 PolarHBondContact NH1-O 2.92Å; S112-A116 PolarHBondContact O-N 3.43Å; H113-A116 WeakPolarHBondContact O-CB 3.5Å; H113-A116 PolarHBondContact O-N 3.26Å; I114-A116 VanDerWaalsContact C-N 3.27Å; I114-A116 PolarHBondContact O-N 3.45Å
117C93.9Very high86.4Confident0 Ų022 Ų220%013%0.13CC..  trans-85.1165.6179.9-57.40000112.6G26 H113 I114 N115 K222G26-C117 VanDerWaalsContact CA-SG 3.56Å; H113-C117 PolarHBondContact O-SG 3.15Å; H113-C117 VanDerWaalsContact O-SG 3.41Å; I114-C117 WeakPolarHBondContact O-CB 3.39Å; I114-C117 PolarHBondContact O-N 3.16Å; I114-C117 VanDerWaalsContact O-N 3.09Å; N115-C117 PolarHBondContact O-N 2.84Å; C117-K222 WeakPolarHBondContact O-CE 3.41Å; C117-K222 PolarHBondContact O-NZ 2.86Å
118D95.6Very high87.7Confident15 Ų1528.1 Ų28.18%0.0816%0.158CC..SBendtrans-120.3-17.2-176.2-53.9-76000112.7R18 L23 K24 P223 L302R18-D118 WeakPolarHBondContact CB-OD1 3.48Å; R18-D118 WeakPolarHBondContact CD-OD1 3.27Å; R18-D118 IonicContact CZ-OD1 3.18Å; R18-D118 VanDerWaalsContact CZ-OD1 3.26Å; R18-D118 IonicContact NE-OD1 2.88Å; R18-D118 PolarHBondContact NE-OD1 3.05Å; R18-D118 IonicContact NH1-OD1 2.63Å; R18-D118 PolarHBondContact NH1-OD1 3.28Å; R18-D118 IonicContact NH1-OD2 2.69Å; R18-D118 PolarHBondContact NH1-OD2 3.36Å; L23-D118 VanDerWaalsContact CA-OD2 3.23Å; L23-D118 WeakPolarHBondContact CA-OD2 3.18Å; L23-D118 HydrophobicContact CB-CB 4.03Å; L23-D118 WeakPolarHBondContact CB-OD2 3.35Å; L23-D118 HydrophobicContact CD1-CB 4.49Å; L23-D118 HydrophobicContact CD2-CB 4.22Å; L23-D118 HydrophobicContact CG-CB 4.48Å; K24-D118 PolarHBondContact N-OD2 3.41Å; K24-D118 PolarHBondContact O-N 2.74Å; D118-P223 WeakPolarHBondContact O-CD 3.41Å; D118-L302 HydrophobicContact CB-CD2 3.71Å
119A96Very high88.6Confident0 Ų027.1 Ų27.10%015%0.153CC..EExtended strand (participates in β ladder)trans-143.5169.1168.100000110.3K24 V25 G26 P223 A301 L302K24-A119 PolarHBondContact O-N 3Å; V25-A119 WeakPolarHBondContact CA-O 3.18Å; V25-A119 HydrophobicContact CG1-CB 4.26Å; V25-A119 HydrophobicContact CG2-CB 4.28Å; G26-A119 PolarHBondContact N-O 3.13Å; A119-P223 WeakPolarHBondContact CA-O 3.37Å; A119-P223 HydrophobicContact CB-CG 3.88Å; A119-A301 HydrophobicContact CB-CB 4.23Å; A119-L302 HydrophobicContact CB-CD2 3.51Å; A119-L302 HydrophobicContact CB-CG 4.15Å
120V95.9Very high89.2Confident2 Ų235 Ų351%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-125.8129.4-177-178.40000110.9G26 V28 I114 E122 K222 P223 I224 V225G26-V120 WeakPolarHBondContact O-CA 3.29Å; V28-V120 HydrophobicContact CB-CG1 3.65Å; V28-V120 HydrophobicContact CG1-CG1 4.4Å; V28-V120 HydrophobicContact CG2-CG1 3.65Å; I114-V120 HydrophobicContact CD1-CG2 3.94Å; I114-V120 HydrophobicContact CG1-CG2 4.14Å; V120-E122 HydrophobicContact CG1-CB 4.28Å; V120-K222 HydrophobicContact CG2-CB 4.36Å; V120-K222 HydrophobicContact CG2-CD 4.46Å; V120-P223 PolarHBondContact N-O 3.44Å; V120-I224 HydrophobicContact CB-CG1 4.22Å; V120-I224 CarbonylContact O-C 3.58Å; V120-I224 WeakPolarHBondContact O-CA 3.33Å; V120-V225 PolarHBondContact O-N 2.79Å
121F97.2Very high89.7Confident2 Ų242.3 Ų42.31%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-90.1102.5157.7-76.7-48.5000108.4V25 G26 I27 V28 L88 M123 V225 L227 I294V25-F121 HydrophobicContact CB-CD2 4.06Å; V25-F121 HydrophobicContact CB-CE2 4.02Å; V25-F121 HydrophobicContact CG1-CB 4.28Å; V25-F121 HydrophobicContact CG1-CD1 4.25Å; V25-F121 HydrophobicContact CG1-CD2 3.32Å; V25-F121 HydrophobicContact CG1-CE1 4.47Å; V25-F121 HydrophobicContact CG1-CE2 3.62Å; V25-F121 HydrophobicContact CG1-CG 3.67Å; V25-F121 HydrophobicContact CG1-CZ 4.2Å; V25-F121 HydrophobicContact CG2-CE2 4.42Å; G26-F121 PolarHBondContact O-N 3.08Å; I27-F121 HydrophobicContact CG1-CD2 4.48Å; V28-F121 PolarHBondContact N-O 3.38Å; L88-F121 HydrophobicContact CD2-CE2 4.2Å; L88-F121 HydrophobicContact CD2-CZ 4.29Å; F121-M123 PolarHBondContact O-N 2.94Å; F121-V225 CarbonylContact C-O 3.59Å; F121-V225 WeakPolarHBondContact CA-O 3.27Å; F121-V225 HydrophobicContact CD1-CB 3.74Å; F121-V225 HydrophobicContact CD1-CG1 3.96Å; F121-V225 HydrophobicContact CE1-CB 3.91Å; F121-V225 HydrophobicContact CE1-CG1 3.92Å; F121-V225 HydrophobicContact CE1-CG2 4.39Å; F121-L227 HydrophobicContact CB-CD1 3.82Å; F121-L227 HydrophobicContact CB-CG 4.31Å; F121-L227 HydrophobicContact CD1-CD1 3.93Å; F121-L227 HydrophobicContact CD1-CD2 4.13Å; F121-L227 HydrophobicContact CD1-CG 4.1Å; F121-L227 HydrophobicContact CG-CD1 3.92Å; F121-L227 HydrophobicContact CG-CG 4.48Å; F121-I294 HydrophobicContact CD1-CG2 4.43Å; F121-I294 HydrophobicContact CE1-CG2 3.84Å; F121-I294 HydrophobicContact CE2-CG2 4.35Å; F121-I294 HydrophobicContact CZ-CG2 3.78Å; F121-I294 WeakPolarHBondContact CZ-O 3.35Å
122E96.3Very high90Very high2 Ų244 Ų441%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-90.7106.8178.5-170.2177.8152.900109.7V120 I145 I148 I224 V225 Y226 L227V120-E122 HydrophobicContact CG1-CB 4.28Å; E122-I145 WeakPolarHBondContact OE1-CA 3.47Å; E122-I148 HydrophobicContact CG-CD1 4.05Å; E122-I224 HydrophobicContact CB-CG2 3.62Å; E122-V225 PolarHBondContact N-O 2.98Å; E122-Y226 HydrophobicContact CB-CD1 4Å; E122-Y226 HydrophobicContact CB-CE1 4.17Å; E122-Y226 HydrophobicContact CG-CD1 4.3Å; E122-Y226 HydrophobicContact CG-CE1 4.27Å; E122-Y226 CarbonylContact O-C 3.54Å; E122-Y226 WeakPolarHBondContact O-CA 3.09Å; E122-Y226 VanDerWaalsContact OE2-CE1 3.32Å; E122-Y226 WeakPolarHBondContact OE2-CE1 3.39Å; E122-L227 PolarHBondContact O-N 3.22Å
123M95.8Very high90.2Very high2 Ų246 Ų461%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-89.6126.9-179.9-170.8174.7-60.600111.2I27 V28 V33 K35 F38 F121 L227 N229 F262I27-M123 HydrophobicContact CG2-CE 4.25Å; V28-M123 PolarHBondContact O-N 3.28Å; V33-M123 HydrophobicContact CB-CG 4.38Å; V33-M123 HydrophobicContact CG2-CB 4.08Å; V33-M123 HydrophobicContact CG2-CG 3.88Å; V33-M123 HydrophobicContact CG2-SD 4Å; K35-M123 HydrophobicContact CG-CB 4.49Å; K35-M123 HydrophobicContact CG-SD 4.22Å; K35-M123 PolarHBondContact N-SD 3.13Å; F38-M123 HydrophobicContact CB-CE 3.54Å; F38-M123 HydrophobicContact CD1-CE 3.56Å; F38-M123 HydrophobicContact CE1-CE 4.43Å; F38-M123 HydrophobicContact CG-CE 3.62Å; F121-M123 PolarHBondContact O-N 2.94Å; M123-L227 WeakPolarHBondContact CA-O 3.39Å; M123-L227 HydrophobicContact CE-CD1 4.39Å; M123-N229 HydrophobicContact CG-CB 4.37Å; M123-F262 HydrophobicContact CE-CE1 4.36Å; M123-F262 HydrophobicContact CE-CZ 3.69Å; M123-F262 HydrophobicContact CG-CZ 4.5Å; M123-F262 HydrophobicContact SD-CZ 4.09Å
124C94.3Very high90.1Very high3 Ų343.3 Ų43.32%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-117.3142.8173.861.40000110.9P141 I145 L227 N229C124-P141 HydrophobicContact CB-CB 3.84Å; C124-I145 HydrophobicContact CB-CD1 4.31Å; C124-I145 HydrophobicContact CB-CG1 4.22Å; C124-L227 PolarHBondContact N-O 3.2Å; C124-N229 PolarHBondContact O-N 3.19Å
125R94.9Very high89.6Confident3 Ų346.9 Ų46.91%0.01125%0.252CS..EExtended strand (participates in β ladder)trans-82.3116.1175.7176.6163.7175.2-163.73.9109.4V33 F127 D129 V132 T133 V139 P141V33-R125 HydrophobicContact CB-CB 4.04Å; V33-R125 HydrophobicContact CG1-CB 3.83Å; R125-F127 HydrophobicContact CB-CE1 4.41Å; R125-F127 HydrophobicContact CG-CD1 3.84Å; R125-F127 HydrophobicContact CG-CE1 3.67Å; R125-F127 HydrophobicContact CG-CG 4.33Å; R125-F127 HydrophobicContact CG-CZ 4.04Å; R125-F127 PolarHBondContact NE-O 2.87Å; R125-F127 VanDerWaalsContact NE-O 3.14Å; R125-D129 PolarHBondContact NH2-O 3.28Å; R125-V132 PolarHBondContact NH1-O 3.18Å; R125-V132 PolarHBondContact NH2-O 3.3Å; R125-T133 PolarHBondContact NH1-O 2.9Å; R125-V139 HydrophobicContact CG-CG1 4.11Å; R125-V139 WeakPolarHBondContact O-CG1 3.18Å; R125-P141 WeakPolarHBondContact O-CB 3.35Å
126A96.1Very high89.3Confident1 Ų145.9 Ų45.91%0.00825%0.245CC..  trans-122.523.3176.800000111.9P141 N229 I230 N240 W242 I246A126-P141 HydrophobicContact CB-CG 4.44Å; A126-N229 CarbonylContact C-O 3.57Å; A126-N229 WeakPolarHBondContact CA-O 3.39Å; A126-N229 WeakPolarHBondContact CB-O 3.36Å; A126-N229 PolarHBondContact N-O 2.88Å; A126-I230 HydrophobicContact CB-CG2 3.55Å; A126-N240 PolarHBondContact O-ND2 3.42Å; A126-W242 HydrophobicContact CB-CB 4Å; A126-W242 HydrophobicContact CB-CG 4.36Å; A126-I246 HydrophobicContact CB-CD1 4.22Å
127F93.1Very high89.1Confident34 Ų3446.8 Ų46.815%0.14926%0.259CS..  trans-121.5147.8173.468.4-89.3000111R125 D129 N229R125-F127 HydrophobicContact CB-CE1 4.41Å; R125-F127 HydrophobicContact CG-CD1 3.84Å; R125-F127 HydrophobicContact CG-CE1 3.67Å; R125-F127 HydrophobicContact CG-CG 4.33Å; R125-F127 HydrophobicContact CG-CZ 4.04Å; R125-F127 PolarHBondContact NE-O 2.87Å; R125-F127 VanDerWaalsContact NE-O 3.14Å; F127-D129 HydrophobicContact CD2-CB 3.93Å; F127-D129 HydrophobicContact CE2-CB 3.87Å; F127-N229 WeakPolarHBondContact CD1-O 3.45Å
128E88.1Confident88.9Confident129 Ų12951.2 Ų51.260%0.60328%0.283SS*.  trans-97.7138169.3-71.8173.4167.900108.5K241E128-K241 IonicContact OE1-NZ 2.87Å; E128-K241 PolarHBondContact OE1-NZ 2.72Å; E128-K241 IonicContact OE2-NZ 2.85Å; E128-K241 PolarHBondContact OE2-NZ 2.67Å
129D85.6Confident88.7Confident73 Ų7351.3 Ų51.339%0.3928%0.284SS..  trans-152.3118.7177.9-174.3-22.9000106.5R125 F127 D131 V132R125-D129 PolarHBondContact NH2-O 3.28Å; F127-D129 HydrophobicContact CD2-CB 3.93Å; F127-D129 HydrophobicContact CE2-CB 3.87Å; D129-D131 PolarHBondContact O-N 2.85Å; D129-D131 PolarHBondContact OD1-N 2.8Å; D129-V132 HydrophobicContact CB-CB 4.14Å; D129-V132 HydrophobicContact CB-CG2 4.07Å; D129-V132 PolarHBondContact O-N 2.92Å; D129-V132 WeakPolarHBondContact OD2-CG2 3.36Å
130E80.6Confident88.7Confident201 Ų20153.5 Ų53.594%0.93930%0.296SS*.THydrogen-bonded Turntrans-65.6-26.2-175.3-64.4-174175.700111.9V132E130-V132 VanDerWaalsContact C-N 3.34Å
131D82.1Confident88.6Confident154 Ų15453.4 Ų53.482%0.82430%0.295SS*.THydrogen-bonded Turntrans-85.3-8.7-179.3-66.4-39.5000112.7D129D129-D131 PolarHBondContact O-N 2.85Å; D129-D131 PolarHBondContact OD1-N 2.8Å
132V79.5Confident88.6Confident46 Ų4655 Ų5528%0.27931%0.305SS..SBendtrans-118105.2-174.5-173.50000111.2N32 R125 D129 E130N32-V132 HydrophobicContact CB-CG1 3.76Å; R125-V132 PolarHBondContact NH1-O 3.18Å; R125-V132 PolarHBondContact NH2-O 3.3Å; D129-V132 HydrophobicContact CB-CB 4.14Å; D129-V132 HydrophobicContact CB-CG2 4.07Å; D129-V132 PolarHBondContact O-N 2.92Å; D129-V132 WeakPolarHBondContact OD2-CG2 3.36Å; E130-V132 VanDerWaalsContact C-N 3.34Å
133T81.8Confident88.6Confident110 Ų11057.8 Ų57.868%0.67532%0.315SS*.  trans-65.9141.5177.557.10000112.5N32 R125N32-T133 PolarHBondContact ND2-O 2.91Å; R125-T133 PolarHBondContact NH1-O 2.9Å
134H80.6Confident88.4Confident16 Ų1657.9 Ų57.97%0.07432%0.316CS..BIsolated β-bridgetrans-96.2133.2172.5-158.6-83.9000110E136 G137 D138 V139 R143 D144H134-E136 PolarHBondContact ND1-N 2.97Å; H134-E136 PolarHBondContact O-N 3.17Å; H134-G137 PolarHBondContact O-N 3.04Å; H134-D138 PolarHBondContact ND1-O 2.92Å; H134-D138 VanDerWaalsContact ND1-O 3.11Å; H134-V139 HydrophobicContact CB-CG2 4.45Å; H134-R143 PolarHBondContact CE1-NH2 3.41Å; H134-R143 VanDerWaalsContact CE1-NH2 3.27Å; H134-R143 PolarHBondContact ND1-NH2 2.94Å; H134-D144 IonicContact CE1-OD1 3.45Å; H134-D144 PolarHBondContact CE1-OD1 3.04Å; H134-D144 IonicContact CE1-OD2 2.65Å; H134-D144 PolarHBondContact CE1-OD2 3.21Å; H134-D144 IonicContact NE2-OD2 3.36Å; H134-D144 PolarHBondContact NE2-OD2 2.92Å; H134-D144 VanDerWaalsContact NE2-OD2 3.1Å
135V78.3Confident88.5Confident74 Ų7457.8 Ų57.845%0.44832%0.315SS..THydrogen-bonded Turntrans-61.8-34.4-174.6178.60000112.4P31 G137P31-V135 HydrophobicContact CB-CG2 3.71Å; P31-V135 HydrophobicContact CG-CG2 3.8Å; V135-G137 VanDerWaalsContact C-N 3.32Å
136E82.1Confident88.4Confident51 Ų5158.6 Ų58.624%0.23832%0.324CS..THydrogen-bonded Turntrans-92.315.3177.5-62.1-72.7124.600113.2L30 K98 H134 D138 R143 I147L30-E136 HydrophobicContact CD1-CG 4.42Å; K98-E136 IonicContact NZ-OE2 3.61Å; H134-E136 PolarHBondContact ND1-N 2.97Å; H134-E136 PolarHBondContact O-N 3.17Å; E136-D138 PolarHBondContact O-N 3.02Å; E136-R143 VanDerWaalsContact CB-NH2 3.34Å; E136-R143 PolarHBondContact O-NH1 2.74Å; E136-I147 HydrophobicContact CG-CD1 3.91Å
137G83.4Confident88.2Confident64 Ų6459.5 Ų59.566%0.6633%0.329SS*.BIsolated β-bridgetrans92.5-71.4178.900000113.5H134 V135H134-G137 PolarHBondContact O-N 3.04Å; V135-G137 VanDerWaalsContact C-N 3.32Å
138D89.6Confident88.1Confident93 Ų9358 Ų5850%0.49732%0.322SS..SBendtrans-103.3155.9177.970.7-42.9000112.3H134 E136 N140 R143H134-D138 PolarHBondContact ND1-O 2.92Å; H134-D138 VanDerWaalsContact ND1-O 3.11Å; E136-D138 PolarHBondContact O-N 3.02Å; D138-N140 PolarHBondContact O-N 2.93Å; D138-R143 PolarHBondContact O-NH2 2.93Å; D138-R143 IonicContact OD1-CZ 3.16Å; D138-R143 IonicContact OD1-NH1 3.49Å; D138-R143 PolarHBondContact OD1-NH1 3.41Å
139V92.3Very high88.4Confident17 Ų1752.9 Ų52.910%0.10330%0.298CS..  trans-74.4114.8174.6177.40000108.9R125 H134 W242R125-V139 HydrophobicContact CG-CG1 4.11Å; R125-V139 WeakPolarHBondContact O-CG1 3.18Å; H134-V139 HydrophobicContact CB-CG2 4.45Å; V139-W242 VanDerWaalsContact O-CH2 3.32Å; V139-W242 WeakPolarHBondContact O-CH2 3.47Å; V139-W242 WeakPolarHBondContact O-CZ2 3.27Å
140N94.5Very high88.7Confident46 Ų4652.5 Ų52.525%0.24629%0.294CS..  trans-146.687.9174.5-174.3-16.2000110.5D138 V142 R143 D144 W242D138-N140 PolarHBondContact O-N 2.93Å; N140-V142 PolarHBondContact O-N 3.26Å; N140-V142 VanDerWaalsContact O-N 3.13Å; N140-V142 PolarHBondContact OD1-N 2.93Å; N140-R143 HydrophobicContact CB-CB 4.08Å; N140-R143 WeakPolarHBondContact O-CB 3.38Å; N140-R143 PolarHBondContact O-N 3.03Å; N140-R143 VanDerWaalsContact O-N 3.12Å; N140-R143 PolarHBondContact OD1-N 3.05Å; N140-D144 PolarHBondContact O-N 3.21Å; N140-D144 VanDerWaalsContact O-N 3.08Å; N140-W242 HydrophobicContact CB-CH2 4.31Å
141P95.4Very high89.2Confident0 Ų043.7 Ų43.70%025%0.253CS..Hα-helixtrans-61.1-26.7-175.420.7-32.4000113.7C124 R125 A126 D144 I145 W242 I246C124-P141 HydrophobicContact CB-CB 3.84Å; R125-P141 WeakPolarHBondContact O-CB 3.35Å; A126-P141 HydrophobicContact CB-CG 4.44Å; P141-D144 PolarHBondContact O-N 3.1Å; P141-I145 WeakPolarHBondContact O-CD1 3.19Å; P141-I145 WeakPolarHBondContact O-CG1 3.29Å; P141-I145 PolarHBondContact O-N 3.4Å; P141-W242 HydrophobicContact CG-CB 3.76Å; P141-W242 HydrophobicContact CG-CD2 3.69Å; P141-W242 HydrophobicContact CG-CE3 3.74Å; P141-W242 HydrophobicContact CG-CG 3.71Å; P141-I246 HydrophobicContact CB-CD1 3.86Å; P141-I246 HydrophobicContact CB-CG1 4.03Å; P141-I246 HydrophobicContact CG-CD1 3.8Å; P141-I246 HydrophobicContact CG-CG1 3.98Å
142V96.7Very high89.7Confident36 Ų3636.5 Ų36.522%0.21821%0.214CC..Hα-helixtrans-69.6-43.7177.81780000110.8N140 D144 G146 K245 I246 Y249N140-V142 PolarHBondContact O-N 3.26Å; N140-V142 VanDerWaalsContact O-N 3.13Å; N140-V142 PolarHBondContact OD1-N 2.93Å; V142-D144 VanDerWaalsContact C-N 3.3Å; V142-D144 PolarHBondContact O-N 2.96Å; V142-G146 PolarHBondContact O-N 3.3Å; V142-G146 VanDerWaalsContact O-N 3.11Å; V142-K245 HydrophobicContact CG2-CB 3.87Å; V142-I246 HydrophobicContact CG2-CG1 4.49Å; V142-Y249 HydrophobicContact CG1-CD2 3.51Å; V142-Y249 HydrophobicContact CG1-CE2 4.23Å; V142-Y249 HydrophobicContact CG1-CG 3.97Å
143R94.9Very high90.4Very high60 Ų6034.9 Ų34.923%0.22620%0.203CC..Hα-helixtrans-59.7-45.5172.2177.2-161.459.4-141.7-16.3110.2H134 E136 D138 N140 I145 G146 I147H134-R143 PolarHBondContact CE1-NH2 3.41Å; H134-R143 VanDerWaalsContact CE1-NH2 3.27Å; H134-R143 PolarHBondContact ND1-NH2 2.94Å; E136-R143 VanDerWaalsContact CB-NH2 3.34Å; E136-R143 PolarHBondContact O-NH1 2.74Å; D138-R143 PolarHBondContact O-NH2 2.93Å; D138-R143 IonicContact OD1-CZ 3.16Å; D138-R143 IonicContact OD1-NH1 3.49Å; D138-R143 PolarHBondContact OD1-NH1 3.41Å; N140-R143 HydrophobicContact CB-CB 4.08Å; N140-R143 WeakPolarHBondContact O-CB 3.38Å; N140-R143 PolarHBondContact O-N 3.03Å; N140-R143 VanDerWaalsContact O-N 3.12Å; N140-R143 PolarHBondContact OD1-N 3.05Å; R143-I145 PolarHBondContact O-N 2.78Å; R143-G146 CarbonylContact O-C 3.58Å; R143-G146 WeakPolarHBondContact O-CA 3.47Å; R143-G146 PolarHBondContact O-N 3.28Å; R143-G146 VanDerWaalsContact O-N 3.09Å; R143-I147 HydrophobicContact CG-CD1 4.01Å; R143-I147 HydrophobicContact CG-CG1 4.43Å; R143-I147 WeakPolarHBondContact O-CG1 3.36Å; R143-I147 PolarHBondContact O-N 3.38Å
144D93.6Very high90.9Very high4 Ų432.1 Ų32.12%0.02118%0.184CC..Hα-helixtrans-65.3-41.7-173.9-56.4-17.4000112L30 H134 N140 P141 V142 G146 I147 I148L30-D144 HydrophobicContact CD1-CB 3.57Å; L30-D144 VanDerWaalsContact CD1-CG 3.49Å; L30-D144 HydrophobicContact CG-CB 4.2Å; H134-D144 IonicContact CE1-OD1 3.45Å; H134-D144 PolarHBondContact CE1-OD1 3.04Å; H134-D144 IonicContact CE1-OD2 2.65Å; H134-D144 PolarHBondContact CE1-OD2 3.21Å; H134-D144 IonicContact NE2-OD2 3.36Å; H134-D144 PolarHBondContact NE2-OD2 2.92Å; H134-D144 VanDerWaalsContact NE2-OD2 3.1Å; N140-D144 PolarHBondContact O-N 3.21Å; N140-D144 VanDerWaalsContact O-N 3.08Å; P141-D144 PolarHBondContact O-N 3.1Å; V142-D144 VanDerWaalsContact C-N 3.3Å; V142-D144 PolarHBondContact O-N 2.96Å; D144-G146 VanDerWaalsContact C-N 3.31Å; D144-G146 PolarHBondContact O-N 2.94Å; D144-I147 PolarHBondContact O-N 3.43Å; D144-I148 WeakPolarHBondContact O-CG1 3.38Å; D144-I148 PolarHBondContact O-N 2.97Å; D144-I148 VanDerWaalsContact O-N 3.11Å
145I94.9Very high91.4Very high1 Ų133.6 Ų33.61%0.00519%0.19CC..Hα-helixtrans-60.2-43.1171.4-67.1163.9000110.3E122 C124 P141 R143 I147 I148 Y149 Y226 I246 Y249E122-I145 WeakPolarHBondContact OE1-CA 3.47Å; C124-I145 HydrophobicContact CB-CD1 4.31Å; C124-I145 HydrophobicContact CB-CG1 4.22Å; P141-I145 WeakPolarHBondContact O-CD1 3.19Å; P141-I145 WeakPolarHBondContact O-CG1 3.29Å; P141-I145 PolarHBondContact O-N 3.4Å; R143-I145 PolarHBondContact O-N 2.78Å; I145-I147 VanDerWaalsContact C-N 3.34Å; I145-I147 PolarHBondContact O-N 3.44Å; I145-I148 PolarHBondContact O-N 3.37Å; I145-Y149 VanDerWaalsContact O-CB 3.29Å; I145-Y149 WeakPolarHBondContact O-CB 3.2Å; I145-Y149 PolarHBondContact O-N 3Å; I145-Y226 HydrophobicContact CD1-CD1 4.27Å; I145-Y226 HydrophobicContact CD1-CE1 4.45Å; I145-Y226 HydrophobicContact CG1-CD1 4.46Å; I145-Y226 HydrophobicContact CG1-CE1 4.39Å; I145-Y226 HydrophobicContact CG2-CE1 3.81Å; I145-I246 HydrophobicContact CD1-CG2 3.91Å; I145-Y249 HydrophobicContact CB-CD1 4.5Å; I145-Y249 HydrophobicContact CB-CE1 4.23Å; I145-Y249 HydrophobicContact CG2-CD1 3.81Å; I145-Y249 HydrophobicContact CG2-CE1 3.36Å
146G93.7Very high92.2Very high20 Ų2030.3 Ų30.321%0.20617%0.17CC..Hα-helixtrans-61.1-38.9176.300000113.8V142 R143 D144 E150 Y249V142-G146 PolarHBondContact O-N 3.3Å; V142-G146 VanDerWaalsContact O-N 3.11Å; R143-G146 CarbonylContact O-C 3.58Å; R143-G146 WeakPolarHBondContact O-CA 3.47Å; R143-G146 PolarHBondContact O-N 3.28Å; R143-G146 VanDerWaalsContact O-N 3.09Å; D144-G146 VanDerWaalsContact C-N 3.31Å; D144-G146 PolarHBondContact O-N 2.94Å; G146-E150 WeakPolarHBondContact O-CB 3.48Å; G146-E150 PolarHBondContact O-N 3.39Å; G146-Y249 WeakPolarHBondContact CA-OH 3.46Å
147I91.4Very high92.8Very high20 Ų2029.2 Ų29.210%0.10317%0.166CC..Hα-helixtrans-61.9-51.4174.9-68.7166.9000109.9K98 E136 R143 D144 I145 Y149 E150 E151K98-I147 HydrophobicContact CB-CG2 4.43Å; K98-I147 HydrophobicContact CG-CG2 4.44Å; E136-I147 HydrophobicContact CG-CD1 3.91Å; R143-I147 HydrophobicContact CG-CD1 4.01Å; R143-I147 HydrophobicContact CG-CG1 4.43Å; R143-I147 WeakPolarHBondContact O-CG1 3.36Å; R143-I147 PolarHBondContact O-N 3.38Å; D144-I147 PolarHBondContact O-N 3.43Å; I145-I147 VanDerWaalsContact C-N 3.34Å; I145-I147 PolarHBondContact O-N 3.44Å; I147-Y149 VanDerWaalsContact C-N 3.34Å; I147-Y149 PolarHBondContact O-N 3.42Å; I147-E150 PolarHBondContact O-N 3.49Å; I147-E151 HydrophobicContact CG2-CG 4.26Å; I147-E151 WeakPolarHBondContact O-CB 3.34Å; I147-E151 WeakPolarHBondContact O-CG 3.48Å; I147-E151 PolarHBondContact O-N 3.48Å
148I91.5Very high93.3Very high3 Ų330 Ų302%0.01515%0.152CC..Hα-helixtrans-61.4-45.1-179.5-64.5165000110.5V28 L30 L96 E122 D144 I145 E150 E151 L152V28-I148 HydrophobicContact CG1-CD1 4.37Å; V28-I148 HydrophobicContact CG1-CG2 3.96Å; L30-I148 HydrophobicContact CD2-CG1 4.37Å; L96-I148 HydrophobicContact CD2-CB 4.25Å; L96-I148 HydrophobicContact CD2-CG1 3.74Å; L96-I148 HydrophobicContact CD2-CG2 4.39Å; E122-I148 HydrophobicContact CG-CD1 4.05Å; D144-I148 WeakPolarHBondContact O-CG1 3.38Å; D144-I148 PolarHBondContact O-N 2.97Å; D144-I148 VanDerWaalsContact O-N 3.11Å; I145-I148 PolarHBondContact O-N 3.37Å; I148-E150 VanDerWaalsContact C-N 3.31Å; I148-E150 PolarHBondContact O-N 3.25Å; I148-E151 PolarHBondContact O-N 3.32Å; I148-L152 HydrophobicContact CG2-CD1 4.07Å; I148-L152 HydrophobicContact CG2-CG 4.36Å; I148-L152 VanDerWaalsContact O-CG 3.32Å; I148-L152 WeakPolarHBondContact O-CG 3.21Å; I148-L152 PolarHBondContact O-N 2.92Å
149Y93.2Very high93.5Very high22 Ų2229.3 Ų29.39%0.08615%0.145CC..Hα-helixtrans-54.2-47.9177.4179.9-83.6000111.9I145 I147 R153 K197 R198 H199 F202I145-Y149 VanDerWaalsContact O-CB 3.29Å; I145-Y149 WeakPolarHBondContact O-CB 3.2Å; I145-Y149 PolarHBondContact O-N 3Å; I147-Y149 VanDerWaalsContact C-N 3.34Å; I147-Y149 PolarHBondContact O-N 3.42Å; Y149-R153 PolarHBondContact O-N 2.76Å; Y149-K197 PolarHBondContact OH-O 3.31Å; Y149-R198 WeakPolarHBondContact OH-CA 3.49Å; Y149-H199 AromaticContact CD1-NE2 3.76Å; Y149-H199 AromaticContact CD2-CD2 3.85Å; Y149-H199 AromaticContact CD2-CE1 3.35Å; Y149-H199 WeakPolarHBondContact CD2-CE1 3.37Å; Y149-H199 AromaticContact CD2-ND1 3.95Å; Y149-H199 AromaticContact CD2-NE2 3.28Å; Y149-H199 VanDerWaalsContact CD2-NE2 3.28Å; Y149-H199 WeakPolarHBondContact CD2-NE2 3.29Å; Y149-H199 AromaticContact CE1-CD2 3.82Å; Y149-H199 AromaticContact CE1-NE2 3.81Å; Y149-H199 HydrophobicContact CE2-CB 4.46Å; Y149-H199 AromaticContact CE2-CD2 3.38Å; Y149-H199 WeakPolarHBondContact CE2-CD2 3.46Å; Y149-H199 AromaticContact CE2-CE1 3.57Å; Y149-H199 AromaticContact CE2-CG 3.63Å; Y149-H199 AromaticContact CE2-ND1 3.76Å; Y149-H199 AromaticContact CE2-NE2 3.35Å; Y149-H199 WeakPolarHBondContact CE2-NE2 3.46Å; Y149-H199 AromaticContact CG-CE1 3.89Å; Y149-H199 AromaticContact CG-NE2 3.48Å; Y149-H199 AromaticContact CZ-CD2 3.35Å; Y149-H199 AromaticContact CZ-CG 3.94Å; Y149-H199 AromaticContact CZ-NE2 3.61Å; Y149-H199 PolarHBondContact O-NE2 2.84Å; Y149-H199 PolarHBondContact OH-N 3.45Å; Y149-F202 HydrophobicContact CE2-CE2 4.27Å
150E92.5Very high93.7Very high65 Ų6528.5 Ų28.530%0.30414%0.141SC..Hα-helixtrans-69.9-42.6-178.4-179.764.3176.700112.1G146 I147 I148 L152 R153 L154G146-E150 WeakPolarHBondContact O-CB 3.48Å; G146-E150 PolarHBondContact O-N 3.39Å; I147-E150 PolarHBondContact O-N 3.49Å; I148-E150 VanDerWaalsContact C-N 3.31Å; I148-E150 PolarHBondContact O-N 3.25Å; E150-L152 PolarHBondContact O-N 3.35Å; E150-R153 VanDerWaalsContact CD-NH2 3.26Å; E150-R153 WeakPolarHBondContact O-CB 3.35Å; E150-R153 PolarHBondContact O-N 2.9Å; E150-R153 IonicContact OE1-CZ 2.74Å; E150-R153 IonicContact OE1-NE 3.28Å; E150-R153 IonicContact OE1-NH2 3.19Å; E150-R153 PolarHBondContact OE1-NH2 2.9Å; E150-R153 IonicContact OE2-CZ 3.83Å; E150-R153 IonicContact OE2-NE 3.28Å; E150-R153 PolarHBondContact OE2-NE 3.5Å; E150-R153 IonicContact OE2-NH2 3.55Å; E150-R153 PolarHBondContact OE2-NH2 3.38Å; E150-R153 VanDerWaalsContact OE2-NH2 3.16Å; E150-L154 HydrophobicContact CG-CD1 3.99Å; E150-L154 HydrophobicContact CG-CG 4.3Å; E150-L154 WeakPolarHBondContact O-CB 3.39Å; E150-L154 WeakPolarHBondContact O-CG 3.09Å; E150-L154 PolarHBondContact O-N 3.02Å
151E90.6Very high93.8Very high16 Ų1629.6 Ų29.68%0.07515%0.146CC..Hα-helixtrans-59.9-43.9178.1-71.8-74.2168.200112.1L96 G99 A100 S101 I147 I148 L154 K155L96-E151 HydrophobicContact CD2-CB 4.13Å; L96-E151 HydrophobicContact CD2-CG 4.22Å; G99-E151 WeakPolarHBondContact CA-OE1 3.4Å; G99-E151 PolarHBondContact N-OE1 3.45Å; A100-E151 PolarHBondContact N-OE2 3.03Å; S101-E151 WeakPolarHBondContact CB-OE2 3.3Å; S101-E151 PolarHBondContact N-OE2 2.93Å; S101-E151 PolarHBondContact OG-OE2 2.91Å; I147-E151 HydrophobicContact CG2-CG 4.26Å; I147-E151 WeakPolarHBondContact O-CB 3.34Å; I147-E151 WeakPolarHBondContact O-CG 3.48Å; I147-E151 PolarHBondContact O-N 3.48Å; I148-E151 PolarHBondContact O-N 3.32Å; E151-L154 PolarHBondContact O-N 3.43Å; E151-K155 PolarHBondContact O-N 3.01Å
152L92.6Very high93.8Very high3 Ų331.7 Ų31.72%0.01616%0.164CC..Hα-helixtrans-63.5-42.4176-65.5178.8000111.5F110 L111 I114 I148 E150 K155 D156 L219 T220F110-L152 HydrophobicContact CE1-CD2 4.26Å; L111-L152 HydrophobicContact CD2-CD2 4.35Å; I114-L152 HydrophobicContact CD1-CD2 3.78Å; I148-L152 HydrophobicContact CG2-CD1 4.07Å; I148-L152 HydrophobicContact CG2-CG 4.36Å; I148-L152 VanDerWaalsContact O-CG 3.32Å; I148-L152 WeakPolarHBondContact O-CG 3.21Å; I148-L152 PolarHBondContact O-N 2.92Å; E150-L152 PolarHBondContact O-N 3.35Å; L152-K155 PolarHBondContact O-N 3.02Å; L152-D156 PolarHBondContact O-N 3.31Å; L152-L219 HydrophobicContact CD2-CB 4.24Å; L152-L219 HydrophobicContact CD2-CD1 4.07Å; L152-T220 HydrophobicContact CB-CG2 3.91Å
153R94.4Very high93.8Very high12 Ų1231.5 Ų31.55%0.04516%0.161CC..Hα-helixtrans-62.4-48.8177.6-175-168.871.187.6-0.4111.5Y149 E150 K155 D156 L157 L193Y149-R153 PolarHBondContact O-N 2.76Å; E150-R153 VanDerWaalsContact CD-NH2 3.26Å; E150-R153 WeakPolarHBondContact O-CB 3.35Å; E150-R153 PolarHBondContact O-N 2.9Å; E150-R153 IonicContact OE1-CZ 2.74Å; E150-R153 IonicContact OE1-NE 3.28Å; E150-R153 IonicContact OE1-NH2 3.19Å; E150-R153 PolarHBondContact OE1-NH2 2.9Å; E150-R153 IonicContact OE2-CZ 3.83Å; E150-R153 IonicContact OE2-NE 3.28Å; E150-R153 PolarHBondContact OE2-NE 3.5Å; E150-R153 IonicContact OE2-NH2 3.55Å; E150-R153 PolarHBondContact OE2-NH2 3.38Å; E150-R153 VanDerWaalsContact OE2-NH2 3.16Å; R153-K155 VanDerWaalsContact C-N 3.26Å; R153-K155 PolarHBondContact O-N 3.29Å; R153-D156 PolarHBondContact O-N 3.49Å; R153-L157 WeakPolarHBondContact O-CB 3.36Å; R153-L157 PolarHBondContact O-N 3.22Å; R153-L193 HydrophobicContact CG-CD2 3.78Å; R153-L193 PolarHBondContact NH1-O 2.98Å
154L92.8Very high93.8Very high51 Ų5129 Ų2927%0.26715%0.153SC..Hα-helixtrans-61.9-37.7179.5-71.3176.4000111.1E150 E151 L157 Q158E150-L154 HydrophobicContact CG-CD1 3.99Å; E150-L154 HydrophobicContact CG-CG 4.3Å; E150-L154 WeakPolarHBondContact O-CB 3.39Å; E150-L154 WeakPolarHBondContact O-CG 3.09Å; E150-L154 PolarHBondContact O-N 3.02Å; E151-L154 PolarHBondContact O-N 3.43Å; L154-L157 WeakPolarHBondContact O-CB 3.39Å; L154-L157 PolarHBondContact O-N 3.38Å; L154-Q158 WeakPolarHBondContact O-CG 3.47Å; L154-Q158 PolarHBondContact O-N 2.74Å
155K91.1Very high93.9Very high47 Ų4734.2 Ų34.220%0.20418%0.177CC..Hα-helixtrans-66.9-45.3176.6-166.261.7163.3-1700112.9L111 E151 L152 R153 L157 Q158 H159 L219L111-K155 HydrophobicContact CD1-CB 4.34Å; L111-K155 HydrophobicContact CD1-CD 3.67Å; L111-K155 HydrophobicContact CD1-CG 3.79Å; L111-K155 HydrophobicContact CD2-CB 4.2Å; L111-K155 HydrophobicContact CD2-CG 4.06Å; L111-K155 HydrophobicContact CG-CG 4.37Å; E151-K155 PolarHBondContact O-N 3.01Å; L152-K155 PolarHBondContact O-N 3.02Å; R153-K155 VanDerWaalsContact C-N 3.26Å; R153-K155 PolarHBondContact O-N 3.29Å; K155-L157 PolarHBondContact O-N 3Å; K155-Q158 WeakPolarHBondContact O-CB 3.28Å; K155-Q158 PolarHBondContact O-N 3.11Å; K155-H159 PolarHBondContact O-N 3.34Å; K155-L219 HydrophobicContact CB-CD1 4.3Å; K155-L219 HydrophobicContact CG-CD1 4.2Å
156D94.7Very high93.9Very high5 Ų541 Ų413%0.02721%0.207CC..Hα-helixtrans-63.9-33.7175-83.3-13.5000111.6L152 R153 H159 V160 L193 F218 L219 T220L152-D156 PolarHBondContact O-N 3.31Å; R153-D156 PolarHBondContact O-N 3.49Å; D156-H159 PolarHBondContact O-N 2.94Å; D156-V160 WeakPolarHBondContact O-CB 3.15Å; D156-V160 WeakPolarHBondContact O-CG1 3.32Å; D156-V160 PolarHBondContact O-N 3.08Å; D156-L193 HydrophobicContact CB-CD1 3.73Å; D156-L193 HydrophobicContact CB-CD2 4.21Å; D156-F218 HydrophobicContact CB-CD1 4.16Å; D156-L219 PolarHBondContact OD1-N 3.11Å; D156-L219 PolarHBondContact OD2-N 2.85Å; D156-T220 HydrophobicContact CB-CG2 4.43Å; D156-T220 VanDerWaalsContact OD2-CB 3.22Å; D156-T220 WeakPolarHBondContact OD2-CB 3.39Å; D156-T220 VanDerWaalsContact OD2-CG2 3.26Å; D156-T220 WeakPolarHBondContact OD2-CG2 3.45Å; D156-T220 PolarHBondContact OD2-N 2.82Å; D156-T220 PolarHBondContact OD2-OG1 3.49Å
157L95.4Very high94Very high29 Ų2941 Ų4115%0.15220%0.204CC..Hα-helixtrans-64.2-44.2174.7-179.557.2000111.6R153 L154 K155 H159 V160 N161 R190 L193 A194R153-L157 WeakPolarHBondContact O-CB 3.36Å; R153-L157 PolarHBondContact O-N 3.22Å; L154-L157 WeakPolarHBondContact O-CB 3.39Å; L154-L157 PolarHBondContact O-N 3.38Å; K155-L157 PolarHBondContact O-N 3Å; L157-H159 VanDerWaalsContact C-N 3.31Å; L157-H159 PolarHBondContact O-N 3.32Å; L157-V160 HydrophobicContact CD1-CG1 4.18Å; L157-V160 WeakPolarHBondContact O-CG1 3.39Å; L157-N161 WeakPolarHBondContact O-CB 3.21Å; L157-N161 PolarHBondContact O-N 3.38Å; L157-N161 VanDerWaalsContact O-N 3.08Å; L157-N161 PolarHBondContact O-ND2 3.34Å; L157-N161 VanDerWaalsContact O-ND2 3.12Å; L157-R190 HydrophobicContact CD1-CG 4.14Å; L157-L193 HydrophobicContact CB-CB 4.36Å; L157-L193 HydrophobicContact CD1-CB 4.26Å; L157-A194 HydrophobicContact CD1-CB 3.82Å; L157-A194 HydrophobicContact CD2-CB 4.21Å
158Q93.1Very high94.1Very high81 Ų8141.2 Ų41.238%0.37921%0.209SC..Hα-helixtrans-58.6-44.7171.8-70.3174.92.800111S101 L154 K155 A162S101-Q158 PolarHBondContact O-NE2 3.08Å; S101-Q158 PolarHBondContact O-OE1 3.41Å; L154-Q158 WeakPolarHBondContact O-CG 3.47Å; L154-Q158 PolarHBondContact O-N 2.74Å; K155-Q158 WeakPolarHBondContact O-CB 3.28Å; K155-Q158 PolarHBondContact O-N 3.11Å; Q158-A162 PolarHBondContact O-N 2.92Å
159H93.4Very high94.2Very high77 Ų7745.8 Ų45.836%0.35623%0.229SC..Hα-helixtrans-64.5-49.9-178.9-174.554.4000112.4K155 D156 L157 N161 A162 L163 F218K155-H159 PolarHBondContact O-N 3.34Å; D156-H159 PolarHBondContact O-N 2.94Å; L157-H159 VanDerWaalsContact C-N 3.31Å; L157-H159 PolarHBondContact O-N 3.32Å; H159-N161 VanDerWaalsContact C-N 3.31Å; H159-N161 PolarHBondContact O-N 3.31Å; H159-A162 PolarHBondContact O-N 2.77Å; H159-L163 WeakPolarHBondContact O-CG 2.73Å; H159-L163 PolarHBondContact O-N 2.78Å; H159-L163 VanDerWaalsContact O-N 3.11Å; H159-F218 AromaticContact CD2-CE1 3.73Å
160V96.6Very high94.2Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-64.9-35.3-178.974.80000111.5D156 L157 A162 L163 V164 L186 V189 R190 L193 F218D156-V160 WeakPolarHBondContact O-CB 3.15Å; D156-V160 WeakPolarHBondContact O-CG1 3.32Å; D156-V160 PolarHBondContact O-N 3.08Å; L157-V160 HydrophobicContact CD1-CG1 4.18Å; L157-V160 WeakPolarHBondContact O-CG1 3.39Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 2.93Å; V160-L163 PolarHBondContact O-N 3.15Å; V160-L163 VanDerWaalsContact O-N 3.16Å; V160-V164 HydrophobicContact CG2-CG2 4.17Å; V160-V164 WeakPolarHBondContact O-CB 3.29Å; V160-V164 VanDerWaalsContact O-CG2 3.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.07Å; V160-V164 PolarHBondContact O-N 2.91Å; V160-L186 HydrophobicContact CG2-CB 4.36Å; V160-L186 HydrophobicContact CG2-CD2 4.11Å; V160-L186 WeakPolarHBondContact CG2-O 3.34Å; V160-V189 HydrophobicContact CB-CG1 4.26Å; V160-V189 HydrophobicContact CG2-CB 4.05Å; V160-V189 HydrophobicContact CG2-CG1 3.81Å; V160-R190 HydrophobicContact CG1-CB 3.9Å; V160-R190 HydrophobicContact CG1-CG 4.14Å; V160-R190 HydrophobicContact CG2-CB 4.22Å; V160-L193 HydrophobicContact CG1-CD1 4.08Å; V160-F218 HydrophobicContact CB-CE1 4.02Å; V160-F218 HydrophobicContact CB-CZ 4.31Å; V160-F218 HydrophobicContact CG2-CE1 4.41Å; V160-F218 HydrophobicContact CG2-CZ 4.21Å
161N96.9Very high94.2Very high69 Ų6946.1 Ų46.137%0.36924%0.238SC..Hα-helixtrans-59.9-44.2175.8-77-24.8000111.8L157 H159 L163 V164 E165 R190L157-N161 WeakPolarHBondContact O-CB 3.21Å; L157-N161 PolarHBondContact O-N 3.38Å; L157-N161 VanDerWaalsContact O-N 3.08Å; L157-N161 PolarHBondContact O-ND2 3.34Å; L157-N161 VanDerWaalsContact O-ND2 3.12Å; H159-N161 VanDerWaalsContact C-N 3.31Å; H159-N161 PolarHBondContact O-N 3.31Å; N161-L163 VanDerWaalsContact C-N 3.33Å; N161-L163 PolarHBondContact O-N 3.31Å; N161-V164 PolarHBondContact O-N 3.18Å; N161-E165 PolarHBondContact O-N 2.55Å; N161-R190 WeakPolarHBondContact OD1-CD 3.5Å; N161-R190 WeakPolarHBondContact OD1-CG 3.43Å
162A95.8Very high94.2Very high44 Ų4453 Ų5336%0.36427%0.27SS..Hα-helixtrans-65.7-34.8175.900000112.7Q158 H159 V160 K166Q158-A162 PolarHBondContact O-N 2.92Å; H159-A162 PolarHBondContact O-N 2.77Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 2.93Å; A162-K166 WeakPolarHBondContact O-CG 3.5Å; A162-K166 PolarHBondContact O-N 3.1Å
163L96Very high94.1Very high32 Ų3263.2 Ų63.217%0.16831%0.308CS..Hα-helixtrans-69.3-44.6175.2-67.2175.3000111.9H159 V160 N161 E165 K166 A167 L186 H216 F218H159-L163 WeakPolarHBondContact O-CG 2.73Å; H159-L163 PolarHBondContact O-N 2.78Å; H159-L163 VanDerWaalsContact O-N 3.11Å; V160-L163 PolarHBondContact O-N 3.15Å; V160-L163 VanDerWaalsContact O-N 3.16Å; N161-L163 VanDerWaalsContact C-N 3.33Å; N161-L163 PolarHBondContact O-N 3.31Å; L163-E165 VanDerWaalsContact C-N 3.35Å; L163-E165 PolarHBondContact O-N 3.24Å; L163-K166 PolarHBondContact O-N 2.99Å; L163-A167 VanDerWaalsContact O-CB 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.27Å; L163-A167 PolarHBondContact O-N 2.89Å; L163-L186 HydrophobicContact CB-CD1 3.95Å; L163-L186 HydrophobicContact CB-CD2 4.16Å; L163-L186 HydrophobicContact CD1-CD2 3.91Å; L163-H216 HydrophobicContact CD1-CB 4.23Å; L163-H216 WeakPolarHBondContact CD1-ND1 3.35Å; L163-F218 HydrophobicContact CD1-CE1 4.44Å; L163-F218 HydrophobicContact CD1-CZ 4.18Å
164V96.6Very high93.7Very high9 Ų964.2 Ų64.26%0.05532%0.317CS..Hα-helixtrans-59.5-44.7177.8167.60000110.6V160 N161 K166 A167 A168 F183 L186 L187V160-V164 HydrophobicContact CG2-CG2 4.17Å; V160-V164 WeakPolarHBondContact O-CB 3.29Å; V160-V164 VanDerWaalsContact O-CG2 3.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.07Å; V160-V164 PolarHBondContact O-N 2.91Å; N161-V164 PolarHBondContact O-N 3.18Å; V164-K166 PolarHBondContact O-N 3.23Å; V164-A167 PolarHBondContact O-N 2.7Å; V164-A168 WeakPolarHBondContact O-CB 3.34Å; V164-A168 PolarHBondContact O-N 2.85Å; V164-F183 HydrophobicContact CG1-CE2 3.87Å; V164-L186 HydrophobicContact CG2-CB 3.76Å; V164-L187 HydrophobicContact CG1-CD2 3.73Å; V164-L187 HydrophobicContact CG2-CD2 4.32Å
165E95.7Very high93.4Very high112 Ų11270.1 Ų70.152%0.52335%0.349SS..Hα-helixtrans-61.4-43178.3-164.8-159145.700112.2N161 L163 K169N161-E165 PolarHBondContact O-N 2.55Å; L163-E165 VanDerWaalsContact C-N 3.35Å; L163-E165 PolarHBondContact O-N 3.24Å; E165-K169 IonicContact OE1-NZ 2.73Å; E165-K169 PolarHBondContact OE1-NZ 3.3Å
166K95Very high93.4Very high145 Ų14570.9 Ų70.963%0.6336%0.355SS*.Hα-helixtrans-66.9-45177.1-70.9176.2-176.3178.30111.6A162 L163 V164 K169 V170A162-K166 WeakPolarHBondContact O-CG 3.5Å; A162-K166 PolarHBondContact O-N 3.1Å; L163-K166 PolarHBondContact O-N 2.99Å; V164-K166 PolarHBondContact O-N 3.23Å; K166-K169 PolarHBondContact O-N 2.84Å; K166-V170 WeakPolarHBondContact O-CG2 3.4Å; K166-V170 PolarHBondContact O-N 3.17Å
167A94.6Very high93.3Very high19 Ų1979.4 Ų79.416%0.15739%0.392CS..Hα-helixtrans-66.8-37.9-178.500000112.2L163 V164 K169 V170 V171 F183 L186L163-A167 VanDerWaalsContact O-CB 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.27Å; L163-A167 PolarHBondContact O-N 2.89Å; V164-A167 PolarHBondContact O-N 2.7Å; A167-K169 PolarHBondContact O-N 2.87Å; A167-V170 PolarHBondContact O-N 3.1Å; A167-V170 VanDerWaalsContact O-N 3.13Å; A167-V171 WeakPolarHBondContact O-CG2 3.35Å; A167-V171 PolarHBondContact O-N 3.25Å; A167-F183 HydrophobicContact CB-CB 4.23Å; A167-F183 HydrophobicContact CB-CD2 3.67Å; A167-F183 HydrophobicContact CB-CG 4.38Å; A167-L186 HydrophobicContact CB-CD1 4.11Å
168A94.4Very high93.2Very high24 Ų2481.1 Ų81.120%0.19841%0.41CS..Hα-helixtrans-56-49.6175.200000111.8V164 V170 V171 E172 F183V164-A168 WeakPolarHBondContact O-CB 3.34Å; V164-A168 PolarHBondContact O-N 2.85Å; A168-V170 PolarHBondContact O-N 3.23Å; A168-V171 PolarHBondContact O-N 2.95Å; A168-E172 WeakPolarHBondContact O-CG 3.34Å; A168-E172 PolarHBondContact O-N 3.38Å; A168-F183 HydrophobicContact CB-CE2 3.7Å; A168-F183 HydrophobicContact CB-CZ 3.89Å
169K93.8Very high93.2Very high99 Ų9981.4 Ų81.443%0.4341%0.41SS..Hα-helixtrans-59.4-30.6178.3-67173-171.3169.30113.1E165 K166 A167 R173E165-K169 IonicContact OE1-NZ 2.73Å; E165-K169 PolarHBondContact OE1-NZ 3.3Å; K166-K169 PolarHBondContact O-N 2.84Å; A167-K169 PolarHBondContact O-N 2.87Å; K169-R173 WeakPolarHBondContact O-CD 3.44Å; K169-R173 WeakPolarHBondContact O-CG 3.43Å
170V92.7Very high93.2Very high64 Ų6480.2 Ų80.239%0.38841%0.408SS..Hα-helixtrans-80.8-41.5179.7179.40000111.2K166 A167 A168 R173 S174 K179K166-V170 WeakPolarHBondContact O-CG2 3.4Å; K166-V170 PolarHBondContact O-N 3.17Å; A167-V170 PolarHBondContact O-N 3.1Å; A167-V170 VanDerWaalsContact O-N 3.13Å; A168-V170 PolarHBondContact O-N 3.23Å; V170-R173 PolarHBondContact O-N 3.27Å; V170-S174 WeakPolarHBondContact O-CB 3.33Å; V170-S174 PolarHBondContact O-N 2.92Å; V170-K179 HydrophobicContact CG1-CD 3.48Å; V170-K179 VanDerWaalsContact CG1-CD 3.48Å
171V92.2Very high93.2Very high31 Ų3184.1 Ų84.119%0.18843%0.425CS..Hα-helixtrans-66.1-39.8178.11730000111.2A167 A168 R173 S174 K179 F183A167-V171 WeakPolarHBondContact O-CG2 3.35Å; A167-V171 PolarHBondContact O-N 3.25Å; A168-V171 PolarHBondContact O-N 2.95Å; V171-R173 PolarHBondContact O-N 3.19Å; V171-S174 PolarHBondContact O-N 2.87Å; V171-K179 HydrophobicContact CG2-CB 4.34Å; V171-F183 HydrophobicContact CG2-CB 3.78Å; V171-F183 HydrophobicContact CG2-CD1 4.36Å; V171-F183 HydrophobicContact CG2-CG 4.16Å
172E90.4Very high93Very high160 Ų16083.4 Ų83.475%0.74842%0.42SS*.THydrogen-bonded Turntrans-58.4-30.1175.4-75.1173.6-178.400113.4A168A168-E172 WeakPolarHBondContact O-CG 3.34Å; A168-E172 PolarHBondContact O-N 3.38Å
173R90.4Very high93.1Very high218 Ų21882.9 Ų82.982%0.82341%0.409SS*.THydrogen-bonded Turntrans-96.5-7-177.3-63.5175.5-175.9-177.7-0.2113.5K169 V170 V171K169-R173 WeakPolarHBondContact O-CD 3.44Å; K169-R173 WeakPolarHBondContact O-CG 3.43Å; V170-R173 PolarHBondContact O-N 3.27Å; V171-R173 PolarHBondContact O-N 3.19Å
174S85.8Confident93.1Very high33 Ų3385.8 Ų85.823%0.23142%0.422CS..  trans-141.8124.5-166.5-171.80000111.3V170 V171 D176V170-S174 WeakPolarHBondContact O-CB 3.33Å; V170-S174 PolarHBondContact O-N 2.92Å; V171-S174 PolarHBondContact O-N 2.87Å; S174-D176 PolarHBondContact O-N 3.41Å; S174-D176 WeakPolarHBondContact OG-CB 3.29Å; S174-D176 PolarHBondContact OG-N 3.48Å
175N86Confident93.1Very high174 Ų17485.5 Ų85.593%0.9342%0.42SS*.  trans-78.926.5171.2-72.5-29.6000113.1K177N175-K177 PolarHBondContact O-N 3.23Å
176D92.7Very high93.2Very high64 Ų6480.3 Ų80.334%0.34240%0.397SS..  trans-77.9113.6-179.2-173.5-14.6000110.7S174 A178 K179 T180S174-D176 PolarHBondContact O-N 3.41Å; S174-D176 WeakPolarHBondContact OG-CB 3.29Å; S174-D176 PolarHBondContact OG-N 3.48Å; D176-A178 VanDerWaalsContact C-N 3.25Å; D176-A178 PolarHBondContact O-N 2.95Å; D176-A178 WeakPolarHBondContact OD1-CB 3.39Å; D176-A178 PolarHBondContact OD1-N 2.99Å; D176-K179 HydrophobicContact CB-CB 4.24Å; D176-K179 HydrophobicContact CB-CD 4.01Å; D176-K179 HydrophobicContact CB-CG 3.98Å; D176-K179 PolarHBondContact O-N 3.11Å; D176-K179 WeakPolarHBondContact OD2-CE 3.44Å; D176-T180 PolarHBondContact O-N 3.31Å; D176-T180 PolarHBondContact O-OG1 2.8Å
177K92.6Very high93.3Very high184 Ų18475.2 Ų75.280%0.838%0.376SS*.Hα-helixtrans-60.1-33.9179.6-68.1-175.6178-178.90112.6N175 F181N175-K177 PolarHBondContact O-N 3.23Å; K177-F181 WeakPolarHBondContact O-CB 3.14Å; K177-F181 PolarHBondContact O-N 2.84Å
178A92.6Very high93.4Very high65 Ų6577.6 Ų77.654%0.53739%0.386SS..Hα-helixtrans-68.6-42.6-179.700000111.2D176 F181 E182D176-A178 VanDerWaalsContact C-N 3.25Å; D176-A178 PolarHBondContact O-N 2.95Å; D176-A178 WeakPolarHBondContact OD1-CB 3.39Å; D176-A178 PolarHBondContact OD1-N 2.99Å; A178-F181 PolarHBondContact O-N 2.99Å; A178-E182 PolarHBondContact O-N 3.37Å
179K92.8Very high93.6Very high86 Ų8676.4 Ų76.437%0.37438%0.376SS..Hα-helixtrans-68.6-38.2177-59.5-175.1-170.9170.50112.2V170 V171 D176 F181 E182 F183V170-K179 HydrophobicContact CG1-CD 3.48Å; V170-K179 VanDerWaalsContact CG1-CD 3.48Å; V171-K179 HydrophobicContact CG2-CB 4.34Å; D176-K179 HydrophobicContact CB-CB 4.24Å; D176-K179 HydrophobicContact CB-CD 4.01Å; D176-K179 HydrophobicContact CB-CG 3.98Å; D176-K179 PolarHBondContact O-N 3.11Å; D176-K179 WeakPolarHBondContact OD2-CE 3.44Å; K179-F181 VanDerWaalsContact C-N 3.3Å; K179-F181 PolarHBondContact O-N 3.31Å; K179-E182 PolarHBondContact O-N 3.37Å; K179-F183 WeakPolarHBondContact O-CB 3.49Å; K179-F183 PolarHBondContact O-N 2.98Å
180T94.3Very high93.8Very high52 Ų5276.4 Ų76.432%0.31937%0.374SS..Hα-helixtrans-60.8-42.9174.1-54.70000110.8D176 F183 Q184D176-T180 PolarHBondContact O-N 3.31Å; D176-T180 PolarHBondContact O-OG1 2.8Å; T180-F183 PolarHBondContact O-N 3Å; T180-Q184 WeakPolarHBondContact O-CG 3.43Å; T180-Q184 PolarHBondContact O-N 3.45Å
181F95.4Very high94Very high82 Ų8278.7 Ų78.736%0.3638%0.378SS..Hα-helixtrans-63.6-46.5176.3179.2-93000112.6K177 A178 K179 F183 Q184 T185 K208 E209K177-F181 WeakPolarHBondContact O-CB 3.14Å; K177-F181 PolarHBondContact O-N 2.84Å; A178-F181 PolarHBondContact O-N 2.99Å; K179-F181 VanDerWaalsContact C-N 3.3Å; K179-F181 PolarHBondContact O-N 3.31Å; F181-F183 VanDerWaalsContact C-N 3.33Å; F181-F183 PolarHBondContact O-N 3.1Å; F181-Q184 PolarHBondContact O-N 3.02Å; F181-T185 PolarHBondContact O-N 3.03Å; F181-T185 PolarHBondContact O-OG1 3.36Å; F181-K208 HydrophobicContact CE1-CB 3.88Å; F181-K208 HydrophobicContact CZ-CB 3.57Å; F181-E209 HydrophobicContact CE1-CG 4.39Å; F181-E209 HydrophobicContact CE2-CG 4.5Å; F181-E209 HydrophobicContact CZ-CG 3.77Å
182E94.1Very high94.2Very high54 Ų5477.6 Ų77.625%0.25237%0.371SS..Hα-helixtrans-59.8-43176.7-171.4168.5142.300111.6A178 K179 Q184 T185 L186 K215 H216A178-E182 PolarHBondContact O-N 3.37Å; K179-E182 PolarHBondContact O-N 3.37Å; E182-Q184 PolarHBondContact O-N 3.33Å; E182-T185 WeakPolarHBondContact O-CB 3.27Å; E182-T185 PolarHBondContact O-N 2.97Å; E182-L186 WeakPolarHBondContact O-CG 3.41Å; E182-L186 PolarHBondContact O-N 3.29Å; E182-K215 IonicContact OE2-NZ 2.67Å; E182-K215 PolarHBondContact OE2-NZ 3.46Å; E182-H216 IonicContact OE1-NE2 3.69Å
183F95.9Very high94.5Very high33 Ų3370 Ų7015%0.14534%0.336CS..Hα-helixtrans-60.1-46174.8177.3-118.6000112.8V164 A167 A168 V171 K179 T180 F181 T185 L186 L187V164-F183 HydrophobicContact CG1-CE2 3.87Å; A167-F183 HydrophobicContact CB-CB 4.23Å; A167-F183 HydrophobicContact CB-CD2 3.67Å; A167-F183 HydrophobicContact CB-CG 4.38Å; A168-F183 HydrophobicContact CB-CE2 3.7Å; A168-F183 HydrophobicContact CB-CZ 3.89Å; V171-F183 HydrophobicContact CG2-CB 3.78Å; V171-F183 HydrophobicContact CG2-CD1 4.36Å; V171-F183 HydrophobicContact CG2-CG 4.16Å; K179-F183 WeakPolarHBondContact O-CB 3.49Å; K179-F183 PolarHBondContact O-N 2.98Å; T180-F183 PolarHBondContact O-N 3Å; F181-F183 VanDerWaalsContact C-N 3.33Å; F181-F183 PolarHBondContact O-N 3.1Å; F183-T185 VanDerWaalsContact C-N 3.29Å; F183-T185 PolarHBondContact O-N 3.35Å; F183-L186 PolarHBondContact O-N 3.13Å; F183-L187 HydrophobicContact CD1-CD1 4.15Å; F183-L187 HydrophobicContact CE1-CD1 3.68Å; F183-L187 HydrophobicContact CE1-CG 4.37Å; F183-L187 HydrophobicContact CE2-CD1 4.43Å; F183-L187 HydrophobicContact CE2-CD2 4.31Å; F183-L187 HydrophobicContact CE2-CG 4.28Å; F183-L187 HydrophobicContact CZ-CD1 3.86Å; F183-L187 HydrophobicContact CZ-CD2 4.21Å; F183-L187 HydrophobicContact CZ-CG 4.17Å; F183-L187 WeakPolarHBondContact O-CG 3.37Å; F183-L187 PolarHBondContact O-N 2.9Å
184Q96.5Very high94.8Very high93 Ų9361.2 Ų61.244%0.43531%0.31SS..Hα-helixtrans-62.5-37176-69-59.6-33.100112.1T180 F181 E182 L187 N188T180-Q184 WeakPolarHBondContact O-CG 3.43Å; T180-Q184 PolarHBondContact O-N 3.45Å; F181-Q184 PolarHBondContact O-N 3.02Å; E182-Q184 PolarHBondContact O-N 3.33Å; Q184-L187 PolarHBondContact O-N 3.05Å; Q184-N188 PolarHBondContact O-N 3.49Å
185T96.8Very high95.3Very high3 Ų365.5 Ų65.52%0.01833%0.33CS..Hα-helixtrans-63.2-44.4176-53.80000110.5F181 E182 F183 L187 N188 V189 E209 A212 L213F181-T185 PolarHBondContact O-N 3.03Å; F181-T185 PolarHBondContact O-OG1 3.36Å; E182-T185 WeakPolarHBondContact O-CB 3.27Å; E182-T185 PolarHBondContact O-N 2.97Å; F183-T185 VanDerWaalsContact C-N 3.29Å; F183-T185 PolarHBondContact O-N 3.35Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 3.17Å; T185-N188 WeakPolarHBondContact O-CB 3.45Å; T185-N188 PolarHBondContact O-N 3.25Å; T185-V189 WeakPolarHBondContact O-CG2 3.45Å; T185-V189 PolarHBondContact O-N 2.98Å; T185-E209 HydrophobicContact CG2-CB 3.97Å; T185-E209 HydrophobicContact CG2-CG 3.98Å; T185-A212 HydrophobicContact CG2-CB 4.26Å; T185-L213 HydrophobicContact CG2-CD2 4.11Å; T185-L213 HydrophobicContact CG2-CG 4.34Å
186L97.5Very high95.8Very high4 Ų461.5 Ų61.52%0.02131%0.306CS..Hα-helixtrans-64.2-35.3176-68.8170.7000112.9V160 L163 V164 A167 E182 F183 V189 R190 F218V160-L186 HydrophobicContact CG2-CB 4.36Å; V160-L186 HydrophobicContact CG2-CD2 4.11Å; V160-L186 WeakPolarHBondContact CG2-O 3.34Å; L163-L186 HydrophobicContact CB-CD1 3.95Å; L163-L186 HydrophobicContact CB-CD2 4.16Å; L163-L186 HydrophobicContact CD1-CD2 3.91Å; V164-L186 HydrophobicContact CG2-CB 3.76Å; A167-L186 HydrophobicContact CB-CD1 4.11Å; E182-L186 WeakPolarHBondContact O-CG 3.41Å; E182-L186 PolarHBondContact O-N 3.29Å; F183-L186 PolarHBondContact O-N 3.13Å; L186-V189 PolarHBondContact O-N 3.41Å; L186-R190 WeakPolarHBondContact O-CB 3.17Å; L186-R190 PolarHBondContact O-N 2.7Å; L186-F218 HydrophobicContact CD2-CZ 4.15Å
187L97.3Very high95.9Very high37 Ų3764.5 Ų64.519%0.19432%0.316CS..Hα-helixtrans-64-41.2173-70.4177000111.9V164 F183 Q184 T185 R190 K191V164-L187 HydrophobicContact CG1-CD2 3.73Å; V164-L187 HydrophobicContact CG2-CD2 4.32Å; F183-L187 HydrophobicContact CD1-CD1 4.15Å; F183-L187 HydrophobicContact CE1-CD1 3.68Å; F183-L187 HydrophobicContact CE1-CG 4.37Å; F183-L187 HydrophobicContact CE2-CD1 4.43Å; F183-L187 HydrophobicContact CE2-CD2 4.31Å; F183-L187 HydrophobicContact CE2-CG 4.28Å; F183-L187 HydrophobicContact CZ-CD1 3.86Å; F183-L187 HydrophobicContact CZ-CD2 4.21Å; F183-L187 HydrophobicContact CZ-CG 4.17Å; F183-L187 WeakPolarHBondContact O-CG 3.37Å; F183-L187 PolarHBondContact O-N 2.9Å; Q184-L187 PolarHBondContact O-N 3.05Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 3.17Å; L187-R190 PolarHBondContact O-N 3.19Å; L187-K191 WeakPolarHBondContact O-CB 3.36Å; L187-K191 PolarHBondContact O-N 3.19Å
188N97.3Very high95.9Very high69 Ų6960.6 Ų60.637%0.36930%0.296SS..Hα-helixtrans-63.8-42.3175.6-68.9-17.4000111.5Q184 T185 K191 L192 W205 E209Q184-N188 PolarHBondContact O-N 3.49Å; T185-N188 WeakPolarHBondContact O-CB 3.45Å; T185-N188 PolarHBondContact O-N 3.25Å; N188-K191 PolarHBondContact O-N 3.39Å; N188-L192 WeakPolarHBondContact O-CB 3.45Å; N188-L192 PolarHBondContact O-N 2.93Å; N188-W205 HydrophobicContact CB-CH2 4.19Å; N188-W205 HydrophobicContact CB-CZ3 3.79Å; N188-E209 PolarHBondContact ND2-OE1 3.27Å
189V97.7Very high96.1Very high0 Ų057.5 Ų57.50%027%0.271CS..Hα-helixtrans-60-47.2173.6172.60000111.1V160 T185 L186 K191 L192 L193 V200 W205 L213 F218V160-V189 HydrophobicContact CB-CG1 4.26Å; V160-V189 HydrophobicContact CG2-CB 4.05Å; V160-V189 HydrophobicContact CG2-CG1 3.81Å; T185-V189 WeakPolarHBondContact O-CG2 3.45Å; T185-V189 PolarHBondContact O-N 2.98Å; L186-V189 PolarHBondContact O-N 3.41Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.2Å; V189-L192 PolarHBondContact O-N 3.33Å; V189-L193 HydrophobicContact CG1-CD1 3.68Å; V189-L193 HydrophobicContact CG1-CG 4.37Å; V189-L193 WeakPolarHBondContact O-CG 3.37Å; V189-L193 PolarHBondContact O-N 3Å; V189-V200 HydrophobicContact CG1-CG2 3.81Å; V189-W205 HydrophobicContact CB-CH2 4.4Å; V189-W205 HydrophobicContact CG2-CH2 3.62Å; V189-W205 HydrophobicContact CG2-CZ2 4.1Å; V189-W205 HydrophobicContact CG2-CZ3 4.24Å; V189-L213 HydrophobicContact CG2-CD2 3.26Å; V189-F218 HydrophobicContact CG1-CE1 4.23Å; V189-F218 HydrophobicContact CG1-CE2 4.09Å; V189-F218 HydrophobicContact CG1-CZ 3.9Å; V189-F218 HydrophobicContact CG2-CE2 4.31Å
190R97.8Very high96.2Very high99 Ų9953.4 Ų53.437%0.37425%0.253SS..Hα-helixtrans-59.3-44.1178.1-174.9-17767.3173.34.2111.5L157 V160 N161 L186 L187 L193 A194L157-R190 HydrophobicContact CD1-CG 4.14Å; V160-R190 HydrophobicContact CG1-CB 3.9Å; V160-R190 HydrophobicContact CG1-CG 4.14Å; V160-R190 HydrophobicContact CG2-CB 4.22Å; N161-R190 WeakPolarHBondContact OD1-CD 3.5Å; N161-R190 WeakPolarHBondContact OD1-CG 3.43Å; L186-R190 WeakPolarHBondContact O-CB 3.17Å; L186-R190 PolarHBondContact O-N 2.7Å; L187-R190 PolarHBondContact O-N 3.19Å; R190-L193 PolarHBondContact O-N 3.34Å; R190-A194 WeakPolarHBondContact O-CB 3.37Å; R190-A194 PolarHBondContact O-N 2.92Å
191K97.5Very high96.2Very high112 Ų11253 Ų5349%0.48725%0.246SC..Hα-helixtrans-59.7-48.5176.4-178.5-174.6175.6-171.60111.5L187 N188 V189 L193 A194 D195 E196L187-K191 WeakPolarHBondContact O-CB 3.36Å; L187-K191 PolarHBondContact O-N 3.19Å; N188-K191 PolarHBondContact O-N 3.39Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.2Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 3.04Å; K191-A194 PolarHBondContact O-N 3.24Å; K191-D195 HydrophobicContact CG-CB 4.37Å; K191-D195 WeakPolarHBondContact CG-OD2 3.49Å; K191-D195 WeakPolarHBondContact O-CA 3.39Å; K191-D195 WeakPolarHBondContact O-CB 3.48Å; K191-D195 PolarHBondContact O-N 2.98Å; K191-E196 PolarHBondContact O-N 3.41Å
192L96.9Very high96.1Very high8 Ų850.9 Ų50.94%0.04224%0.236CC..Hα-helixtrans-58.8-45.5178.7-177.270.4000111.7N188 V189 E196 K197 R198 W205N188-L192 WeakPolarHBondContact O-CB 3.45Å; N188-L192 PolarHBondContact O-N 2.93Å; V189-L192 PolarHBondContact O-N 3.33Å; L192-E196 HydrophobicContact CD1-CB 4.32Å; L192-E196 WeakPolarHBondContact CD1-OE2 3.33Å; L192-E196 WeakPolarHBondContact O-CB 3.36Å; L192-K197 PolarHBondContact O-N 3.44Å; L192-R198 HydrophobicContact CD1-CB 3.83Å; L192-R198 HydrophobicContact CG-CB 4.2Å; L192-R198 PolarHBondContact O-N 3.27Å; L192-W205 HydrophobicContact CD2-CH2 4.35Å; L192-W205 HydrophobicContact CD2-CZ2 3.69Å
193L97.2Very high96Very high0 Ų049.1 Ų49.10%023%0.233CC..Hα-helixtrans-71.2-47.4-179.8-70.1168.7000111.8R153 D156 L157 V160 V189 R190 K191 K197 R198 V200R153-L193 HydrophobicContact CG-CD2 3.78Å; R153-L193 PolarHBondContact NH1-O 2.98Å; D156-L193 HydrophobicContact CB-CD1 3.73Å; D156-L193 HydrophobicContact CB-CD2 4.21Å; L157-L193 HydrophobicContact CB-CB 4.36Å; L157-L193 HydrophobicContact CD1-CB 4.26Å; V160-L193 HydrophobicContact CG1-CD1 4.08Å; V189-L193 HydrophobicContact CG1-CD1 3.68Å; V189-L193 HydrophobicContact CG1-CG 4.37Å; V189-L193 WeakPolarHBondContact O-CG 3.37Å; V189-L193 PolarHBondContact O-N 3Å; R190-L193 PolarHBondContact O-N 3.34Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 3.04Å; L193-K197 WeakPolarHBondContact O-CA 3.39Å; L193-R198 WeakPolarHBondContact CD2-O 3.37Å; L193-V200 HydrophobicContact CD1-CG2 4.23Å; L193-V200 HydrophobicContact CD2-CG2 4.23Å; L193-V200 HydrophobicContact CG-CG2 4.3Å
194A96.9Very high95.8Very high34 Ų3453.4 Ų53.428%0.28127%0.267SS..Hα-helixtrans-79-50.4-172.900000113.2L157 R190 K191L157-A194 HydrophobicContact CD1-CB 3.82Å; L157-A194 HydrophobicContact CD2-CB 4.21Å; R190-A194 WeakPolarHBondContact O-CB 3.37Å; R190-A194 PolarHBondContact O-N 2.92Å; K191-A194 PolarHBondContact O-N 3.24Å
195D96Very high95.7Very high122 Ų12251.3 Ų51.365%0.65226%0.255SS*.THydrogen-bonded Turntrans-92.2-46.8-166.7-55.9-15.5000110.6K191K191-D195 HydrophobicContact CG-CB 4.37Å; K191-D195 WeakPolarHBondContact CG-OD2 3.49Å; K191-D195 WeakPolarHBondContact O-CA 3.39Å; K191-D195 WeakPolarHBondContact O-CB 3.48Å; K191-D195 PolarHBondContact O-N 2.98Å
196E94.9Very high95.6Very high91 Ų9153.8 Ų53.843%0.42527%0.273SS..SBendtrans-83.4-14.3179.6-60.9179.7-143.500112.8K191 L192 R198K191-E196 PolarHBondContact O-N 3.41Å; L192-E196 HydrophobicContact CD1-CB 4.32Å; L192-E196 WeakPolarHBondContact CD1-OE2 3.33Å; L192-E196 WeakPolarHBondContact O-CB 3.36Å; E196-R198 HydrophobicContact CB-CB 4.46Å; E196-R198 HydrophobicContact CB-CG 4.38Å; E196-R198 WeakPolarHBondContact O-CG 3.49Å; E196-R198 PolarHBondContact O-N 3.21Å; E196-R198 IonicContact OE2-NH1 3.16Å; E196-R198 PolarHBondContact OE2-NH1 2.95Å
197K95Very high95.4Very high126 Ų12657.8 Ų57.855%0.54829%0.294SS..  trans53.936.8-175.2-58.4-172.3179.2-175.90113.8Y149 L192 L193Y149-K197 PolarHBondContact OH-O 3.31Å; L192-K197 PolarHBondContact O-N 3.44Å; L193-K197 WeakPolarHBondContact O-CA 3.39Å
198R94.1Very high95.2Very high102 Ų10262.8 Ų62.839%0.38531%0.314SS..  trans-113.7147.7-177.1-72.7172.772.2-144.61.7112.5Y149 L192 L193 E196 F202Y149-R198 WeakPolarHBondContact OH-CA 3.49Å; L192-R198 HydrophobicContact CD1-CB 3.83Å; L192-R198 HydrophobicContact CG-CB 4.2Å; L192-R198 PolarHBondContact O-N 3.27Å; L193-R198 WeakPolarHBondContact CD2-O 3.37Å; E196-R198 HydrophobicContact CB-CB 4.46Å; E196-R198 HydrophobicContact CB-CG 4.38Å; E196-R198 WeakPolarHBondContact O-CG 3.49Å; E196-R198 PolarHBondContact O-N 3.21Å; E196-R198 IonicContact OE2-NH1 3.16Å; E196-R198 PolarHBondContact OE2-NH1 2.95Å; R198-F202 VanDerWaalsContact NH2-CB 3.29Å; R198-F202 PolarHBondContact NH2-O 3.07Å; R198-F202 VanDerWaalsContact NH2-O 3.08Å
199H95.4Very high95.1Very high1 Ų161 Ų611%0.00530%0.303CS..  trans-67149.3174.6-79.9-159.7000112.5Y149 R201 F202 T220Y149-H199 AromaticContact CD1-NE2 3.76Å; Y149-H199 AromaticContact CD2-CD2 3.85Å; Y149-H199 AromaticContact CD2-CE1 3.35Å; Y149-H199 WeakPolarHBondContact CD2-CE1 3.37Å; Y149-H199 AromaticContact CD2-ND1 3.95Å; Y149-H199 AromaticContact CD2-NE2 3.28Å; Y149-H199 VanDerWaalsContact CD2-NE2 3.28Å; Y149-H199 WeakPolarHBondContact CD2-NE2 3.29Å; Y149-H199 AromaticContact CE1-CD2 3.82Å; Y149-H199 AromaticContact CE1-NE2 3.81Å; Y149-H199 HydrophobicContact CE2-CB 4.46Å; Y149-H199 AromaticContact CE2-CD2 3.38Å; Y149-H199 WeakPolarHBondContact CE2-CD2 3.46Å; Y149-H199 AromaticContact CE2-CE1 3.57Å; Y149-H199 AromaticContact CE2-CG 3.63Å; Y149-H199 AromaticContact CE2-ND1 3.76Å; Y149-H199 AromaticContact CE2-NE2 3.35Å; Y149-H199 WeakPolarHBondContact CE2-NE2 3.46Å; Y149-H199 AromaticContact CG-CE1 3.89Å; Y149-H199 AromaticContact CG-NE2 3.48Å; Y149-H199 AromaticContact CZ-CD2 3.35Å; Y149-H199 AromaticContact CZ-CG 3.94Å; Y149-H199 AromaticContact CZ-NE2 3.61Å; Y149-H199 PolarHBondContact O-NE2 2.84Å; Y149-H199 PolarHBondContact OH-N 3.45Å; H199-R201 VanDerWaalsContact C-N 3.26Å; H199-R201 HydrophobicContact CB-CG 4.32Å; H199-R201 PolarHBondContact O-N 2.96Å; H199-F202 HydrophobicContact CB-CD2 3.72Å; H199-F202 HydrophobicContact CB-CE2 3.68Å; H199-F202 PolarHBondContact O-N 3.2Å; H199-F202 VanDerWaalsContact O-N 3.08Å; H199-T220 HydrophobicContact CB-CG2 4.24Å; H199-T220 VanDerWaalsContact CD2-CG2 3.48Å; H199-T220 WeakPolarHBondContact CD2-CG2 3.44Å; H199-T220 VanDerWaalsContact CG-CB 3.47Å
200V96Very high94.9Very high0 Ų061.4 Ų61.40%031%0.306CS..G310 helixtrans-57-36.1-176.51730000112.9I16 V189 L193 F202 G203 W205 L213 F218 T220 A221I16-V200 HydrophobicContact CD1-CG1 4.11Å; V189-V200 HydrophobicContact CG1-CG2 3.81Å; L193-V200 HydrophobicContact CD1-CG2 4.23Å; L193-V200 HydrophobicContact CD2-CG2 4.23Å; L193-V200 HydrophobicContact CG-CG2 4.3Å; V200-F202 PolarHBondContact O-N 3.37Å; V200-F202 VanDerWaalsContact O-N 3.11Å; V200-G203 PolarHBondContact O-N 2.94Å; V200-G203 VanDerWaalsContact O-N 3.11Å; V200-W205 HydrophobicContact CG1-CZ2 4.22Å; V200-W205 PolarHBondContact O-NE1 2.95Å; V200-L213 HydrophobicContact CG1-CD1 4.22Å; V200-L213 HydrophobicContact CG1-CD2 4.43Å; V200-F218 HydrophobicContact CG1-CD2 4.42Å; V200-F218 HydrophobicContact CG2-CB 4.21Å; V200-F218 HydrophobicContact CG2-CD2 4.41Å; V200-F218 HydrophobicContact CG2-CG 4.24Å; V200-T220 WeakPolarHBondContact CG2-OG1 3.41Å; V200-T220 PolarHBondContact N-O 2.92Å; V200-T220 PolarHBondContact N-OG1 3.19Å; V200-T220 VanDerWaalsContact N-OG1 3.12Å; V200-A221 HydrophobicContact CB-CB 4.23Å; V200-A221 HydrophobicContact CG1-CB 4.05Å
201R93.4Very high94.7Very high44 Ų4462.5 Ų62.517%0.16632%0.316CS..G310 helixtrans-63-15.8179.466.7-177165.7151.6-5115H199 T220 I224 D254 S257H199-R201 VanDerWaalsContact C-N 3.26Å; H199-R201 HydrophobicContact CB-CG 4.32Å; H199-R201 PolarHBondContact O-N 2.96Å; R201-T220 WeakPolarHBondContact CG-O 3.4Å; R201-T220 PolarHBondContact N-O 2.88Å; R201-T220 VanDerWaalsContact N-O 3.07Å; R201-I224 VanDerWaalsContact NH2-CD1 3.27Å; R201-D254 IonicContact CZ-OD1 2.57Å; R201-D254 IonicContact CZ-OD2 2.75Å; R201-D254 IonicContact NE-OD1 3.36Å; R201-D254 IonicContact NH1-OD1 3.58Å; R201-D254 PolarHBondContact NH1-OD1 2.88Å; R201-D254 IonicContact NH1-OD2 3.1Å; R201-D254 PolarHBondContact NH1-OD2 3.21Å; R201-D254 IonicContact NH2-OD1 2.61Å; R201-D254 PolarHBondContact NH2-OD1 3.44Å; R201-D254 IonicContact NH2-OD2 3.76Å; R201-D254 PolarHBondContact NH2-OD2 2.96Å; R201-S257 PolarHBondContact NH1-OG 3.42Å
202F92.8Very high94.5Very high36 Ų3657.6 Ų57.616%0.15830%0.295CS..G310 helixtrans-97.6-0.5177.9-49.3-55.5000114Y149 R198 H199 V200 N253 D254Y149-F202 HydrophobicContact CE2-CE2 4.27Å; R198-F202 VanDerWaalsContact NH2-CB 3.29Å; R198-F202 PolarHBondContact NH2-O 3.07Å; R198-F202 VanDerWaalsContact NH2-O 3.08Å; H199-F202 HydrophobicContact CB-CD2 3.72Å; H199-F202 HydrophobicContact CB-CE2 3.68Å; H199-F202 PolarHBondContact O-N 3.2Å; H199-F202 VanDerWaalsContact O-N 3.08Å; V200-F202 PolarHBondContact O-N 3.37Å; V200-F202 VanDerWaalsContact O-N 3.11Å; F202-N253 VanDerWaalsContact CE2-O 3.27Å; F202-N253 WeakPolarHBondContact CE2-O 3.31Å; F202-N253 WeakPolarHBondContact CZ-O 3.45Å; F202-D254 HydrophobicContact CE1-CB 4.45Å; F202-D254 WeakPolarHBondContact CE1-OD1 3.34Å; F202-D254 HydrophobicContact CZ-CB 3.82Å; F202-D254 WeakPolarHBondContact CZ-OD1 3.5Å
203G92.3Very high94.4Very high18 Ų1857.4 Ų57.419%0.18630%0.295CS..SBendtrans-69.7152.9171.800000111.8V200 W205V200-G203 PolarHBondContact O-N 2.94Å; V200-G203 VanDerWaalsContact O-N 3.11Å; G203-W205 VanDerWaalsContact O-CD1 3.32Å
204S92.3Very high94.2Very high123 Ų12359 Ų5986%0.8630%0.303SS*.  trans-92.2105170.7-650000108.9
205W94.5Very high94Very high48 Ų4863.7 Ų63.718%0.18232%0.317CS..  trans-115135.2-174.2-51112000110.6N188 V189 L192 V200 G203 E209 V210 L213N188-W205 HydrophobicContact CB-CH2 4.19Å; N188-W205 HydrophobicContact CB-CZ3 3.79Å; V189-W205 HydrophobicContact CB-CH2 4.4Å; V189-W205 HydrophobicContact CG2-CH2 3.62Å; V189-W205 HydrophobicContact CG2-CZ2 4.1Å; V189-W205 HydrophobicContact CG2-CZ3 4.24Å; L192-W205 HydrophobicContact CD2-CH2 4.35Å; L192-W205 HydrophobicContact CD2-CZ2 3.69Å; V200-W205 HydrophobicContact CG1-CZ2 4.22Å; V200-W205 PolarHBondContact O-NE1 2.95Å; G203-W205 VanDerWaalsContact O-CD1 3.32Å; W205-E209 HydrophobicContact CB-CB 4.12Å; W205-E209 HydrophobicContact CE3-CB 4.22Å; W205-V210 HydrophobicContact CB-CG2 3.63Å; W205-L213 HydrophobicContact CB-CD1 4.32Å; W205-L213 HydrophobicContact CD2-CD1 3.6Å; W205-L213 HydrophobicContact CE3-CD1 4.18Å; W205-L213 HydrophobicContact CG-CD1 3.65Å; W205-L213 HydrophobicContact CZ2-CD1 4.36Å
206S94.5Very high93.8Very high56 Ų5659.5 Ų59.539%0.39229%0.294SS..  trans-69.7159.3166.563.40000111.3K208 E209 V210S206-K208 PolarHBondContact O-N 3.07Å; S206-K208 VanDerWaalsContact O-N 3.1Å; S206-E209 WeakPolarHBondContact CB-OE2 3.42Å; S206-E209 PolarHBondContact N-OE2 2.93Å; S206-E209 WeakPolarHBondContact O-CA 3.43Å; S206-E209 WeakPolarHBondContact O-CB 3.38Å; S206-E209 PolarHBondContact O-N 3.2Å; S206-E209 WeakPolarHBondContact OG-CG 3.41Å; S206-E209 PolarHBondContact OG-N 3.12Å; S206-E209 PolarHBondContact OG-OE2 3.08Å; S206-V210 PolarHBondContact O-N 3.28Å
207D92.7Very high93.7Very high87 Ų8757.1 Ų57.147%0.46528%0.284SS..Hα-helixtrans-51.1-39.9177.9-69.5-21.4000112.9T14 V210 E211T14-D207 WeakPolarHBondContact OG1-CB 3.36Å; T14-D207 PolarHBondContact OG1-OD1 3.38Å; D207-V210 PolarHBondContact O-N 3.03Å; D207-E211 WeakPolarHBondContact O-CG 3.47Å; D207-E211 PolarHBondContact O-N 3.41Å
208K93.2Very high93.7Very high143 Ų14351.3 Ų51.362%0.62226%0.258SS*.Hα-helixtrans-69.7-35.7178.2-70.2-174.9178.1179.70112.8F181 S206 A212F181-K208 HydrophobicContact CE1-CB 3.88Å; F181-K208 HydrophobicContact CZ-CB 3.57Å; S206-K208 PolarHBondContact O-N 3.07Å; S206-K208 VanDerWaalsContact O-N 3.1Å; K208-A212 PolarHBondContact O-N 3.37Å
209E95.6Very high93.8Very high30 Ų3047 Ų4714%0.1424%0.243CC..Hα-helixtrans-67.2-43.1173.9-73.6166.7127.600109.9F181 T185 N188 W205 S206 E211 A212 L213F181-E209 HydrophobicContact CE1-CG 4.39Å; F181-E209 HydrophobicContact CE2-CG 4.5Å; F181-E209 HydrophobicContact CZ-CG 3.77Å; T185-E209 HydrophobicContact CG2-CB 3.97Å; T185-E209 HydrophobicContact CG2-CG 3.98Å; N188-E209 PolarHBondContact ND2-OE1 3.27Å; W205-E209 HydrophobicContact CB-CB 4.12Å; W205-E209 HydrophobicContact CE3-CB 4.22Å; S206-E209 WeakPolarHBondContact CB-OE2 3.42Å; S206-E209 PolarHBondContact N-OE2 2.93Å; S206-E209 WeakPolarHBondContact O-CA 3.43Å; S206-E209 WeakPolarHBondContact O-CB 3.38Å; S206-E209 PolarHBondContact O-N 3.2Å; S206-E209 WeakPolarHBondContact OG-CG 3.41Å; S206-E209 PolarHBondContact OG-N 3.12Å; S206-E209 PolarHBondContact OG-OE2 3.08Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.27Å; E209-A212 CarbonylContact O-C 3.58Å; E209-A212 WeakPolarHBondContact O-CA 3.47Å; E209-A212 WeakPolarHBondContact O-CB 3.43Å; E209-A212 PolarHBondContact O-N 3.35Å; E209-L213 VanDerWaalsContact O-CG 3.29Å; E209-L213 WeakPolarHBondContact O-CG 3.45Å; E209-L213 PolarHBondContact O-N 3.28Å
210V94.2Very high93.7Very high10 Ų1047 Ų476%0.06124%0.243CC..Hα-helixtrans-59.6-42.7176.3-178.60000111.6T14 I16 W205 S206 D207 A212 L213 N214T14-V210 HydrophobicContact CG2-CB 3.69Å; T14-V210 HydrophobicContact CG2-CG1 3.54Å; I16-V210 HydrophobicContact CB-CG1 4.05Å; I16-V210 HydrophobicContact CG1-CG1 4.38Å; W205-V210 HydrophobicContact CB-CG2 3.63Å; S206-V210 PolarHBondContact O-N 3.28Å; D207-V210 PolarHBondContact O-N 3.03Å; V210-A212 VanDerWaalsContact C-N 3.26Å; V210-A212 PolarHBondContact O-N 3.49Å; V210-L213 PolarHBondContact O-N 3.2Å; V210-N214 WeakPolarHBondContact O-CB 3.18Å; V210-N214 PolarHBondContact O-N 2.82Å; V210-N214 PolarHBondContact O-OD1 3.28Å
211E92.6Very high93.7Very high122 Ų12247.5 Ų47.557%0.5725%0.247SC*.Hα-helixtrans-57.2-38172.9-75176.6-174.700112.6T14 D207 E209T14-E211 HydrophobicContact CG2-CG 4.28Å; D207-E211 WeakPolarHBondContact O-CG 3.47Å; D207-E211 PolarHBondContact O-N 3.41Å; E209-E211 VanDerWaalsContact C-N 3.33Å; E209-E211 PolarHBondContact O-N 3.27Å
212A93.2Very high93.8Very high8 Ų846 Ų467%0.06624%0.242CC..Hα-helixtrans-71.5-44.3175.200000112.1T185 K208 E209 V210 N214 K215 H216T185-A212 HydrophobicContact CG2-CB 4.26Å; K208-A212 PolarHBondContact O-N 3.37Å; E209-A212 CarbonylContact O-C 3.58Å; E209-A212 WeakPolarHBondContact O-CA 3.47Å; E209-A212 WeakPolarHBondContact O-CB 3.43Å; E209-A212 PolarHBondContact O-N 3.35Å; V210-A212 VanDerWaalsContact C-N 3.26Å; V210-A212 PolarHBondContact O-N 3.49Å; A212-N214 VanDerWaalsContact C-N 3.3Å; A212-N214 PolarHBondContact O-N 3.47Å; A212-K215 WeakPolarHBondContact O-CB 3.36Å; A212-K215 PolarHBondContact O-N 2.97Å; A212-H216 PolarHBondContact O-CD2 2.96Å
213L94.6Very high93.9Very high5 Ų546.3 Ų46.33%0.02625%0.247CC..Hα-helixtrans-58.9-40.5177.4-66.4175.4000112.2I16 T185 V189 V200 W205 E209 V210 K215 H216 L217 F218I16-L213 HydrophobicContact CD1-CD1 4.13Å; T185-L213 HydrophobicContact CG2-CD2 4.11Å; T185-L213 HydrophobicContact CG2-CG 4.34Å; V189-L213 HydrophobicContact CG2-CD2 3.26Å; V200-L213 HydrophobicContact CG1-CD1 4.22Å; V200-L213 HydrophobicContact CG1-CD2 4.43Å; W205-L213 HydrophobicContact CB-CD1 4.32Å; W205-L213 HydrophobicContact CD2-CD1 3.6Å; W205-L213 HydrophobicContact CE3-CD1 4.18Å; W205-L213 HydrophobicContact CG-CD1 3.65Å; W205-L213 HydrophobicContact CZ2-CD1 4.36Å; E209-L213 VanDerWaalsContact O-CG 3.29Å; E209-L213 WeakPolarHBondContact O-CG 3.45Å; E209-L213 PolarHBondContact O-N 3.28Å; V210-L213 PolarHBondContact O-N 3.2Å; L213-K215 PolarHBondContact O-N 2.65Å; L213-K215 VanDerWaalsContact O-N 3.08Å; L213-H216 PolarHBondContact O-N 2.55Å; L213-L217 PolarHBondContact O-N 3.04Å; L213-F218 HydrophobicContact CD2-CD2 4.23Å; L213-F218 HydrophobicContact CD2-CE2 3.9Å
214N93.5Very high94.1Very high33 Ų3345.8 Ų45.818%0.17624%0.24CC..THydrogen-bonded Turntrans-63-16.2-178.2-72.9-8.3000113.5L15 I16 G17 V210 A212 H216 L217L15-N214 PolarHBondContact O-ND2 3.19Å; I16-N214 WeakPolarHBondContact CA-OD1 3.5Å; G17-N214 PolarHBondContact N-OD1 3.21Å; G17-N214 PolarHBondContact O-ND2 3.4Å; G17-N214 PolarHBondContact O-OD1 3.2Å; V210-N214 WeakPolarHBondContact O-CB 3.18Å; V210-N214 PolarHBondContact O-N 2.82Å; V210-N214 PolarHBondContact O-OD1 3.28Å; A212-N214 VanDerWaalsContact C-N 3.3Å; A212-N214 PolarHBondContact O-N 3.47Å; N214-H216 VanDerWaalsContact C-N 3.33Å; N214-L217 VanDerWaalsContact O-CD2 3.3Å; N214-L217 WeakPolarHBondContact O-CD2 3.5Å
215K93Very high94.4Very high132 Ų13240.1 Ų40.157%0.57420%0.201SC*.THydrogen-bonded Turntrans-72.3-26.5172.1-57.6179.5-170.6175.60113E182 A212 L213E182-K215 IonicContact OE2-NZ 2.67Å; E182-K215 PolarHBondContact OE2-NZ 3.46Å; A212-K215 WeakPolarHBondContact O-CB 3.36Å; A212-K215 PolarHBondContact O-N 2.97Å; L213-K215 PolarHBondContact O-N 2.65Å; L213-K215 VanDerWaalsContact O-N 3.08Å
216H92.8Very high94.5Very high34 Ų3438 Ų3816%0.15719%0.192CC..THydrogen-bonded Turntrans-101.3-19.9-172.5-57.3-61.6000113.3L163 E182 A212 L213 N214 F218L163-H216 HydrophobicContact CD1-CB 4.23Å; L163-H216 WeakPolarHBondContact CD1-ND1 3.35Å; E182-H216 IonicContact OE1-NE2 3.69Å; A212-H216 PolarHBondContact O-CD2 2.96Å; L213-H216 PolarHBondContact O-N 2.55Å; N214-H216 VanDerWaalsContact C-N 3.33Å; H216-F218 VanDerWaalsContact C-N 3.29Å; H216-F218 HydrophobicContact CB-CD2 4.06Å; H216-F218 HydrophobicContact CB-CE1 4.42Å; H216-F218 HydrophobicContact CB-CE2 3.66Å; H216-F218 HydrophobicContact CB-CZ 3.85Å; H216-F218 PolarHBondContact O-N 3.45Å
217L92.8Very high94.7Very high42 Ų4235.3 Ų35.322%0.2217%0.174CC..  trans52.142.8175.2-58.7178.4000113.9R18 L213 N214R18-L217 HydrophobicContact CB-CD2 4.2Å; L213-L217 PolarHBondContact O-N 3.04Å; N214-L217 VanDerWaalsContact O-CD2 3.3Å; N214-L217 WeakPolarHBondContact O-CD2 3.5Å
218F95.1Very high95Very high3 Ų331.1 Ų31.11%0.01315%0.152CC..  trans-44.8139.9178-69.2-69.1000112.8D156 H159 V160 L163 L186 V189 V200 L213 H216 T220 A221D156-F218 HydrophobicContact CB-CD1 4.16Å; H159-F218 AromaticContact CD2-CE1 3.73Å; V160-F218 HydrophobicContact CB-CE1 4.02Å; V160-F218 HydrophobicContact CB-CZ 4.31Å; V160-F218 HydrophobicContact CG2-CE1 4.41Å; V160-F218 HydrophobicContact CG2-CZ 4.21Å; L163-F218 HydrophobicContact CD1-CE1 4.44Å; L163-F218 HydrophobicContact CD1-CZ 4.18Å; L186-F218 HydrophobicContact CD2-CZ 4.15Å; V189-F218 HydrophobicContact CG1-CE1 4.23Å; V189-F218 HydrophobicContact CG1-CE2 4.09Å; V189-F218 HydrophobicContact CG1-CZ 3.9Å; V189-F218 HydrophobicContact CG2-CE2 4.31Å; V200-F218 HydrophobicContact CG1-CD2 4.42Å; V200-F218 HydrophobicContact CG2-CB 4.21Å; V200-F218 HydrophobicContact CG2-CD2 4.41Å; V200-F218 HydrophobicContact CG2-CG 4.24Å; L213-F218 HydrophobicContact CD2-CD2 4.23Å; L213-F218 HydrophobicContact CD2-CE2 3.9Å; H216-F218 VanDerWaalsContact C-N 3.29Å; H216-F218 HydrophobicContact CB-CD2 4.06Å; H216-F218 HydrophobicContact CB-CE1 4.42Å; H216-F218 HydrophobicContact CB-CE2 3.66Å; H216-F218 HydrophobicContact CB-CZ 3.85Å; H216-F218 PolarHBondContact O-N 3.45Å; F218-T220 VanDerWaalsContact C-N 3.34Å; F218-T220 PolarHBondContact O-N 3.43Å; F218-A221 HydrophobicContact CB-CB 4.08Å; F218-A221 WeakPolarHBondContact O-CB 3.48Å; F218-A221 PolarHBondContact O-N 2.84Å
219L94.5Very high95.2Very high12 Ų1224.8 Ų24.86%0.06312%0.124CC..G310 helixtrans-63.5-42.8-177.9-59.4-175.2000111.6L111 I114 N115 L152 K155 D156 A221 K222L111-L219 HydrophobicContact CD2-CD1 3.63Å; I114-L219 HydrophobicContact CG2-CD1 4.11Å; I114-L219 HydrophobicContact CG2-CD2 3.8Å; N115-L219 HydrophobicContact CB-CD2 4.09Å; L152-L219 HydrophobicContact CD2-CB 4.24Å; L152-L219 HydrophobicContact CD2-CD1 4.07Å; K155-L219 HydrophobicContact CB-CD1 4.3Å; K155-L219 HydrophobicContact CG-CD1 4.2Å; D156-L219 PolarHBondContact OD1-N 3.11Å; D156-L219 PolarHBondContact OD2-N 2.85Å; L219-A221 PolarHBondContact O-N 2.93Å; L219-K222 WeakPolarHBondContact O-CB 3.47Å; L219-K222 WeakPolarHBondContact O-CG 3.45Å; L219-K222 PolarHBondContact O-N 3.27Å
220T95.1Very high95.2Very high1 Ų123.5 Ų23.51%0.00612%0.118CC..G310 helixtrans-77.20.2179.5640000113.8L152 D156 H199 V200 R201 F218L152-T220 HydrophobicContact CB-CG2 3.91Å; D156-T220 HydrophobicContact CB-CG2 4.43Å; D156-T220 VanDerWaalsContact OD2-CB 3.22Å; D156-T220 WeakPolarHBondContact OD2-CB 3.39Å; D156-T220 VanDerWaalsContact OD2-CG2 3.26Å; D156-T220 WeakPolarHBondContact OD2-CG2 3.45Å; D156-T220 PolarHBondContact OD2-N 2.82Å; D156-T220 PolarHBondContact OD2-OG1 3.49Å; H199-T220 HydrophobicContact CB-CG2 4.24Å; H199-T220 VanDerWaalsContact CD2-CG2 3.48Å; H199-T220 WeakPolarHBondContact CD2-CG2 3.44Å; H199-T220 VanDerWaalsContact CG-CB 3.47Å; V200-T220 WeakPolarHBondContact CG2-OG1 3.41Å; V200-T220 PolarHBondContact N-O 2.92Å; V200-T220 PolarHBondContact N-OG1 3.19Å; V200-T220 VanDerWaalsContact N-OG1 3.12Å; R201-T220 WeakPolarHBondContact CG-O 3.4Å; R201-T220 PolarHBondContact N-O 2.88Å; R201-T220 VanDerWaalsContact N-O 3.07Å; F218-T220 VanDerWaalsContact C-N 3.34Å; F218-T220 PolarHBondContact O-N 3.43Å
221A95.4Very high95.3Very high11 Ų1124.8 Ų24.89%0.09113%0.128CC..G310 helixtrans-86.3-17.5168.600000112.4I16 V200 F218 L219I16-A221 HydrophobicContact CD1-CB 3.72Å; I16-A221 HydrophobicContact CG1-CB 4.06Å; V200-A221 HydrophobicContact CB-CB 4.23Å; V200-A221 HydrophobicContact CG1-CB 4.05Å; F218-A221 HydrophobicContact CB-CB 4.08Å; F218-A221 WeakPolarHBondContact O-CB 3.48Å; F218-A221 PolarHBondContact O-N 2.84Å; L219-A221 PolarHBondContact O-N 2.93Å
222K95.2Very high95.4Very high12 Ų1221.1 Ų21.15%0.05211%0.111CC..SBendtrans-73.3137.4-176.1-57.3178.8-161.5-66.30110.4I114 C117 V120 L219I114-K222 VanDerWaalsContact O-CE 3.24Å; I114-K222 WeakPolarHBondContact O-CE 3.44Å; C117-K222 WeakPolarHBondContact O-CE 3.41Å; C117-K222 PolarHBondContact O-NZ 2.86Å; V120-K222 HydrophobicContact CG2-CB 4.36Å; V120-K222 HydrophobicContact CG2-CD 4.46Å; L219-K222 WeakPolarHBondContact O-CB 3.47Å; L219-K222 WeakPolarHBondContact O-CG 3.45Å; L219-K222 PolarHBondContact O-N 3.27Å
223P95.3Very high95.5Very high42 Ų4226.1 Ų26.127%0.27313%0.133SC..  trans-69.3146.6173.327.3-31.2000111.2D118 A119 V120 A301D118-P223 WeakPolarHBondContact O-CD 3.41Å; A119-P223 WeakPolarHBondContact CA-O 3.37Å; A119-P223 HydrophobicContact CB-CG 3.88Å; V120-P223 PolarHBondContact N-O 3.44Å; P223-A301 HydrophobicContact CG-CB 4.47Å; P223-A301 WeakPolarHBondContact CG-O 3.29Å
224I96.1Very high95.6Very high8 Ų827.8 Ų27.84%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-117.3137.1-177.7-53-172.1000110.4V120 E122 R201 Y226 S257V120-I224 HydrophobicContact CB-CG1 4.22Å; V120-I224 CarbonylContact O-C 3.58Å; V120-I224 WeakPolarHBondContact O-CA 3.33Å; E122-I224 HydrophobicContact CB-CG2 3.62Å; R201-I224 VanDerWaalsContact NH2-CD1 3.27Å; I224-Y226 HydrophobicContact CB-CE2 4.41Å; I224-Y226 HydrophobicContact CG2-CD1 4.27Å; I224-Y226 HydrophobicContact CG2-CD2 4.3Å; I224-Y226 HydrophobicContact CG2-CE1 3.96Å; I224-Y226 HydrophobicContact CG2-CE2 4.01Å; I224-Y226 HydrophobicContact CG2-CG 4.43Å; I224-S257 PolarHBondContact O-OG 3.44Å
225V97.9Very high95.8Very high4 Ų427.6 Ų27.62%0.02414%0.139CC..EExtended strand (participates in β ladder)trans-115.6119.6165.3175.80000107.6V120 F121 E122 L227 V260 C297 A301V120-V225 PolarHBondContact O-N 2.79Å; F121-V225 CarbonylContact C-O 3.59Å; F121-V225 WeakPolarHBondContact CA-O 3.27Å; F121-V225 HydrophobicContact CD1-CB 3.74Å; F121-V225 HydrophobicContact CD1-CG1 3.96Å; F121-V225 HydrophobicContact CE1-CB 3.91Å; F121-V225 HydrophobicContact CE1-CG1 3.92Å; F121-V225 HydrophobicContact CE1-CG2 4.39Å; E122-V225 PolarHBondContact N-O 2.98Å; V225-L227 HydrophobicContact CG1-CD2 4.06Å; V225-V260 HydrophobicContact CG1-CG2 4.25Å; V225-C297 HydrophobicContact CG1-CB 4.09Å; V225-C297 HydrophobicContact CG2-CB 4.44Å; V225-A301 HydrophobicContact CG2-CB 3.76Å
226Y98.3Very high95.9Very high2 Ų223.6 Ų23.61%0.00812%0.123CC..EExtended strand (participates in β ladder)trans-83.8124.6-178.7-66.3-81.4000110.6E122 I145 I224 I250 D254 T258 V260E122-Y226 HydrophobicContact CB-CD1 4Å; E122-Y226 HydrophobicContact CB-CE1 4.17Å; E122-Y226 HydrophobicContact CG-CD1 4.3Å; E122-Y226 HydrophobicContact CG-CE1 4.27Å; E122-Y226 CarbonylContact O-C 3.54Å; E122-Y226 WeakPolarHBondContact O-CA 3.09Å; E122-Y226 VanDerWaalsContact OE2-CE1 3.32Å; E122-Y226 WeakPolarHBondContact OE2-CE1 3.39Å; I145-Y226 HydrophobicContact CD1-CD1 4.27Å; I145-Y226 HydrophobicContact CD1-CE1 4.45Å; I145-Y226 HydrophobicContact CG1-CD1 4.46Å; I145-Y226 HydrophobicContact CG1-CE1 4.39Å; I145-Y226 HydrophobicContact CG2-CE1 3.81Å; I224-Y226 HydrophobicContact CB-CE2 4.41Å; I224-Y226 HydrophobicContact CG2-CD1 4.27Å; I224-Y226 HydrophobicContact CG2-CD2 4.3Å; I224-Y226 HydrophobicContact CG2-CE1 3.96Å; I224-Y226 HydrophobicContact CG2-CE2 4.01Å; I224-Y226 HydrophobicContact CG2-CG 4.43Å; Y226-I250 HydrophobicContact CD1-CD1 4.24Å; Y226-I250 HydrophobicContact CD1-CG1 4.49Å; Y226-I250 HydrophobicContact CD2-CD1 3.38Å; Y226-I250 HydrophobicContact CD2-CG1 3.69Å; Y226-I250 HydrophobicContact CD2-CG2 4.17Å; Y226-I250 HydrophobicContact CE2-CD1 4Å; Y226-I250 HydrophobicContact CE2-CG1 3.74Å; Y226-I250 HydrophobicContact CE2-CG2 4.04Å; Y226-I250 HydrophobicContact CG-CD1 3.52Å; Y226-I250 HydrophobicContact CG-CG1 4.08Å; Y226-D254 HydrophobicContact CE2-CB 4.27Å; Y226-D254 VanDerWaalsContact CE2-OD2 3.27Å; Y226-D254 WeakPolarHBondContact CE2-OD2 3.29Å; Y226-D254 PolarHBondContact OH-OD2 3.19Å; Y226-T258 PolarHBondContact N-O 3.46Å; Y226-V260 PolarHBondContact O-N 3.34Å
227L98.1Very high96Very high0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-108.2105.7176.4-54.6-174.1000108.8F38 F121 E122 M123 C124 V225 N229 V260 F262 I294F38-L227 HydrophobicContact CD1-CD1 4.45Å; F38-L227 HydrophobicContact CE1-CD1 3.81Å; F38-L227 HydrophobicContact CZ-CD1 3.9Å; F121-L227 HydrophobicContact CB-CD1 3.82Å; F121-L227 HydrophobicContact CB-CG 4.31Å; F121-L227 HydrophobicContact CD1-CD1 3.93Å; F121-L227 HydrophobicContact CD1-CD2 4.13Å; F121-L227 HydrophobicContact CD1-CG 4.1Å; F121-L227 HydrophobicContact CG-CD1 3.92Å; F121-L227 HydrophobicContact CG-CG 4.48Å; E122-L227 PolarHBondContact O-N 3.22Å; M123-L227 WeakPolarHBondContact CA-O 3.39Å; M123-L227 HydrophobicContact CE-CD1 4.39Å; C124-L227 PolarHBondContact N-O 3.2Å; V225-L227 HydrophobicContact CG1-CD2 4.06Å; L227-N229 PolarHBondContact O-N 3.28Å; L227-V260 HydrophobicContact CD2-CB 4Å; L227-V260 HydrophobicContact CD2-CG2 4.44Å; L227-F262 HydrophobicContact CB-CD1 4.09Å; L227-F262 HydrophobicContact CB-CE1 3.66Å; L227-I294 HydrophobicContact CD1-CG2 4.05Å; L227-I294 HydrophobicContact CD2-CD1 4.34Å; L227-I294 HydrophobicContact CD2-CG1 4.02Å; L227-I294 HydrophobicContact CD2-CG2 3.87Å
228A97.8Very high96.1Very high0 Ų034.6 Ų34.60%017%0.169CC..EExtended strand (participates in β ladder)trans-88101.5175.900000109.4I230 L243 I246 L259 V260 F262A228-I230 PolarHBondContact O-N 2.82Å; A228-L243 HydrophobicContact CB-CD2 3.68Å; A228-I246 HydrophobicContact CB-CD1 4.14Å; A228-L259 HydrophobicContact CB-CD1 3.95Å; A228-V260 PolarHBondContact N-O 3.28Å; A228-F262 WeakPolarHBondContact O-CD1 3.41Å; A228-F262 PolarHBondContact O-N 2.86Å; A228-F262 VanDerWaalsContact O-O 3.09Å
229N97.5Very high96.1Very high9 Ų942.2 Ų42.25%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-77.9112.9176.8-17012.7000109.1V33 M123 C124 A126 F127 L227 F262 G264V33-N229 PolarHBondContact O-ND2 2.82Å; M123-N229 HydrophobicContact CG-CB 4.37Å; C124-N229 PolarHBondContact O-N 3.19Å; A126-N229 CarbonylContact C-O 3.57Å; A126-N229 WeakPolarHBondContact CA-O 3.39Å; A126-N229 WeakPolarHBondContact CB-O 3.36Å; A126-N229 PolarHBondContact N-O 2.88Å; F127-N229 WeakPolarHBondContact CD1-O 3.45Å; L227-N229 PolarHBondContact O-N 3.28Å; N229-F262 WeakPolarHBondContact CA-O 3.33Å; N229-F262 HydrophobicContact CB-CD1 4.46Å; N229-F262 HydrophobicContact CB-CE1 3.62Å; N229-F262 HydrophobicContact CB-CZ 3.73Å; N229-G264 PolarHBondContact OD1-N 3.42Å
230I97.2Very high96.1Very high3 Ų342.6 Ų42.62%0.01520%0.204CC..  trans-117.7167.9-179.356.6173.2000110.7A126 A228 D234 Y235 N240 L243 P261 F262 S263A126-I230 HydrophobicContact CB-CG2 3.55Å; A228-I230 PolarHBondContact O-N 2.82Å; I230-D234 HydrophobicContact CB-CB 4.3Å; I230-D234 HydrophobicContact CD1-CB 4.15Å; I230-Y235 HydrophobicContact CD1-CD2 4.15Å; I230-Y235 HydrophobicContact CG1-CD2 4.49Å; I230-N240 HydrophobicContact CD1-CB 4.47Å; I230-N240 HydrophobicContact CG2-CB 4.05Å; I230-L243 HydrophobicContact CD1-CD1 4.49Å; I230-L243 HydrophobicContact CG2-CD2 4.46Å; I230-P261 HydrophobicContact CD1-CB 4.26Å; I230-F262 VanDerWaalsContact CG1-O 3.29Å; I230-F262 WeakPolarHBondContact CG1-O 3.39Å; I230-F262 PolarHBondContact N-O 2.93Å; I230-S263 WeakPolarHBondContact O-CA 3.27Å; I230-S263 VanDerWaalsContact O-CB 3.3Å; I230-S263 WeakPolarHBondContact O-CB 3.18Å; I230-S263 PolarHBondContact O-OG 2.94Å; I230-S263 VanDerWaalsContact O-OG 3.07Å
231S95.9Very high96.2Very high38 Ų3848.2 Ų48.227%0.26623%0.229SC..  trans-63.1156.4175.168.10000110.9E233 D234 Y235S231-E233 PolarHBondContact O-N 2.9Å; S231-D234 PolarHBondContact O-N 3.03Å; S231-D234 WeakPolarHBondContact OG-CB 3.3Å; S231-D234 PolarHBondContact OG-N 3.23Å; S231-D234 VanDerWaalsContact OG-N 3.15Å; S231-Y235 WeakPolarHBondContact O-CB 3.5Å; S231-Y235 PolarHBondContact O-N 3.03Å
232E95.3Very high96.3Very high45 Ų4548.8 Ų48.821%0.2123%0.228CC..Hα-helixtrans-58.3-41.3175.6176.5171.8173.300111Y235 I236 S263 L266 Y281E232-Y235 PolarHBondContact O-N 3.02Å; E232-I236 HydrophobicContact CG-CD1 3.7Å; E232-I236 HydrophobicContact CG-CG1 4.45Å; E232-I236 VanDerWaalsContact O-CG1 3.29Å; E232-I236 WeakPolarHBondContact O-CG1 3.39Å; E232-I236 PolarHBondContact O-N 2.93Å; E232-S263 WeakPolarHBondContact CA-OG 3.5Å; E232-S263 PolarHBondContact N-OG 2.91Å; E232-L266 HydrophobicContact CB-CB 4.47Å; E232-L266 HydrophobicContact CG-CB 4.14Å; E232-L266 HydrophobicContact CG-CD1 4.29Å; E232-Y281 PolarHBondContact OE1-OH 2.87Å
233E95.4Very high96.3Very high112 Ų11249.8 Ų49.852%0.52323%0.234SC..Hα-helixtrans-59.8-49.4177.4-175.8-177.8174.200112.4S231 Y235 I236 K237S231-E233 PolarHBondContact O-N 2.9Å; E233-Y235 VanDerWaalsContact C-N 3.29Å; E233-Y235 PolarHBondContact O-N 2.84Å; E233-I236 PolarHBondContact O-N 2.96Å; E233-K237 HydrophobicContact CG-CD 3.96Å; E233-K237 WeakPolarHBondContact O-CB 3.45Å; E233-K237 VanDerWaalsContact O-CG 3.31Å; E233-K237 WeakPolarHBondContact O-CG 3.46Å; E233-K237 PolarHBondContact O-N 3.28Å; E233-K237 WeakPolarHBondContact OE1-CE 3.43Å; E233-K237 IonicContact OE1-NZ 2.84Å; E233-K237 PolarHBondContact OE1-NZ 3.15Å
234D96.5Very high96.4Very high41 Ų4150.4 Ų50.422%0.21925%0.248CC..Hα-helixtrans-65.6-35.4179.9-83.10.7000111.9I230 S231 K238 K239 N240I230-D234 HydrophobicContact CB-CB 4.3Å; I230-D234 HydrophobicContact CD1-CB 4.15Å; S231-D234 PolarHBondContact O-N 3.03Å; S231-D234 WeakPolarHBondContact OG-CB 3.3Å; S231-D234 PolarHBondContact OG-N 3.23Å; S231-D234 VanDerWaalsContact OG-N 3.15Å; D234-K238 WeakPolarHBondContact O-CA 3.2Å; D234-K238 PolarHBondContact O-N 2.91Å; D234-K239 WeakPolarHBondContact CA-O 3.42Å; D234-K239 VanDerWaalsContact CB-O 3.27Å; D234-K239 WeakPolarHBondContact CB-O 3.39Å; D234-K239 PolarHBondContact O-N 3.03Å; D234-N240 HydrophobicContact CB-CB 4.07Å; D234-N240 PolarHBondContact OD2-ND2 3.48Å
235Y96.8Very high96.4Very high28 Ų2855.7 Ų55.711%0.1127%0.271CS..Hα-helixtrans-66.2-48176.3-176.5-102000111.5I230 S231 E232 E233 K238 P261 L266 S287 S288 A290I230-Y235 HydrophobicContact CD1-CD2 4.15Å; I230-Y235 HydrophobicContact CG1-CD2 4.49Å; S231-Y235 WeakPolarHBondContact O-CB 3.5Å; S231-Y235 PolarHBondContact O-N 3.03Å; E232-Y235 PolarHBondContact O-N 3.02Å; E233-Y235 VanDerWaalsContact C-N 3.29Å; E233-Y235 PolarHBondContact O-N 2.84Å; Y235-K238 PolarHBondContact O-N 2.95Å; Y235-K238 VanDerWaalsContact O-N 3.15Å; Y235-P261 WeakPolarHBondContact CE2-O 3.45Å; Y235-L266 HydrophobicContact CD1-CD2 3.42Å; Y235-L266 VanDerWaalsContact CD1-CD2 3.42Å; Y235-L266 HydrophobicContact CE1-CD2 3.52Å; Y235-S287 WeakPolarHBondContact CE1-OG 3.31Å; Y235-S288 VanDerWaalsContact CE1-O 3.31Å; Y235-S288 WeakPolarHBondContact CE1-O 3.32Å; Y235-S288 PolarHBondContact OH-O 3.01Å; Y235-A290 HydrophobicContact CE2-CB 4.28Å; Y235-A290 WeakPolarHBondContact OH-CB 3.4Å; Y235-A290 PolarHBondContact OH-N 3.32Å
236I95.4Very high96.4Very high49 Ų4955.5 Ų55.525%0.25127%0.27SS..Hα-helixtrans-61.9-44.5176.5-68.2166.1000110.7E232 E233 K238 V285E232-I236 HydrophobicContact CG-CD1 3.7Å; E232-I236 HydrophobicContact CG-CG1 4.45Å; E232-I236 VanDerWaalsContact O-CG1 3.29Å; E232-I236 WeakPolarHBondContact O-CG1 3.39Å; E232-I236 PolarHBondContact O-N 2.93Å; E233-I236 PolarHBondContact O-N 2.96Å; I236-K238 PolarHBondContact O-N 3.39Å; I236-V285 HydrophobicContact CD1-CB 4Å; I236-V285 HydrophobicContact CD1-CG1 4.14Å; I236-V285 HydrophobicContact CD1-CG2 4.31Å; I236-V285 HydrophobicContact CG1-CB 4.35Å; I236-V285 HydrophobicContact CG1-CG2 4.41Å; I236-V285 HydrophobicContact CG2-CB 4.35Å
237K95.1Very high96.3Very high135 Ų13559.6 Ų59.659%0.58729%0.288SS*.THydrogen-bonded Turntrans-73.2-8.8177.9-69178.4-178.41800113.8E233 K239E233-K237 HydrophobicContact CG-CD 3.96Å; E233-K237 WeakPolarHBondContact O-CB 3.45Å; E233-K237 VanDerWaalsContact O-CG 3.31Å; E233-K237 WeakPolarHBondContact O-CG 3.46Å; E233-K237 PolarHBondContact O-N 3.28Å; E233-K237 WeakPolarHBondContact OE1-CE 3.43Å; E233-K237 IonicContact OE1-NZ 2.84Å; E233-K237 PolarHBondContact OE1-NZ 3.15Å; K237-K239 PolarHBondContact O-N 3.33Å
238K94.1Very high96.3Very high171 Ų17162.3 Ų62.374%0.74331%0.31SS*.THydrogen-bonded Turntrans52.735.2-174.9-59.4176.6-178.2171.50112.7D234 Y235 I236D234-K238 WeakPolarHBondContact O-CA 3.2Å; D234-K238 PolarHBondContact O-N 2.91Å; Y235-K238 PolarHBondContact O-N 2.95Å; Y235-K238 VanDerWaalsContact O-N 3.15Å; I236-K238 PolarHBondContact O-N 3.39Å
239K94.5Very high96.2Very high163 Ų16364.1 Ų64.171%0.70932%0.317SS*.  trans-144.4124.7-176-174.4179.1-180-178.60109.8D234 K237D234-K239 WeakPolarHBondContact CA-O 3.42Å; D234-K239 VanDerWaalsContact CB-O 3.27Å; D234-K239 WeakPolarHBondContact CB-O 3.39Å; D234-K239 PolarHBondContact O-N 3.03Å; K237-K239 PolarHBondContact O-N 3.33Å
240N96.5Very high96.1Very high20 Ų2063.7 Ų63.711%0.10732%0.315CS..  trans-148.1143.3175.2169.5-88.3000109.3A126 I230 D234 W242 L243A126-N240 PolarHBondContact O-ND2 3.42Å; I230-N240 HydrophobicContact CD1-CB 4.47Å; I230-N240 HydrophobicContact CG2-CB 4.05Å; D234-N240 HydrophobicContact CB-CB 4.07Å; D234-N240 PolarHBondContact OD2-ND2 3.48Å; N240-W242 PolarHBondContact O-N 3.43Å; N240-W242 WeakPolarHBondContact OD1-CA 3.42Å; N240-W242 VanDerWaalsContact OD1-CB 3.29Å; N240-W242 WeakPolarHBondContact OD1-CB 3.23Å; N240-W242 PolarHBondContact OD1-N 3.16Å; N240-L243 HydrophobicContact CB-CD1 3.87Å; N240-L243 HydrophobicContact CB-CG 3.87Å; N240-L243 PolarHBondContact OD1-N 3.4Å
241K96Very high96Very high120 Ų12067.5 Ų67.552%0.52234%0.335SS..THydrogen-bonded Turntrans-68-19.8-174.469.5-172.1-176.7-172.50114.3E128E128-K241 IonicContact OE1-NZ 2.87Å; E128-K241 PolarHBondContact OE1-NZ 2.72Å; E128-K241 IonicContact OE2-NZ 2.85Å; E128-K241 PolarHBondContact OE2-NZ 2.67Å
242W97Very high95.9Very high23 Ų2373.1 Ų73.19%0.08736%0.357CS..THydrogen-bonded Turntrans-95.4-28.6-176.4-63.2111.5000113.9A126 V139 N140 P141 N240 G244 K245 I246A126-W242 HydrophobicContact CB-CB 4Å; A126-W242 HydrophobicContact CB-CG 4.36Å; V139-W242 VanDerWaalsContact O-CH2 3.32Å; V139-W242 WeakPolarHBondContact O-CH2 3.47Å; V139-W242 WeakPolarHBondContact O-CZ2 3.27Å; N140-W242 HydrophobicContact CB-CH2 4.31Å; P141-W242 HydrophobicContact CG-CB 3.76Å; P141-W242 HydrophobicContact CG-CD2 3.69Å; P141-W242 HydrophobicContact CG-CE3 3.74Å; P141-W242 HydrophobicContact CG-CG 3.71Å; N240-W242 PolarHBondContact O-N 3.43Å; N240-W242 WeakPolarHBondContact OD1-CA 3.42Å; N240-W242 VanDerWaalsContact OD1-CB 3.29Å; N240-W242 WeakPolarHBondContact OD1-CB 3.23Å; N240-W242 PolarHBondContact OD1-N 3.16Å; W242-G244 VanDerWaalsContact C-N 3.3Å; W242-G244 PolarHBondContact O-N 2.99Å; W242-K245 HydrophobicContact CE3-CD 3.93Å; W242-K245 HydrophobicContact CZ3-CD 4.06Å; W242-K245 WeakPolarHBondContact O-CA 3.43Å; W242-K245 WeakPolarHBondContact O-CB 3.48Å; W242-K245 PolarHBondContact O-N 3.16Å; W242-I246 HydrophobicContact CB-CD1 3.94Å; W242-I246 HydrophobicContact CB-CG1 4.45Å; W242-I246 WeakPolarHBondContact O-CG1 3.34Å; W242-I246 PolarHBondContact O-N 2.91Å
243L96.6Very high95.7Very high33 Ų3373.3 Ų73.317%0.17336%0.359CS..Hα-helixtrans-54.6-42.5-173.4-68.9176.9000113.6A228 I230 N240 I246 K247 P261A228-L243 HydrophobicContact CB-CD2 3.68Å; I230-L243 HydrophobicContact CD1-CD1 4.49Å; I230-L243 HydrophobicContact CG2-CD2 4.46Å; N240-L243 HydrophobicContact CB-CD1 3.87Å; N240-L243 HydrophobicContact CB-CG 3.87Å; N240-L243 PolarHBondContact OD1-N 3.4Å; L243-I246 PolarHBondContact O-N 2.62Å; L243-K247 WeakPolarHBondContact O-CB 3.5Å; L243-K247 PolarHBondContact O-N 3.08Å; L243-P261 HydrophobicContact CD1-CB 4.12Å; L243-P261 HydrophobicContact CD2-CB 3.89Å
244G96.2Very high95.5Very high55 Ų5568.1 Ų68.157%0.56734%0.335SS*.Hα-helixtrans-64-39.7176.700000112.9W242 A248W242-G244 VanDerWaalsContact C-N 3.3Å; W242-G244 PolarHBondContact O-N 2.99Å; G244-A248 WeakPolarHBondContact O-CB 3.31Å; G244-A248 PolarHBondContact O-N 3.2Å
245K97.3Very high95.1Very high119 Ų11970.2 Ų70.252%0.51735%0.351SS..Hα-helixtrans-70.1-42.2178.4-59.8-177.2-179.4179.50111.7V142 W242 A248 Y249V142-K245 HydrophobicContact CG2-CB 3.87Å; W242-K245 HydrophobicContact CE3-CD 3.93Å; W242-K245 HydrophobicContact CZ3-CD 4.06Å; W242-K245 WeakPolarHBondContact O-CA 3.43Å; W242-K245 WeakPolarHBondContact O-CB 3.48Å; W242-K245 PolarHBondContact O-N 3.16Å; K245-A248 PolarHBondContact O-N 2.84Å; K245-Y249 PolarHBondContact O-N 3.48Å
246I97.2Very high94.5Very high0 Ų072.5 Ų72.50%038%0.383CS..Hα-helixtrans-61.8-46.8175.6-64.5163.6000109.7A126 P141 V142 I145 A228 W242 L243 A248 Y249 I250 L259A126-I246 HydrophobicContact CB-CD1 4.22Å; P141-I246 HydrophobicContact CB-CD1 3.86Å; P141-I246 HydrophobicContact CB-CG1 4.03Å; P141-I246 HydrophobicContact CG-CD1 3.8Å; P141-I246 HydrophobicContact CG-CG1 3.98Å; V142-I246 HydrophobicContact CG2-CG1 4.49Å; I145-I246 HydrophobicContact CD1-CG2 3.91Å; A228-I246 HydrophobicContact CB-CD1 4.14Å; W242-I246 HydrophobicContact CB-CD1 3.94Å; W242-I246 HydrophobicContact CB-CG1 4.45Å; W242-I246 WeakPolarHBondContact O-CG1 3.34Å; W242-I246 PolarHBondContact O-N 2.91Å; L243-I246 PolarHBondContact O-N 2.62Å; I246-A248 PolarHBondContact O-N 3.08Å; I246-Y249 PolarHBondContact O-N 3.24Å; I246-I250 HydrophobicContact CG2-CD1 3.7Å; I246-I250 HydrophobicContact CG2-CG1 4.4Å; I246-I250 VanDerWaalsContact O-CG1 3.31Å; I246-I250 WeakPolarHBondContact O-CG1 3.44Å; I246-I250 PolarHBondContact O-N 3.11Å; I246-L259 HydrophobicContact CB-CD2 4.49Å; I246-L259 HydrophobicContact CG2-CD1 3.78Å; I246-L259 HydrophobicContact CG2-CD2 4.05Å
247K96.7Very high94.3Very high88 Ų8871.1 Ų71.138%0.38338%0.378SS..Hα-helixtrans-60.3-45.2178.8-174.962.8170.3840112.1L243 Y249 I250 D251 L259L243-K247 WeakPolarHBondContact O-CB 3.5Å; L243-K247 PolarHBondContact O-N 3.08Å; K247-Y249 PolarHBondContact O-N 3Å; K247-I250 PolarHBondContact O-N 2.67Å; K247-D251 IonicContact NZ-OD1 2.74Å; K247-D251 PolarHBondContact NZ-OD1 3.26Å; K247-D251 IonicContact NZ-OD2 2.63Å; K247-D251 PolarHBondContact NZ-OD2 3.04Å; K247-D251 PolarHBondContact O-N 3.01Å; K247-L259 HydrophobicContact CB-CD2 4.06Å; K247-L259 HydrophobicContact CD-CD2 4.25Å
248A96.8Very high94.3Very high57 Ų5767.6 Ų67.647%0.47137%0.368SS..Hα-helixtrans-60.4-44.4177.300000111.9G244 K245 I246 I250 D251 E252G244-A248 WeakPolarHBondContact O-CB 3.31Å; G244-A248 PolarHBondContact O-N 3.2Å; K245-A248 PolarHBondContact O-N 2.84Å; I246-A248 PolarHBondContact O-N 3.08Å; A248-I250 PolarHBondContact O-N 3.02Å; A248-D251 PolarHBondContact O-N 3.32Å; A248-E252 PolarHBondContact O-N 3.45Å; A248-E252 VanDerWaalsContact O-N 3.15Å
249Y96.5Very high94.5Very high38 Ų3860.9 Ų60.915%0.14934%0.34CS..Hα-helixtrans-60.3-44.6175.7-178.2-84.2000112.2V142 I145 G146 K245 I246 K247 E252 N253V142-Y249 HydrophobicContact CG1-CD2 3.51Å; V142-Y249 HydrophobicContact CG1-CE2 4.23Å; V142-Y249 HydrophobicContact CG1-CG 3.97Å; I145-Y249 HydrophobicContact CB-CD1 4.5Å; I145-Y249 HydrophobicContact CB-CE1 4.23Å; I145-Y249 HydrophobicContact CG2-CD1 3.81Å; I145-Y249 HydrophobicContact CG2-CE1 3.36Å; G146-Y249 WeakPolarHBondContact CA-OH 3.46Å; K245-Y249 PolarHBondContact O-N 3.48Å; I246-Y249 PolarHBondContact O-N 3.24Å; K247-Y249 PolarHBondContact O-N 3Å; Y249-E252 PolarHBondContact O-N 2.86Å; Y249-N253 HydrophobicContact CD1-CB 4.43Å; Y249-N253 HydrophobicContact CE1-CB 3.97Å; Y249-N253 WeakPolarHBondContact O-CB 3.42Å; Y249-N253 PolarHBondContact O-N 3.36Å; Y249-N253 PolarHBondContact O-ND2 3.29Å
250I95.7Very high94.6Very high0 Ų053.2 Ų53.20%031%0.307CS..Hα-helixtrans-63.4-44178.2-67.1165.5000110.6Y226 I246 K247 A248 E252 N253 D254 L259Y226-I250 HydrophobicContact CD1-CD1 4.24Å; Y226-I250 HydrophobicContact CD1-CG1 4.49Å; Y226-I250 HydrophobicContact CD2-CD1 3.38Å; Y226-I250 HydrophobicContact CD2-CG1 3.69Å; Y226-I250 HydrophobicContact CD2-CG2 4.17Å; Y226-I250 HydrophobicContact CE2-CD1 4Å; Y226-I250 HydrophobicContact CE2-CG1 3.74Å; Y226-I250 HydrophobicContact CE2-CG2 4.04Å; Y226-I250 HydrophobicContact CG-CD1 3.52Å; Y226-I250 HydrophobicContact CG-CG1 4.08Å; I246-I250 HydrophobicContact CG2-CD1 3.7Å; I246-I250 HydrophobicContact CG2-CG1 4.4Å; I246-I250 VanDerWaalsContact O-CG1 3.31Å; I246-I250 WeakPolarHBondContact O-CG1 3.44Å; I246-I250 PolarHBondContact O-N 3.11Å; K247-I250 PolarHBondContact O-N 2.67Å; A248-I250 PolarHBondContact O-N 3.02Å; I250-E252 PolarHBondContact O-N 2.9Å; I250-N253 PolarHBondContact O-N 2.78Å; I250-D254 HydrophobicContact CG2-CB 4.45Å; I250-D254 CarbonylContact O-C 3.55Å; I250-D254 VanDerWaalsContact O-CA 3.27Å; I250-D254 WeakPolarHBondContact O-CA 3.35Å; I250-D254 PolarHBondContact O-N 3.07Å; I250-D254 VanDerWaalsContact O-O 3.12Å; I250-L259 HydrophobicContact CD1-CB 4.01Å; I250-L259 HydrophobicContact CD1-CD1 4.04Å; I250-L259 HydrophobicContact CD1-CD2 4.38Å; I250-L259 HydrophobicContact CD1-CG 4.36Å
251D94.1Very high94.7Very high82 Ų8254.3 Ų54.344%0.43932%0.315SS..Hα-helixtrans-63.7-32.2-179.4-73.2-25.8000113.1K247 A248K247-D251 IonicContact NZ-OD1 2.74Å; K247-D251 PolarHBondContact NZ-OD1 3.26Å; K247-D251 IonicContact NZ-OD2 2.63Å; K247-D251 PolarHBondContact NZ-OD2 3.04Å; K247-D251 PolarHBondContact O-N 3.01Å; A248-D251 PolarHBondContact O-N 3.32Å
252E93.5Very high94.8Very high157 Ų15748.6 Ų48.673%0.73429%0.29SS*.Hα-helixtrans-78.9-43.6177-175.8176.7-166.400112.7A248 Y249 I250A248-E252 PolarHBondContact O-N 3.45Å; A248-E252 VanDerWaalsContact O-N 3.15Å; Y249-E252 PolarHBondContact O-N 2.86Å; I250-E252 PolarHBondContact O-N 2.9Å
253N91.7Very high94.8Very high48 Ų4847.5 Ų47.526%0.25729%0.286SS..Hα-helixtrans-105.2-22.5-167.6-64.1-83.6000114.4F202 Y249 I250F202-N253 VanDerWaalsContact CE2-O 3.27Å; F202-N253 WeakPolarHBondContact CE2-O 3.31Å; F202-N253 WeakPolarHBondContact CZ-O 3.45Å; Y249-N253 HydrophobicContact CD1-CB 4.43Å; Y249-N253 HydrophobicContact CE1-CB 3.97Å; Y249-N253 WeakPolarHBondContact O-CB 3.42Å; Y249-N253 PolarHBondContact O-N 3.36Å; Y249-N253 PolarHBondContact O-ND2 3.29Å; I250-N253 PolarHBondContact O-N 2.78Å
254D91.7Very high94.6Very high4 Ų446 Ų462%0.02128%0.279CS..SBendtrans-143.662.1-178.6-171.613.9000112.1R201 F202 Y226 I250 G256 S257R201-D254 IonicContact CZ-OD1 2.57Å; R201-D254 IonicContact CZ-OD2 2.75Å; R201-D254 IonicContact NE-OD1 3.36Å; R201-D254 IonicContact NH1-OD1 3.58Å; R201-D254 PolarHBondContact NH1-OD1 2.88Å; R201-D254 IonicContact NH1-OD2 3.1Å; R201-D254 PolarHBondContact NH1-OD2 3.21Å; R201-D254 IonicContact NH2-OD1 2.61Å; R201-D254 PolarHBondContact NH2-OD1 3.44Å; R201-D254 IonicContact NH2-OD2 3.76Å; R201-D254 PolarHBondContact NH2-OD2 2.96Å; F202-D254 HydrophobicContact CE1-CB 4.45Å; F202-D254 WeakPolarHBondContact CE1-OD1 3.34Å; F202-D254 HydrophobicContact CZ-CB 3.82Å; F202-D254 WeakPolarHBondContact CZ-OD1 3.5Å; Y226-D254 HydrophobicContact CE2-CB 4.27Å; Y226-D254 VanDerWaalsContact CE2-OD2 3.27Å; Y226-D254 WeakPolarHBondContact CE2-OD2 3.29Å; Y226-D254 PolarHBondContact OH-OD2 3.19Å; I250-D254 HydrophobicContact CG2-CB 4.45Å; I250-D254 CarbonylContact O-C 3.55Å; I250-D254 VanDerWaalsContact O-CA 3.27Å; I250-D254 WeakPolarHBondContact O-CA 3.35Å; I250-D254 PolarHBondContact O-N 3.07Å; I250-D254 VanDerWaalsContact O-O 3.12Å; D254-G256 PolarHBondContact O-N 3.43Å; D254-S257 WeakPolarHBondContact O-CB 3.48Å; D254-S257 PolarHBondContact O-N 2.99Å; D254-S257 PolarHBondContact OD1-OG 3.35Å; D254-S257 WeakPolarHBondContact OD2-CB 3.32Å; D254-S257 PolarHBondContact OD2-OG 3.13Å
255P87.2Confident94.5Very high84 Ų8446.3 Ų46.355%0.54528%0.276SS..THydrogen-bonded Turntrans-61.2129.4-173.425.2-34.7000111.2
256G84Confident94.4Very high76 Ų7640.6 Ų40.678%0.78425%0.251SS*.THydrogen-bonded Turntrans95.4-9.9179.900000114.8D254D254-G256 PolarHBondContact O-N 3.43Å
257S92.3Very high94.3Very high21 Ų2140.8 Ų40.815%0.14725%0.252CS..PPolyproline II helixtrans-68.2148.9173.4-80.80000113R201 I224 D254R201-S257 PolarHBondContact NH1-OG 3.42Å; I224-S257 PolarHBondContact O-OG 3.44Å; D254-S257 WeakPolarHBondContact O-CB 3.48Å; D254-S257 PolarHBondContact O-N 2.99Å; D254-S257 PolarHBondContact OD1-OG 3.35Å; D254-S257 WeakPolarHBondContact OD2-CB 3.32Å; D254-S257 PolarHBondContact OD2-OG 3.13Å
258T95.5Very high94.1Very high60 Ų6038.1 Ų38.137%0.36825%0.246SC..EExtended strand (participates in β ladder)trans-90128.7-176.8-58.50000110.4Y226 V260Y226-T258 PolarHBondContact N-O 3.46Å; T258-V260 HydrophobicContact CG2-CG2 3.86Å
259L97.6Very high94Very high31 Ų3139.5 Ų39.516%0.16224%0.241CC..EExtended strand (participates in β ladder)trans-100.6124.6167.6177.762.2000109.7A228 I246 K247 I250A228-L259 HydrophobicContact CB-CD1 3.95Å; I246-L259 HydrophobicContact CB-CD2 4.49Å; I246-L259 HydrophobicContact CG2-CD1 3.78Å; I246-L259 HydrophobicContact CG2-CD2 4.05Å; K247-L259 HydrophobicContact CB-CD2 4.06Å; K247-L259 HydrophobicContact CD-CD2 4.25Å; I250-L259 HydrophobicContact CD1-CB 4.01Å; I250-L259 HydrophobicContact CD1-CD1 4.04Å; I250-L259 HydrophobicContact CD1-CD2 4.38Å; I250-L259 HydrophobicContact CD1-CG 4.36Å
260V97.6Very high93.8Very high1 Ų138 Ų381%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-118.8107.7174.5-170.60000109.3V225 Y226 L227 A228 T258 K293 I294V225-V260 HydrophobicContact CG1-CG2 4.25Å; Y226-V260 PolarHBondContact O-N 3.34Å; L227-V260 HydrophobicContact CD2-CB 4Å; L227-V260 HydrophobicContact CD2-CG2 4.44Å; A228-V260 PolarHBondContact N-O 3.28Å; T258-V260 HydrophobicContact CG2-CG2 3.86Å; V260-K293 HydrophobicContact CG1-CD 4.22Å; V260-K293 HydrophobicContact CG1-CG 4.48Å; V260-I294 HydrophobicContact CB-CG1 4.35Å; V260-I294 HydrophobicContact CG1-CD1 4.47Å; V260-I294 HydrophobicContact CG1-CG1 3.73Å
261P97.6Very high93.5Very high43 Ų4339.8 Ų39.828%0.27925%0.246SC..EExtended strand (participates in β ladder)trans-69.8138.1166.529.1-32.2000109.6I230 Y235 L243I230-P261 HydrophobicContact CD1-CB 4.26Å; Y235-P261 WeakPolarHBondContact CE2-O 3.45Å; L243-P261 HydrophobicContact CD1-CB 4.12Å; L243-P261 HydrophobicContact CD2-CB 3.89Å
262F97.5Very high93.2Very high0 Ų041.2 Ų41.20%025%0.254CS..EExtended strand (participates in β ladder)trans-153.3164.8174.581.5-67.6000110.2F38 M123 L227 A228 N229 I230 E267 A290 I294F38-F262 HydrophobicContact CB-CE2 4.48Å; F38-F262 HydrophobicContact CD2-CD2 4.4Å; F38-F262 AromaticContact CD2-CE2 3.72Å; F38-F262 HydrophobicContact CD2-CE2 3.72Å; F38-F262 HydrophobicContact CD2-CZ 4.26Å; F38-F262 HydrophobicContact CE2-CE2 4.36Å; F38-F262 HydrophobicContact CG-CE2 4.32Å; M123-F262 HydrophobicContact CE-CE1 4.36Å; M123-F262 HydrophobicContact CE-CZ 3.69Å; M123-F262 HydrophobicContact CG-CZ 4.5Å; M123-F262 HydrophobicContact SD-CZ 4.09Å; L227-F262 HydrophobicContact CB-CD1 4.09Å; L227-F262 HydrophobicContact CB-CE1 3.66Å; A228-F262 WeakPolarHBondContact O-CD1 3.41Å; A228-F262 PolarHBondContact O-N 2.86Å; A228-F262 VanDerWaalsContact O-O 3.09Å; N229-F262 WeakPolarHBondContact CA-O 3.33Å; N229-F262 HydrophobicContact CB-CD1 4.46Å; N229-F262 HydrophobicContact CB-CE1 3.62Å; N229-F262 HydrophobicContact CB-CZ 3.73Å; I230-F262 VanDerWaalsContact CG1-O 3.29Å; I230-F262 WeakPolarHBondContact CG1-O 3.39Å; I230-F262 PolarHBondContact N-O 2.93Å; F262-E267 HydrophobicContact CD2-CG 4.48Å; F262-A290 HydrophobicContact CB-CB 3.65Å; F262-I294 HydrophobicContact CB-CD1 3.93Å; F262-I294 HydrophobicContact CD1-CD1 4.43Å; F262-I294 HydrophobicContact CD2-CD1 4.15Å; F262-I294 HydrophobicContact CG-CD1 3.91Å
263S96.7Very high93.1Very high0 Ų035.3 Ų35.30%023%0.227CC..  trans-117.5112.6170.8179.40000110.2I230 E232 A265 L266 E267I230-S263 WeakPolarHBondContact O-CA 3.27Å; I230-S263 VanDerWaalsContact O-CB 3.3Å; I230-S263 WeakPolarHBondContact O-CB 3.18Å; I230-S263 PolarHBondContact O-OG 2.94Å; I230-S263 VanDerWaalsContact O-OG 3.07Å; E232-S263 WeakPolarHBondContact CA-OG 3.5Å; E232-S263 PolarHBondContact N-OG 2.91Å; S263-A265 PolarHBondContact O-N 3.49Å; S263-L266 PolarHBondContact O-N 2.81Å; S263-L266 PolarHBondContact OG-N 3.42Å; S263-E267 WeakPolarHBondContact O-CG 3.5Å; S263-E267 PolarHBondContact O-N 3.42Å
264G94.2Very high93Very high2 Ų237.6 Ų37.62%0.02124%0.239CC..Hα-helixtrans-59.7-31.9174.700000112.5N229 A268N229-G264 PolarHBondContact OD1-N 3.42Å; G264-A268 WeakPolarHBondContact O-CB 3.39Å; G264-A268 PolarHBondContact O-N 2.82Å
265A93.5Very high92.9Very high61 Ų6143 Ų4350%0.50427%0.272SS..Hα-helixtrans-66.6-47175.200000111.7S263 A268 K269S263-A265 PolarHBondContact O-N 3.49Å; A265-A268 PolarHBondContact O-N 3.41Å; A265-K269 PolarHBondContact O-N 3.42Å
266L94.9Very high93.1Very high0 Ų045.3 Ų45.30%028%0.276CS..Hα-helixtrans-60.3-51.2175.3178.161.4000111E232 Y235 S263 A268 K269 L270 Y281E232-L266 HydrophobicContact CB-CB 4.47Å; E232-L266 HydrophobicContact CG-CB 4.14Å; E232-L266 HydrophobicContact CG-CD1 4.29Å; Y235-L266 HydrophobicContact CD1-CD2 3.42Å; Y235-L266 VanDerWaalsContact CD1-CD2 3.42Å; Y235-L266 HydrophobicContact CE1-CD2 3.52Å; S263-L266 PolarHBondContact O-N 2.81Å; S263-L266 PolarHBondContact OG-N 3.42Å; L266-A268 VanDerWaalsContact C-N 3.29Å; L266-A268 PolarHBondContact O-N 3.16Å; L266-K269 WeakPolarHBondContact O-CB 3.48Å; L266-K269 PolarHBondContact O-N 2.86Å; L266-L270 HydrophobicContact CD1-CD1 4.22Å; L266-L270 HydrophobicContact CD1-CD2 4.25Å; L266-L270 HydrophobicContact CD1-CG 4.08Å; L266-L270 HydrophobicContact CG-CD1 4.02Å; L266-L270 HydrophobicContact CG-CG 4.26Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.48Å; L266-L270 PolarHBondContact O-N 3.28Å; L266-Y281 HydrophobicContact CD1-CD1 4.45Å; L266-Y281 HydrophobicContact CD1-CE1 3.67Å
267E95.5Very high93.6Very high4 Ų446.1 Ų46.12%0.01926%0.259CS..Hα-helixtrans-63.7-35.5-177.7-59.3-64.6170.800112.4V41 F262 S263 K269 L270 V271 S289 A290 L291V41-E267 HydrophobicContact CG1-CB 3.88Å; V41-E267 HydrophobicContact CG2-CB 4.22Å; F262-E267 HydrophobicContact CD2-CG 4.48Å; S263-E267 WeakPolarHBondContact O-CG 3.5Å; S263-E267 PolarHBondContact O-N 3.42Å; E267-K269 VanDerWaalsContact C-N 3.32Å; E267-K269 PolarHBondContact O-N 3.46Å; E267-L270 PolarHBondContact O-N 3.26Å; E267-V271 PolarHBondContact O-N 2.65Å; E267-S289 VanDerWaalsContact CD-OG 3.23Å; E267-S289 WeakPolarHBondContact OE1-CA 3.46Å; E267-S289 PolarHBondContact OE1-OG 3.07Å; E267-S289 VanDerWaalsContact OE1-OG 3.08Å; E267-S289 WeakPolarHBondContact OE2-CB 3.44Å; E267-S289 PolarHBondContact OE2-OG 2.89Å; E267-A290 PolarHBondContact OE1-N 3.29Å; E267-L291 PolarHBondContact OE1-N 3.22Å
268A93Very high93.6Very high31 Ų3150.2 Ų50.226%0.25627%0.271SS..Hα-helixtrans-66.1-32.3173.200000112.9T37 V41 G264 A265 L266 V271T37-A268 HydrophobicContact CG2-CB 3.97Å; V41-A268 HydrophobicContact CG2-CB 4.09Å; G264-A268 WeakPolarHBondContact O-CB 3.39Å; G264-A268 PolarHBondContact O-N 2.82Å; A265-A268 PolarHBondContact O-N 3.41Å; L266-A268 VanDerWaalsContact C-N 3.29Å; L266-A268 PolarHBondContact O-N 3.16Å; A268-V271 WeakPolarHBondContact O-CG1 3.39Å
269K93.1Very high93.4Very high86 Ų8650.3 Ų50.337%0.37427%0.272SS..Hα-helixtrans-70.5-44.2172-178.6178.6-178.1175.70111.6A265 L266 E267 V271 D272 M273 Y281A265-K269 PolarHBondContact O-N 3.42Å; L266-K269 WeakPolarHBondContact O-CB 3.48Å; L266-K269 PolarHBondContact O-N 2.86Å; E267-K269 VanDerWaalsContact C-N 3.32Å; E267-K269 PolarHBondContact O-N 3.46Å; K269-V271 VanDerWaalsContact C-N 3.33Å; K269-V271 PolarHBondContact O-N 2.86Å; K269-D272 PolarHBondContact O-N 2.59Å; K269-M273 HydrophobicContact CD-CE 4.21Å; K269-M273 HydrophobicContact CG-CE 3.74Å; K269-M273 WeakPolarHBondContact O-CG 3.05Å; K269-Y281 HydrophobicContact CD-CE1 4.35Å; K269-Y281 VanDerWaalsContact NZ-CE2 3.28Å; K269-Y281 PolarHBondContact NZ-OH 2.84Å
270L93Very high93.3Very high7 Ų755.1 Ų55.14%0.03729%0.292CS..Hα-helixtrans-67.9-29.8-177.2-64.3178.2000113.5L266 E267 D272 M273 R278 Y281 L282L266-L270 HydrophobicContact CD1-CD1 4.22Å; L266-L270 HydrophobicContact CD1-CD2 4.25Å; L266-L270 HydrophobicContact CD1-CG 4.08Å; L266-L270 HydrophobicContact CG-CD1 4.02Å; L266-L270 HydrophobicContact CG-CG 4.26Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.48Å; L266-L270 PolarHBondContact O-N 3.28Å; E267-L270 PolarHBondContact O-N 3.26Å; L270-D272 VanDerWaalsContact C-N 3.26Å; L270-D272 PolarHBondContact O-N 2.75Å; L270-M273 HydrophobicContact CD2-SD 4.08Å; L270-M273 PolarHBondContact O-N 3.19Å; L270-R278 HydrophobicContact CD2-CG 4.24Å; L270-Y281 HydrophobicContact CD2-CD1 3.75Å; L270-Y281 HydrophobicContact CD2-CE1 4.38Å; L270-L282 HydrophobicContact CD1-CD1 4.38Å; L270-L282 HydrophobicContact CD1-CD2 3.87Å; L270-L282 HydrophobicContact CD1-CG 4.41Å; L270-L282 HydrophobicContact CD2-CD2 4.04Å; L270-L282 HydrophobicContact CD2-CG 4.07Å
271V89.6Confident93.2Very high37 Ų3757.2 Ų57.222%0.22430%0.3CS..THydrogen-bonded Turntrans-73.1-20.4-176.5780000113.2V41 K44 E267 A268 K269V41-V271 HydrophobicContact CG2-CG1 4.43Å; K44-V271 HydrophobicContact CB-CG2 3.45Å; K44-V271 VanDerWaalsContact CB-CG2 3.45Å; K44-V271 HydrophobicContact CD-CG1 3.65Å; K44-V271 HydrophobicContact CD-CG2 4.02Å; K44-V271 HydrophobicContact CG-CG2 4.42Å; E267-V271 PolarHBondContact O-N 2.65Å; A268-V271 WeakPolarHBondContact O-CG1 3.39Å; K269-V271 VanDerWaalsContact C-N 3.33Å; K269-V271 PolarHBondContact O-N 2.86Å
272D87.3Confident93Very high113 Ų11356.1 Ų56.160%0.60429%0.291SS*.THydrogen-bonded Turntrans-93.1-4.8177.2-68.2-31.3000112.7K44 K269 L270K44-D272 IonicContact NZ-OD1 3.8Å; K44-D272 PolarHBondContact NZ-OD1 3.01Å; K44-D272 IonicContact NZ-OD2 2.71Å; K44-D272 PolarHBondContact NZ-OD2 2.93Å; K269-D272 PolarHBondContact O-N 2.59Å; L270-D272 VanDerWaalsContact C-N 3.26Å; L270-D272 PolarHBondContact O-N 2.75Å
273M91.5Very high92.9Very high33 Ų3362.9 Ų62.916%0.16332%0.323CS..SBendtrans-90.4148.4176.1-65.3174.6166.300111K269 L270 E277 R278 Y281K269-M273 HydrophobicContact CD-CE 4.21Å; K269-M273 HydrophobicContact CG-CE 3.74Å; K269-M273 WeakPolarHBondContact O-CG 3.05Å; L270-M273 HydrophobicContact CD2-SD 4.08Å; L270-M273 PolarHBondContact O-N 3.19Å; M273-E277 HydrophobicContact CB-CB 4.15Å; M273-E277 HydrophobicContact CB-CG 4.08Å; M273-E277 HydrophobicContact CE-CG 4.47Å; M273-E277 HydrophobicContact CG-CG 3.94Å; M273-E277 HydrophobicContact SD-CG 4.14Å; M273-R278 HydrophobicContact CB-CB 4.11Å; M273-Y281 HydrophobicContact CE-CD2 4.36Å; M273-Y281 HydrophobicContact CE-CG 4.22Å; M273-Y281 HydrophobicContact SD-CG 4.35Å
274D90.8Very high92.8Very high96 Ų9667.1 Ų67.151%0.51335%0.353SS..  trans-71.6173.3167.173.240.6000111.9E276 E277 R278D274-E276 VanDerWaalsContact C-N 3.31Å; D274-E276 PolarHBondContact O-N 2.73Å; D274-E276 WeakPolarHBondContact OD1-CA 3.12Å; D274-E276 PolarHBondContact OD1-N 3.39Å; D274-E277 WeakPolarHBondContact OD1-CB 3.45Å; D274-E277 PolarHBondContact OD1-N 3.09Å; D274-R278 WeakPolarHBondContact O-CB 3.4Å; D274-R278 PolarHBondContact O-N 3.38Å
275V88.4Confident92.8Very high116 Ų11668.5 Ų68.570%0.70336%0.361SS*.Hα-helixtrans-61.7-37.6-176.2178.60000112.2T279V275-T279 WeakPolarHBondContact O-CB 3.36Å; V275-T279 PolarHBondContact O-N 3.18Å; V275-T279 VanDerWaalsContact O-N 3.13Å; V275-T279 PolarHBondContact O-OG1 2.95Å
276E92.3Very high92.7Very high134 Ų13472.2 Ų72.263%0.62637%0.372SS*.Hα-helixtrans-75.2-45.3-178.2-66-172.4-17100111.4D274 T279 K280D274-E276 VanDerWaalsContact C-N 3.31Å; D274-E276 PolarHBondContact O-N 2.73Å; D274-E276 WeakPolarHBondContact OD1-CA 3.12Å; D274-E276 PolarHBondContact OD1-N 3.39Å; E276-T279 PolarHBondContact O-N 3.38Å; E276-K280 WeakPolarHBondContact O-CG 3.41Å; E276-K280 PolarHBondContact O-N 3.38Å; E276-K280 IonicContact OE2-NZ 3.29Å
277E93.6Very high92.7Very high93 Ų9373.2 Ų73.244%0.43538%0.379SS..Hα-helixtrans-61.1-48176.8-176.8-177.5-169.200110.7M273 D274 T279 K280 Y281M273-E277 HydrophobicContact CB-CB 4.15Å; M273-E277 HydrophobicContact CB-CG 4.08Å; M273-E277 HydrophobicContact CE-CG 4.47Å; M273-E277 HydrophobicContact CG-CG 3.94Å; M273-E277 HydrophobicContact SD-CG 4.14Å; D274-E277 WeakPolarHBondContact OD1-CB 3.45Å; D274-E277 PolarHBondContact OD1-N 3.09Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 2.85Å; E277-K280 PolarHBondContact O-N 2.99Å; E277-Y281 WeakPolarHBondContact O-CB 3.33Å; E277-Y281 PolarHBondContact O-N 2.77Å
278R92.1Very high92.6Very high106 Ų10676.6 Ų76.640%0.440%0.403SS..Hα-helixtrans-55.9-45.3175.2167.9175.4153.4-168.3-9.1111.6L270 M273 D274 Y281 L282L270-R278 HydrophobicContact CD2-CG 4.24Å; M273-R278 HydrophobicContact CB-CB 4.11Å; D274-R278 WeakPolarHBondContact O-CB 3.4Å; D274-R278 PolarHBondContact O-N 3.38Å; R278-Y281 PolarHBondContact O-N 3.47Å; R278-L282 HydrophobicContact CG-CD1 3.9Å; R278-L282 WeakPolarHBondContact O-CB 3.17Å; R278-L282 VanDerWaalsContact O-CG 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.02Å; R278-L282 PolarHBondContact O-N 2.74Å
279T92Very high92.7Very high63 Ų6376 Ų7639%0.38740%0.397SS..Hα-helixtrans-64-50.1-179-59.30000110.6V275 E276 E277 Y281 L282 E283V275-T279 WeakPolarHBondContact O-CB 3.36Å; V275-T279 PolarHBondContact O-N 3.18Å; V275-T279 VanDerWaalsContact O-N 3.13Å; V275-T279 PolarHBondContact O-OG1 2.95Å; E276-T279 PolarHBondContact O-N 3.38Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 2.85Å; T279-Y281 VanDerWaalsContact C-N 3.31Å; T279-Y281 PolarHBondContact O-N 3.02Å; T279-L282 PolarHBondContact O-N 2.61Å; T279-E283 WeakPolarHBondContact O-CB 3.45Å; T279-E283 WeakPolarHBondContact O-CG 3.26Å; T279-E283 PolarHBondContact O-N 2.72Å
280K94.6Very high92.8Very high132 Ų13272.1 Ų72.157%0.57438%0.381SS*.Hα-helixtrans-58.4-41.7176.8-71.8169.4-175.8160.80112.2E276 E277 S284E276-K280 WeakPolarHBondContact O-CG 3.41Å; E276-K280 PolarHBondContact O-N 3.38Å; E276-K280 IonicContact OE2-NZ 3.29Å; E277-K280 PolarHBondContact O-N 2.99Å; K280-S284 WeakPolarHBondContact O-CB 3.34Å; K280-S284 PolarHBondContact O-N 3.37Å
281Y95.1Very high92.8Very high44 Ų4472.5 Ų72.517%0.17338%0.383CS..Hα-helixtrans-63.2-52.3178.4-175.9-101.7000111.4E232 L266 K269 L270 M273 E277 R278 T279 E283 S284 V285E232-Y281 PolarHBondContact OE1-OH 2.87Å; L266-Y281 HydrophobicContact CD1-CD1 4.45Å; L266-Y281 HydrophobicContact CD1-CE1 3.67Å; K269-Y281 HydrophobicContact CD-CE1 4.35Å; K269-Y281 VanDerWaalsContact NZ-CE2 3.28Å; K269-Y281 PolarHBondContact NZ-OH 2.84Å; L270-Y281 HydrophobicContact CD2-CD1 3.75Å; L270-Y281 HydrophobicContact CD2-CE1 4.38Å; M273-Y281 HydrophobicContact CE-CD2 4.36Å; M273-Y281 HydrophobicContact CE-CG 4.22Å; M273-Y281 HydrophobicContact SD-CG 4.35Å; E277-Y281 WeakPolarHBondContact O-CB 3.33Å; E277-Y281 PolarHBondContact O-N 2.77Å; R278-Y281 PolarHBondContact O-N 3.47Å; T279-Y281 VanDerWaalsContact C-N 3.31Å; T279-Y281 PolarHBondContact O-N 3.02Å; Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 2.86Å; Y281-S284 WeakPolarHBondContact O-CB 3.5Å; Y281-S284 PolarHBondContact O-N 2.82Å; Y281-S284 VanDerWaalsContact O-N 3.07Å; Y281-S284 PolarHBondContact O-OG 2.81Å; Y281-V285 HydrophobicContact CE1-CG1 4.28Å; Y281-V285 HydrophobicContact CE1-CG2 4.3Å; Y281-V285 HydrophobicContact CE2-CG1 4.24Å; Y281-V285 WeakPolarHBondContact O-CG2 3.43Å; Y281-V285 PolarHBondContact O-N 2.82Å; Y281-V285 VanDerWaalsContact O-N 3.11Å
282L94.5Very high93Very high21 Ų2172.9 Ų72.911%0.1139%0.386CS..Hα-helixtrans-60.2-39.1-179.5-74.1175.6000112.5L270 R278 T279 N286 S287L270-L282 HydrophobicContact CD1-CD1 4.38Å; L270-L282 HydrophobicContact CD1-CD2 3.87Å; L270-L282 HydrophobicContact CD1-CG 4.41Å; L270-L282 HydrophobicContact CD2-CD2 4.04Å; L270-L282 HydrophobicContact CD2-CG 4.07Å; R278-L282 HydrophobicContact CG-CD1 3.9Å; R278-L282 WeakPolarHBondContact O-CB 3.17Å; R278-L282 VanDerWaalsContact O-CG 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.02Å; R278-L282 PolarHBondContact O-N 2.74Å; T279-L282 PolarHBondContact O-N 2.61Å; L282-N286 WeakPolarHBondContact O-CA 3.29Å; L282-N286 PolarHBondContact O-N 3.15Å; L282-S287 PolarHBondContact O-N 3.2Å
283E95Very high93.4Very high141 Ų14172.9 Ų72.966%0.65938%0.381SS*.Hα-helixtrans-62.4-44.3172.6-73.7174.9174.700111.8T279 Y281 V285 N286T279-E283 WeakPolarHBondContact O-CB 3.45Å; T279-E283 WeakPolarHBondContact O-CG 3.26Å; T279-E283 PolarHBondContact O-N 2.72Å; Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 2.86Å; E283-V285 VanDerWaalsContact C-N 3.32Å; E283-V285 PolarHBondContact O-N 2.89Å; E283-N286 PolarHBondContact O-N 3.35Å; E283-N286 VanDerWaalsContact O-N 3.1Å
284S94.5Very high93.7Very high89 Ų8971.4 Ų71.462%0.62237%0.374SS*.Hα-helixtrans-63.7-35.4-178.577.80000113.4K280 Y281K280-S284 WeakPolarHBondContact O-CB 3.34Å; K280-S284 PolarHBondContact O-N 3.37Å; Y281-S284 WeakPolarHBondContact O-CB 3.5Å; Y281-S284 PolarHBondContact O-N 2.82Å; Y281-S284 VanDerWaalsContact O-N 3.07Å; Y281-S284 PolarHBondContact O-OG 2.81Å
285V93.7Very high93.9Very high32 Ų3267.2 Ų67.219%0.19435%0.351CS..THydrogen-bonded Turntrans-92.80.5176.9-58.20000112.8I236 Y281 E283 S287I236-V285 HydrophobicContact CD1-CB 4Å; I236-V285 HydrophobicContact CD1-CG1 4.14Å; I236-V285 HydrophobicContact CD1-CG2 4.31Å; I236-V285 HydrophobicContact CG1-CB 4.35Å; I236-V285 HydrophobicContact CG1-CG2 4.41Å; I236-V285 HydrophobicContact CG2-CB 4.35Å; Y281-V285 HydrophobicContact CE1-CG1 4.28Å; Y281-V285 HydrophobicContact CE1-CG2 4.3Å; Y281-V285 HydrophobicContact CE2-CG1 4.24Å; Y281-V285 WeakPolarHBondContact O-CG2 3.43Å; Y281-V285 PolarHBondContact O-N 2.82Å; Y281-V285 VanDerWaalsContact O-N 3.11Å; E283-V285 VanDerWaalsContact C-N 3.32Å; E283-V285 PolarHBondContact O-N 2.89Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.39Å
286N93.4Very high94.3Very high139 Ų13965.9 Ų65.974%0.74334%0.336SS*.THydrogen-bonded Turntrans4947.2-175.8-169.127.5000112.9L282 E283L282-N286 WeakPolarHBondContact O-CA 3.29Å; L282-N286 PolarHBondContact O-N 3.15Å; E283-N286 PolarHBondContact O-N 3.35Å; E283-N286 VanDerWaalsContact O-N 3.1Å
287S93Very high94.5Very high21 Ų2160.5 Ų60.515%0.14731%0.313CS..  trans-133.4176-177.2-163.20000111.4Y235 L282 V285Y235-S287 WeakPolarHBondContact CE1-OG 3.31Å; L282-S287 PolarHBondContact O-N 3.2Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.39Å
288S93.9Very high94.6Very high75 Ų7556.1 Ų56.152%0.52429%0.292SS..  trans-141.2149.9179.761.30000110.6Y235 A290Y235-S288 VanDerWaalsContact CE1-O 3.31Å; Y235-S288 WeakPolarHBondContact CE1-O 3.32Å; Y235-S288 PolarHBondContact OH-O 3.01Å; S288-A290 PolarHBondContact O-N 2.98Å
289S94.6Very high94.8Very high18 Ų1851.5 Ų51.513%0.12628%0.275CS..  trans-60.8135169.91720000111.1E267 L291E267-S289 VanDerWaalsContact CD-OG 3.23Å; E267-S289 WeakPolarHBondContact OE1-CA 3.46Å; E267-S289 PolarHBondContact OE1-OG 3.07Å; E267-S289 VanDerWaalsContact OE1-OG 3.08Å; E267-S289 WeakPolarHBondContact OE2-CB 3.44Å; E267-S289 PolarHBondContact OE2-OG 2.89Å; S289-L291 WeakPolarHBondContact OG-CB 3.44Å; S289-L291 PolarHBondContact OG-N 3.23Å; S289-L291 VanDerWaalsContact OG-N 3.16Å
290A95.6Very high95Very high5 Ų556.1 Ų56.14%0.04129%0.29CS..SBendtrans-81.7-17.1172.100000112.1Y235 F262 E267 S288 K293 I294Y235-A290 HydrophobicContact CE2-CB 4.28Å; Y235-A290 WeakPolarHBondContact OH-CB 3.4Å; Y235-A290 PolarHBondContact OH-N 3.32Å; F262-A290 HydrophobicContact CB-CB 3.65Å; E267-A290 PolarHBondContact OE1-N 3.29Å; S288-A290 PolarHBondContact O-N 2.98Å; A290-K293 WeakPolarHBondContact O-CA 3.48Å; A290-K293 WeakPolarHBondContact O-CB 3.46Å; A290-K293 PolarHBondContact O-N 3.48Å; A290-I294 HydrophobicContact CB-CD1 4.19Å; A290-I294 WeakPolarHBondContact O-CG1 3.38Å; A290-I294 PolarHBondContact O-N 3Å
291L93.9Very high95Very high14 Ų1450.5 Ų50.57%0.07327%0.268CS..Hα-helixtrans-53.2-45.7-173.9-167.667.3000113.3F38 V41 L42 E267 S289 K293 I294 I295F38-L291 HydrophobicContact CE2-CD1 3.96Å; V41-L291 HydrophobicContact CG1-CD1 4.23Å; V41-L291 HydrophobicContact CG1-CD2 3.97Å; L42-L291 HydrophobicContact CD2-CD1 3.59Å; L42-L291 HydrophobicContact CD2-CG 4.49Å; L42-L291 HydrophobicContact CG-CD1 4.24Å; E267-L291 PolarHBondContact OE1-N 3.22Å; S289-L291 WeakPolarHBondContact OG-CB 3.44Å; S289-L291 PolarHBondContact OG-N 3.23Å; S289-L291 VanDerWaalsContact OG-N 3.16Å; L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 2.87Å; L291-I294 PolarHBondContact O-N 3.29Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 3.28Å
292P93.8Very high95Very high46 Ų4648.8 Ų48.830%0.29926%0.262SS..Hα-helixtrans-59.3-38.9176.2-26.136.8000113.5P67 K296P67-P292 HydrophobicContact CB-CB 4.39Å; P67-P292 HydrophobicContact CG-CB 3.68Å; P292-K296 WeakPolarHBondContact O-CG 3.26Å; P292-K296 PolarHBondContact O-N 3.06Å; P292-K296 VanDerWaalsContact O-N 3.11Å
293K95.7Very high95Very high113 Ų11351.3 Ų51.349%0.49127%0.273SS..Hα-helixtrans-68.2-43.3177.6-178.6178.8176.2-177.90110.7V260 A290 L291 K296 C297V260-K293 HydrophobicContact CG1-CD 4.22Å; V260-K293 HydrophobicContact CG1-CG 4.48Å; A290-K293 WeakPolarHBondContact O-CA 3.48Å; A290-K293 WeakPolarHBondContact O-CB 3.46Å; A290-K293 PolarHBondContact O-N 3.48Å; L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 2.87Å; K293-K296 PolarHBondContact O-N 3.06Å; K293-C297 WeakPolarHBondContact O-CB 3.28Å; K293-C297 PolarHBondContact O-N 3.48Å; K293-C297 PolarHBondContact O-SG 3.42Å
294I97.1Very high95Very high1 Ų145 Ų451%0.00524%0.244CC..Hα-helixtrans-60.5-47.5178.8-63.9168.3000110.6F38 F121 L227 V260 F262 A290 L291 K296 C297 G298F38-I294 HydrophobicContact CE2-CD1 3.9Å; F38-I294 HydrophobicContact CE2-CG2 4.28Å; F38-I294 HydrophobicContact CZ-CD1 4.34Å; F38-I294 HydrophobicContact CZ-CG2 3.68Å; F121-I294 HydrophobicContact CD1-CG2 4.43Å; F121-I294 HydrophobicContact CE1-CG2 3.84Å; F121-I294 HydrophobicContact CE2-CG2 4.35Å; F121-I294 HydrophobicContact CZ-CG2 3.78Å; F121-I294 WeakPolarHBondContact CZ-O 3.35Å; L227-I294 HydrophobicContact CD1-CG2 4.05Å; L227-I294 HydrophobicContact CD2-CD1 4.34Å; L227-I294 HydrophobicContact CD2-CG1 4.02Å; L227-I294 HydrophobicContact CD2-CG2 3.87Å; V260-I294 HydrophobicContact CB-CG1 4.35Å; V260-I294 HydrophobicContact CG1-CD1 4.47Å; V260-I294 HydrophobicContact CG1-CG1 3.73Å; F262-I294 HydrophobicContact CB-CD1 3.93Å; F262-I294 HydrophobicContact CD1-CD1 4.43Å; F262-I294 HydrophobicContact CD2-CD1 4.15Å; F262-I294 HydrophobicContact CG-CD1 3.91Å; A290-I294 HydrophobicContact CB-CD1 4.19Å; A290-I294 WeakPolarHBondContact O-CG1 3.38Å; A290-I294 PolarHBondContact O-N 3Å; L291-I294 PolarHBondContact O-N 3.29Å; I294-K296 PolarHBondContact O-N 2.57Å; I294-C297 PolarHBondContact O-N 3.34Å; I294-G298 PolarHBondContact O-N 2.97Å
295I95.8Very high95.1Very high8 Ų842.6 Ų42.64%0.04122%0.223CC..Hα-helixtrans-59.4-49178.2-65160.7000110.8L42 V64 V66 L88 L291 C297 G298 Y299L42-I295 HydrophobicContact CD2-CD1 4.45Å; L42-I295 HydrophobicContact CD2-CG1 4.19Å; V64-I295 HydrophobicContact CG1-CD1 3.54Å; V64-I295 HydrophobicContact CG1-CG1 4.24Å; V66-I295 HydrophobicContact CB-CG2 4.44Å; V66-I295 HydrophobicContact CG2-CG2 4.16Å; L88-I295 HydrophobicContact CB-CG2 4.15Å; L88-I295 HydrophobicContact CD2-CB 4.43Å; L88-I295 HydrophobicContact CD2-CG2 4.03Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 3.28Å; I295-C297 VanDerWaalsContact C-N 3.34Å; I295-C297 PolarHBondContact O-N 3.01Å; I295-G298 PolarHBondContact O-N 3.06Å; I295-Y299 WeakPolarHBondContact O-CB 3.48Å; I295-Y299 PolarHBondContact O-N 3.3Å
296K96.2Very high95.3Very high88 Ų8841.8 Ų41.838%0.38322%0.216SC..Hα-helixtrans-59.8-41.9176.7-74.4179.7178.2-176.80112.3V66 P67 P292 K293 I294 Y299 K300V66-K296 HydrophobicContact CG1-CG 4.48Å; P67-K296 WeakPolarHBondContact O-CE 3.22Å; P67-K296 PolarHBondContact O-NZ 2.92Å; P292-K296 WeakPolarHBondContact O-CG 3.26Å; P292-K296 PolarHBondContact O-N 3.06Å; P292-K296 VanDerWaalsContact O-N 3.11Å; K293-K296 PolarHBondContact O-N 3.06Å; I294-K296 PolarHBondContact O-N 2.57Å; K296-Y299 PolarHBondContact O-N 3.05Å; K296-K300 WeakPolarHBondContact O-CB 3.46Å; K296-K300 PolarHBondContact O-N 3.5Å
297C96.5Very high95.5Very high22 Ų2235.1 Ų35.115%0.14918%0.181CC..Hα-helixtrans-62.7-43.9176.8-74.90000111.9V225 K293 I294 I295 K300 A301V225-C297 HydrophobicContact CG1-CB 4.09Å; V225-C297 HydrophobicContact CG2-CB 4.44Å; K293-C297 WeakPolarHBondContact O-CB 3.28Å; K293-C297 PolarHBondContact O-N 3.48Å; K293-C297 PolarHBondContact O-SG 3.42Å; I294-C297 PolarHBondContact O-N 3.34Å; I295-C297 VanDerWaalsContact C-N 3.34Å; I295-C297 PolarHBondContact O-N 3.01Å; C297-K300 PolarHBondContact O-N 3.11Å; C297-A301 WeakPolarHBondContact O-CB 3.35Å; C297-A301 PolarHBondContact O-N 2.88Å
298G96.4Very high95.8Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-62.8-44.5175.300000112.7I294 I295 K300 A301 L302I294-G298 PolarHBondContact O-N 2.97Å; I295-G298 PolarHBondContact O-N 3.06Å; G298-K300 VanDerWaalsContact C-N 3.34Å; G298-K300 PolarHBondContact O-N 3.39Å; G298-A301 WeakPolarHBondContact O-CB 3.35Å; G298-A301 PolarHBondContact O-N 3.33Å; G298-L302 WeakPolarHBondContact O-CG 3.24Å; G298-L302 PolarHBondContact O-N 2.86Å; G298-L302 VanDerWaalsContact O-N 3.1Å
299Y96.2Very high95.9Very high9 Ų931.9 Ų31.94%0.03516%0.157CC..Hα-helixtrans-60.4-43.9177.6-162.3-92.5000112V66 A86 L88 I295 K296 L302 L304 Y306 T319V66-Y299 HydrophobicContact CG2-CD2 3.51Å; V66-Y299 HydrophobicContact CG2-CE2 3.89Å; V66-Y299 HydrophobicContact CG2-CG 4.05Å; A86-Y299 HydrophobicContact CB-CE2 4.3Å; L88-Y299 HydrophobicContact CB-CD2 4.47Å; L88-Y299 HydrophobicContact CD1-CD2 4.2Å; I295-Y299 WeakPolarHBondContact O-CB 3.48Å; I295-Y299 PolarHBondContact O-N 3.3Å; K296-Y299 PolarHBondContact O-N 3.05Å; Y299-L302 PolarHBondContact O-N 3.35Å; Y299-L304 HydrophobicContact CD1-CB 3.76Å; Y299-L304 WeakPolarHBondContact CD1-O 3.49Å; Y299-L304 HydrophobicContact CD2-CB 4.35Å; Y299-L304 HydrophobicContact CD2-CD1 4.23Å; Y299-L304 VanDerWaalsContact CE1-C 3.42Å; Y299-L304 HydrophobicContact CE1-CB 3.35Å; Y299-L304 WeakPolarHBondContact CE1-O 3.38Å; Y299-L304 HydrophobicContact CE2-CB 4.01Å; Y299-L304 HydrophobicContact CE2-CD1 3.9Å; Y299-L304 HydrophobicContact CG-CB 4.25Å; Y299-L304 VanDerWaalsContact CZ-CB 3.5Å; Y299-L304 PolarHBondContact O-N 3.49Å; Y299-Y306 HydrophobicContact CD1-CD1 4.46Å; Y299-Y306 HydrophobicContact CD1-CE1 4.2Å; Y299-Y306 AromaticContact CE1-CD1 3.47Å; Y299-Y306 HydrophobicContact CE1-CD1 3.47Å; Y299-Y306 VanDerWaalsContact CE1-CD1 3.47Å; Y299-Y306 AromaticContact CE1-CE1 3.62Å; Y299-Y306 HydrophobicContact CE1-CE1 3.62Å; Y299-Y306 AromaticContact CZ-CD1 3.66Å; Y299-Y306 WeakPolarHBondContact OH-CD1 3.43Å; Y299-T319 WeakPolarHBondContact OH-CB 3.42Å; Y299-T319 WeakPolarHBondContact OH-CG2 3.34Å; Y299-T319 PolarHBondContact OH-OG1 2.8Å
300K94.7Very high96Very high160 Ų16032.9 Ų32.970%0.69616%0.162SC*.Hα-helixtrans-66.2-38174.3-174.9177.1179179.70112.6K296 C297 G298 L302 Q303K296-K300 WeakPolarHBondContact O-CB 3.46Å; K296-K300 PolarHBondContact O-N 3.5Å; C297-K300 PolarHBondContact O-N 3.11Å; G298-K300 VanDerWaalsContact C-N 3.34Å; G298-K300 PolarHBondContact O-N 3.39Å; K300-L302 VanDerWaalsContact C-N 3.25Å; K300-L302 PolarHBondContact O-N 3.18Å; K300-Q303 WeakPolarHBondContact O-CA 3.4Å; K300-Q303 PolarHBondContact O-N 2.52Å; K300-Q303 PolarHBondContact O-NE2 3.43Å
301A94.9Very high95.8Very high15 Ų1533.8 Ų33.812%0.12417%0.172CC..Hα-helixtrans-60.5-37.8177.400000111.4A119 P223 V225 C297 G298 Q303A119-A301 HydrophobicContact CB-CB 4.23Å; P223-A301 HydrophobicContact CG-CB 4.47Å; P223-A301 WeakPolarHBondContact CG-O 3.29Å; V225-A301 HydrophobicContact CG2-CB 3.76Å; C297-A301 WeakPolarHBondContact O-CB 3.35Å; C297-A301 PolarHBondContact O-N 2.88Å; G298-A301 WeakPolarHBondContact O-CB 3.35Å; G298-A301 PolarHBondContact O-N 3.33Å; A301-Q303 PolarHBondContact O-N 3.06Å; A301-Q303 VanDerWaalsContact O-N 3.1Å
302L95.6Very high95.6Very high8 Ų841.3 Ų41.34%0.04220%0.204CC..THydrogen-bonded Turntrans-68.80.6173-65174.8000114.5L23 V25 L88 D118 A119 G298 Y299 K300 L304L23-L302 HydrophobicContact CB-CB 4.44Å; L23-L302 HydrophobicContact CB-CD1 4.12Å; L23-L302 HydrophobicContact CB-CD2 3.9Å; L23-L302 HydrophobicContact CB-CG 4.41Å; L23-L302 HydrophobicContact CD1-CB 4.24Å; L23-L302 WeakPolarHBondContact CD1-O 3.45Å; V25-L302 HydrophobicContact CG2-CD1 3.57Å; V25-L302 HydrophobicContact CG2-CD2 4.03Å; V25-L302 HydrophobicContact CG2-CG 3.72Å; L88-L302 HydrophobicContact CD1-CD1 3.68Å; D118-L302 HydrophobicContact CB-CD2 3.71Å; A119-L302 HydrophobicContact CB-CD2 3.51Å; A119-L302 HydrophobicContact CB-CG 4.15Å; G298-L302 WeakPolarHBondContact O-CG 3.24Å; G298-L302 PolarHBondContact O-N 2.86Å; G298-L302 VanDerWaalsContact O-N 3.1Å; Y299-L302 PolarHBondContact O-N 3.35Å; K300-L302 VanDerWaalsContact C-N 3.25Å; K300-L302 PolarHBondContact O-N 3.18Å; L302-L304 HydrophobicContact CB-CD1 3.87Å; L302-L304 HydrophobicContact CB-CG 3.77Å; L302-L304 HydrophobicContact CD1-CD1 3.86Å; L302-L304 PolarHBondContact O-N 3.43Å
303Q94.5Very high95.6Very high73 Ų7344.1 Ų44.134%0.34122%0.217SC..THydrogen-bonded Turntrans55.236-173.5-55.3-62.6-52.100112.1L15 K300 A301 Q321 K322L15-Q303 HydrophobicContact CD1-CB 4.01Å; L15-Q303 HydrophobicContact CD1-CG 4.41Å; L15-Q303 HydrophobicContact CD2-CG 4.33Å; K300-Q303 WeakPolarHBondContact O-CA 3.4Å; K300-Q303 PolarHBondContact O-N 2.52Å; K300-Q303 PolarHBondContact O-NE2 3.43Å; A301-Q303 PolarHBondContact O-N 3.06Å; A301-Q303 VanDerWaalsContact O-N 3.1Å; Q303-Q321 CarbonylContact O-C 3.6Å; Q303-Q321 WeakPolarHBondContact O-CA 3.3Å; Q303-K322 HydrophobicContact CB-CB 4.44Å; Q303-K322 PolarHBondContact O-N 2.97Å
304L95.8Very high95.7Very high10 Ų1040.3 Ų40.35%0.05220%0.201CC..EExtended strand (participates in β ladder)trans-96.2142.5175.6-62176.4000110.4L23 Y299 L302 T319 I320 Q321L23-L304 HydrophobicContact CB-CD1 4.47Å; L23-L304 HydrophobicContact CD1-CD2 4.13Å; L23-L304 HydrophobicContact CD1-CG 4.46Å; L23-L304 HydrophobicContact CG-CD2 4.5Å; Y299-L304 HydrophobicContact CD1-CB 3.76Å; Y299-L304 WeakPolarHBondContact CD1-O 3.49Å; Y299-L304 HydrophobicContact CD2-CB 4.35Å; Y299-L304 HydrophobicContact CD2-CD1 4.23Å; Y299-L304 VanDerWaalsContact CE1-C 3.42Å; Y299-L304 HydrophobicContact CE1-CB 3.35Å; Y299-L304 WeakPolarHBondContact CE1-O 3.38Å; Y299-L304 HydrophobicContact CE2-CB 4.01Å; Y299-L304 HydrophobicContact CE2-CD1 3.9Å; Y299-L304 HydrophobicContact CG-CB 4.25Å; Y299-L304 VanDerWaalsContact CZ-CB 3.5Å; Y299-L304 PolarHBondContact O-N 3.49Å; L302-L304 HydrophobicContact CB-CD1 3.87Å; L302-L304 HydrophobicContact CB-CG 3.77Å; L302-L304 HydrophobicContact CD1-CD1 3.86Å; L302-L304 PolarHBondContact O-N 3.43Å; L304-T319 HydrophobicContact CB-CG2 4.36Å; L304-T319 HydrophobicContact CD1-CG2 4.01Å; L304-T319 HydrophobicContact CD2-CG2 3.85Å; L304-T319 HydrophobicContact CG-CG2 4.3Å; L304-I320 WeakPolarHBondContact CA-O 3.38Å; L304-Q321 HydrophobicContact CD2-CG 3.81Å
305E95.8Very high95.7Very high38 Ų3840.2 Ų40.218%0.17820%0.201CC..EExtended strand (participates in β ladder)trans-137.1170.2174.5-69.6172.3176.300106.7I320 K322 D378E305-I320 HydrophobicContact CB-CG1 4.46Å; E305-I320 PolarHBondContact N-O 3.24Å; E305-I320 WeakPolarHBondContact O-CG1 3.33Å; E305-I320 PolarHBondContact O-N 3.35Å; E305-K322 WeakPolarHBondContact OE1-CD 3.48Å; E305-K322 WeakPolarHBondContact OE1-CG 3.38Å; E305-D378 WeakPolarHBondContact CA-OD1 3.34Å; E305-D378 HydrophobicContact CB-CB 4.01Å; E305-D378 WeakPolarHBondContact CB-OD1 3.44Å; E305-D378 HydrophobicContact CG-CB 3.99Å
306Y97.6Very high95.7Very high14 Ų1442 Ų426%0.05521%0.208CC..EExtended strand (participates in β ladder)trans-145.4151.3174.543.4-91.6000112.4V66 D68 R70 A86 Y299 F308 A317 W318 D378 G379V66-Y306 HydrophobicContact CG1-CE1 4.4Å; D68-Y306 WeakPolarHBondContact OD2-CE2 3.41Å; D68-Y306 PolarHBondContact OD2-OH 3.12Å; R70-Y306 PolarHBondContact NH2-OH 3.23Å; A86-Y306 HydrophobicContact CB-CD1 3.71Å; A86-Y306 HydrophobicContact CB-CE1 3.99Å; A86-Y306 HydrophobicContact CB-CG 4.14Å; Y299-Y306 HydrophobicContact CD1-CD1 4.46Å; Y299-Y306 HydrophobicContact CD1-CE1 4.2Å; Y299-Y306 AromaticContact CE1-CD1 3.47Å; Y299-Y306 HydrophobicContact CE1-CD1 3.47Å; Y299-Y306 VanDerWaalsContact CE1-CD1 3.47Å; Y299-Y306 AromaticContact CE1-CE1 3.62Å; Y299-Y306 HydrophobicContact CE1-CE1 3.62Å; Y299-Y306 AromaticContact CZ-CD1 3.66Å; Y299-Y306 WeakPolarHBondContact OH-CD1 3.43Å; Y306-F308 AromaticContact CD2-CE1 3.83Å; Y306-F308 HydrophobicContact CD2-CE1 3.83Å; Y306-F308 AromaticContact CD2-CZ 3.83Å; Y306-F308 HydrophobicContact CD2-CZ 3.83Å; Y306-F308 AromaticContact CE2-CE1 3.92Å; Y306-F308 HydrophobicContact CE2-CE1 3.92Å; Y306-F308 HydrophobicContact CE2-CE2 4.5Å; Y306-F308 AromaticContact CE2-CZ 3.62Å; Y306-F308 HydrophobicContact CE2-CZ 3.62Å; Y306-A317 HydrophobicContact CD2-CB 3.93Å; Y306-A317 HydrophobicContact CG-CB 4.21Å; Y306-W318 WeakPolarHBondContact CA-O 3.21Å; Y306-W318 WeakPolarHBondContact CB-O 3.4Å; Y306-D378 PolarHBondContact N-OD1 2.76Å; Y306-G379 PolarHBondContact O-N 3.34Å
307F98.2Very high95.8Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-108.6160.2167.270.5-88.9000109.2T309 W318 I320 A329 I333 V376 D380 I382 F384F307-T309 HydrophobicContact CE2-CG2 4.04Å; F307-W318 HydrophobicContact CD1-CB 3.89Å; F307-W318 HydrophobicContact CD2-CB 4.25Å; F307-W318 HydrophobicContact CE1-CB 3.41Å; F307-W318 VanDerWaalsContact CE1-CB 3.41Å; F307-W318 HydrophobicContact CE1-CG 4.22Å; F307-W318 HydrophobicContact CE2-CB 3.79Å; F307-W318 AromaticContact CE2-CD1 3.66Å; F307-W318 AromaticContact CE2-CG 3.83Å; F307-W318 HydrophobicContact CE2-CG 3.83Å; F307-W318 HydrophobicContact CG-CB 4.29Å; F307-W318 HydrophobicContact CZ-CB 3.36Å; F307-W318 AromaticContact CZ-CD1 3.97Å; F307-W318 HydrophobicContact CZ-CD2 4.47Å; F307-W318 AromaticContact CZ-CG 3.65Å; F307-W318 HydrophobicContact CZ-CG 3.65Å; F307-W318 PolarHBondContact N-O 3.35Å; F307-W318 PolarHBondContact O-N 3.47Å; F307-I320 HydrophobicContact CD1-CD1 4.25Å; F307-I320 HydrophobicContact CD1-CG2 4.1Å; F307-I320 HydrophobicContact CE1-CG2 3.89Å; F307-A329 HydrophobicContact CD1-CB 4.27Å; F307-A329 HydrophobicContact CE1-CB 3.79Å; F307-A329 HydrophobicContact CZ-CB 4.44Å; F307-I333 HydrophobicContact CE2-CD1 4.19Å; F307-I333 HydrophobicContact CZ-CD1 4.24Å; F307-I333 HydrophobicContact CZ-CG1 4.28Å; F307-V376 HydrophobicContact CB-CG1 3.84Å; F307-V376 HydrophobicContact CD1-CG1 4.18Å; F307-V376 HydrophobicContact CG-CG1 4.3Å; F307-D380 CarbonylContact C-O 3.47Å; F307-D380 VanDerWaalsContact CA-O 3.27Å; F307-D380 WeakPolarHBondContact CA-O 3.29Å; F307-D380 HydrophobicContact CB-CB 4.18Å; F307-D380 VanDerWaalsContact CB-O 3.3Å; F307-D380 WeakPolarHBondContact CB-O 3.41Å; F307-I382 HydrophobicContact CB-CD1 3.82Å; F307-I382 HydrophobicContact CB-CG1 4.18Å; F307-I382 HydrophobicContact CD2-CB 4.03Å; F307-I382 HydrophobicContact CD2-CD1 3.95Å; F307-I382 HydrophobicContact CD2-CG1 4.06Å; F307-I382 HydrophobicContact CG-CD1 3.88Å; F307-I382 HydrophobicContact CG-CG1 4.36Å; F307-F384 HydrophobicContact CD2-CE2 4.49Å; F307-F384 AromaticContact CE2-CE2 3.63Å; F307-F384 HydrophobicContact CE2-CE2 3.63Å; F307-F384 HydrophobicContact CE2-CZ 4.17Å; F307-F384 AromaticContact CZ-CE2 3.76Å; F307-F384 HydrophobicContact CZ-CE2 3.76Å; F307-F384 HydrophobicContact CZ-CZ 4.14Å
308F98.4Very high95.8Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans-104.1141.6178.8-57.1-68.8000111.6R70 F71 L74 Y306 T310 K316 A317 D380 I381 I382R70-F308 HydrophobicContact CB-CE2 4.04Å; R70-F308 HydrophobicContact CB-CZ 4.08Å; F71-F308 HydrophobicContact CB-CE1 3.88Å; F71-F308 HydrophobicContact CB-CZ 4.21Å; F71-F308 HydrophobicContact CD2-CD1 4.27Å; F71-F308 AromaticContact CD2-CE1 3.96Å; F71-F308 HydrophobicContact CD2-CE1 3.96Å; F71-F308 HydrophobicContact CG-CE1 4.42Å; L74-F308 HydrophobicContact CD1-CB 3.83Å; L74-F308 HydrophobicContact CD1-CD1 4.07Å; L74-F308 HydrophobicContact CD1-CD2 3.53Å; L74-F308 HydrophobicContact CD1-CE2 4.02Å; L74-F308 HydrophobicContact CD1-CG 3.53Å; L74-F308 HydrophobicContact CD1-CZ 4.48Å; Y306-F308 AromaticContact CD2-CE1 3.83Å; Y306-F308 HydrophobicContact CD2-CE1 3.83Å; Y306-F308 AromaticContact CD2-CZ 3.83Å; Y306-F308 HydrophobicContact CD2-CZ 3.83Å; Y306-F308 AromaticContact CE2-CE1 3.92Å; Y306-F308 HydrophobicContact CE2-CE1 3.92Å; Y306-F308 HydrophobicContact CE2-CE2 4.5Å; Y306-F308 AromaticContact CE2-CZ 3.62Å; Y306-F308 HydrophobicContact CE2-CZ 3.62Å; F308-T310 HydrophobicContact CB-CG2 4.4Å; F308-K316 VanDerWaalsContact CA-O 3.3Å; F308-K316 WeakPolarHBondContact CA-O 3.47Å; F308-A317 HydrophobicContact CD1-CB 3.88Å; F308-A317 HydrophobicContact CE1-CB 3.71Å; F308-D380 PolarHBondContact N-O 3.03Å; F308-I381 HydrophobicContact CB-CG1 4.31Å; F308-I381 HydrophobicContact CD2-CG1 4.35Å; F308-I381 WeakPolarHBondContact O-CA 3.33Å; F308-I382 PolarHBondContact O-N 3.16Å
309T97.4Very high95.9Very high28 Ų2840.3 Ų40.317%0.17220%0.201CC..EExtended strand (participates in β ladder)trans-107135.4155.354.10000108F307 V315 K316 W318 I333F307-T309 HydrophobicContact CE2-CG2 4.04Å; T309-V315 WeakPolarHBondContact O-CA 3.36Å; T309-K316 PolarHBondContact N-O 3.07Å; T309-K316 PolarHBondContact O-N 3.39Å; T309-W318 PolarHBondContact OG1-NE1 2.87Å; T309-I333 HydrophobicContact CG2-CD1 3.87Å
310T96Very high95.9Very high38 Ų3839.9 Ų39.923%0.23320%0.199CC..EExtended strand (participates in β ladder)trans-128.2139.5-175.2550000110.8L74 Y78 F308 E314 V315 I381L74-T310 HydrophobicContact CB-CG2 4.38Å; L74-T310 HydrophobicContact CD1-CG2 3.97Å; L74-T310 HydrophobicContact CD2-CG2 4.08Å; L74-T310 HydrophobicContact CG-CG2 4.37Å; Y78-T310 HydrophobicContact CD2-CG2 4.04Å; Y78-T310 HydrophobicContact CE2-CG2 3.81Å; F308-T310 HydrophobicContact CB-CG2 4.4Å; T310-E314 CarbonylContact C-O 3.58Å; T310-V315 HydrophobicContact CG2-CG1 4.34Å; T310-V315 HydrophobicContact CG2-CG2 4.31Å; T310-I381 HydrophobicContact CG2-CG2 3.75Å; T310-I381 WeakPolarHBondContact OG1-CG2 3.3Å
311G90.8Very high95.8Very high24 Ų2432.6 Ų32.625%0.24717%0.168CC..  trans-172.9178.5175.100000110.7D313 E314G311-D313 VanDerWaalsContact C-N 3.26Å; G311-D313 PolarHBondContact O-N 3.35Å; G311-E314 PolarHBondContact N-O 3.08Å
312K90.7Very high95.7Very high172 Ų17236.7 Ų36.775%0.74818%0.183SC*.SBendtrans-68.5-27.9175.4-65.4-175178.5-177.20112.4P80 E81P80-K312 CarbonylContact C-O 3.47Å; P80-K312 WeakPolarHBondContact CA-O 3.42Å; E81-K312 PolarHBondContact N-O 2.63Å
313D94.4Very high95.6Very high106 Ų10636.7 Ų36.757%0.56718%0.184SC*.SBendtrans-83.6-38.4-177.6-49-20.5000111.2R82 G311R82-D313 PolarHBondContact N-O 3.16Å; G311-D313 VanDerWaalsContact C-N 3.26Å; G311-D313 PolarHBondContact O-N 3.35Å
314E96.1Very high95.6Very high32 Ų3233.6 Ų33.615%0.1517%0.171CC..EExtended strand (participates in β ladder)trans-154.1137.7-173.6-171.9175.499.200112.2R82 I84 T310 G311 K316R82-E314 HydrophobicContact CB-CB 4.31Å; R82-E314 HydrophobicContact CB-CG 4.1Å; R82-E314 IonicContact CZ-OE2 3.26Å; R82-E314 IonicContact NE-OE2 3.44Å; R82-E314 IonicContact NH1-OE2 2.86Å; R82-E314 PolarHBondContact NH1-OE2 2.75Å; R82-E314 IonicContact NH2-OE2 3.22Å; R82-E314 PolarHBondContact NH2-OE2 2.96Å; R82-E314 WeakPolarHBondContact O-CA 3.33Å; I84-E314 HydrophobicContact CD1-CG 4.31Å; I84-E314 VanDerWaalsContact CD1-OE2 3.27Å; I84-E314 WeakPolarHBondContact CD1-OE2 3.3Å; T310-E314 CarbonylContact C-O 3.58Å; G311-E314 PolarHBondContact N-O 3.08Å; E314-K316 HydrophobicContact CG-CB 3.98Å; E314-K316 WeakPolarHBondContact OE1-CB 3.5Å; E314-K316 WeakPolarHBondContact OE1-CD 3.29Å
315V97Very high95.5Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-112.7124.3156.6174.20000107.6F71 L74 Y78 P80 R82 I84 T309 T310F71-V315 HydrophobicContact CD2-CG1 4.08Å; F71-V315 HydrophobicContact CE2-CG1 3.89Å; L74-V315 HydrophobicContact CB-CG1 3.89Å; Y78-V315 HydrophobicContact CD2-CG2 4.47Å; Y78-V315 HydrophobicContact CG-CG2 4.49Å; P80-V315 HydrophobicContact CB-CB 4.36Å; P80-V315 HydrophobicContact CB-CG2 3.93Å; P80-V315 HydrophobicContact CG-CB 3.86Å; P80-V315 HydrophobicContact CG-CG2 3.61Å; R82-V315 PolarHBondContact O-N 3.27Å; I84-V315 PolarHBondContact N-O 3.46Å; T309-V315 WeakPolarHBondContact O-CA 3.36Å; T310-V315 HydrophobicContact CG2-CG1 4.34Å; T310-V315 HydrophobicContact CG2-CG2 4.31Å
316K97.4Very high95.6Very high45 Ų4533 Ų3320%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-138.3135.2-174.7178167.3179.4-178.70112.8I84 F308 T309 E314 W318I84-K316 HydrophobicContact CB-CB 4.05Å; I84-K316 HydrophobicContact CB-CD 4.11Å; I84-K316 HydrophobicContact CB-CG 3.84Å; I84-K316 HydrophobicContact CD1-CD 4.1Å; I84-K316 HydrophobicContact CG2-CD 4.03Å; I84-K316 HydrophobicContact CG2-CG 3.92Å; I84-K316 CarbonylContact O-C 3.4Å; I84-K316 VanDerWaalsContact O-CA 3.29Å; I84-K316 WeakPolarHBondContact O-CA 3.44Å; F308-K316 VanDerWaalsContact CA-O 3.3Å; F308-K316 WeakPolarHBondContact CA-O 3.47Å; T309-K316 PolarHBondContact N-O 3.07Å; T309-K316 PolarHBondContact O-N 3.39Å; E314-K316 HydrophobicContact CG-CB 3.98Å; E314-K316 WeakPolarHBondContact OE1-CB 3.5Å; E314-K316 WeakPolarHBondContact OE1-CD 3.29Å; K316-W318 HydrophobicContact CD-CD2 4.12Å; K316-W318 VanDerWaalsContact CD-CE2 3.49Å; K316-W318 HydrophobicContact CD-CH2 4.1Å; K316-W318 HydrophobicContact CD-CZ2 3.49Å; K316-W318 VanDerWaalsContact CD-CZ2 3.49Å; K316-W318 HydrophobicContact CG-CD2 4.29Å; K316-W318 HydrophobicContact CG-CG 4.4Å; K316-W318 HydrophobicContact CG-CZ2 4.35Å
317A97.6Very high95.5Very high6 Ų632.5 Ų32.55%0.0517%0.166CC..EExtended strand (participates in β ladder)trans-92.5113.7170.700000110.6F71 I84 A86 Y306 F308F71-A317 HydrophobicContact CD2-CB 4.42Å; I84-A317 PolarHBondContact O-N 3.32Å; A86-A317 HydrophobicContact CB-CB 4.02Å; Y306-A317 HydrophobicContact CD2-CB 3.93Å; Y306-A317 HydrophobicContact CG-CB 4.21Å; F308-A317 HydrophobicContact CD1-CB 3.88Å; F308-A317 HydrophobicContact CE1-CB 3.71Å
318W97.4Very high95.3Very high37 Ų3736.5 Ų36.514%0.1418%0.184CC..EExtended strand (participates in β ladder)trans-95.2109.3-178.1-6991.4000110.9Y306 F307 T309 K316 I320 R332 I333Y306-W318 WeakPolarHBondContact CA-O 3.21Å; Y306-W318 WeakPolarHBondContact CB-O 3.4Å; F307-W318 HydrophobicContact CD1-CB 3.89Å; F307-W318 HydrophobicContact CD2-CB 4.25Å; F307-W318 HydrophobicContact CE1-CB 3.41Å; F307-W318 VanDerWaalsContact CE1-CB 3.41Å; F307-W318 HydrophobicContact CE1-CG 4.22Å; F307-W318 HydrophobicContact CE2-CB 3.79Å; F307-W318 AromaticContact CE2-CD1 3.66Å; F307-W318 AromaticContact CE2-CG 3.83Å; F307-W318 HydrophobicContact CE2-CG 3.83Å; F307-W318 HydrophobicContact CG-CB 4.29Å; F307-W318 HydrophobicContact CZ-CB 3.36Å; F307-W318 AromaticContact CZ-CD1 3.97Å; F307-W318 HydrophobicContact CZ-CD2 4.47Å; F307-W318 AromaticContact CZ-CG 3.65Å; F307-W318 HydrophobicContact CZ-CG 3.65Å; F307-W318 PolarHBondContact N-O 3.35Å; F307-W318 PolarHBondContact O-N 3.47Å; T309-W318 PolarHBondContact OG1-NE1 2.87Å; K316-W318 HydrophobicContact CD-CD2 4.12Å; K316-W318 VanDerWaalsContact CD-CE2 3.49Å; K316-W318 HydrophobicContact CD-CH2 4.1Å; K316-W318 HydrophobicContact CD-CZ2 3.49Å; K316-W318 VanDerWaalsContact CD-CZ2 3.49Å; K316-W318 HydrophobicContact CG-CD2 4.29Å; K316-W318 HydrophobicContact CG-CG 4.4Å; K316-W318 HydrophobicContact CG-CZ2 4.35Å; W318-I320 PolarHBondContact O-N 3.4Å; W318-R332 HydrophobicContact CE3-CB 4.45Å; W318-R332 WeakPolarHBondContact CZ3-O 3.48Å; W318-I333 HydrophobicContact CD2-CG1 3.87Å; W318-I333 HydrophobicContact CE3-CG1 4.1Å; W318-I333 HydrophobicContact CG-CG1 4.48Å; W318-I333 HydrophobicContact CH2-CB 4.05Å; W318-I333 HydrophobicContact CH2-CG1 3.97Å; W318-I333 HydrophobicContact CH2-CG2 3.97Å; W318-I333 HydrophobicContact CZ2-CB 4.19Å; W318-I333 HydrophobicContact CZ2-CD1 4.42Å; W318-I333 HydrophobicContact CZ2-CG1 3.76Å; W318-I333 HydrophobicContact CZ2-CG2 3.96Å; W318-I333 HydrophobicContact CZ3-CB 4.37Å; W318-I333 HydrophobicContact CZ3-CG1 4.15Å
319T96.9Very high95.2Very high31 Ų3136.5 Ų36.519%0.1918%0.184CC..EExtended strand (participates in β ladder)trans-65.3126.9178.3-63.30000111.4T21 Y299 L304T21-T319 HydrophobicContact CG2-CG2 4.47Å; T21-T319 VanDerWaalsContact CG2-O 3.28Å; T21-T319 WeakPolarHBondContact CG2-O 3.43Å; Y299-T319 WeakPolarHBondContact OH-CB 3.42Å; Y299-T319 WeakPolarHBondContact OH-CG2 3.34Å; Y299-T319 PolarHBondContact OH-OG1 2.8Å; L304-T319 HydrophobicContact CB-CG2 4.36Å; L304-T319 HydrophobicContact CD1-CG2 4.01Å; L304-T319 HydrophobicContact CD2-CG2 3.85Å; L304-T319 HydrophobicContact CG-CG2 4.3Å
320I96Very high95.1Very high0 Ų035.1 Ų35.10%018%0.176CC..EExtended strand (participates in β ladder)trans-131.1162.1171.754.8169.2000108.9L304 E305 F307 W318 T324 A329 R332 V376L304-I320 WeakPolarHBondContact CA-O 3.38Å; E305-I320 HydrophobicContact CB-CG1 4.46Å; E305-I320 PolarHBondContact N-O 3.24Å; E305-I320 WeakPolarHBondContact O-CG1 3.33Å; E305-I320 PolarHBondContact O-N 3.35Å; F307-I320 HydrophobicContact CD1-CD1 4.25Å; F307-I320 HydrophobicContact CD1-CG2 4.1Å; F307-I320 HydrophobicContact CE1-CG2 3.89Å; W318-I320 PolarHBondContact O-N 3.4Å; I320-T324 HydrophobicContact CB-CG2 4.27Å; I320-T324 HydrophobicContact CG2-CG2 4.21Å; I320-A329 HydrophobicContact CG2-CB 4.22Å; I320-R332 HydrophobicContact CG2-CG 4.2Å; I320-V376 HydrophobicContact CD1-CB 3.71Å; I320-V376 HydrophobicContact CD1-CG1 3.52Å
321Q94.1Very high95Very high8 Ų834 Ų344%0.03717%0.172CC..EExtended strand (participates in β ladder)trans-85.7151.3167-71.6-175.3-28.900110.2R18 G20 Q303 L304 G323 T324R18-Q321 PolarHBondContact O-NE2 2.96Å; G20-Q321 WeakPolarHBondContact O-CG 3.41Å; G20-Q321 PolarHBondContact O-NE2 3.35Å; Q303-Q321 CarbonylContact O-C 3.6Å; Q303-Q321 WeakPolarHBondContact O-CA 3.3Å; L304-Q321 HydrophobicContact CD2-CG 3.81Å; Q321-G323 PolarHBondContact O-N 3.04Å; Q321-T324 PolarHBondContact N-OG1 2.85Å; Q321-T324 VanDerWaalsContact O-CB 3.27Å; Q321-T324 WeakPolarHBondContact O-CB 3.38Å; Q321-T324 PolarHBondContact O-N 3.49Å; Q321-T324 VanDerWaalsContact O-N 3.09Å; Q321-T324 PolarHBondContact O-OG1 3.11Å
322K92.9Very high95.2Very high101 Ų10138.3 Ų38.344%0.43918%0.181SC..THydrogen-bonded Turntrans-50.8133.8174.7-174.1168.7-173.5174.10112R12 Q303 E305 T324R12-K322 VanDerWaalsContact CZ-O 3.32Å; R12-K322 PolarHBondContact NE-O 3.36Å; R12-K322 PolarHBondContact NH2-O 3.29Å; Q303-K322 HydrophobicContact CB-CB 4.44Å; Q303-K322 PolarHBondContact O-N 2.97Å; E305-K322 WeakPolarHBondContact OE1-CD 3.48Å; E305-K322 WeakPolarHBondContact OE1-CG 3.38Å; K322-T324 VanDerWaalsContact C-N 3.35Å
323G92.1Very high95.3Very high7 Ų732.3 Ų32.37%0.07216%0.156CC..THydrogen-bonded Turntrans81.67.4-178.900000115.2R12 Q321R12-G323 WeakPolarHBondContact CD-O 3.49Å; Q321-G323 PolarHBondContact O-N 3.04Å
324T94.1Very high95.1Very high9 Ų931.6 Ų31.66%0.05515%0.15CC..  trans-62.6135.4173.8-63.50000110.6I320 Q321 K322 Q328 A329 V376I320-T324 HydrophobicContact CB-CG2 4.27Å; I320-T324 HydrophobicContact CG2-CG2 4.21Å; Q321-T324 PolarHBondContact N-OG1 2.85Å; Q321-T324 VanDerWaalsContact O-CB 3.27Å; Q321-T324 WeakPolarHBondContact O-CB 3.38Å; Q321-T324 PolarHBondContact O-N 3.49Å; Q321-T324 VanDerWaalsContact O-N 3.09Å; Q321-T324 PolarHBondContact O-OG1 3.11Å; K322-T324 VanDerWaalsContact C-N 3.35Å; T324-Q328 HydrophobicContact CG2-CB 3.67Å; T324-A329 HydrophobicContact CG2-CB 4.16Å; T324-V376 PolarHBondContact O-N 2.95Å
325K95.4Very high94.9Very high34 Ų3434 Ų3415%0.14817%0.166CC..BIsolated β-bridgetrans-84.6157179.6-58.3-56.6-167.4168.50112.3A327 Q328 A329 N373 Y374 T375K325-A327 VanDerWaalsContact C-N 3.32Å; K325-A327 PolarHBondContact O-N 3.33Å; K325-Q328 VanDerWaalsContact N-OE1 3.12Å; K325-Q328 WeakPolarHBondContact O-CB 3.45Å; K325-Q328 PolarHBondContact O-N 3.4Å; K325-A329 PolarHBondContact O-N 3.19Å; K325-N373 WeakPolarHBondContact CD-O 3.45Å; K325-N373 PolarHBondContact NZ-O 3.32Å; K325-Y374 CarbonylContact C-O 3.48Å; K325-Y374 VanDerWaalsContact CA-O 3.29Å; K325-Y374 WeakPolarHBondContact CA-O 3.46Å; K325-T375 PolarHBondContact NZ-OG1 2.98Å
326A96.7Very high94.6Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-51.9-43.5-175.300000114.1A329 A330 F341 A344 Y374 V376 F384A326-A329 PolarHBondContact O-N 3.04Å; A326-A330 PolarHBondContact O-N 3.38Å; A326-F341 HydrophobicContact CB-CE2 3.96Å; A326-F341 HydrophobicContact CB-CZ 3.73Å; A326-A344 HydrophobicContact CB-CB 4.16Å; A326-Y374 HydrophobicContact CB-CD1 4.27Å; A326-Y374 PolarHBondContact N-O 3.45Å; A326-V376 HydrophobicContact CB-CG2 4.42Å; A326-F384 VanDerWaalsContact O-CE1 3.31Å; A326-F384 WeakPolarHBondContact O-CE1 3.46Å
327A95.1Very high94.4Very high5 Ų536 Ų364%0.04118%0.177CC..Hα-helixtrans-66.9-37.7177.700000113.5K325 A330 G331 E338 F341 R372K325-A327 VanDerWaalsContact C-N 3.32Å; K325-A327 PolarHBondContact O-N 3.33Å; A327-A330 WeakPolarHBondContact O-CB 3.15Å; A327-A330 PolarHBondContact O-N 3.01Å; A327-G331 PolarHBondContact O-N 3.43Å; A327-G331 VanDerWaalsContact O-N 3.07Å; A327-E338 HydrophobicContact CB-CG 4.49Å; A327-E338 VanDerWaalsContact O-CB 3.27Å; A327-E338 WeakPolarHBondContact O-CB 3.45Å; A327-E338 VanDerWaalsContact O-CG 3.31Å; A327-E338 WeakPolarHBondContact O-CG 3.38Å; A327-F341 HydrophobicContact CB-CB 4.08Å; A327-F341 HydrophobicContact CB-CD1 4.26Å; A327-F341 HydrophobicContact CB-CD2 3.9Å; A327-F341 HydrophobicContact CB-CE2 4.37Å; A327-F341 HydrophobicContact CB-CG 3.81Å; A327-R372 HydrophobicContact CB-CG 3.44Å; A327-R372 VanDerWaalsContact CB-CG 3.44Å
328Q94.3Very high94.2Very high83 Ų8339.2 Ų39.239%0.38819%0.191SC..Hα-helixtrans-69.1-38.1176.8-63.6173.7-4100111.1T324 K325 G331 R332T324-Q328 HydrophobicContact CG2-CB 3.67Å; K325-Q328 VanDerWaalsContact N-OE1 3.12Å; K325-Q328 WeakPolarHBondContact O-CB 3.45Å; K325-Q328 PolarHBondContact O-N 3.4Å; Q328-G331 PolarHBondContact O-N 3.24Å; Q328-R332 PolarHBondContact O-N 3.12Å
329A96.5Very high93.9Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-63.3-41.9173.600000111.3F307 I320 T324 K325 A326 G331 R332 V376 F384F307-A329 HydrophobicContact CD1-CB 4.27Å; F307-A329 HydrophobicContact CE1-CB 3.79Å; F307-A329 HydrophobicContact CZ-CB 4.44Å; I320-A329 HydrophobicContact CG2-CB 4.22Å; T324-A329 HydrophobicContact CG2-CB 4.16Å; K325-A329 PolarHBondContact O-N 3.19Å; A326-A329 PolarHBondContact O-N 3.04Å; A329-G331 VanDerWaalsContact C-N 3.28Å; A329-G331 PolarHBondContact O-N 3.28Å; A329-R332 VanDerWaalsContact O-CB 3.29Å; A329-R332 WeakPolarHBondContact O-CB 3.21Å; A329-R332 PolarHBondContact O-N 3.44Å; A329-R332 VanDerWaalsContact O-N 3.08Å; A329-V376 HydrophobicContact CB-CG2 3.69Å; A329-F384 HydrophobicContact CB-CZ 4.12Å
330A96Very high93.8Very high0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-59.4-40.2173.600000111.9A326 A327 R332 I333 H334 F337 F341 F384A326-A330 PolarHBondContact O-N 3.38Å; A327-A330 WeakPolarHBondContact O-CB 3.15Å; A327-A330 PolarHBondContact O-N 3.01Å; A330-R332 PolarHBondContact O-N 3.09Å; A330-R332 VanDerWaalsContact O-N 3.13Å; A330-I333 WeakPolarHBondContact O-CB 3.3Å; A330-I333 PolarHBondContact O-N 3.48Å; A330-H334 PolarHBondContact O-N 2.89Å; A330-F337 HydrophobicContact CB-CB 3.82Å; A330-F341 HydrophobicContact CB-CD2 3.98Å; A330-F341 HydrophobicContact CB-CE2 4.39Å; A330-F384 HydrophobicContact CB-CB 4.44Å; A330-F384 HydrophobicContact CB-CD1 3.51Å; A330-F384 HydrophobicContact CB-CD2 4.05Å; A330-F384 HydrophobicContact CB-CE1 3.6Å; A330-F384 HydrophobicContact CB-CE2 4.12Å; A330-F384 HydrophobicContact CB-CG 3.73Å; A330-F384 HydrophobicContact CB-CZ 3.9Å
331G94.3Very high93.8Very high14 Ų1443.5 Ų43.514%0.14421%0.21CC..Hα-helixtrans-58.1-22.5175.200000114.7A327 Q328 A329 I333 H334A327-G331 PolarHBondContact O-N 3.43Å; A327-G331 VanDerWaalsContact O-N 3.07Å; Q328-G331 PolarHBondContact O-N 3.24Å; A329-G331 VanDerWaalsContact C-N 3.28Å; A329-G331 PolarHBondContact O-N 3.28Å; G331-I333 VanDerWaalsContact C-N 3.34Å; G331-H334 WeakPolarHBondContact CA-O 3.19Å; G331-H334 CarbonylContact O-C 3.59Å
332R93.4Very high93.8Very high114 Ų11448 Ų4843%0.4323%0.233SC..Hα-helixtrans-71.7-28.1174.4-63.2-64.7174.5-178.2-3.4113.3T21 W318 I320 Q328 A329 A330T21-R332 PolarHBondContact OG1-NH1 3.11Å; W318-R332 HydrophobicContact CE3-CB 4.45Å; W318-R332 WeakPolarHBondContact CZ3-O 3.48Å; I320-R332 HydrophobicContact CG2-CG 4.2Å; Q328-R332 PolarHBondContact O-N 3.12Å; A329-R332 VanDerWaalsContact O-CB 3.29Å; A329-R332 WeakPolarHBondContact O-CB 3.21Å; A329-R332 PolarHBondContact O-N 3.44Å; A329-R332 VanDerWaalsContact O-N 3.08Å; A330-R332 PolarHBondContact O-N 3.09Å; A330-R332 VanDerWaalsContact O-N 3.13Å
333I93.3Very high94Very high46 Ų4645.3 Ų45.324%0.23622%0.223CC..Hα-helixtrans-76.3-53.1173.4-56.4-178.9000109.1F307 T309 W318 A330 G331 F337 F384F307-I333 HydrophobicContact CE2-CD1 4.19Å; F307-I333 HydrophobicContact CZ-CD1 4.24Å; F307-I333 HydrophobicContact CZ-CG1 4.28Å; T309-I333 HydrophobicContact CG2-CD1 3.87Å; W318-I333 HydrophobicContact CD2-CG1 3.87Å; W318-I333 HydrophobicContact CE3-CG1 4.1Å; W318-I333 HydrophobicContact CG-CG1 4.48Å; W318-I333 HydrophobicContact CH2-CB 4.05Å; W318-I333 HydrophobicContact CH2-CG1 3.97Å; W318-I333 HydrophobicContact CH2-CG2 3.97Å; W318-I333 HydrophobicContact CZ2-CB 4.19Å; W318-I333 HydrophobicContact CZ2-CD1 4.42Å; W318-I333 HydrophobicContact CZ2-CG1 3.76Å; W318-I333 HydrophobicContact CZ2-CG2 3.96Å; W318-I333 HydrophobicContact CZ3-CB 4.37Å; W318-I333 HydrophobicContact CZ3-CG1 4.15Å; A330-I333 WeakPolarHBondContact O-CB 3.3Å; A330-I333 PolarHBondContact O-N 3.48Å; G331-I333 VanDerWaalsContact C-N 3.34Å; I333-F337 HydrophobicContact CB-CD2 4.16Å; I333-F337 HydrophobicContact CB-CE2 4.27Å; I333-F337 HydrophobicContact CD1-CD2 4.46Å; I333-F337 HydrophobicContact CD1-CE2 4.4Å; I333-F337 HydrophobicContact CG2-CD2 4.22Å; I333-F337 HydrophobicContact CG2-CE2 3.83Å; I333-F337 HydrophobicContact CG2-CZ 4.29Å; I333-F384 HydrophobicContact CD1-CD2 3.62Å; I333-F384 HydrophobicContact CD1-CE2 3.71Å
334H91.2Very high94.2Very high92 Ų9245 Ų4543%0.42622%0.219SC..  trans-157.1138.9178-163.8-94000110.2A330 G331 D336 F337A330-H334 PolarHBondContact O-N 2.89Å; G331-H334 WeakPolarHBondContact CA-O 3.19Å; G331-H334 CarbonylContact O-C 3.59Å; H334-D336 IonicContact CE1-OD2 2.65Å; H334-D336 PolarHBondContact CE1-OD2 2.87Å; H334-D336 WeakPolarHBondContact ND1-CB 3.4Å; H334-D336 PolarHBondContact ND1-N 3.44Å; H334-D336 VanDerWaalsContact ND1-N 3.18Å; H334-D336 IonicContact ND1-OD2 3.1Å; H334-D336 PolarHBondContact O-N 3.49Å; H334-D336 VanDerWaalsContact O-N 3.13Å; H334-F337 HydrophobicContact CB-CD1 3.82Å; H334-F337 HydrophobicContact CB-CE1 4.06Å; H334-F337 HydrophobicContact CB-CG 4.27Å; H334-F337 WeakPolarHBondContact O-CB 3.39Å; H334-F337 PolarHBondContact O-N 3.06Å
335T91.3Very high94.4Very high81 Ų8145.8 Ų45.850%0.49722%0.223SC..Hα-helixtrans-59.8-28.7-178.561.10000113.2F337 E338 K339T335-F337 VanDerWaalsContact C-N 3.31Å; T335-F337 PolarHBondContact O-N 3.49Å; T335-E338 PolarHBondContact O-N 3.32Å; T335-K339 WeakPolarHBondContact O-CG 3.5Å; T335-K339 PolarHBondContact O-N 3.24Å
336D90.6Very high94.5Very high45 Ų4544.2 Ų44.224%0.24122%0.216CC..Hα-helixtrans-69.9-25.4175.7-65-21.4000113.4H334 E338 K339 G340 G391H334-D336 IonicContact CE1-OD2 2.65Å; H334-D336 PolarHBondContact CE1-OD2 2.87Å; H334-D336 WeakPolarHBondContact ND1-CB 3.4Å; H334-D336 PolarHBondContact ND1-N 3.44Å; H334-D336 VanDerWaalsContact ND1-N 3.18Å; H334-D336 IonicContact ND1-OD2 3.1Å; H334-D336 PolarHBondContact O-N 3.49Å; H334-D336 VanDerWaalsContact O-N 3.13Å; D336-E338 VanDerWaalsContact C-N 3.31Å; D336-E338 PolarHBondContact O-N 3.11Å; D336-K339 PolarHBondContact O-N 3.3Å; D336-K339 IonicContact OD1-NZ 2.76Å; D336-G340 WeakPolarHBondContact O-CA 3.38Å; D336-G340 PolarHBondContact O-N 3.13Å; D336-G391 WeakPolarHBondContact OD1-CA 3.37Å
337F92.9Very high94.5Very high43 Ų4344.4 Ų44.419%0.18922%0.217CC..Hα-helixtrans-68.3-35.8176.6-73.825.8000110.5A330 I333 H334 T335 F341 F384 F386A330-F337 HydrophobicContact CB-CB 3.82Å; I333-F337 HydrophobicContact CB-CD2 4.16Å; I333-F337 HydrophobicContact CB-CE2 4.27Å; I333-F337 HydrophobicContact CD1-CD2 4.46Å; I333-F337 HydrophobicContact CD1-CE2 4.4Å; I333-F337 HydrophobicContact CG2-CD2 4.22Å; I333-F337 HydrophobicContact CG2-CE2 3.83Å; I333-F337 HydrophobicContact CG2-CZ 4.29Å; H334-F337 HydrophobicContact CB-CD1 3.82Å; H334-F337 HydrophobicContact CB-CE1 4.06Å; H334-F337 HydrophobicContact CB-CG 4.27Å; H334-F337 WeakPolarHBondContact O-CB 3.39Å; H334-F337 PolarHBondContact O-N 3.06Å; T335-F337 VanDerWaalsContact C-N 3.31Å; T335-F337 PolarHBondContact O-N 3.49Å; F337-F341 WeakPolarHBondContact O-CA 3.4Å; F337-F341 VanDerWaalsContact O-CB 3.28Å; F337-F341 WeakPolarHBondContact O-CB 3.33Å; F337-F341 PolarHBondContact O-N 3.08Å; F337-F384 HydrophobicContact CD2-CB 4.05Å; F337-F384 HydrophobicContact CD2-CD2 4.48Å; F337-F384 HydrophobicContact CE2-CB 4.5Å; F337-F386 HydrophobicContact CB-CG 4.48Å; F337-F386 AromaticContact CD1-CD1 3.59Å; F337-F386 HydrophobicContact CD1-CD1 3.59Å; F337-F386 AromaticContact CD1-CD2 3.81Å; F337-F386 HydrophobicContact CD1-CD2 3.81Å; F337-F386 AromaticContact CD1-CE1 3.55Å; F337-F386 HydrophobicContact CD1-CE1 3.55Å; F337-F386 AromaticContact CD1-CE2 3.75Å; F337-F386 HydrophobicContact CD1-CE2 3.75Å; F337-F386 AromaticContact CD1-CG 3.74Å; F337-F386 HydrophobicContact CD1-CG 3.74Å; F337-F386 AromaticContact CD1-CZ 3.64Å; F337-F386 HydrophobicContact CD1-CZ 3.64Å; F337-F386 HydrophobicContact CD2-CD1 4.09Å; F337-F386 HydrophobicContact CD2-CE1 4.3Å; F337-F386 AromaticContact CE1-CD1 3.66Å; F337-F386 HydrophobicContact CE1-CD1 3.66Å; F337-F386 HydrophobicContact CE1-CD2 4.17Å; F337-F386 AromaticContact CE1-CE1 3.1Å; F337-F386 HydrophobicContact CE1-CE1 3.1Å; F337-F386 AromaticContact CE1-CE2 3.67Å; F337-F386 HydrophobicContact CE1-CE2 3.67Å; F337-F386 HydrophobicContact CE1-CG 4.18Å; F337-F386 AromaticContact CE1-CZ 3.11Å; F337-F386 HydrophobicContact CE1-CZ 3.11Å; F337-F386 HydrophobicContact CE2-CD1 4.11Å; F337-F386 AromaticContact CE2-CE1 3.9Å; F337-F386 HydrophobicContact CE2-CE1 3.9Å; F337-F386 AromaticContact CG-CD1 3.83Å; F337-F386 HydrophobicContact CG-CD1 3.83Å; F337-F386 HydrophobicContact CG-CE1 4.15Å; F337-F386 HydrophobicContact CG-CG 4.07Å; F337-F386 AromaticContact CZ-CD1 3.91Å; F337-F386 HydrophobicContact CZ-CD1 3.91Å; F337-F386 AromaticContact CZ-CE1 3.28Å; F337-F386 HydrophobicContact CZ-CE1 3.28Å; F337-F386 AromaticContact CZ-CZ 3.72Å; F337-F386 HydrophobicContact CZ-CZ 3.72Å
338E93.2Very high94.6Very high73 Ų7345.9 Ų45.934%0.34122%0.222SC..Hα-helixtrans-71.3-43.7175.7179.8168.1-161.700112.2A327 T335 D336 R372A327-E338 HydrophobicContact CB-CG 4.49Å; A327-E338 VanDerWaalsContact O-CB 3.27Å; A327-E338 WeakPolarHBondContact O-CB 3.45Å; A327-E338 VanDerWaalsContact O-CG 3.31Å; A327-E338 WeakPolarHBondContact O-CG 3.38Å; T335-E338 PolarHBondContact O-N 3.32Å; D336-E338 VanDerWaalsContact C-N 3.31Å; D336-E338 PolarHBondContact O-N 3.11Å; E338-R372 PolarHBondContact O-NH2 2.73Å
339K92.3Very high94.7Very high126 Ų12642.7 Ų42.755%0.54821%0.207SC..Hα-helixtrans-65-44.3178.3-69.4174.9-173.5164.80111.8T335 D336T335-K339 WeakPolarHBondContact O-CG 3.5Å; T335-K339 PolarHBondContact O-N 3.24Å; D336-K339 PolarHBondContact O-N 3.3Å; D336-K339 IonicContact OD1-NZ 2.76Å
340G93.5Very high94.7Very high6 Ų648.5 Ų48.56%0.06224%0.238CC..THydrogen-bonded Turntrans-93.911.3-178.400000114.5D336 I342 F386 N387D336-G340 WeakPolarHBondContact O-CA 3.38Å; D336-G340 PolarHBondContact O-N 3.13Å; G340-I342 PolarHBondContact O-N 2.98Å; G340-F386 CarbonylContact O-C 3.59Å; G340-F386 WeakPolarHBondContact O-CA 3.46Å; G340-F386 WeakPolarHBondContact O-CB 3.41Å; G340-N387 PolarHBondContact O-N 3.28Å
341F96Very high94.8Very high27 Ų2749.8 Ų49.812%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-53124.2-173.1-175.8-86.2000112A326 A327 A330 F337 M343 A344 R372 F384A326-F341 HydrophobicContact CB-CE2 3.96Å; A326-F341 HydrophobicContact CB-CZ 3.73Å; A327-F341 HydrophobicContact CB-CB 4.08Å; A327-F341 HydrophobicContact CB-CD1 4.26Å; A327-F341 HydrophobicContact CB-CD2 3.9Å; A327-F341 HydrophobicContact CB-CE2 4.37Å; A327-F341 HydrophobicContact CB-CG 3.81Å; A330-F341 HydrophobicContact CB-CD2 3.98Å; A330-F341 HydrophobicContact CB-CE2 4.39Å; F337-F341 WeakPolarHBondContact O-CA 3.4Å; F337-F341 VanDerWaalsContact O-CB 3.28Å; F337-F341 WeakPolarHBondContact O-CB 3.33Å; F337-F341 PolarHBondContact O-N 3.08Å; F341-M343 VanDerWaalsContact CZ-C 3.49Å; F341-A344 HydrophobicContact CE2-CB 4.25Å; F341-A344 HydrophobicContact CZ-CB 4.11Å; F341-R372 HydrophobicContact CD1-CB 4.26Å; F341-R372 HydrophobicContact CD1-CG 3.98Å; F341-R372 HydrophobicContact CE1-CB 4.17Å; F341-R372 HydrophobicContact CE1-CG 4.28Å; F341-F384 HydrophobicContact CD2-CD1 4.32Å; F341-F384 AromaticContact CE2-CD1 3.78Å; F341-F384 HydrophobicContact CE2-CD1 3.78Å; F341-F384 HydrophobicContact CE2-CE1 4.05Å
342I95.7Very high94.9Very high103 Ų10349.1 Ų49.153%0.52824%0.237SC..EExtended strand (participates in β ladder)trans-102.4-58.3172.2-59.4170.3000108.6G340 K385 N387G340-I342 PolarHBondContact O-N 2.98Å; I342-K385 HydrophobicContact CB-CB 4.25Å; I342-K385 WeakPolarHBondContact CB-O 3.44Å; I342-K385 PolarHBondContact N-O 3.1Å; I342-N387 HydrophobicContact CD1-CB 4.32Å
343M95.9Very high94.9Very high44 Ų4448.9 Ų48.922%0.21724%0.239CC..EExtended strand (participates in β ladder)trans-160.8163.6179.657.3172.136.900111.8F341 Q369 Q370 K385F341-M343 VanDerWaalsContact CZ-C 3.49Å; M343-Q369 HydrophobicContact CE-CB 3.75Å; M343-Q369 HydrophobicContact CE-CG 4.02Å; M343-Q369 HydrophobicContact SD-CB 4.02Å; M343-Q369 VanDerWaalsContact SD-CD 3.57Å; M343-Q369 HydrophobicContact SD-CG 3.75Å; M343-Q370 WeakPolarHBondContact CA-O 3.48Å; M343-Q370 WeakPolarHBondContact CB-O 3.37Å; M343-K385 HydrophobicContact CG-CB 3.86Å; M343-K385 HydrophobicContact CG-CG 3.94Å; M343-K385 PolarHBondContact N-O 3.11Å; M343-K385 PolarHBondContact O-N 3.18Å
344A97.8Very high95Very high0 Ų050.6 Ų50.60%026%0.255CS..EExtended strand (participates in β ladder)trans-107.2120.6167.200000109A326 F341 V346 Q370 I382 F384A326-A344 HydrophobicContact CB-CB 4.16Å; F341-A344 HydrophobicContact CE2-CB 4.25Å; F341-A344 HydrophobicContact CZ-CB 4.11Å; A344-V346 HydrophobicContact CB-CG2 3.9Å; A344-Q370 HydrophobicContact CB-CB 4.33Å; A344-Q370 PolarHBondContact N-O 3.48Å; A344-Q370 PolarHBondContact O-N 3.27Å; A344-I382 HydrophobicContact CB-CG2 3.84Å; A344-F384 HydrophobicContact CB-CD1 3.84Å; A344-F384 HydrophobicContact CB-CE1 3.79Å
345E97.3Very high95.2Very high26 Ų2649.3 Ų49.312%0.12125%0.25CC..EExtended strand (participates in β ladder)trans-83.5111167.6-66.6-179.1155.500107.8Y367 R368 Q369 I382 L383 K385E345-Y367 HydrophobicContact CB-CE1 3.6Å; E345-Y367 WeakPolarHBondContact CB-OH 3.42Å; E345-Y367 HydrophobicContact CG-CE1 3.96Å; E345-Y367 PolarHBondContact OE2-OH 3.24Å; E345-R368 CarbonylContact C-O 3.57Å; E345-R368 WeakPolarHBondContact CA-O 3.45Å; E345-Q369 HydrophobicContact CG-CG 4.45Å; E345-I382 WeakPolarHBondContact O-CA 3.09Å; E345-L383 HydrophobicContact CB-CB 4.25Å; E345-L383 WeakPolarHBondContact CB-O 3.48Å; E345-L383 PolarHBondContact N-O 3.4Å; E345-L383 PolarHBondContact O-N 3.47Å; E345-L383 WeakPolarHBondContact OE2-CD2 3.44Å; E345-K385 HydrophobicContact CG-CG 4.47Å; E345-K385 WeakPolarHBondContact OE1-CE 3.47Å; E345-K385 IonicContact OE1-NZ 2.55Å; E345-K385 WeakPolarHBondContact OE2-CE 3.42Å; E345-K385 IonicContact OE2-NZ 2.74Å; E345-K385 PolarHBondContact OE2-NZ 3.03Å; E345-K385 VanDerWaalsContact OE2-NZ 3.14Å
346V97.6Very high95.2Very high0 Ų047.2 Ų47.20%024%0.244CC..EExtended strand (participates in β ladder)trans-117.6130-169.9-175.90000110A344 R368 Q370 Y374 D380 I382A344-V346 HydrophobicContact CB-CG2 3.9Å; V346-R368 PolarHBondContact N-O 3.05Å; V346-R368 PolarHBondContact O-N 3.34Å; V346-Q370 HydrophobicContact CB-CG 4.2Å; V346-Q370 HydrophobicContact CG2-CB 4.11Å; V346-Q370 HydrophobicContact CG2-CG 3.8Å; V346-Y374 HydrophobicContact CG1-CE1 4.35Å; V346-Y374 HydrophobicContact CG2-CD1 4.43Å; V346-Y374 HydrophobicContact CG2-CE1 4.03Å; V346-D380 HydrophobicContact CG1-CB 4.02Å; V346-I382 HydrophobicContact CG1-CG1 4.43Å; V346-I382 HydrophobicContact CG2-CD1 4.37Å; V346-I382 HydrophobicContact CG2-CG1 4.16Å; V346-I382 HydrophobicContact CG2-CG2 4.32Å
347M96.5Very high95.3Very high5 Ų547.1 Ų47.13%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-124.1143.9163.961.9-174.3176.400109.8L352 E358 V361 Y367 I381M347-L352 HydrophobicContact CE-CD1 4.37Å; M347-L352 HydrophobicContact CE-CD2 4.06Å; M347-L352 HydrophobicContact SD-CD1 4.22Å; M347-E358 HydrophobicContact SD-CG 4.21Å; M347-V361 HydrophobicContact CB-CG1 3.96Å; M347-Y367 HydrophobicContact CB-CD2 4.04Å; M347-Y367 HydrophobicContact CB-CE2 4.46Å; M347-Y367 HydrophobicContact CG-CD2 4.48Å; M347-Y367 HydrophobicContact CG-CE2 4.48Å; M347-Y367 HydrophobicContact SD-CD2 4.2Å; M347-Y367 HydrophobicContact SD-CE2 4.12Å; M347-I381 HydrophobicContact CE-CB 3.79Å; M347-I381 HydrophobicContact CE-CD1 3.91Å; M347-I381 HydrophobicContact CE-CG1 4.47Å; M347-I381 HydrophobicContact CE-CG2 3.39Å; M347-I381 HydrophobicContact CG-CB 3.75Å; M347-I381 HydrophobicContact CG-CD1 4.3Å; M347-I381 HydrophobicContact CG-CG1 4.49Å; M347-I381 HydrophobicContact CG-CG2 4.36Å; M347-I381 PolarHBondContact N-O 3.34Å; M347-I381 PolarHBondContact O-N 3.48Å
348K97.4Very high95.3Very high36 Ų3648 Ų4816%0.15725%0.252CS..EExtended strand (participates in β ladder)trans-79.3144.4176.8-56.3-64.3177.6174.80109.9D350 E351 L352 Y374 E377 D380K348-D350 VanDerWaalsContact C-N 3.31Å; K348-D350 PolarHBondContact O-N 3.37Å; K348-E351 HydrophobicContact CB-CB 4.26Å; K348-E351 HydrophobicContact CB-CG 3.88Å; K348-E351 WeakPolarHBondContact CB-OE2 3.32Å; K348-E351 HydrophobicContact CG-CG 4.45Å; K348-E351 WeakPolarHBondContact CG-OE2 3.32Å; K348-E351 PolarHBondContact N-OE2 2.88Å; K348-E351 WeakPolarHBondContact O-CB 3.3Å; K348-E351 PolarHBondContact O-N 3.14Å; K348-E351 VanDerWaalsContact O-N 3.14Å; K348-L352 PolarHBondContact O-N 3.37Å; K348-L352 VanDerWaalsContact O-N 3.08Å; K348-Y374 PolarHBondContact NZ-OH 3.49Å; K348-E377 IonicContact NZ-OE1 3.1Å; K348-E377 PolarHBondContact NZ-OE1 3.07Å; K348-E377 IonicContact NZ-OE2 3.24Å; K348-E377 PolarHBondContact NZ-OE2 3.13Å; K348-D380 WeakPolarHBondContact CD-OD1 3.22Å; K348-D380 WeakPolarHBondContact CE-OD1 3.41Å; K348-D380 IonicContact NZ-OD1 3.84Å; K348-D380 PolarHBondContact NZ-OD1 3.09Å; K348-D380 IonicContact NZ-OD2 2.91Å
349F97.2Very high95.3Very high16 Ų1648 Ų487%0.0726%0.264CS..Hα-helixtrans-53.3-47.8176.1170.1-94.5000112.3R70 Y73 L74 E351 L352 K353R70-F349 VanDerWaalsContact CA-CE2 3.47Å; R70-F349 HydrophobicContact CB-CD1 4.18Å; R70-F349 HydrophobicContact CB-CD2 3.75Å; R70-F349 HydrophobicContact CB-CE1 4.08Å; R70-F349 HydrophobicContact CB-CE2 3.61Å; R70-F349 HydrophobicContact CB-CG 4.03Å; R70-F349 HydrophobicContact CB-CZ 3.78Å; R70-F349 HydrophobicContact CG-CD1 3.67Å; R70-F349 HydrophobicContact CG-CD2 4.19Å; R70-F349 HydrophobicContact CG-CE1 3.6Å; R70-F349 HydrophobicContact CG-CE2 4.1Å; R70-F349 HydrophobicContact CG-CG 3.98Å; R70-F349 HydrophobicContact CG-CZ 3.82Å; R70-F349 WeakPolarHBondContact O-CE2 3.48Å; Y73-F349 AromaticContact CD1-CE2 3.68Å; Y73-F349 HydrophobicContact CD1-CE2 3.68Å; Y73-F349 HydrophobicContact CD1-CZ 4.03Å; Y73-F349 HydrophobicContact CG-CE2 4.14Å; Y73-F349 HydrophobicContact CG-CZ 4.13Å; L74-F349 HydrophobicContact CD1-CD2 4.37Å; L74-F349 HydrophobicContact CD2-CD2 4.29Å; L74-F349 HydrophobicContact CD2-CE2 4.43Å; L74-F349 HydrophobicContact CG-CD2 4.21Å; L74-F349 HydrophobicContact CG-CE2 4.2Å; F349-E351 PolarHBondContact O-N 3.42Å; F349-L352 PolarHBondContact O-N 2.82Å; F349-K353 HydrophobicContact CE1-CB 4.41Å; F349-K353 HydrophobicContact CE1-CD 3.83Å; F349-K353 HydrophobicContact CZ-CB 4.46Å; F349-K353 HydrophobicContact CZ-CD 3.85Å; F349-K353 WeakPolarHBondContact O-CB 3.48Å; F349-K353 PolarHBondContact O-N 3.38Å
350D96.4Very high95.5Very high121 Ų12143.2 Ų43.265%0.64725%0.248SC*.Hα-helixtrans-62.4-34.3-178.6-65.1-32.2000112.1K348 K353 S354K348-D350 VanDerWaalsContact C-N 3.31Å; K348-D350 PolarHBondContact O-N 3.37Å; D350-K353 PolarHBondContact O-N 3.41Å; D350-S354 VanDerWaalsContact O-CB 3.29Å; D350-S354 WeakPolarHBondContact O-CB 3.39Å; D350-S354 PolarHBondContact O-N 3.14Å; D350-S354 PolarHBondContact O-OG 3.45Å
351E96.3Very high95.6Very high27 Ų2743 Ų4313%0.12625%0.245CC..Hα-helixtrans-68-47176.6-64.5173.4152.200110.7K348 F349 K353 S354 E355 K366 R368K348-E351 HydrophobicContact CB-CB 4.26Å; K348-E351 HydrophobicContact CB-CG 3.88Å; K348-E351 WeakPolarHBondContact CB-OE2 3.32Å; K348-E351 HydrophobicContact CG-CG 4.45Å; K348-E351 WeakPolarHBondContact CG-OE2 3.32Å; K348-E351 PolarHBondContact N-OE2 2.88Å; K348-E351 WeakPolarHBondContact O-CB 3.3Å; K348-E351 PolarHBondContact O-N 3.14Å; K348-E351 VanDerWaalsContact O-N 3.14Å; F349-E351 PolarHBondContact O-N 3.42Å; E351-K353 VanDerWaalsContact C-N 3.34Å; E351-K353 PolarHBondContact O-N 3.09Å; E351-S354 WeakPolarHBondContact CA-OG 3.37Å; E351-S354 PolarHBondContact O-N 2.88Å; E351-S354 PolarHBondContact O-OG 2.83Å; E351-E355 WeakPolarHBondContact O-CB 3.03Å; E351-E355 VanDerWaalsContact O-CG 3.27Å; E351-E355 WeakPolarHBondContact O-CG 3.44Å; E351-E355 PolarHBondContact O-N 3.19Å; E351-K366 HydrophobicContact CB-CB 4.39Å; E351-K366 HydrophobicContact CB-CD 4.12Å; E351-K366 HydrophobicContact CG-CB 4.38Å; E351-K366 HydrophobicContact CG-CD 3.95Å; E351-K366 HydrophobicContact CG-CG 4.46Å; E351-R368 IonicContact OE1-CZ 3.54Å; E351-R368 IonicContact OE1-NH1 3.25Å; E351-R368 PolarHBondContact OE1-NH1 2.63Å; E351-R368 IonicContact OE1-NH2 2.68Å; E351-R368 PolarHBondContact OE1-NH2 2.77Å; E351-R368 IonicContact OE2-CZ 3.38Å; E351-R368 IonicContact OE2-NH1 3.19Å; E351-R368 PolarHBondContact OE2-NH1 3.4Å; E351-R368 IonicContact OE2-NH2 3.78Å
352L96.3Very high95.5Very high0 Ų046.4 Ų46.40%026%0.26CS..Hα-helixtrans-59.3-44.7174.7-179.868.6000111.9L74 Y78 M347 K348 F349 S354 G356 V361 I381L74-L352 HydrophobicContact CD2-CD2 3.64Å; Y78-L352 HydrophobicContact CE2-CD2 4.12Å; M347-L352 HydrophobicContact CE-CD1 4.37Å; M347-L352 HydrophobicContact CE-CD2 4.06Å; M347-L352 HydrophobicContact SD-CD1 4.22Å; K348-L352 PolarHBondContact O-N 3.37Å; K348-L352 VanDerWaalsContact O-N 3.08Å; F349-L352 PolarHBondContact O-N 2.82Å; L352-S354 VanDerWaalsContact C-N 3.34Å; L352-S354 PolarHBondContact O-N 3.46Å; L352-G356 PolarHBondContact O-N 3.4Å; L352-V361 HydrophobicContact CB-CG2 4.36Å; L352-V361 HydrophobicContact CD1-CG2 4.19Å; L352-I381 HydrophobicContact CB-CD1 4.16Å; L352-I381 HydrophobicContact CD2-CD1 3.47Å; L352-I381 VanDerWaalsContact CD2-CD1 3.47Å; L352-I381 HydrophobicContact CG-CD1 4.46Å
353K95.1Very high95.5Very high109 Ų10945.9 Ų45.947%0.47427%0.272SS..Hα-helixtrans-63.3-40.1178.7-172.6172.5-177.3177.20111.8Y73 F349 D350 E351Y73-K353 HydrophobicContact CD2-CD 4.5Å; Y73-K353 HydrophobicContact CE1-CB 4.29Å; Y73-K353 HydrophobicContact CE1-CG 4.31Å; Y73-K353 HydrophobicContact CE2-CD 4.39Å; Y73-K353 HydrophobicContact CE2-CG 4.03Å; F349-K353 HydrophobicContact CE1-CB 4.41Å; F349-K353 HydrophobicContact CE1-CD 3.83Å; F349-K353 HydrophobicContact CZ-CB 4.46Å; F349-K353 HydrophobicContact CZ-CD 3.85Å; F349-K353 WeakPolarHBondContact O-CB 3.48Å; F349-K353 PolarHBondContact O-N 3.38Å; D350-K353 PolarHBondContact O-N 3.41Å; E351-K353 VanDerWaalsContact C-N 3.34Å; E351-K353 PolarHBondContact O-N 3.09Å
354S95.2Very high95.5Very high82 Ų8246 Ų4657%0.57328%0.279SS*.Hα-helixtrans-72.1-38.9179.868.90000114D350 E351 L352D350-S354 VanDerWaalsContact O-CB 3.29Å; D350-S354 WeakPolarHBondContact O-CB 3.39Å; D350-S354 PolarHBondContact O-N 3.14Å; D350-S354 PolarHBondContact O-OG 3.45Å; E351-S354 WeakPolarHBondContact CA-OG 3.37Å; E351-S354 PolarHBondContact O-N 2.88Å; E351-S354 PolarHBondContact O-OG 2.83Å; L352-S354 VanDerWaalsContact C-N 3.34Å; L352-S354 PolarHBondContact O-N 3.46Å
355E94Very high95.4Very high66 Ų6649 Ų4931%0.30831%0.31SS..Hα-helixtrans-88.4-17-175.8-61.6-63.5162.200112.7E351 S357 A360 V361 K366E351-E355 WeakPolarHBondContact O-CB 3.03Å; E351-E355 VanDerWaalsContact O-CG 3.27Å; E351-E355 WeakPolarHBondContact O-CG 3.44Å; E351-E355 PolarHBondContact O-N 3.19Å; E355-S357 PolarHBondContact O-N 3.45Å; E355-S357 VanDerWaalsContact O-N 3.14Å; E355-A360 HydrophobicContact CB-CB 3.81Å; E355-A360 VanDerWaalsContact O-CB 3.3Å; E355-A360 WeakPolarHBondContact O-CB 3.38Å; E355-V361 HydrophobicContact CB-CG2 3.78Å; E355-V361 HydrophobicContact CG-CG2 3.99Å; E355-K366 HydrophobicContact CG-CD 4.42Å; E355-K366 IonicContact OE1-NZ 2.67Å; E355-K366 PolarHBondContact OE1-NZ 2.79Å
356G92.5Very high95.3Very high37 Ų3750.7 Ų50.738%0.38132%0.317SS..SBendtrans76.1-6.9174.100000115.8F77 L352F77-G356 WeakPolarHBondContact CE2-O 3.46Å; F77-G356 WeakPolarHBondContact CZ-O 3.36Å; L352-G356 PolarHBondContact O-N 3.4Å
357S92.2Very high95.1Very high43 Ų4352.7 Ų52.730%0.30133%0.325SS..SBendtrans-160.2155.8171.969.10000112.9E355 A359 A360 V361E355-S357 PolarHBondContact O-N 3.45Å; E355-S357 VanDerWaalsContact O-N 3.14Å; S357-A359 PolarHBondContact O-N 3.46Å; S357-A360 PolarHBondContact O-N 2.8Å; S357-A360 VanDerWaalsContact O-N 3.15Å; S357-A360 WeakPolarHBondContact OG-CB 3.24Å; S357-A360 PolarHBondContact OG-N 2.84Å; S357-A360 VanDerWaalsContact OG-N 3.11Å; S357-V361 WeakPolarHBondContact O-CG2 3.27Å; S357-V361 PolarHBondContact O-N 2.97Å
358E92.1Very high95.1Very high61 Ų6156.7 Ų56.729%0.28534%0.34SS..Hα-helixtrans-59.4-35.2173.7-173.1-175.4148.600112.2M347 V361 K362 Y367M347-E358 HydrophobicContact SD-CG 4.21Å; E358-V361 PolarHBondContact O-N 3.5Å; E358-K362 HydrophobicContact CG-CD 4.49Å; E358-K362 WeakPolarHBondContact O-CG 3.31Å; E358-K362 PolarHBondContact O-N 3.31Å; E358-K362 WeakPolarHBondContact OE1-CE 3.44Å; E358-K362 IonicContact OE1-NZ 3.71Å; E358-K362 PolarHBondContact OE1-NZ 3.31Å; E358-Y367 HydrophobicContact CG-CD2 4.49Å; E358-Y367 HydrophobicContact CG-CE2 4.16Å
359A94.2Very high95.1Very high72 Ų7261 Ų6160%0.59536%0.36SS*.Hα-helixtrans-64.1-41.5176.300000111.8S357 K362 A363S357-A359 PolarHBondContact O-N 3.46Å; A359-K362 PolarHBondContact O-N 2.9Å; A359-A363 WeakPolarHBondContact O-CB 3.31Å; A359-A363 PolarHBondContact O-N 3.02Å
360A95.8Very high95.1Very high27 Ų2762.6 Ų62.622%0.22337%0.368CS..Hα-helixtrans-68-41.617600000111.8E355 S357 K362 A363 A364E355-A360 HydrophobicContact CB-CB 3.81Å; E355-A360 VanDerWaalsContact O-CB 3.3Å; E355-A360 WeakPolarHBondContact O-CB 3.38Å; S357-A360 PolarHBondContact O-N 2.8Å; S357-A360 VanDerWaalsContact O-N 3.15Å; S357-A360 WeakPolarHBondContact OG-CB 3.24Å; S357-A360 PolarHBondContact OG-N 2.84Å; S357-A360 VanDerWaalsContact OG-N 3.11Å; A360-K362 VanDerWaalsContact C-N 3.3Å; A360-K362 PolarHBondContact O-N 3.42Å; A360-A363 PolarHBondContact O-N 3.36Å; A360-A364 WeakPolarHBondContact O-CB 3.35Å; A360-A364 PolarHBondContact O-N 2.65Å
361V95.8Very high95.1Very high0 Ų058.8 Ų58.80%036%0.357CS..Hα-helixtrans-58.1-42.4173.1175.90000111.6M347 L352 E355 S357 E358 A364 G365 K366 Y367M347-V361 HydrophobicContact CB-CG1 3.96Å; L352-V361 HydrophobicContact CB-CG2 4.36Å; L352-V361 HydrophobicContact CD1-CG2 4.19Å; E355-V361 HydrophobicContact CB-CG2 3.78Å; E355-V361 HydrophobicContact CG-CG2 3.99Å; S357-V361 WeakPolarHBondContact O-CG2 3.27Å; S357-V361 PolarHBondContact O-N 2.97Å; E358-V361 PolarHBondContact O-N 3.5Å; V361-A364 PolarHBondContact O-N 3.32Å; V361-G365 PolarHBondContact O-N 2.99Å; V361-K366 HydrophobicContact CG1-CB 3.83Å; V361-K366 PolarHBondContact O-N 2.75Å; V361-Y367 HydrophobicContact CG1-CD2 4.46Å
362K95Very high95Very high99 Ų9964.2 Ų64.243%0.4338%0.377SS..Hα-helixtrans-64.7-46.1175-76.1175.4-175.7172.10111.8E358 A359 A360 A364 G365 Y367E358-K362 HydrophobicContact CG-CD 4.49Å; E358-K362 WeakPolarHBondContact O-CG 3.31Å; E358-K362 PolarHBondContact O-N 3.31Å; E358-K362 WeakPolarHBondContact OE1-CE 3.44Å; E358-K362 IonicContact OE1-NZ 3.71Å; E358-K362 PolarHBondContact OE1-NZ 3.31Å; A359-K362 PolarHBondContact O-N 2.9Å; A360-K362 VanDerWaalsContact C-N 3.3Å; A360-K362 PolarHBondContact O-N 3.42Å; K362-A364 VanDerWaalsContact C-N 3.27Å; K362-A364 PolarHBondContact O-N 2.99Å; K362-G365 PolarHBondContact O-N 3.39Å; K362-G365 VanDerWaalsContact O-N 3.09Å; K362-Y367 HydrophobicContact CD-CD1 4.46Å; K362-Y367 HydrophobicContact CD-CG 4.37Å; K362-Y367 HydrophobicContact CG-CD1 4.01Å; K362-Y367 HydrophobicContact CG-CD2 3.91Å; K362-Y367 HydrophobicContact CG-CG 3.57Å
363A95.8Very high94.9Very high93 Ų9368.9 Ų68.977%0.76940%0.402SS*.Hα-helixtrans-62.5-33.6177.900000112.7A359 A360 G365A359-A363 WeakPolarHBondContact O-CB 3.31Å; A359-A363 PolarHBondContact O-N 3.02Å; A360-A363 PolarHBondContact O-N 3.36Å; A363-G365 PolarHBondContact O-N 3.42Å
364A96Very high94.9Very high46 Ų4665.2 Ų65.238%0.3839%0.385SS..THydrogen-bonded Turntrans-78.1-0.717600000114.1A360 V361 K362 K366A360-A364 WeakPolarHBondContact O-CB 3.35Å; A360-A364 PolarHBondContact O-N 2.65Å; V361-A364 PolarHBondContact O-N 3.32Å; K362-A364 VanDerWaalsContact C-N 3.27Å; K362-A364 PolarHBondContact O-N 2.99Å; A364-K366 HydrophobicContact CB-CD 4.04Å; A364-K366 HydrophobicContact CB-CG 4.22Å; A364-K366 PolarHBondContact O-N 2.71Å
365G94.2Very high95Very high62 Ų6263.7 Ų63.764%0.63937%0.372SS*.THydrogen-bonded Turntrans69.817-178.500000114.4V361 K362 A363V361-G365 PolarHBondContact O-N 2.99Å; K362-G365 PolarHBondContact O-N 3.39Å; K362-G365 VanDerWaalsContact O-N 3.09Å; A363-G365 PolarHBondContact O-N 3.42Å
366K94.7Very high95.2Very high63 Ų6360.6 Ų60.627%0.27436%0.358SS..  trans-92.3-6.4-178.2-69.5172.6178.9175.80113.1E351 E355 V361 A364 R368E351-K366 HydrophobicContact CB-CB 4.39Å; E351-K366 HydrophobicContact CB-CD 4.12Å; E351-K366 HydrophobicContact CG-CB 4.38Å; E351-K366 HydrophobicContact CG-CD 3.95Å; E351-K366 HydrophobicContact CG-CG 4.46Å; E355-K366 HydrophobicContact CG-CD 4.42Å; E355-K366 IonicContact OE1-NZ 2.67Å; E355-K366 PolarHBondContact OE1-NZ 2.79Å; V361-K366 HydrophobicContact CG1-CB 3.83Å; V361-K366 PolarHBondContact O-N 2.75Å; A364-K366 HydrophobicContact CB-CD 4.04Å; A364-K366 HydrophobicContact CB-CG 4.22Å; A364-K366 PolarHBondContact O-N 2.71Å; K366-R368 PolarHBondContact O-N 3.28Å; K366-R368 PolarHBondContact O-NH1 3.46Å
367Y94.9Very high95.4Very high42 Ų4263.7 Ų63.717%0.16536%0.362CS..  trans-86.5104.9174.4-162.2-95.1000110.5E345 M347 E358 V361 K362E345-Y367 HydrophobicContact CB-CE1 3.6Å; E345-Y367 WeakPolarHBondContact CB-OH 3.42Å; E345-Y367 HydrophobicContact CG-CE1 3.96Å; E345-Y367 PolarHBondContact OE2-OH 3.24Å; M347-Y367 HydrophobicContact CB-CD2 4.04Å; M347-Y367 HydrophobicContact CB-CE2 4.46Å; M347-Y367 HydrophobicContact CG-CD2 4.48Å; M347-Y367 HydrophobicContact CG-CE2 4.48Å; M347-Y367 HydrophobicContact SD-CD2 4.2Å; M347-Y367 HydrophobicContact SD-CE2 4.12Å; E358-Y367 HydrophobicContact CG-CD2 4.49Å; E358-Y367 HydrophobicContact CG-CE2 4.16Å; V361-Y367 HydrophobicContact CG1-CD2 4.46Å; K362-Y367 HydrophobicContact CD-CD1 4.46Å; K362-Y367 HydrophobicContact CD-CG 4.37Å; K362-Y367 HydrophobicContact CG-CD1 4.01Å; K362-Y367 HydrophobicContact CG-CD2 3.91Å; K362-Y367 HydrophobicContact CG-CG 3.57Å
368R96.7Very high95.6Very high88 Ų8864.7 Ų64.733%0.33237%0.365SS..EExtended strand (participates in β ladder)trans-102141.1-166.9-61174.3-171.285.2-5.4111.5E345 V346 E351 K366 Q370E345-R368 CarbonylContact C-O 3.57Å; E345-R368 WeakPolarHBondContact CA-O 3.45Å; V346-R368 PolarHBondContact N-O 3.05Å; V346-R368 PolarHBondContact O-N 3.34Å; E351-R368 IonicContact OE1-CZ 3.54Å; E351-R368 IonicContact OE1-NH1 3.25Å; E351-R368 PolarHBondContact OE1-NH1 2.63Å; E351-R368 IonicContact OE1-NH2 2.68Å; E351-R368 PolarHBondContact OE1-NH2 2.77Å; E351-R368 IonicContact OE2-CZ 3.38Å; E351-R368 IonicContact OE2-NH1 3.19Å; E351-R368 PolarHBondContact OE2-NH1 3.4Å; E351-R368 IonicContact OE2-NH2 3.78Å; K366-R368 PolarHBondContact O-N 3.28Å; K366-R368 PolarHBondContact O-NH1 3.46Å; R368-Q370 HydrophobicContact CB-CG 4.48Å
369Q96.9Very high95.9Very high127 Ų12762 Ų6259%0.59335%0.352SS*.EExtended strand (participates in β ladder)trans-97.4116.9168.8-71-178.3-1100109.3M343 E345M343-Q369 HydrophobicContact CE-CB 3.75Å; M343-Q369 HydrophobicContact CE-CG 4.02Å; M343-Q369 HydrophobicContact SD-CB 4.02Å; M343-Q369 VanDerWaalsContact SD-CD 3.57Å; M343-Q369 HydrophobicContact SD-CG 3.75Å; E345-Q369 HydrophobicContact CG-CG 4.45Å
370Q97.4Very high96.1Very high49 Ų4958.6 Ų58.623%0.22932%0.324CS..EExtended strand (participates in β ladder)trans-111137.4-174.5-66.6-63.6-5.700111.8M343 A344 V346 R368 Y374M343-Q370 WeakPolarHBondContact CA-O 3.48Å; M343-Q370 WeakPolarHBondContact CB-O 3.37Å; A344-Q370 HydrophobicContact CB-CB 4.33Å; A344-Q370 PolarHBondContact N-O 3.48Å; A344-Q370 PolarHBondContact O-N 3.27Å; V346-Q370 HydrophobicContact CB-CG 4.2Å; V346-Q370 HydrophobicContact CG2-CB 4.11Å; V346-Q370 HydrophobicContact CG2-CG 3.8Å; R368-Q370 HydrophobicContact CB-CG 4.48Å; Q370-Y374 HydrophobicContact CB-CD1 3.9Å; Q370-Y374 HydrophobicContact CB-CD2 4.25Å; Q370-Y374 HydrophobicContact CB-CG 3.69Å; Q370-Y374 VanDerWaalsContact CD-CD2 3.41Å; Q370-Y374 HydrophobicContact CG-CD1 3.92Å; Q370-Y374 HydrophobicContact CG-CD2 3.77Å; Q370-Y374 HydrophobicContact CG-CE1 4.21Å; Q370-Y374 HydrophobicContact CG-CE2 4.08Å; Q370-Y374 HydrophobicContact CG-CG 3.69Å
371G96.1Very high96.2Very high41 Ų4157.5 Ų57.542%0.42332%0.315SS..  trans-81.1-177.1178.100000113.3N373 Y374G371-N373 PolarHBondContact O-N 3.41Å; G371-N373 VanDerWaalsContact O-N 3.14Å; G371-Y374 PolarHBondContact O-N 3.11Å
372R94.8Very high96.3Very high142 Ų14257.8 Ų57.854%0.53632%0.316SS..THydrogen-bonded Turntrans-56.9-33.1-175.2-147.4-176.8-155-171.45.4114.5A327 E338 F341A327-R372 HydrophobicContact CB-CG 3.44Å; A327-R372 VanDerWaalsContact CB-CG 3.44Å; E338-R372 PolarHBondContact O-NH2 2.73Å; F341-R372 HydrophobicContact CD1-CB 4.26Å; F341-R372 HydrophobicContact CD1-CG 3.98Å; F341-R372 HydrophobicContact CE1-CB 4.17Å; F341-R372 HydrophobicContact CE1-CG 4.28Å
373N93Very high96.4Very high98 Ų9857.3 Ų57.352%0.52432%0.318SS..THydrogen-bonded Turntrans-93.4-0.8-171.1-65-25.7000113.9K325 G371 T375K325-N373 WeakPolarHBondContact CD-O 3.45Å; K325-N373 PolarHBondContact NZ-O 3.32Å; G371-N373 PolarHBondContact O-N 3.41Å; G371-N373 VanDerWaalsContact O-N 3.14Å; N373-T375 PolarHBondContact O-N 3.41Å
374Y96.8Very high96.4Very high31 Ų3153.5 Ų53.512%0.12228%0.284CS..PPolyproline II helixtrans-60128.7173.6173.4-107.4000109.6K325 A326 V346 K348 Q370 G371 V376 D380K325-Y374 CarbonylContact C-O 3.48Å; K325-Y374 VanDerWaalsContact CA-O 3.29Å; K325-Y374 WeakPolarHBondContact CA-O 3.46Å; A326-Y374 HydrophobicContact CB-CD1 4.27Å; A326-Y374 PolarHBondContact N-O 3.45Å; V346-Y374 HydrophobicContact CG1-CE1 4.35Å; V346-Y374 HydrophobicContact CG2-CD1 4.43Å; V346-Y374 HydrophobicContact CG2-CE1 4.03Å; K348-Y374 PolarHBondContact NZ-OH 3.49Å; Q370-Y374 HydrophobicContact CB-CD1 3.9Å; Q370-Y374 HydrophobicContact CB-CD2 4.25Å; Q370-Y374 HydrophobicContact CB-CG 3.69Å; Q370-Y374 VanDerWaalsContact CD-CD2 3.41Å; Q370-Y374 HydrophobicContact CG-CD1 3.92Å; Q370-Y374 HydrophobicContact CG-CD2 3.77Å; Q370-Y374 HydrophobicContact CG-CE1 4.21Å; Q370-Y374 HydrophobicContact CG-CE2 4.08Å; Q370-Y374 HydrophobicContact CG-CG 3.69Å; G371-Y374 PolarHBondContact O-N 3.11Å; Y374-V376 HydrophobicContact CD1-CG2 4.43Å; Y374-V376 HydrophobicContact CE1-CG2 4.49Å; Y374-D380 VanDerWaalsContact CE1-OD2 3.3Å; Y374-D380 WeakPolarHBondContact CE1-OD2 3.34Å; Y374-D380 PolarHBondContact OH-OD2 3.45Å
375T96.6Very high96.3Very high50 Ų5055.1 Ų55.131%0.30728%0.283SS..BIsolated β-bridgetrans-79.5119171.9-57.30000107.2K325 N373 E377K325-T375 PolarHBondContact NZ-OG1 2.98Å; N373-T375 PolarHBondContact O-N 3.41Å; T375-E377 PolarHBondContact O-N 3.46Å
376V96.9Very high96.2Very high1 Ų155.6 Ų55.61%0.00627%0.267CS..PPolyproline II helixtrans-65.7132.4176.8177.10000108.8F307 I320 T324 A326 A329 Y374 D380 I382F307-V376 HydrophobicContact CB-CG1 3.84Å; F307-V376 HydrophobicContact CD1-CG1 4.18Å; F307-V376 HydrophobicContact CG-CG1 4.3Å; I320-V376 HydrophobicContact CD1-CB 3.71Å; I320-V376 HydrophobicContact CD1-CG1 3.52Å; T324-V376 PolarHBondContact O-N 2.95Å; A326-V376 HydrophobicContact CB-CG2 4.42Å; A329-V376 HydrophobicContact CB-CG2 3.69Å; Y374-V376 HydrophobicContact CD1-CG2 4.43Å; Y374-V376 HydrophobicContact CE1-CG2 4.49Å; V376-D380 HydrophobicContact CG1-CB 4.31Å; V376-I382 HydrophobicContact CG1-CD1 3.77Å; V376-I382 HydrophobicContact CG2-CD1 4.07Å
377E96.6Very high96Very high102 Ų10257.2 Ų57.248%0.47728%0.279SS..PPolyproline II helixtrans-99.7152.2178.4-66.4173.7-145.500110.5K348 T375 G379 D380K348-E377 IonicContact NZ-OE1 3.1Å; K348-E377 PolarHBondContact NZ-OE1 3.07Å; K348-E377 IonicContact NZ-OE2 3.24Å; K348-E377 PolarHBondContact NZ-OE2 3.13Å; T375-E377 PolarHBondContact O-N 3.46Å; E377-G379 PolarHBondContact O-N 2.86Å; E377-D380 PolarHBondContact N-OD2 3.3Å; E377-D380 WeakPolarHBondContact O-CB 3.16Å; E377-D380 VanDerWaalsContact O-CG 3.3Å; E377-D380 PolarHBondContact O-N 3.48Å; E377-D380 VanDerWaalsContact O-N 3.14Å
378D97.6Very high95.1Very high65 Ų6558.4 Ų58.435%0.34830%0.297SS..THydrogen-bonded Turntrans-60.4128178.8-172.464.7000111.5R70 E305 Y306 D380R70-D378 IonicContact CZ-OD2 2.7Å; R70-D378 VanDerWaalsContact CZ-OD2 3.24Å; R70-D378 IonicContact NH1-OD2 3.39Å; R70-D378 PolarHBondContact NH1-OD2 2.9Å; R70-D378 IonicContact NH2-OD1 3.88Å; R70-D378 IonicContact NH2-OD2 3.95Å; R70-D378 PolarHBondContact NH2-OD2 2.91Å; E305-D378 WeakPolarHBondContact CA-OD1 3.34Å; E305-D378 HydrophobicContact CB-CB 4.01Å; E305-D378 WeakPolarHBondContact CB-OD1 3.44Å; E305-D378 HydrophobicContact CG-CB 3.99Å; Y306-D378 PolarHBondContact N-OD1 2.76Å; D378-D380 VanDerWaalsContact C-N 3.33Å
379G97.6Very high93.7Very high3 Ų355.8 Ų55.83%0.03130%0.297CS..THydrogen-bonded Turntrans806.8-177.900000115.4Y306 E377 I381Y306-G379 PolarHBondContact O-N 3.34Å; E377-G379 PolarHBondContact O-N 2.86Å; G379-I381 PolarHBondContact O-N 3.37Å
380D98.4Very high92Very high1 Ų151.4 Ų51.41%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-54.5137.1169.2-83.8-11.8000110.5F307 F308 V346 K348 Y374 V376 E377 D378 I382F307-D380 CarbonylContact C-O 3.47Å; F307-D380 VanDerWaalsContact CA-O 3.27Å; F307-D380 WeakPolarHBondContact CA-O 3.29Å; F307-D380 HydrophobicContact CB-CB 4.18Å; F307-D380 VanDerWaalsContact CB-O 3.3Å; F307-D380 WeakPolarHBondContact CB-O 3.41Å; F308-D380 PolarHBondContact N-O 3.03Å; V346-D380 HydrophobicContact CG1-CB 4.02Å; K348-D380 WeakPolarHBondContact CD-OD1 3.22Å; K348-D380 WeakPolarHBondContact CE-OD1 3.41Å; K348-D380 IonicContact NZ-OD1 3.84Å; K348-D380 PolarHBondContact NZ-OD1 3.09Å; K348-D380 IonicContact NZ-OD2 2.91Å; Y374-D380 VanDerWaalsContact CE1-OD2 3.3Å; Y374-D380 WeakPolarHBondContact CE1-OD2 3.34Å; Y374-D380 PolarHBondContact OH-OD2 3.45Å; V376-D380 HydrophobicContact CG1-CB 4.31Å; E377-D380 PolarHBondContact N-OD2 3.3Å; E377-D380 WeakPolarHBondContact O-CB 3.16Å; E377-D380 VanDerWaalsContact O-CG 3.3Å; E377-D380 PolarHBondContact O-N 3.48Å; E377-D380 VanDerWaalsContact O-N 3.14Å; D378-D380 VanDerWaalsContact C-N 3.33Å; D380-I382 HydrophobicContact CB-CD1 3.84Å; D380-I382 HydrophobicContact CB-CG1 3.78Å
381I98.2Very high90Very high4 Ų449.9 Ų49.92%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-102.8117.3170.1-49.1168.6000107.3L74 F308 T310 M347 L352 G379L74-I381 HydrophobicContact CD1-CD1 4.28Å; L74-I381 HydrophobicContact CD1-CG1 4.37Å; L74-I381 HydrophobicContact CD2-CD1 3.73Å; F308-I381 HydrophobicContact CB-CG1 4.31Å; F308-I381 HydrophobicContact CD2-CG1 4.35Å; F308-I381 WeakPolarHBondContact O-CA 3.33Å; T310-I381 HydrophobicContact CG2-CG2 3.75Å; T310-I381 WeakPolarHBondContact OG1-CG2 3.3Å; M347-I381 HydrophobicContact CE-CB 3.79Å; M347-I381 HydrophobicContact CE-CD1 3.91Å; M347-I381 HydrophobicContact CE-CG1 4.47Å; M347-I381 HydrophobicContact CE-CG2 3.39Å; M347-I381 HydrophobicContact CG-CB 3.75Å; M347-I381 HydrophobicContact CG-CD1 4.3Å; M347-I381 HydrophobicContact CG-CG1 4.49Å; M347-I381 HydrophobicContact CG-CG2 4.36Å; M347-I381 PolarHBondContact N-O 3.34Å; M347-I381 PolarHBondContact O-N 3.48Å; L352-I381 HydrophobicContact CB-CD1 4.16Å; L352-I381 HydrophobicContact CD2-CD1 3.47Å; L352-I381 VanDerWaalsContact CD2-CD1 3.47Å; L352-I381 HydrophobicContact CG-CD1 4.46Å; G379-I381 PolarHBondContact O-N 3.37Å
382I98Very high88Confident7 Ų755.1 Ų55.14%0.03630%0.298CS..EExtended strand (participates in β ladder)trans-124.9132.4-165.1-50.4-175.4000111.9F307 F308 A344 E345 V346 V376 D380 F384F307-I382 HydrophobicContact CB-CD1 3.82Å; F307-I382 HydrophobicContact CB-CG1 4.18Å; F307-I382 HydrophobicContact CD2-CB 4.03Å; F307-I382 HydrophobicContact CD2-CD1 3.95Å; F307-I382 HydrophobicContact CD2-CG1 4.06Å; F307-I382 HydrophobicContact CG-CD1 3.88Å; F307-I382 HydrophobicContact CG-CG1 4.36Å; F308-I382 PolarHBondContact O-N 3.16Å; A344-I382 HydrophobicContact CB-CG2 3.84Å; E345-I382 WeakPolarHBondContact O-CA 3.09Å; V346-I382 HydrophobicContact CG1-CG1 4.43Å; V346-I382 HydrophobicContact CG2-CD1 4.37Å; V346-I382 HydrophobicContact CG2-CG1 4.16Å; V346-I382 HydrophobicContact CG2-CG2 4.32Å; V376-I382 HydrophobicContact CG1-CD1 3.77Å; V376-I382 HydrophobicContact CG2-CD1 4.07Å; D380-I382 HydrophobicContact CB-CD1 3.84Å; D380-I382 HydrophobicContact CB-CG1 3.78Å; I382-F384 HydrophobicContact CB-CE2 4.29Å; I382-F384 HydrophobicContact CB-CZ 4.28Å; I382-F384 HydrophobicContact CD1-CZ 4.25Å; I382-F384 HydrophobicContact CG2-CD1 3.92Å; I382-F384 HydrophobicContact CG2-CD2 4.05Å; I382-F384 HydrophobicContact CG2-CE1 3.62Å; I382-F384 HydrophobicContact CG2-CE2 3.76Å; I382-F384 HydrophobicContact CG2-CG 4.15Å; I382-F384 HydrophobicContact CG2-CZ 3.55Å
383L96.4Very high85.9Confident88 Ų8856.3 Ų56.346%0.46131%0.31SS..EExtended strand (participates in β ladder)trans-113.5116.1163.218061.9000109.7E345E345-L383 HydrophobicContact CB-CB 4.25Å; E345-L383 WeakPolarHBondContact CB-O 3.48Å; E345-L383 PolarHBondContact N-O 3.4Å; E345-L383 PolarHBondContact O-N 3.47Å; E345-L383 WeakPolarHBondContact OE2-CD2 3.44Å
384F96.5Very high83.9Confident13 Ų1354.8 Ų54.86%0.05732%0.317CS..EExtended strand (participates in β ladder)trans-85.8133.5179.7-65.5-73.7000111.9F307 A326 A329 A330 I333 F337 F341 A344 I382F307-F384 HydrophobicContact CD2-CE2 4.49Å; F307-F384 AromaticContact CE2-CE2 3.63Å; F307-F384 HydrophobicContact CE2-CE2 3.63Å; F307-F384 HydrophobicContact CE2-CZ 4.17Å; F307-F384 AromaticContact CZ-CE2 3.76Å; F307-F384 HydrophobicContact CZ-CE2 3.76Å; F307-F384 HydrophobicContact CZ-CZ 4.14Å; A326-F384 VanDerWaalsContact O-CE1 3.31Å; A326-F384 WeakPolarHBondContact O-CE1 3.46Å; A329-F384 HydrophobicContact CB-CZ 4.12Å; A330-F384 HydrophobicContact CB-CB 4.44Å; A330-F384 HydrophobicContact CB-CD1 3.51Å; A330-F384 HydrophobicContact CB-CD2 4.05Å; A330-F384 HydrophobicContact CB-CE1 3.6Å; A330-F384 HydrophobicContact CB-CE2 4.12Å; A330-F384 HydrophobicContact CB-CG 3.73Å; A330-F384 HydrophobicContact CB-CZ 3.9Å; I333-F384 HydrophobicContact CD1-CD2 3.62Å; I333-F384 HydrophobicContact CD1-CE2 3.71Å; F337-F384 HydrophobicContact CD2-CB 4.05Å; F337-F384 HydrophobicContact CD2-CD2 4.48Å; F337-F384 HydrophobicContact CE2-CB 4.5Å; F341-F384 HydrophobicContact CD2-CD1 4.32Å; F341-F384 AromaticContact CE2-CD1 3.78Å; F341-F384 HydrophobicContact CE2-CD1 3.78Å; F341-F384 HydrophobicContact CE2-CE1 4.05Å; A344-F384 HydrophobicContact CB-CD1 3.84Å; A344-F384 HydrophobicContact CB-CE1 3.79Å; I382-F384 HydrophobicContact CB-CE2 4.29Å; I382-F384 HydrophobicContact CB-CZ 4.28Å; I382-F384 HydrophobicContact CD1-CZ 4.25Å; I382-F384 HydrophobicContact CG2-CD1 3.92Å; I382-F384 HydrophobicContact CG2-CD2 4.05Å; I382-F384 HydrophobicContact CG2-CE1 3.62Å; I382-F384 HydrophobicContact CG2-CE2 3.76Å; I382-F384 HydrophobicContact CG2-CG 4.15Å; I382-F384 HydrophobicContact CG2-CZ 3.55Å
385K94.7Very high81.3Confident81 Ų8162 Ų6235%0.35235%0.349SS..EExtended strand (participates in β ladder)trans-100.2128.7166.3-56.9-63.5178-173.70108.8I342 M343 E345I342-K385 HydrophobicContact CB-CB 4.25Å; I342-K385 WeakPolarHBondContact CB-O 3.44Å; I342-K385 PolarHBondContact N-O 3.1Å; M343-K385 HydrophobicContact CG-CB 3.86Å; M343-K385 HydrophobicContact CG-CG 3.94Å; M343-K385 PolarHBondContact N-O 3.11Å; M343-K385 PolarHBondContact O-N 3.18Å; E345-K385 HydrophobicContact CG-CG 4.47Å; E345-K385 WeakPolarHBondContact OE1-CE 3.47Å; E345-K385 IonicContact OE1-NZ 2.55Å; E345-K385 WeakPolarHBondContact OE2-CE 3.42Å; E345-K385 IonicContact OE2-NZ 2.74Å; E345-K385 PolarHBondContact OE2-NZ 3.03Å; E345-K385 VanDerWaalsContact OE2-NZ 3.14Å
386F91.8Very high78.4Confident72 Ų7270 Ų7032%0.31638%0.38SS..EExtended strand (participates in β ladder)trans-142.6154.9-179.768-79.2000110.8F337 G340 A388F337-F386 HydrophobicContact CB-CG 4.48Å; F337-F386 AromaticContact CD1-CD1 3.59Å; F337-F386 HydrophobicContact CD1-CD1 3.59Å; F337-F386 AromaticContact CD1-CD2 3.81Å; F337-F386 HydrophobicContact CD1-CD2 3.81Å; F337-F386 AromaticContact CD1-CE1 3.55Å; F337-F386 HydrophobicContact CD1-CE1 3.55Å; F337-F386 AromaticContact CD1-CE2 3.75Å; F337-F386 HydrophobicContact CD1-CE2 3.75Å; F337-F386 AromaticContact CD1-CG 3.74Å; F337-F386 HydrophobicContact CD1-CG 3.74Å; F337-F386 AromaticContact CD1-CZ 3.64Å; F337-F386 HydrophobicContact CD1-CZ 3.64Å; F337-F386 HydrophobicContact CD2-CD1 4.09Å; F337-F386 HydrophobicContact CD2-CE1 4.3Å; F337-F386 AromaticContact CE1-CD1 3.66Å; F337-F386 HydrophobicContact CE1-CD1 3.66Å; F337-F386 HydrophobicContact CE1-CD2 4.17Å; F337-F386 AromaticContact CE1-CE1 3.1Å; F337-F386 HydrophobicContact CE1-CE1 3.1Å; F337-F386 AromaticContact CE1-CE2 3.67Å; F337-F386 HydrophobicContact CE1-CE2 3.67Å; F337-F386 HydrophobicContact CE1-CG 4.18Å; F337-F386 AromaticContact CE1-CZ 3.11Å; F337-F386 HydrophobicContact CE1-CZ 3.11Å; F337-F386 HydrophobicContact CE2-CD1 4.11Å; F337-F386 AromaticContact CE2-CE1 3.9Å; F337-F386 HydrophobicContact CE2-CE1 3.9Å; F337-F386 AromaticContact CG-CD1 3.83Å; F337-F386 HydrophobicContact CG-CD1 3.83Å; F337-F386 HydrophobicContact CG-CE1 4.15Å; F337-F386 HydrophobicContact CG-CG 4.07Å; F337-F386 AromaticContact CZ-CD1 3.91Å; F337-F386 HydrophobicContact CZ-CD1 3.91Å; F337-F386 AromaticContact CZ-CE1 3.28Å; F337-F386 HydrophobicContact CZ-CE1 3.28Å; F337-F386 AromaticContact CZ-CZ 3.72Å; F337-F386 HydrophobicContact CZ-CZ 3.72Å; G340-F386 CarbonylContact O-C 3.59Å; G340-F386 WeakPolarHBondContact O-CA 3.46Å; G340-F386 WeakPolarHBondContact O-CB 3.41Å; F386-A388 HydrophobicContact CE2-CB 4.3Å
387N89.9Confident75.5Confident97 Ų9782.5 Ų82.552%0.51943%0.434SS..  trans-88.3111.5172.5-173.9-5.7000110G340 I342 G389 A390G340-N387 PolarHBondContact O-N 3.28Å; I342-N387 HydrophobicContact CD1-CB 4.32Å; N387-G389 PolarHBondContact O-N 3.31Å; N387-G389 VanDerWaalsContact O-N 3.14Å; N387-G389 PolarHBondContact OD1-N 3.25Å; N387-G389 VanDerWaalsContact OD1-N 3.12Å; N387-A390 WeakPolarHBondContact O-CB 3.37Å; N387-A390 PolarHBondContact O-N 2.98Å; N387-A390 VanDerWaalsContact O-N 3.16Å
388A75.4Confident74.4Confident67 Ų6781.6 Ų81.655%0.55443%0.432SS*.G310 helixtrans-57.5-27.8179.800000113.6F386 A390F386-A388 HydrophobicContact CE2-CB 4.3Å; A388-A390 VanDerWaalsContact C-N 3.32Å; A388-A390 PolarHBondContact O-N 3.15Å
389G68.6Low73.2Confident32 Ų3282.4 Ų82.433%0.3344%0.436SS..G310 helixtrans-74.7-15.1-179.400000115.2N387 L392N387-G389 PolarHBondContact O-N 3.31Å; N387-G389 VanDerWaalsContact O-N 3.14Å; N387-G389 PolarHBondContact OD1-N 3.25Å; N387-G389 VanDerWaalsContact OD1-N 3.12Å; G389-L392 PolarHBondContact O-N 3.38Å
390A60.9Low71.8Confident35 Ų3586.8 Ų86.829%0.28946%0.459SS..G310 helixtrans-73.6-28.7-173.200000113.4N387 A388 L392N387-A390 WeakPolarHBondContact O-CB 3.37Å; N387-A390 PolarHBondContact O-N 2.98Å; N387-A390 VanDerWaalsContact O-N 3.16Å; A388-A390 VanDerWaalsContact C-N 3.32Å; A388-A390 PolarHBondContact O-N 3.15Å; A390-L392 VanDerWaalsContact C-N 3.34Å
391G55.5Low70.3Confident18 Ų1891.9 Ų91.919%0.18649%0.485CS..THydrogen-bonded Turntrans-71-28177.300000113.7D336D336-G391 WeakPolarHBondContact OD1-CA 3.37Å
392L53.8Low68.5Low151 Ų15197.4 Ų97.479%0.79151%0.514SS*.THydrogen-bonded Turntrans-79.9-16-175.8-73.5155.9000113.8G389 A390 G394G389-L392 PolarHBondContact O-N 3.38Å; A390-L392 VanDerWaalsContact C-N 3.34Å; L392-G394 PolarHBondContact O-N 3.24Å; L392-G394 VanDerWaalsContact O-N 3.16Å
393Q50.2Low66.5Low167 Ų167103.4 Ų103.478%0.7855%0.546SS*.  trans-85.730.6-179.8-67.1-172.44.200113.9K395Q393-K395 PolarHBondContact O-N 3.36Å
394G50.5Low64.4Low65 Ų65104.5 Ų104.567%0.6755%0.552SS**  trans-56.5112.4166.600000109.7L392 K396L392-G394 PolarHBondContact O-N 3.24Å; L392-G394 VanDerWaalsContact O-N 3.16Å; G394-K396 PolarHBondContact O-N 3.5Å; G394-K396 VanDerWaalsContact O-N 3.15Å
395K43.1Very low61.9Low184 Ų184111.5 Ų111.580%0.859%0.591SS**  trans-41.8116.9-174-72.2174.6176.5171.60112.1Q393 K397Q393-K395 PolarHBondContact O-N 3.36Å; K395-K397 PolarHBondContact O-N 3.06Å
396K36.5Very low59.2Low217 Ų217114.1 Ų114.194%0.94361%0.61SS**  trans-60.693.5144.5-79.3-175.4176.4-179.60106.9G394G394-K396 PolarHBondContact O-N 3.5Å; G394-K396 VanDerWaalsContact O-N 3.15Å
397K34.5Very low56.2Low264 Ų264117.9 Ų117.9100%1.14864%0.637SS**  trans-143.30157.3-91.6-158.5174.3-170.30108.9K395K395-K397 PolarHBondContact O-N 3.06Å

Retrieved 397 of 397 residues in 318.8 ms (Link to these results)

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