A0A087XDD7_POEFO Loading...

Protein kinase cAMP-dependent type II regulatory subunit beta

Regulatory subunit of the cAMP-dependent protein kinases involved in cAMP signaling in cells. Type II regulatory chains mediate membrane association by binding to anchoring proteins, including the MAP2 kinase.

AlphaFold DB , UniProt , Accession A0A087XDD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.8Very low75.4Confident237 Ų237128.3 Ų128.3100%1.16769%0.685SS**  0105.10-75.5-176.9-103.100106.9I3M1-I3 PolarHBondContact O-N 3.26Å
2S52.2Low76.6Confident115 Ų115122.9 Ų122.980%0.80466%0.656SS**  trans-75.8112.1170.842.70000107.4E4S2-E4 PolarHBondContact O-N 3.16Å
3I73.5Confident77.7Confident152 Ų152120.2 Ų120.278%0.77964%0.641SS**  trans-79114.2175.9-59.9171.5000106.6M1M1-I3 PolarHBondContact O-N 3.26Å
4E75.4Confident78.6Confident176 Ų176121.1 Ų121.182%0.82264%0.639SS**PPolyproline II helixtrans-78.2120.6170.1-72.2-179.6170.300108.3S2S2-E4 PolarHBondContact O-N 3.16Å
5I76.8Confident79.2Confident119 Ų119117.1 Ų117.161%0.6163%0.625SS**PPolyproline II helixtrans-81.4124176.3-60.8174.9000107.3L9I5-L9 HydrophobicContact CG2-CB 4.49Å; I5-L9 HydrophobicContact CG2-CD2 4.35Å
6P84.3Confident80.1Confident85 Ų85111.8 Ų111.855%0.55260%0.595SS**PPolyproline II helixtrans-58.8138.3176-23.533.4000111.9G8 L9P6-G8 PolarHBondContact O-N 2.9Å; P6-L9 HydrophobicContact CB-CB 4.46Å; P6-L9 WeakPolarHBondContact O-CB 3.43Å; P6-L9 PolarHBondContact O-N 2.73Å
7E75.9Confident80.8Confident204 Ų204109.5 Ų109.595%0.95359%0.586SS**THydrogen-bonded Turntrans-58135.9172.2-69-173.4159.900110.2L9E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 3.27Å
8G82.4Confident81.3Confident30 Ų30106.9 Ų106.931%0.30958%0.575SS.*THydrogen-bonded Turntrans85.9-13.8-179.200000116P6 T10 E11 L12P6-G8 PolarHBondContact O-N 2.9Å; G8-T10 PolarHBondContact O-N 3.17Å; G8-E11 PolarHBondContact O-N 3.26Å; G8-L12 WeakPolarHBondContact O-CB 3.44Å; G8-L12 PolarHBondContact O-N 3.3Å
9L85.8Confident81.7Confident73 Ų73104.3 Ų104.338%0.38256%0.559SS.*Hα-helixtrans-63-41.3-179.418061.8000112.5I5 P6 E7 L13I5-L9 HydrophobicContact CG2-CB 4.49Å; I5-L9 HydrophobicContact CG2-CD2 4.35Å; P6-L9 HydrophobicContact CB-CB 4.46Å; P6-L9 WeakPolarHBondContact O-CB 3.43Å; P6-L9 PolarHBondContact O-N 2.73Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 3.27Å; L9-L13 HydrophobicContact CD1-CD1 3.99Å; L9-L13 HydrophobicContact CD1-CG 4.18Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CG 3.01Å; L9-L13 PolarHBondContact O-N 2.95Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10T86.4Confident82.3Confident89 Ų89100.3 Ų100.355%0.54654%0.538SS..Hα-helixtrans-64.3-40.7178.233.40000112.3G8 Q14G8-T10 PolarHBondContact O-N 3.17Å; T10-Q14 WeakPolarHBondContact O-CB 3.38Å; T10-Q14 PolarHBondContact O-N 3.19Å
11E88.2Confident82.6Confident131 Ų131101.6 Ų101.661%0.61254%0.544SS*.Hα-helixtrans-70.3-41.3-179.3-68.6150.8-177.100111.1G8 Q14 S15G8-E11 PolarHBondContact O-N 3.26Å; E11-Q14 PolarHBondContact O-N 2.97Å; E11-S15 WeakPolarHBondContact O-CB 3.33Å; E11-S15 PolarHBondContact O-N 3.4Å
12L89.2Confident84.4Confident64 Ų6499 Ų9934%0.33552%0.521SS..Hα-helixtrans-58.9-51.5175.418066.3000111.8G8 S15 F16 F36 L39G8-L12 WeakPolarHBondContact O-CB 3.44Å; G8-L12 PolarHBondContact O-N 3.3Å; L12-S15 PolarHBondContact O-N 3.04Å; L12-F16 PolarHBondContact O-N 3.29Å; L12-F36 HydrophobicContact CD1-CD1 4.14Å; L12-F36 HydrophobicContact CD1-CE1 3.73Å; L12-F36 HydrophobicContact CD2-CE1 4.21Å; L12-F36 HydrophobicContact CG-CE1 3.85Å; L12-L39 HydrophobicContact CD1-CD2 3.27Å
13L91.1Very high86Confident87 Ų8797.7 Ų97.746%0.45551%0.506SS..Hα-helixtrans-68-36.1179.7-68.7175.5000112L9 T17L9-L13 HydrophobicContact CD1-CD1 3.99Å; L9-L13 HydrophobicContact CD1-CG 4.18Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L9-L13 WeakPolarHBondContact O-CG 3.01Å; L9-L13 PolarHBondContact O-N 2.95Å; L9-L13 VanDerWaalsContact O-N 3.08Å; L13-T17 WeakPolarHBondContact O-CB 3.25Å; L13-T17 PolarHBondContact O-N 3.3Å; L13-T17 PolarHBondContact O-OG1 3.09Å
14Q90.4Very high86.6Confident133 Ų13398.2 Ų98.262%0.62151%0.505SS*.Hα-helixtrans-65.4-42.6176.1-172.61745.800111.4T10 E11 T17 V18T10-Q14 WeakPolarHBondContact O-CB 3.38Å; T10-Q14 PolarHBondContact O-N 3.19Å; E11-Q14 PolarHBondContact O-N 2.97Å; Q14-T17 PolarHBondContact O-N 2.82Å; Q14-V18 WeakPolarHBondContact O-CG2 3.16Å; Q14-V18 PolarHBondContact O-N 3.05Å
15S88.1Confident87.2Confident61 Ų6191.3 Ų91.343%0.42748%0.475SS..Hα-helixtrans-64-43.2177.2-167.90000112E11 L12 T17 V18 E19 Y35E11-S15 WeakPolarHBondContact O-CB 3.33Å; E11-S15 PolarHBondContact O-N 3.4Å; L12-S15 PolarHBondContact O-N 3.04Å; S15-T17 VanDerWaalsContact C-N 3.35Å; S15-T17 PolarHBondContact O-N 2.77Å; S15-V18 PolarHBondContact O-N 2.83Å; S15-E19 PolarHBondContact O-N 3.03Å; S15-Y35 VanDerWaalsContact C-OH 3.22Å; S15-Y35 WeakPolarHBondContact CB-OH 3.45Å; S15-Y35 PolarHBondContact OG-OH 2.98Å
16F93.3Very high87.4Confident33 Ų3398 Ų9815%0.14549%0.493CS..Hα-helixtrans-59.4-46172.7174.6-113.4000111.7L12 V18 E19 V20 F31 A32 Y35 F36L12-F16 PolarHBondContact O-N 3.29Å; F16-V18 VanDerWaalsContact C-N 3.35Å; F16-V18 PolarHBondContact O-N 2.9Å; F16-E19 PolarHBondContact O-N 2.86Å; F16-E19 VanDerWaalsContact O-N 3.11Å; F16-V20 HydrophobicContact CD1-CG2 4.31Å; F16-V20 HydrophobicContact CD2-CG2 4.21Å; F16-V20 HydrophobicContact CE1-CG2 3.82Å; F16-V20 HydrophobicContact CE2-CG2 3.72Å; F16-V20 HydrophobicContact CG-CG2 4.49Å; F16-V20 HydrophobicContact CZ-CG2 3.51Å; F16-V20 WeakPolarHBondContact O-CG2 3.36Å; F16-V20 PolarHBondContact O-N 2.88Å; F16-F31 AromaticContact CE2-CD1 3.65Å; F16-F31 HydrophobicContact CE2-CD1 3.65Å; F16-F31 HydrophobicContact CE2-CE1 4.05Å; F16-F31 HydrophobicContact CZ-CD1 4.26Å; F16-A32 HydrophobicContact CE2-CB 3.87Å; F16-A32 HydrophobicContact CZ-CB 3.65Å; F16-Y35 HydrophobicContact CB-CD1 4.06Å; F16-Y35 HydrophobicContact CB-CE1 3.7Å; F16-Y35 AromaticContact CD2-CD1 3.5Å; F16-Y35 HydrophobicContact CD2-CD1 3.5Å; F16-Y35 HydrophobicContact CD2-CD2 4.32Å; F16-Y35 HydrophobicContact CD2-CE1 4.02Å; F16-Y35 AromaticContact CD2-CG 3.68Å; F16-Y35 HydrophobicContact CD2-CG 3.68Å; F16-Y35 HydrophobicContact CE2-CD1 4.41Å; F16-Y35 HydrophobicContact CE2-CG 4.33Å; F16-Y35 HydrophobicContact CG-CD1 4.21Å; F16-Y35 HydrophobicContact CG-CE1 4.35Å; F16-Y35 PolarHBondContact N-OH 2.83Å; F16-F36 HydrophobicContact CB-CE1 4.46Å; F16-F36 HydrophobicContact CB-CZ 4.01Å; F16-F36 HydrophobicContact CD1-CZ 4.44Å; F16-F36 HydrophobicContact CD2-CE2 4.27Å; F16-F36 HydrophobicContact CD2-CZ 4.24Å; F16-F36 HydrophobicContact CG-CE2 4.32Å; F16-F36 AromaticContact CG-CZ 3.96Å; F16-F36 HydrophobicContact CG-CZ 3.96Å
17T91.2Very high87.6Confident73 Ų7398.3 Ų98.345%0.44849%0.49SS..Hα-helixtrans-61.5-41.6-179.4-570000111.9L13 Q14 S15 E19 V20 L21L13-T17 WeakPolarHBondContact O-CB 3.25Å; L13-T17 PolarHBondContact O-N 3.3Å; L13-T17 PolarHBondContact O-OG1 3.09Å; Q14-T17 PolarHBondContact O-N 2.82Å; S15-T17 VanDerWaalsContact C-N 3.35Å; S15-T17 PolarHBondContact O-N 2.77Å; T17-E19 VanDerWaalsContact C-N 3.28Å; T17-E19 PolarHBondContact O-N 3.03Å; T17-V20 PolarHBondContact O-N 3.45Å; T17-L21 HydrophobicContact CG2-CD1 4.24Å; T17-L21 VanDerWaalsContact O-CG 3.32Å; T17-L21 WeakPolarHBondContact O-CG 3.5Å; T17-L21 PolarHBondContact O-N 3.49Å
18V90.8Very high88.3Confident62 Ų6293.4 Ų93.438%0.37647%0.47SS..Hα-helixtrans-60.1-41.1175.5169.10000111.1Q14 S15 F16 L21 R22Q14-V18 WeakPolarHBondContact O-CG2 3.16Å; Q14-V18 PolarHBondContact O-N 3.05Å; S15-V18 PolarHBondContact O-N 2.83Å; F16-V18 VanDerWaalsContact C-N 3.35Å; F16-V18 PolarHBondContact O-N 2.9Å; V18-L21 PolarHBondContact O-N 2.8Å; V18-R22 WeakPolarHBondContact O-CG 3.45Å; V18-R22 PolarHBondContact O-N 3.44Å
19E89.4Confident88.5Confident57 Ų5798 Ų9827%0.26649%0.486SS..Hα-helixtrans-75.4-30.4-176.6-149.153.1-153.200112.4S15 F16 T17 R22 N23 F31 Y35S15-E19 PolarHBondContact O-N 3.03Å; F16-E19 PolarHBondContact O-N 2.86Å; F16-E19 VanDerWaalsContact O-N 3.11Å; T17-E19 VanDerWaalsContact C-N 3.28Å; T17-E19 PolarHBondContact O-N 3.03Å; E19-R22 IonicContact OE2-NH1 2.83Å; E19-N23 WeakPolarHBondContact O-CB 3.4Å; E19-N23 PolarHBondContact O-N 2.78Å; E19-N23 PolarHBondContact O-ND2 3.41Å; E19-N23 PolarHBondContact OE1-ND2 2.83Å; E19-F31 HydrophobicContact CB-CE1 4.34Å; E19-F31 HydrophobicContact CB-CZ 4.31Å; E19-F31 HydrophobicContact CG-CZ 4.06Å; E19-Y35 HydrophobicContact CB-CD2 4.13Å; E19-Y35 HydrophobicContact CB-CE2 3.84Å; E19-Y35 HydrophobicContact CG-CD2 4.13Å; E19-Y35 HydrophobicContact CG-CE2 4.03Å
20V92.4Very high88.5Confident25 Ų2597.6 Ų97.615%0.15248%0.483CS..Hα-helixtrans-64.3-46.7167.5169.80000110.9F16 T17 R22 N23 Q24 P25 L28 F31F16-V20 HydrophobicContact CD1-CG2 4.31Å; F16-V20 HydrophobicContact CD2-CG2 4.21Å; F16-V20 HydrophobicContact CE1-CG2 3.82Å; F16-V20 HydrophobicContact CE2-CG2 3.72Å; F16-V20 HydrophobicContact CG-CG2 4.49Å; F16-V20 HydrophobicContact CZ-CG2 3.51Å; F16-V20 WeakPolarHBondContact O-CG2 3.36Å; F16-V20 PolarHBondContact O-N 2.88Å; T17-V20 PolarHBondContact O-N 3.45Å; V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 PolarHBondContact O-N 3.45Å; V20-N23 PolarHBondContact O-N 2.89Å; V20-Q24 WeakPolarHBondContact O-CA 3.32Å; V20-Q24 PolarHBondContact O-N 2.83Å; V20-P25 HydrophobicContact CG1-CG 4.44Å; V20-P25 WeakPolarHBondContact O-CD 3.28Å; V20-L28 HydrophobicContact CB-CD2 4.45Å; V20-L28 HydrophobicContact CG1-CD2 3.42Å; V20-L28 VanDerWaalsContact CG1-CD2 3.42Å; V20-L28 HydrophobicContact CG2-CD2 4.11Å; V20-F31 HydrophobicContact CB-CE1 4.48Å; V20-F31 HydrophobicContact CG2-CD1 3.68Å; V20-F31 HydrophobicContact CG2-CE1 3.69Å
21L90Very high88.8Confident128 Ų12895 Ų9567%0.6746%0.464SS*.Hα-helixtrans-65-33.1179.9-71.4173.9000112.6T17 V18T17-L21 HydrophobicContact CG2-CD1 4.24Å; T17-L21 VanDerWaalsContact O-CG 3.32Å; T17-L21 WeakPolarHBondContact O-CG 3.5Å; T17-L21 PolarHBondContact O-N 3.49Å; V18-L21 PolarHBondContact O-N 2.8Å
22R85.7Confident88.8Confident181 Ų18189.7 Ų89.768%0.68344%0.443SS*.Hα-helixtrans-73.3-45.3176.5-79.4177.5174.7171.7-1.5113.3V18 E19 V20V18-R22 WeakPolarHBondContact O-CG 3.45Å; V18-R22 PolarHBondContact O-N 3.44Å; E19-R22 IonicContact OE2-NH1 2.83Å; V20-R22 VanDerWaalsContact C-N 3.3Å; V20-R22 PolarHBondContact O-N 3.45Å
23N85.6Confident88.9Confident89 Ų8991.4 Ų91.448%0.47645%0.452SS..Hα-helixtrans-95-12.8-170.3-65.5-66.8000113.5E19 V20 P25 F31E19-N23 WeakPolarHBondContact O-CB 3.4Å; E19-N23 PolarHBondContact O-N 2.78Å; E19-N23 PolarHBondContact O-ND2 3.41Å; E19-N23 PolarHBondContact OE1-ND2 2.83Å; V20-N23 PolarHBondContact O-N 2.89Å; N23-P25 VanDerWaalsContact C-N 3.35Å; N23-F31 HydrophobicContact CB-CE2 4.13Å; N23-F31 HydrophobicContact CB-CZ 4.17Å
24Q87Confident88.7Confident163 Ų16389.8 Ų89.876%0.76244%0.442SS*.  trans41.756.1-179.5-62.6-172.4-2900112.8V20V20-Q24 WeakPolarHBondContact O-CA 3.32Å; V20-Q24 PolarHBondContact O-N 2.83Å
25P86.6Confident88.8Confident31 Ų3185 Ų8520%0.20142%0.418CS..  trans-65.6141.7-177.330.4-36.3000110.5V20 N23 D27 L28 F31V20-P25 HydrophobicContact CG1-CG 4.44Å; V20-P25 WeakPolarHBondContact O-CD 3.28Å; N23-P25 VanDerWaalsContact C-N 3.35Å; P25-D27 VanDerWaalsContact C-N 3.28Å; P25-D27 PolarHBondContact O-N 2.86Å; P25-L28 HydrophobicContact CG-CD2 4.11Å; P25-F31 HydrophobicContact CB-CB 3.85Å; P25-F31 HydrophobicContact CB-CD2 3.82Å; P25-F31 HydrophobicContact CB-CG 3.84Å; P25-F31 HydrophobicContact CG-CB 3.86Å; P25-F31 HydrophobicContact CG-CD1 3.88Å; P25-F31 HydrophobicContact CG-CD2 3.97Å; P25-F31 HydrophobicContact CG-CE1 4.42Å; P25-F31 HydrophobicContact CG-CE2 4.48Å; P25-F31 HydrophobicContact CG-CG 3.63Å
26R80.9Confident89Confident260 Ų26085.5 Ų85.598%0.98141%0.413SS*.SBendtrans-70.3-26.7176.4-67.7-176.7180177.3-1.2112.7
27D90.3Very high88.8Confident91 Ų9187.5 Ų87.549%0.48743%0.428SS..  trans-123111.7177.5-177.3-17.5000109.1P25 L29 E30 F31P25-D27 VanDerWaalsContact C-N 3.28Å; P25-D27 PolarHBondContact O-N 2.86Å; D27-L29 PolarHBondContact OD1-N 2.82Å; D27-E30 HydrophobicContact CB-CB 4.24Å; D27-E30 PolarHBondContact OD1-N 3.16Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å; D27-F31 VanDerWaalsContact O-CB 3.27Å; D27-F31 WeakPolarHBondContact O-CB 3.48Å; D27-F31 PolarHBondContact O-N 3.42Å
28L89.1Confident88.6Confident101 Ų10192.3 Ų92.353%0.52944%0.438SS..Hα-helixtrans-73.9-28.1-178.1-70.2171.3000112.6V20 P25 A32V20-L28 HydrophobicContact CB-CD2 4.45Å; V20-L28 HydrophobicContact CG1-CD2 3.42Å; V20-L28 VanDerWaalsContact CG1-CD2 3.42Å; V20-L28 HydrophobicContact CG2-CD2 4.11Å; P25-L28 HydrophobicContact CG-CD2 4.11Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.11Å
29L87.4Confident88.5Confident126 Ų12691.7 Ų91.766%0.6643%0.432SS*.Hα-helixtrans-81.5-45-172.2-160138.5000110.4D27 F31 A32 L33D27-L29 PolarHBondContact OD1-N 2.82Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 2.73Å; L29-A32 WeakPolarHBondContact O-CB 3.36Å; L29-A32 PolarHBondContact O-N 2.91Å; L29-L33 HydrophobicContact CD2-CD1 4.28Å; L29-L33 WeakPolarHBondContact O-CG 3.49Å; L29-L33 PolarHBondContact O-N 3.29Å
30E86.3Confident88.3Confident65 Ų6595.9 Ų95.930%0.30445%0.449SS..Hα-helixtrans-61.2-39.6170.117663.8-172.400111.2D27 L33 Q34 R97D27-E30 HydrophobicContact CB-CB 4.24Å; D27-E30 PolarHBondContact OD1-N 3.16Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å; E30-L33 PolarHBondContact O-N 3.44Å; E30-Q34 WeakPolarHBondContact O-CG 3.4Å; E30-Q34 PolarHBondContact O-N 3.22Å; E30-Q34 PolarHBondContact OE1-NE2 3.25Å; E30-R97 IonicContact OE1-CZ 3.57Å; E30-R97 IonicContact OE1-NH1 3.43Å; E30-R97 PolarHBondContact OE1-NH1 3.34Å; E30-R97 IonicContact OE1-NH2 3.8Å; E30-R97 PolarHBondContact OE1-NH2 3.17Å
31F91.1Very high87.9Confident33 Ų3398.5 Ų98.515%0.14546%0.463CS..Hα-helixtrans-66.1-39.7176.2-171.8-99.6000112.2F16 E19 V20 N23 P25 D27 L29 Q34 Y35F16-F31 AromaticContact CE2-CD1 3.65Å; F16-F31 HydrophobicContact CE2-CD1 3.65Å; F16-F31 HydrophobicContact CE2-CE1 4.05Å; F16-F31 HydrophobicContact CZ-CD1 4.26Å; E19-F31 HydrophobicContact CB-CE1 4.34Å; E19-F31 HydrophobicContact CB-CZ 4.31Å; E19-F31 HydrophobicContact CG-CZ 4.06Å; V20-F31 HydrophobicContact CB-CE1 4.48Å; V20-F31 HydrophobicContact CG2-CD1 3.68Å; V20-F31 HydrophobicContact CG2-CE1 3.69Å; N23-F31 HydrophobicContact CB-CE2 4.13Å; N23-F31 HydrophobicContact CB-CZ 4.17Å; P25-F31 HydrophobicContact CB-CB 3.85Å; P25-F31 HydrophobicContact CB-CD2 3.82Å; P25-F31 HydrophobicContact CB-CG 3.84Å; P25-F31 HydrophobicContact CG-CB 3.86Å; P25-F31 HydrophobicContact CG-CD1 3.88Å; P25-F31 HydrophobicContact CG-CD2 3.97Å; P25-F31 HydrophobicContact CG-CE1 4.42Å; P25-F31 HydrophobicContact CG-CE2 4.48Å; P25-F31 HydrophobicContact CG-CG 3.63Å; D27-F31 VanDerWaalsContact O-CB 3.27Å; D27-F31 WeakPolarHBondContact O-CB 3.48Å; D27-F31 PolarHBondContact O-N 3.42Å; L29-F31 VanDerWaalsContact C-N 3.28Å; L29-F31 PolarHBondContact O-N 2.73Å; F31-Q34 PolarHBondContact O-N 2.8Å; F31-Y35 WeakPolarHBondContact O-CB 3.18Å; F31-Y35 PolarHBondContact O-N 3.34Å
32A90.1Very high87.2Confident21 Ų2195 Ų9517%0.17445%0.449CS..Hα-helixtrans-60.3-47.8173.600000111.6F16 L28 L29 Q34 Y35 F36F16-A32 HydrophobicContact CE2-CB 3.87Å; F16-A32 HydrophobicContact CZ-CB 3.65Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.11Å; L29-A32 WeakPolarHBondContact O-CB 3.36Å; L29-A32 PolarHBondContact O-N 2.91Å; A32-Q34 VanDerWaalsContact C-N 3.35Å; A32-Q34 PolarHBondContact O-N 3.5Å; A32-Y35 PolarHBondContact O-N 2.76Å; A32-F36 HydrophobicContact CB-CD2 4.22Å; A32-F36 HydrophobicContact CB-CE2 4.13Å; A32-F36 WeakPolarHBondContact O-CD2 3.3Å; A32-F36 PolarHBondContact O-N 2.89Å
33L90Very high86.5Confident100 Ų10092.5 Ų92.552%0.52445%0.445SS..Hα-helixtrans-57.3-48177.6-72.3171000111.4L29 E30 T37L29-L33 HydrophobicContact CD2-CD1 4.28Å; L29-L33 WeakPolarHBondContact O-CG 3.49Å; L29-L33 PolarHBondContact O-N 3.29Å; E30-L33 PolarHBondContact O-N 3.44Å; L33-T37 WeakPolarHBondContact O-CB 3.33Å; L33-T37 PolarHBondContact O-N 2.95Å; L33-T37 PolarHBondContact O-OG1 3.33Å
34Q88.1Confident85.3Confident53 Ų5392.1 Ų92.125%0.24845%0.446CS..Hα-helixtrans-65.7-42.6178.4-69.5-178.818.700112.6E30 F31 A32 R38E30-Q34 WeakPolarHBondContact O-CG 3.4Å; E30-Q34 PolarHBondContact O-N 3.22Å; E30-Q34 PolarHBondContact OE1-NE2 3.25Å; F31-Q34 PolarHBondContact O-N 2.8Å; A32-Q34 VanDerWaalsContact C-N 3.35Å; A32-Q34 PolarHBondContact O-N 3.5Å; Q34-R38 WeakPolarHBondContact O-CB 3.35Å; Q34-R38 VanDerWaalsContact O-CG 3.29Å; Q34-R38 WeakPolarHBondContact O-CG 3.44Å; Q34-R38 PolarHBondContact O-N 2.85Å
35Y90.8Very high83.9Confident31 Ų3190.9 Ų90.912%0.12244%0.438CS..Hα-helixtrans-62.7-52.6-179.6177-90.4000111.3S15 F16 E19 F31 A32 T37 R38 L39S15-Y35 VanDerWaalsContact C-OH 3.22Å; S15-Y35 WeakPolarHBondContact CB-OH 3.45Å; S15-Y35 PolarHBondContact OG-OH 2.98Å; F16-Y35 HydrophobicContact CB-CD1 4.06Å; F16-Y35 HydrophobicContact CB-CE1 3.7Å; F16-Y35 AromaticContact CD2-CD1 3.5Å; F16-Y35 HydrophobicContact CD2-CD1 3.5Å; F16-Y35 HydrophobicContact CD2-CD2 4.32Å; F16-Y35 HydrophobicContact CD2-CE1 4.02Å; F16-Y35 AromaticContact CD2-CG 3.68Å; F16-Y35 HydrophobicContact CD2-CG 3.68Å; F16-Y35 HydrophobicContact CE2-CD1 4.41Å; F16-Y35 HydrophobicContact CE2-CG 4.33Å; F16-Y35 HydrophobicContact CG-CD1 4.21Å; F16-Y35 HydrophobicContact CG-CE1 4.35Å; F16-Y35 PolarHBondContact N-OH 2.83Å; E19-Y35 HydrophobicContact CB-CD2 4.13Å; E19-Y35 HydrophobicContact CB-CE2 3.84Å; E19-Y35 HydrophobicContact CG-CD2 4.13Å; E19-Y35 HydrophobicContact CG-CE2 4.03Å; F31-Y35 WeakPolarHBondContact O-CB 3.18Å; F31-Y35 PolarHBondContact O-N 3.34Å; A32-Y35 PolarHBondContact O-N 2.76Å; Y35-T37 PolarHBondContact O-N 3.43Å; Y35-R38 PolarHBondContact O-N 3Å; Y35-L39 HydrophobicContact CE1-CD2 4.16Å; Y35-L39 WeakPolarHBondContact O-CB 3.37Å; Y35-L39 PolarHBondContact O-N 2.84Å
36F92.6Very high82.3Confident72 Ų7297.2 Ų97.232%0.31647%0.465SS..Hα-helixtrans-70.1-31.3-179-67.5-60.7000112.5L12 F16 A32 L39 K40L12-F36 HydrophobicContact CD1-CD1 4.14Å; L12-F36 HydrophobicContact CD1-CE1 3.73Å; L12-F36 HydrophobicContact CD2-CE1 4.21Å; L12-F36 HydrophobicContact CG-CE1 3.85Å; F16-F36 HydrophobicContact CB-CE1 4.46Å; F16-F36 HydrophobicContact CB-CZ 4.01Å; F16-F36 HydrophobicContact CD1-CZ 4.44Å; F16-F36 HydrophobicContact CD2-CE2 4.27Å; F16-F36 HydrophobicContact CD2-CZ 4.24Å; F16-F36 HydrophobicContact CG-CE2 4.32Å; F16-F36 AromaticContact CG-CZ 3.96Å; F16-F36 HydrophobicContact CG-CZ 3.96Å; A32-F36 HydrophobicContact CB-CD2 4.22Å; A32-F36 HydrophobicContact CB-CE2 4.13Å; A32-F36 WeakPolarHBondContact O-CD2 3.3Å; A32-F36 PolarHBondContact O-N 2.89Å; F36-L39 HydrophobicContact CD1-CD2 4.45Å; F36-L39 PolarHBondContact O-N 2.83Å; F36-K40 VanDerWaalsContact O-CB 3.3Å; F36-K40 WeakPolarHBondContact O-CB 3.26Å; F36-K40 PolarHBondContact O-N 3.49Å
37T89.8Confident80.9Confident76 Ų7688.8 Ų88.847%0.46645%0.451SS..Hα-helixtrans-64.7-46.6172.6-57.50000111.1L33 Y35 L39 K40 D41L33-T37 WeakPolarHBondContact O-CB 3.33Å; L33-T37 PolarHBondContact O-N 2.95Å; L33-T37 PolarHBondContact O-OG1 3.33Å; Y35-T37 PolarHBondContact O-N 3.43Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 2.77Å; T37-K40 PolarHBondContact O-N 3.19Å; T37-D41 WeakPolarHBondContact O-CB 3.04Å; T37-D41 VanDerWaalsContact O-CG 3.3Å; T37-D41 PolarHBondContact O-N 3.5Å
38R87.6Confident78.9Confident173 Ų17388.9 Ų88.965%0.65346%0.459SS*.Hα-helixtrans-63-40.3176.1-74.1177.5-171.8167.17.9112.4Q34 Y35 D41 S42Q34-R38 WeakPolarHBondContact O-CB 3.35Å; Q34-R38 VanDerWaalsContact O-CG 3.29Å; Q34-R38 WeakPolarHBondContact O-CG 3.44Å; Q34-R38 PolarHBondContact O-N 2.85Å; Y35-R38 PolarHBondContact O-N 3Å; R38-D41 PolarHBondContact O-N 2.62Å; R38-S42 PolarHBondContact O-N 3.47Å; R38-S42 PolarHBondContact O-OG 3.24Å
39L88.5Confident76.7Confident50 Ų5092.9 Ų92.926%0.26247%0.472SS..Hα-helixtrans-64-44.2179-168.868.2000111.2L12 Y35 F36 T37 D41 S42 E43L12-L39 HydrophobicContact CD1-CD2 3.27Å; Y35-L39 HydrophobicContact CE1-CD2 4.16Å; Y35-L39 WeakPolarHBondContact O-CB 3.37Å; Y35-L39 PolarHBondContact O-N 2.84Å; F36-L39 HydrophobicContact CD1-CD2 4.45Å; F36-L39 PolarHBondContact O-N 2.83Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 2.77Å; L39-D41 VanDerWaalsContact C-N 3.34Å; L39-D41 PolarHBondContact O-N 3.35Å; L39-S42 WeakPolarHBondContact CA-OG 3.28Å; L39-S42 PolarHBondContact O-N 2.92Å; L39-S42 PolarHBondContact O-OG 2.7Å; L39-E43 PolarHBondContact O-N 3.45Å; L39-E43 VanDerWaalsContact O-N 3.09Å
40K85.3Confident74.5Confident144 Ų14490 Ų9063%0.62647%0.473SS*.Hα-helixtrans-61.5-40.9174-174.8-179.4179.2-177.80112.4F36 T37 E43 T44F36-K40 VanDerWaalsContact O-CB 3.3Å; F36-K40 WeakPolarHBondContact O-CB 3.26Å; F36-K40 PolarHBondContact O-N 3.49Å; T37-K40 PolarHBondContact O-N 3.19Å; K40-E43 PolarHBondContact O-N 3.2Å; K40-T44 PolarHBondContact O-N 3.5Å; K40-T44 PolarHBondContact O-OG1 2.68Å
41D82.6Confident72.3Confident81 Ų8193.7 Ų93.743%0.43350%0.495SS..Hα-helixtrans-68.2-32.6177.5-73.4-11.5000112.7T37 R38 L39 T44 K45T37-D41 WeakPolarHBondContact O-CB 3.04Å; T37-D41 VanDerWaalsContact O-CG 3.3Å; T37-D41 PolarHBondContact O-N 3.5Å; R38-D41 PolarHBondContact O-N 2.62Å; L39-D41 VanDerWaalsContact C-N 3.34Å; L39-D41 PolarHBondContact O-N 3.35Å; D41-T44 VanDerWaalsContact CA-OG1 3.29Å; D41-T44 WeakPolarHBondContact CA-OG1 3.48Å; D41-T44 PolarHBondContact O-OG1 2.92Å; D41-K45 WeakPolarHBondContact O-CB 3.46Å; D41-K45 WeakPolarHBondContact O-CG 3.47Å; D41-K45 PolarHBondContact O-N 3.49Å; D41-K45 VanDerWaalsContact O-N 3.1Å
42S76.9Confident69.5Low55 Ų5599.9 Ų99.939%0.38553%0.529SS..Hα-helixtrans-70-41.1173.548.90000112.8R38 L39 K45 E46R38-S42 PolarHBondContact O-N 3.47Å; R38-S42 PolarHBondContact O-OG 3.24Å; L39-S42 WeakPolarHBondContact CA-OG 3.28Å; L39-S42 PolarHBondContact O-N 2.92Å; L39-S42 PolarHBondContact O-OG 2.7Å; S42-K45 PolarHBondContact O-N 3.05Å; S42-E46 PolarHBondContact O-N 3.32Å
43E68.9Low66.7Low128 Ų128107.5 Ų107.560%0.59856%0.561SS**Hα-helixtrans-66-38.7176.7-72.1-177.7164.500111.9L39 K40 E46 A47L39-E43 PolarHBondContact O-N 3.45Å; L39-E43 VanDerWaalsContact O-N 3.09Å; K40-E43 PolarHBondContact O-N 3.2Å; E43-E46 PolarHBondContact O-N 2.91Å; E43-A47 PolarHBondContact O-N 2.98Å; E43-A47 VanDerWaalsContact O-N 3.11Å
44T61.7Low63.9Low81 Ų81110.2 Ų110.250%0.49758%0.577SS.*Hα-helixtrans-69.4-31.817528.60000112.9K40 D41 S48K40-T44 PolarHBondContact O-N 3.5Å; K40-T44 PolarHBondContact O-OG1 2.68Å; D41-T44 VanDerWaalsContact CA-OG1 3.29Å; D41-T44 WeakPolarHBondContact CA-OG1 3.48Å; D41-T44 PolarHBondContact O-OG1 2.92Å; T44-S48 WeakPolarHBondContact O-CB 3.33Å; T44-S48 PolarHBondContact O-N 2.81Å; T44-S48 VanDerWaalsContact O-N 3.17Å
45K57.3Low61.2Low136 Ų136113.8 Ų113.859%0.59161%0.607SS**Hα-helixtrans-68.9-43.3172.8-81.3174.8-179.2170.90111.9D41 S42 A47 S48 F49D41-K45 WeakPolarHBondContact O-CB 3.46Å; D41-K45 WeakPolarHBondContact O-CG 3.47Å; D41-K45 PolarHBondContact O-N 3.49Å; D41-K45 VanDerWaalsContact O-N 3.1Å; S42-K45 PolarHBondContact O-N 3.05Å; K45-A47 VanDerWaalsContact C-N 3.26Å; K45-A47 PolarHBondContact O-N 3.41Å; K45-S48 PolarHBondContact O-N 3.43Å; K45-F49 WeakPolarHBondContact O-CD2 3.29Å; K45-F49 PolarHBondContact O-N 3.29Å
46E54Low58.4Low164 Ų164116.7 Ų116.777%0.76664%0.638SS**Hα-helixtrans-62.3-34.2176.1-74.6-171.4163.600112.4S42 E43 S48S42-E46 PolarHBondContact O-N 3.32Å; E43-E46 PolarHBondContact O-N 2.91Å; E46-S48 VanDerWaalsContact C-N 3.33Å; E46-S48 PolarHBondContact O-N 3.27Å
47A50.8Low55.5Low84 Ų84119.5 Ų119.569%0.69466%0.663SS**Hα-helixtrans-71-23.8172.600000114E43 K45E43-A47 PolarHBondContact O-N 2.98Å; E43-A47 VanDerWaalsContact O-N 3.11Å; K45-A47 VanDerWaalsContact C-N 3.26Å; K45-A47 PolarHBondContact O-N 3.41Å
48S49.1Very low52.6Low93 Ų93127.8 Ų127.865%0.6569%0.686SS**Hα-helixtrans-92.5-9.7-176-168.70000114.7T44 K45 E46 G50T44-S48 WeakPolarHBondContact O-CB 3.33Å; T44-S48 PolarHBondContact O-N 2.81Å; T44-S48 VanDerWaalsContact O-N 3.17Å; K45-S48 PolarHBondContact O-N 3.43Å; E46-S48 VanDerWaalsContact C-N 3.33Å; E46-S48 PolarHBondContact O-N 3.27Å; S48-G50 VanDerWaalsContact C-N 3.29Å; S48-G50 PolarHBondContact O-N 2.95Å
49F42.5Very low49.9Very low184 Ų184125.7 Ų125.781%0.80770%0.698SS**SBendtrans-87.38176.7-82.3-73.5000114.1K45K45-F49 WeakPolarHBondContact O-CD2 3.29Å; K45-F49 PolarHBondContact O-N 3.29Å
50G40Very low47.1Very low65 Ų65126.9 Ų126.967%0.6772%0.723SS**SBendtrans-102.125.2-179.100000116.1S48S48-G50 VanDerWaalsContact C-N 3.29Å; S48-G50 PolarHBondContact O-N 2.95Å
51N40.7Very low44.4Very low144 Ų144130 Ų13077%0.7774%0.736SS**SBendtrans-173100.6162.4-123.55.4000111.4
52D32.3Very low41.7Very low162 Ų162130.7 Ų130.787%0.86675%0.753SS**  170.5114129.9-95.1-23.3000111.4
53Q32Very low39.5Very low181 Ų181134.3 Ų134.385%0.84677%0.772SS**  trans-82.4147.3162-70.8-179.33.100109.4
54N30.9Very low37.7Very low158 Ų158135.5 Ų135.585%0.84578%0.783SS**  trans72.3101.9168.3-79-16000118.6
55S31.3Very low36.1Very low127 Ų127140.6 Ų140.689%0.88880%0.799SS**  179.8146.1111.837.80000112.9
56A31.5Very low34.9Very low92 Ų92141.3 Ų141.376%0.7681%0.807SS**  trans-73.5158.7-172.200000114.5
57P31.2Very low33.9Very low131 Ų131141 Ų14185%0.85181%0.811SS**  trans-85.2130.7-179.932.9-29.9000111.6
58R29.5Very low33Very low250 Ų250145.9 Ų145.994%0.94382%0.819SS**  trans-118.8128.4163.8-91.3-170172.8-176.3-0.6111.3
59S30Very low32Very low129 Ų129145.9 Ų145.990%0.90283%0.825SS**  trans-21.8137.8158.71240000116.8
60G29.6Very low31.4Very low76 Ų76145.8 Ų145.878%0.78483%0.829SS**  trans177.4124.7160.200000115.1
61K29.1Very low31.1Very low208 Ų208151.2 Ų151.290%0.90484%0.837SS**  trans-57.9145.2-177.4-70.3163.8171.3177.20117.1
62A27Very low30.7Very low96 Ų96151.8 Ų151.879%0.79384%0.839SS**  trans30.2131.2133.900000121.7
63V30.1Very low30.6Very low131 Ų131150.9 Ų150.979%0.79483%0.833SS**  trans-155.2130.5135.7-129.90000111.3F65V63-F65 HydrophobicContact CB-CE2 4.49Å; V63-F65 HydrophobicContact CG1-CD2 4.46Å; V63-F65 HydrophobicContact CG1-CE2 3.96Å
64N31.7Very low30.8Very low153 Ų153147.8 Ų147.882%0.81883%0.832SS**  trans-80.4144.7163.2-82.7-16.6000109.4
65F26.9Very low31Very low189 Ų189149.4 Ų149.483%0.82984%0.835SS**  trans-140.1118.4152.5-86.6-82.2000110.4V63V63-F65 HydrophobicContact CB-CE2 4.49Å; V63-F65 HydrophobicContact CG1-CD2 4.46Å; V63-F65 HydrophobicContact CG1-CE2 3.96Å
66I32.2Very low31.2Very low150 Ų150151.3 Ų151.377%0.76984%0.835SS**  trans-78.5135.2156.6-64.3158.5000105.4
67D32.9Very low31.3Very low158 Ų158150.4 Ų150.485%0.84584%0.835SS**  trans-162.7115.8144.6-100.4-20.5000110
68E31.7Very low31.5Very low187 Ų187152.7 Ų152.787%0.87483%0.834SS**  trans-68.7140.7156.9-81.8175.4127.900109.7
69A28.2Very low31.6Very low92 Ų92149.8 Ų149.876%0.7683%0.831SS**  156.3126.512200000110
70M31.1Very low31.9Very low182 Ų182151.4 Ų151.490%0.89782%0.824SS**  -179.5120.3115.8-101.7-179.1162.300111.1
71Q32.5Very low32.2Very low179 Ų179156.4 Ų156.484%0.83683%0.827SS**  trans-57.9140.2158.8-69.4166.7-44.500110
72I32.8Very low32.6Very low157 Ų157153.5 Ų153.581%0.80582%0.821SS**  trans-133.9108.7153.6-54.2178.3000106.6
73D31Very low33.3Very low142 Ų142155.9 Ų155.976%0.75982%0.821SS**  trans-69.5133.7165-66-41.3000109.6
74S35.2Very low33.7Very low117 Ų117156.7 Ų156.782%0.81882%0.821SS**  trans-151.695.7151.8-86.40000108.6N76S74-N76 PolarHBondContact O-N 2.94Å
75E35.2Very low34Very low192 Ų192155.8 Ų155.890%0.89782%0.816SS**  trans-60.4121.8156.1-70.2177.3152.900108.8
76N34.9Very low34.8Very low167 Ų167155.3 Ų155.389%0.89382%0.822SS**  trans-152.1111.2148-127.616.9000106.8S74S74-N76 PolarHBondContact O-N 2.94Å
77G34Very low35.3Very low73 Ų73154.8 Ų154.875%0.75382%0.821SS**  trans-79.6137.1-177.500000112.2
78E34.9Very low36.1Very low179 Ų179156.9 Ų156.984%0.83683%0.826SS**  trans-136110147.5-76-179.3178.700105.1E80E78-E80 PolarHBondContact O-N 2.91Å
79E33Very low36.7Very low189 Ų189156.2 Ų156.288%0.88382%0.823SS**  trans-73.4105.5170.2-68.8172.816900106.7
80E36Very low37.7Very low162 Ų162160.2 Ų160.276%0.75782%0.823SS**  trans-92.7110.4161-63.8-133.7159.300107.4E78 D82E78-E80 PolarHBondContact O-N 2.91Å; E80-D82 PolarHBondContact O-N 2.92Å; E80-D82 VanDerWaalsContact O-N 3.15Å
81E36.3Very low38.9Very low181 Ų181158.3 Ų158.385%0.84682%0.815SS**  trans-70.493.2167.2-68.7179161.500107.9D83E81-D83 PolarHBondContact O-N 3.44Å
82D36.5Very low39.5Very low147 Ų147152.7 Ų152.779%0.78680%0.799SS**  trans-84.789.1163.7-77.6-28.5000108.5E80E80-D82 PolarHBondContact O-N 2.92Å; E80-D82 VanDerWaalsContact O-N 3.15Å
83D41.2Very low40.5Very low146 Ų146150.4 Ų150.478%0.78179%0.794SS**  trans-68.1115.4148-91.7-28.9000106.5E81E81-D83 PolarHBondContact O-N 3.44Å
84D39.5Very low41.7Very low148 Ų148149.7 Ų149.779%0.79180%0.795SS**  trans-177.6121.8143.5-87-25.5000112.2
85D38.7Very low42.7Very low134 Ų134151.1 Ų151.172%0.71779%0.792SS**  trans63.6113.2149.9-62.4-30.5000122.4D87D85-D87 PolarHBondContact O-N 3.02Å
86D43.8Very low44Very low180 Ų180145.7 Ų145.796%0.96377%0.769SS**  trans-63.660.5161.2-80.6-41.9000112
87D42.6Very low45.7Very low139 Ų139145.8 Ų145.874%0.74376%0.757SS**  trans-86.3109.2160.6-81.8-27000107.5D85 E89D85-D87 PolarHBondContact O-N 3.02Å; D87-E89 PolarHBondContact O-N 3.02Å
88E49Very low47.3Very low202 Ų202151.2 Ų151.294%0.94476%0.76SS**  trans-57.188.6170.7-77.2-176.7161.100109.4F90E88-F90 PolarHBondContact O-N 2.74Å
89E44.6Very low49.1Very low173 Ų173148.5 Ų148.581%0.80875%0.75SS**  trans-60.3112.4178-158.1178.3-15900107.6D87 I91D87-E89 PolarHBondContact O-N 3.02Å; E89-I91 PolarHBondContact O-N 2.95Å
90F49Very low51.2Low176 Ų176150.7 Ų150.777%0.77275%0.75SS**  trans-64.596.4178.3174.7-100000109.2E88 A92E88-F90 PolarHBondContact O-N 2.74Å; F90-A92 HydrophobicContact CE1-CB 4.15Å; F90-A92 PolarHBondContact O-N 2.94Å
91I56.2Low53.5Low142 Ų142154.8 Ų154.873%0.72876%0.759SS**  trans-71.7100173.8-55.1173.4000107.6E89E89-I91 PolarHBondContact O-N 2.95Å
92A44.9Very low55.8Low61 Ų61150.5 Ų150.550%0.50476%0.755SS.*  trans-57.6137173.300000109.8F90 V94F90-A92 HydrophobicContact CE1-CB 4.15Å; F90-A92 PolarHBondContact O-N 2.94Å; A92-V94 PolarHBondContact O-N 2.83Å
93P54.4Low58.3Low108 Ų108149.5 Ų149.570%0.70176%0.759SS**  trans-57.9128.9-179.720.1-29.8000110I95P93-I95 PolarHBondContact O-N 2.85Å
94V55.7Low60.6Low128 Ų128146.9 Ų146.978%0.77675%0.748SS**  trans-58.7103.7-175.4-176.30000109.5A92 N96A92-V94 PolarHBondContact O-N 2.83Å; V94-N96 PolarHBondContact O-N 2.85Å
95I55.8Low62.8Low146 Ų146145.5 Ų145.575%0.74975%0.749SS**  trans-73.286172.4-57.1176.2000107.1P93 R97P93-I95 PolarHBondContact O-N 2.85Å; I95-R97 HydrophobicContact CG2-CG 4.38Å; I95-R97 PolarHBondContact O-N 2.87Å
96N63.3Low65.2Low78 Ų78140.3 Ų140.342%0.41772%0.724SS.*  trans-7793178.3-170.5-9000109.5V94 F98 I99V94-N96 PolarHBondContact O-N 2.85Å; N96-F98 PolarHBondContact O-N 2.82Å; N96-F98 WeakPolarHBondContact OD1-CB 3.35Å; N96-F98 PolarHBondContact OD1-N 3.35Å; N96-I99 HydrophobicContact CB-CD1 3.66Å; N96-I99 HydrophobicContact CB-CG1 3.76Å; N96-I99 PolarHBondContact O-N 3.31Å
97R69.6Low67.2Low169 Ų169135.3 Ų135.364%0.63870%0.695SS**THydrogen-bonded Turntrans-59.6-10.3180-61.1-179.2-173.9167.56.4113.3E30 I95E30-R97 IonicContact OE1-CZ 3.57Å; E30-R97 IonicContact OE1-NH1 3.43Å; E30-R97 PolarHBondContact OE1-NH1 3.34Å; E30-R97 IonicContact OE1-NH2 3.8Å; E30-R97 PolarHBondContact OE1-NH2 3.17Å; I95-R97 HydrophobicContact CG2-CG 4.38Å; I95-R97 PolarHBondContact O-N 2.87Å
98F68.8Low69.3Low187 Ų187133.9 Ų133.982%0.8270%0.703SS**THydrogen-bonded Turntrans-94.7-4.9178.1-56-75.7000113.9N96 R100N96-F98 PolarHBondContact O-N 2.82Å; N96-F98 WeakPolarHBondContact OD1-CB 3.35Å; N96-F98 PolarHBondContact OD1-N 3.35Å; F98-R100 PolarHBondContact O-N 3.48Å
99I71.5Confident70.9Confident122 Ų122127.8 Ų127.863%0.62667%0.673SS**PPolyproline II helixtrans-70.7116175.4-63.4176000109.1N96N96-I99 HydrophobicContact CB-CD1 3.66Å; N96-I99 HydrophobicContact CB-CG1 3.76Å; N96-I99 PolarHBondContact O-N 3.31Å
100R78.8Confident72.9Confident236 Ų236122.7 Ų122.789%0.89165%0.651SS**PPolyproline II helixtrans-70.9131.8171.1-67-175.6-179.9-173.81.1109.1F98 A102F98-R100 PolarHBondContact O-N 3.48Å; R100-A102 PolarHBondContact O-N 3.3Å
101R82.8Confident74.4Confident247 Ų247116.5 Ų116.593%0.93263%0.629SS**PPolyproline II helixtrans-67.2116.3170.6-65.3-176.4178.3-151.2-1.4108.9
102A84.7Confident75.4Confident92 Ų92113.9 Ų113.976%0.7662%0.617SS**PPolyproline II helixtrans-75.8149.117400000110.6R100R100-A102 PolarHBondContact O-N 3.3Å
103S88.9Confident76.8Confident126 Ų126116.6 Ų116.688%0.88162%0.619SS**PPolyproline II helixtrans-74.4143.4169.2-60.30000109.9
104V89.6Confident76.8Confident90 Ų90118 Ų11855%0.54562%0.621SS.*  trans-117.7143.3171.5-63.20000109.1Y217V104-Y217 HydrophobicContact CB-CD1 4.21Å; V104-Y217 HydrophobicContact CB-CD2 3.98Å; V104-Y217 HydrophobicContact CB-CE1 4.39Å; V104-Y217 HydrophobicContact CB-CE2 4.16Å; V104-Y217 HydrophobicContact CB-CG 4.02Å; V104-Y217 HydrophobicContact CG1-CD2 3.95Å; V104-Y217 HydrophobicContact CG1-CE2 3.73Å; V104-Y217 HydrophobicContact CG1-CG 4.47Å; V104-Y217 HydrophobicContact CG2-CD1 3.99Å; V104-Y217 HydrophobicContact CG2-CE1 3.97Å; V104-Y217 HydrophobicContact CG2-CG 4.32Å
105C86.8Confident76.8Confident119 Ų119115.8 Ų115.880%0.80460%0.602SS**  trans-142.7141.8176.5-170.10000108.2
106A87.7Confident76.6Confident25 Ų25114.2 Ų114.221%0.20759%0.591CS.*  trans-110.8166.6174.200000108.8M216A106-M216 VanDerWaalsContact CB-O 3.23Å; A106-M216 WeakPolarHBondContact CB-O 3.33Å
107E86.1Confident76Confident75 Ų75118.1 Ų118.135%0.3561%0.612SS.*  trans-58143-174.7-5281.6-179.100111.3R238 L239 R242E107-R238 IonicContact OE1-CZ 2.69Å; E107-R238 IonicContact OE1-NH1 3.29Å; E107-R238 PolarHBondContact OE1-NH1 3.04Å; E107-R238 WeakPolarHBondContact OE2-CD 3.21Å; E107-L239 HydrophobicContact CB-CD2 4Å; E107-L239 HydrophobicContact CG-CD2 3.85Å; E107-R242 PolarHBondContact O-NH1 3.43Å; E107-R242 PolarHBondContact O-NH2 3.33Å; E107-R242 IonicContact OE2-NH1 3.91Å; E107-R242 PolarHBondContact OE2-NH1 3.01Å
108A86.4Confident75.3Confident109 Ų109117.8 Ų117.890%0.90162%0.615SS**  trans-74141.2177.100000110.3
109F83.4Confident74.7Confident75 Ų75113.2 Ų113.233%0.32960%0.596SS.*  trans-139.7130.6175.1176.7-103.7000109.2P111 R243 V246 K247F109-P111 WeakPolarHBondContact O-CD 3.29Å; F109-R243 HydrophobicContact CE2-CB 4.49Å; F109-R243 HydrophobicContact CE2-CG 3.85Å; F109-R243 HydrophobicContact CZ-CG 3.84Å; F109-V246 HydrophobicContact CD1-CB 3.94Å; F109-V246 HydrophobicContact CD1-CG1 3.64Å; F109-V246 HydrophobicContact CE1-CB 4.24Å; F109-V246 HydrophobicContact CE1-CG1 4.01Å; F109-K247 HydrophobicContact CE1-CB 4.45Å
110N86.1Confident74.2Confident65 Ų65113 Ų11335%0.34860%0.603SS.*  trans-90.7110.6176.8-173.8-1.7000109.9D112 E113N110-D112 PolarHBondContact O-N 2.84Å; N110-D112 PolarHBondContact OD1-N 2.92Å; N110-D112 VanDerWaalsContact OD1-N 3.12Å; N110-E113 HydrophobicContact CB-CB 4.39Å; N110-E113 HydrophobicContact CB-CG 4.09Å; N110-E113 WeakPolarHBondContact CB-OE1 3.44Å; N110-E113 WeakPolarHBondContact ND2-CG 3.32Å; N110-E113 PolarHBondContact ND2-OE1 3.19Å
111P81.4Confident73.8Confident47 Ų47110.9 Ų110.931%0.30560%0.595SS.*THydrogen-bonded Turntrans-69.2-20.3-179.826.1-33000114.4F109 V246 A250F109-P111 WeakPolarHBondContact O-CD 3.29Å; P111-V246 HydrophobicContact CB-CG1 3.95Å; P111-V246 HydrophobicContact CG-CG1 4.5Å; P111-A250 HydrophobicContact CB-CB 3.49Å; P111-A250 VanDerWaalsContact CB-CB 3.49Å; P111-A250 HydrophobicContact CG-CB 4.48Å
112D77.2Confident73.5Confident87 Ų87102.6 Ų102.647%0.46557%0.572SS.*THydrogen-bonded Turntrans-95.7-1.8-173.8-64.8-43.7000113.1N110 D114 K254N110-D112 PolarHBondContact O-N 2.84Å; N110-D112 PolarHBondContact OD1-N 2.92Å; N110-D112 VanDerWaalsContact OD1-N 3.12Å; D112-D114 PolarHBondContact O-N 3.24Å; D112-K254 WeakPolarHBondContact OD1-CE 3.44Å; D112-K254 IonicContact OD1-NZ 2.8Å; D112-K254 PolarHBondContact OD1-NZ 2.98Å
113E73.4Confident73.7Confident118 Ų118102.7 Ų102.755%0.55156%0.563SS**  trans-69105.9170.6-90.5161.8-148.200109.3N110 E115N110-E113 HydrophobicContact CB-CB 4.39Å; N110-E113 HydrophobicContact CB-CG 4.09Å; N110-E113 WeakPolarHBondContact CB-OE1 3.44Å; N110-E113 WeakPolarHBondContact ND2-CG 3.32Å; N110-E113 PolarHBondContact ND2-OE1 3.19Å; E113-E115 PolarHBondContact O-N 2.88Å
114D55.7Low73.9Confident138 Ų138100 Ų10074%0.73854%0.536SS*.  trans-67.850.5176.5-66.4-38.3000112.1D112 E116D112-D114 PolarHBondContact O-N 3.24Å; D114-E116 PolarHBondContact O-N 3.4Å; D114-E116 VanDerWaalsContact O-N 3.13Å
115E55.6Low74Confident81 Ų81101.6 Ų101.638%0.37955%0.548SS..THydrogen-bonded Turntrans-81.545.5161.3-60.8-152.4151.200109.9E113 D117 K247E113-E115 PolarHBondContact O-N 2.88Å; E115-D117 PolarHBondContact O-N 2.88Å; E115-K247 PolarHBondContact O-NZ 3.04Å
116E51.5Low74.3Confident112 Ų11297.8 Ų97.852%0.52352%0.518SS..THydrogen-bonded Turntrans-68.1-19.6169.8-86.4-165.7147.700111.8D114 K251D114-E116 PolarHBondContact O-N 3.4Å; D114-E116 VanDerWaalsContact O-N 3.13Å; E116-K251 IonicContact OE1-NZ 3.6Å; E116-K251 PolarHBondContact OE1-NZ 3.42Å
117D50.7Low74.6Confident160 Ų160100.1 Ų100.186%0.85653%0.53SS*.THydrogen-bonded Turntrans-110-4-172.6-73.5-34.3000116.2E115E115-D117 PolarHBondContact O-N 2.88Å
118K53.5Low75Confident162 Ų162103.2 Ų103.270%0.70455%0.549SS*.THydrogen-bonded Turntrans-109.7-28.4-170.2-70.6-176.4-174.7169.40116.1
119E57.4Low75.4Confident92 Ų92104.4 Ų104.443%0.4354%0.536SS..SBendtrans-109.5117.7-178-71.8-174.9147.300111R121 R243E119-R121 PolarHBondContact O-N 3.26Å; E119-R243 IonicContact OE1-CZ 2.75Å; E119-R243 IonicContact OE1-NH1 3.38Å; E119-R243 PolarHBondContact OE1-NH1 3.36Å; E119-R243 IonicContact OE1-NH2 2.84Å; E119-R243 IonicContact OE2-CZ 2.9Å; E119-R243 IonicContact OE2-NH1 2.87Å; E119-R243 PolarHBondContact OE2-NH1 3.46Å
120P61.3Low76Confident117 Ų117102.4 Ų102.476%0.7653%0.528SS*.  trans-61.9137.8176.525-31.3000109.9V122P120-V122 PolarHBondContact O-N 2.82Å; P120-V122 VanDerWaalsContact O-N 3.11Å
121R69.1Low76.4Confident191 Ų191103.1 Ų103.172%0.72153%0.526SS*.  trans-55.5119.7171.2-70.2-178.2179.1-177.3-3.2108.6E119 T123E119-R121 PolarHBondContact O-N 3.26Å; R121-T123 HydrophobicContact CB-CG2 4.25Å; R121-T123 PolarHBondContact O-N 3.21Å; R121-T123 VanDerWaalsContact O-N 3.08Å
122V77.9Confident77Confident74 Ų74106.2 Ų106.245%0.44854%0.536SS..  trans-65.1110.9173.8-178.70000107P120 H124 A158P120-V122 PolarHBondContact O-N 2.82Å; P120-V122 VanDerWaalsContact O-N 3.11Å; V122-H124 WeakPolarHBondContact CG1-NE2 3.23Å; V122-A158 WeakPolarHBondContact O-CA 3.2Å
123T87.9Confident77.7Confident94 Ų94107.4 Ų107.458%0.57753%0.534SS*.  trans-129.3118.3-179.751.40000108.4R121 D157R121-T123 HydrophobicContact CB-CG2 4.25Å; R121-T123 PolarHBondContact O-N 3.21Å; R121-T123 VanDerWaalsContact O-N 3.08Å; T123-D157 WeakPolarHBondContact CA-O 3.41Å; T123-D157 HydrophobicContact CG2-CB 4.25Å
124H92.4Very high78.7Confident68 Ų68101.9 Ų101.932%0.31551%0.508SS..  trans-107.2123.1175-64.6-79.3000108.5V122 K126 D157 A158 M159V122-H124 WeakPolarHBondContact CG1-NE2 3.23Å; H124-K126 PolarHBondContact O-NZ 3.41Å; H124-D157 PolarHBondContact N-O 3.47Å; H124-A158 PolarHBondContact CD2-O 3.32Å; H124-M159 VanDerWaalsContact CB-O 3.23Å; H124-M159 WeakPolarHBondContact CB-O 3.32Å
125P92.1Very high80.5Confident124 Ų124100.1 Ų100.181%0.80550%0.496SS*.  trans-62.4137.9-176.126.3-33.9000110.9
126K93.4Very high82.3Confident39 Ų39101.8 Ų101.817%0.1750%0.503CS..  trans-138.5145.2177.8-60.5-179.8-177.665.60108.5H124 Q130 L134 L156 M159 W234H124-K126 PolarHBondContact O-NZ 3.41Å; K126-Q130 HydrophobicContact CB-CB 4.49Å; K126-L134 HydrophobicContact CD-CD2 4.06Å; K126-L156 WeakPolarHBondContact CE-O 3.44Å; K126-L156 PolarHBondContact NZ-O 3.05Å; K126-M159 WeakPolarHBondContact CE-O 3.13Å; K126-M159 PolarHBondContact NZ-O 2.79Å; K126-W234 HydrophobicContact CD-CE3 4.41Å; K126-W234 HydrophobicContact CD-CH2 4.03Å; K126-W234 HydrophobicContact CD-CZ2 4.16Å; K126-W234 HydrophobicContact CD-CZ3 4.14Å; K126-W234 VanDerWaalsContact CE-CE3 3.46Å; K126-W234 HydrophobicContact CG-CH2 3.57Å; K126-W234 HydrophobicContact CG-CZ2 3.93Å; K126-W234 HydrophobicContact CG-CZ3 4.02Å
127T94.6Very high84.2Confident75 Ų7598.3 Ų98.346%0.4649%0.493SS..  trans-70.2157.216862.30000110.3E129 Q130 R131T127-E129 PolarHBondContact O-N 2.81Å; T127-Q130 PolarHBondContact O-N 3.42Å; T127-Q130 WeakPolarHBondContact OG1-CB 3.28Å; T127-Q130 VanDerWaalsContact OG1-CD 3.3Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.47Å; T127-Q130 PolarHBondContact OG1-N 3.3Å; T127-Q130 PolarHBondContact OG1-OE1 3.28Å; T127-R131 WeakPolarHBondContact O-CB 3.43Å; T127-R131 PolarHBondContact O-N 3.32Å
128D94.4Very high86.2Confident140 Ų14090.7 Ų90.775%0.74945%0.453SS*.Hα-helixtrans-59.4-36.4177.5-65.4-29.4000111.6R131 Q132D128-R131 PolarHBondContact O-N 3.14Å; D128-Q132 WeakPolarHBondContact O-CB 3.38Å; D128-Q132 PolarHBondContact O-N 3.06Å
129E95.1Very high88Confident133 Ų13392 Ų9262%0.62145%0.453SS*.Hα-helixtrans-66.4-45.5176.4-63.8-176.6-176.200112.6T127 R131 Q132 R133T127-E129 PolarHBondContact O-N 2.81Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 2.94Å; E129-Q132 PolarHBondContact O-N 3.36Å; E129-R133 PolarHBondContact O-N 2.9Å; E129-R133 IonicContact OE2-NH1 3.67Å
130Q94.4Very high89.4Confident34 Ų3494.2 Ų94.216%0.15947%0.468CS..Hα-helixtrans-61.2-42.9174.7-75.6168.1-45.600110.7K126 T127 Q132 R133 L134 W234K126-Q130 HydrophobicContact CB-CB 4.49Å; T127-Q130 PolarHBondContact O-N 3.42Å; T127-Q130 WeakPolarHBondContact OG1-CB 3.28Å; T127-Q130 VanDerWaalsContact OG1-CD 3.3Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.47Å; T127-Q130 PolarHBondContact OG1-N 3.3Å; T127-Q130 PolarHBondContact OG1-OE1 3.28Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.94Å; Q130-R133 PolarHBondContact O-N 3.21Å; Q130-L134 VanDerWaalsContact O-CB 3.25Å; Q130-L134 WeakPolarHBondContact O-CB 3.39Å; Q130-L134 PolarHBondContact O-N 3.37Å; Q130-W234 HydrophobicContact CB-CZ2 4.36Å; Q130-W234 HydrophobicContact CG-CZ2 4.49Å
131R94.6Very high90.9Very high80 Ų8089.6 Ų89.630%0.30244%0.437SS..Hα-helixtrans-62.5-41.7179-166.1177.4-157.9-1655.6111.8T127 D128 E129 L134 Q135 S153 L156 D157T127-R131 WeakPolarHBondContact O-CB 3.43Å; T127-R131 PolarHBondContact O-N 3.32Å; D128-R131 PolarHBondContact O-N 3.14Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 2.94Å; R131-L134 PolarHBondContact O-N 3.29Å; R131-Q135 WeakPolarHBondContact O-CB 3.46Å; R131-Q135 PolarHBondContact O-N 3.35Å; R131-S153 PolarHBondContact NH2-OG 3.48Å; R131-L156 HydrophobicContact CG-CD1 4.22Å; R131-D157 IonicContact CZ-OD1 3.93Å; R131-D157 IonicContact NE-OD1 2.69Å; R131-D157 IonicContact NH2-OD1 3.4Å; R131-D157 PolarHBondContact NH2-OD1 2.98Å; R131-D157 IonicContact NH2-OD2 3.24Å
132Q94.2Very high91.9Very high112 Ų11287 Ų8752%0.52344%0.437SS..Hα-helixtrans-63.4-49.2176-175.7-178.8-9.300111.5D128 E129 Q130 L134 Q135 E136D128-Q132 WeakPolarHBondContact O-CB 3.38Å; D128-Q132 PolarHBondContact O-N 3.06Å; E129-Q132 PolarHBondContact O-N 3.36Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.94Å; Q132-L134 VanDerWaalsContact C-N 3.3Å; Q132-L134 PolarHBondContact O-N 3.21Å; Q132-Q135 WeakPolarHBondContact O-CB 3.27Å; Q132-Q135 PolarHBondContact O-N 3.05Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.4Å; Q132-E136 PolarHBondContact NE2-OE1 3.48Å; Q132-E136 WeakPolarHBondContact O-CG 3.27Å; Q132-E136 PolarHBondContact O-N 3.2Å
133R93.5Very high92.5Very high111 Ų11185.2 Ų85.242%0.41943%0.425SS..Hα-helixtrans-58.3-42.9177.2-73.5-168.5-67-89.36.2112.1E129 Q130 E136 A137 E184E129-R133 PolarHBondContact O-N 2.9Å; E129-R133 IonicContact OE2-NH1 3.67Å; Q130-R133 PolarHBondContact O-N 3.21Å; R133-E136 PolarHBondContact O-N 3.24Å; R133-A137 WeakPolarHBondContact O-CB 3.31Å; R133-A137 PolarHBondContact O-N 2.93Å; R133-E184 IonicContact CZ-OE1 2.73Å; R133-E184 IonicContact NE-OE1 3.95Å; R133-E184 PolarHBondContact NE-OE1 3.06Å; R133-E184 IonicContact NH2-OE1 3.86Å; R133-E184 PolarHBondContact NH2-OE1 2.69Å
134L93.9Very high92.6Very high2 Ų281.1 Ų81.11%0.0140%0.399CS..Hα-helixtrans-66.1-39.6179-167.857.9000111.7K126 Q130 R131 Q132 A137 C138 L156 M159 V182 W234K126-L134 HydrophobicContact CD-CD2 4.06Å; Q130-L134 VanDerWaalsContact O-CB 3.25Å; Q130-L134 WeakPolarHBondContact O-CB 3.39Å; Q130-L134 PolarHBondContact O-N 3.37Å; R131-L134 PolarHBondContact O-N 3.29Å; Q132-L134 VanDerWaalsContact C-N 3.3Å; Q132-L134 PolarHBondContact O-N 3.21Å; L134-A137 PolarHBondContact O-N 3.48Å; L134-C138 WeakPolarHBondContact O-CB 3.09Å; L134-C138 PolarHBondContact O-N 2.93Å; L134-C138 PolarHBondContact O-SG 2.92Å; L134-C138 VanDerWaalsContact O-SG 3.36Å; L134-L156 HydrophobicContact CB-CD2 4.17Å; L134-L156 HydrophobicContact CD2-CD2 3.69Å; L134-L156 HydrophobicContact CG-CD2 3.53Å; L134-M159 HydrophobicContact CD1-CE 4.12Å; L134-M159 HydrophobicContact CD1-SD 3.94Å; L134-M159 HydrophobicContact CD2-CB 4.49Å; L134-M159 HydrophobicContact CD2-SD 3.67Å; L134-M159 HydrophobicContact CG-SD 3.98Å; L134-V182 HydrophobicContact CD1-CB 3.68Å; L134-V182 HydrophobicContact CD1-CG1 3.69Å; L134-V182 HydrophobicContact CD1-CG2 3.88Å; L134-W234 HydrophobicContact CD1-CB 3.83Å; L134-W234 HydrophobicContact CD1-CG 3.89Å; L134-W234 HydrophobicContact CD2-CB 4.25Å; L134-W234 HydrophobicContact CD2-CD2 4.19Å; L134-W234 HydrophobicContact CD2-CG 3.87Å; L134-W234 HydrophobicContact CG-CG 4.5Å
135Q93.4Very high92.5Very high102 Ų10284.4 Ų84.448%0.47741%0.412SS..Hα-helixtrans-63.7-41.2174-173.3175.5700112R131 Q132 R139 L156R131-Q135 WeakPolarHBondContact O-CB 3.46Å; R131-Q135 PolarHBondContact O-N 3.35Å; Q132-Q135 WeakPolarHBondContact O-CB 3.27Å; Q132-Q135 PolarHBondContact O-N 3.05Å; Q135-R139 PolarHBondContact O-N 3.45Å; Q135-L156 HydrophobicContact CB-CD1 4.11Å
136E92.3Very high92.2Very high116 Ų11685 Ų8554%0.54241%0.408SS..Hα-helixtrans-64.9-44.4175.6-72.2173.7-166.300111.5Q132 R133 C138 R139Q132-E136 WeakPolarHBondContact CG-OE1 3.4Å; Q132-E136 PolarHBondContact NE2-OE1 3.48Å; Q132-E136 WeakPolarHBondContact O-CG 3.27Å; Q132-E136 PolarHBondContact O-N 3.2Å; R133-E136 PolarHBondContact O-N 3.24Å; E136-C138 VanDerWaalsContact C-N 3.32Å; E136-C138 PolarHBondContact O-N 3.03Å; E136-R139 WeakPolarHBondContact O-CB 3.37Å; E136-R139 PolarHBondContact O-N 3.36Å
137A92.6Very high92Very high38 Ų3884.6 Ų84.631%0.31441%0.408SS..Hα-helixtrans-63.3-3517800000113.2R133 L134 V182R133-A137 WeakPolarHBondContact O-CB 3.31Å; R133-A137 PolarHBondContact O-N 2.93Å; L134-A137 PolarHBondContact O-N 3.48Å; A137-V182 HydrophobicContact CB-CG1 3.67Å
138C92.4Very high91.6Very high1 Ų182.9 Ų82.91%0.00740%0.396CS..Hα-helixtrans-81.2-13.4179.4-70.70000113.9L134 E136 D140 I141 F144L134-C138 WeakPolarHBondContact O-CB 3.09Å; L134-C138 PolarHBondContact O-N 2.93Å; L134-C138 PolarHBondContact O-SG 2.92Å; L134-C138 VanDerWaalsContact O-SG 3.36Å; E136-C138 VanDerWaalsContact C-N 3.32Å; E136-C138 PolarHBondContact O-N 3.03Å; C138-D140 PolarHBondContact O-N 3.41Å; C138-I141 PolarHBondContact O-N 2.92Å; C138-F144 HydrophobicContact CB-CB 4.2Å; C138-F144 HydrophobicContact CB-CD2 3.93Å; C138-F144 HydrophobicContact CB-CG 4.14Å; C138-F144 WeakPolarHBondContact O-CB 3.45Å
139R90.1Very high91.3Very high188 Ų18881.6 Ų81.671%0.70940%0.395SS*.THydrogen-bonded Turntrans-59.2-40.7-169-174.4178.8-177.9172.90.4114.3Q135 E136Q135-R139 PolarHBondContact O-N 3.45Å; E136-R139 WeakPolarHBondContact O-CB 3.37Å; E136-R139 PolarHBondContact O-N 3.36Å
140D88.8Confident91Very high139 Ų13981 Ų8174%0.74339%0.392SS*.THydrogen-bonded Turntrans-91.9-6.1-173.9-68.4-34.4000113.5C138C138-D140 PolarHBondContact O-N 3.41Å
141I91.8Very high90.8Very high20 Ų2079.7 Ų79.710%0.10339%0.386CS..SBendtrans-76.1128.2178.8-58.8177.6000109.3C138 L143 F144 K145 F180 E212C138-I141 PolarHBondContact O-N 2.92Å; I141-L143 HydrophobicContact CG2-CB 4.48Å; I141-L143 PolarHBondContact O-N 3.07Å; I141-L143 VanDerWaalsContact O-N 3.1Å; I141-F144 HydrophobicContact CB-CD2 3.71Å; I141-F144 HydrophobicContact CB-CE2 4.41Å; I141-F144 HydrophobicContact CD1-CD2 4Å; I141-F144 HydrophobicContact CD1-CE2 4.12Å; I141-F144 HydrophobicContact CG1-CD2 4.42Å; I141-F144 HydrophobicContact CG2-CD2 3.58Å; I141-F144 HydrophobicContact CG2-CE2 3.92Å; I141-F144 PolarHBondContact O-N 3.1Å; I141-K145 WeakPolarHBondContact O-CB 3.41Å; I141-K145 PolarHBondContact O-N 3.12Å; I141-F180 HydrophobicContact CD1-CE1 4.32Å; I141-F180 HydrophobicContact CD1-CE2 3.86Å; I141-F180 HydrophobicContact CD1-CZ 3.35Å; I141-E212 HydrophobicContact CG2-CB 4.18Å; I141-E212 HydrophobicContact CG2-CG 4.49Å
142L90.1Very high90.7Very high138 Ų13876.9 Ų76.972%0.72338%0.377SS*.Hα-helixtrans-52.2-39.5-173.9-178.664.8000113.8F144L142-F144 VanDerWaalsContact C-N 3.31Å; L142-F144 PolarHBondContact O-N 2.93Å
143L90.1Very high90.6Very high36 Ų3673.3 Ų73.319%0.18837%0.365CS..Hα-helixtrans-70.4-25.2-178.4-61.3-179.1000113.5I141 E212 L215 M216 F241I141-L143 HydrophobicContact CG2-CB 4.48Å; I141-L143 PolarHBondContact O-N 3.07Å; I141-L143 VanDerWaalsContact O-N 3.1Å; L143-E212 WeakPolarHBondContact CD1-O 3.23Å; L143-L215 HydrophobicContact CD1-CB 3.75Å; L143-L215 HydrophobicContact CD1-CD1 4.11Å; L143-L215 HydrophobicContact CD1-CG 4.47Å; L143-M216 HydrophobicContact CD1-CG 4.11Å; L143-M216 HydrophobicContact CD2-CG 3.99Å; L143-M216 HydrophobicContact CD2-SD 3.65Å; L143-F241 HydrophobicContact CB-CZ 4.1Å; L143-F241 HydrophobicContact CD1-CE1 4.49Å
144F91.5Very high90.5Very high8 Ų869.7 Ų69.74%0.03535%0.352CS..Hα-helixtrans-103.9-23.9-176.8-58-61.6000112.8C138 I141 L142 N146 L147 I152 V155 F180 L215 L236 F241C138-F144 HydrophobicContact CB-CB 4.2Å; C138-F144 HydrophobicContact CB-CD2 3.93Å; C138-F144 HydrophobicContact CB-CG 4.14Å; C138-F144 WeakPolarHBondContact O-CB 3.45Å; I141-F144 HydrophobicContact CB-CD2 3.71Å; I141-F144 HydrophobicContact CB-CE2 4.41Å; I141-F144 HydrophobicContact CD1-CD2 4Å; I141-F144 HydrophobicContact CD1-CE2 4.12Å; I141-F144 HydrophobicContact CG1-CD2 4.42Å; I141-F144 HydrophobicContact CG2-CD2 3.58Å; I141-F144 HydrophobicContact CG2-CE2 3.92Å; I141-F144 PolarHBondContact O-N 3.1Å; L142-F144 VanDerWaalsContact C-N 3.31Å; L142-F144 PolarHBondContact O-N 2.93Å; F144-N146 PolarHBondContact O-N 2.86Å; F144-N146 VanDerWaalsContact O-N 3.12Å; F144-L147 HydrophobicContact CB-CD1 4.43Å; F144-L147 HydrophobicContact CD1-CD1 3.72Å; F144-L147 WeakPolarHBondContact O-CB 3.41Å; F144-L147 PolarHBondContact O-N 2.8Å; F144-L147 VanDerWaalsContact O-N 3.12Å; F144-I152 HydrophobicContact CB-CD1 4.1Å; F144-I152 HydrophobicContact CD1-CD1 4.12Å; F144-I152 HydrophobicContact CG-CD1 4.38Å; F144-V155 HydrophobicContact CD1-CG1 4.15Å; F144-V155 HydrophobicContact CE1-CG1 3.63Å; F144-F180 AromaticContact CE2-CD1 3.96Å; F144-F180 HydrophobicContact CE2-CD1 3.96Å; F144-F180 AromaticContact CE2-CE1 3.49Å; F144-F180 HydrophobicContact CE2-CE1 3.49Å; F144-F180 VanDerWaalsContact CE2-CE1 3.49Å; F144-F180 AromaticContact CE2-CZ 3.91Å; F144-F180 HydrophobicContact CE2-CZ 3.91Å; F144-F180 AromaticContact CZ-CD1 3.91Å; F144-F180 HydrophobicContact CZ-CD1 3.91Å; F144-F180 AromaticContact CZ-CE1 3.84Å; F144-F180 HydrophobicContact CZ-CE1 3.84Å; F144-L215 HydrophobicContact CE1-CD1 4.38Å; F144-L215 HydrophobicContact CE2-CD1 4.31Å; F144-L215 HydrophobicContact CZ-CD1 3.6Å; F144-L236 HydrophobicContact CE1-CD2 4.17Å; F144-L236 HydrophobicContact CZ-CD2 4.09Å; F144-F241 AromaticContact CD1-CE2 3.99Å; F144-F241 HydrophobicContact CD1-CE2 3.99Å; F144-F241 AromaticContact CE1-CD2 3.89Å; F144-F241 HydrophobicContact CE1-CD2 3.89Å; F144-F241 AromaticContact CE1-CE2 3.45Å; F144-F241 HydrophobicContact CE1-CE2 3.45Å; F144-F241 VanDerWaalsContact CE1-CE2 3.45Å; F144-F241 HydrophobicContact CE1-CZ 4.27Å; F144-F241 HydrophobicContact CZ-CE2 4.31Å
145K88.5Confident90.5Very high137 Ų13769.6 Ų69.660%0.59635%0.352SS*.Hα-helixtrans-54.3-34.4-174.9-176.9173.4-179.5172.80115I141I141-K145 WeakPolarHBondContact O-CB 3.41Å; I141-K145 PolarHBondContact O-N 3.12Å
146N85.8Confident90.5Very high135 Ų13564.9 Ų64.972%0.72233%0.33SS*.THydrogen-bonded Turntrans-107.110.1-175.5-62.3-36.5000113.4F144F144-N146 PolarHBondContact O-N 2.86Å; F144-N146 VanDerWaalsContact O-N 3.12Å
147L89.5Confident90.6Very high32 Ų3261.6 Ų61.617%0.16832%0.316CS..  trans-74.6142.3175.6-62-175.1000110.4F144 Q151 I152 V155 F241 I245F144-L147 HydrophobicContact CB-CD1 4.43Å; F144-L147 HydrophobicContact CD1-CD1 3.72Å; F144-L147 WeakPolarHBondContact O-CB 3.41Å; F144-L147 PolarHBondContact O-N 2.8Å; F144-L147 VanDerWaalsContact O-N 3.12Å; L147-Q151 HydrophobicContact CB-CB 4.07Å; L147-Q151 HydrophobicContact CD2-CB 4.47Å; L147-I152 HydrophobicContact CB-CB 4.39Å; L147-I152 HydrophobicContact CD1-CD1 4.25Å; L147-V155 HydrophobicContact CD1-CG2 4.24Å; L147-F241 HydrophobicContact CD1-CE2 4.34Å; L147-I245 HydrophobicContact CD1-CD1 3.86Å; L147-I245 HydrophobicContact CD2-CD1 3.45Å; L147-I245 VanDerWaalsContact CD2-CD1 3.45Å; L147-I245 HydrophobicContact CD2-CG1 4.41Å; L147-I245 HydrophobicContact CG-CD1 4.31Å
148D86.6Confident90.7Very high39 Ų3960 Ų6021%0.20930%0.302CS..  trans-73.4161.617364.941.3000111.6E150 Q151 I152 K252D148-E150 PolarHBondContact O-N 2.8Å; D148-E150 VanDerWaalsContact O-N 3.12Å; D148-E150 PolarHBondContact OD1-N 3.28Å; D148-Q151 PolarHBondContact O-N 3.15Å; D148-Q151 VanDerWaalsContact O-N 3.1Å; D148-Q151 WeakPolarHBondContact OD1-CB 3.34Å; D148-Q151 WeakPolarHBondContact OD1-CG 3.25Å; D148-Q151 PolarHBondContact OD1-N 3.16Å; D148-I152 PolarHBondContact O-N 3.36Å; D148-K252 IonicContact OD2-NZ 3.83Å; D148-K252 PolarHBondContact OD2-NZ 2.75Å
149P88Confident90.8Very high112 Ų11259.9 Ų59.973%0.72730%0.302SS*.Hα-helixtrans-56.7-29.9-175.9-29.237.1000114.4I152 S153P149-I152 WeakPolarHBondContact O-CG2 3.4Å; P149-S153 VanDerWaalsContact O-CB 3.28Å; P149-S153 WeakPolarHBondContact O-CB 3.49Å; P149-S153 PolarHBondContact O-N 3.01Å; P149-S153 VanDerWaalsContact O-N 3.15Å
150E88.1Confident91Very high121 Ų12153.9 Ų53.957%0.56528%0.281SS*.Hα-helixtrans-74.7-45.1177.3-174.1175.5-178.200110.9D148 S153 Q154D148-E150 PolarHBondContact O-N 2.8Å; D148-E150 VanDerWaalsContact O-N 3.12Å; D148-E150 PolarHBondContact OD1-N 3.28Å; E150-S153 WeakPolarHBondContact O-CB 3.13Å; E150-S153 PolarHBondContact O-N 3.48Å; E150-Q154 WeakPolarHBondContact O-CG 3.27Å; E150-Q154 PolarHBondContact O-N 3.5Å
151Q90.6Very high91.4Very high7 Ų750.8 Ų50.83%0.03326%0.262CS..Hα-helixtrans-60.6-48.6175.7-75172.3-22.100112L147 D148 S153 Q154 V155 N248 N249L147-Q151 HydrophobicContact CB-CB 4.07Å; L147-Q151 HydrophobicContact CD2-CB 4.47Å; D148-Q151 PolarHBondContact O-N 3.15Å; D148-Q151 VanDerWaalsContact O-N 3.1Å; D148-Q151 WeakPolarHBondContact OD1-CB 3.34Å; D148-Q151 WeakPolarHBondContact OD1-CG 3.25Å; D148-Q151 PolarHBondContact OD1-N 3.16Å; Q151-S153 VanDerWaalsContact C-N 3.31Å; Q151-S153 PolarHBondContact O-N 3.08Å; Q151-Q154 PolarHBondContact O-N 3.36Å; Q151-V155 VanDerWaalsContact O-CG2 3.31Å; Q151-V155 WeakPolarHBondContact O-CG2 3.44Å; Q151-V155 PolarHBondContact O-N 3.11Å; Q151-N248 HydrophobicContact CG-CB 3.85Å; Q151-N249 PolarHBondContact NE2-OD1 2.84Å
152I92.2Very high91.6Very high21 Ų2152.6 Ų52.611%0.10827%0.269CS..Hα-helixtrans-63.7-39.5179-166.965.3000110.7F144 L147 D148 P149 Q154 V155 L156F144-I152 HydrophobicContact CB-CD1 4.1Å; F144-I152 HydrophobicContact CD1-CD1 4.12Å; F144-I152 HydrophobicContact CG-CD1 4.38Å; L147-I152 HydrophobicContact CB-CB 4.39Å; L147-I152 HydrophobicContact CD1-CD1 4.25Å; D148-I152 PolarHBondContact O-N 3.36Å; P149-I152 WeakPolarHBondContact O-CG2 3.4Å; I152-Q154 PolarHBondContact O-N 3.19Å; I152-V155 PolarHBondContact O-N 2.95Å; I152-L156 HydrophobicContact CG1-CD1 4.33Å; I152-L156 HydrophobicContact CG1-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.29Å; I152-L156 PolarHBondContact O-N 3.43Å
153S92.3Very high91.9Very high37 Ų3752.7 Ų52.726%0.25926%0.264SS..Hα-helixtrans-56.6-50.9173.9177.60000111.2R131 P149 E150 Q151 V155 L156 D157R131-S153 PolarHBondContact NH2-OG 3.48Å; P149-S153 VanDerWaalsContact O-CB 3.28Å; P149-S153 WeakPolarHBondContact O-CB 3.49Å; P149-S153 PolarHBondContact O-N 3.01Å; P149-S153 VanDerWaalsContact O-N 3.15Å; E150-S153 WeakPolarHBondContact O-CB 3.13Å; E150-S153 PolarHBondContact O-N 3.48Å; Q151-S153 VanDerWaalsContact C-N 3.31Å; Q151-S153 PolarHBondContact O-N 3.08Å; S153-V155 VanDerWaalsContact C-N 3.33Å; S153-V155 PolarHBondContact O-N 2.99Å; S153-L156 PolarHBondContact O-N 3.38Å; S153-D157 PolarHBondContact O-N 3.28Å
154Q92.1Very high92.2Very high35 Ų3551.2 Ų51.216%0.16426%0.257CS..Hα-helixtrans-64-37.7-179.4-69.7-179.724.100112.5E150 Q151 I152 D157 A158 I244 N248E150-Q154 WeakPolarHBondContact O-CG 3.27Å; E150-Q154 PolarHBondContact O-N 3.5Å; Q151-Q154 PolarHBondContact O-N 3.36Å; I152-Q154 PolarHBondContact O-N 3.19Å; Q154-D157 PolarHBondContact O-N 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.1Å; Q154-A158 PolarHBondContact O-N 3.25Å; Q154-A158 VanDerWaalsContact O-N 3.1Å; Q154-I244 HydrophobicContact CB-CG2 3.91Å; Q154-N248 PolarHBondContact NE2-OD1 2.93Å; Q154-N248 PolarHBondContact OE1-ND2 2.98Å; Q154-N248 PolarHBondContact OE1-OD1 2.65Å
155V93.6Very high92.5Very high0 Ų055.2 Ų55.20%028%0.282CS..Hα-helixtrans-61.8-49.4173.9165.70000110.6F144 L147 Q151 I152 S153 D157 A158 M159 L236 F241 I244 I245F144-V155 HydrophobicContact CD1-CG1 4.15Å; F144-V155 HydrophobicContact CE1-CG1 3.63Å; L147-V155 HydrophobicContact CD1-CG2 4.24Å; Q151-V155 VanDerWaalsContact O-CG2 3.31Å; Q151-V155 WeakPolarHBondContact O-CG2 3.44Å; Q151-V155 PolarHBondContact O-N 3.11Å; I152-V155 PolarHBondContact O-N 2.95Å; S153-V155 VanDerWaalsContact C-N 3.33Å; S153-V155 PolarHBondContact O-N 2.99Å; V155-D157 VanDerWaalsContact C-N 3.28Å; V155-D157 PolarHBondContact O-N 3.28Å; V155-A158 PolarHBondContact O-N 2.8Å; V155-A158 VanDerWaalsContact O-N 3.16Å; V155-M159 WeakPolarHBondContact O-CG 3.43Å; V155-M159 PolarHBondContact O-N 2.99Å; V155-L236 HydrophobicContact CG1-CD2 3.73Å; V155-F241 HydrophobicContact CG1-CD2 4.49Å; V155-F241 HydrophobicContact CG2-CD2 4.05Å; V155-F241 HydrophobicContact CG2-CE2 4.24Å; V155-I244 HydrophobicContact CG2-CG2 4.01Å; V155-I245 HydrophobicContact CG2-CD1 4.23Å
156L94.2Very high92.9Very high3 Ų355.4 Ų55.42%0.01629%0.285CS..Hα-helixtrans-61.7-37.9178.5-66.5178000111.5K126 R131 L134 Q135 I152 S153 A158 M159K126-L156 WeakPolarHBondContact CE-O 3.44Å; K126-L156 PolarHBondContact NZ-O 3.05Å; R131-L156 HydrophobicContact CG-CD1 4.22Å; L134-L156 HydrophobicContact CB-CD2 4.17Å; L134-L156 HydrophobicContact CD2-CD2 3.69Å; L134-L156 HydrophobicContact CG-CD2 3.53Å; Q135-L156 HydrophobicContact CB-CD1 4.11Å; I152-L156 HydrophobicContact CG1-CD1 4.33Å; I152-L156 HydrophobicContact CG1-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.29Å; I152-L156 PolarHBondContact O-N 3.43Å; S153-L156 PolarHBondContact O-N 3.38Å; L156-A158 VanDerWaalsContact C-N 3.28Å; L156-A158 PolarHBondContact O-N 2.85Å; L156-M159 HydrophobicContact CD2-SD 4.23Å; L156-M159 PolarHBondContact O-N 2.89Å
157D93.5Very high93.4Very high47 Ų4751.3 Ų51.325%0.25127%0.274SS..Hα-helixtrans-64.2-36.6177.7-62-19000111.3T123 H124 R131 S153 Q154 V155T123-D157 WeakPolarHBondContact CA-O 3.41Å; T123-D157 HydrophobicContact CG2-CB 4.25Å; H124-D157 PolarHBondContact N-O 3.47Å; R131-D157 IonicContact CZ-OD1 3.93Å; R131-D157 IonicContact NE-OD1 2.69Å; R131-D157 IonicContact NH2-OD1 3.4Å; R131-D157 PolarHBondContact NH2-OD1 2.98Å; R131-D157 IonicContact NH2-OD2 3.24Å; S153-D157 PolarHBondContact O-N 3.28Å; Q154-D157 PolarHBondContact O-N 3.29Å; V155-D157 VanDerWaalsContact C-N 3.28Å; V155-D157 PolarHBondContact O-N 3.28Å
158A94.1Very high93.8Very high3 Ų352.5 Ų52.53%0.02528%0.279CS..Hα-helixtrans-77.2-14.4179.500000114.9V122 H124 Q154 V155 L156 F160 L236 T240 I244V122-A158 WeakPolarHBondContact O-CA 3.2Å; H124-A158 PolarHBondContact CD2-O 3.32Å; Q154-A158 WeakPolarHBondContact O-CB 3.1Å; Q154-A158 PolarHBondContact O-N 3.25Å; Q154-A158 VanDerWaalsContact O-N 3.1Å; V155-A158 PolarHBondContact O-N 2.8Å; V155-A158 VanDerWaalsContact O-N 3.16Å; L156-A158 VanDerWaalsContact C-N 3.28Å; L156-A158 PolarHBondContact O-N 2.85Å; A158-F160 PolarHBondContact O-N 3.48Å; A158-L236 HydrophobicContact CB-CD1 4.25Å; A158-T240 HydrophobicContact CB-CG2 3.65Å; A158-I244 HydrophobicContact CB-CD1 3.66Å
159M95.4Very high94.3Very high0 Ų054.9 Ų54.90%029%0.289CS..PPolyproline II helixtrans-69.3129.6177.7-61.7-168.874.200111.3H124 K126 L134 V155 L156 F180 V182 W234 C235 L236H124-M159 VanDerWaalsContact CB-O 3.23Å; H124-M159 WeakPolarHBondContact CB-O 3.32Å; K126-M159 WeakPolarHBondContact CE-O 3.13Å; K126-M159 PolarHBondContact NZ-O 2.79Å; L134-M159 HydrophobicContact CD1-CE 4.12Å; L134-M159 HydrophobicContact CD1-SD 3.94Å; L134-M159 HydrophobicContact CD2-CB 4.49Å; L134-M159 HydrophobicContact CD2-SD 3.67Å; L134-M159 HydrophobicContact CG-SD 3.98Å; V155-M159 WeakPolarHBondContact O-CG 3.43Å; V155-M159 PolarHBondContact O-N 2.99Å; L156-M159 HydrophobicContact CD2-SD 4.23Å; L156-M159 PolarHBondContact O-N 2.89Å; M159-F180 HydrophobicContact CE-CD1 4.26Å; M159-F180 HydrophobicContact CE-CE1 4.22Å; M159-V182 HydrophobicContact CE-CB 4.5Å; M159-V182 HydrophobicContact CE-CG2 3.93Å; M159-W234 HydrophobicContact CB-CB 4.46Å; M159-W234 HydrophobicContact CB-CE3 4.41Å; M159-W234 HydrophobicContact CE-CB 3.64Å; M159-W234 HydrophobicContact SD-CB 4.46Å; M159-C235 CarbonylContact C-O 3.54Å; M159-C235 WeakPolarHBondContact CA-O 3.09Å; M159-L236 HydrophobicContact CE-CB 4.14Å; M159-L236 HydrophobicContact CG-CB 4.09Å; M159-L236 HydrophobicContact CG-CD1 4.15Å
160F95Very high94.7Very high62 Ų6250 Ų5027%0.27226%0.256SS..EExtended strand (participates in β ladder)trans-103.5151.7178.964.4-90.3000111.9A158 C235A158-F160 PolarHBondContact O-N 3.48Å; F160-C235 HydrophobicContact CD1-CB 4.11Å; F160-C235 WeakPolarHBondContact CD1-O 3.45Å; F160-C235 HydrophobicContact CD2-CB 3.88Å; F160-C235 HydrophobicContact CE1-CB 3.7Å; F160-C235 HydrophobicContact CE2-CB 3.45Å; F160-C235 VanDerWaalsContact CE2-CB 3.45Å; F160-C235 HydrophobicContact CG-CB 4.19Å; F160-C235 HydrophobicContact CZ-CB 3.35Å; F160-C235 PolarHBondContact N-O 2.86Å; F160-C235 PolarHBondContact O-N 2.89Å
161E96.2Very high95Very high73 Ų7345 Ų4534%0.34123%0.234SC..EExtended strand (participates in β ladder)trans-84.7134.6179.9-163.4171.3-152.200110.7F163 L233 W234E161-F163 HydrophobicContact CG-CE1 4.43Å; E161-F163 HydrophobicContact CG-CE2 4.17Å; E161-F163 HydrophobicContact CG-CZ 4Å; E161-F163 WeakPolarHBondContact OE2-CZ 3.49Å; E161-L233 CarbonylContact C-O 3.51Å; E161-L233 WeakPolarHBondContact CA-O 3.19Å; E161-W234 HydrophobicContact CB-CE3 4.11Å; E161-W234 HydrophobicContact CB-CH2 3.97Å; E161-W234 HydrophobicContact CB-CZ3 3.59Å; E161-W234 HydrophobicContact CG-CH2 4.27Å; E161-W234 HydrophobicContact CG-CZ3 4.27Å
162K96.1Very high95.2Very high59 Ų5947.3 Ų47.326%0.25725%0.246SC..EExtended strand (participates in β ladder)trans-123117.6171.2-179.1-178.3176.8-174.90108.7Y181 L233 C235K162-Y181 HydrophobicContact CD-CE1 4.38Å; K162-L233 PolarHBondContact N-O 3.49Å; K162-L233 PolarHBondContact O-N 2.83Å; K162-C235 WeakPolarHBondContact CB-SG 3.38Å
163F97.3Very high95.3Very high139 Ų13948.2 Ų48.261%0.6125%0.25SC*.EExtended strand (participates in β ladder)trans-81.2146.2169.6-63-76.8000110E161 A232E161-F163 HydrophobicContact CG-CE1 4.43Å; E161-F163 HydrophobicContact CG-CE2 4.17Å; E161-F163 HydrophobicContact CG-CZ 4Å; E161-F163 WeakPolarHBondContact OE2-CZ 3.49Å; F163-A232 HydrophobicContact CD1-CB 4.02Å; F163-A232 HydrophobicContact CE1-CB 4.07Å
164C96.1Very high95.3Very high6 Ų651.8 Ų51.84%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-132.8153.3175.360.40000111.3E168 I170 F188 A227 P230 G231C164-E168 WeakPolarHBondContact CA-OE2 3.3Å; C164-I170 HydrophobicContact CB-CD1 3.5Å; C164-I170 VanDerWaalsContact CB-CD1 3.5Å; C164-F188 VanDerWaalsContact SG-CE1 3.59Å; C164-A227 HydrophobicContact CB-CB 4.35Å; C164-P230 WeakPolarHBondContact O-CA 3.29Å; C164-G231 PolarHBondContact N-O 3Å; C164-G231 PolarHBondContact O-N 2.98Å; C164-G231 VanDerWaalsContact SG-C 3.55Å; C164-G231 PolarHBondContact SG-O 2.8Å; C164-G231 VanDerWaalsContact SG-O 3.36Å
165T97.7Very high95.2Very high91 Ų9154.4 Ų54.456%0.55828%0.281SS*.  trans-107.4158.9176.752.90000111.2G167 E168 A227T165-G167 PolarHBondContact O-N 2.94Å; T165-E168 PolarHBondContact N-OE2 3.11Å; T165-E168 WeakPolarHBondContact O-CB 3.1Å; T165-E168 PolarHBondContact O-N 3.45Å; T165-E168 PolarHBondContact OG1-OE2 3.03Å; T165-A227 WeakPolarHBondContact O-CB 3.44Å
166E97.4Very high95Very high142 Ų14259.4 Ų59.466%0.66431%0.308SS*.THydrogen-bonded Turntrans-58.8133.1175.6179.6178.8173.200111E168 T228E166-E168 VanDerWaalsContact C-N 3.31Å; E166-T228 WeakPolarHBondContact CG-O 3.35Å
167G95.8Very high94.5Very high48 Ų4859.2 Ų59.250%0.49531%0.307SS..THydrogen-bonded Turntrans83.7-3-174.700000114.5T165 A227T165-G167 PolarHBondContact O-N 2.94Å; G167-A227 WeakPolarHBondContact CA-O 3.49Å; G167-A227 PolarHBondContact N-O 2.96Å
168E97.2Very high93.9Very high57 Ų5761.2 Ų61.227%0.26632%0.317SS..  trans-75.7131.8179.5-170.4179.1154.700111.8C164 T165 E166 I170 I226 A227C164-E168 WeakPolarHBondContact CA-OE2 3.3Å; T165-E168 PolarHBondContact N-OE2 3.11Å; T165-E168 WeakPolarHBondContact O-CB 3.1Å; T165-E168 PolarHBondContact O-N 3.45Å; T165-E168 PolarHBondContact OG1-OE2 3.03Å; E166-E168 VanDerWaalsContact C-N 3.31Å; E168-I170 PolarHBondContact O-N 3.36Å; E168-I226 WeakPolarHBondContact O-CA 3.41Å; E168-A227 PolarHBondContact O-N 3.46Å
169H96.8Very high93.9Very high90 Ų9062.7 Ų62.742%0.41733%0.325SS..EExtended strand (participates in β ladder)trans-80.1118173.2-71.2-140.9000109.2D172 I226H169-D172 IonicContact CE1-OD1 3.03Å; H169-D172 IonicContact CG-OD1 3.75Å; H169-D172 IonicContact ND1-OD1 3.41Å; H169-D172 PolarHBondContact ND1-OD1 3.12Å; H169-D172 IonicContact ND1-OD2 2.81Å; H169-I226 WeakPolarHBondContact NE2-CD1 3.41Å
170I96.3Very high93.9Very high8 Ų862.7 Ų62.74%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-80.8-43.4179.2-52.3-53.1000110.5C164 E168 Y181 F188 F210 I225 A227 L233C164-I170 HydrophobicContact CB-CD1 3.5Å; C164-I170 VanDerWaalsContact CB-CD1 3.5Å; E168-I170 PolarHBondContact O-N 3.36Å; I170-Y181 HydrophobicContact CG2-CD1 4.22Å; I170-Y181 HydrophobicContact CG2-CE1 4.19Å; I170-F188 HydrophobicContact CD1-CE1 4.12Å; I170-F188 HydrophobicContact CG1-CD1 3.96Å; I170-F188 HydrophobicContact CG1-CE1 3.89Å; I170-F210 HydrophobicContact CG2-CE2 4Å; I170-F210 HydrophobicContact CG2-CZ 3.92Å; I170-I225 HydrophobicContact CB-CG2 4.37Å; I170-I225 HydrophobicContact CG1-CG2 4.38Å; I170-I225 PolarHBondContact N-O 2.98Å; I170-A227 HydrophobicContact CD1-CB 4.4Å; I170-L233 HydrophobicContact CD1-CD1 3.73Å; I170-L233 HydrophobicContact CG1-CD1 4.01Å; I170-L233 HydrophobicContact CG2-CD1 3.68Å
171I95.6Very high94Very high18 Ų1860.4 Ų60.49%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-144.6147.8171.955.7167.7000108.5Y181 F210 R221 T224 I225I171-Y181 HydrophobicContact CG2-CD2 4.27Å; I171-Y181 HydrophobicContact CG2-CE2 3.51Å; I171-F210 HydrophobicContact CD1-CD2 4Å; I171-F210 HydrophobicContact CD1-CE2 4.29Å; I171-F210 HydrophobicContact CG1-CE2 4.39Å; I171-R221 HydrophobicContact CB-CG 4.29Å; I171-R221 HydrophobicContact CD1-CG 4.33Å; I171-T224 CarbonylContact O-C 3.55Å; I171-T224 VanDerWaalsContact O-CA 3.31Å; I171-T224 WeakPolarHBondContact O-CA 3.28Å; I171-T224 WeakPolarHBondContact O-CG2 3.46Å; I171-I225 HydrophobicContact CD1-CB 4.5Å; I171-I225 HydrophobicContact CD1-CD1 3.73Å; I171-I225 HydrophobicContact CD1-CG1 4.01Å; I171-I225 HydrophobicContact CG1-CB 3.82Å; I171-I225 HydrophobicContact CG1-CD1 3.99Å; I171-I225 HydrophobicContact CG1-CG1 3.87Å; I171-I225 PolarHBondContact O-N 3.5Å
172D95Very high94Very high55 Ų5557 Ų5729%0.29430%0.299SS..  trans-108.8145.2172.5-71.3-66.3000110.2H169 D175 R221 T224H169-D172 IonicContact CE1-OD1 3.03Å; H169-D172 IonicContact CG-OD1 3.75Å; H169-D172 IonicContact ND1-OD1 3.41Å; H169-D172 PolarHBondContact ND1-OD1 3.12Å; H169-D172 IonicContact ND1-OD2 2.81Å; D172-D175 WeakPolarHBondContact O-CB 3.43Å; D172-D175 PolarHBondContact O-N 3.12Å; D172-R221 WeakPolarHBondContact O-CB 3.45Å; D172-R221 WeakPolarHBondContact O-CG 3.09Å; D172-T224 WeakPolarHBondContact OD1-CG2 3.35Å
173Q93.6Very high94Very high40 Ų4054.8 Ų54.819%0.18729%0.29CS..THydrogen-bonded Turntrans-59.7145.8173.1-176.3176.4-11.300110.3D175 K193 R221 T224Q173-D175 PolarHBondContact O-N 3.43Å; Q173-D175 VanDerWaalsContact O-N 3.13Å; Q173-K193 VanDerWaalsContact OE1-CB 3.23Å; Q173-R221 WeakPolarHBondContact CG-O 3.16Å; Q173-T224 PolarHBondContact N-OG1 2.81Å
174D91.4Very high94Very high111 Ų11149.7 Ų49.759%0.59427%0.268SS*.THydrogen-bonded Turntrans69.3-9-178.2-54.2-45.6000115.6R221D174-R221 PolarHBondContact N-O 2.7Å
175D91.5Very high94Very high91 Ų9151.5 Ų51.549%0.48728%0.28SS..SBendtrans-67.6153.5171.9-83.73.5000111.9D172 Q173 G177 P220 R221D172-D175 WeakPolarHBondContact O-CB 3.43Å; D172-D175 PolarHBondContact O-N 3.12Å; Q173-D175 PolarHBondContact O-N 3.43Å; Q173-D175 VanDerWaalsContact O-N 3.13Å; D175-G177 PolarHBondContact O-N 3.32Å; D175-P220 CarbonylContact O-C 3.53Å; D175-P220 VanDerWaalsContact O-CA 3.32Å; D175-P220 WeakPolarHBondContact O-CA 3.08Å; D175-R221 WeakPolarHBondContact O-CG 3.18Å; D175-R221 PolarHBondContact O-N 2.96Å
176D88.6Confident93.9Very high104 Ų10447.3 Ų47.356%0.55626%0.255SS*.BIsolated β-bridgetrans-62.3128.6174.2-79.7-37.1000110.9D178 N218D176-D178 PolarHBondContact O-N 3.06Å; D176-N218 PolarHBondContact OD1-ND2 3.01Å; D176-N218 PolarHBondContact OD1-OD1 2.93Å
177G83.7Confident94Very high0 Ų042.4 Ų42.40%024%0.235CC..  trans-92.196.8-174.800000113.4D175 A214 N218 T219 R221 R238D175-G177 PolarHBondContact O-N 3.32Å; G177-A214 WeakPolarHBondContact O-CB 3.25Å; G177-N218 PolarHBondContact N-OD1 3.03Å; G177-T219 PolarHBondContact N-O 2.89Å; G177-R221 VanDerWaalsContact CA-NE 3.26Å; G177-R238 PolarHBondContact O-NH2 3.31Å
178D81.6Confident94.1Very high88 Ų8840.1 Ų40.147%0.47121%0.212SC..  trans-96.3-28.7-177-65.8-30.7000115.7D176 R238D176-D178 PolarHBondContact O-N 3.06Å; D178-R238 PolarHBondContact O-N 3.3Å; D178-R238 VanDerWaalsContact O-N 3.09Å; D178-R238 IonicContact OD1-NH2 3.51Å
179N93.1Very high94.1Very high34 Ų3439.4 Ų39.418%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-120.7151.1-173.7-59.6-42.6000113Y181 R221 L236 D237N179-Y181 HydrophobicContact CB-CE1 4.21Å; N179-Y181 HydrophobicContact CB-CE2 3.83Å; N179-R221 PolarHBondContact O-NH1 3.35Å; N179-R221 VanDerWaalsContact O-NH1 3.08Å; N179-R221 PolarHBondContact O-NH2 3.05Å; N179-L236 CarbonylContact C-O 3.54Å; N179-L236 VanDerWaalsContact CA-O 3.28Å; N179-L236 WeakPolarHBondContact CA-O 3.35Å; N179-D237 VanDerWaalsContact OD1-CA 3.27Å; N179-D237 WeakPolarHBondContact OD1-CA 3.46Å; N179-D237 VanDerWaalsContact OD1-CB 3.3Å; N179-D237 WeakPolarHBondContact OD1-CB 3.27Å
180F95.8Very high94.2Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-97.7143162.2164.5-114.2000109.6I141 F144 M159 V182 F210 E212 L215 C235 L236I141-F180 HydrophobicContact CD1-CE1 4.32Å; I141-F180 HydrophobicContact CD1-CE2 3.86Å; I141-F180 HydrophobicContact CD1-CZ 3.35Å; F144-F180 AromaticContact CE2-CD1 3.96Å; F144-F180 HydrophobicContact CE2-CD1 3.96Å; F144-F180 AromaticContact CE2-CE1 3.49Å; F144-F180 HydrophobicContact CE2-CE1 3.49Å; F144-F180 VanDerWaalsContact CE2-CE1 3.49Å; F144-F180 AromaticContact CE2-CZ 3.91Å; F144-F180 HydrophobicContact CE2-CZ 3.91Å; F144-F180 AromaticContact CZ-CD1 3.91Å; F144-F180 HydrophobicContact CZ-CD1 3.91Å; F144-F180 AromaticContact CZ-CE1 3.84Å; F144-F180 HydrophobicContact CZ-CE1 3.84Å; M159-F180 HydrophobicContact CE-CD1 4.26Å; M159-F180 HydrophobicContact CE-CE1 4.22Å; F180-V182 HydrophobicContact CD1-CG2 4.35Å; F180-V182 HydrophobicContact CE1-CG2 3.36Å; F180-V182 HydrophobicContact CE2-CG2 4.36Å; F180-V182 HydrophobicContact CZ-CG2 3.36Å; F180-F210 WeakPolarHBondContact CD2-O 3.45Å; F180-E212 HydrophobicContact CD2-CB 3.89Å; F180-E212 HydrophobicContact CE2-CB 4.03Å; F180-L215 HydrophobicContact CB-CD1 3.71Å; F180-L215 HydrophobicContact CB-CD2 3.83Å; F180-L215 HydrophobicContact CB-CG 3.67Å; F180-L215 HydrophobicContact CD1-CD1 4.13Å; F180-L215 HydrophobicContact CG-CD1 4Å; F180-L215 HydrophobicContact CG-CG 4.46Å; F180-C235 CarbonylContact O-C 3.56Å; F180-C235 VanDerWaalsContact O-CA 3.3Å; F180-C235 WeakPolarHBondContact O-CA 3.5Å; F180-L236 HydrophobicContact CD1-CB 4.32Å; F180-L236 PolarHBondContact N-O 2.86Å; F180-L236 PolarHBondContact O-N 3.05Å
181Y96.4Very high94.1Very high14 Ų1438 Ų386%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-126139.3-176-58.1-89.2000111.7K162 I170 I171 N179 S209 F210 W234 C235K162-Y181 HydrophobicContact CD-CE1 4.38Å; I170-Y181 HydrophobicContact CG2-CD1 4.22Å; I170-Y181 HydrophobicContact CG2-CE1 4.19Å; I171-Y181 HydrophobicContact CG2-CD2 4.27Å; I171-Y181 HydrophobicContact CG2-CE2 3.51Å; N179-Y181 HydrophobicContact CB-CE1 4.21Å; N179-Y181 HydrophobicContact CB-CE2 3.83Å; Y181-S209 CarbonylContact O-C 3.54Å; Y181-S209 WeakPolarHBondContact O-CA 3.5Å; Y181-S209 WeakPolarHBondContact O-CB 3.42Å; Y181-F210 AromaticContact CD2-CD2 3.79Å; Y181-F210 HydrophobicContact CD2-CD2 3.79Å; Y181-F210 AromaticContact CD2-CE2 3.42Å; Y181-F210 HydrophobicContact CD2-CE2 3.42Å; Y181-F210 VanDerWaalsContact CD2-CE2 3.42Å; Y181-F210 HydrophobicContact CD2-CZ 4.37Å; Y181-F210 HydrophobicContact CE2-CE2 4.31Å; Y181-F210 HydrophobicContact CG-CD2 4.16Å; Y181-F210 AromaticContact CG-CE2 3.54Å; Y181-F210 HydrophobicContact CG-CE2 3.54Å; Y181-F210 HydrophobicContact CG-CZ 4.05Å; Y181-F210 PolarHBondContact N-O 3.48Å; Y181-F210 PolarHBondContact O-N 2.83Å; Y181-W234 CarbonylContact C-O 3.54Å; Y181-W234 VanDerWaalsContact CA-O 3.32Å; Y181-W234 WeakPolarHBondContact CA-O 3.27Å; Y181-C235 HydrophobicContact CD1-CB 4.19Å; Y181-C235 WeakPolarHBondContact CD1-SG 3.49Å; Y181-C235 HydrophobicContact CE1-CB 4.19Å; Y181-C235 WeakPolarHBondContact CE1-SG 3.29Å
182V97.1Very high94.1Very high3 Ų338.8 Ų38.82%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-122.8132.5169.5-174.80000108.9L134 A137 M159 F180 E184 L233 W234L134-V182 HydrophobicContact CD1-CB 3.68Å; L134-V182 HydrophobicContact CD1-CG1 3.69Å; L134-V182 HydrophobicContact CD1-CG2 3.88Å; A137-V182 HydrophobicContact CB-CG1 3.67Å; M159-V182 HydrophobicContact CE-CB 4.5Å; M159-V182 HydrophobicContact CE-CG2 3.93Å; F180-V182 HydrophobicContact CD1-CG2 4.35Å; F180-V182 HydrophobicContact CE1-CG2 3.36Å; F180-V182 HydrophobicContact CE2-CG2 4.36Å; F180-V182 HydrophobicContact CZ-CG2 3.36Å; V182-E184 PolarHBondContact O-N 2.9Å; V182-L233 CarbonylContact O-C 3.58Å; V182-L233 WeakPolarHBondContact O-CA 3.39Å; V182-W234 HydrophobicContact CB-CB 4.32Å; V182-W234 PolarHBondContact N-O 2.86Å; V182-W234 PolarHBondContact O-N 2.83Å
183I97Very high93.9Very high12 Ų1241.4 Ų41.46%0.06222%0.217CC..EExtended strand (participates in β ladder)trans-77.4120.9-178.9-63168000109.6F188 Y204 G208 F210 L233I183-F188 HydrophobicContact CB-CE2 4.49Å; I183-F188 HydrophobicContact CD1-CD2 3.76Å; I183-F188 HydrophobicContact CD1-CE2 4.14Å; I183-F188 HydrophobicContact CG1-CD2 4.14Å; I183-F188 HydrophobicContact CG1-CE2 4.01Å; I183-F188 HydrophobicContact CG2-CD2 4.29Å; I183-F188 HydrophobicContact CG2-CE2 3.72Å; I183-Y204 HydrophobicContact CD1-CD1 3.97Å; I183-Y204 HydrophobicContact CD1-CD2 3.71Å; I183-Y204 HydrophobicContact CD1-CG 3.38Å; I183-G208 PolarHBondContact N-O 3.43Å; I183-F210 HydrophobicContact CD1-CE1 4.08Å; I183-F210 HydrophobicContact CG1-CE1 4.01Å; I183-L233 HydrophobicContact CB-CD2 4.4Å; I183-L233 HydrophobicContact CG1-CD2 3.71Å
184E95.9Very high93.7Very high32 Ų3243.5 Ų43.515%0.1523%0.229CC..EExtended strand (participates in β ladder)trans-90.5-43.5170.3176.464.2-148.300110.6R133 V182 A232 W234R133-E184 IonicContact CZ-OE1 2.73Å; R133-E184 IonicContact NE-OE1 3.95Å; R133-E184 PolarHBondContact NE-OE1 3.06Å; R133-E184 IonicContact NH2-OE1 3.86Å; R133-E184 PolarHBondContact NH2-OE1 2.69Å; V182-E184 PolarHBondContact O-N 2.9Å; E184-A232 HydrophobicContact CB-CB 4.15Å; E184-A232 WeakPolarHBondContact CB-O 3.03Å; E184-A232 HydrophobicContact CG-CB 4.34Å; E184-A232 PolarHBondContact N-O 3.2Å; E184-W234 PolarHBondContact OE2-NE1 3.36Å
185S96.6Very high93.3Very high43 Ų4347.8 Ų47.830%0.30125%0.245SC..EExtended strand (participates in β ladder)trans-160.3161.2176.958.80000111.7N206 G231 A232S185-N206 WeakPolarHBondContact CA-OD1 3.42Å; S185-G231 CarbonylContact O-C 3.51Å; S185-G231 WeakPolarHBondContact O-CA 3.35Å; S185-A232 PolarHBondContact N-O 2.91Å; S185-A232 VanDerWaalsContact N-O 3.11Å; S185-A232 PolarHBondContact O-N 3.19Å; S185-A232 PolarHBondContact OG-N 2.71Å
186G96.6Very high92.8Very high3 Ų346.1 Ų46.13%0.03125%0.25CC..SBendtrans101.4169179.600000113.3N206 S229G186-N206 PolarHBondContact N-OD1 2.94Å; G186-N206 WeakPolarHBondContact O-CA 3.39Å; G186-N206 PolarHBondContact O-N 3.49Å; G186-S229 VanDerWaalsContact CA-OG 3.26Å; G186-S229 WeakPolarHBondContact CA-OG 3.49Å
187T97.9Very high92.8Very high40 Ų4044.1 Ų44.125%0.24525%0.248CC..EExtended strand (participates in β ladder)trans-109.9143.517754.30000110.2Y204 T228 S229T187-Y204 WeakPolarHBondContact CA-O 3.36Å; T187-T228 VanDerWaalsContact CB-OG1 3.24Å; T187-T228 WeakPolarHBondContact CB-OG1 3.49Å; T187-T228 PolarHBondContact O-N 3.43Å; T187-T228 PolarHBondContact O-OG1 2.74Å; T187-T228 VanDerWaalsContact O-OG1 3.05Å; T187-T228 PolarHBondContact OG1-OG1 2.91Å; T187-S229 PolarHBondContact N-OG 3.34Å; T187-S229 PolarHBondContact O-N 3.01Å; T187-S229 WeakPolarHBondContact OG1-CB 3.46Å; T187-S229 PolarHBondContact OG1-OG 3.39Å
188F98.3Very high93.1Very high0 Ų050.5 Ų50.50%028%0.278CS..EExtended strand (participates in β ladder)trans-139.9143-175.5-54.4-97.7000110.6C164 I170 I183 S203 Y204 I225 I226 A227 L233C164-F188 VanDerWaalsContact SG-CE1 3.59Å; I170-F188 HydrophobicContact CD1-CE1 4.12Å; I170-F188 HydrophobicContact CG1-CD1 3.96Å; I170-F188 HydrophobicContact CG1-CE1 3.89Å; I183-F188 HydrophobicContact CB-CE2 4.49Å; I183-F188 HydrophobicContact CD1-CD2 3.76Å; I183-F188 HydrophobicContact CD1-CE2 4.14Å; I183-F188 HydrophobicContact CG1-CD2 4.14Å; I183-F188 HydrophobicContact CG1-CE2 4.01Å; I183-F188 HydrophobicContact CG2-CD2 4.29Å; I183-F188 HydrophobicContact CG2-CE2 3.72Å; F188-S203 CarbonylContact O-C 3.47Å; F188-S203 WeakPolarHBondContact O-CA 3.3Å; F188-S203 WeakPolarHBondContact O-CB 3.34Å; F188-Y204 HydrophobicContact CB-CD2 4.35Å; F188-Y204 PolarHBondContact N-O 3.42Å; F188-Y204 PolarHBondContact O-N 2.85Å; F188-I225 HydrophobicContact CB-CG2 3.95Å; F188-I225 HydrophobicContact CD1-CG2 4.24Å; F188-I225 HydrophobicContact CG-CG2 4.44Å; F188-I226 CarbonylContact C-O 3.48Å; F188-I226 VanDerWaalsContact CA-O 3.3Å; F188-I226 WeakPolarHBondContact CA-O 3.46Å; F188-A227 HydrophobicContact CD1-CB 3.86Å; F188-A227 HydrophobicContact CE1-CB 3.79Å; F188-L233 HydrophobicContact CE1-CD1 4.06Å; F188-L233 HydrophobicContact CE1-CD2 4.3Å; F188-L233 HydrophobicContact CE1-CG 4.39Å; F188-L233 HydrophobicContact CE2-CD2 4.49Å; F188-L233 HydrophobicContact CZ-CD1 4.23Å; F188-L233 HydrophobicContact CZ-CD2 3.99Å; F188-L233 HydrophobicContact CZ-CG 4.08Å
189N97.9Very high93.7Very high42 Ų4252.6 Ų52.623%0.22528%0.283CS..EExtended strand (participates in β ladder)trans-105.8143.1173.5-80.3-8.2000110.6F191 L200 S203 I225 I226 T228N189-F191 HydrophobicContact CB-CD2 4.25Å; N189-F191 HydrophobicContact CB-CE2 3.47Å; N189-F191 VanDerWaalsContact CB-CE2 3.47Å; N189-F191 HydrophobicContact CB-CZ 3.93Å; N189-L200 HydrophobicContact CB-CD1 3.62Å; N189-S203 WeakPolarHBondContact OD1-CB 3.36Å; N189-I225 WeakPolarHBondContact O-CA 3.39Å; N189-I226 PolarHBondContact N-O 3.1Å; N189-I226 PolarHBondContact O-N 2.89Å; N189-T228 HydrophobicContact CB-CG2 4.07Å; N189-T228 WeakPolarHBondContact ND2-CG2 3.46Å
190I97.4Very high93.7Very high27 Ų2755.4 Ų55.414%0.13830%0.297CS..EExtended strand (participates in β ladder)trans-109.5119.7-179.6-47.3170.7000108.2V201 G202 Y204 A223 I225I190-V201 HydrophobicContact CB-CG2 3.93Å; I190-V201 HydrophobicContact CG2-CG2 3.59Å; I190-V201 WeakPolarHBondContact O-CG2 3.32Å; I190-V201 PolarHBondContact O-N 3.35Å; I190-G202 PolarHBondContact N-O 3.44Å; I190-Y204 HydrophobicContact CD1-CD2 3.9Å; I190-Y204 HydrophobicContact CD1-CE1 4.4Å; I190-Y204 HydrophobicContact CD1-CE2 3.35Å; I190-Y204 HydrophobicContact CG1-CD2 3.98Å; I190-Y204 HydrophobicContact CG1-CE2 3.72Å; I190-A223 HydrophobicContact CG2-CB 3.85Å; I190-I225 HydrophobicContact CG2-CG1 4.44Å
191F96Very high93.7Very high42 Ų4259.1 Ų59.118%0.18432%0.32CS..EExtended strand (participates in β ladder)trans-114138.6178.4-63.7-86.8000110.5N189 K199 L200 A223 T224 I226N189-F191 HydrophobicContact CB-CD2 4.25Å; N189-F191 HydrophobicContact CB-CE2 3.47Å; N189-F191 VanDerWaalsContact CB-CE2 3.47Å; N189-F191 HydrophobicContact CB-CZ 3.93Å; F191-K199 WeakPolarHBondContact CA-O 3.43Å; F191-L200 HydrophobicContact CD1-CB 4.18Å; F191-L200 HydrophobicContact CD1-CD1 4.26Å; F191-L200 HydrophobicContact CE1-CB 3.91Å; F191-L200 HydrophobicContact CE1-CD1 3.83Å; F191-L200 HydrophobicContact CE1-CG 4.46Å; F191-L200 HydrophobicContact CE2-CD1 4.27Å; F191-L200 HydrophobicContact CZ-CD1 3.84Å; F191-A223 CarbonylContact O-C 3.54Å; F191-A223 WeakPolarHBondContact O-CA 3.37Å; F191-A223 WeakPolarHBondContact O-CB 3.43Å; F191-T224 PolarHBondContact N-O 3.26Å; F191-T224 PolarHBondContact O-N 2.89Å; F191-I226 HydrophobicContact CD2-CD1 3.81Å; F191-I226 HydrophobicContact CD2-CG1 4.11Å; F191-I226 HydrophobicContact CE2-CB 4.36Å; F191-I226 HydrophobicContact CE2-CD1 3.76Å; F191-I226 HydrophobicContact CE2-CG1 4.19Å
192V94.7Very high93.7Very high34 Ų3459.8 Ų59.821%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-126.3129.7171.41790000108I194 K199 V201 A223V192-I194 HydrophobicContact CG1-CD1 4.5Å; V192-I194 HydrophobicContact CG1-CG1 3.94Å; V192-I194 PolarHBondContact O-N 3.43Å; V192-K199 PolarHBondContact N-O 3.43Å; V192-K199 PolarHBondContact O-N 3.25Å; V192-V201 HydrophobicContact CB-CG1 3.92Å; V192-V201 HydrophobicContact CB-CG2 4.49Å; V192-V201 HydrophobicContact CG2-CB 4.43Å; V192-V201 HydrophobicContact CG2-CG1 3.91Å; V192-V201 HydrophobicContact CG2-CG2 3.67Å; V192-A223 HydrophobicContact CG2-CB 3.76Å
193K91.3Very high93.6Very high109 Ų10963.6 Ų63.647%0.47436%0.357SS..EExtended strand (participates in β ladder)trans-80.7109.3174.5-164.3171.4-172.1168.40109Q173 G196 A197Q173-K193 VanDerWaalsContact OE1-CB 3.23Å; K193-G196 WeakPolarHBondContact CE-O 3.38Å; K193-A197 WeakPolarHBondContact CA-O 3.14Å
194I88.4Confident93.7Very high85 Ų8565.8 Ų65.844%0.43637%0.365SS..EExtended strand (participates in β ladder)trans-114.9121.5176.4-55.7176.2000106.3V192 G196 A197 K199V192-I194 HydrophobicContact CG1-CD1 4.5Å; V192-I194 HydrophobicContact CG1-CG1 3.94Å; V192-I194 PolarHBondContact O-N 3.43Å; I194-G196 PolarHBondContact O-N 3.3Å; I194-A197 PolarHBondContact N-O 2.92Å; I194-A197 PolarHBondContact O-N 3.45Å; I194-K199 HydrophobicContact CD1-CD 4.41Å
195E83.4Confident93.7Very high200 Ų20068.9 Ų68.994%0.93538%0.383SS*.THydrogen-bonded Turntrans54.429.9178.1-61.6178.1177.500114.4A197E195-A197 VanDerWaalsContact C-N 3.35Å
196G82.3Confident93.6Very high56 Ų5671 Ų7158%0.57739%0.391SS*.THydrogen-bonded Turntrans89.7-10.8179.300000115.1K193 I194K193-G196 WeakPolarHBondContact CE-O 3.38Å; I194-G196 PolarHBondContact O-N 3.3Å
197A87.9Confident93.5Very high63 Ų6378.4 Ų78.452%0.52142%0.422SS..EExtended strand (participates in β ladder)trans-96.5135.3174.800000111.4K193 I194 E195 K199K193-A197 WeakPolarHBondContact CA-O 3.14Å; I194-A197 PolarHBondContact N-O 2.92Å; I194-A197 PolarHBondContact O-N 3.45Å; E195-A197 VanDerWaalsContact C-N 3.35Å; A197-K199 PolarHBondContact O-N 2.99Å
198E89.9Confident93.3Very high133 Ų13377.7 Ų77.762%0.62142%0.423SS*.EExtended strand (participates in β ladder)trans-79.4116.9172.9-71.3179.5-179.200110
199K93.5Very high93.2Very high133 Ų13379.2 Ų79.258%0.57843%0.434SS*.EExtended strand (participates in β ladder)trans-108129.3176.4-170.6172.3-178.2174.50109.9F191 V192 I194 A197 V201F191-K199 WeakPolarHBondContact CA-O 3.43Å; V192-K199 PolarHBondContact N-O 3.43Å; V192-K199 PolarHBondContact O-N 3.25Å; I194-K199 HydrophobicContact CD1-CD 4.41Å; A197-K199 PolarHBondContact O-N 2.99Å; K199-V201 PolarHBondContact O-N 2.86Å
200L94.6Very high93.1Very high92 Ų9277.7 Ų77.748%0.48243%0.425SS..EExtended strand (participates in β ladder)trans-69.9112.8168.6-178.570.5000108.4N189 F191 G202N189-L200 HydrophobicContact CB-CD1 3.62Å; F191-L200 HydrophobicContact CD1-CB 4.18Å; F191-L200 HydrophobicContact CD1-CD1 4.26Å; F191-L200 HydrophobicContact CE1-CB 3.91Å; F191-L200 HydrophobicContact CE1-CD1 3.83Å; F191-L200 HydrophobicContact CE1-CG 4.46Å; F191-L200 HydrophobicContact CE2-CD1 4.27Å; F191-L200 HydrophobicContact CZ-CD1 3.84Å; L200-G202 WeakPolarHBondContact CD1-O 3.33Å
201V95.3Very high92.8Very high79 Ų7977.2 Ų77.248%0.47943%0.427SS..EExtended strand (participates in β ladder)trans-101.8-14.1-177.4-63.10000113I190 V192 K199I190-V201 HydrophobicContact CB-CG2 3.93Å; I190-V201 HydrophobicContact CG2-CG2 3.59Å; I190-V201 WeakPolarHBondContact O-CG2 3.32Å; I190-V201 PolarHBondContact O-N 3.35Å; V192-V201 HydrophobicContact CB-CG1 3.92Å; V192-V201 HydrophobicContact CB-CG2 4.49Å; V192-V201 HydrophobicContact CG2-CB 4.43Å; V192-V201 HydrophobicContact CG2-CG1 3.91Å; V192-V201 HydrophobicContact CG2-CG2 3.67Å; K199-V201 PolarHBondContact O-N 2.86Å
202G95.1Very high92.6Very high27 Ų2779.4 Ų79.428%0.27844%0.438SS..EExtended strand (participates in β ladder)trans174.9-179.9178.100000112.8I190 L200I190-G202 PolarHBondContact N-O 3.44Å; L200-G202 WeakPolarHBondContact CD1-O 3.33Å
203S96.6Very high92.3Very high83 Ų8381.3 Ų81.358%0.5845%0.446SS*.EExtended strand (participates in β ladder)trans-145.1150.2177.7600000110.8F188 N189F188-S203 CarbonylContact O-C 3.47Å; F188-S203 WeakPolarHBondContact O-CA 3.3Å; F188-S203 WeakPolarHBondContact O-CB 3.34Å; N189-S203 WeakPolarHBondContact OD1-CB 3.36Å
204Y97.5Very high92.2Very high58 Ų5876.2 Ų76.223%0.22742%0.424CS..EExtended strand (participates in β ladder)trans-104.5144.1168.3-64-68.3000110.7I183 T187 F188 I190 K207 F210 I225I183-Y204 HydrophobicContact CD1-CD1 3.97Å; I183-Y204 HydrophobicContact CD1-CD2 3.71Å; I183-Y204 HydrophobicContact CD1-CG 3.38Å; T187-Y204 WeakPolarHBondContact CA-O 3.36Å; F188-Y204 HydrophobicContact CB-CD2 4.35Å; F188-Y204 PolarHBondContact N-O 3.42Å; F188-Y204 PolarHBondContact O-N 2.85Å; I190-Y204 HydrophobicContact CD1-CD2 3.9Å; I190-Y204 HydrophobicContact CD1-CE1 4.4Å; I190-Y204 HydrophobicContact CD1-CE2 3.35Å; I190-Y204 HydrophobicContact CG1-CD2 3.98Å; I190-Y204 HydrophobicContact CG1-CE2 3.72Å; Y204-K207 WeakPolarHBondContact CD1-O 3.43Å; Y204-F210 HydrophobicContact CD2-CD1 4.26Å; Y204-F210 HydrophobicContact CD2-CE1 4.48Å; Y204-F210 AromaticContact CE2-CD1 3.69Å; Y204-F210 HydrophobicContact CE2-CD1 3.69Å; Y204-F210 HydrophobicContact CE2-CE1 4.32Å; Y204-F210 HydrophobicContact CE2-CG 4.46Å; Y204-I225 HydrophobicContact CE2-CD1 4.29Å
205D97Very high92.4Very high98 Ų9872.2 Ų72.252%0.52440%0.404SS..EExtended strand (participates in β ladder)trans-131.898.5177.2176.419.9000109.6K207D205-K207 WeakPolarHBondContact O-CG 3.35Å; D205-K207 PolarHBondContact O-N 3.26Å
206N95.1Very high92.6Very high86 Ų8667 Ų6746%0.4638%0.381SS..SBendtrans53.413.7177.2-66.5-79.3000115.7S185 G186S185-N206 WeakPolarHBondContact CA-OD1 3.42Å; G186-N206 PolarHBondContact N-OD1 2.94Å; G186-N206 WeakPolarHBondContact O-CA 3.39Å; G186-N206 PolarHBondContact O-N 3.49Å
207K94.4Very high92.8Very high159 Ų15967 Ų6769%0.69136%0.364SS*.  trans-158.2155.6179.773.4-168.8176.8179.50110.6Y204 D205Y204-K207 WeakPolarHBondContact CD1-O 3.43Å; D205-K207 WeakPolarHBondContact O-CG 3.35Å; D205-K207 PolarHBondContact O-N 3.26Å
208G93.7Very high92.7Very high26 Ų2667.3 Ų67.327%0.26836%0.357SS..  trans12417117700000111.8I183I183-G208 PolarHBondContact N-O 3.43Å
209S95.5Very high92.4Very high32 Ų3262.7 Ų62.722%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-148151.2179.562.80000109.4Y181Y181-S209 CarbonylContact O-C 3.54Å; Y181-S209 WeakPolarHBondContact O-CA 3.5Å; Y181-S209 WeakPolarHBondContact O-CB 3.42Å
210F94.8Very high92.2Very high10 Ų1059.8 Ų59.84%0.04433%0.332CS..EExtended strand (participates in β ladder)trans-153.1155.8-17951.3-96.1000112.1I170 I171 F180 Y181 I183 Y204 I225 L233I170-F210 HydrophobicContact CG2-CE2 4Å; I170-F210 HydrophobicContact CG2-CZ 3.92Å; I171-F210 HydrophobicContact CD1-CD2 4Å; I171-F210 HydrophobicContact CD1-CE2 4.29Å; I171-F210 HydrophobicContact CG1-CE2 4.39Å; F180-F210 WeakPolarHBondContact CD2-O 3.45Å; Y181-F210 AromaticContact CD2-CD2 3.79Å; Y181-F210 HydrophobicContact CD2-CD2 3.79Å; Y181-F210 AromaticContact CD2-CE2 3.42Å; Y181-F210 HydrophobicContact CD2-CE2 3.42Å; Y181-F210 VanDerWaalsContact CD2-CE2 3.42Å; Y181-F210 HydrophobicContact CD2-CZ 4.37Å; Y181-F210 HydrophobicContact CE2-CE2 4.31Å; Y181-F210 HydrophobicContact CG-CD2 4.16Å; Y181-F210 AromaticContact CG-CE2 3.54Å; Y181-F210 HydrophobicContact CG-CE2 3.54Å; Y181-F210 HydrophobicContact CG-CZ 4.05Å; Y181-F210 PolarHBondContact N-O 3.48Å; Y181-F210 PolarHBondContact O-N 2.83Å; I183-F210 HydrophobicContact CD1-CE1 4.08Å; I183-F210 HydrophobicContact CG1-CE1 4.01Å; Y204-F210 HydrophobicContact CD2-CD1 4.26Å; Y204-F210 HydrophobicContact CD2-CE1 4.48Å; Y204-F210 AromaticContact CE2-CD1 3.69Å; Y204-F210 HydrophobicContact CE2-CD1 3.69Å; Y204-F210 HydrophobicContact CE2-CE1 4.32Å; Y204-F210 HydrophobicContact CE2-CG 4.46Å; F210-I225 HydrophobicContact CB-CD1 3.87Å; F210-I225 HydrophobicContact CD1-CD1 3.62Å; F210-I225 HydrophobicContact CD2-CD1 3.3Å; F210-I225 HydrophobicContact CE1-CD1 3.89Å; F210-I225 HydrophobicContact CE1-CG2 4.32Å; F210-I225 HydrophobicContact CE2-CD1 3.57Å; F210-I225 HydrophobicContact CG-CD1 3.3Å; F210-I225 HydrophobicContact CZ-CD1 3.86Å; F210-I225 HydrophobicContact CZ-CG2 4.1Å; F210-L233 HydrophobicContact CE1-CD2 4.17Å; F210-L233 HydrophobicContact CZ-CD2 3.99Å
211G91.6Very high92.1Very high17 Ų1756.3 Ų56.318%0.17531%0.312CS..  trans82.123.5175.400000113.7L213 A214 R221G211-L213 PolarHBondContact O-N 3.2Å; G211-A214 WeakPolarHBondContact O-CB 3.18Å; G211-A214 PolarHBondContact O-N 3.29Å; G211-A214 VanDerWaalsContact O-N 3.09Å; G211-R221 VanDerWaalsContact CA-NH1 3.33Å
212E91.4Very high91.9Very high88 Ų8856.5 Ų56.541%0.41132%0.323SS..G310 helixtrans-61.4-30.9179.770-73.4177.300112.7I141 L143 F180 A214 L215I141-E212 HydrophobicContact CG2-CB 4.18Å; I141-E212 HydrophobicContact CG2-CG 4.49Å; L143-E212 WeakPolarHBondContact CD1-O 3.23Å; F180-E212 HydrophobicContact CD2-CB 3.89Å; F180-E212 HydrophobicContact CE2-CB 4.03Å; E212-A214 PolarHBondContact O-N 3.08Å; E212-L215 WeakPolarHBondContact O-CB 3.39Å; E212-L215 PolarHBondContact O-N 3.44Å
213L88.2Confident91.9Very high74 Ų7456 Ų5639%0.38732%0.316SS..G310 helixtrans-64.1-26.2176.6-168.960.6000112.4G211 L215 M216 Y217 T219G211-L213 PolarHBondContact O-N 3.2Å; L213-L215 PolarHBondContact O-N 2.96Å; L213-L215 VanDerWaalsContact O-N 3.14Å; L213-M216 HydrophobicContact CD1-CB 4.36Å; L213-M216 HydrophobicContact CD1-CG 4.38Å; L213-M216 WeakPolarHBondContact O-CB 3.47Å; L213-M216 PolarHBondContact O-N 3.49Å; L213-Y217 HydrophobicContact CD1-CE1 4.17Å; L213-T219 HydrophobicContact CB-CG2 4.32Å; L213-T219 HydrophobicContact CD2-CG2 3.95Å; L213-T219 HydrophobicContact CG-CG2 3.9Å
214A90.2Very high91.9Very high1 Ų152.8 Ų52.81%0.00829%0.292CS..G310 helixtrans-60.3-21.1173.700000112.7G177 G211 E212 M216 R238G177-A214 WeakPolarHBondContact O-CB 3.25Å; G211-A214 WeakPolarHBondContact O-CB 3.18Å; G211-A214 PolarHBondContact O-N 3.29Å; G211-A214 VanDerWaalsContact O-N 3.09Å; E212-A214 PolarHBondContact O-N 3.08Å; A214-M216 VanDerWaalsContact C-N 3.28Å; A214-M216 PolarHBondContact O-N 3.34Å; A214-R238 WeakPolarHBondContact O-CB 3.34Å; A214-R238 WeakPolarHBondContact O-CG 3.35Å; A214-R238 PolarHBondContact O-NE 2.92Å
215L91.7Very high91.8Very high1 Ų150.2 Ų50.21%0.00528%0.283CS..G310 helixtrans-77.9-14.4176.6-62.2-179.6000113.2L143 F144 F180 E212 L213 L236 F241L143-L215 HydrophobicContact CD1-CB 3.75Å; L143-L215 HydrophobicContact CD1-CD1 4.11Å; L143-L215 HydrophobicContact CD1-CG 4.47Å; F144-L215 HydrophobicContact CE1-CD1 4.38Å; F144-L215 HydrophobicContact CE2-CD1 4.31Å; F144-L215 HydrophobicContact CZ-CD1 3.6Å; F180-L215 HydrophobicContact CB-CD1 3.71Å; F180-L215 HydrophobicContact CB-CD2 3.83Å; F180-L215 HydrophobicContact CB-CG 3.67Å; F180-L215 HydrophobicContact CD1-CD1 4.13Å; F180-L215 HydrophobicContact CG-CD1 4Å; F180-L215 HydrophobicContact CG-CG 4.46Å; E212-L215 WeakPolarHBondContact O-CB 3.39Å; E212-L215 PolarHBondContact O-N 3.44Å; L213-L215 PolarHBondContact O-N 2.96Å; L213-L215 VanDerWaalsContact O-N 3.14Å; L215-L236 HydrophobicContact CD1-CD2 4.16Å; L215-L236 HydrophobicContact CD2-CD2 4.33Å; L215-L236 HydrophobicContact CD2-CG 4.3Å; L215-F241 HydrophobicContact CB-CD1 3.77Å; L215-F241 HydrophobicContact CB-CE1 4.13Å; L215-F241 HydrophobicContact CB-CG 4.38Å; L215-F241 HydrophobicContact CD1-CD1 4.21Å; L215-F241 HydrophobicContact CD1-CD2 4.37Å; L215-F241 HydrophobicContact CD1-CE1 4.48Å; L215-F241 HydrophobicContact CD1-CG 4.14Å; L215-F241 HydrophobicContact CD2-CB 3.95Å; L215-F241 HydrophobicContact CD2-CD1 4.45Å; L215-F241 HydrophobicContact CD2-CG 4.27Å; L215-F241 HydrophobicContact CG-CD1 4.36Å
216M88.2Confident91.8Very high92 Ų9246.9 Ų46.945%0.45327%0.265SS..THydrogen-bonded Turntrans-89.8-51.1-177.5-68.4-101.3-78.700111.9A106 L143 L213 A214A106-M216 VanDerWaalsContact CB-O 3.23Å; A106-M216 WeakPolarHBondContact CB-O 3.33Å; L143-M216 HydrophobicContact CD1-CG 4.11Å; L143-M216 HydrophobicContact CD2-CG 3.99Å; L143-M216 HydrophobicContact CD2-SD 3.65Å; L213-M216 HydrophobicContact CD1-CB 4.36Å; L213-M216 HydrophobicContact CD1-CG 4.38Å; L213-M216 WeakPolarHBondContact O-CB 3.47Å; L213-M216 PolarHBondContact O-N 3.49Å; A214-M216 VanDerWaalsContact C-N 3.28Å; A214-M216 PolarHBondContact O-N 3.34Å
217Y86.6Confident92Very high56 Ų5642.8 Ų42.822%0.2224%0.243CC..SBendtrans-162.6170.8-178.250-95.8000109.9V104 L213 T219 R238V104-Y217 HydrophobicContact CB-CD1 4.21Å; V104-Y217 HydrophobicContact CB-CD2 3.98Å; V104-Y217 HydrophobicContact CB-CE1 4.39Å; V104-Y217 HydrophobicContact CB-CE2 4.16Å; V104-Y217 HydrophobicContact CB-CG 4.02Å; V104-Y217 HydrophobicContact CG1-CD2 3.95Å; V104-Y217 HydrophobicContact CG1-CE2 3.73Å; V104-Y217 HydrophobicContact CG1-CG 4.47Å; V104-Y217 HydrophobicContact CG2-CD1 3.99Å; V104-Y217 HydrophobicContact CG2-CE1 3.97Å; V104-Y217 HydrophobicContact CG2-CG 4.32Å; L213-Y217 HydrophobicContact CD1-CE1 4.17Å; Y217-T219 HydrophobicContact CE2-CG2 4.49Å; Y217-T219 PolarHBondContact O-N 2.77Å; Y217-R238 PolarHBondContact O-NH2 3.32Å
218N85.7Confident92.1Very high69 Ų6937.5 Ų37.537%0.36922%0.224SC..  trans-70.3117174.9-163.824.1000110.6D176 G177 R238D176-N218 PolarHBondContact OD1-ND2 3.01Å; D176-N218 PolarHBondContact OD1-OD1 2.93Å; G177-N218 PolarHBondContact N-OD1 3.03Å; N218-R238 VanDerWaalsContact CA-CZ 3.47Å; N218-R238 VanDerWaalsContact N-CZ 3.26Å; N218-R238 VanDerWaalsContact N-NH1 3.18Å; N218-R238 PolarHBondContact OD1-NH2 2.84Å
219T83.7Confident92.3Very high35 Ų3537.7 Ų37.722%0.21522%0.221CC..  trans-136.5139.1176-175.50000108.6G177 L213 Y217G177-T219 PolarHBondContact N-O 2.89Å; L213-T219 HydrophobicContact CB-CG2 4.32Å; L213-T219 HydrophobicContact CD2-CG2 3.95Å; L213-T219 HydrophobicContact CG-CG2 3.9Å; Y217-T219 HydrophobicContact CE2-CG2 4.49Å; Y217-T219 PolarHBondContact O-N 2.77Å
220P89.5Confident92.4Very high72 Ų7240.6 Ų40.647%0.46824%0.239SC..BIsolated β-bridgetrans-55.9144.1170-24.133.9000110.8D175D175-P220 CarbonylContact O-C 3.53Å; D175-P220 VanDerWaalsContact O-CA 3.32Å; D175-P220 WeakPolarHBondContact O-CA 3.08Å
221R92.9Very high92.5Very high19 Ų1940.6 Ų40.67%0.07224%0.242CC..  trans-66.4135.6174.4-63.8-58.4-174.5179.3-3.8110.3I171 D172 Q173 D174 D175 G177 N179 G211 A223I171-R221 HydrophobicContact CB-CG 4.29Å; I171-R221 HydrophobicContact CD1-CG 4.33Å; D172-R221 WeakPolarHBondContact O-CB 3.45Å; D172-R221 WeakPolarHBondContact O-CG 3.09Å; Q173-R221 WeakPolarHBondContact CG-O 3.16Å; D174-R221 PolarHBondContact N-O 2.7Å; D175-R221 WeakPolarHBondContact O-CG 3.18Å; D175-R221 PolarHBondContact O-N 2.96Å; G177-R221 VanDerWaalsContact CA-NE 3.26Å; N179-R221 PolarHBondContact O-NH1 3.35Å; N179-R221 VanDerWaalsContact O-NH1 3.08Å; N179-R221 PolarHBondContact O-NH2 3.05Å; G211-R221 VanDerWaalsContact CA-NH1 3.33Å; R221-A223 VanDerWaalsContact C-N 3.34Å
222A91.3Very high92.8Very high84 Ų8440 Ų4069%0.69424%0.235SC*.SBendtrans-82.4-12.3179.100000113.9
223A94.1Very high93.1Very high17 Ų1735.8 Ų35.814%0.1422%0.216CC..SBendtrans-153.8152-174.600000110.9I190 F191 V192 R221I190-A223 HydrophobicContact CG2-CB 3.85Å; F191-A223 CarbonylContact O-C 3.54Å; F191-A223 WeakPolarHBondContact O-CA 3.37Å; F191-A223 WeakPolarHBondContact O-CB 3.43Å; V192-A223 HydrophobicContact CG2-CB 3.76Å; R221-A223 VanDerWaalsContact C-N 3.34Å
224T96.1Very high93.5Very high14 Ų1432.4 Ų32.49%0.08620%0.198CC..EExtended strand (participates in β ladder)trans-89.4138.1168.5-61.70000109.3I171 D172 Q173 F191 I226I171-T224 CarbonylContact O-C 3.55Å; I171-T224 VanDerWaalsContact O-CA 3.31Å; I171-T224 WeakPolarHBondContact O-CA 3.28Å; I171-T224 WeakPolarHBondContact O-CG2 3.46Å; D172-T224 WeakPolarHBondContact OD1-CG2 3.35Å; Q173-T224 PolarHBondContact N-OG1 2.81Å; F191-T224 PolarHBondContact N-O 3.26Å; F191-T224 PolarHBondContact O-N 2.89Å; T224-I226 HydrophobicContact CG2-CD1 4.2Å; T224-I226 HydrophobicContact CG2-CG1 3.87Å
225I96.9Very high93.8Very high4 Ų432.3 Ų32.32%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-124.1122.9176.4-62.4177.7000109.3I170 I171 F188 N189 I190 Y204 F210I170-I225 HydrophobicContact CB-CG2 4.37Å; I170-I225 HydrophobicContact CG1-CG2 4.38Å; I170-I225 PolarHBondContact N-O 2.98Å; I171-I225 HydrophobicContact CD1-CB 4.5Å; I171-I225 HydrophobicContact CD1-CD1 3.73Å; I171-I225 HydrophobicContact CD1-CG1 4.01Å; I171-I225 HydrophobicContact CG1-CB 3.82Å; I171-I225 HydrophobicContact CG1-CD1 3.99Å; I171-I225 HydrophobicContact CG1-CG1 3.87Å; I171-I225 PolarHBondContact O-N 3.5Å; F188-I225 HydrophobicContact CB-CG2 3.95Å; F188-I225 HydrophobicContact CD1-CG2 4.24Å; F188-I225 HydrophobicContact CG-CG2 4.44Å; N189-I225 WeakPolarHBondContact O-CA 3.39Å; I190-I225 HydrophobicContact CG2-CG1 4.44Å; Y204-I225 HydrophobicContact CE2-CD1 4.29Å; F210-I225 HydrophobicContact CB-CD1 3.87Å; F210-I225 HydrophobicContact CD1-CD1 3.62Å; F210-I225 HydrophobicContact CD2-CD1 3.3Å; F210-I225 HydrophobicContact CE1-CD1 3.89Å; F210-I225 HydrophobicContact CE1-CG2 4.32Å; F210-I225 HydrophobicContact CE2-CD1 3.57Å; F210-I225 HydrophobicContact CG-CD1 3.3Å; F210-I225 HydrophobicContact CZ-CD1 3.86Å; F210-I225 HydrophobicContact CZ-CG2 4.1Å
226I97.5Very high94Very high28 Ų2832.3 Ų32.314%0.14420%0.197CC..EExtended strand (participates in β ladder)trans-119.8130.6-176.3-50.8178.2000109E168 H169 F188 N189 F191 T224E168-I226 WeakPolarHBondContact O-CA 3.41Å; H169-I226 WeakPolarHBondContact NE2-CD1 3.41Å; F188-I226 CarbonylContact C-O 3.48Å; F188-I226 VanDerWaalsContact CA-O 3.3Å; F188-I226 WeakPolarHBondContact CA-O 3.46Å; N189-I226 PolarHBondContact N-O 3.1Å; N189-I226 PolarHBondContact O-N 2.89Å; F191-I226 HydrophobicContact CD2-CD1 3.81Å; F191-I226 HydrophobicContact CD2-CG1 4.11Å; F191-I226 HydrophobicContact CE2-CB 4.36Å; F191-I226 HydrophobicContact CE2-CD1 3.76Å; F191-I226 HydrophobicContact CE2-CG1 4.19Å; T224-I226 HydrophobicContact CG2-CD1 4.2Å; T224-I226 HydrophobicContact CG2-CG1 3.87Å
227A98.1Very high94.2Very high1 Ų129.7 Ų29.71%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-69.7129.4173.600000110.5C164 T165 G167 E168 I170 F188C164-A227 HydrophobicContact CB-CB 4.35Å; T165-A227 WeakPolarHBondContact O-CB 3.44Å; G167-A227 WeakPolarHBondContact CA-O 3.49Å; G167-A227 PolarHBondContact N-O 2.96Å; E168-A227 PolarHBondContact O-N 3.46Å; I170-A227 HydrophobicContact CD1-CB 4.4Å; F188-A227 HydrophobicContact CD1-CB 3.86Å; F188-A227 HydrophobicContact CE1-CB 3.79Å
228T97.4Very high94.4Very high48 Ų4827.4 Ų27.429%0.29418%0.176SC..SBendtrans-103.2-4.1175.355.10000112.7E166 T187 N189E166-T228 WeakPolarHBondContact CG-O 3.35Å; T187-T228 VanDerWaalsContact CB-OG1 3.24Å; T187-T228 WeakPolarHBondContact CB-OG1 3.49Å; T187-T228 PolarHBondContact O-N 3.43Å; T187-T228 PolarHBondContact O-OG1 2.74Å; T187-T228 VanDerWaalsContact O-OG1 3.05Å; T187-T228 PolarHBondContact OG1-OG1 2.91Å; N189-T228 HydrophobicContact CB-CG2 4.07Å; N189-T228 WeakPolarHBondContact ND2-CG2 3.46Å
229S97.8Very high94.6Very high29 Ų2928.7 Ų28.720%0.20318%0.182CC..SBendtrans-144.9164.2169.2770000109.5G186 T187 G231G186-S229 VanDerWaalsContact CA-OG 3.26Å; G186-S229 WeakPolarHBondContact CA-OG 3.49Å; T187-S229 PolarHBondContact N-OG 3.34Å; T187-S229 PolarHBondContact O-N 3.01Å; T187-S229 WeakPolarHBondContact OG1-CB 3.46Å; T187-S229 PolarHBondContact OG1-OG 3.39Å; S229-G231 PolarHBondContact O-N 2.92Å
230P97.8Very high94.9Very high93 Ų9328.4 Ų28.460%0.60418%0.18SC*.  trans-55.6140.2162.9-21.633.6000110.4C164C164-P230 WeakPolarHBondContact O-CA 3.29Å
231G96.4Very high95Very high10 Ų1025.7 Ų25.710%0.10316%0.161CC..EExtended strand (participates in β ladder)trans-162.8176.4-17400000113.5C164 S185 S229C164-G231 PolarHBondContact N-O 3Å; C164-G231 PolarHBondContact O-N 2.98Å; C164-G231 VanDerWaalsContact SG-C 3.55Å; C164-G231 PolarHBondContact SG-O 2.8Å; C164-G231 VanDerWaalsContact SG-O 3.36Å; S185-G231 CarbonylContact O-C 3.51Å; S185-G231 WeakPolarHBondContact O-CA 3.35Å; S229-G231 PolarHBondContact O-N 2.92Å
232A96.9Very high94.9Very high4 Ų427.7 Ų27.73%0.03317%0.169CC..EExtended strand (participates in β ladder)trans-133.2144.9177.500000110.6F163 E184 S185F163-A232 HydrophobicContact CD1-CB 4.02Å; F163-A232 HydrophobicContact CE1-CB 4.07Å; E184-A232 HydrophobicContact CB-CB 4.15Å; E184-A232 WeakPolarHBondContact CB-O 3.03Å; E184-A232 HydrophobicContact CG-CB 4.34Å; E184-A232 PolarHBondContact N-O 3.2Å; S185-A232 PolarHBondContact N-O 2.91Å; S185-A232 VanDerWaalsContact N-O 3.11Å; S185-A232 PolarHBondContact O-N 3.19Å; S185-A232 PolarHBondContact OG-N 2.71Å
233L97.4Very high94.8Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-132139.9-177.8-65.4149.4000109.6E161 K162 I170 V182 I183 F188 F210E161-L233 CarbonylContact C-O 3.51Å; E161-L233 WeakPolarHBondContact CA-O 3.19Å; K162-L233 PolarHBondContact N-O 3.49Å; K162-L233 PolarHBondContact O-N 2.83Å; I170-L233 HydrophobicContact CD1-CD1 3.73Å; I170-L233 HydrophobicContact CG1-CD1 4.01Å; I170-L233 HydrophobicContact CG2-CD1 3.68Å; V182-L233 CarbonylContact O-C 3.58Å; V182-L233 WeakPolarHBondContact O-CA 3.39Å; I183-L233 HydrophobicContact CB-CD2 4.4Å; I183-L233 HydrophobicContact CG1-CD2 3.71Å; F188-L233 HydrophobicContact CE1-CD1 4.06Å; F188-L233 HydrophobicContact CE1-CD2 4.3Å; F188-L233 HydrophobicContact CE1-CG 4.39Å; F188-L233 HydrophobicContact CE2-CD2 4.49Å; F188-L233 HydrophobicContact CZ-CD1 4.23Å; F188-L233 HydrophobicContact CZ-CD2 3.99Å; F188-L233 HydrophobicContact CZ-CG 4.08Å; F210-L233 HydrophobicContact CE1-CD2 4.17Å; F210-L233 HydrophobicContact CZ-CD2 3.99Å
234W97.6Very high94.5Very high3 Ų328.7 Ų28.71%0.01115%0.152CC..EExtended strand (participates in β ladder)trans-89.7126.4164.5-67.7108.6000109.7K126 Q130 L134 M159 E161 Y181 V182 E184K126-W234 HydrophobicContact CD-CE3 4.41Å; K126-W234 HydrophobicContact CD-CH2 4.03Å; K126-W234 HydrophobicContact CD-CZ2 4.16Å; K126-W234 HydrophobicContact CD-CZ3 4.14Å; K126-W234 VanDerWaalsContact CE-CE3 3.46Å; K126-W234 HydrophobicContact CG-CH2 3.57Å; K126-W234 HydrophobicContact CG-CZ2 3.93Å; K126-W234 HydrophobicContact CG-CZ3 4.02Å; Q130-W234 HydrophobicContact CB-CZ2 4.36Å; Q130-W234 HydrophobicContact CG-CZ2 4.49Å; L134-W234 HydrophobicContact CD1-CB 3.83Å; L134-W234 HydrophobicContact CD1-CG 3.89Å; L134-W234 HydrophobicContact CD2-CB 4.25Å; L134-W234 HydrophobicContact CD2-CD2 4.19Å; L134-W234 HydrophobicContact CD2-CG 3.87Å; L134-W234 HydrophobicContact CG-CG 4.5Å; M159-W234 HydrophobicContact CB-CB 4.46Å; M159-W234 HydrophobicContact CB-CE3 4.41Å; M159-W234 HydrophobicContact CE-CB 3.64Å; M159-W234 HydrophobicContact SD-CB 4.46Å; E161-W234 HydrophobicContact CB-CE3 4.11Å; E161-W234 HydrophobicContact CB-CH2 3.97Å; E161-W234 HydrophobicContact CB-CZ3 3.59Å; E161-W234 HydrophobicContact CG-CH2 4.27Å; E161-W234 HydrophobicContact CG-CZ3 4.27Å; Y181-W234 CarbonylContact C-O 3.54Å; Y181-W234 VanDerWaalsContact CA-O 3.32Å; Y181-W234 WeakPolarHBondContact CA-O 3.27Å; V182-W234 HydrophobicContact CB-CB 4.32Å; V182-W234 PolarHBondContact N-O 2.86Å; V182-W234 PolarHBondContact O-N 2.83Å; E184-W234 PolarHBondContact OE2-NE1 3.36Å
235C96.3Very high94.3Very high0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-114.7141.7-175.9-52.40000110.3M159 F160 K162 F180 Y181M159-C235 CarbonylContact C-O 3.54Å; M159-C235 WeakPolarHBondContact CA-O 3.09Å; F160-C235 HydrophobicContact CD1-CB 4.11Å; F160-C235 WeakPolarHBondContact CD1-O 3.45Å; F160-C235 HydrophobicContact CD2-CB 3.88Å; F160-C235 HydrophobicContact CE1-CB 3.7Å; F160-C235 HydrophobicContact CE2-CB 3.45Å; F160-C235 VanDerWaalsContact CE2-CB 3.45Å; F160-C235 HydrophobicContact CG-CB 4.19Å; F160-C235 HydrophobicContact CZ-CB 3.35Å; F160-C235 PolarHBondContact N-O 2.86Å; F160-C235 PolarHBondContact O-N 2.89Å; K162-C235 WeakPolarHBondContact CB-SG 3.38Å; F180-C235 CarbonylContact O-C 3.56Å; F180-C235 VanDerWaalsContact O-CA 3.3Å; F180-C235 WeakPolarHBondContact O-CA 3.5Å; Y181-C235 HydrophobicContact CD1-CB 4.19Å; Y181-C235 WeakPolarHBondContact CD1-SG 3.49Å; Y181-C235 HydrophobicContact CE1-CB 4.19Å; Y181-C235 WeakPolarHBondContact CE1-SG 3.29Å
236L95.5Very high93.9Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-132.7126.5172.9-175.465000109.9F144 V155 A158 M159 N179 F180 L215 F241F144-L236 HydrophobicContact CE1-CD2 4.17Å; F144-L236 HydrophobicContact CZ-CD2 4.09Å; V155-L236 HydrophobicContact CG1-CD2 3.73Å; A158-L236 HydrophobicContact CB-CD1 4.25Å; M159-L236 HydrophobicContact CE-CB 4.14Å; M159-L236 HydrophobicContact CG-CB 4.09Å; M159-L236 HydrophobicContact CG-CD1 4.15Å; N179-L236 CarbonylContact C-O 3.54Å; N179-L236 VanDerWaalsContact CA-O 3.28Å; N179-L236 WeakPolarHBondContact CA-O 3.35Å; F180-L236 HydrophobicContact CD1-CB 4.32Å; F180-L236 PolarHBondContact N-O 2.86Å; F180-L236 PolarHBondContact O-N 3.05Å; L215-L236 HydrophobicContact CD1-CD2 4.16Å; L215-L236 HydrophobicContact CD2-CD2 4.33Å; L215-L236 HydrophobicContact CD2-CG 4.3Å; L236-F241 HydrophobicContact CD2-CB 3.88Å; L236-F241 HydrophobicContact CD2-CD2 3.81Å; L236-F241 HydrophobicContact CD2-CG 4.17Å; L236-F241 HydrophobicContact CG-CB 4.16Å
237D92.5Very high93.5Very high37 Ų3733.2 Ų33.220%0.19818%0.175CC..EExtended strand (participates in β ladder)trans-84150.3177.672.2-83.6000112.3N179 L239 T240 F241N179-D237 VanDerWaalsContact OD1-CA 3.27Å; N179-D237 WeakPolarHBondContact OD1-CA 3.46Å; N179-D237 VanDerWaalsContact OD1-CB 3.3Å; N179-D237 WeakPolarHBondContact OD1-CB 3.27Å; D237-L239 PolarHBondContact O-N 2.8Å; D237-L239 PolarHBondContact OD2-N 3.36Å; D237-T240 VanDerWaalsContact CG-CB 3.45Å; D237-T240 WeakPolarHBondContact OD1-CB 3.34Å; D237-T240 PolarHBondContact OD1-OG1 3.09Å; D237-T240 VanDerWaalsContact OD2-CB 3.23Å; D237-T240 WeakPolarHBondContact OD2-CB 3.47Å; D237-T240 PolarHBondContact OD2-N 3.1Å; D237-T240 PolarHBondContact OD2-OG1 3.45Å; D237-F241 WeakPolarHBondContact O-CB 3.37Å; D237-F241 PolarHBondContact O-N 2.8Å
238R91.4Very high93Very high8 Ų834.1 Ų34.13%0.0318%0.179CC..Hα-helixtrans-56.8-45.8-179.8-174.2-169.1-52.1144.413.7112.8E107 G177 D178 A214 Y217 N218 F241 R242E107-R238 IonicContact OE1-CZ 2.69Å; E107-R238 IonicContact OE1-NH1 3.29Å; E107-R238 PolarHBondContact OE1-NH1 3.04Å; E107-R238 WeakPolarHBondContact OE2-CD 3.21Å; G177-R238 PolarHBondContact O-NH2 3.31Å; D178-R238 PolarHBondContact O-N 3.3Å; D178-R238 VanDerWaalsContact O-N 3.09Å; D178-R238 IonicContact OD1-NH2 3.51Å; A214-R238 WeakPolarHBondContact O-CB 3.34Å; A214-R238 WeakPolarHBondContact O-CG 3.35Å; A214-R238 PolarHBondContact O-NE 2.92Å; Y217-R238 PolarHBondContact O-NH2 3.32Å; N218-R238 VanDerWaalsContact CA-CZ 3.47Å; N218-R238 VanDerWaalsContact N-CZ 3.26Å; N218-R238 VanDerWaalsContact N-NH1 3.18Å; N218-R238 PolarHBondContact OD1-NH2 2.84Å; R238-F241 PolarHBondContact O-N 2.87Å; R238-R242 HydrophobicContact CG-CG 4.35Å; R238-R242 WeakPolarHBondContact O-CB 3.5Å; R238-R242 WeakPolarHBondContact O-CG 3.1Å; R238-R242 PolarHBondContact O-N 3.03Å
239L89.8Confident92.6Very high96 Ų9634.7 Ų34.750%0.50318%0.18SC..Hα-helixtrans-66.4-45.5-172.4-69176.5000110.9E107 D237 R242 R243E107-L239 HydrophobicContact CB-CD2 4Å; E107-L239 HydrophobicContact CG-CD2 3.85Å; D237-L239 PolarHBondContact O-N 2.8Å; D237-L239 PolarHBondContact OD2-N 3.36Å; L239-R242 PolarHBondContact O-N 3.25Å; L239-R243 WeakPolarHBondContact O-CB 3.36Å; L239-R243 PolarHBondContact O-N 2.92Å
240T90.6Very high92.2Very high29 Ų2934 Ų3418%0.17818%0.176CC..Hα-helixtrans-63.4-47.3176.4-61.30000110.9A158 D237 R242 R243 I244A158-T240 HydrophobicContact CB-CG2 3.65Å; D237-T240 VanDerWaalsContact CG-CB 3.45Å; D237-T240 WeakPolarHBondContact OD1-CB 3.34Å; D237-T240 PolarHBondContact OD1-OG1 3.09Å; D237-T240 VanDerWaalsContact OD2-CB 3.23Å; D237-T240 WeakPolarHBondContact OD2-CB 3.47Å; D237-T240 PolarHBondContact OD2-N 3.1Å; D237-T240 PolarHBondContact OD2-OG1 3.45Å; T240-R242 PolarHBondContact O-N 3.24Å; T240-R243 PolarHBondContact O-N 2.87Å; T240-I244 HydrophobicContact CG2-CD1 3.71Å; T240-I244 HydrophobicContact CG2-CG1 4.41Å; T240-I244 WeakPolarHBondContact O-CB 3.36Å; T240-I244 WeakPolarHBondContact O-CD1 3.45Å; T240-I244 WeakPolarHBondContact O-CG1 3.18Å; T240-I244 PolarHBondContact O-N 2.9Å
241F91.7Very high91.8Very high15 Ų1534.8 Ų34.87%0.06617%0.17CC..Hα-helixtrans-56.5-53.8175.8176-107.4000111.4L143 F144 L147 V155 L215 L236 D237 R238 R243 I244 I245L143-F241 HydrophobicContact CB-CZ 4.1Å; L143-F241 HydrophobicContact CD1-CE1 4.49Å; F144-F241 AromaticContact CD1-CE2 3.99Å; F144-F241 HydrophobicContact CD1-CE2 3.99Å; F144-F241 AromaticContact CE1-CD2 3.89Å; F144-F241 HydrophobicContact CE1-CD2 3.89Å; F144-F241 AromaticContact CE1-CE2 3.45Å; F144-F241 HydrophobicContact CE1-CE2 3.45Å; F144-F241 VanDerWaalsContact CE1-CE2 3.45Å; F144-F241 HydrophobicContact CE1-CZ 4.27Å; F144-F241 HydrophobicContact CZ-CE2 4.31Å; L147-F241 HydrophobicContact CD1-CE2 4.34Å; V155-F241 HydrophobicContact CG1-CD2 4.49Å; V155-F241 HydrophobicContact CG2-CD2 4.05Å; V155-F241 HydrophobicContact CG2-CE2 4.24Å; L215-F241 HydrophobicContact CB-CD1 3.77Å; L215-F241 HydrophobicContact CB-CE1 4.13Å; L215-F241 HydrophobicContact CB-CG 4.38Å; L215-F241 HydrophobicContact CD1-CD1 4.21Å; L215-F241 HydrophobicContact CD1-CD2 4.37Å; L215-F241 HydrophobicContact CD1-CE1 4.48Å; L215-F241 HydrophobicContact CD1-CG 4.14Å; L215-F241 HydrophobicContact CD2-CB 3.95Å; L215-F241 HydrophobicContact CD2-CD1 4.45Å; L215-F241 HydrophobicContact CD2-CG 4.27Å; L215-F241 HydrophobicContact CG-CD1 4.36Å; L236-F241 HydrophobicContact CD2-CB 3.88Å; L236-F241 HydrophobicContact CD2-CD2 3.81Å; L236-F241 HydrophobicContact CD2-CG 4.17Å; L236-F241 HydrophobicContact CG-CB 4.16Å; D237-F241 WeakPolarHBondContact O-CB 3.37Å; D237-F241 PolarHBondContact O-N 2.8Å; R238-F241 PolarHBondContact O-N 2.87Å; F241-R243 VanDerWaalsContact C-N 3.33Å; F241-R243 PolarHBondContact O-N 3.05Å; F241-I244 PolarHBondContact O-N 3.24Å; F241-I245 HydrophobicContact CD1-CG1 4.49Å; F241-I245 HydrophobicContact CD2-CG1 4.07Å; F241-I245 HydrophobicContact CE1-CG1 4.12Å; F241-I245 HydrophobicContact CE2-CD1 3.96Å; F241-I245 HydrophobicContact CE2-CG1 3.65Å; F241-I245 HydrophobicContact CG-CG1 4.49Å; F241-I245 HydrophobicContact CZ-CD1 4.32Å; F241-I245 HydrophobicContact CZ-CG1 3.69Å; F241-I245 WeakPolarHBondContact O-CG1 3.47Å; F241-I245 PolarHBondContact O-N 3.44Å
242R89.6Confident91.4Very high62 Ų6237.3 Ų37.323%0.23418%0.179CC..Hα-helixtrans-62.6-40.4-178.3-70.9-173.970.7-141.6-1.7112E107 R238 L239 T240 I245 V246E107-R242 PolarHBondContact O-NH1 3.43Å; E107-R242 PolarHBondContact O-NH2 3.33Å; E107-R242 IonicContact OE2-NH1 3.91Å; E107-R242 PolarHBondContact OE2-NH1 3.01Å; R238-R242 HydrophobicContact CG-CG 4.35Å; R238-R242 WeakPolarHBondContact O-CB 3.5Å; R238-R242 WeakPolarHBondContact O-CG 3.1Å; R238-R242 PolarHBondContact O-N 3.03Å; L239-R242 PolarHBondContact O-N 3.25Å; T240-R242 PolarHBondContact O-N 3.24Å; R242-I245 PolarHBondContact O-N 3.16Å; R242-V246 VanDerWaalsContact O-CB 3.3Å; R242-V246 WeakPolarHBondContact O-CB 3.36Å; R242-V246 VanDerWaalsContact O-CG2 3.26Å; R242-V246 WeakPolarHBondContact O-CG2 3.37Å; R242-V246 PolarHBondContact O-N 2.83Å
243R88.6Confident91.1Very high100 Ų10043 Ų4338%0.37720%0.199SC..Hα-helixtrans-59.5-48.5175.2-177.1177.7-70178.8-1.1111F109 E119 L239 T240 F241 K247F109-R243 HydrophobicContact CE2-CB 4.49Å; F109-R243 HydrophobicContact CE2-CG 3.85Å; F109-R243 HydrophobicContact CZ-CG 3.84Å; E119-R243 IonicContact OE1-CZ 2.75Å; E119-R243 IonicContact OE1-NH1 3.38Å; E119-R243 PolarHBondContact OE1-NH1 3.36Å; E119-R243 IonicContact OE1-NH2 2.84Å; E119-R243 IonicContact OE2-CZ 2.9Å; E119-R243 IonicContact OE2-NH1 2.87Å; E119-R243 PolarHBondContact OE2-NH1 3.46Å; L239-R243 WeakPolarHBondContact O-CB 3.36Å; L239-R243 PolarHBondContact O-N 2.92Å; T240-R243 PolarHBondContact O-N 2.87Å; F241-R243 VanDerWaalsContact C-N 3.33Å; F241-R243 PolarHBondContact O-N 3.05Å; R243-K247 WeakPolarHBondContact O-CB 3.48Å; R243-K247 PolarHBondContact O-N 2.75Å
244I89.1Confident90.7Very high21 Ų2147.5 Ų47.511%0.10822%0.219CC..Hα-helixtrans-59.5-49.4178.1-68165.3000110.6Q154 V155 A158 T240 F241 N248Q154-I244 HydrophobicContact CB-CG2 3.91Å; V155-I244 HydrophobicContact CG2-CG2 4.01Å; A158-I244 HydrophobicContact CB-CD1 3.66Å; T240-I244 HydrophobicContact CG2-CD1 3.71Å; T240-I244 HydrophobicContact CG2-CG1 4.41Å; T240-I244 WeakPolarHBondContact O-CB 3.36Å; T240-I244 WeakPolarHBondContact O-CD1 3.45Å; T240-I244 WeakPolarHBondContact O-CG1 3.18Å; T240-I244 PolarHBondContact O-N 2.9Å; F241-I244 PolarHBondContact O-N 3.24Å; I244-N248 WeakPolarHBondContact CG2-ND2 3.25Å; I244-N248 WeakPolarHBondContact O-CB 3.4Å; I244-N248 PolarHBondContact O-N 2.96Å; I244-N248 PolarHBondContact O-ND2 3.5Å
245I90.5Very high90.4Very high25 Ų2551.7 Ų51.713%0.12824%0.24CC..Hα-helixtrans-66.6-50.7-176.6-61.7-45.7000111.6L147 V155 F241 R242 N249L147-I245 HydrophobicContact CD1-CD1 3.86Å; L147-I245 HydrophobicContact CD2-CD1 3.45Å; L147-I245 VanDerWaalsContact CD2-CD1 3.45Å; L147-I245 HydrophobicContact CD2-CG1 4.41Å; L147-I245 HydrophobicContact CG-CD1 4.31Å; V155-I245 HydrophobicContact CG2-CD1 4.23Å; F241-I245 HydrophobicContact CD1-CG1 4.49Å; F241-I245 HydrophobicContact CD2-CG1 4.07Å; F241-I245 HydrophobicContact CE1-CG1 4.12Å; F241-I245 HydrophobicContact CE2-CD1 3.96Å; F241-I245 HydrophobicContact CE2-CG1 3.65Å; F241-I245 HydrophobicContact CG-CG1 4.49Å; F241-I245 HydrophobicContact CZ-CD1 4.32Å; F241-I245 HydrophobicContact CZ-CG1 3.69Å; F241-I245 WeakPolarHBondContact O-CG1 3.47Å; F241-I245 PolarHBondContact O-N 3.44Å; R242-I245 PolarHBondContact O-N 3.16Å; I245-N249 WeakPolarHBondContact CG2-ND2 3.48Å; I245-N249 VanDerWaalsContact O-CB 3.3Å; I245-N249 WeakPolarHBondContact O-CB 3.22Å; I245-N249 VanDerWaalsContact O-CG 3.24Å; I245-N249 PolarHBondContact O-N 3.1Å; I245-N249 PolarHBondContact O-ND2 3.49Å
246V90Very high90.1Very high48 Ų4852.1 Ų52.129%0.29124%0.241SC..Hα-helixtrans-66.2-42.4-176.2175.60000110.9F109 P111 R242 N249 A250F109-V246 HydrophobicContact CD1-CB 3.94Å; F109-V246 HydrophobicContact CD1-CG1 3.64Å; F109-V246 HydrophobicContact CE1-CB 4.24Å; F109-V246 HydrophobicContact CE1-CG1 4.01Å; P111-V246 HydrophobicContact CB-CG1 3.95Å; P111-V246 HydrophobicContact CG-CG1 4.5Å; R242-V246 VanDerWaalsContact O-CB 3.3Å; R242-V246 WeakPolarHBondContact O-CB 3.36Å; R242-V246 VanDerWaalsContact O-CG2 3.26Å; R242-V246 WeakPolarHBondContact O-CG2 3.37Å; R242-V246 PolarHBondContact O-N 2.83Å; V246-N249 PolarHBondContact O-N 3.37Å; V246-A250 WeakPolarHBondContact O-CB 3.24Å; V246-A250 PolarHBondContact O-N 3.36Å
247K87.8Confident89.9Confident69 Ų6954 Ų5430%0.325%0.25SC..Hα-helixtrans-64.3-47.5177.9-171.1172-175.2167.90112F109 E115 R243 N249 A250 K251F109-K247 HydrophobicContact CE1-CB 4.45Å; E115-K247 PolarHBondContact O-NZ 3.04Å; R243-K247 WeakPolarHBondContact O-CB 3.48Å; R243-K247 PolarHBondContact O-N 2.75Å; K247-N249 PolarHBondContact O-N 2.89Å; K247-A250 PolarHBondContact O-N 2.94Å; K247-K251 WeakPolarHBondContact O-CB 3.24Å; K247-K251 PolarHBondContact O-N 3.29Å
248N88Confident89.8Confident20 Ų2054.6 Ų54.611%0.10726%0.26CS..Hα-helixtrans-63.8-42.1177.5-79-58000112Q151 Q154 I244 A250 K251 K252Q151-N248 HydrophobicContact CG-CB 3.85Å; Q154-N248 PolarHBondContact NE2-OD1 2.93Å; Q154-N248 PolarHBondContact OE1-ND2 2.98Å; Q154-N248 PolarHBondContact OE1-OD1 2.65Å; I244-N248 WeakPolarHBondContact CG2-ND2 3.25Å; I244-N248 WeakPolarHBondContact O-CB 3.4Å; I244-N248 PolarHBondContact O-N 2.96Å; I244-N248 PolarHBondContact O-ND2 3.5Å; N248-A250 PolarHBondContact O-N 3.39Å; N248-K251 PolarHBondContact O-N 3.42Å; N248-K252 VanDerWaalsContact O-CB 3.25Å; N248-K252 WeakPolarHBondContact O-CB 3.34Å; N248-K252 PolarHBondContact O-N 2.86Å
249N89.8Confident89.8Confident59 Ų5955 Ų5532%0.31626%0.263SS..Hα-helixtrans-64.3-40.8177.7-75.2-21.7000112Q151 I245 V246 K247 K252 R253Q151-N249 PolarHBondContact NE2-OD1 2.84Å; I245-N249 WeakPolarHBondContact CG2-ND2 3.48Å; I245-N249 VanDerWaalsContact O-CB 3.3Å; I245-N249 WeakPolarHBondContact O-CB 3.22Å; I245-N249 VanDerWaalsContact O-CG 3.24Å; I245-N249 PolarHBondContact O-N 3.1Å; I245-N249 PolarHBondContact O-ND2 3.49Å; V246-N249 PolarHBondContact O-N 3.37Å; K247-N249 PolarHBondContact O-N 2.89Å; N249-K252 PolarHBondContact O-N 3.25Å; N249-R253 WeakPolarHBondContact O-CB 3.39Å; N249-R253 WeakPolarHBondContact O-CG 3.5Å; N249-R253 PolarHBondContact O-N 3.47Å
250A89.4Confident89.6Confident14 Ų1450.5 Ų50.512%0.11624%0.239CC..Hα-helixtrans-64.7-43.8175.300000112.1P111 V246 K247 N248 K252 R253 K254P111-A250 HydrophobicContact CB-CB 3.49Å; P111-A250 VanDerWaalsContact CB-CB 3.49Å; P111-A250 HydrophobicContact CG-CB 4.48Å; V246-A250 WeakPolarHBondContact O-CB 3.24Å; V246-A250 PolarHBondContact O-N 3.36Å; K247-A250 PolarHBondContact O-N 2.94Å; N248-A250 PolarHBondContact O-N 3.39Å; A250-K252 PolarHBondContact O-N 2.86Å; A250-R253 PolarHBondContact O-N 2.93Å; A250-K254 WeakPolarHBondContact O-CG 3.45Å; A250-K254 PolarHBondContact O-N 3.45Å
251K88Confident89.5Confident110 Ų11054.5 Ų54.548%0.47826%0.255SS..Hα-helixtrans-60.1-45.7174.7-174.3169.8-170.9147.50111.9E116 K247 N248 K254 M255E116-K251 IonicContact OE1-NZ 3.6Å; E116-K251 PolarHBondContact OE1-NZ 3.42Å; K247-K251 WeakPolarHBondContact O-CB 3.24Å; K247-K251 PolarHBondContact O-N 3.29Å; N248-K251 PolarHBondContact O-N 3.42Å; K251-K254 PolarHBondContact O-N 3.4Å; K251-M255 WeakPolarHBondContact O-CB 3.42Å; K251-M255 PolarHBondContact O-N 3.41Å
252K88.3Confident89.2Confident64 Ų6458.3 Ų58.328%0.27828%0.28SS..Hα-helixtrans-61.6-42.6176.4-171.8174.6-172.8169.20111.6D148 N248 N249 A250 M255 Y256D148-K252 IonicContact OD2-NZ 3.83Å; D148-K252 PolarHBondContact OD2-NZ 2.75Å; N248-K252 VanDerWaalsContact O-CB 3.25Å; N248-K252 WeakPolarHBondContact O-CB 3.34Å; N248-K252 PolarHBondContact O-N 2.86Å; N249-K252 PolarHBondContact O-N 3.25Å; A250-K252 PolarHBondContact O-N 2.86Å; K252-M255 PolarHBondContact O-N 3.08Å; K252-Y256 HydrophobicContact CD-CE2 4.21Å; K252-Y256 HydrophobicContact CG-CD2 3.81Å; K252-Y256 HydrophobicContact CG-CE2 3.58Å; K252-Y256 WeakPolarHBondContact O-CD2 3.19Å; K252-Y256 PolarHBondContact O-N 3.4Å
253R90.4Very high88.9Confident124 Ų12455.6 Ų55.647%0.46827%0.27SS..Hα-helixtrans-61-50.2174.7-81.2-177.8171.1139-2.7112.3N249 A250 M255 Y256 E257 V278 D279N249-R253 WeakPolarHBondContact O-CB 3.39Å; N249-R253 WeakPolarHBondContact O-CG 3.5Å; N249-R253 PolarHBondContact O-N 3.47Å; A250-R253 PolarHBondContact O-N 2.93Å; R253-M255 VanDerWaalsContact C-N 3.33Å; R253-M255 PolarHBondContact O-N 3.11Å; R253-Y256 PolarHBondContact O-N 3.38Å; R253-E257 WeakPolarHBondContact O-CB 3.33Å; R253-E257 PolarHBondContact O-N 3.32Å; R253-V278 HydrophobicContact CB-CG1 4.27Å; R253-V278 HydrophobicContact CG-CG1 3.93Å; R253-D279 IonicContact CZ-OD1 2.73Å; R253-D279 IonicContact NE-OD1 3.69Å; R253-D279 PolarHBondContact NE-OD1 3.44Å; R253-D279 IonicContact NH2-OD1 3.89Å; R253-D279 PolarHBondContact NH2-OD1 3.31Å
254K90.1Very high88.2Confident93 Ų9355.7 Ų55.740%0.40428%0.284SS..Hα-helixtrans-58.9-44176.8-73.6-179.9-179.7173.90111.9D112 A250 K251 E257 A258D112-K254 WeakPolarHBondContact OD1-CE 3.44Å; D112-K254 IonicContact OD1-NZ 2.8Å; D112-K254 PolarHBondContact OD1-NZ 2.98Å; A250-K254 WeakPolarHBondContact O-CG 3.45Å; A250-K254 PolarHBondContact O-N 3.45Å; K251-K254 PolarHBondContact O-N 3.4Å; K254-E257 PolarHBondContact O-N 2.89Å; K254-A258 WeakPolarHBondContact O-CB 3.41Å; K254-A258 PolarHBondContact O-N 3.46Å
255M90.2Very high87.4Confident92 Ų9255.1 Ų55.145%0.45328%0.281SS..Hα-helixtrans-61.8-45177.5-176.5-172.171.300111.9K251 K252 R253 F259K251-M255 WeakPolarHBondContact O-CB 3.42Å; K251-M255 PolarHBondContact O-N 3.41Å; K252-M255 PolarHBondContact O-N 3.08Å; R253-M255 VanDerWaalsContact C-N 3.33Å; R253-M255 PolarHBondContact O-N 3.11Å; M255-F259 WeakPolarHBondContact O-CB 3.47Å; M255-F259 PolarHBondContact O-N 3.39Å
256Y91.5Very high86.7Confident9 Ų954 Ų544%0.03528%0.275CS..Hα-helixtrans-73-34.9179.2-75.6-38.2000113.3K252 R253 F259 I260 T283 E306 L364K252-Y256 HydrophobicContact CD-CE2 4.21Å; K252-Y256 HydrophobicContact CG-CD2 3.81Å; K252-Y256 HydrophobicContact CG-CE2 3.58Å; K252-Y256 WeakPolarHBondContact O-CD2 3.19Å; K252-Y256 PolarHBondContact O-N 3.4Å; R253-Y256 PolarHBondContact O-N 3.38Å; Y256-F259 PolarHBondContact O-N 2.97Å; Y256-I260 WeakPolarHBondContact O-CB 3.2Å; Y256-I260 VanDerWaalsContact O-CG1 3.22Å; Y256-I260 WeakPolarHBondContact O-CG1 3.26Å; Y256-I260 PolarHBondContact O-N 2.84Å; Y256-T283 PolarHBondContact OH-OG1 2.95Å; Y256-T283 VanDerWaalsContact OH-OG1 3.07Å; Y256-E306 HydrophobicContact CE1-CG 4.47Å; Y256-E306 WeakPolarHBondContact CE1-OE2 3.32Å; Y256-E306 PolarHBondContact OH-OE2 2.83Å; Y256-L364 HydrophobicContact CD1-CD1 3.97Å; Y256-L364 HydrophobicContact CD1-CD2 4.28Å; Y256-L364 HydrophobicContact CE1-CD1 3.96Å; Y256-L364 HydrophobicContact CE1-CD2 3.55Å; Y256-L364 HydrophobicContact CE1-CG 4.34Å; Y256-L364 HydrophobicContact CE2-CD2 4.45Å
257E91.1Very high86.1Confident38 Ų3856 Ų5618%0.17829%0.288CS..Hα-helixtrans-59-51.7171.4-173.8-164.3-174.200110.7R253 K254 F259 I260 E261 R274 M275 V278R253-E257 WeakPolarHBondContact O-CB 3.33Å; R253-E257 PolarHBondContact O-N 3.32Å; K254-E257 PolarHBondContact O-N 2.89Å; E257-F259 PolarHBondContact O-N 2.98Å; E257-I260 PolarHBondContact O-N 2.85Å; E257-I260 VanDerWaalsContact O-N 3.16Å; E257-E261 PolarHBondContact O-N 3.48Å; E257-R274 IonicContact OE1-NH2 3.73Å; E257-M275 HydrophobicContact CB-CE 4.4Å; E257-M275 HydrophobicContact CG-CE 4.04Å; E257-M275 HydrophobicContact CG-SD 4.42Å; E257-M275 WeakPolarHBondContact OE2-CE 3.19Å; E257-V278 HydrophobicContact CB-CG2 4.34Å
258A90.4Very high85.6Confident51 Ų5156.3 Ų56.342%0.42130%0.298SS..Hα-helixtrans-60-37.5177.700000111.5K254 T262K254-A258 WeakPolarHBondContact O-CB 3.41Å; K254-A258 PolarHBondContact O-N 3.46Å; A258-T262 WeakPolarHBondContact O-CG2 3.41Å; A258-T262 PolarHBondContact O-N 2.77Å
259F90.4Very high85.2Confident17 Ų1755.8 Ų55.88%0.07530%0.295CS..Hα-helixtrans-66-45.9174.8-177.4-116000112.1M255 Y256 E257 E261 T262 L263 I304 V305 R336 L364M255-F259 WeakPolarHBondContact O-CB 3.47Å; M255-F259 PolarHBondContact O-N 3.39Å; Y256-F259 PolarHBondContact O-N 2.97Å; E257-F259 PolarHBondContact O-N 2.98Å; F259-E261 VanDerWaalsContact C-N 3.28Å; F259-E261 PolarHBondContact O-N 3.49Å; F259-T262 PolarHBondContact O-N 2.88Å; F259-T262 VanDerWaalsContact O-N 3.11Å; F259-T262 PolarHBondContact O-OG1 3.05Å; F259-L263 HydrophobicContact CE1-CD2 4.45Å; F259-L263 HydrophobicContact CZ-CD2 4.24Å; F259-I304 HydrophobicContact CE1-CG2 3.79Å; F259-I304 HydrophobicContact CZ-CG2 4.01Å; F259-V305 WeakPolarHBondContact CZ-O 3.48Å; F259-R336 HydrophobicContact CE2-CG 4.24Å; F259-L364 HydrophobicContact CD1-CD1 3.67Å; F259-L364 HydrophobicContact CE1-CD1 3.66Å
260I87.1Confident85Confident0 Ų059.3 Ų59.30%031%0.31CS..Hα-helixtrans-61.6-38.1177.9-69.9167000111.4Y256 E257 T262 L263 L266 R274 V277 V278 L281Y256-I260 WeakPolarHBondContact O-CB 3.2Å; Y256-I260 VanDerWaalsContact O-CG1 3.22Å; Y256-I260 WeakPolarHBondContact O-CG1 3.26Å; Y256-I260 PolarHBondContact O-N 2.84Å; E257-I260 PolarHBondContact O-N 2.85Å; E257-I260 VanDerWaalsContact O-N 3.16Å; I260-T262 PolarHBondContact O-N 2.94Å; I260-L263 WeakPolarHBondContact O-CB 3.47Å; I260-L263 PolarHBondContact O-N 3.3Å; I260-L266 HydrophobicContact CG2-CB 3.97Å; I260-L266 HydrophobicContact CG2-CD1 3.81Å; I260-R274 HydrophobicContact CG2-CB 4.37Å; I260-R274 HydrophobicContact CG2-CG 4.02Å; I260-V277 HydrophobicContact CD1-CB 4.25Å; I260-V277 HydrophobicContact CD1-CG1 3.82Å; I260-V278 HydrophobicContact CD1-CB 4.47Å; I260-V278 HydrophobicContact CD1-CG2 3.39Å; I260-L281 HydrophobicContact CD1-CD1 3.61Å; I260-L281 HydrophobicContact CG1-CD1 4.16Å
261E88Confident84.9Confident113 Ų11362.5 Ų62.553%0.52833%0.328SS..Hα-helixtrans-58.2-34.7176.4-176.3175.2-152.800112.2E257 F259 L263E257-E261 PolarHBondContact O-N 3.48Å; F259-E261 VanDerWaalsContact C-N 3.28Å; F259-E261 PolarHBondContact O-N 3.49Å; E261-L263 VanDerWaalsContact C-N 3.25Å; E261-L263 PolarHBondContact O-N 3.39Å
262T85.8Confident85Confident95 Ų9560.4 Ų60.458%0.58333%0.327SS*.THydrogen-bonded Turntrans-73.5-13.6176.968.10000114.1A258 F259 I260 P264A258-T262 WeakPolarHBondContact O-CG2 3.41Å; A258-T262 PolarHBondContact O-N 2.77Å; F259-T262 PolarHBondContact O-N 2.88Å; F259-T262 VanDerWaalsContact O-N 3.11Å; F259-T262 PolarHBondContact O-OG1 3.05Å; I260-T262 PolarHBondContact O-N 2.94Å; T262-P264 WeakPolarHBondContact O-CD 3.31Å
263L82Confident84.8Confident6 Ų660 Ų603%0.03133%0.326CS..  trans-80.5118.1-175.6-60.8176.8000110.6F259 I260 E261 L265 L266 T267 I304 G337F259-L263 HydrophobicContact CE1-CD2 4.45Å; F259-L263 HydrophobicContact CZ-CD2 4.24Å; I260-L263 WeakPolarHBondContact O-CB 3.47Å; I260-L263 PolarHBondContact O-N 3.3Å; E261-L263 VanDerWaalsContact C-N 3.25Å; E261-L263 PolarHBondContact O-N 3.39Å; L263-L265 PolarHBondContact O-N 3.26Å; L263-L265 VanDerWaalsContact O-N 3.08Å; L263-L266 HydrophobicContact CB-CB 4.43Å; L263-L266 HydrophobicContact CD1-CD1 4.05Å; L263-L266 PolarHBondContact O-N 3.09Å; L263-T267 PolarHBondContact O-N 2.88Å; L263-T267 PolarHBondContact O-OG1 3Å; L263-I304 HydrophobicContact CD1-CD1 3.78Å; L263-I304 HydrophobicContact CD1-CG2 3.99Å; L263-I304 HydrophobicContact CD2-CG2 3.94Å; L263-G337 WeakPolarHBondContact CD2-O 3.15Å
264P75.3Confident84.7Confident101 Ų10155.4 Ų55.466%0.65631%0.309SS*.THydrogen-bonded Turntrans-58.5-28.1-179.3-25.935.5000113.9T262 L266 T267T262-P264 WeakPolarHBondContact O-CD 3.31Å; P264-L266 VanDerWaalsContact C-N 3.29Å; P264-L266 PolarHBondContact O-N 2.86Å; P264-T267 WeakPolarHBondContact CA-OG1 3.38Å; P264-T267 PolarHBondContact O-OG1 3.05Å
265L72.3Confident84.7Confident9 Ų954.2 Ų54.25%0.04731%0.305CS..THydrogen-bonded Turntrans-66.8-30.9177.8-179.166.2000112.3L263 F302 Y339 I381 M382L263-L265 PolarHBondContact O-N 3.26Å; L263-L265 VanDerWaalsContact O-N 3.08Å; L265-F302 HydrophobicContact CD2-CE2 4.37Å; L265-Y339 HydrophobicContact CB-CD1 4.5Å; L265-Y339 HydrophobicContact CB-CE1 4.06Å; L265-Y339 HydrophobicContact CD2-CD1 4.3Å; L265-Y339 HydrophobicContact CD2-CD2 4.42Å; L265-Y339 HydrophobicContact CD2-CE1 4.19Å; L265-Y339 HydrophobicContact CD2-CE2 4.29Å; L265-Y339 HydrophobicContact CD2-CG 4.42Å; L265-I381 HydrophobicContact CD1-CG2 4Å; L265-I381 HydrophobicContact CG-CG2 4.39Å; L265-I381 WeakPolarHBondContact O-CG2 3.46Å; L265-M382 HydrophobicContact CD1-CG 4.36Å
266L75.9Confident84.6Confident1 Ų154.3 Ų54.31%0.00530%0.303CS..THydrogen-bonded Turntrans-115.26.5-169.1-58.5-179.5000112.8I260 L263 P264 S268 L269 M366 F371I260-L266 HydrophobicContact CG2-CB 3.97Å; I260-L266 HydrophobicContact CG2-CD1 3.81Å; L263-L266 HydrophobicContact CB-CB 4.43Å; L263-L266 HydrophobicContact CD1-CD1 4.05Å; L263-L266 PolarHBondContact O-N 3.09Å; P264-L266 VanDerWaalsContact C-N 3.29Å; P264-L266 PolarHBondContact O-N 2.86Å; L266-S268 PolarHBondContact O-N 2.83Å; L266-L269 HydrophobicContact CB-CD1 4.06Å; L266-L269 HydrophobicContact CB-CG 4.44Å; L266-L269 HydrophobicContact CD2-CD1 3.91Å; L266-L269 HydrophobicContact CG-CD1 4.43Å; L266-L269 WeakPolarHBondContact O-CB 3.37Å; L266-L269 PolarHBondContact O-N 2.66Å; L266-L269 VanDerWaalsContact O-N 3.08Å; L266-M366 HydrophobicContact CD1-CE 4.34Å; L266-F371 HydrophobicContact CD2-CE2 4.26Å; L266-F371 HydrophobicContact CD2-CZ 4.38Å
267T75.4Confident84.4Confident92 Ų9254 Ų5456%0.56430%0.302SS*.THydrogen-bonded Turntrans-62.3-25-179.8-45.30000113.2L263 P264 L269L263-T267 PolarHBondContact O-N 2.88Å; L263-T267 PolarHBondContact O-OG1 3Å; P264-T267 WeakPolarHBondContact CA-OG1 3.38Å; P264-T267 PolarHBondContact O-OG1 3.05Å; T267-L269 VanDerWaalsContact C-N 3.26Å; T267-L269 PolarHBondContact O-N 2.86Å
268S77.3Confident84.4Confident74 Ų7452.7 Ų52.752%0.51730%0.297SS..THydrogen-bonded Turntrans-78.4-7177.762.40000114.2L266L266-S268 PolarHBondContact O-N 2.83Å
269L80.8Confident84.2Confident9 Ų954.8 Ų54.85%0.04730%0.301CS..SBendtrans-78136.1-179.4-64.5-175.1000111.4L266 T267 E273 R274 V277 L375 I381L266-L269 HydrophobicContact CB-CD1 4.06Å; L266-L269 HydrophobicContact CB-CG 4.44Å; L266-L269 HydrophobicContact CD2-CD1 3.91Å; L266-L269 HydrophobicContact CG-CD1 4.43Å; L266-L269 WeakPolarHBondContact O-CB 3.37Å; L266-L269 PolarHBondContact O-N 2.66Å; L266-L269 VanDerWaalsContact O-N 3.08Å; T267-L269 VanDerWaalsContact C-N 3.26Å; T267-L269 PolarHBondContact O-N 2.86Å; L269-E273 WeakPolarHBondContact CA-OE2 3.39Å; L269-E273 HydrophobicContact CB-CB 4.06Å; L269-E273 HydrophobicContact CD2-CB 4.24Å; L269-R274 HydrophobicContact CB-CG 3.74Å; L269-R274 HydrophobicContact CD1-CG 4.45Å; L269-R274 PolarHBondContact O-NH1 3.37Å; L269-V277 HydrophobicContact CD1-CG2 4.13Å; L269-L375 HydrophobicContact CD1-CD1 3.75Å; L269-L375 HydrophobicContact CD2-CD1 3.96Å; L269-I381 HydrophobicContact CD2-CD1 4.1Å
270E85.3Confident84.1Confident133 Ų13356.4 Ų56.462%0.62131%0.312SS*.  trans-67.2162.6170.7-65.2-171.4174.800111.6S272 E273 R274E270-S272 VanDerWaalsContact C-N 3.27Å; E270-S272 PolarHBondContact O-N 2.73Å; E270-E273 HydrophobicContact CB-CG 4.31Å; E270-E273 PolarHBondContact N-OE2 3.22Å; E270-E273 WeakPolarHBondContact O-CB 3.4Å; E270-E273 PolarHBondContact O-N 3.41Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 2.92Å
271V88.3Confident84.1Confident81 Ų8157.3 Ų57.349%0.49132%0.317SS..Hα-helixtrans-53-45.9179.2-178.90000111.3E273 R274 M275V271-E273 VanDerWaalsContact C-N 3.29Å; V271-E273 PolarHBondContact O-N 3.07Å; V271-R274 PolarHBondContact O-N 3.38Å; V271-M275 WeakPolarHBondContact O-CG 3.23Å; V271-M275 PolarHBondContact O-N 2.86Å
272S88.4Confident84.2Confident66 Ų6655.2 Ų55.246%0.46232%0.315SS..Hα-helixtrans-64.9-33.4-179.172.90000112.8E270 K276E270-S272 VanDerWaalsContact C-N 3.27Å; E270-S272 PolarHBondContact O-N 2.73Å; S272-K276 WeakPolarHBondContact O-CG 3.49Å; S272-K276 PolarHBondContact O-N 2.96Å
273E86.1Confident84.5Confident57 Ų5753 Ų5327%0.26630%0.302SS..Hα-helixtrans-73.4-42.6177.4-66.5-179.6139.300111.3L269 E270 V271 M275 K276 V277 L375L269-E273 WeakPolarHBondContact CA-OE2 3.39Å; L269-E273 HydrophobicContact CB-CB 4.06Å; L269-E273 HydrophobicContact CD2-CB 4.24Å; E270-E273 HydrophobicContact CB-CG 4.31Å; E270-E273 PolarHBondContact N-OE2 3.22Å; E270-E273 WeakPolarHBondContact O-CB 3.4Å; E270-E273 PolarHBondContact O-N 3.41Å; V271-E273 VanDerWaalsContact C-N 3.29Å; V271-E273 PolarHBondContact O-N 3.07Å; E273-M275 VanDerWaalsContact C-N 3.31Å; E273-M275 PolarHBondContact O-N 3.48Å; E273-K276 WeakPolarHBondContact O-CB 3.46Å; E273-K276 PolarHBondContact O-N 2.89Å; E273-V277 WeakPolarHBondContact O-CG2 3.21Å; E273-V277 PolarHBondContact O-N 2.69Å; E273-V277 VanDerWaalsContact O-N 3.09Å; E273-L375 HydrophobicContact CB-CD2 3.49Å; E273-L375 VanDerWaalsContact CB-CD2 3.49Å; E273-L375 HydrophobicContact CG-CD2 3.66Å
274R87.6Confident85Confident27 Ų2758.7 Ų58.710%0.10232%0.322CS..Hα-helixtrans-60.1-42.1173.8-66.9-167.7-55.4-102.913.6111.5E257 I260 L269 E270 V271 K276 V277 V278E257-R274 IonicContact OE1-NH2 3.73Å; I260-R274 HydrophobicContact CG2-CB 4.37Å; I260-R274 HydrophobicContact CG2-CG 4.02Å; L269-R274 HydrophobicContact CB-CG 3.74Å; L269-R274 HydrophobicContact CD1-CG 4.45Å; L269-R274 PolarHBondContact O-NH1 3.37Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 2.92Å; V271-R274 PolarHBondContact O-N 3.38Å; R274-K276 VanDerWaalsContact C-N 3.35Å; R274-K276 PolarHBondContact O-N 3.12Å; R274-V277 WeakPolarHBondContact O-CA 3.48Å; R274-V277 WeakPolarHBondContact O-CB 3.49Å; R274-V277 PolarHBondContact O-N 3.4Å; R274-V277 VanDerWaalsContact O-N 3.1Å; R274-V278 WeakPolarHBondContact O-CG2 3.42Å; R274-V278 PolarHBondContact O-N 3.44Å
275M89.9Confident85.9Confident67 Ų6758 Ų5833%0.3332%0.317SS..Hα-helixtrans-61.4-41.8176.9-70.9-62-17400112.5E257 V271 E273 V277 V278 D279E257-M275 HydrophobicContact CB-CE 4.4Å; E257-M275 HydrophobicContact CG-CE 4.04Å; E257-M275 HydrophobicContact CG-SD 4.42Å; E257-M275 WeakPolarHBondContact OE2-CE 3.19Å; V271-M275 WeakPolarHBondContact O-CG 3.23Å; V271-M275 PolarHBondContact O-N 2.86Å; E273-M275 VanDerWaalsContact C-N 3.31Å; E273-M275 PolarHBondContact O-N 3.48Å; M275-V277 VanDerWaalsContact C-N 3.26Å; M275-V277 PolarHBondContact O-N 3.47Å; M275-V278 PolarHBondContact O-N 2.78Å; M275-D279 PolarHBondContact O-N 3.06Å
276K88.4Confident87.1Confident94 Ų9458.3 Ų58.341%0.40932%0.317SS..Hα-helixtrans-59.9-38.4173.5-70.7171.9-177175.10112.1S272 E273 R274 D279 L374 L375S272-K276 WeakPolarHBondContact O-CG 3.49Å; S272-K276 PolarHBondContact O-N 2.96Å; E273-K276 WeakPolarHBondContact O-CB 3.46Å; E273-K276 PolarHBondContact O-N 2.89Å; R274-K276 VanDerWaalsContact C-N 3.35Å; R274-K276 PolarHBondContact O-N 3.12Å; K276-D279 PolarHBondContact O-N 3.34Å; K276-L374 HydrophobicContact CB-CD1 4.37Å; K276-L374 HydrophobicContact CB-CD2 4.4Å; K276-L375 HydrophobicContact CD-CD2 4.5Å
277V86.8Confident88.1Confident2 Ų263.5 Ų63.51%0.01235%0.345CS..Hα-helixtrans-64.2-49.8174.9174.60000110.1I260 L269 E273 R274 M275 D279 V280 L281 M366 F371 L375I260-V277 HydrophobicContact CD1-CB 4.25Å; I260-V277 HydrophobicContact CD1-CG1 3.82Å; L269-V277 HydrophobicContact CD1-CG2 4.13Å; E273-V277 WeakPolarHBondContact O-CG2 3.21Å; E273-V277 PolarHBondContact O-N 2.69Å; E273-V277 VanDerWaalsContact O-N 3.09Å; R274-V277 WeakPolarHBondContact O-CA 3.48Å; R274-V277 WeakPolarHBondContact O-CB 3.49Å; R274-V277 PolarHBondContact O-N 3.4Å; R274-V277 VanDerWaalsContact O-N 3.1Å; M275-V277 VanDerWaalsContact C-N 3.26Å; M275-V277 PolarHBondContact O-N 3.47Å; V277-D279 PolarHBondContact O-N 3.13Å; V277-V280 VanDerWaalsContact O-CG2 3.29Å; V277-V280 WeakPolarHBondContact O-CG2 3.49Å; V277-V280 PolarHBondContact O-N 2.95Å; V277-L281 HydrophobicContact CG1-CD1 4Å; V277-L281 HydrophobicContact CG1-CD2 4.29Å; V277-L281 HydrophobicContact CG1-CG 3.96Å; V277-L281 WeakPolarHBondContact O-CG 3.34Å; V277-L281 PolarHBondContact O-N 2.71Å; V277-M366 HydrophobicContact CG1-CE 4.18Å; V277-M366 HydrophobicContact CG1-SD 3.59Å; V277-M366 VanDerWaalsContact CG1-SD 3.59Å; V277-F371 HydrophobicContact CG2-CD2 4.47Å; V277-F371 HydrophobicContact CG2-CE2 4.13Å; V277-L375 HydrophobicContact CG2-CD1 3.36Å; V277-L375 HydrophobicContact CG2-CG 4.38Å
278V90.3Very high89.1Confident12 Ų1264 Ų647%0.07334%0.344CS..Hα-helixtrans-52.5-41.3177.7175.40000111.7R253 E257 I260 R274 M275 V280 L281R253-V278 HydrophobicContact CB-CG1 4.27Å; R253-V278 HydrophobicContact CG-CG1 3.93Å; E257-V278 HydrophobicContact CB-CG2 4.34Å; I260-V278 HydrophobicContact CD1-CB 4.47Å; I260-V278 HydrophobicContact CD1-CG2 3.39Å; R274-V278 WeakPolarHBondContact O-CG2 3.42Å; R274-V278 PolarHBondContact O-N 3.44Å; M275-V278 PolarHBondContact O-N 2.78Å; V278-V280 VanDerWaalsContact C-N 3.27Å; V278-V280 PolarHBondContact O-N 3.41Å; V278-L281 PolarHBondContact O-N 2.9Å
279D87.5Confident89.9Confident94 Ų9464.2 Ų64.250%0.50335%0.345SS..Hα-helixtrans-68.4-20.6-178.3-76.7-30.6000114.3R253 M275 K276 V277R253-D279 IonicContact CZ-OD1 2.73Å; R253-D279 IonicContact NE-OD1 3.69Å; R253-D279 PolarHBondContact NE-OD1 3.44Å; R253-D279 IonicContact NH2-OD1 3.89Å; R253-D279 PolarHBondContact NH2-OD1 3.31Å; M275-D279 PolarHBondContact O-N 3.06Å; K276-D279 PolarHBondContact O-N 3.34Å; V277-D279 PolarHBondContact O-N 3.13Å
280V87.4Confident90.7Very high51 Ų5167.6 Ų67.631%0.30936%0.361SS..Hα-helixtrans-106.6-8.2177.3-63.50000114.3V277 V278 S282 L374V277-V280 VanDerWaalsContact O-CG2 3.29Å; V277-V280 WeakPolarHBondContact O-CG2 3.49Å; V277-V280 PolarHBondContact O-N 2.95Å; V278-V280 VanDerWaalsContact C-N 3.27Å; V278-V280 PolarHBondContact O-N 3.41Å; V280-S282 PolarHBondContact O-N 3.4Å; V280-L374 HydrophobicContact CB-CD1 4.21Å; V280-L374 HydrophobicContact CG1-CD1 3.51Å; V280-L374 HydrophobicContact CG2-CD1 3.65Å
281L88.1Confident91.2Very high20 Ų2065.5 Ų65.511%0.10535%0.351CS..  trans-65.7126.5178.3-78.2175.1000110.6I260 V277 V278 L364 M366I260-L281 HydrophobicContact CD1-CD1 3.61Å; I260-L281 HydrophobicContact CG1-CD1 4.16Å; V277-L281 HydrophobicContact CG1-CD1 4Å; V277-L281 HydrophobicContact CG1-CD2 4.29Å; V277-L281 HydrophobicContact CG1-CG 3.96Å; V277-L281 WeakPolarHBondContact O-CG 3.34Å; V277-L281 PolarHBondContact O-N 2.71Å; V278-L281 PolarHBondContact O-N 2.9Å; L281-L364 HydrophobicContact CD1-CD1 4.18Å; L281-L364 HydrophobicContact CD2-CB 4.23Å; L281-M366 HydrophobicContact CD2-CB 4.11Å; L281-M366 HydrophobicContact CD2-CG 4.45Å; L281-M366 HydrophobicContact CD2-SD 3.72Å
282S89.9Confident91.6Very high68 Ų6862.4 Ų62.448%0.47633%0.332SS..EExtended strand (participates in β ladder)trans-104.2140.2174.3-64.20000110.1V280 L364 V365V280-S282 PolarHBondContact O-N 3.4Å; S282-L364 CarbonylContact O-C 3.57Å; S282-L364 WeakPolarHBondContact O-CA 3.3Å; S282-V365 PolarHBondContact N-O 3.4Å; S282-V365 VanDerWaalsContact N-O 3.14Å; S282-V365 PolarHBondContact O-N 3.33Å
283T91.1Very high91.9Very high50 Ų5059.8 Ų59.831%0.30731%0.313SS..EExtended strand (participates in β ladder)trans-95.7135176.1-54.20000110.2Y256 K362Y256-T283 PolarHBondContact OH-OG1 2.95Å; Y256-T283 VanDerWaalsContact OH-OG1 3.07Å; T283-K362 HydrophobicContact CG2-CD 4.05Å; T283-K362 HydrophobicContact CG2-CG 3.72Å
284R93.6Very high92.2Very high124 Ų12458.1 Ų58.147%0.46831%0.309SS..EExtended strand (participates in β ladder)trans-126.8138.5167.7-66.7-170-172.7174.11110.6Y286 K362 C363 V365R284-Y286 HydrophobicContact CB-CE2 3.68Å; R284-Y286 VanDerWaalsContact CD-OH 3.27Å; R284-Y286 WeakPolarHBondContact CD-OH 3.38Å; R284-K362 WeakPolarHBondContact O-CA 3.09Å; R284-C363 PolarHBondContact N-O 2.62Å; R284-C363 PolarHBondContact O-N 3.49Å; R284-V365 HydrophobicContact CB-CG2 4.04Å; R284-V365 HydrophobicContact CG-CG2 3.65Å
285V94.4Very high92.3Very high88 Ų8859.5 Ų59.553%0.53332%0.317SS..EExtended strand (participates in β ladder)trans-110.9135.1176.8-178.20000108V361 K362V285-V361 CarbonylContact C-O 3.57Å; V285-V361 WeakPolarHBondContact CA-O 3.41Å; V285-K362 HydrophobicContact CG2-CG 4.15Å
286Y96.6Very high92.2Very high15 Ų1558.7 Ų58.76%0.05933%0.326CS..EExtended strand (participates in β ladder)trans-123.4139.3-179.9-58.6-85.3000109.6R284 Q290 V292 V361 C363R284-Y286 HydrophobicContact CB-CE2 3.68Å; R284-Y286 VanDerWaalsContact CD-OH 3.27Å; R284-Y286 WeakPolarHBondContact CD-OH 3.38Å; Y286-Q290 HydrophobicContact CD1-CG 4.17Å; Y286-V292 HydrophobicContact CD1-CG2 3.9Å; Y286-V292 HydrophobicContact CD2-CG2 3.93Å; Y286-V292 HydrophobicContact CE1-CB 4.34Å; Y286-V292 HydrophobicContact CE1-CG1 4.17Å; Y286-V292 HydrophobicContact CE1-CG2 4.09Å; Y286-V292 HydrophobicContact CE2-CG1 3.86Å; Y286-V292 HydrophobicContact CE2-CG2 4.1Å; Y286-V292 HydrophobicContact CG-CG2 3.82Å; Y286-V361 PolarHBondContact N-O 3.48Å; Y286-V361 PolarHBondContact O-N 2.95Å; Y286-C363 HydrophobicContact CE2-CB 4.14Å
287N97.1Very high92.3Very high109 Ų10958.4 Ų58.458%0.58333%0.329SS*.  trans-81.3167.4173.4-65.7-37.6000110.7S289 Q290 A357 G359N287-S289 PolarHBondContact O-N 3.47Å; N287-Q290 WeakPolarHBondContact O-CB 3.41Å; N287-Q290 PolarHBondContact O-N 3.27Å; N287-Q290 VanDerWaalsContact O-N 3.09Å; N287-A357 VanDerWaalsContact O-CB 3.28Å; N287-A357 WeakPolarHBondContact O-CB 3.42Å; N287-G359 CarbonylContact C-O 3.54Å
288D97.1Very high92.3Very high102 Ų10265.5 Ų65.555%0.54537%0.366SS..THydrogen-bonded Turntrans-55.7138.4179-17747.6000111.9Q290 G359D288-Q290 PolarHBondContact O-N 3.21Å; D288-G359 VanDerWaalsContact CA-O 3.28Å; D288-G359 WeakPolarHBondContact CA-O 3.49Å; D288-G359 PolarHBondContact N-O 3.11Å; D288-G359 WeakPolarHBondContact OD1-CA 3.01Å; D288-G359 PolarHBondContact OD1-N 3.37Å
289S94.5Very high92Very high79 Ų7966.2 Ų66.255%0.55237%0.373SS*.THydrogen-bonded Turntrans60.67.1-177.3-56.40000115.5N287 A357N287-S289 PolarHBondContact O-N 3.47Å; S289-A357 VanDerWaalsContact CA-O 3.3Å; S289-A357 WeakPolarHBondContact CA-O 3.35Å; S289-A357 PolarHBondContact N-O 3.28Å
290Q96.8Very high91.9Very high80 Ų8066 Ų6637%0.37437%0.372SS..  trans-71.3134.8176.9-172177.5-5.600110.9Y286 N287 D288 V292 Y356 A357Y286-Q290 HydrophobicContact CD1-CG 4.17Å; N287-Q290 WeakPolarHBondContact O-CB 3.41Å; N287-Q290 PolarHBondContact O-N 3.27Å; N287-Q290 VanDerWaalsContact O-N 3.09Å; D288-Q290 PolarHBondContact O-N 3.21Å; Q290-V292 PolarHBondContact O-N 2.7Å; Q290-Y356 WeakPolarHBondContact O-CA 3.43Å; Q290-A357 PolarHBondContact O-N 2.82Å
291Q95.9Very high92Very high90 Ų9064 Ų6442%0.42136%0.36SS..EExtended strand (participates in β ladder)trans-73.4126.4175.9-167.7174.435.700110.9I293 Y356Q291-I293 WeakPolarHBondContact CG-O 3.45Å; Q291-Y356 HydrophobicContact CB-CD1 3.85Å; Q291-Y356 HydrophobicContact CB-CE1 3.76Å; Q291-Y356 HydrophobicContact CG-CD1 4.03Å; Q291-Y356 HydrophobicContact CG-CE1 3.69Å
292V95.4Very high92Very high15 Ų1563 Ų639%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-96.3-42.1177.4-1760000111Y286 Q290 Y303 F340 A355 A357Y286-V292 HydrophobicContact CD1-CG2 3.9Å; Y286-V292 HydrophobicContact CD2-CG2 3.93Å; Y286-V292 HydrophobicContact CE1-CB 4.34Å; Y286-V292 HydrophobicContact CE1-CG1 4.17Å; Y286-V292 HydrophobicContact CE1-CG2 4.09Å; Y286-V292 HydrophobicContact CE2-CG1 3.86Å; Y286-V292 HydrophobicContact CE2-CG2 4.1Å; Y286-V292 HydrophobicContact CG-CG2 3.82Å; Q290-V292 PolarHBondContact O-N 2.7Å; V292-Y303 HydrophobicContact CG1-CD1 4.04Å; V292-Y303 HydrophobicContact CG1-CE1 3.97Å; V292-Y303 HydrophobicContact CG1-CG 4.4Å; V292-F340 HydrophobicContact CG1-CE2 3.95Å; V292-F340 HydrophobicContact CG1-CZ 3.91Å; V292-A355 HydrophobicContact CB-CB 4.34Å; V292-A355 PolarHBondContact N-O 3.33Å; V292-A357 HydrophobicContact CG2-CB 4.49Å
293I94.8Very high92.2Very high11 Ų1160.4 Ų60.46%0.05633%0.334CS..EExtended strand (participates in β ladder)trans-132136.3176.7-63.7-179.7000107.8Q291 Y303 F340 R351 S354 A355Q291-I293 WeakPolarHBondContact CG-O 3.45Å; I293-Y303 HydrophobicContact CD1-CD2 3.76Å; I293-Y303 HydrophobicContact CD1-CE2 3.77Å; I293-Y303 HydrophobicContact CG1-CD2 4.14Å; I293-Y303 HydrophobicContact CG1-CE2 3.75Å; I293-F340 HydrophobicContact CD1-CD2 3.65Å; I293-F340 HydrophobicContact CD1-CE2 3.69Å; I293-F340 HydrophobicContact CG1-CE2 4.15Å; I293-R351 HydrophobicContact CG2-CB 3.96Å; I293-R351 HydrophobicContact CG2-CG 3.6Å; I293-S354 CarbonylContact O-C 3.54Å; I293-S354 VanDerWaalsContact O-CA 3.23Å; I293-S354 WeakPolarHBondContact O-CA 3.18Å; I293-A355 HydrophobicContact CB-CB 3.94Å; I293-A355 HydrophobicContact CD1-CB 4.45Å; I293-A355 HydrophobicContact CG1-CB 4.26Å; I293-A355 PolarHBondContact N-O 2.85Å; I293-A355 PolarHBondContact O-N 2.9Å
294A93.1Very high92.2Very high23 Ų2358.1 Ų58.119%0.1932%0.32CS..  trans-99135166.900000110.9D297 R351A294-D297 WeakPolarHBondContact O-CB 3.42Å; A294-D297 PolarHBondContact O-N 2.83Å; A294-R351 VanDerWaalsContact O-CB 3.29Å; A294-R351 WeakPolarHBondContact O-CB 3.39Å
295Q89.9Confident92.3Very high55 Ų5552.2 Ų52.226%0.25730%0.298SS..THydrogen-bonded Turntrans-58.9136.6170.2-178.5175.3-12.200110.2K315 R351 A352 S354Q295-K315 PolarHBondContact NE2-O 3.49Å; Q295-R351 WeakPolarHBondContact CA-O 3.32Å; Q295-A352 WeakPolarHBondContact CG-O 3.36Å; Q295-A352 PolarHBondContact NE2-O 2.87Å; Q295-S354 WeakPolarHBondContact CB-OG 3.41Å; Q295-S354 PolarHBondContact N-OG 3.41Å
296G87.9Confident92.2Very high50 Ų5048.9 Ų48.952%0.51528%0.277SS..THydrogen-bonded Turntrans90-12.7-178.200000115.1P350 R351G296-P350 WeakPolarHBondContact O-CB 3.4Å; G296-R351 PolarHBondContact N-O 3.07Å
297D89.3Confident92.1Very high89 Ų8950.3 Ų50.348%0.47629%0.289SS..PPolyproline II helixtrans-68.1156.9176.1-80.7-8000111.9A294 P350 R351A294-D297 WeakPolarHBondContact O-CB 3.42Å; A294-D297 PolarHBondContact O-N 2.83Å; D297-P350 CarbonylContact O-C 3.59Å; D297-P350 WeakPolarHBondContact O-CA 3.42Å; D297-R351 HydrophobicContact CB-CG 4.09Å; D297-R351 VanDerWaalsContact O-CG 3.29Å; D297-R351 WeakPolarHBondContact O-CG 3.45Å; D297-R351 PolarHBondContact O-N 3.44Å
298L87.2Confident92Very high150 Ų15046.7 Ų46.779%0.78528%0.278SS*.PPolyproline II helixtrans-72.6145.1168.3-64.3175.5000110
299A84.5Confident92Very high27 Ų2746.3 Ų46.322%0.22327%0.272CS..PPolyproline II helixtrans-103.8123.9178.800000111.3A344 L345A299-A344 HydrophobicContact CB-CB 3.26Å; A299-L345 HydrophobicContact CB-CD2 3.8Å; A299-L345 HydrophobicContact CB-CG 4.24Å; A299-L345 WeakPolarHBondContact O-CD2 3.42Å
300D85.1Confident92.1Very high91 Ų9142.5 Ų42.549%0.48725%0.246SC..SBendtrans-122.5-16.5174.559.3-8.1000113V368D300-V368 PolarHBondContact O-N 3.03Å
301C89.9Confident92.1Very high7 Ų743.2 Ų43.25%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-137.7168.2-178.3590000112.4Y303 R351 V365 M366C301-Y303 PolarHBondContact SG-OH 2.9Å; C301-R351 PolarHBondContact O-NH1 2.89Å; C301-R351 PolarHBondContact O-NH2 2.93Å; C301-V365 HydrophobicContact CB-CG1 3.89Å; C301-M366 CarbonylContact C-O 3.52Å; C301-M366 WeakPolarHBondContact CA-O 3.15Å; C301-M366 WeakPolarHBondContact CB-O 3.47Å
302F88.8Confident91.9Very high0 Ų040.2 Ų40.20%023%0.232CC..EExtended strand (participates in β ladder)trans-131.2168.4165.369.5-84.7000110.8L265 I304 L345 M366 V368 M382L265-F302 HydrophobicContact CD2-CE2 4.37Å; F302-I304 HydrophobicContact CD2-CG1 4.35Å; F302-I304 HydrophobicContact CE2-CD1 4.18Å; F302-I304 HydrophobicContact CE2-CG1 4.1Å; F302-L345 HydrophobicContact CB-CD1 3.82Å; F302-L345 HydrophobicContact CD1-CD1 3.95Å; F302-L345 HydrophobicContact CG-CD1 4.34Å; F302-M366 HydrophobicContact CD1-CB 4.04Å; F302-M366 HydrophobicContact CD1-CG 4.44Å; F302-M366 HydrophobicContact CE1-CB 3.76Å; F302-M366 HydrophobicContact CE1-CE 3.64Å; F302-M366 HydrophobicContact CE1-CG 3.77Å; F302-M366 HydrophobicContact CE2-CB 4.41Å; F302-M366 HydrophobicContact CE2-CE 3.75Å; F302-M366 HydrophobicContact CZ-CB 4.04Å; F302-M366 HydrophobicContact CZ-CE 3.03Å; F302-M366 HydrophobicContact CZ-CG 4.13Å; F302-M366 HydrophobicContact CZ-SD 4.41Å; F302-M366 PolarHBondContact N-O 3.02Å; F302-M366 PolarHBondContact O-N 3.26Å; F302-V368 HydrophobicContact CD1-CG2 4.38Å; F302-M382 HydrophobicContact CD1-CE 3.62Å; F302-M382 HydrophobicContact CE1-CE 3.32Å; F302-M382 HydrophobicContact CG-CE 4.4Å; F302-M382 HydrophobicContact CZ-CE 3.88Å
303Y92.7Very high91.7Very high13 Ų1339.6 Ų39.65%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-123.9143.5-168.7-61.3-94.5000110.9V292 I293 C301 Y339 F340 C363 L364 V365V292-Y303 HydrophobicContact CG1-CD1 4.04Å; V292-Y303 HydrophobicContact CG1-CE1 3.97Å; V292-Y303 HydrophobicContact CG1-CG 4.4Å; I293-Y303 HydrophobicContact CD1-CD2 3.76Å; I293-Y303 HydrophobicContact CD1-CE2 3.77Å; I293-Y303 HydrophobicContact CG1-CD2 4.14Å; I293-Y303 HydrophobicContact CG1-CE2 3.75Å; C301-Y303 PolarHBondContact SG-OH 2.9Å; Y303-Y339 CarbonylContact O-C 3.53Å; Y303-Y339 WeakPolarHBondContact O-CA 3.26Å; Y303-Y339 VanDerWaalsContact O-CB 3.27Å; Y303-Y339 WeakPolarHBondContact O-CB 3.3Å; Y303-F340 VanDerWaalsContact CB-CE1 3.5Å; Y303-F340 HydrophobicContact CD1-CZ 4.44Å; Y303-F340 HydrophobicContact CD2-CD2 4.37Å; Y303-F340 AromaticContact CD2-CE2 3.88Å; Y303-F340 HydrophobicContact CD2-CE2 3.88Å; Y303-F340 HydrophobicContact CD2-CZ 4.31Å; Y303-F340 HydrophobicContact CG-CE1 4.46Å; Y303-F340 AromaticContact CG-CE2 3.85Å; Y303-F340 HydrophobicContact CG-CE2 3.85Å; Y303-F340 AromaticContact CG-CZ 3.8Å; Y303-F340 HydrophobicContact CG-CZ 3.8Å; Y303-F340 PolarHBondContact N-O 2.91Å; Y303-F340 PolarHBondContact O-N 3.07Å; Y303-C363 HydrophobicContact CD1-CB 4.2Å; Y303-L364 CarbonylContact C-O 3.6Å; Y303-L364 VanDerWaalsContact CA-O 3.3Å; Y303-L364 WeakPolarHBondContact CA-O 3.3Å; Y303-V365 HydrophobicContact CD1-CB 4.44Å; Y303-V365 HydrophobicContact CD1-CG1 4.39Å; Y303-V365 HydrophobicContact CD1-CG2 3.69Å; Y303-V365 HydrophobicContact CE1-CB 4.32Å; Y303-V365 HydrophobicContact CE1-CG1 3.95Å; Y303-V365 HydrophobicContact CE1-CG2 3.55Å
304I92.1Very high91.3Very high3 Ų340.7 Ų40.72%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-124.2127.3173.3-52165.9000107.4F259 L263 F302 E306 C363 L364F259-I304 HydrophobicContact CE1-CG2 3.79Å; F259-I304 HydrophobicContact CZ-CG2 4.01Å; L263-I304 HydrophobicContact CD1-CD1 3.78Å; L263-I304 HydrophobicContact CD1-CG2 3.99Å; L263-I304 HydrophobicContact CD2-CG2 3.94Å; F302-I304 HydrophobicContact CD2-CG1 4.35Å; F302-I304 HydrophobicContact CE2-CD1 4.18Å; F302-I304 HydrophobicContact CE2-CG1 4.1Å; I304-E306 PolarHBondContact O-N 2.95Å; I304-C363 CarbonylContact O-C 3.58Å; I304-C363 VanDerWaalsContact O-CA 3.27Å; I304-C363 WeakPolarHBondContact O-CA 3.4Å; I304-L364 HydrophobicContact CB-CB 4.32Å; I304-L364 PolarHBondContact N-O 3.43Å; I304-L364 PolarHBondContact O-N 2.83Å
305V94.3Very high90.9Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-76.4114.7-179.1-177.20000109.6F259 V310 C334 T335 R336 G337 Q338 F340F259-V305 WeakPolarHBondContact CZ-O 3.48Å; V305-V310 HydrophobicContact CG2-CB 4.46Å; V305-V310 HydrophobicContact CG2-CG2 3.97Å; V305-C334 HydrophobicContact CG2-CB 3.97Å; V305-T335 WeakPolarHBondContact CB-O 3.03Å; V305-R336 WeakPolarHBondContact O-CA 3.35Å; V305-G337 PolarHBondContact O-N 3.46Å; V305-Q338 PolarHBondContact N-O 3.08Å; V305-F340 HydrophobicContact CG2-CD1 4.12Å; V305-F340 HydrophobicContact CG2-CE1 3.76Å
306E93Very high90.1Very high17 Ų1745.5 Ų45.58%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-84.4-42.4174.8-171.2-170.9148.400110.8Y256 I304 R336 K362 L364Y256-E306 HydrophobicContact CE1-CG 4.47Å; Y256-E306 WeakPolarHBondContact CE1-OE2 3.32Å; Y256-E306 PolarHBondContact OH-OE2 2.83Å; I304-E306 PolarHBondContact O-N 2.95Å; E306-R336 WeakPolarHBondContact O-CD 3.33Å; E306-R336 WeakPolarHBondContact O-CG 3.12Å; E306-R336 PolarHBondContact O-NH1 3.29Å; E306-K362 WeakPolarHBondContact CA-O 3.44Å; E306-K362 HydrophobicContact CB-CB 4.36Å; E306-K362 HydrophobicContact CB-CG 4.33Å; E306-K362 WeakPolarHBondContact CB-O 3.23Å; E306-K362 HydrophobicContact CG-CD 4.49Å; E306-K362 PolarHBondContact N-O 3.23Å; E306-K362 WeakPolarHBondContact OE1-CE 3.27Å; E306-K362 IonicContact OE1-NZ 3.29Å; E306-K362 PolarHBondContact OE1-NZ 3.39Å; E306-K362 WeakPolarHBondContact OE2-CD 3.3Å; E306-K362 WeakPolarHBondContact OE2-CE 3.34Å; E306-K362 IonicContact OE2-NZ 3.7Å; E306-K362 PolarHBondContact OE2-NZ 2.83Å; E306-L364 HydrophobicContact CB-CG 4.37Å; E306-L364 WeakPolarHBondContact OE2-CD2 3.43Å
307S94.3Very high88.6Confident46 Ų4646.7 Ų46.732%0.32225%0.246SC..EExtended strand (participates in β ladder)trans-153.6157.417565.10000111.4V361 K362S307-V361 WeakPolarHBondContact O-CA 3.31Å; S307-K362 PolarHBondContact N-O 3.47Å; S307-K362 PolarHBondContact O-N 3.41Å; S307-K362 VanDerWaalsContact OG-CB 3.29Å; S307-K362 WeakPolarHBondContact OG-CB 3.39Å
308G95.1Very high86.8Confident33 Ų3351.7 Ų51.734%0.3426%0.259SS..EExtended strand (participates in β ladder)trans85.6-164.9-175.900000113.1
309Q96.7Very high84.9Confident93 Ų9350.4 Ų50.444%0.43526%0.257SS..EExtended strand (participates in β ladder)trans-133.8141179.2-60.8-174.4-3.300110.4T333 C334 T335 V358 V361Q309-T333 HydrophobicContact CB-CG2 4.29Å; Q309-C334 CarbonylContact C-O 3.59Å; Q309-C334 WeakPolarHBondContact CA-O 3.43Å; Q309-T335 HydrophobicContact CG-CG2 4.16Å; Q309-V358 HydrophobicContact CB-CB 4.18Å; Q309-V358 WeakPolarHBondContact O-CB 3.38Å; Q309-V358 PolarHBondContact O-N 2.73Å; Q309-V361 WeakPolarHBondContact O-CG2 3.34Å
310V97.4Very high83.2Confident0 Ų058.8 Ų58.80%029%0.289CS..EExtended strand (participates in β ladder)trans-117.8126.3176.4177.70000108.7V305 T333 C334 F340 A355 Y356 V361V305-V310 HydrophobicContact CG2-CB 4.46Å; V305-V310 HydrophobicContact CG2-CG2 3.97Å; V310-T333 CarbonylContact O-C 3.49Å; V310-T333 WeakPolarHBondContact O-CA 3.49Å; V310-C334 HydrophobicContact CB-CB 4.36Å; V310-C334 PolarHBondContact N-O 2.58Å; V310-C334 PolarHBondContact O-N 3Å; V310-F340 HydrophobicContact CB-CE1 4.19Å; V310-F340 HydrophobicContact CB-CZ 4.39Å; V310-F340 HydrophobicContact CG1-CE1 4.1Å; V310-F340 HydrophobicContact CG1-CE2 4.19Å; V310-F340 HydrophobicContact CG1-CZ 3.89Å; V310-F340 HydrophobicContact CG2-CE1 3.95Å; V310-F340 HydrophobicContact CG2-CZ 4.08Å; V310-A355 HydrophobicContact CG1-CB 3.81Å; V310-Y356 CarbonylContact C-O 3.55Å; V310-Y356 WeakPolarHBondContact CA-O 3.47Å; V310-V361 HydrophobicContact CG2-CG1 3.64Å; V310-V361 HydrophobicContact CG2-CG2 4.5Å
311R95.9Very high81.3Confident94 Ų9463.8 Ų63.836%0.35531%0.306SS..EExtended strand (participates in β ladder)trans-96.9126.8175.4179.9174.758.4164.5-3.5109.7T313 D330 A355 Y356 V358R311-T313 HydrophobicContact CG-CG2 3.98Å; R311-D330 WeakPolarHBondContact CD-OD1 3.28Å; R311-D330 IonicContact NH1-OD1 2.58Å; R311-D330 IonicContact NH1-OD2 2.95Å; R311-A355 CarbonylContact O-C 3.43Å; R311-A355 WeakPolarHBondContact O-CA 3.35Å; R311-Y356 PolarHBondContact N-O 2.87Å; R311-Y356 PolarHBondContact O-N 2.87Å; R311-V358 HydrophobicContact CB-CG2 3.71Å
312I93.6Very high79Confident28 Ų2871.1 Ų71.114%0.14434%0.344CS..EExtended strand (participates in β ladder)trans-100.7123.5178.6-57.9178000108.2I331 A332 F340 A353 S354 A355I312-I331 HydrophobicContact CG2-CB 4.43Å; I312-I331 PolarHBondContact O-N 3.29Å; I312-A332 HydrophobicContact CB-CB 4.46Å; I312-A332 HydrophobicContact CD1-CB 4.42Å; I312-A332 PolarHBondContact N-O 2.95Å; I312-A332 PolarHBondContact O-N 3.23Å; I312-F340 HydrophobicContact CD1-CB 3.8Å; I312-F340 HydrophobicContact CD1-CG 4.46Å; I312-A353 HydrophobicContact CG2-CB 3.64Å; I312-S354 CarbonylContact C-O 3.54Å; I312-S354 WeakPolarHBondContact CA-O 3.39Å; I312-A355 HydrophobicContact CG1-CB 4.47Å
313T90.7Very high77.2Confident1 Ų180.4 Ų80.41%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-127.4152.7179.777.10000110.4R311 E328 V329 D330 A353 S354 Y356R311-T313 HydrophobicContact CG-CG2 3.98Å; T313-E328 PolarHBondContact OG1-OE2 2.91Å; T313-V329 CarbonylContact C-O 3.58Å; T313-V329 VanDerWaalsContact CA-O 3.25Å; T313-V329 WeakPolarHBondContact CA-O 3.45Å; T313-D330 WeakPolarHBondContact CG2-OD1 3.3Å; T313-A353 CarbonylContact O-C 3.54Å; T313-A353 WeakPolarHBondContact O-CA 3.4Å; T313-A353 WeakPolarHBondContact O-CB 3.35Å; T313-S354 PolarHBondContact N-O 2.9Å; T313-S354 PolarHBondContact O-N 3.4Å; T313-S354 VanDerWaalsContact O-O 3.13Å; T313-Y356 HydrophobicContact CG2-CD2 4.18Å; T313-Y356 HydrophobicContact CG2-CE2 4.35Å; T313-Y356 WeakPolarHBondContact OG1-CE2 3.32Å
314M86.1Confident75.2Confident34 Ų3488.8 Ų88.817%0.16743%0.428CS..EExtended strand (participates in β ladder)trans-131.7132.8176.1-177.1177.2-172.400109.8V329 I331 A352 A353M314-V329 PolarHBondContact N-O 3.24Å; M314-V329 PolarHBondContact O-N 3.46Å; M314-I331 HydrophobicContact CB-CD1 3.37Å; M314-I331 HydrophobicContact CB-CG1 4.13Å; M314-I331 HydrophobicContact CG-CD1 4.28Å; M314-I331 HydrophobicContact SD-CD1 3.98Å; M314-A352 WeakPolarHBondContact CE-O 3.27Å; M314-A352 WeakPolarHBondContact CG-O 3.12Å; M314-A353 HydrophobicContact CB-CB 4.21Å
315K84.1Confident73.2Confident72 Ų7297.4 Ų97.431%0.31347%0.468SS..EExtended strand (participates in β ladder)trans-79126170.6-69.5-177.9172.2-160.20109Q295 E326 E328Q295-K315 PolarHBondContact NE2-O 3.49Å; K315-E326 WeakPolarHBondContact CD-OE2 3.21Å; K315-E326 WeakPolarHBondContact CE-OE2 3.41Å; K315-E326 IonicContact NZ-OE2 3.91Å; K315-E326 PolarHBondContact NZ-OE2 3.21Å; K315-E328 HydrophobicContact CD-CG 4.46Å; K315-E328 WeakPolarHBondContact CE-OE1 3.34Å; K315-E328 HydrophobicContact CG-CG 3.65Å
316R73Confident71.4Confident108 Ų108104 Ų10441%0.40850%0.499SS..  trans-86.5111.3171.4-73.4179.7171.4166.5-2.4109.4R318 V329R316-R318 PolarHBondContact O-N 3.08Å; R316-V329 HydrophobicContact CG-CG2 4.47Å
317S57.8Low70.4Confident74 Ų74109.2 Ų109.252%0.51752%0.523SS..  trans-80.999.7161.9152.80000108.5Q406S317-Q406 VanDerWaalsContact CB-NE2 3.27Å; S317-Q406 PolarHBondContact O-NE2 2.8Å; S317-Q406 PolarHBondContact OG-NE2 2.74Å
318R51.8Low69.7Low195 Ų195110.9 Ų110.974%0.73653%0.526SS*.  trans-76.9133.6167.8-90.8-174.1169.3137.4-2.6109.9R316 K320R316-R318 PolarHBondContact O-N 3.08Å; R318-K320 PolarHBondContact O-N 3.14Å; R318-K320 VanDerWaalsContact O-N 3.16Å
319T46Very low69.3Low123 Ų123111.1 Ų111.176%0.75552%0.52SS*.  trans-55.3113.9172.215.40000110.9
320K48.6Very low68.8Low203 Ų203111.1 Ų111.188%0.88352%0.523SS*.SBendtrans20.597.6160.2-68.6179.2177.4174.30115.9R318R318-K320 PolarHBondContact O-N 3.14Å; R318-K320 VanDerWaalsContact O-N 3.16Å
321K45.1Very low68.3Low195 Ų195113.3 Ų113.385%0.84854%0.535SS*.SBend-173-9.3124.1-111.1178.1179.8-177.30120.2
322D42.5Very low67.9Low161 Ų161110.8 Ų110.886%0.86153%0.534SS*.  trans-128.3116.2177.4-66.2-49.6000110E324D322-E324 PolarHBondContact O-N 2.7Å
323E51.2Low67.9Low195 Ų195112.9 Ų112.991%0.91155%0.548SS*.  trans-67.9103.6167.4-70.3174.8162.200107.4
324E49.3Very low68Low189 Ų189113.3 Ų113.388%0.88355%0.551SS**SBendtrans-176.8119.5147.8-100.1159.5-159.600110D322D322-E324 PolarHBondContact O-N 2.7Å
325E51.6Low68.5Low185 Ų185114.3 Ų114.386%0.86456%0.559SS**  trans56.6114.1170.5-66.4-178.1163.100119.2E327E325-E327 PolarHBondContact O-N 3.5Å
326E56.7Low68.9Low138 Ų138118.6 Ų118.665%0.64557%0.573SS**  trans-6096.6161.5-73.5-175.7161.300109.3K315 E328K315-E326 WeakPolarHBondContact CD-OE2 3.21Å; K315-E326 WeakPolarHBondContact CE-OE2 3.41Å; K315-E326 IonicContact NZ-OE2 3.91Å; K315-E326 PolarHBondContact NZ-OE2 3.21Å; E326-E328 PolarHBondContact O-N 3Å
327E70.4Confident69.6Low127 Ų127114.4 Ų114.459%0.59356%0.563SS**  trans-68.2110.9173-107.8-177.2165.300110E325E325-E327 PolarHBondContact O-N 3.5Å
328E80.8Confident71Confident80 Ų80114.8 Ų114.837%0.37456%0.557SS.*EExtended strand (participates in β ladder)trans-77.5120.9165.3-78.1-165.9179.500109.6T313 K315 E326 Y356T313-E328 PolarHBondContact OG1-OE2 2.91Å; K315-E328 HydrophobicContact CD-CG 4.46Å; K315-E328 WeakPolarHBondContact CE-OE1 3.34Å; K315-E328 HydrophobicContact CG-CG 3.65Å; E326-E328 PolarHBondContact O-N 3Å; E328-Y356 PolarHBondContact OE1-OH 3.09Å
329V85.9Confident72.8Confident38 Ų38107.1 Ų107.123%0.2353%0.528CS..EExtended strand (participates in β ladder)trans-104.2127.7178.9-176.30000109.8T313 M314 R316 I331T313-V329 CarbonylContact C-O 3.58Å; T313-V329 VanDerWaalsContact CA-O 3.25Å; T313-V329 WeakPolarHBondContact CA-O 3.45Å; M314-V329 PolarHBondContact N-O 3.24Å; M314-V329 PolarHBondContact O-N 3.46Å; R316-V329 HydrophobicContact CG-CG2 4.47Å; V329-I331 PolarHBondContact O-N 2.74Å
330D86.7Confident74.8Confident93 Ų93101.5 Ų101.550%0.49749%0.494SS..EExtended strand (participates in β ladder)trans-69.4119.9173-73.3-9.3000110.2R311 T313R311-D330 WeakPolarHBondContact CD-OD1 3.28Å; R311-D330 IonicContact NH1-OD1 2.58Å; R311-D330 IonicContact NH1-OD2 2.95Å; T313-D330 WeakPolarHBondContact CG2-OD1 3.3Å
331I86.3Confident76.6Confident47 Ų4792.6 Ų92.624%0.24146%0.459CS..EExtended strand (participates in β ladder)trans-94.8-49.6179.9-62.5-176.9000110.7I312 M314 V329 A353 F397I312-I331 HydrophobicContact CG2-CB 4.43Å; I312-I331 PolarHBondContact O-N 3.29Å; M314-I331 HydrophobicContact CB-CD1 3.37Å; M314-I331 HydrophobicContact CB-CG1 4.13Å; M314-I331 HydrophobicContact CG-CD1 4.28Å; M314-I331 HydrophobicContact SD-CD1 3.98Å; V329-I331 PolarHBondContact O-N 2.74Å; I331-A353 HydrophobicContact CD1-CB 4.24Å; I331-F397 HydrophobicContact CD1-CE2 4.09Å; I331-F397 HydrophobicContact CD1-CZ 4.16Å; I331-F397 HydrophobicContact CG1-CE2 4.26Å; I331-F397 HydrophobicContact CG1-CZ 4.04Å
332A88.6Confident78.3Confident40 Ų4084 Ų8433%0.33142%0.422SS..EExtended strand (participates in β ladder)trans-157.4159.1-171.200000111.3I312I312-A332 HydrophobicContact CB-CB 4.46Å; I312-A332 HydrophobicContact CD1-CB 4.42Å; I312-A332 PolarHBondContact N-O 2.95Å; I312-A332 PolarHBondContact O-N 3.23Å
333T92.9Very high79.8Confident73 Ų7377.8 Ų77.845%0.44839%0.389SS..EExtended strand (participates in β ladder)trans-123.2123.1170.1-580000108.8Q309 V310Q309-T333 HydrophobicContact CB-CG2 4.29Å; V310-T333 CarbonylContact O-C 3.49Å; V310-T333 WeakPolarHBondContact O-CA 3.49Å
334C93.6Very high80.8Confident9 Ų968.9 Ų68.96%0.06135%0.348CS..EExtended strand (participates in β ladder)trans-96.2132.2175.9-62.90000110.2V305 Q309 V310 Q338 F340V305-C334 HydrophobicContact CG2-CB 3.97Å; Q309-C334 CarbonylContact C-O 3.59Å; Q309-C334 WeakPolarHBondContact CA-O 3.43Å; V310-C334 HydrophobicContact CB-CB 4.36Å; V310-C334 PolarHBondContact N-O 2.58Å; V310-C334 PolarHBondContact O-N 3Å; C334-Q338 HydrophobicContact CB-CB 4.19Å; C334-F340 HydrophobicContact CB-CD1 4.26Å
335T94.6Very high81.9Confident56 Ų5660.4 Ų60.434%0.34431%0.309SS..  trans-118.4177.6178.764.40000110V305 Q309 G337 Q338V305-T335 WeakPolarHBondContact CB-O 3.03Å; Q309-T335 HydrophobicContact CG-CG2 4.16Å; T335-G337 PolarHBondContact O-N 2.83Å; T335-Q338 VanDerWaalsContact O-CB 3.29Å; T335-Q338 WeakPolarHBondContact O-CB 3.23Å; T335-Q338 PolarHBondContact O-N 3.42Å; T335-Q338 PolarHBondContact OG1-OE1 3Å
336R92.9Very high82.8Confident162 Ų16252.4 Ų52.461%0.61127%0.273SS*.THydrogen-bonded Turntrans-47.3128.4-177.7177.3175.1177.2116-9112.8F259 V305 E306 Q338F259-R336 HydrophobicContact CE2-CG 4.24Å; V305-R336 WeakPolarHBondContact O-CA 3.35Å; E306-R336 WeakPolarHBondContact O-CD 3.33Å; E306-R336 WeakPolarHBondContact O-CG 3.12Å; E306-R336 PolarHBondContact O-NH1 3.29Å; R336-Q338 VanDerWaalsContact C-N 3.28Å
337G87.6Confident83.4Confident19 Ų1948 Ų4820%0.19626%0.255CS..THydrogen-bonded Turntrans85.5-9.6-179.400000114.5L263 V305 T335L263-G337 WeakPolarHBondContact CD2-O 3.15Å; V305-G337 PolarHBondContact O-N 3.46Å; T335-G337 PolarHBondContact O-N 2.83Å
338Q88.9Confident83.5Confident83 Ų8348.9 Ų48.939%0.38826%0.264SS..  trans-85.8151.8170.5-59.1-179.7-6200110.2V305 C334 T335 R336V305-Q338 PolarHBondContact N-O 3.08Å; C334-Q338 HydrophobicContact CB-CB 4.19Å; T335-Q338 VanDerWaalsContact O-CB 3.29Å; T335-Q338 WeakPolarHBondContact O-CB 3.23Å; T335-Q338 PolarHBondContact O-N 3.42Å; T335-Q338 PolarHBondContact OG1-OE1 3Å; R336-Q338 VanDerWaalsContact C-N 3.28Å
339Y87.7Confident83.5Confident34 Ų3449.3 Ų49.313%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-118.3160.9178.263.8-87.9000110.5L265 Y303 E342L265-Y339 HydrophobicContact CB-CD1 4.5Å; L265-Y339 HydrophobicContact CB-CE1 4.06Å; L265-Y339 HydrophobicContact CD2-CD1 4.3Å; L265-Y339 HydrophobicContact CD2-CD2 4.42Å; L265-Y339 HydrophobicContact CD2-CE1 4.19Å; L265-Y339 HydrophobicContact CD2-CE2 4.29Å; L265-Y339 HydrophobicContact CD2-CG 4.42Å; Y303-Y339 CarbonylContact O-C 3.53Å; Y303-Y339 WeakPolarHBondContact O-CA 3.26Å; Y303-Y339 VanDerWaalsContact O-CB 3.27Å; Y303-Y339 WeakPolarHBondContact O-CB 3.3Å; Y339-E342 HydrophobicContact CD2-CB 4.32Å; Y339-E342 HydrophobicContact CD2-CG 4.27Å; Y339-E342 HydrophobicContact CE2-CB 4.18Å; Y339-E342 HydrophobicContact CE2-CG 3.78Å
340F89.6Confident83.6Confident5 Ų550.5 Ų50.52%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-153.7159.9177.462.8-83.4000111.3V292 I293 Y303 V305 V310 I312 C334 E342 A355V292-F340 HydrophobicContact CG1-CE2 3.95Å; V292-F340 HydrophobicContact CG1-CZ 3.91Å; I293-F340 HydrophobicContact CD1-CD2 3.65Å; I293-F340 HydrophobicContact CD1-CE2 3.69Å; I293-F340 HydrophobicContact CG1-CE2 4.15Å; Y303-F340 VanDerWaalsContact CB-CE1 3.5Å; Y303-F340 HydrophobicContact CD1-CZ 4.44Å; Y303-F340 HydrophobicContact CD2-CD2 4.37Å; Y303-F340 AromaticContact CD2-CE2 3.88Å; Y303-F340 HydrophobicContact CD2-CE2 3.88Å; Y303-F340 HydrophobicContact CD2-CZ 4.31Å; Y303-F340 HydrophobicContact CG-CE1 4.46Å; Y303-F340 AromaticContact CG-CE2 3.85Å; Y303-F340 HydrophobicContact CG-CE2 3.85Å; Y303-F340 AromaticContact CG-CZ 3.8Å; Y303-F340 HydrophobicContact CG-CZ 3.8Å; Y303-F340 PolarHBondContact N-O 2.91Å; Y303-F340 PolarHBondContact O-N 3.07Å; V305-F340 HydrophobicContact CG2-CD1 4.12Å; V305-F340 HydrophobicContact CG2-CE1 3.76Å; V310-F340 HydrophobicContact CB-CE1 4.19Å; V310-F340 HydrophobicContact CB-CZ 4.39Å; V310-F340 HydrophobicContact CG1-CE1 4.1Å; V310-F340 HydrophobicContact CG1-CE2 4.19Å; V310-F340 HydrophobicContact CG1-CZ 3.89Å; V310-F340 HydrophobicContact CG2-CE1 3.95Å; V310-F340 HydrophobicContact CG2-CZ 4.08Å; I312-F340 HydrophobicContact CD1-CB 3.8Å; I312-F340 HydrophobicContact CD1-CG 4.46Å; C334-F340 HydrophobicContact CB-CD1 4.26Å; F340-E342 WeakPolarHBondContact CA-OE2 3.03Å; F340-A355 HydrophobicContact CD2-CB 4.08Å; F340-A355 HydrophobicContact CE2-CB 3.82Å
341G86.3Confident83.7Confident15 Ų1546.7 Ų46.716%0.15525%0.252CS..  trans85.311.4-179.700000114.1R351G341-R351 VanDerWaalsContact C-NH1 3.3Å; G341-R351 PolarHBondContact O-NH1 3.22Å
342E79.5Confident83.6Confident14 Ų1446.4 Ų46.47%0.06526%0.257CS..  trans-69.9-32.4172.275.5-70168.600112.6Y339 F340 A344 L345 V346 M382 I386Y339-E342 HydrophobicContact CD2-CB 4.32Å; Y339-E342 HydrophobicContact CD2-CG 4.27Å; Y339-E342 HydrophobicContact CE2-CB 4.18Å; Y339-E342 HydrophobicContact CE2-CG 3.78Å; F340-E342 WeakPolarHBondContact CA-OE2 3.03Å; E342-A344 PolarHBondContact O-N 3.13Å; E342-L345 WeakPolarHBondContact O-CB 3.16Å; E342-L345 PolarHBondContact O-N 2.89Å; E342-V346 PolarHBondContact O-N 2.99Å; E342-M382 HydrophobicContact CB-SD 3.77Å; E342-I386 HydrophobicContact CG-CD1 4.49Å
343L75.1Confident83.6Confident32 Ų3245.5 Ų45.517%0.16825%0.249CC..Hα-helixtrans-61.4-43.4-168.5-174.669.4000113.3L345 V346 T347 A352 I386 L393L343-L345 PolarHBondContact O-N 3.41Å; L343-V346 PolarHBondContact O-N 3.28Å; L343-T347 HydrophobicContact CD1-CG2 3.94Å; L343-T347 HydrophobicContact CG-CG2 4.27Å; L343-T347 WeakPolarHBondContact O-CB 3.32Å; L343-T347 WeakPolarHBondContact O-CG2 2.97Å; L343-T347 PolarHBondContact O-N 3.41Å; L343-T347 PolarHBondContact O-OG1 2.78Å; L343-A352 HydrophobicContact CD2-CB 4.19Å; L343-I386 HydrophobicContact CD1-CD1 4.15Å; L343-L393 HydrophobicContact CD1-CD1 4.22Å; L343-L393 HydrophobicContact CD2-CD1 3.44Å; L343-L393 VanDerWaalsContact CD2-CD1 3.44Å; L343-L393 HydrophobicContact CG-CD1 4.47Å
344A71.5Confident83.7Confident8 Ų842.2 Ų42.27%0.06623%0.229CC..Hα-helixtrans-66.6-27.5-179.900000112.2A299 E342 N348 K349A299-A344 HydrophobicContact CB-CB 3.26Å; E342-A344 PolarHBondContact O-N 3.13Å; A344-N348 WeakPolarHBondContact O-CA 3.35Å; A344-N348 PolarHBondContact O-N 3.24Å; A344-K349 WeakPolarHBondContact CA-O 3.43Å; A344-K349 VanDerWaalsContact CB-O 3.27Å; A344-K349 WeakPolarHBondContact CB-O 3.17Å; A344-K349 PolarHBondContact O-N 3.43Å
345L71.8Confident83.8Confident10 Ų1041.9 Ų41.95%0.05223%0.227CC..Hα-helixtrans-73.7-45.2174.1-56.4164.6000110.2A299 F302 E342 L343 N348 V368 M379 M382A299-L345 HydrophobicContact CB-CD2 3.8Å; A299-L345 HydrophobicContact CB-CG 4.24Å; A299-L345 WeakPolarHBondContact O-CD2 3.42Å; F302-L345 HydrophobicContact CB-CD1 3.82Å; F302-L345 HydrophobicContact CD1-CD1 3.95Å; F302-L345 HydrophobicContact CG-CD1 4.34Å; E342-L345 WeakPolarHBondContact O-CB 3.16Å; E342-L345 PolarHBondContact O-N 2.89Å; L343-L345 PolarHBondContact O-N 3.41Å; L345-N348 PolarHBondContact O-OD1 2.91Å; L345-V368 HydrophobicContact CB-CG2 4.28Å; L345-V368 HydrophobicContact CD1-CG2 3.18Å; L345-V368 HydrophobicContact CD2-CB 4.24Å; L345-V368 HydrophobicContact CD2-CG2 3.44Å; L345-V368 VanDerWaalsContact CD2-CG2 3.44Å; L345-V368 HydrophobicContact CG-CG2 3.75Å; L345-M379 WeakPolarHBondContact O-CE 3.37Å; L345-M379 VanDerWaalsContact O-SD 3.35Å; L345-M382 HydrophobicContact CD1-CE 4.31Å
346V70.4Confident83.9Confident18 Ų1841 Ų4111%0.10922%0.217CC..Hα-helixtrans-68-39.7-178.61800000113.2E342 L343 M379 M382 K383 I386E342-V346 PolarHBondContact O-N 2.99Å; L343-V346 PolarHBondContact O-N 3.28Å; V346-M379 VanDerWaalsContact CA-CE 3.41Å; V346-M379 VanDerWaalsContact CA-SD 3.55Å; V346-M379 HydrophobicContact CB-CE 4.44Å; V346-M379 HydrophobicContact CB-SD 4.3Å; V346-M379 HydrophobicContact CG2-SD 3.89Å; V346-M379 WeakPolarHBondContact O-CE 3.45Å; V346-M382 HydrophobicContact CG2-CB 3.91Å; V346-M382 HydrophobicContact CG2-SD 4.13Å; V346-K383 HydrophobicContact CG1-CG 3.74Å; V346-I386 HydrophobicContact CB-CD1 3.85Å; V346-I386 HydrophobicContact CB-CG1 4.47Å; V346-I386 HydrophobicContact CG1-CD1 3.88Å; V346-I386 HydrophobicContact CG1-CG1 3.96Å; V346-I386 HydrophobicContact CG2-CD1 3.87Å
347T70.3Confident84.1Confident44 Ų4433.4 Ų33.427%0.2719%0.189SC..Hα-helixtrans-89.6-9.8-175.858.50000113.6L343 K349L343-T347 HydrophobicContact CD1-CG2 3.94Å; L343-T347 HydrophobicContact CG-CG2 4.27Å; L343-T347 WeakPolarHBondContact O-CB 3.32Å; L343-T347 WeakPolarHBondContact O-CG2 2.97Å; L343-T347 PolarHBondContact O-N 3.41Å; L343-T347 PolarHBondContact O-OG1 2.78Å; T347-K349 PolarHBondContact O-N 3.05Å
348N72.5Confident84.5Confident147 Ų14735.2 Ų35.279%0.78620%0.196SC*.THydrogen-bonded Turntrans5130.9-168.8-72.9-32.1000113.1A344 L345A344-N348 WeakPolarHBondContact O-CA 3.35Å; A344-N348 PolarHBondContact O-N 3.24Å; L345-N348 PolarHBondContact O-OD1 2.91Å
349K80.4Confident84.8Confident88 Ų8832.6 Ų32.638%0.38319%0.192SC..SBendtrans-108158.3175.9-67.6-176.3179.2-175.10110.1A344 T347A344-K349 WeakPolarHBondContact CA-O 3.43Å; A344-K349 VanDerWaalsContact CB-O 3.27Å; A344-K349 WeakPolarHBondContact CB-O 3.17Å; A344-K349 PolarHBondContact O-N 3.43Å; T347-K349 PolarHBondContact O-N 3.05Å
350P87.4Confident85.2Confident63 Ų6335.1 Ų35.141%0.40922%0.215SC..  trans-55.8162.2170.5-23.233.7000112.7G296 D297 A352G296-P350 WeakPolarHBondContact O-CB 3.4Å; D297-P350 CarbonylContact O-C 3.59Å; D297-P350 WeakPolarHBondContact O-CA 3.42Å; P350-A352 PolarHBondContact O-N 2.86Å; P350-A352 VanDerWaalsContact O-N 3.11Å
351R89.2Confident85.6Confident14 Ų1434.9 Ų34.95%0.05321%0.213CC..  trans-53.3117.4177.7-65.7-66.3-172.9-170.8-1.6110.5I293 A294 Q295 G296 D297 C301 G341 A353I293-R351 HydrophobicContact CG2-CB 3.96Å; I293-R351 HydrophobicContact CG2-CG 3.6Å; A294-R351 VanDerWaalsContact O-CB 3.29Å; A294-R351 WeakPolarHBondContact O-CB 3.39Å; Q295-R351 WeakPolarHBondContact CA-O 3.32Å; G296-R351 PolarHBondContact N-O 3.07Å; D297-R351 HydrophobicContact CB-CG 4.09Å; D297-R351 VanDerWaalsContact O-CG 3.29Å; D297-R351 WeakPolarHBondContact O-CG 3.45Å; D297-R351 PolarHBondContact O-N 3.44Å; C301-R351 PolarHBondContact O-NH1 2.89Å; C301-R351 PolarHBondContact O-NH2 2.93Å; G341-R351 VanDerWaalsContact C-NH1 3.3Å; G341-R351 PolarHBondContact O-NH1 3.22Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 3.47Å
352A85.3Confident86Confident41 Ų4136.9 Ų36.934%0.33922%0.218SC..SBendtrans-71.6-25.2-17900000113.4Q295 M314 L343 P350Q295-A352 WeakPolarHBondContact CG-O 3.36Å; Q295-A352 PolarHBondContact NE2-O 2.87Å; M314-A352 WeakPolarHBondContact CE-O 3.27Å; M314-A352 WeakPolarHBondContact CG-O 3.12Å; L343-A352 HydrophobicContact CD2-CB 4.19Å; P350-A352 PolarHBondContact O-N 2.86Å; P350-A352 VanDerWaalsContact O-N 3.11Å
353A89.2Confident86.8Confident20 Ų2036.2 Ų36.217%0.16522%0.215CC..SBendtrans-142.7155-173.600000110.7I312 T313 M314 I331 R351I312-A353 HydrophobicContact CG2-CB 3.64Å; T313-A353 CarbonylContact O-C 3.54Å; T313-A353 WeakPolarHBondContact O-CA 3.4Å; T313-A353 WeakPolarHBondContact O-CB 3.35Å; M314-A353 HydrophobicContact CB-CB 4.21Å; I331-A353 HydrophobicContact CD1-CB 4.24Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 3.47Å
354S93.4Very high87.6Confident4 Ų434.8 Ų34.83%0.02821%0.207CC..EExtended strand (participates in β ladder)trans-85.1153.9168.9-68.30000110.2I293 Q295 I312 T313I293-S354 CarbonylContact O-C 3.54Å; I293-S354 VanDerWaalsContact O-CA 3.23Å; I293-S354 WeakPolarHBondContact O-CA 3.18Å; Q295-S354 WeakPolarHBondContact CB-OG 3.41Å; Q295-S354 PolarHBondContact N-OG 3.41Å; I312-S354 CarbonylContact C-O 3.54Å; I312-S354 WeakPolarHBondContact CA-O 3.39Å; T313-S354 PolarHBondContact N-O 2.9Å; T313-S354 PolarHBondContact O-N 3.4Å; T313-S354 VanDerWaalsContact O-O 3.13Å
355A95.9Very high88.7Confident2 Ų234.8 Ų34.82%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-130.1132.5174.400000109.7V292 I293 V310 R311 I312 F340V292-A355 HydrophobicContact CB-CB 4.34Å; V292-A355 PolarHBondContact N-O 3.33Å; I293-A355 HydrophobicContact CB-CB 3.94Å; I293-A355 HydrophobicContact CD1-CB 4.45Å; I293-A355 HydrophobicContact CG1-CB 4.26Å; I293-A355 PolarHBondContact N-O 2.85Å; I293-A355 PolarHBondContact O-N 2.9Å; V310-A355 HydrophobicContact CG1-CB 3.81Å; R311-A355 CarbonylContact O-C 3.43Å; R311-A355 WeakPolarHBondContact O-CA 3.35Å; I312-A355 HydrophobicContact CG1-CB 4.47Å; F340-A355 HydrophobicContact CD2-CB 4.08Å; F340-A355 HydrophobicContact CE2-CB 3.82Å
356Y96.6Very high89.5Confident38 Ų3834.4 Ų34.415%0.14920%0.204CC..EExtended strand (participates in β ladder)trans-125.4139.4-177.8-59.4-82.7000110.8Q290 Q291 V310 R311 T313 E328Q290-Y356 WeakPolarHBondContact O-CA 3.43Å; Q291-Y356 HydrophobicContact CB-CD1 3.85Å; Q291-Y356 HydrophobicContact CB-CE1 3.76Å; Q291-Y356 HydrophobicContact CG-CD1 4.03Å; Q291-Y356 HydrophobicContact CG-CE1 3.69Å; V310-Y356 CarbonylContact C-O 3.55Å; V310-Y356 WeakPolarHBondContact CA-O 3.47Å; R311-Y356 PolarHBondContact N-O 2.87Å; R311-Y356 PolarHBondContact O-N 2.87Å; T313-Y356 HydrophobicContact CG2-CD2 4.18Å; T313-Y356 HydrophobicContact CG2-CE2 4.35Å; T313-Y356 WeakPolarHBondContact OG1-CE2 3.32Å; E328-Y356 PolarHBondContact OE1-OH 3.09Å
357A97.7Very high90.3Very high2 Ų236.4 Ų36.42%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-69.7136.8173.200000111N287 S289 Q290 V292 V361N287-A357 VanDerWaalsContact O-CB 3.28Å; N287-A357 WeakPolarHBondContact O-CB 3.42Å; S289-A357 VanDerWaalsContact CA-O 3.3Å; S289-A357 WeakPolarHBondContact CA-O 3.35Å; S289-A357 PolarHBondContact N-O 3.28Å; Q290-A357 PolarHBondContact O-N 2.82Å; V292-A357 HydrophobicContact CG2-CB 4.49Å; A357-V361 HydrophobicContact CB-CB 3.98Å; A357-V361 HydrophobicContact CB-CG2 3.61Å
358V96.6Very high90.9Very high57 Ų5735 Ų3535%0.34521%0.206SC..EExtended strand (participates in β ladder)trans-113.4106172.7-177.30000107.6Q309 R311Q309-V358 HydrophobicContact CB-CB 4.18Å; Q309-V358 WeakPolarHBondContact O-CB 3.38Å; Q309-V358 PolarHBondContact O-N 2.73Å; R311-V358 HydrophobicContact CB-CG2 3.71Å
359G95.2Very high91.5Very high29 Ų2934.9 Ų34.930%0.29920%0.198SC..EExtended strand (participates in β ladder)trans73.2-158.8-166.200000112.9N287 D288 V361N287-G359 CarbonylContact C-O 3.54Å; D288-G359 VanDerWaalsContact CA-O 3.28Å; D288-G359 WeakPolarHBondContact CA-O 3.49Å; D288-G359 PolarHBondContact N-O 3.11Å; D288-G359 WeakPolarHBondContact OD1-CA 3.01Å; D288-G359 PolarHBondContact OD1-N 3.37Å; G359-V361 PolarHBondContact O-N 3.18Å
360S96.1Very high91.7Very high87 Ų8731.4 Ų31.461%0.60819%0.186SC*.EExtended strand (participates in β ladder)trans-77.8120.8172.7-175.50000110
361V97.2Very high91.3Very high0 Ų028.4 Ų28.40%017%0.167CC..EExtended strand (participates in β ladder)trans-120.7136.6-175.71790000109.9V285 Y286 S307 Q309 V310 A357 G359V285-V361 CarbonylContact C-O 3.57Å; V285-V361 WeakPolarHBondContact CA-O 3.41Å; Y286-V361 PolarHBondContact N-O 3.48Å; Y286-V361 PolarHBondContact O-N 2.95Å; S307-V361 WeakPolarHBondContact O-CA 3.31Å; Q309-V361 WeakPolarHBondContact O-CG2 3.34Å; V310-V361 HydrophobicContact CG2-CG1 3.64Å; V310-V361 HydrophobicContact CG2-CG2 4.5Å; A357-V361 HydrophobicContact CB-CB 3.98Å; A357-V361 HydrophobicContact CB-CG2 3.61Å; G359-V361 PolarHBondContact O-N 3.18Å
362K95.4Very high90.9Very high57 Ų5731.6 Ų31.625%0.24818%0.182CC..EExtended strand (participates in β ladder)trans-117.3123.7170.9-169.3176.9178.4-157.80108.6T283 R284 V285 E306 S307T283-K362 HydrophobicContact CG2-CD 4.05Å; T283-K362 HydrophobicContact CG2-CG 3.72Å; R284-K362 WeakPolarHBondContact O-CA 3.09Å; V285-K362 HydrophobicContact CG2-CG 4.15Å; E306-K362 WeakPolarHBondContact CA-O 3.44Å; E306-K362 HydrophobicContact CB-CB 4.36Å; E306-K362 HydrophobicContact CB-CG 4.33Å; E306-K362 WeakPolarHBondContact CB-O 3.23Å; E306-K362 HydrophobicContact CG-CD 4.49Å; E306-K362 PolarHBondContact N-O 3.23Å; E306-K362 WeakPolarHBondContact OE1-CE 3.27Å; E306-K362 IonicContact OE1-NZ 3.29Å; E306-K362 PolarHBondContact OE1-NZ 3.39Å; E306-K362 WeakPolarHBondContact OE2-CD 3.3Å; E306-K362 WeakPolarHBondContact OE2-CE 3.34Å; E306-K362 IonicContact OE2-NZ 3.7Å; E306-K362 PolarHBondContact OE2-NZ 2.83Å; S307-K362 PolarHBondContact N-O 3.47Å; S307-K362 PolarHBondContact O-N 3.41Å; S307-K362 VanDerWaalsContact OG-CB 3.29Å; S307-K362 WeakPolarHBondContact OG-CB 3.39Å
363C95.4Very high90.9Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-118144177.5-62.90000110.7R284 Y286 Y303 I304R284-C363 PolarHBondContact N-O 2.62Å; R284-C363 PolarHBondContact O-N 3.49Å; Y286-C363 HydrophobicContact CE2-CB 4.14Å; Y303-C363 HydrophobicContact CD1-CB 4.2Å; I304-C363 CarbonylContact O-C 3.58Å; I304-C363 VanDerWaalsContact O-CA 3.27Å; I304-C363 WeakPolarHBondContact O-CA 3.4Å
364L93.1Very high90.4Very high1 Ų141 Ų411%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-87.4134.1162-52.9178000108.2Y256 F259 L281 S282 Y303 I304 E306Y256-L364 HydrophobicContact CD1-CD1 3.97Å; Y256-L364 HydrophobicContact CD1-CD2 4.28Å; Y256-L364 HydrophobicContact CE1-CD1 3.96Å; Y256-L364 HydrophobicContact CE1-CD2 3.55Å; Y256-L364 HydrophobicContact CE1-CG 4.34Å; Y256-L364 HydrophobicContact CE2-CD2 4.45Å; F259-L364 HydrophobicContact CD1-CD1 3.67Å; F259-L364 HydrophobicContact CE1-CD1 3.66Å; L281-L364 HydrophobicContact CD1-CD1 4.18Å; L281-L364 HydrophobicContact CD2-CB 4.23Å; S282-L364 CarbonylContact O-C 3.57Å; S282-L364 WeakPolarHBondContact O-CA 3.3Å; Y303-L364 CarbonylContact C-O 3.6Å; Y303-L364 VanDerWaalsContact CA-O 3.3Å; Y303-L364 WeakPolarHBondContact CA-O 3.3Å; I304-L364 HydrophobicContact CB-CB 4.32Å; I304-L364 PolarHBondContact N-O 3.43Å; I304-L364 PolarHBondContact O-N 2.83Å; E306-L364 HydrophobicContact CB-CG 4.37Å; E306-L364 WeakPolarHBondContact OE2-CD2 3.43Å
365V93.4Very high89.6Confident9 Ų942.4 Ų42.46%0.05522%0.216CC..EExtended strand (participates in β ladder)trans-113127.4-178-171.40000108.1S282 R284 C301 Y303S282-V365 PolarHBondContact N-O 3.4Å; S282-V365 VanDerWaalsContact N-O 3.14Å; S282-V365 PolarHBondContact O-N 3.33Å; R284-V365 HydrophobicContact CB-CG2 4.04Å; R284-V365 HydrophobicContact CG-CG2 3.65Å; C301-V365 HydrophobicContact CB-CG1 3.89Å; Y303-V365 HydrophobicContact CD1-CB 4.44Å; Y303-V365 HydrophobicContact CD1-CG1 4.39Å; Y303-V365 HydrophobicContact CD1-CG2 3.69Å; Y303-V365 HydrophobicContact CE1-CB 4.32Å; Y303-V365 HydrophobicContact CE1-CG1 3.95Å; Y303-V365 HydrophobicContact CE1-CG2 3.55Å
366M88.3Confident88.6Confident1 Ų143.5 Ų43.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-121115.3179.4-170.3130.772.700109.9L266 V277 L281 C301 F302 F371L266-M366 HydrophobicContact CD1-CE 4.34Å; V277-M366 HydrophobicContact CG1-CE 4.18Å; V277-M366 HydrophobicContact CG1-SD 3.59Å; V277-M366 VanDerWaalsContact CG1-SD 3.59Å; L281-M366 HydrophobicContact CD2-CB 4.11Å; L281-M366 HydrophobicContact CD2-CG 4.45Å; L281-M366 HydrophobicContact CD2-SD 3.72Å; C301-M366 CarbonylContact C-O 3.52Å; C301-M366 WeakPolarHBondContact CA-O 3.15Å; C301-M366 WeakPolarHBondContact CB-O 3.47Å; F302-M366 HydrophobicContact CD1-CB 4.04Å; F302-M366 HydrophobicContact CD1-CG 4.44Å; F302-M366 HydrophobicContact CE1-CB 3.76Å; F302-M366 HydrophobicContact CE1-CE 3.64Å; F302-M366 HydrophobicContact CE1-CG 3.77Å; F302-M366 HydrophobicContact CE2-CB 4.41Å; F302-M366 HydrophobicContact CE2-CE 3.75Å; F302-M366 HydrophobicContact CZ-CB 4.04Å; F302-M366 HydrophobicContact CZ-CE 3.03Å; F302-M366 HydrophobicContact CZ-CG 4.13Å; F302-M366 HydrophobicContact CZ-SD 4.41Å; F302-M366 PolarHBondContact N-O 3.02Å; F302-M366 PolarHBondContact O-N 3.26Å; M366-F371 HydrophobicContact CE-CD2 3.61Å; M366-F371 HydrophobicContact CE-CE2 3.72Å; M366-F371 HydrophobicContact CG-CB 4.38Å; M366-F371 HydrophobicContact CG-CD2 4.08Å; M366-F371 HydrophobicContact SD-CD2 3.58Å; M366-F371 VanDerWaalsContact SD-CD2 3.58Å; M366-F371 HydrophobicContact SD-CE2 4.17Å
367D88.6Confident87.4Confident60 Ų6045.5 Ų45.532%0.32124%0.244SC..EExtended strand (participates in β ladder)trans-74.4130.5172.8179-72000109.9K369 A370 F371D367-K369 WeakPolarHBondContact OD1-CA 3.38Å; D367-K369 VanDerWaalsContact OD1-CB 3.3Å; D367-K369 WeakPolarHBondContact OD1-CB 3.43Å; D367-K369 PolarHBondContact OD1-N 3.2Å; D367-A370 HydrophobicContact CB-CB 3.95Å; D367-A370 PolarHBondContact O-N 3.15Å; D367-A370 PolarHBondContact OD1-N 3.47Å; D367-F371 PolarHBondContact O-N 2.99Å
368V82.1Confident85.9Confident14 Ų1445.5 Ų45.59%0.08524%0.244CC..Hα-helixtrans-69.4-38.6-176.1174.80000112.1D300 F302 L345 A370 F371 E372D300-V368 PolarHBondContact O-N 3.03Å; F302-V368 HydrophobicContact CD1-CG2 4.38Å; L345-V368 HydrophobicContact CB-CG2 4.28Å; L345-V368 HydrophobicContact CD1-CG2 3.18Å; L345-V368 HydrophobicContact CD2-CB 4.24Å; L345-V368 HydrophobicContact CD2-CG2 3.44Å; L345-V368 VanDerWaalsContact CD2-CG2 3.44Å; L345-V368 HydrophobicContact CG-CG2 3.75Å; V368-A370 VanDerWaalsContact C-N 3.27Å; V368-A370 PolarHBondContact O-N 2.96Å; V368-F371 PolarHBondContact O-N 3.47Å; V368-E372 HydrophobicContact CG1-CG 4.01Å; V368-E372 WeakPolarHBondContact O-CB 3.34Å; V368-E372 WeakPolarHBondContact O-CG 3.41Å; V368-E372 PolarHBondContact O-N 2.69Å
369K84.5Confident84.3Confident145 Ų14544 Ų4463%0.6323%0.234SC*.Hα-helixtrans-65.7-36.1177.6-60.7175.8-179.8170.70110.4D367 R373D367-K369 WeakPolarHBondContact OD1-CA 3.38Å; D367-K369 VanDerWaalsContact OD1-CB 3.3Å; D367-K369 WeakPolarHBondContact OD1-CB 3.43Å; D367-K369 PolarHBondContact OD1-N 3.2Å; K369-R373 WeakPolarHBondContact O-CB 3.38Å; K369-R373 VanDerWaalsContact O-CG 3.24Å; K369-R373 WeakPolarHBondContact O-CG 3.32Å; K369-R373 PolarHBondContact O-N 2.99Å; K369-R373 PolarHBondContact O-NE 3.41Å
370A84.6Confident83Confident15 Ų1547.2 Ų47.212%0.12424%0.244CC..Hα-helixtrans-64.6-47.6172.400000111.3D367 V368 R373 L374D367-A370 HydrophobicContact CB-CB 3.95Å; D367-A370 PolarHBondContact O-N 3.15Å; D367-A370 PolarHBondContact OD1-N 3.47Å; V368-A370 VanDerWaalsContact C-N 3.27Å; V368-A370 PolarHBondContact O-N 2.96Å; A370-R373 PolarHBondContact O-N 2.64Å; A370-L374 WeakPolarHBondContact O-CG 3.37Å; A370-L374 PolarHBondContact O-N 2.93Å
371F78.8Confident81.6Confident1 Ų144.5 Ų44.50%0.00422%0.223CC..Hα-helixtrans-60-49.1177.4-169.6-73.4000111.9L266 V277 M366 D367 V368 R373 L374 L375 C378 I381L266-F371 HydrophobicContact CD2-CE2 4.26Å; L266-F371 HydrophobicContact CD2-CZ 4.38Å; V277-F371 HydrophobicContact CG2-CD2 4.47Å; V277-F371 HydrophobicContact CG2-CE2 4.13Å; M366-F371 HydrophobicContact CE-CD2 3.61Å; M366-F371 HydrophobicContact CE-CE2 3.72Å; M366-F371 HydrophobicContact CG-CB 4.38Å; M366-F371 HydrophobicContact CG-CD2 4.08Å; M366-F371 HydrophobicContact SD-CD2 3.58Å; M366-F371 VanDerWaalsContact SD-CD2 3.58Å; M366-F371 HydrophobicContact SD-CE2 4.17Å; D367-F371 PolarHBondContact O-N 2.99Å; V368-F371 PolarHBondContact O-N 3.47Å; F371-R373 VanDerWaalsContact C-N 3.28Å; F371-R373 PolarHBondContact O-N 2.81Å; F371-L374 PolarHBondContact O-N 2.76Å; F371-L375 HydrophobicContact CD1-CB 4.07Å; F371-L375 HydrophobicContact CD1-CD1 4.43Å; F371-L375 HydrophobicContact CD2-CD1 4.25Å; F371-L375 HydrophobicContact CE1-CB 3.65Å; F371-L375 HydrophobicContact CE1-CD1 3.8Å; F371-L375 HydrophobicContact CE1-CG 4.28Å; F371-L375 HydrophobicContact CE2-CD1 3.61Å; F371-L375 HydrophobicContact CZ-CB 4.13Å; F371-L375 HydrophobicContact CZ-CD1 3.37Å; F371-L375 HydrophobicContact CZ-CG 4.33Å; F371-L375 PolarHBondContact O-N 3.45Å; F371-C378 HydrophobicContact CB-CB 4.48Å; F371-C378 HydrophobicContact CD1-CB 3.18Å; F371-C378 WeakPolarHBondContact CD1-SG 3.45Å; F371-C378 HydrophobicContact CE1-CB 3.44Å; F371-C378 VanDerWaalsContact CE1-CB 3.44Å; F371-C378 WeakPolarHBondContact CE1-SG 3.18Å; F371-C378 HydrophobicContact CG-CB 3.91Å; F371-C378 VanDerWaalsContact CG-SG 3.56Å; F371-C378 HydrophobicContact CZ-CB 4.31Å; F371-C378 WeakPolarHBondContact CZ-SG 3.44Å; F371-I381 HydrophobicContact CE1-CD1 4.46Å; F371-I381 HydrophobicContact CZ-CD1 4.3Å
372E82Confident80.1Confident81 Ų8144.7 Ų44.738%0.37922%0.224SC..Hα-helixtrans-62.7-35.6-175.9-74.9-175.6161.900112.8V368 L374 G376 C378V368-E372 HydrophobicContact CG1-CG 4.01Å; V368-E372 WeakPolarHBondContact O-CB 3.34Å; V368-E372 WeakPolarHBondContact O-CG 3.41Å; V368-E372 PolarHBondContact O-N 2.69Å; E372-L374 VanDerWaalsContact C-N 3.3Å; E372-L374 PolarHBondContact O-N 2.95Å; E372-G376 VanDerWaalsContact CA-O 3.29Å; E372-G376 WeakPolarHBondContact CA-O 3.09Å; E372-G376 WeakPolarHBondContact O-CA 3.47Å; E372-G376 PolarHBondContact O-N 3.32Å; E372-C378 HydrophobicContact CG-CB 4.34Å
373R83.9Confident78.6Confident198 Ų19846.8 Ų46.875%0.74723%0.232SC*.Hα-helixtrans-67.7-29.9173.6-73.4-179.5-60.4-163.14113K369 A370 F371K369-R373 WeakPolarHBondContact O-CB 3.38Å; K369-R373 VanDerWaalsContact O-CG 3.24Å; K369-R373 WeakPolarHBondContact O-CG 3.32Å; K369-R373 PolarHBondContact O-N 2.99Å; K369-R373 PolarHBondContact O-NE 3.41Å; A370-R373 PolarHBondContact O-N 2.64Å; F371-R373 VanDerWaalsContact C-N 3.28Å; F371-R373 PolarHBondContact O-N 2.81Å
374L80Confident77.1Confident60 Ų6055.8 Ų55.831%0.31427%0.266SS..Hα-helixtrans-89-41.3-175.1-72.5174000113.4K276 V280 A370 F371 E372K276-L374 HydrophobicContact CB-CD1 4.37Å; K276-L374 HydrophobicContact CB-CD2 4.4Å; V280-L374 HydrophobicContact CB-CD1 4.21Å; V280-L374 HydrophobicContact CG1-CD1 3.51Å; V280-L374 HydrophobicContact CG2-CD1 3.65Å; A370-L374 WeakPolarHBondContact O-CG 3.37Å; A370-L374 PolarHBondContact O-N 2.93Å; F371-L374 PolarHBondContact O-N 2.76Å; E372-L374 VanDerWaalsContact C-N 3.3Å; E372-L374 PolarHBondContact O-N 2.95Å
375L75.9Confident75.3Confident34 Ų3458.8 Ų58.818%0.17828%0.283CS..Hα-helixtrans-123.2-0.6-168.9-62.2-176.5000113.6L269 E273 K276 V277 F371L269-L375 HydrophobicContact CD1-CD1 3.75Å; L269-L375 HydrophobicContact CD2-CD1 3.96Å; E273-L375 HydrophobicContact CB-CD2 3.49Å; E273-L375 VanDerWaalsContact CB-CD2 3.49Å; E273-L375 HydrophobicContact CG-CD2 3.66Å; K276-L375 HydrophobicContact CD-CD2 4.5Å; V277-L375 HydrophobicContact CG2-CD1 3.36Å; V277-L375 HydrophobicContact CG2-CG 4.38Å; F371-L375 HydrophobicContact CD1-CB 4.07Å; F371-L375 HydrophobicContact CD1-CD1 4.43Å; F371-L375 HydrophobicContact CD2-CD1 4.25Å; F371-L375 HydrophobicContact CE1-CB 3.65Å; F371-L375 HydrophobicContact CE1-CD1 3.8Å; F371-L375 HydrophobicContact CE1-CG 4.28Å; F371-L375 HydrophobicContact CE2-CD1 3.61Å; F371-L375 HydrophobicContact CZ-CB 4.13Å; F371-L375 HydrophobicContact CZ-CD1 3.37Å; F371-L375 HydrophobicContact CZ-CG 4.33Å; F371-L375 PolarHBondContact O-N 3.45Å
376G75.9Confident73.7Confident24 Ų2459.1 Ų59.125%0.24728%0.284CS..SBendtrans78.6-166.3-172.100000112.2E372 C378E372-G376 VanDerWaalsContact CA-O 3.29Å; E372-G376 WeakPolarHBondContact CA-O 3.09Å; E372-G376 WeakPolarHBondContact O-CA 3.47Å; E372-G376 PolarHBondContact O-N 3.32Å; G376-C378 PolarHBondContact O-N 2.96Å
377P71.1Confident72.2Confident80 Ų8061.4 Ų61.452%0.51930%0.303SS..  trans-58.598.2-168.5-22.733000112.6M379 D380P377-M379 PolarHBondContact O-N 2.86Å; P377-D380 PolarHBondContact O-N 2.98Å
378C64.8Low70.8Confident2 Ų263.3 Ų63.31%0.01431%0.313CS..Hα-helixtrans-53.8-33.3177.1-161.10000111.5F371 E372 G376 D380 I381 M382F371-C378 HydrophobicContact CB-CB 4.48Å; F371-C378 HydrophobicContact CD1-CB 3.18Å; F371-C378 WeakPolarHBondContact CD1-SG 3.45Å; F371-C378 HydrophobicContact CE1-CB 3.44Å; F371-C378 VanDerWaalsContact CE1-CB 3.44Å; F371-C378 WeakPolarHBondContact CE1-SG 3.18Å; F371-C378 HydrophobicContact CG-CB 3.91Å; F371-C378 VanDerWaalsContact CG-SG 3.56Å; F371-C378 HydrophobicContact CZ-CB 4.31Å; F371-C378 WeakPolarHBondContact CZ-SG 3.44Å; E372-C378 HydrophobicContact CG-CB 4.34Å; G376-C378 PolarHBondContact O-N 2.96Å; C378-D380 PolarHBondContact O-N 3.03Å; C378-I381 WeakPolarHBondContact O-CB 3.38Å; C378-I381 PolarHBondContact O-N 2.96Å; C378-M382 HydrophobicContact CB-CE 3.99Å; C378-M382 WeakPolarHBondContact O-CG 3.49Å; C378-M382 PolarHBondContact O-N 3Å; C378-M382 WeakPolarHBondContact SG-CE 3.44Å
379M63.9Low69.6Low26 Ų2666.8 Ų66.813%0.12833%0.325CS..Hα-helixtrans-53.4-34.8179-62.5-76-8700112.9L345 V346 P377 M382 K383L345-M379 WeakPolarHBondContact O-CE 3.37Å; L345-M379 VanDerWaalsContact O-SD 3.35Å; V346-M379 VanDerWaalsContact CA-CE 3.41Å; V346-M379 VanDerWaalsContact CA-SD 3.55Å; V346-M379 HydrophobicContact CB-CE 4.44Å; V346-M379 HydrophobicContact CB-SD 4.3Å; V346-M379 HydrophobicContact CG2-SD 3.89Å; V346-M379 WeakPolarHBondContact O-CE 3.45Å; P377-M379 PolarHBondContact O-N 2.86Å; M379-M382 PolarHBondContact O-N 3.04Å; M379-K383 WeakPolarHBondContact O-CB 3.4Å; M379-K383 WeakPolarHBondContact O-CD 3.32Å; M379-K383 WeakPolarHBondContact O-CG 3.14Å; M379-K383 PolarHBondContact O-N 2.85Å
380D68.4Low68.5Low96 Ų9664.6 Ų64.651%0.51332%0.317SS..Hα-helixtrans-74.5-30.4-178.8-66.7-18000111.9P377 C378P377-D380 PolarHBondContact O-N 2.98Å; C378-D380 PolarHBondContact O-N 3.03Å
381I66.5Low67.3Low31 Ų3170.3 Ų70.316%0.15934%0.341CS..Hα-helixtrans-74.1-45.4173.3-58.5175.4000109.4L265 L269 F371 C378 R384L265-I381 HydrophobicContact CD1-CG2 4Å; L265-I381 HydrophobicContact CG-CG2 4.39Å; L265-I381 WeakPolarHBondContact O-CG2 3.46Å; L269-I381 HydrophobicContact CD2-CD1 4.1Å; F371-I381 HydrophobicContact CE1-CD1 4.46Å; F371-I381 HydrophobicContact CZ-CD1 4.3Å; C378-I381 WeakPolarHBondContact O-CB 3.38Å; C378-I381 PolarHBondContact O-N 2.96Å; I381-R384 PolarHBondContact O-N 3.35Å
382M64.4Low65.9Low4 Ų475.8 Ų75.82%0.0237%0.367CS..Hα-helixtrans-66.4-37.9179.2-63.4-167.6-158.300113.3L265 F302 E342 L345 V346 C378 M379 R384 N385 I386L265-M382 HydrophobicContact CD1-CG 4.36Å; F302-M382 HydrophobicContact CD1-CE 3.62Å; F302-M382 HydrophobicContact CE1-CE 3.32Å; F302-M382 HydrophobicContact CG-CE 4.4Å; F302-M382 HydrophobicContact CZ-CE 3.88Å; E342-M382 HydrophobicContact CB-SD 3.77Å; L345-M382 HydrophobicContact CD1-CE 4.31Å; V346-M382 HydrophobicContact CG2-CB 3.91Å; V346-M382 HydrophobicContact CG2-SD 4.13Å; C378-M382 HydrophobicContact CB-CE 3.99Å; C378-M382 WeakPolarHBondContact O-CG 3.49Å; C378-M382 PolarHBondContact O-N 3Å; C378-M382 WeakPolarHBondContact SG-CE 3.44Å; M379-M382 PolarHBondContact O-N 3.04Å; M382-R384 PolarHBondContact O-N 3.22Å; M382-R384 VanDerWaalsContact O-N 3.17Å; M382-N385 PolarHBondContact O-N 3.13Å; M382-I386 PolarHBondContact O-N 3.32Å
383K64.2Low64.6Low100 Ų10074 Ų7444%0.43536%0.36SS..Hα-helixtrans-64-19.1-179-81.7171.6-177.1176.90114V346 M379 N385 I386V346-K383 HydrophobicContact CG1-CG 3.74Å; M379-K383 WeakPolarHBondContact O-CB 3.4Å; M379-K383 WeakPolarHBondContact O-CD 3.32Å; M379-K383 WeakPolarHBondContact O-CG 3.14Å; M379-K383 PolarHBondContact O-N 2.85Å; K383-N385 VanDerWaalsContact C-N 3.26Å; K383-N385 PolarHBondContact O-N 3.47Å; K383-I386 HydrophobicContact CB-CG2 4.32Å; K383-I386 HydrophobicContact CG-CG2 4.37Å; K383-I386 VanDerWaalsContact O-CG2 3.25Å; K383-I386 WeakPolarHBondContact O-CG2 3.42Å; K383-I386 PolarHBondContact O-N 2.69Å
384R64Low63.5Low189 Ų18967.6 Ų67.671%0.71334%0.343SS*.Hα-helixtrans-65.2-30.1179.2-70.6-179.9-178.5177.91.1113.2I381 M382I381-R384 PolarHBondContact O-N 3.35Å; M382-R384 PolarHBondContact O-N 3.22Å; M382-R384 VanDerWaalsContact O-N 3.17Å
385N55.7Low62.2Low64 Ų6468.9 Ų68.934%0.34236%0.362SS..Hα-helixtrans-105.8-5179.2-67.8-28.1000113.2M382 K383 A387M382-N385 PolarHBondContact O-N 3.13Å; K383-N385 VanDerWaalsContact C-N 3.26Å; K383-N385 PolarHBondContact O-N 3.47Å; N385-A387 PolarHBondContact O-N 2.97Å
386I59.2Low60.7Low17 Ų1772.1 Ų72.19%0.08738%0.379CS..Hα-helixtrans-67-33.5-174.1-152.883.5000112.9E342 L343 V346 M382 K383 N388 Y389 E390E342-I386 HydrophobicContact CG-CD1 4.49Å; L343-I386 HydrophobicContact CD1-CD1 4.15Å; V346-I386 HydrophobicContact CB-CD1 3.85Å; V346-I386 HydrophobicContact CB-CG1 4.47Å; V346-I386 HydrophobicContact CG1-CD1 3.88Å; V346-I386 HydrophobicContact CG1-CG1 3.96Å; V346-I386 HydrophobicContact CG2-CD1 3.87Å; M382-I386 PolarHBondContact O-N 3.32Å; K383-I386 HydrophobicContact CB-CG2 4.32Å; K383-I386 HydrophobicContact CG-CG2 4.37Å; K383-I386 VanDerWaalsContact O-CG2 3.25Å; K383-I386 WeakPolarHBondContact O-CG2 3.42Å; K383-I386 PolarHBondContact O-N 2.69Å; I386-N388 PolarHBondContact O-N 3.06Å; I386-Y389 CarbonylContact O-C 3.57Å; I386-Y389 WeakPolarHBondContact O-CA 3.38Å; I386-Y389 WeakPolarHBondContact O-CB 3.29Å; I386-Y389 PolarHBondContact O-N 3.44Å; I386-E390 PolarHBondContact O-N 3.09Å
387A57.8Low59.4Low48 Ų4873.6 Ų73.640%0.39738%0.378SS..Hα-helixtrans-59.9-39-17600000111.4N385 Y389 E391N385-A387 PolarHBondContact O-N 2.97Å; A387-Y389 VanDerWaalsContact C-N 3.3Å; A387-Y389 PolarHBondContact O-N 3.38Å; A387-E391 WeakPolarHBondContact O-CB 3.43Å; A387-E391 VanDerWaalsContact O-CG 3.31Å; A387-E391 WeakPolarHBondContact O-CG 3.3Å; A387-E391 PolarHBondContact O-N 3.27Å
388N58.8Low58.1Low100 Ų10071.5 Ų71.554%0.53537%0.371SS..Hα-helixtrans-67.6-31.7176.5-63.6-11.7000112.1I386 Q392I386-N388 PolarHBondContact O-N 3.06Å; N388-Q392 VanDerWaalsContact O-CG 3.27Å; N388-Q392 WeakPolarHBondContact O-CG 3.39Å; N388-Q392 PolarHBondContact O-N 3.01Å; N388-Q392 VanDerWaalsContact O-N 3.16Å
389Y57.9Low57Low88 Ų8875 Ų7535%0.34540%0.396SS..Hα-helixtrans-78.5-42.9178.2-89.7-82.6000112.4I386 A387 E391 Q392 L393I386-Y389 CarbonylContact O-C 3.57Å; I386-Y389 WeakPolarHBondContact O-CA 3.38Å; I386-Y389 WeakPolarHBondContact O-CB 3.29Å; I386-Y389 PolarHBondContact O-N 3.44Å; A387-Y389 VanDerWaalsContact C-N 3.3Å; A387-Y389 PolarHBondContact O-N 3.38Å; Y389-E391 VanDerWaalsContact C-N 3.31Å; Y389-E391 PolarHBondContact O-N 3.27Å; Y389-Q392 PolarHBondContact O-N 3.25Å; Y389-L393 WeakPolarHBondContact O-CB 3.2Å; Y389-L393 WeakPolarHBondContact O-CG 3.36Å; Y389-L393 PolarHBondContact O-N 3.26Å
390E59.7Low56Low98 Ų9877.1 Ų77.146%0.45841%0.413SS..Hα-helixtrans-60.3-43.1172.8-80.1-170160.200110.7I386 Q392 L393 V394I386-E390 PolarHBondContact O-N 3.09Å; E390-Q392 VanDerWaalsContact C-N 3.34Å; E390-Q392 PolarHBondContact O-N 3.11Å; E390-L393 PolarHBondContact O-N 3.44Å; E390-V394 VanDerWaalsContact O-CB 3.26Å; E390-V394 WeakPolarHBondContact O-CB 3.49Å; E390-V394 WeakPolarHBondContact O-CG2 3.5Å; E390-V394 PolarHBondContact O-N 3.17Å
391E59.6Low54.7Low136 Ų13675 Ų7564%0.63641%0.41SS*.Hα-helixtrans-60.6-41.8174.6-78-179.4-176.100112.2A387 Y389 A395A387-E391 WeakPolarHBondContact O-CB 3.43Å; A387-E391 VanDerWaalsContact O-CG 3.31Å; A387-E391 WeakPolarHBondContact O-CG 3.3Å; A387-E391 PolarHBondContact O-N 3.27Å; Y389-E391 VanDerWaalsContact C-N 3.31Å; Y389-E391 PolarHBondContact O-N 3.27Å; E391-A395 WeakPolarHBondContact O-CB 3.35Å; E391-A395 PolarHBondContact O-N 3.3Å
392Q50Low53.3Low115 Ų11579.8 Ų79.854%0.53743%0.431SS..Hα-helixtrans-67.6-40.9176.5-77.4177.32.200112.7N388 Y389 E390 A395 L396N388-Q392 VanDerWaalsContact O-CG 3.27Å; N388-Q392 WeakPolarHBondContact O-CG 3.39Å; N388-Q392 PolarHBondContact O-N 3.01Å; N388-Q392 VanDerWaalsContact O-N 3.16Å; Y389-Q392 PolarHBondContact O-N 3.25Å; E390-Q392 VanDerWaalsContact C-N 3.34Å; E390-Q392 PolarHBondContact O-N 3.11Å; Q392-A395 PolarHBondContact O-N 3.21Å; Q392-L396 VanDerWaalsContact O-CB 3.28Å; Q392-L396 WeakPolarHBondContact O-CB 3.47Å; Q392-L396 WeakPolarHBondContact O-CD1 3.29Å; Q392-L396 VanDerWaalsContact O-CG 3.32Å; Q392-L396 WeakPolarHBondContact O-CG 3.46Å; Q392-L396 PolarHBondContact O-N 3.49Å
393L54.1Low52.2Low44 Ų4484.2 Ų84.223%0.2345%0.454CS..Hα-helixtrans-67.3-43.9177.3-74.7164.1000111.7L343 Y389 E390 A395 L396 F397L343-L393 HydrophobicContact CD1-CD1 4.22Å; L343-L393 HydrophobicContact CD2-CD1 3.44Å; L343-L393 VanDerWaalsContact CD2-CD1 3.44Å; L343-L393 HydrophobicContact CG-CD1 4.47Å; Y389-L393 WeakPolarHBondContact O-CB 3.2Å; Y389-L393 WeakPolarHBondContact O-CG 3.36Å; Y389-L393 PolarHBondContact O-N 3.26Å; E390-L393 PolarHBondContact O-N 3.44Å; L393-A395 VanDerWaalsContact C-N 3.34Å; L393-L396 PolarHBondContact O-N 3.1Å; L393-F397 WeakPolarHBondContact O-CD2 3.42Å; L393-F397 PolarHBondContact O-N 3.03Å
394V61.3Low50.9Low64 Ų6485.7 Ų85.739%0.38846%0.462SS..Hα-helixtrans-66.8-37175.1173.20000110.8E390 G398E390-V394 VanDerWaalsContact O-CB 3.26Å; E390-V394 WeakPolarHBondContact O-CB 3.49Å; E390-V394 WeakPolarHBondContact O-CG2 3.5Å; E390-V394 PolarHBondContact O-N 3.17Å; V394-G398 WeakPolarHBondContact O-CA 3.16Å; V394-G398 PolarHBondContact O-N 3.37Å
395A53.6Low49.5Very low87 Ų8783.9 Ų83.972%0.71946%0.462SS*.Hα-helixtrans-69.9-35.3176.100000113.1E391 Q392 L393E391-A395 WeakPolarHBondContact O-CB 3.35Å; E391-A395 PolarHBondContact O-N 3.3Å; Q392-A395 PolarHBondContact O-N 3.21Å; L393-A395 VanDerWaalsContact C-N 3.34Å
396L43.5Very low48.7Very low101 Ų10185.7 Ų85.753%0.52947%0.468SS..Hα-helixtrans-76.6-27.8177.7-80.3158.6000112.9Q392 L393Q392-L396 VanDerWaalsContact O-CB 3.28Å; Q392-L396 WeakPolarHBondContact O-CB 3.47Å; Q392-L396 WeakPolarHBondContact O-CD1 3.29Å; Q392-L396 VanDerWaalsContact O-CG 3.32Å; Q392-L396 WeakPolarHBondContact O-CG 3.46Å; Q392-L396 PolarHBondContact O-N 3.49Å; L393-L396 PolarHBondContact O-N 3.1Å
397F48.6Very low47.3Very low55 Ų5589.7 Ų89.724%0.24150%0.498CS..Hα-helixtrans-137.31.4-166.2-58-76.8000116.7I331 L393I331-F397 HydrophobicContact CD1-CE2 4.09Å; I331-F397 HydrophobicContact CD1-CZ 4.16Å; I331-F397 HydrophobicContact CG1-CE2 4.26Å; I331-F397 HydrophobicContact CG1-CZ 4.04Å; L393-F397 WeakPolarHBondContact O-CD2 3.42Å; L393-F397 PolarHBondContact O-N 3.03Å
398G44.9Very low46Very low36 Ų3695.3 Ų95.337%0.37154%0.544SS..  trans87.8179.6177.800000114.4V394V394-G398 WeakPolarHBondContact O-CA 3.16Å; V394-G398 PolarHBondContact O-N 3.37Å
399S40.2Very low45.3Very low76 Ų7695.1 Ų95.153%0.53154%0.544SS..  trans-63.7152.7-166.3690000113.8A401 E402S399-A401 PolarHBondContact O-N 3.49Å; S399-E402 PolarHBondContact O-N 3.47Å
400S43.7Very low44.7Very low71 Ų7195.4 Ų95.450%0.49756%0.555SS.*THydrogen-bonded Turntrans-51.6-8.9-179.7-52.50000116.4
401A40.8Very low43.8Very low52 Ų5295.3 Ų95.343%0.4356%0.56SS.*THydrogen-bonded Turntrans-76.7-23179.300000113.9S399S399-A401 PolarHBondContact O-N 3.49Å
402E38.2Very low42.9Very low131 Ų13192.9 Ų92.961%0.61256%0.556SS**THydrogen-bonded Turntrans-82.9-21.7179-68.1-174.7172.900112.6S399 E404S399-E402 PolarHBondContact O-N 3.47Å; E402-E404 VanDerWaalsContact C-N 3.35Å
403I40.8Very low42.5Very low97 Ų9791.5 Ų91.550%0.49756%0.557SS.*THydrogen-bonded Turntrans-76-24.9173.8-60.2173.4000111.1
404E37.4Very low41.7Very low130 Ų13094.7 Ų94.761%0.60758%0.579SS**G310 helixtrans-77.4-17.7-178.5-76.8-179.8163.700114.4E402E402-E404 VanDerWaalsContact C-N 3.35Å
405Q33.6Very low40.3Very low152 Ų15296.9 Ų96.971%0.7159%0.592SS**G310 helixtrans-90.7-0.5-175.1-74.7-172.1-1.100114.9
406Q39.1Very low39.3Very low102 Ų10297.6 Ų97.648%0.47758%0.583SS.*G310 helixtrans-1064.9-176.9-69.2-179.98.900114.4S317S317-Q406 VanDerWaalsContact CB-NE2 3.27Å; S317-Q406 PolarHBondContact O-NE2 2.8Å; S317-Q406 PolarHBondContact OG-NE2 2.74Å
407S30.2Very low38.9Very low101 Ų10197.3 Ų97.371%0.70659%0.587SS**  trans-111.429.8179.746.80000113.9
408A29.6Very low38Very low165 Ų165101.2 Ų101.2100%1.36462%0.618SS**  trans-113.70173.600000111.7

Retrieved 408 of 408 residues in 79.9 ms (Link to these results)

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