A0A077ZIV2_TRITR Loading...

Helicase C and ResIII domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIV2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 542 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
1M50.2Low82Confident194 Ų19491.5 Ų91.596%0.95646%0.461SS*.  0144.90-68.6165.587.700106.4
2A61.8Low82.9Confident61 Ų6185.8 Ų85.850%0.50444%0.442SS..BIsolated β-bridgetrans-75.8134.117500000108.8F7A2-F7 CarbonylContact C-O 3.53Å; A2-F7 VanDerWaalsContact CA-O 3.24Å; A2-F7 WeakPolarHBondContact CA-O 3.32Å
3T76.3Confident83.7Confident50 Ų5095.5 Ų95.531%0.30747%0.469SS..  trans-66.7171.1172.768.90000110.7D5 G6 F7 E9T3-D5 PolarHBondContact O-N 2.74Å; T3-D5 VanDerWaalsContact O-N 3.16Å; T3-G6 WeakPolarHBondContact O-CA 3.17Å; T3-G6 PolarHBondContact O-N 3.15Å; T3-F7 HydrophobicContact CG2-CB 4.19Å; T3-F7 HydrophobicContact CG2-CD1 4.33Å; T3-F7 PolarHBondContact N-O 3.07Å; T3-F7 VanDerWaalsContact OG1-CB 3.3Å; T3-F7 WeakPolarHBondContact OG1-CB 3.44Å; T3-F7 PolarHBondContact OG1-N 3.06Å; T3-E9 HydrophobicContact CG2-CG 3.95Å
4E75Confident84.6Confident200 Ų20094 Ų9494%0.93547%0.469SS*.THydrogen-bonded Turntrans-53.6-34.4175.6-166.5178.1-175.600112.7G6E4-G6 PolarHBondContact O-N 2.86Å
5D80.3Confident85.3Confident67 Ų6793 Ų9336%0.35846%0.457SS..THydrogen-bonded Turntrans-80.81.7177-70.5-42.5000113.9T3 K141 K170T3-D5 PolarHBondContact O-N 2.74Å; T3-D5 VanDerWaalsContact O-N 3.16Å; D5-K141 WeakPolarHBondContact O-CE 3.12Å; D5-K141 PolarHBondContact O-NZ 3.04Å; D5-K170 IonicContact OD1-NZ 4Å; D5-K170 PolarHBondContact OD1-NZ 3.47Å; D5-K170 WeakPolarHBondContact OD2-CD 3.46Å; D5-K170 IonicContact OD2-NZ 3.59Å; D5-K170 PolarHBondContact OD2-NZ 3.05Å
6G88.7Confident85.8Confident17 Ų1791 Ų9118%0.17545%0.448CS..  trans81.320.5-179.400000114.9T3 E4T3-G6 WeakPolarHBondContact O-CA 3.17Å; T3-G6 PolarHBondContact O-N 3.15Å; E4-G6 PolarHBondContact O-N 2.86Å
7F93.6Very high86.2Confident51 Ų5187.5 Ų87.522%0.22443%0.429CS..  trans-82.9124.5177.8-178.7-102.7000111A2 T3 E9 W63 Y64A2-F7 CarbonylContact C-O 3.53Å; A2-F7 VanDerWaalsContact CA-O 3.24Å; A2-F7 WeakPolarHBondContact CA-O 3.32Å; T3-F7 HydrophobicContact CG2-CB 4.19Å; T3-F7 HydrophobicContact CG2-CD1 4.33Å; T3-F7 PolarHBondContact N-O 3.07Å; T3-F7 VanDerWaalsContact OG1-CB 3.3Å; T3-F7 WeakPolarHBondContact OG1-CB 3.44Å; T3-F7 PolarHBondContact OG1-N 3.06Å; F7-E9 HydrophobicContact CD1-CG 4.38Å; F7-E9 PolarHBondContact O-N 3.13Å; F7-W63 CarbonylContact C-O 3.57Å; F7-W63 WeakPolarHBondContact CA-O 3.37Å; F7-W63 HydrophobicContact CD2-CB 3.89Å; F7-W63 HydrophobicContact CE2-CB 3.66Å; F7-W63 HydrophobicContact CE2-CD2 4.29Å; F7-W63 AromaticContact CE2-CG 3.95Å; F7-W63 HydrophobicContact CE2-CG 3.95Å; F7-Y64 HydrophobicContact CB-CD1 4.22Å; F7-Y64 HydrophobicContact CB-CE1 3.73Å; F7-Y64 HydrophobicContact CD2-CD2 4.47Å; F7-Y64 AromaticContact CD2-CE1 3.96Å; F7-Y64 HydrophobicContact CD2-CE1 3.96Å; F7-Y64 AromaticContact CD2-CE2 3.89Å; F7-Y64 HydrophobicContact CD2-CE2 3.89Å; F7-Y64 AromaticContact CD2-CZ 3.61Å; F7-Y64 HydrophobicContact CE2-CE2 4.47Å; F7-Y64 HydrophobicContact CG-CE1 4.35Å
8D95.2Very high86.4Confident49 Ų4983.3 Ų83.326%0.26241%0.41SS..BIsolated β-bridgetrans-80.2103.4172.4-178.6-14000110.1R10 A11 G12 W63 P65D8-R10 PolarHBondContact O-N 2.84Å; D8-R10 WeakPolarHBondContact OD1-CB 3.43Å; D8-R10 PolarHBondContact OD1-N 3.05Å; D8-A11 HydrophobicContact CB-CB 3.95Å; D8-A11 PolarHBondContact O-N 3.23Å; D8-A11 PolarHBondContact OD1-N 3.06Å; D8-G12 PolarHBondContact O-N 3.36Å; D8-W63 PolarHBondContact N-O 2.95Å; D8-P65 HydrophobicContact CB-CG 3.99Å
9E93.1Very high86.4Confident99 Ų9985.9 Ų85.946%0.46343%0.431SS..Hα-helixtrans-57.4-33.1179.6-64.9-178.2158.600113.8T3 F7 G12 R13T3-E9 HydrophobicContact CG2-CG 3.95Å; F7-E9 HydrophobicContact CD1-CG 4.38Å; F7-E9 PolarHBondContact O-N 3.13Å; E9-G12 PolarHBondContact O-N 2.91Å; E9-R13 WeakPolarHBondContact O-CG 2.95Å; E9-R13 PolarHBondContact O-N 3.38Å
10R93.7Very high86.2Confident206 Ų20686 Ų8678%0.77744%0.44SS*.Hα-helixtrans-70.9-44.8179.9-175.5-178.4178.7-178.60.5109.9D8 G12D8-R10 PolarHBondContact O-N 2.84Å; D8-R10 WeakPolarHBondContact OD1-CB 3.43Å; D8-R10 PolarHBondContact OD1-N 3.05Å; R10-G12 VanDerWaalsContact C-N 3.3Å
11A93.5Very high86Confident13 Ų1383.9 Ų83.911%0.10743%0.431CS..Hα-helixtrans-64.9-38.3174.600000111.2D8 R13 T14 W63D8-A11 HydrophobicContact CB-CB 3.95Å; D8-A11 PolarHBondContact O-N 3.23Å; D8-A11 PolarHBondContact OD1-N 3.06Å; A11-R13 VanDerWaalsContact C-N 3.27Å; A11-R13 PolarHBondContact O-N 3.35Å; A11-T14 PolarHBondContact O-N 3.28Å; A11-W63 VanDerWaalsContact C-CD1 3.45Å; A11-W63 PolarHBondContact O-NE1 3.4Å; A11-W63 VanDerWaalsContact O-NE1 3.11Å
12G92.9Very high87.7Confident23 Ų2380 Ų8024%0.23742%0.42CS..Hα-helixtrans-62.8-21.5-178.300000116.1D8 E9 R10 T14D8-G12 PolarHBondContact O-N 3.36Å; E9-G12 PolarHBondContact O-N 2.91Å; R10-G12 VanDerWaalsContact C-N 3.3Å; G12-T14 PolarHBondContact O-N 3.32Å
13R94.1Very high88.9Confident211 Ų21181.9 Ų81.980%0.79642%0.421SS*.THydrogen-bonded Turntrans-65.6-18.4175.9-72.8174.6-172.7-168.10.5113.8E9 A11E9-R13 WeakPolarHBondContact O-CG 2.95Å; E9-R13 PolarHBondContact O-N 3.38Å; A11-R13 VanDerWaalsContact C-N 3.27Å; A11-R13 PolarHBondContact O-N 3.35Å
14T95.5Very high89.5Confident75 Ų7582.9 Ų82.946%0.4642%0.419SS..  trans-138.8147.3-175.757.50000110.8A11 G12 R62 W63A11-T14 PolarHBondContact O-N 3.28Å; G12-T14 PolarHBondContact O-N 3.32Å; T14-R62 PolarHBondContact O-NH1 3.32Å; T14-W63 PolarHBondContact O-NE1 3.48Å
15W95.1Very high90.3Very high79 Ų7979.7 Ų79.730%0.29940%0.402SS..  trans-113151.2165.169.6-78.1000109.5Y17 L28 E32 L35 V55 N59 W63W15-Y17 HydrophobicContact CH2-CD2 4.15Å; W15-Y17 AromaticContact CZ3-CD2 3.76Å; W15-Y17 HydrophobicContact CZ3-CD2 3.76Å; W15-Y17 HydrophobicContact CZ3-CG 4.4Å; W15-L28 HydrophobicContact CH2-CD1 3.45Å; W15-L28 VanDerWaalsContact CH2-CD1 3.45Å; W15-L28 HydrophobicContact CH2-CG 4.2Å; W15-L28 HydrophobicContact CZ2-CD1 4.07Å; W15-L28 HydrophobicContact CZ3-CD1 4.33Å; W15-E32 HydrophobicContact CH2-CB 4.27Å; W15-E32 HydrophobicContact CZ2-CB 4.13Å; W15-E32 HydrophobicContact CZ2-CG 4.42Å; W15-L35 HydrophobicContact CB-CD1 3.78Å; W15-L35 HydrophobicContact CD2-CD1 3.71Å; W15-L35 HydrophobicContact CE3-CD1 3.67Å; W15-L35 HydrophobicContact CG-CD1 3.79Å; W15-L35 HydrophobicContact CZ3-CD1 4.3Å; W15-V55 HydrophobicContact CE3-CG1 4.15Å; W15-V55 HydrophobicContact CZ3-CG1 3.86Å; W15-N59 WeakPolarHBondContact CA-OD1 3.47Å; W15-W63 HydrophobicContact CB-CH2 4.2Å; W15-W63 HydrophobicContact CB-CZ2 3.67Å
16I93.3Very high90.8Very high61 Ų6176.5 Ų76.531%0.31339%0.385SS..  trans-110.6133.6-177.1-65.5-178000109.1Y58 N59 R62I16-Y58 HydrophobicContact CB-CD1 4.2Å; I16-Y58 HydrophobicContact CB-CE1 3.86Å; I16-Y58 HydrophobicContact CD1-CE1 3.99Å; I16-Y58 HydrophobicContact CG1-CE1 4.46Å; I16-Y58 HydrophobicContact CG2-CD1 4.32Å; I16-Y58 HydrophobicContact CG2-CE1 3.81Å; I16-N59 PolarHBondContact N-OD1 2.96Å; I16-N59 PolarHBondContact O-ND2 3.29Å; I16-R62 VanDerWaalsContact CD1-CZ 3.43Å
17Y92.9Very high91.1Very high32 Ų3275.9 Ų75.913%0.12538%0.378CS..  trans-119135169.5-165.5-84.5000108.9W15 I23 L28 L51 V55W15-Y17 HydrophobicContact CH2-CD2 4.15Å; W15-Y17 AromaticContact CZ3-CD2 3.76Å; W15-Y17 HydrophobicContact CZ3-CD2 3.76Å; W15-Y17 HydrophobicContact CZ3-CG 4.4Å; Y17-I23 HydrophobicContact CD1-CG1 4.41Å; Y17-I23 HydrophobicContact CE1-CG1 4.13Å; Y17-I23 HydrophobicContact CE1-CG2 4.4Å; Y17-L28 HydrophobicContact CD1-CD1 4.4Å; Y17-L28 HydrophobicContact CD2-CD1 3.66Å; Y17-L28 HydrophobicContact CE2-CD1 4Å; Y17-L28 HydrophobicContact CG-CD1 3.87Å; Y17-L51 WeakPolarHBondContact OH-CD2 3.17Å; Y17-V55 HydrophobicContact CD2-CB 4.49Å; Y17-V55 HydrophobicContact CD2-CG1 3.91Å; Y17-V55 HydrophobicContact CD2-CG2 3.77Å; Y17-V55 HydrophobicContact CE2-CG1 4.44Å; Y17-V55 HydrophobicContact CE2-CG2 3.82Å; Y17-V55 HydrophobicContact CG-CG2 4.46Å
18P89.7Confident91.1Very high12 Ų1276.2 Ų76.28%0.07838%0.381CS..  trans-68.6138.6-177.228.2-35.1000111.9V21 L51 V55 V89 M90P18-V21 HydrophobicContact CG-CG2 4.17Å; P18-L51 HydrophobicContact CG-CD1 3.74Å; P18-V55 HydrophobicContact CG-CG2 4.2Å; P18-V89 HydrophobicContact CG-CG1 4.17Å; P18-M90 HydrophobicContact CB-SD 4.24Å; P18-M90 HydrophobicContact CG-SD 4.16Å
19T85.7Confident91.1Very high132 Ų13276.6 Ų76.681%0.8138%0.382SS*.SBendtrans-96.9-4.6174.553.20000113.2V21T19-V21 PolarHBondContact O-N 2.66Å
20S83.2Confident91.2Very high88 Ų8871.9 Ų71.962%0.61536%0.36SS*.SBendtrans-71.7-12.2178.554.40000113.9
21V83Confident91.3Very high41 Ų4162.1 Ų62.125%0.24832%0.323CS..SBendtrans-124.7145.3179.8-65.40000110.2P18 T19 I23 L51P18-V21 HydrophobicContact CG-CG2 4.17Å; T19-V21 PolarHBondContact O-N 2.66Å; V21-I23 PolarHBondContact O-N 3.41Å; V21-L51 HydrophobicContact CG2-CD1 3.91Å; V21-L51 HydrophobicContact CG2-CD2 3.8Å
22P84.8Confident91.5Very high113 Ų11365.5 Ų65.573%0.73434%0.336SS*.  trans-57.6124.4176.9-24.833.9000111.5R24P22-R24 PolarHBondContact O-N 3.22Å
23I86.3Confident91.7Very high101 Ų10168.6 Ų68.652%0.51834%0.343SS..  trans-70.7123.2-178.1-57.6175.5000109.1Y17 V21Y17-I23 HydrophobicContact CD1-CG1 4.41Å; Y17-I23 HydrophobicContact CE1-CG1 4.13Å; Y17-I23 HydrophobicContact CE1-CG2 4.4Å; V21-I23 PolarHBondContact O-N 3.41Å
24R90.1Very high91.8Very high70 Ų7058.6 Ų58.626%0.26431%0.306SS..  trans-107.2125.3170.2-50.3-178.8-177.1174.4-4.7108.7P22 Y26 Q27 L28 Y212P22-R24 PolarHBondContact O-N 3.22Å; R24-Y26 VanDerWaalsContact C-N 3.32Å; R24-Y26 HydrophobicContact CB-CD1 3.87Å; R24-Y26 HydrophobicContact CB-CE1 3.5Å; R24-Y26 VanDerWaalsContact CB-CE1 3.5Å; R24-Y26 VanDerWaalsContact CD-OH 3.29Å; R24-Y26 WeakPolarHBondContact CD-OH 3.36Å; R24-Y26 HydrophobicContact CG-CE1 4.17Å; R24-Y26 PolarHBondContact NH1-OH 3.47Å; R24-Y26 VanDerWaalsContact NH1-OH 3.07Å; R24-Y26 PolarHBondContact O-N 3.49Å; R24-Q27 HydrophobicContact CB-CB 4.46Å; R24-Q27 HydrophobicContact CB-CG 4.04Å; R24-Q27 WeakPolarHBondContact O-CB 3.31Å; R24-Q27 PolarHBondContact O-N 3.43Å; R24-L28 PolarHBondContact O-N 3.42Å; R24-Y212 HydrophobicContact CB-CE2 4.23Å; R24-Y212 HydrophobicContact CG-CE1 4.03Å; R24-Y212 HydrophobicContact CG-CE2 4.26Å
25K91Very high91.9Very high133 Ų13355.4 Ų55.458%0.57829%0.286SS*.Hα-helixtrans-50.1-48.2-174.2-174.4176.8171.2-1800113.1Q27 L28 E29K25-Q27 VanDerWaalsContact C-N 3.28Å; K25-Q27 PolarHBondContact O-N 3.27Å; K25-L28 WeakPolarHBondContact O-CB 3.42Å; K25-L28 PolarHBondContact O-N 2.92Å; K25-L28 VanDerWaalsContact O-N 3.15Å; K25-E29 WeakPolarHBondContact CE-OE1 3.38Å; K25-E29 HydrophobicContact CG-CG 4.47Å; K25-E29 IonicContact NZ-OE1 3.09Å; K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 3.03Å
26Y91.8Very high91.9Very high1 Ų157.8 Ų57.80%0.00430%0.298CS..Hα-helixtrans-60.6-35179.173.7-90.4000112.9R24 I30 L43 L47 I209 Y212R24-Y26 VanDerWaalsContact C-N 3.32Å; R24-Y26 HydrophobicContact CB-CD1 3.87Å; R24-Y26 HydrophobicContact CB-CE1 3.5Å; R24-Y26 VanDerWaalsContact CB-CE1 3.5Å; R24-Y26 VanDerWaalsContact CD-OH 3.29Å; R24-Y26 WeakPolarHBondContact CD-OH 3.36Å; R24-Y26 HydrophobicContact CG-CE1 4.17Å; R24-Y26 PolarHBondContact NH1-OH 3.47Å; R24-Y26 VanDerWaalsContact NH1-OH 3.07Å; R24-Y26 PolarHBondContact O-N 3.49Å; Y26-I30 HydrophobicContact CD2-CD1 4.06Å; Y26-I30 WeakPolarHBondContact O-CB 3.48Å; Y26-I30 VanDerWaalsContact O-CD1 3.28Å; Y26-I30 WeakPolarHBondContact O-CD1 3.48Å; Y26-I30 WeakPolarHBondContact O-CG1 3.18Å; Y26-I30 PolarHBondContact O-N 3.2Å; Y26-L43 HydrophobicContact CD2-CD1 4.45Å; Y26-L43 HydrophobicContact CD2-CD2 4.32Å; Y26-L43 HydrophobicContact CE2-CD1 4.07Å; Y26-L43 HydrophobicContact CE2-CD2 4.33Å; Y26-L47 HydrophobicContact CE2-CB 4.5Å; Y26-L47 PolarHBondContact OH-O 2.82Å; Y26-I209 HydrophobicContact CD1-CG2 3.8Å; Y26-I209 HydrophobicContact CD2-CG2 4.02Å; Y26-I209 HydrophobicContact CE1-CG2 3.95Å; Y26-I209 HydrophobicContact CE2-CG2 4.16Å; Y26-I209 HydrophobicContact CG-CG2 3.86Å; Y26-Y212 HydrophobicContact CD1-CD2 4.36Å; Y26-Y212 AromaticContact CD1-CE2 3.98Å; Y26-Y212 HydrophobicContact CD1-CE2 3.98Å; Y26-Y212 AromaticContact CE1-CD2 3.62Å; Y26-Y212 HydrophobicContact CE1-CD2 3.62Å; Y26-Y212 AromaticContact CE1-CE2 3.51Å; Y26-Y212 HydrophobicContact CE1-CE2 3.51Å
27Q93.7Very high92.1Very high4 Ų459.2 Ų59.22%0.01930%0.303CS..Hα-helixtrans-70.6-39.9178.5-63.2175.4-41.600111R24 K25 S31 L47 I52R24-Q27 HydrophobicContact CB-CB 4.46Å; R24-Q27 HydrophobicContact CB-CG 4.04Å; R24-Q27 WeakPolarHBondContact O-CB 3.31Å; R24-Q27 PolarHBondContact O-N 3.43Å; K25-Q27 VanDerWaalsContact C-N 3.28Å; K25-Q27 PolarHBondContact O-N 3.27Å; Q27-S31 VanDerWaalsContact O-CB 3.24Å; Q27-S31 WeakPolarHBondContact O-CB 3.44Å; Q27-S31 PolarHBondContact O-N 3.04Å; Q27-S31 PolarHBondContact O-OG 3.19Å; Q27-S31 VanDerWaalsContact O-OG 3.08Å; Q27-L47 PolarHBondContact NE2-O 3.35Å; Q27-I52 HydrophobicContact CB-CG1 4.27Å; Q27-I52 HydrophobicContact CG-CD1 4.47Å
28L94Very high92.4Very high57 Ų5758.8 Ų58.830%0.29830%0.302SS..Hα-helixtrans-61.7-49.9176.7-17574.2000110.8W15 Y17 R24 K25 S31 E32W15-L28 HydrophobicContact CH2-CD1 3.45Å; W15-L28 VanDerWaalsContact CH2-CD1 3.45Å; W15-L28 HydrophobicContact CH2-CG 4.2Å; W15-L28 HydrophobicContact CZ2-CD1 4.07Å; W15-L28 HydrophobicContact CZ3-CD1 4.33Å; Y17-L28 HydrophobicContact CD1-CD1 4.4Å; Y17-L28 HydrophobicContact CD2-CD1 3.66Å; Y17-L28 HydrophobicContact CE2-CD1 4Å; Y17-L28 HydrophobicContact CG-CD1 3.87Å; R24-L28 PolarHBondContact O-N 3.42Å; K25-L28 WeakPolarHBondContact O-CB 3.42Å; K25-L28 PolarHBondContact O-N 2.92Å; K25-L28 VanDerWaalsContact O-N 3.15Å; L28-S31 PolarHBondContact O-N 3.26Å; L28-E32 WeakPolarHBondContact O-CB 3.34Å; L28-E32 PolarHBondContact O-N 3.48Å
29E94.8Very high92.8Very high58 Ų5858.2 Ų58.227%0.27130%0.299SS..Hα-helixtrans-62.5-46.6179.8-70.4169.9166.600112K25 S31 E32 K33 R202K25-E29 WeakPolarHBondContact CE-OE1 3.38Å; K25-E29 HydrophobicContact CG-CG 4.47Å; K25-E29 IonicContact NZ-OE1 3.09Å; K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 3.03Å; E29-S31 VanDerWaalsContact C-N 3.33Å; E29-S31 PolarHBondContact O-N 3.42Å; E29-E32 PolarHBondContact O-N 3.38Å; E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 2.95Å; E29-R202 IonicContact OE2-NH2 3.09Å
30I96.2Very high93.3Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-61-45.4176.3-67.8164.4000110.4Y26 E32 K33 A34 V41 L43 I52 E200Y26-I30 HydrophobicContact CD2-CD1 4.06Å; Y26-I30 WeakPolarHBondContact O-CB 3.48Å; Y26-I30 VanDerWaalsContact O-CD1 3.28Å; Y26-I30 WeakPolarHBondContact O-CD1 3.48Å; Y26-I30 WeakPolarHBondContact O-CG1 3.18Å; Y26-I30 PolarHBondContact O-N 3.2Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 PolarHBondContact O-N 3.19Å; I30-K33 PolarHBondContact O-N 2.71Å; I30-A34 WeakPolarHBondContact O-CB 3.3Å; I30-A34 PolarHBondContact O-N 2.91Å; I30-V41 HydrophobicContact CD1-CG1 4.33Å; I30-V41 HydrophobicContact CG2-CB 4.36Å; I30-V41 HydrophobicContact CG2-CG1 3.96Å; I30-V41 HydrophobicContact CG2-CG2 3.44Å; I30-V41 VanDerWaalsContact CG2-CG2 3.44Å; I30-L43 HydrophobicContact CD1-CD1 3.96Å; I30-L43 HydrophobicContact CD1-CD2 4.11Å; I30-L43 HydrophobicContact CD1-CG 4.3Å; I30-I52 HydrophobicContact CB-CD1 4.13Å; I30-I52 HydrophobicContact CD1-CD1 4.02Å; I30-I52 HydrophobicContact CG2-CD1 3.85Å; I30-I52 HydrophobicContact CG2-CG1 4.41Å; I30-I52 HydrophobicContact CG2-CG2 3.84Å; I30-E200 HydrophobicContact CB-CG 4.47Å; I30-E200 HydrophobicContact CG1-CB 4.04Å; I30-E200 HydrophobicContact CG1-CG 3.97Å; I30-E200 HydrophobicContact CG2-CB 4.33Å; I30-E200 HydrophobicContact CG2-CG 4.23Å
31S96.5Very high94Very high0 Ų047.8 Ų47.80%023%0.231CC..Hα-helixtrans-59.1-45.2177.7-77.60000111.2Q27 L28 E29 A34 L35Q27-S31 VanDerWaalsContact O-CB 3.24Å; Q27-S31 WeakPolarHBondContact O-CB 3.44Å; Q27-S31 PolarHBondContact O-N 3.04Å; Q27-S31 PolarHBondContact O-OG 3.19Å; Q27-S31 VanDerWaalsContact O-OG 3.08Å; L28-S31 PolarHBondContact O-N 3.26Å; E29-S31 VanDerWaalsContact C-N 3.33Å; E29-S31 PolarHBondContact O-N 3.42Å; S31-A34 PolarHBondContact O-N 3.22Å; S31-L35 WeakPolarHBondContact O-CG 3.29Å; S31-L35 PolarHBondContact O-N 3.43Å
32E96.3Very high94.5Very high84 Ų8446 Ų4639%0.39322%0.221SC..Hα-helixtrans-58.2-52.4177.2-175.3-179.1-173.300111.4W15 L28 E29 I30 A34 L35 F36W15-E32 HydrophobicContact CH2-CB 4.27Å; W15-E32 HydrophobicContact CZ2-CB 4.13Å; W15-E32 HydrophobicContact CZ2-CG 4.42Å; L28-E32 WeakPolarHBondContact O-CB 3.34Å; L28-E32 PolarHBondContact O-N 3.48Å; E29-E32 PolarHBondContact O-N 3.38Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 PolarHBondContact O-N 3.19Å; E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.41Å; E32-L35 WeakPolarHBondContact O-CB 3.44Å; E32-L35 PolarHBondContact O-N 2.96Å; E32-L35 VanDerWaalsContact O-N 3.13Å; E32-F36 HydrophobicContact CG-CE2 4.39Å; E32-F36 VanDerWaalsContact O-CD2 3.26Å; E32-F36 WeakPolarHBondContact O-CD2 3.25Å
33K96.9Very high94.7Very high89 Ų8940.7 Ų40.739%0.38719%0.186SC..Hα-helixtrans-60-40.4178.1-64-63.2-179.5-1750112.3E29 I30 L35 F36 F37E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 2.95Å; I30-K33 PolarHBondContact O-N 2.71Å; K33-L35 PolarHBondContact O-N 3.03Å; K33-F36 PolarHBondContact O-N 3.39Å; K33-F37 PolarHBondContact O-N 3.37Å
34A97.6Very high94.5Very high1 Ų136.4 Ų36.41%0.00817%0.165CC..Hα-helixtrans-66.2-18.7179.100000114.2I30 S31 E32 T39 V56 R172 L174I30-A34 WeakPolarHBondContact O-CB 3.3Å; I30-A34 PolarHBondContact O-N 2.91Å; S31-A34 PolarHBondContact O-N 3.22Å; E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.41Å; A34-T39 WeakPolarHBondContact CA-OG1 3.5Å; A34-V56 HydrophobicContact CB-CG2 3.72Å; A34-R172 VanDerWaalsContact O-CD 3.31Å; A34-R172 WeakPolarHBondContact O-CD 3.36Å; A34-L174 HydrophobicContact CB-CD1 3.91Å
35L97.2Very high93.9Very high7 Ų734.1 Ų34.14%0.03716%0.159CC..Hα-helixtrans-72.5-35.4171.6-63.7167.3000111W15 S31 E32 K33 V56 N59 F60 W63 R172W15-L35 HydrophobicContact CB-CD1 3.78Å; W15-L35 HydrophobicContact CD2-CD1 3.71Å; W15-L35 HydrophobicContact CE3-CD1 3.67Å; W15-L35 HydrophobicContact CG-CD1 3.79Å; W15-L35 HydrophobicContact CZ3-CD1 4.3Å; S31-L35 WeakPolarHBondContact O-CG 3.29Å; S31-L35 PolarHBondContact O-N 3.43Å; E32-L35 WeakPolarHBondContact O-CB 3.44Å; E32-L35 PolarHBondContact O-N 2.96Å; E32-L35 VanDerWaalsContact O-N 3.13Å; K33-L35 PolarHBondContact O-N 3.03Å; L35-V56 HydrophobicContact CD2-CG1 4.46Å; L35-V56 HydrophobicContact CD2-CG2 4.3Å; L35-N59 HydrophobicContact CD2-CB 3.79Å; L35-F60 HydrophobicContact CD2-CD2 4.45Å; L35-F60 HydrophobicContact CD2-CE2 4.21Å; L35-W63 HydrophobicContact CB-CH2 4.09Å; L35-W63 HydrophobicContact CB-CZ3 4.31Å; L35-W63 HydrophobicContact CD1-CH2 4Å; L35-W63 HydrophobicContact CD2-CH2 3.77Å; L35-W63 HydrophobicContact CD2-CZ3 3.81Å; L35-W63 HydrophobicContact CG-CH2 4.14Å; L35-W63 HydrophobicContact CG-CZ3 4.49Å; L35-R172 PolarHBondContact O-NE 3.11Å; L35-R172 VanDerWaalsContact O-NE 3.14Å; L35-R172 PolarHBondContact O-NH2 3.35Å
36F95.6Very high93Very high129 Ų12929.7 Ų29.757%0.56615%0.151SC*.Hα-helixtrans-94.3-28.3-174.9-66.1-77.7000114.9E32 K33 R172E32-F36 HydrophobicContact CG-CE2 4.39Å; E32-F36 VanDerWaalsContact O-CD2 3.26Å; E32-F36 WeakPolarHBondContact O-CD2 3.25Å; K33-F36 PolarHBondContact O-N 3.39Å; F36-R172 VanDerWaalsContact C-CZ 3.4Å; F36-R172 VanDerWaalsContact O-CZ 3.27Å; F36-R172 PolarHBondContact O-NH1 3.3Å; F36-R172 PolarHBondContact O-NH2 3.47Å
37F97.3Very high92.4Very high91 Ų9130.1 Ų30.140%0.39915%0.153SC..SBendtrans-127.4149.1-176.1-55.2-74.2000112.3K33 T39 R172 H198K33-F37 PolarHBondContact O-N 3.37Å; F37-T39 PolarHBondContact O-N 3.48Å; F37-T39 VanDerWaalsContact O-N 3.11Å; F37-T39 PolarHBondContact O-OG1 3.27Å; F37-R172 WeakPolarHBondContact O-CD 3.43Å; F37-H198 HydrophobicContact CB-CB 3.7Å; F37-H198 HydrophobicContact CG-CB 4.25Å
38N97.9Very high91.8Very high23 Ų2330.9 Ų30.912%0.12316%0.162CC..  trans-66.2113.5165.6-71.2-7.9000107.6R172 V173 L195 A197 H198N38-R172 WeakPolarHBondContact OD1-CD 3.29Å; N38-R172 PolarHBondContact OD1-NH1 3.23Å; N38-V173 CarbonylContact C-O 3.52Å; N38-V173 WeakPolarHBondContact CA-O 3.44Å; N38-V173 HydrophobicContact CB-CB 4.29Å; N38-V173 PolarHBondContact OD1-N 2.88Å; N38-L195 WeakPolarHBondContact CB-O 3.45Å; N38-L195 PolarHBondContact ND2-O 2.91Å; N38-A197 PolarHBondContact O-N 2.93Å; N38-H198 PolarHBondContact O-N 3.12Å
39T98.3Very high91.6Very high1 Ų129.3 Ų29.31%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-122.3130.9-161.8-58.60000110.9A34 F37 V41 V173 A175 H198 E200A34-T39 WeakPolarHBondContact CA-OG1 3.5Å; F37-T39 PolarHBondContact O-N 3.48Å; F37-T39 VanDerWaalsContact O-N 3.11Å; F37-T39 PolarHBondContact O-OG1 3.27Å; T39-V41 HydrophobicContact CG2-CG2 3.93Å; T39-V173 PolarHBondContact N-O 2.84Å; T39-A175 PolarHBondContact O-N 3.18Å; T39-H198 CarbonylContact C-O 3.55Å; T39-H198 VanDerWaalsContact CA-O 3.28Å; T39-H198 WeakPolarHBondContact CA-O 3.09Å; T39-H198 HydrophobicContact CG2-CB 4.4Å; T39-E200 HydrophobicContact CG2-CB 4.28Å; T39-E200 HydrophobicContact CG2-CG 3.9Å
40L97.6Very high91.3Very high0 Ų028.4 Ų28.40%015%0.151CC..EExtended strand (participates in β ladder)trans-95.9111166.7176.361.5000109.4A148 A175 V190 V196 H198 L199 E200L40-A148 HydrophobicContact CD1-CB 3.91Å; L40-A175 WeakPolarHBondContact CA-O 3.1Å; L40-A175 HydrophobicContact CB-CB 4.35Å; L40-A175 HydrophobicContact CD1-CB 3.59Å; L40-V190 HydrophobicContact CD1-CG1 4.43Å; L40-V190 HydrophobicContact CD2-CG1 4.18Å; L40-V196 HydrophobicContact CB-CB 4.44Å; L40-V196 HydrophobicContact CB-CG1 3.65Å; L40-V196 HydrophobicContact CB-CG2 3.94Å; L40-H198 PolarHBondContact N-O 2.79Å; L40-L199 HydrophobicContact CB-CG 4.48Å; L40-L199 HydrophobicContact CD2-CD2 4.13Å; L40-E200 PolarHBondContact O-N 2.7Å
41V96.8Very high91.1Very high0 Ų029.1 Ų29.10%016%0.155CC..EExtended strand (participates in β ladder)trans-96.8113.2177.3-178.20000109I30 T39 L43 I52 L174 A175 L176 S177 E200I30-V41 HydrophobicContact CD1-CG1 4.33Å; I30-V41 HydrophobicContact CG2-CB 4.36Å; I30-V41 HydrophobicContact CG2-CG1 3.96Å; I30-V41 HydrophobicContact CG2-CG2 3.44Å; I30-V41 VanDerWaalsContact CG2-CG2 3.44Å; T39-V41 HydrophobicContact CG2-CG2 3.93Å; V41-L43 HydrophobicContact CG1-CD1 3.8Å; V41-L43 HydrophobicContact CG1-CG 3.75Å; V41-I52 HydrophobicContact CG1-CD1 4.22Å; V41-L174 HydrophobicContact CG2-CD1 3.66Å; V41-A175 PolarHBondContact N-O 2.9Å; V41-L176 HydrophobicContact CB-CD2 3.86Å; V41-L176 HydrophobicContact CG1-CD2 4.41Å; V41-L176 HydrophobicContact CG2-CD2 4.2Å; V41-S177 PolarHBondContact O-N 3.02Å; V41-E200 WeakPolarHBondContact CA-O 3.37Å; V41-E200 HydrophobicContact CG2-CB 4.39Å
42T93.4Very high91Very high5 Ų529.1 Ų29.13%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-106.4105.7171.9-57.60000108.8S177 P180 E200 I201 R202T42-S177 WeakPolarHBondContact CA-O 3.36Å; T42-P180 HydrophobicContact CG2-CG 4.49Å; T42-E200 PolarHBondContact N-O 2.99Å; T42-I201 HydrophobicContact CG2-CG2 4.33Å; T42-R202 PolarHBondContact O-N 3.4Å
43L90Very high91Very high0 Ų025.2 Ų25.20%014%0.137CC..  trans-132.8138.3176.7-71.1176.6000109.9Y26 I30 V41 L47 K49 I52 S177 A178 R202Y26-L43 HydrophobicContact CD2-CD1 4.45Å; Y26-L43 HydrophobicContact CD2-CD2 4.32Å; Y26-L43 HydrophobicContact CE2-CD1 4.07Å; Y26-L43 HydrophobicContact CE2-CD2 4.33Å; I30-L43 HydrophobicContact CD1-CD1 3.96Å; I30-L43 HydrophobicContact CD1-CD2 4.11Å; I30-L43 HydrophobicContact CD1-CG 4.3Å; V41-L43 HydrophobicContact CG1-CD1 3.8Å; V41-L43 HydrophobicContact CG1-CG 3.75Å; L43-L47 HydrophobicContact CB-CB 4.49Å; L43-K49 HydrophobicContact CB-CD 4.26Å; L43-K49 HydrophobicContact CB-CG 3.85Å; L43-K49 HydrophobicContact CD1-CG 4.24Å; L43-K49 PolarHBondContact O-NZ 3Å; L43-I52 HydrophobicContact CD1-CD1 3.53Å; L43-S177 PolarHBondContact N-O 3.09Å; L43-A178 WeakPolarHBondContact O-CA 3.47Å; L43-R202 HydrophobicContact CD2-CB 3.62Å; L43-R202 HydrophobicContact CD2-CG 3.55Å
44P81Confident90.9Very high12 Ų1221 Ų218%0.07812%0.119CC..  trans-48.1152.7168.4-2829000113.4L47 K49 R202 D204 I209P44-L47 HydrophobicContact CB-CD1 3.74Å; P44-L47 HydrophobicContact CB-CG 4.23Å; P44-L47 HydrophobicContact CG-CD1 3.79Å; P44-L47 PolarHBondContact O-N 3.23Å; P44-K49 PolarHBondContact O-NZ 2.95Å; P44-R202 WeakPolarHBondContact CD-O 3.45Å; P44-D204 WeakPolarHBondContact CG-OD1 3.49Å; P44-I209 HydrophobicContact CG-CD1 4.24Å
45T77.1Confident90.8Very high22 Ų2220.9 Ų20.914%0.13512%0.118CC..THydrogen-bonded Turntrans-65137.7-179.4-440000110.5
46G72.7Confident90.8Very high40 Ų4020.6 Ų20.641%0.41212%0.116SC..THydrogen-bonded Turntrans90.5-6.3-177.600000115.3G48G46-G48 VanDerWaalsContact C-N 3.27Å; G46-G48 PolarHBondContact O-N 3.48Å
47L79.4Confident90.9Very high9 Ų914.4 Ų14.45%0.0479%0.089CC..SBendtrans-88.415.1178.8-61.8-175.4000114.6Y26 Q27 L43 P44 I209 I213Y26-L47 HydrophobicContact CE2-CB 4.5Å; Y26-L47 PolarHBondContact OH-O 2.82Å; Q27-L47 PolarHBondContact NE2-O 3.35Å; L43-L47 HydrophobicContact CB-CB 4.49Å; P44-L47 HydrophobicContact CB-CD1 3.74Å; P44-L47 HydrophobicContact CB-CG 4.23Å; P44-L47 HydrophobicContact CG-CD1 3.79Å; P44-L47 PolarHBondContact O-N 3.23Å; L47-I209 HydrophobicContact CD1-CB 4.11Å; L47-I209 HydrophobicContact CD1-CD1 3.58Å; L47-I209 HydrophobicContact CD1-CG1 4.36Å; L47-I209 HydrophobicContact CD1-CG2 4.38Å; L47-I213 HydrophobicContact CD1-CD1 4.18Å; L47-I213 HydrophobicContact CD1-CG1 4.4Å; L47-I213 HydrophobicContact CD2-CG1 4.18Å
48G82.2Confident90.8Very high21 Ų2112.4 Ų12.422%0.2168%0.08CC..  trans82.536.9170.100000115.9G46 T50 L51 I52G46-G48 VanDerWaalsContact C-N 3.27Å; G46-G48 PolarHBondContact O-N 3.48Å; G48-T50 PolarHBondContact O-N 2.83Å; G48-L51 WeakPolarHBondContact O-CB 3.36Å; G48-L51 PolarHBondContact O-N 3.5Å; G48-I52 PolarHBondContact O-N 3.36Å
49K89.1Confident90.7Very high23 Ų2311.3 Ų11.310%0.17%0.074CC..Hα-helixtrans-51.4-40.7166.9-67.7-171-73.2-84.30112.2L43 P44 L51 I52 A53 L176L43-K49 HydrophobicContact CB-CD 4.26Å; L43-K49 HydrophobicContact CB-CG 3.85Å; L43-K49 HydrophobicContact CD1-CG 4.24Å; L43-K49 PolarHBondContact O-NZ 3Å; P44-K49 PolarHBondContact O-NZ 2.95Å; K49-L51 VanDerWaalsContact C-N 3.32Å; K49-L51 PolarHBondContact O-N 2.76Å; K49-I52 PolarHBondContact O-N 3.19Å; K49-A53 PolarHBondContact O-N 2.92Å; K49-L176 HydrophobicContact CD-CB 4.39Å
50T88.8Confident90.6Very high39 Ų3911.8 Ų11.824%0.2398%0.076CC..Hα-helixtrans-62.4-36.2177.5-54.10000112.9G48 A53 A54 Q82 A85G48-T50 PolarHBondContact O-N 2.83Å; T50-A53 WeakPolarHBondContact O-CB 3.34Å; T50-A53 PolarHBondContact O-N 2.97Å; T50-A54 WeakPolarHBondContact O-CB 3.16Å; T50-A54 PolarHBondContact O-N 3.23Å; T50-Q82 PolarHBondContact OG1-OE1 3.33Å; T50-A85 HydrophobicContact CG2-CB 3.64Å
51L91.8Very high90.5Very high16 Ų1613.4 Ų13.48%0.0848%0.082CC..Hα-helixtrans-65.9-46.3176.2176.460.2000110.8Y17 P18 V21 G48 K49 A53 A54 V55 V89Y17-L51 WeakPolarHBondContact OH-CD2 3.17Å; P18-L51 HydrophobicContact CG-CD1 3.74Å; V21-L51 HydrophobicContact CG2-CD1 3.91Å; V21-L51 HydrophobicContact CG2-CD2 3.8Å; G48-L51 WeakPolarHBondContact O-CB 3.36Å; G48-L51 PolarHBondContact O-N 3.5Å; K49-L51 VanDerWaalsContact C-N 3.32Å; K49-L51 PolarHBondContact O-N 2.76Å; L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 2.97Å; L51-A54 PolarHBondContact O-N 3.41Å; L51-A54 VanDerWaalsContact O-N 3.13Å; L51-V55 HydrophobicContact CD1-CG2 4.22Å; L51-V55 VanDerWaalsContact O-CG2 3.32Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.35Å; L51-V89 HydrophobicContact CD1-CG1 3.52Å
52I94.8Very high90.4Very high0 Ų016 Ų160%09%0.092CC..Hα-helixtrans-57.9-45.8176.6-66.1162.3000110.2Q27 I30 V41 L43 G48 K49 A54 V55 V56 L174Q27-I52 HydrophobicContact CB-CG1 4.27Å; Q27-I52 HydrophobicContact CG-CD1 4.47Å; I30-I52 HydrophobicContact CB-CD1 4.13Å; I30-I52 HydrophobicContact CD1-CD1 4.02Å; I30-I52 HydrophobicContact CG2-CD1 3.85Å; I30-I52 HydrophobicContact CG2-CG1 4.41Å; I30-I52 HydrophobicContact CG2-CG2 3.84Å; V41-I52 HydrophobicContact CG1-CD1 4.22Å; L43-I52 HydrophobicContact CD1-CD1 3.53Å; G48-I52 PolarHBondContact O-N 3.36Å; K49-I52 PolarHBondContact O-N 3.19Å; I52-A54 VanDerWaalsContact C-N 3.35Å; I52-A54 PolarHBondContact O-N 3.07Å; I52-V55 PolarHBondContact O-N 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.45Å; I52-L174 HydrophobicContact CG2-CD2 4.33Å
53A95.6Very high90.6Very high1 Ų117 Ų171%0.00810%0.095CC..Hα-helixtrans-57.1-48.217500000112.1K49 T50 L51 V55 V56 M57 F71 V144 L174 L176K49-A53 PolarHBondContact O-N 2.92Å; T50-A53 WeakPolarHBondContact O-CB 3.34Å; T50-A53 PolarHBondContact O-N 2.97Å; L51-A53 VanDerWaalsContact C-N 3.29Å; L51-A53 PolarHBondContact O-N 2.97Å; A53-V55 VanDerWaalsContact C-N 3.35Å; A53-V55 PolarHBondContact O-N 3.22Å; A53-V56 PolarHBondContact O-N 3.11Å; A53-M57 VanDerWaalsContact O-CB 3.29Å; A53-M57 WeakPolarHBondContact O-CB 3.49Å; A53-M57 WeakPolarHBondContact O-CG 3.33Å; A53-M57 PolarHBondContact O-N 3.3Å; A53-F71 HydrophobicContact CB-CD2 4.37Å; A53-F71 HydrophobicContact CB-CE2 3.85Å; A53-V144 HydrophobicContact CB-CG1 4.14Å; A53-L174 HydrophobicContact CB-CD2 4.42Å; A53-L176 HydrophobicContact CB-CD1 3.75Å
54A94.7Very high90.9Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-61.9-42.7-177.900000112.2T50 L51 I52 Y58 F86 V89 M90T50-A54 WeakPolarHBondContact O-CB 3.16Å; T50-A54 PolarHBondContact O-N 3.23Å; L51-A54 PolarHBondContact O-N 3.41Å; L51-A54 VanDerWaalsContact O-N 3.13Å; I52-A54 VanDerWaalsContact C-N 3.35Å; I52-A54 PolarHBondContact O-N 3.07Å; A54-Y58 WeakPolarHBondContact O-CB 3.05Å; A54-Y58 PolarHBondContact O-N 3.15Å; A54-F86 HydrophobicContact CB-CD2 3.63Å; A54-F86 HydrophobicContact CB-CE2 4.04Å; A54-V89 HydrophobicContact CB-CG1 4.29Å; A54-M90 HydrophobicContact CB-CG 3.84Å; A54-M90 HydrophobicContact CB-SD 4.4Å
55V95.2Very high91.4Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-61.8-49.4176.4172.70000111.2W15 Y17 P18 L51 I52 A53 Y58 N59W15-V55 HydrophobicContact CE3-CG1 4.15Å; W15-V55 HydrophobicContact CZ3-CG1 3.86Å; Y17-V55 HydrophobicContact CD2-CB 4.49Å; Y17-V55 HydrophobicContact CD2-CG1 3.91Å; Y17-V55 HydrophobicContact CD2-CG2 3.77Å; Y17-V55 HydrophobicContact CE2-CG1 4.44Å; Y17-V55 HydrophobicContact CE2-CG2 3.82Å; Y17-V55 HydrophobicContact CG-CG2 4.46Å; P18-V55 HydrophobicContact CG-CG2 4.2Å; L51-V55 HydrophobicContact CD1-CG2 4.22Å; L51-V55 VanDerWaalsContact O-CG2 3.32Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.35Å; I52-V55 PolarHBondContact O-N 3.28Å; A53-V55 VanDerWaalsContact C-N 3.35Å; A53-V55 PolarHBondContact O-N 3.22Å; V55-Y58 PolarHBondContact O-N 2.91Å; V55-N59 PolarHBondContact O-N 3.2Å; V55-N59 VanDerWaalsContact O-N 3.15Å; V55-N59 PolarHBondContact O-ND2 3.39Å
56V97.2Very high92.2Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-63.5-50.5-179.7173.10000110.3A34 L35 I52 A53 Y58 N59 F60 L174A34-V56 HydrophobicContact CB-CG2 3.72Å; L35-V56 HydrophobicContact CD2-CG1 4.46Å; L35-V56 HydrophobicContact CD2-CG2 4.3Å; I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.45Å; A53-V56 PolarHBondContact O-N 3.11Å; V56-Y58 VanDerWaalsContact C-N 3.32Å; V56-Y58 PolarHBondContact O-N 3.43Å; V56-N59 PolarHBondContact O-N 3.15Å; V56-F60 HydrophobicContact CG1-CD2 4.04Å; V56-F60 HydrophobicContact CG1-CE2 4.16Å; V56-F60 WeakPolarHBondContact O-CD2 3.42Å; V56-F60 PolarHBondContact O-N 3.44Å; V56-F60 VanDerWaalsContact O-N 3.1Å; V56-L174 HydrophobicContact CB-CD2 3.96Å; V56-L174 HydrophobicContact CG1-CD2 4.23Å; V56-L174 HydrophobicContact CG2-CD2 4Å
57M97.1Very high93.3Very high0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-57.5-43.5179.3-73.2173.370.500112.8A53 F60 Y61 V69 F71 F86 I118 F120 V144A53-M57 VanDerWaalsContact O-CB 3.29Å; A53-M57 WeakPolarHBondContact O-CB 3.49Å; A53-M57 WeakPolarHBondContact O-CG 3.33Å; A53-M57 PolarHBondContact O-N 3.3Å; M57-F60 PolarHBondContact O-N 2.95Å; M57-Y61 WeakPolarHBondContact O-CB 3.49Å; M57-Y61 PolarHBondContact O-N 3.07Å; M57-V69 HydrophobicContact CB-CG1 3.68Å; M57-V69 HydrophobicContact CE-CG1 4Å; M57-V69 HydrophobicContact CG-CG1 3.68Å; M57-F71 HydrophobicContact CE-CB 3.88Å; M57-F71 HydrophobicContact SD-CB 4.1Å; M57-F71 HydrophobicContact SD-CD2 3.68Å; M57-F71 HydrophobicContact SD-CG 4.37Å; M57-F86 HydrophobicContact CB-CE2 3.83Å; M57-F86 HydrophobicContact CB-CZ 4.37Å; M57-F86 HydrophobicContact CE-CD2 4.37Å; M57-F86 HydrophobicContact CE-CE2 4.11Å; M57-F86 HydrophobicContact CE-CZ 4.35Å; M57-F86 HydrophobicContact SD-CD2 4.23Å; M57-F86 HydrophobicContact SD-CE2 4.13Å; M57-I118 HydrophobicContact CE-CG2 3.72Å; M57-F120 HydrophobicContact CE-CE1 4.39Å; M57-F120 HydrophobicContact CE-CE2 4.22Å; M57-F120 HydrophobicContact CE-CZ 3.81Å; M57-V144 HydrophobicContact CG-CG2 3.51Å; M57-V144 HydrophobicContact SD-CG2 3.86Å
58Y95.5Very high94.1Very high49 Ų4925.7 Ų25.719%0.19212%0.12CC..Hα-helixtrans-65.1-40.4-179.5-180-109.1000112.6I16 A54 V55 V56 Y61 R62 M90 I92I16-Y58 HydrophobicContact CB-CD1 4.2Å; I16-Y58 HydrophobicContact CB-CE1 3.86Å; I16-Y58 HydrophobicContact CD1-CE1 3.99Å; I16-Y58 HydrophobicContact CG1-CE1 4.46Å; I16-Y58 HydrophobicContact CG2-CD1 4.32Å; I16-Y58 HydrophobicContact CG2-CE1 3.81Å; A54-Y58 WeakPolarHBondContact O-CB 3.05Å; A54-Y58 PolarHBondContact O-N 3.15Å; V55-Y58 PolarHBondContact O-N 2.91Å; V56-Y58 VanDerWaalsContact C-N 3.32Å; V56-Y58 PolarHBondContact O-N 3.43Å; Y58-Y61 WeakPolarHBondContact O-CB 3.36Å; Y58-Y61 PolarHBondContact O-N 3.41Å; Y58-R62 HydrophobicContact CE1-CG 4.15Å; Y58-R62 HydrophobicContact CE2-CG 4.49Å; Y58-R62 PolarHBondContact O-N 3.37Å; Y58-M90 HydrophobicContact CD1-CE 3.25Å; Y58-M90 HydrophobicContact CD2-CE 3.75Å; Y58-M90 HydrophobicContact CE1-CE 3.92Å; Y58-M90 HydrophobicContact CE2-CE 4.36Å; Y58-M90 HydrophobicContact CG-CE 3.14Å; Y58-I92 HydrophobicContact CD2-CD1 3.52Å; Y58-I92 HydrophobicContact CD2-CG1 3.59Å; Y58-I92 HydrophobicContact CE2-CD1 4.16Å; Y58-I92 HydrophobicContact CE2-CG1 3.7Å
59N96.4Very high94.8Very high0 Ų024.8 Ų24.80%011%0.11CC..Hα-helixtrans-66.6-43.4177.9-77.8-65.9000111.5W15 I16 L35 V55 V56 Y61 R62 W63W15-N59 WeakPolarHBondContact CA-OD1 3.47Å; I16-N59 PolarHBondContact N-OD1 2.96Å; I16-N59 PolarHBondContact O-ND2 3.29Å; L35-N59 HydrophobicContact CD2-CB 3.79Å; V55-N59 PolarHBondContact O-N 3.2Å; V55-N59 VanDerWaalsContact O-N 3.15Å; V55-N59 PolarHBondContact O-ND2 3.39Å; V56-N59 PolarHBondContact O-N 3.15Å; N59-Y61 VanDerWaalsContact C-N 3.29Å; N59-Y61 PolarHBondContact O-N 2.92Å; N59-R62 PolarHBondContact O-N 3.12Å; N59-R62 VanDerWaalsContact O-N 3.08Å; N59-R62 PolarHBondContact OD1-NH1 3.26Å; N59-W63 HydrophobicContact CB-CD2 4.23Å; N59-W63 HydrophobicContact CB-CE3 4.24Å; N59-W63 HydrophobicContact CB-CH2 4.09Å; N59-W63 HydrophobicContact CB-CZ2 4.05Å; N59-W63 HydrophobicContact CB-CZ3 4.16Å; N59-W63 WeakPolarHBondContact O-CB 3.44Å; N59-W63 VanDerWaalsContact O-CD2 3.27Å; N59-W63 PolarHBondContact O-N 3.38Å
60F96.6Very high95.2Very high10 Ų1023.7 Ų23.74%0.04411%0.105CC..Hα-helixtrans-63.8-34.3172.7-84.1-92.8000113L35 V56 M57 W63 Y64 V69 K141 C142 R172L35-F60 HydrophobicContact CD2-CD2 4.45Å; L35-F60 HydrophobicContact CD2-CE2 4.21Å; V56-F60 HydrophobicContact CG1-CD2 4.04Å; V56-F60 HydrophobicContact CG1-CE2 4.16Å; V56-F60 WeakPolarHBondContact O-CD2 3.42Å; V56-F60 PolarHBondContact O-N 3.44Å; V56-F60 VanDerWaalsContact O-N 3.1Å; M57-F60 PolarHBondContact O-N 2.95Å; F60-W63 HydrophobicContact CD2-CE3 4.36Å; F60-W63 HydrophobicContact CD2-CZ3 4.37Å; F60-W63 HydrophobicContact CE2-CE3 4.41Å; F60-W63 HydrophobicContact CE2-CZ3 4.12Å; F60-W63 HydrophobicContact CG-CE3 4.5Å; F60-W63 HydrophobicContact CZ-CZ3 4.45Å; F60-Y64 AromaticContact CD1-CD2 3.87Å; F60-Y64 HydrophobicContact CD1-CD2 3.87Å; F60-Y64 AromaticContact CD1-CE2 3.64Å; F60-Y64 HydrophobicContact CD1-CE2 3.64Å; F60-Y64 AromaticContact CE1-CE2 3.87Å; F60-Y64 HydrophobicContact CE1-CE2 3.87Å; F60-Y64 PolarHBondContact O-N 3.49Å; F60-V69 HydrophobicContact CB-CG2 4.05Å; F60-K141 HydrophobicContact CD1-CB 4.32Å; F60-K141 WeakPolarHBondContact CD1-O 3.42Å; F60-C142 HydrophobicContact CB-CB 3.64Å; F60-C142 HydrophobicContact CD1-CB 3.83Å; F60-C142 HydrophobicContact CD2-CB 4.12Å; F60-C142 HydrophobicContact CG-CB 3.58Å; F60-R172 HydrophobicContact CD1-CB 4.45Å; F60-R172 HydrophobicContact CE1-CB 3.64Å; F60-R172 HydrophobicContact CE1-CG 4.46Å; F60-R172 HydrophobicContact CE2-CB 3.87Å; F60-R172 HydrophobicContact CE2-CG 3.79Å; F60-R172 HydrophobicContact CZ-CB 3.32Å; F60-R172 HydrophobicContact CZ-CG 3.67Å
61Y95.5Very high95.7Very high35 Ų3522 Ų2214%0.1379%0.094CC..Hα-helixtrans-63.1-39.6171.2170.8-93.7000111.8M57 Y58 N59 I92 S96 R117 I118M57-Y61 WeakPolarHBondContact O-CB 3.49Å; M57-Y61 PolarHBondContact O-N 3.07Å; Y58-Y61 WeakPolarHBondContact O-CB 3.36Å; Y58-Y61 PolarHBondContact O-N 3.41Å; N59-Y61 VanDerWaalsContact C-N 3.29Å; N59-Y61 PolarHBondContact O-N 2.92Å; Y61-I92 HydrophobicContact CD1-CD1 4.44Å; Y61-I92 HydrophobicContact CE1-CG2 4.33Å; Y61-S96 PolarHBondContact OH-OG 3.44Å; Y61-R117 HydrophobicContact CD2-CB 4.15Å; Y61-R117 HydrophobicContact CE2-CB 3.97Å; Y61-R117 PolarHBondContact O-NH2 3.47Å; Y61-I118 HydrophobicContact CD2-CD1 3.66Å; Y61-I118 HydrophobicContact CD2-CG1 3.86Å; Y61-I118 HydrophobicContact CE2-CD1 4.14Å; Y61-I118 HydrophobicContact CE2-CG1 4.48Å; Y61-I118 HydrophobicContact CG-CD1 3.99Å; Y61-I118 HydrophobicContact CG-CG1 4.47Å
62R95Very high95.9Very high55 Ų5521.2 Ų21.221%0.2089%0.09CC..Hα-helixtrans-70.4-45.8175.7-74.1178.358.7-112.83.2112.4T14 I16 Y58 N59 Y64T14-R62 PolarHBondContact O-NH1 3.32Å; I16-R62 VanDerWaalsContact CD1-CZ 3.43Å; Y58-R62 HydrophobicContact CE1-CG 4.15Å; Y58-R62 HydrophobicContact CE2-CG 4.49Å; Y58-R62 PolarHBondContact O-N 3.37Å; N59-R62 PolarHBondContact O-N 3.12Å; N59-R62 VanDerWaalsContact O-N 3.08Å; N59-R62 PolarHBondContact OD1-NH1 3.26Å; R62-Y64 VanDerWaalsContact C-N 3.33Å; R62-Y64 PolarHBondContact O-N 2.94Å
63W96.3Very high95.8Very high25 Ų2521.2 Ų21.210%0.0959%0.09CC..Hα-helixtrans-71.9-25.8-172.8-64.2-22.3000113.7F7 D8 A11 T14 W15 L35 N59 F60 P65F7-W63 CarbonylContact C-O 3.57Å; F7-W63 WeakPolarHBondContact CA-O 3.37Å; F7-W63 HydrophobicContact CD2-CB 3.89Å; F7-W63 HydrophobicContact CE2-CB 3.66Å; F7-W63 HydrophobicContact CE2-CD2 4.29Å; F7-W63 AromaticContact CE2-CG 3.95Å; F7-W63 HydrophobicContact CE2-CG 3.95Å; D8-W63 PolarHBondContact N-O 2.95Å; A11-W63 VanDerWaalsContact C-CD1 3.45Å; A11-W63 PolarHBondContact O-NE1 3.4Å; A11-W63 VanDerWaalsContact O-NE1 3.11Å; T14-W63 PolarHBondContact O-NE1 3.48Å; W15-W63 HydrophobicContact CB-CH2 4.2Å; W15-W63 HydrophobicContact CB-CZ2 3.67Å; L35-W63 HydrophobicContact CB-CH2 4.09Å; L35-W63 HydrophobicContact CB-CZ3 4.31Å; L35-W63 HydrophobicContact CD1-CH2 4Å; L35-W63 HydrophobicContact CD2-CH2 3.77Å; L35-W63 HydrophobicContact CD2-CZ3 3.81Å; L35-W63 HydrophobicContact CG-CH2 4.14Å; L35-W63 HydrophobicContact CG-CZ3 4.49Å; N59-W63 HydrophobicContact CB-CD2 4.23Å; N59-W63 HydrophobicContact CB-CE3 4.24Å; N59-W63 HydrophobicContact CB-CH2 4.09Å; N59-W63 HydrophobicContact CB-CZ2 4.05Å; N59-W63 HydrophobicContact CB-CZ3 4.16Å; N59-W63 WeakPolarHBondContact O-CB 3.44Å; N59-W63 VanDerWaalsContact O-CD2 3.27Å; N59-W63 PolarHBondContact O-N 3.38Å; F60-W63 HydrophobicContact CD2-CE3 4.36Å; F60-W63 HydrophobicContact CD2-CZ3 4.37Å; F60-W63 HydrophobicContact CE2-CE3 4.41Å; F60-W63 HydrophobicContact CE2-CZ3 4.12Å; F60-W63 HydrophobicContact CG-CE3 4.5Å; F60-W63 HydrophobicContact CZ-CZ3 4.45Å; W63-P65 WeakPolarHBondContact O-CD 3.2Å
64Y96.1Very high95.5Very high44 Ų4422.3 Ų22.317%0.17310%0.097CC..  trans-121.684.2178-63.5-87.6000110.8F7 F60 R62 Y66 G67 R117 K141F7-Y64 HydrophobicContact CB-CD1 4.22Å; F7-Y64 HydrophobicContact CB-CE1 3.73Å; F7-Y64 HydrophobicContact CD2-CD2 4.47Å; F7-Y64 AromaticContact CD2-CE1 3.96Å; F7-Y64 HydrophobicContact CD2-CE1 3.96Å; F7-Y64 AromaticContact CD2-CE2 3.89Å; F7-Y64 HydrophobicContact CD2-CE2 3.89Å; F7-Y64 AromaticContact CD2-CZ 3.61Å; F7-Y64 HydrophobicContact CE2-CE2 4.47Å; F7-Y64 HydrophobicContact CG-CE1 4.35Å; F60-Y64 AromaticContact CD1-CD2 3.87Å; F60-Y64 HydrophobicContact CD1-CD2 3.87Å; F60-Y64 AromaticContact CD1-CE2 3.64Å; F60-Y64 HydrophobicContact CD1-CE2 3.64Å; F60-Y64 AromaticContact CE1-CE2 3.87Å; F60-Y64 HydrophobicContact CE1-CE2 3.87Å; F60-Y64 PolarHBondContact O-N 3.49Å; R62-Y64 VanDerWaalsContact C-N 3.33Å; R62-Y64 PolarHBondContact O-N 2.94Å; Y64-Y66 PolarHBondContact O-N 3.49Å; Y64-G67 WeakPolarHBondContact O-CA 3.26Å; Y64-G67 PolarHBondContact O-N 3.43Å; Y64-R117 PolarHBondContact O-NH2 3.03Å; Y64-K141 HydrophobicContact CD1-CB 4.37Å; Y64-K141 HydrophobicContact CD1-CD 3.85Å; Y64-K141 HydrophobicContact CD1-CG 3.7Å; Y64-K141 HydrophobicContact CD2-CB 3.87Å; Y64-K141 HydrophobicContact CD2-CG 4.1Å; Y64-K141 HydrophobicContact CE1-CD 3.9Å; Y64-K141 HydrophobicContact CE1-CG 4.17Å; Y64-K141 HydrophobicContact CE2-CB 4.22Å; Y64-K141 HydrophobicContact CG-CB 3.94Å; Y64-K141 HydrophobicContact CG-CD 4.3Å; Y64-K141 HydrophobicContact CG-CG 3.65Å
65P93.1Very high94.9Very high43 Ų4323.7 Ų23.728%0.27911%0.106SC..THydrogen-bonded Turntrans-54-27.5-177.2-29.236.3000115.4D8 W63 R117D8-P65 HydrophobicContact CB-CG 3.99Å; W63-P65 WeakPolarHBondContact O-CD 3.2Å; P65-R117 VanDerWaalsContact CA-NH2 3.32Å; P65-R117 PolarHBondContact O-NE 2.9Å; P65-R117 PolarHBondContact O-NH1 3.31Å; P65-R117 PolarHBondContact O-NH2 2.95Å
66Y92.8Very high94.3Very high167 Ų16726.2 Ų26.266%0.65512%0.117SC*.THydrogen-bonded Turntrans-106.2-2.8176.1-54.6-71.9000113.6Y64Y64-Y66 PolarHBondContact O-N 3.49Å
67G95.2Very high93.4Very high5 Ų526.9 Ų26.95%0.05212%0.121CC..  trans-72.9156.7-179.400000113.1Y64 R139Y64-G67 WeakPolarHBondContact O-CA 3.26Å; Y64-G67 PolarHBondContact O-N 3.43Å; G67-R139 CarbonylContact C-O 3.6Å; G67-R139 VanDerWaalsContact CA-O 3.29Å; G67-R139 WeakPolarHBondContact CA-O 3.32Å
68K96.6Very high92.8Very high7 Ų726.9 Ų26.93%0.0312%0.121CC..EExtended strand (participates in β ladder)trans-106.4132174.8-50.9-64.3177.9-178.60108.8L70 W113 K116 R117 F119 P136 R139 I140 K141K68-L70 HydrophobicContact CB-CD1 4.04Å; K68-W113 HydrophobicContact CB-CZ3 4.38Å; K68-W113 HydrophobicContact CD-CE3 4.5Å; K68-W113 VanDerWaalsContact CE-O 3.31Å; K68-W113 WeakPolarHBondContact CE-O 3.3Å; K68-W113 HydrophobicContact CG-CZ3 4.47Å; K68-W113 PolarHBondContact NZ-O 3.16Å; K68-K116 PolarHBondContact NZ-O 3.09Å; K68-R117 WeakPolarHBondContact CA-O 3.45Å; K68-F119 HydrophobicContact CB-CE2 4.44Å; K68-F119 HydrophobicContact CD-CE2 3.76Å; K68-F119 HydrophobicContact CD-CZ 4.4Å; K68-P136 HydrophobicContact CD-CG 4.49Å; K68-P136 HydrophobicContact CG-CG 4.15Å; K68-R139 HydrophobicContact CG-CB 3.86Å; K68-R139 PolarHBondContact N-O 3.28Å; K68-I140 HydrophobicContact CB-CG1 4.31Å; K68-K141 PolarHBondContact O-N 3.19Å
69V97.5Very high92.5Very high1 Ų124.5 Ų24.51%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-118126.5179.1178.20000108.3M57 F60 R117 I118 F119 C142M57-V69 HydrophobicContact CB-CG1 3.68Å; M57-V69 HydrophobicContact CE-CG1 4Å; M57-V69 HydrophobicContact CG-CG1 3.68Å; F60-V69 HydrophobicContact CB-CG2 4.05Å; V69-R117 PolarHBondContact N-O 3.39Å; V69-I118 HydrophobicContact CB-CG1 4.21Å; V69-I118 CarbonylContact O-C 3.58Å; V69-I118 VanDerWaalsContact O-CA 3.31Å; V69-I118 WeakPolarHBondContact O-CA 3.49Å; V69-F119 PolarHBondContact O-N 3.4Å; V69-C142 HydrophobicContact CG1-CB 4.09Å; V69-C142 HydrophobicContact CG2-CB 4.31Å
70L98.1Very high92Very high0 Ų026.2 Ų26.20%012%0.124CC..EExtended strand (participates in β ladder)trans-121.8141.8-169-67.382.8000110K68 W113 F119 L121 L126 I140 C142 L143 V144K68-L70 HydrophobicContact CB-CD1 4.04Å; L70-W113 HydrophobicContact CD2-CH2 3.83Å; L70-W113 HydrophobicContact CG-CH2 4.28Å; L70-F119 CarbonylContact C-O 3.51Å; L70-F119 WeakPolarHBondContact CA-O 3.47Å; L70-F119 HydrophobicContact CG-CB 4.46Å; L70-L121 HydrophobicContact CD2-CD1 3.75Å; L70-L121 HydrophobicContact CG-CD1 4.39Å; L70-L126 HydrophobicContact CD2-CD1 3.78Å; L70-L126 HydrophobicContact CD2-CD2 3.67Å; L70-L126 HydrophobicContact CD2-CG 4.38Å; L70-I140 HydrophobicContact CD1-CB 4.16Å; L70-I140 HydrophobicContact CD1-CD1 4.06Å; L70-I140 HydrophobicContact CD1-CG1 3.71Å; L70-I140 HydrophobicContact CD1-CG2 3.68Å; L70-I140 HydrophobicContact CD2-CD1 3.99Å; L70-C142 PolarHBondContact N-O 3.42Å; L70-L143 HydrophobicContact CB-CD1 3.59Å; L70-L143 HydrophobicContact CD2-CD1 4.24Å; L70-L143 HydrophobicContact CG-CD1 4.5Å; L70-V144 PolarHBondContact O-N 3.34Å
71F97.9Very high91.4Very high3 Ų327.7 Ų27.71%0.01313%0.131CC..EExtended strand (participates in β ladder)trans-123.4119.7168.4-170.6-73.6000108.3A53 M57 A73 Q82 F119 F120 L121 V144 D146 L176A53-F71 HydrophobicContact CB-CD2 4.37Å; A53-F71 HydrophobicContact CB-CE2 3.85Å; M57-F71 HydrophobicContact CE-CB 3.88Å; M57-F71 HydrophobicContact SD-CB 4.1Å; M57-F71 HydrophobicContact SD-CD2 3.68Å; M57-F71 HydrophobicContact SD-CG 4.37Å; F71-A73 HydrophobicContact CE1-CB 4.16Å; F71-Q82 HydrophobicContact CD1-CB 4.18Å; F71-Q82 HydrophobicContact CE1-CB 3.67Å; F71-Q82 HydrophobicContact CE1-CG 3.59Å; F71-Q82 HydrophobicContact CZ-CB 3.86Å; F71-Q82 HydrophobicContact CZ-CG 3.66Å; F71-F119 PolarHBondContact N-O 3.47Å; F71-F120 HydrophobicContact CB-CD1 3.59Å; F71-F120 HydrophobicContact CB-CE1 3.62Å; F71-F120 HydrophobicContact CB-CG 4.25Å; F71-F120 HydrophobicContact CB-CZ 4.32Å; F71-F120 AromaticContact CD1-CD1 3.82Å; F71-F120 HydrophobicContact CD1-CD1 3.82Å; F71-F120 HydrophobicContact CD1-CE1 4.03Å; F71-F120 HydrophobicContact CD2-CE1 4.08Å; F71-F120 AromaticContact CG-CD1 3.77Å; F71-F120 HydrophobicContact CG-CD1 3.77Å; F71-F120 AromaticContact CG-CE1 3.64Å; F71-F120 HydrophobicContact CG-CE1 3.64Å; F71-F120 WeakPolarHBondContact O-CA 3.34Å; F71-L121 PolarHBondContact O-N 2.73Å; F71-V144 HydrophobicContact CB-CB 4.46Å; F71-V144 HydrophobicContact CD2-CB 3.64Å; F71-V144 HydrophobicContact CD2-CG1 3.55Å; F71-V144 HydrophobicContact CD2-CG2 4.26Å; F71-V144 HydrophobicContact CE2-CB 4.17Å; F71-V144 HydrophobicContact CE2-CG1 3.53Å; F71-V144 HydrophobicContact CG-CB 4.23Å; F71-V144 HydrophobicContact CG-CG1 4.42Å; F71-V144 HydrophobicContact CZ-CG1 4.36Å; F71-D146 HydrophobicContact CE1-CB 3.76Å; F71-D146 HydrophobicContact CZ-CB 3.78Å; F71-L176 HydrophobicContact CE2-CD1 4.3Å
72L97.2Very high91.1Very high1 Ų126.7 Ų26.71%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-103.8130.8177.7-53.4-173.8000110.2L121 P123 L126 L143 V144 D146 Y157 V160L72-L121 WeakPolarHBondContact CA-O 3.48Å; L72-L121 HydrophobicContact CD2-CB 3.74Å; L72-L121 HydrophobicContact CD2-CD1 3.89Å; L72-L121 HydrophobicContact CD2-CG 4.17Å; L72-P123 HydrophobicContact CD1-CB 4.38Å; L72-L126 HydrophobicContact CD1-CD2 4.18Å; L72-L126 HydrophobicContact CD2-CD2 3.99Å; L72-L143 HydrophobicContact CD1-CD1 3.71Å; L72-L143 HydrophobicContact CD1-CD2 4.4Å; L72-L143 HydrophobicContact CD1-CG 4.38Å; L72-L143 HydrophobicContact CD2-CD1 4.26Å; L72-L143 HydrophobicContact CG-CD1 3.65Å; L72-V144 PolarHBondContact N-O 3.27Å; L72-D146 WeakPolarHBondContact O-CB 2.82Å; L72-D146 PolarHBondContact O-N 3.28Å; L72-Y157 HydrophobicContact CB-CD1 4.35Å; L72-Y157 HydrophobicContact CB-CE1 3.74Å; L72-Y157 HydrophobicContact CD1-CD1 4.1Å; L72-Y157 HydrophobicContact CD1-CE1 4.3Å; L72-V160 HydrophobicContact CD1-CG1 4.22Å; L72-V160 HydrophobicContact CD1-CG2 4.43Å
73A92.8Very high90.9Very high0 Ų025.5 Ų25.50%012%0.123CC..  trans-129.9152.6169.300000110.2F71 T75 L78 V79 L121 T122 P123 D146 Y157F71-A73 HydrophobicContact CE1-CB 4.16Å; A73-T75 VanDerWaalsContact C-N 3.31Å; A73-T75 PolarHBondContact O-N 3.25Å; A73-L78 HydrophobicContact CB-CB 3.71Å; A73-V79 HydrophobicContact CB-CG2 3.81Å; A73-L121 PolarHBondContact N-O 3.1Å; A73-L121 VanDerWaalsContact N-O 3.09Å; A73-T122 WeakPolarHBondContact O-CA 3.4Å; A73-P123 VanDerWaalsContact O-CD 3.3Å; A73-P123 WeakPolarHBondContact O-CD 3.34Å; A73-D146 HydrophobicContact CB-CB 4.36Å; A73-Y157 WeakPolarHBondContact CA-OH 3.36Å
74P88.1Confident90.5Very high24 Ų2429.6 Ų29.616%0.15614%0.144CC..SBendtrans-69.4-28.9-172.126.5-34.1000112.9L78 E147 Y157P74-L78 HydrophobicContact CG-CD2 4.17Å; P74-E147 HydrophobicContact CG-CB 4.26Å; P74-E147 HydrophobicContact CG-CG 4.18Å; P74-Y157 WeakPolarHBondContact CD-OH 3.44Å; P74-Y157 VanDerWaalsContact N-OH 3.15Å
75T82.8Confident90Very high28 Ų2828.9 Ų28.917%0.17215%0.147CC..SBendtrans-129.7149.2-174.372.50000111.8A73 P77 L78 V79 E490A73-T75 VanDerWaalsContact C-N 3.31Å; A73-T75 PolarHBondContact O-N 3.25Å; T75-P77 VanDerWaalsContact C-CD 3.46Å; T75-P77 VanDerWaalsContact C-N 3.33Å; T75-L78 PolarHBondContact O-N 3.34Å; T75-L78 VanDerWaalsContact O-N 3.13Å; T75-L78 WeakPolarHBondContact OG1-CD1 3.34Å; T75-V79 WeakPolarHBondContact O-CG2 3.4Å; T75-V79 PolarHBondContact O-N 3.46Å; T75-V79 VanDerWaalsContact O-N 3.09Å; T75-E490 VanDerWaalsContact CG2-OE2 3.31Å; T75-E490 WeakPolarHBondContact CG2-OE2 3.26Å; T75-E490 PolarHBondContact OG1-OE2 3.1Å
76K82.3Confident89.8Confident54 Ų5427 Ų2724%0.23513%0.134CC..Hα-helixtrans-54.1-41179.8-54.3-170.6179.5-173.50113.5L78 V79 S80 T101 S103 T122K76-L78 PolarHBondContact O-N 2.96Å; K76-V79 WeakPolarHBondContact O-CB 3.48Å; K76-V79 PolarHBondContact O-N 2.9Å; K76-S80 PolarHBondContact O-N 3.24Å; K76-T101 HydrophobicContact CB-CG2 4.03Å; K76-T101 HydrophobicContact CD-CG2 4.1Å; K76-T101 HydrophobicContact CG-CG2 3.85Å; K76-S103 PolarHBondContact NZ-OG 3.47Å; K76-T122 HydrophobicContact CG-CG2 4.24Å
77P79.5Confident89.5Confident13 Ų1322.2 Ų22.28%0.08412%0.115CC..Hα-helixtrans-61.4-41.9176.5-26.738000113.4T75 V79 S80 Q81 Q464 L492T75-P77 VanDerWaalsContact C-CD 3.46Å; T75-P77 VanDerWaalsContact C-N 3.33Å; P77-V79 VanDerWaalsContact C-N 3.33Å; P77-V79 PolarHBondContact O-N 2.97Å; P77-S80 PolarHBondContact O-N 3.24Å; P77-Q81 WeakPolarHBondContact O-CB 3.5Å; P77-Q81 PolarHBondContact O-N 3.21Å; P77-Q464 HydrophobicContact CG-CG 4.46Å; P77-L492 HydrophobicContact CB-CD2 3.57Å
78L83.3Confident89Confident0 Ų026.5 Ų26.50%014%0.144CC..Hα-helixtrans-63.6-40.9175.9-88.780.1000111.2A73 P74 T75 K76 S80 Q81 Q82 E147 E490 L492A73-L78 HydrophobicContact CB-CB 3.71Å; P74-L78 HydrophobicContact CG-CD2 4.17Å; T75-L78 PolarHBondContact O-N 3.34Å; T75-L78 VanDerWaalsContact O-N 3.13Å; T75-L78 WeakPolarHBondContact OG1-CD1 3.34Å; K76-L78 PolarHBondContact O-N 2.96Å; L78-S80 PolarHBondContact O-N 3.37Å; L78-Q81 PolarHBondContact O-N 3.42Å; L78-Q82 WeakPolarHBondContact O-CB 3.41Å; L78-Q82 WeakPolarHBondContact O-CG 3.29Å; L78-Q82 PolarHBondContact O-N 2.99Å; L78-E147 HydrophobicContact CD2-CG 4.19Å; L78-E490 HydrophobicContact CD1-CB 3.98Å; L78-L492 HydrophobicContact CD1-CD2 4.24Å; L78-L492 HydrophobicContact CD1-CG 4.1Å
79V89.4Confident88.4Confident0 Ų027.5 Ų27.50%015%0.151CC..Hα-helixtrans-55.5-51.5174.8174.40000111A73 T75 K76 P77 Q82 K83 E99 T101 F120 L121 T122A73-V79 HydrophobicContact CB-CG2 3.81Å; T75-V79 WeakPolarHBondContact O-CG2 3.4Å; T75-V79 PolarHBondContact O-N 3.46Å; T75-V79 VanDerWaalsContact O-N 3.09Å; K76-V79 WeakPolarHBondContact O-CB 3.48Å; K76-V79 PolarHBondContact O-N 2.9Å; P77-V79 VanDerWaalsContact C-N 3.33Å; P77-V79 PolarHBondContact O-N 2.97Å; V79-Q82 PolarHBondContact O-N 3.28Å; V79-K83 WeakPolarHBondContact O-CB 3.45Å; V79-K83 PolarHBondContact O-N 2.98Å; V79-K83 VanDerWaalsContact O-N 3.08Å; V79-E99 HydrophobicContact CG1-CG 3.92Å; V79-T101 HydrophobicContact CG1-CG2 4.37Å; V79-F120 VanDerWaalsContact CG1-C 3.41Å; V79-F120 HydrophobicContact CG1-CB 3.58Å; V79-F120 WeakPolarHBondContact CG1-O 3.38Å; V79-L121 WeakPolarHBondContact CG2-O 3.48Å; V79-T122 HydrophobicContact CG2-CG2 3.98Å
80S85.8Confident87.8Confident36 Ų3628 Ų2825%0.25215%0.153SC..Hα-helixtrans-65-41.4-178.1-161.30000112.1K76 P77 L78 K83 E84 E99K76-S80 PolarHBondContact O-N 3.24Å; P77-S80 PolarHBondContact O-N 3.24Å; L78-S80 PolarHBondContact O-N 3.37Å; S80-K83 PolarHBondContact O-N 3.17Å; S80-E84 PolarHBondContact O-N 3.28Å; S80-E84 VanDerWaalsContact O-N 3.11Å; S80-E99 PolarHBondContact OG-OE2 3.4Å
81Q84.4Confident86.9Confident41 Ų4131.9 Ų31.919%0.19219%0.194CC..Hα-helixtrans-65.5-46177.6-178.7-170.6-39.200112.6P77 L78 K83 E84 A85 G491 D493P77-Q81 WeakPolarHBondContact O-CB 3.5Å; P77-Q81 PolarHBondContact O-N 3.21Å; L78-Q81 PolarHBondContact O-N 3.42Å; Q81-K83 VanDerWaalsContact C-N 3.28Å; Q81-K83 PolarHBondContact O-N 3Å; Q81-E84 PolarHBondContact O-N 3.15Å; Q81-A85 WeakPolarHBondContact O-CB 3.37Å; Q81-A85 PolarHBondContact O-N 3.23Å; Q81-G491 PolarHBondContact NE2-O 3.33Å; Q81-D493 VanDerWaalsContact CD-N 3.29Å
82Q89.1Confident86.1Confident13 Ų1332.4 Ų32.46%0.06120%0.196CC..Hα-helixtrans-67.2-33.2-179-65.6-71.810.600111.2T50 F71 L78 V79 F86 F120 D146T50-Q82 PolarHBondContact OG1-OE1 3.33Å; F71-Q82 HydrophobicContact CD1-CB 4.18Å; F71-Q82 HydrophobicContact CE1-CB 3.67Å; F71-Q82 HydrophobicContact CE1-CG 3.59Å; F71-Q82 HydrophobicContact CZ-CB 3.86Å; F71-Q82 HydrophobicContact CZ-CG 3.66Å; L78-Q82 WeakPolarHBondContact O-CB 3.41Å; L78-Q82 WeakPolarHBondContact O-CG 3.29Å; L78-Q82 PolarHBondContact O-N 2.99Å; V79-Q82 PolarHBondContact O-N 3.28Å; Q82-F86 WeakPolarHBondContact O-CB 3.33Å; Q82-F86 PolarHBondContact O-N 3.23Å; Q82-F120 HydrophobicContact CB-CD1 4.18Å; Q82-F120 HydrophobicContact CB-CE1 4.03Å; Q82-D146 PolarHBondContact NE2-OD2 2.91Å
83K90.9Very high85.4Confident30 Ų3035.6 Ų35.613%0.1322%0.217CC..Hα-helixtrans-60.8-46.9170.1169.7177.6149.6-161.70112.1V79 S80 Q81 F86 R87 I97 E99 F120V79-K83 WeakPolarHBondContact O-CB 3.45Å; V79-K83 PolarHBondContact O-N 2.98Å; V79-K83 VanDerWaalsContact O-N 3.08Å; S80-K83 PolarHBondContact O-N 3.17Å; Q81-K83 VanDerWaalsContact C-N 3.28Å; Q81-K83 PolarHBondContact O-N 3Å; K83-F86 PolarHBondContact O-N 3.06Å; K83-R87 VanDerWaalsContact O-CG 3.28Å; K83-R87 WeakPolarHBondContact O-CG 3.42Å; K83-R87 PolarHBondContact O-N 3.21Å; K83-I97 HydrophobicContact CD-CG2 4.31Å; K83-I97 HydrophobicContact CG-CG2 4.16Å; K83-E99 HydrophobicContact CD-CB 3.74Å; K83-E99 HydrophobicContact CD-CG 4.46Å; K83-E99 IonicContact NZ-OE2 3.63Å; K83-E99 PolarHBondContact NZ-OE2 3.32Å; K83-F120 HydrophobicContact CB-CB 4.24Å; K83-F120 HydrophobicContact CB-CD1 3.97Å; K83-F120 HydrophobicContact CB-CD2 3.79Å; K83-F120 HydrophobicContact CB-CE1 4.29Å; K83-F120 HydrophobicContact CB-CE2 4.11Å; K83-F120 HydrophobicContact CB-CG 3.72Å; K83-F120 HydrophobicContact CB-CZ 4.36Å; K83-F120 HydrophobicContact CG-CD2 4.11Å; K83-F120 HydrophobicContact CG-CE2 4.38Å; K83-F120 HydrophobicContact CG-CG 4.49Å
84E87.2Confident84.9Confident112 Ų11241.6 Ų41.652%0.52325%0.245SC..Hα-helixtrans-67.1-41.4-179.8-168.359.4-162.400111.7S80 Q81 F86 R87 S88S80-E84 PolarHBondContact O-N 3.28Å; S80-E84 VanDerWaalsContact O-N 3.11Å; Q81-E84 PolarHBondContact O-N 3.15Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3Å; E84-R87 WeakPolarHBondContact O-CB 3.45Å; E84-R87 PolarHBondContact O-N 2.93Å; E84-R87 IonicContact OE2-NH1 3.44Å; E84-S88 PolarHBondContact O-N 3.31Å
85A85.3Confident84.9Confident29 Ų2946 Ų4624%0.2427%0.267CS..Hα-helixtrans-65.6-35.717500000112.5T50 Q81 S88 V89T50-A85 HydrophobicContact CG2-CB 3.64Å; Q81-A85 WeakPolarHBondContact O-CB 3.37Å; Q81-A85 PolarHBondContact O-N 3.23Å; A85-S88 PolarHBondContact O-OG 3.08Å; A85-V89 VanDerWaalsContact O-CG2 3.26Å; A85-V89 WeakPolarHBondContact O-CG2 3.45Å; A85-V89 PolarHBondContact O-N 3.4Å
86F89.8Confident85.2Confident3 Ų345.5 Ų45.51%0.01327%0.265CS..Hα-helixtrans-65-40.6173.7177.2-97.5000112A54 M57 Q82 K83 E84 V89 M90 I92 I97 I118 F120A54-F86 HydrophobicContact CB-CD2 3.63Å; A54-F86 HydrophobicContact CB-CE2 4.04Å; M57-F86 HydrophobicContact CB-CE2 3.83Å; M57-F86 HydrophobicContact CB-CZ 4.37Å; M57-F86 HydrophobicContact CE-CD2 4.37Å; M57-F86 HydrophobicContact CE-CE2 4.11Å; M57-F86 HydrophobicContact CE-CZ 4.35Å; M57-F86 HydrophobicContact SD-CD2 4.23Å; M57-F86 HydrophobicContact SD-CE2 4.13Å; Q82-F86 WeakPolarHBondContact O-CB 3.33Å; Q82-F86 PolarHBondContact O-N 3.23Å; K83-F86 PolarHBondContact O-N 3.06Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3Å; F86-V89 PolarHBondContact O-N 3.13Å; F86-M90 HydrophobicContact CD2-CG 4.47Å; F86-M90 HydrophobicContact CE2-CG 4.2Å; F86-M90 PolarHBondContact O-N 2.72Å; F86-I92 HydrophobicContact CE1-CD1 3.53Å; F86-I92 HydrophobicContact CE2-CD1 4.47Å; F86-I92 HydrophobicContact CZ-CD1 3.32Å; F86-I97 HydrophobicContact CD1-CD1 4Å; F86-I97 HydrophobicContact CE1-CD1 3.9Å; F86-I97 HydrophobicContact CE1-CG1 4.44Å; F86-I118 HydrophobicContact CE1-CD1 3.98Å; F86-I118 HydrophobicContact CE1-CG2 4.16Å; F86-I118 HydrophobicContact CZ-CD1 3.94Å; F86-I118 HydrophobicContact CZ-CG2 4.43Å; F86-F120 HydrophobicContact CB-CE1 4.31Å; F86-F120 HydrophobicContact CB-CE2 4.4Å; F86-F120 HydrophobicContact CB-CZ 3.58Å; F86-F120 HydrophobicContact CD1-CE2 4.04Å; F86-F120 AromaticContact CD1-CZ 3.9Å; F86-F120 HydrophobicContact CD1-CZ 3.9Å; F86-F120 HydrophobicContact CD2-CZ 4.28Å; F86-F120 HydrophobicContact CG-CE2 4.29Å; F86-F120 AromaticContact CG-CZ 3.67Å; F86-F120 HydrophobicContact CG-CZ 3.67Å
87R87Confident85.7Confident67 Ų6743.3 Ų43.325%0.25326%0.256SS..Hα-helixtrans-65-37.5177.3-75.3167.8166.1-164.9-12113.2K83 E84 V89 I97K83-R87 VanDerWaalsContact O-CG 3.28Å; K83-R87 WeakPolarHBondContact O-CG 3.42Å; K83-R87 PolarHBondContact O-N 3.21Å; E84-R87 WeakPolarHBondContact O-CB 3.45Å; E84-R87 PolarHBondContact O-N 2.93Å; E84-R87 IonicContact OE2-NH1 3.44Å; R87-V89 VanDerWaalsContact C-N 3.28Å; R87-V89 PolarHBondContact O-N 2.77Å; R87-I97 HydrophobicContact CG-CD1 3.92Å
88S83.7Confident86.3Confident95 Ų9542.9 Ų42.966%0.66425%0.253SS*.Hα-helixtrans-71.6-26.2179.665.80000112.8E84 A85E84-S88 PolarHBondContact O-N 3.31Å; A85-S88 PolarHBondContact O-OG 3.08Å
89V84.6Confident86.7Confident27 Ų2745.5 Ų45.516%0.16427%0.266CS..Hα-helixtrans-90.5-39.8-177.7178.80000112P18 L51 A54 A85 F86 R87P18-V89 HydrophobicContact CG-CG1 4.17Å; L51-V89 HydrophobicContact CD1-CG1 3.52Å; A54-V89 HydrophobicContact CB-CG1 4.29Å; A85-V89 VanDerWaalsContact O-CG2 3.26Å; A85-V89 WeakPolarHBondContact O-CG2 3.45Å; A85-V89 PolarHBondContact O-N 3.4Å; F86-V89 PolarHBondContact O-N 3.13Å; R87-V89 VanDerWaalsContact C-N 3.28Å; R87-V89 PolarHBondContact O-N 2.77Å
90M84.2Confident86.6Confident11 Ų1145.5 Ų45.55%0.05427%0.266CS..SBendtrans-115.5129.2-172-54.9-53.7-76.800112.2P18 A54 Y58 F86 I92P18-M90 HydrophobicContact CB-SD 4.24Å; P18-M90 HydrophobicContact CG-SD 4.16Å; A54-M90 HydrophobicContact CB-CG 3.84Å; A54-M90 HydrophobicContact CB-SD 4.4Å; Y58-M90 HydrophobicContact CD1-CE 3.25Å; Y58-M90 HydrophobicContact CD2-CE 3.75Å; Y58-M90 HydrophobicContact CE1-CE 3.92Å; Y58-M90 HydrophobicContact CE2-CE 4.36Å; Y58-M90 HydrophobicContact CG-CE 3.14Å; F86-M90 HydrophobicContact CD2-CG 4.47Å; F86-M90 HydrophobicContact CE2-CG 4.2Å; F86-M90 PolarHBondContact O-N 2.72Å; M90-I92 HydrophobicContact CB-CD1 4.34Å; M90-I92 HydrophobicContact CB-CG1 4.27Å; M90-I92 PolarHBondContact O-N 3.24Å
91G79.6Confident86.3Confident83 Ų8344.2 Ų44.286%0.85626%0.256SS*.  trans-76.353177.900000114.4
92I81.9Confident85.8Confident14 Ų1444.9 Ų44.97%0.07227%0.274CS..  trans-90.6138.4176.1-60.4173.6000109.7Y58 Y61 F86 M90 Q94 I97 I118Y58-I92 HydrophobicContact CD2-CD1 3.52Å; Y58-I92 HydrophobicContact CD2-CG1 3.59Å; Y58-I92 HydrophobicContact CE2-CD1 4.16Å; Y58-I92 HydrophobicContact CE2-CG1 3.7Å; Y61-I92 HydrophobicContact CD1-CD1 4.44Å; Y61-I92 HydrophobicContact CE1-CG2 4.33Å; F86-I92 HydrophobicContact CE1-CD1 3.53Å; F86-I92 HydrophobicContact CE2-CD1 4.47Å; F86-I92 HydrophobicContact CZ-CD1 3.32Å; M90-I92 HydrophobicContact CB-CD1 4.34Å; M90-I92 HydrophobicContact CB-CG1 4.27Å; M90-I92 PolarHBondContact O-N 3.24Å; I92-Q94 PolarHBondContact O-N 3.12Å; I92-I97 HydrophobicContact CB-CD1 4.45Å; I92-I97 HydrophobicContact CG2-CD1 4.43Å; I92-I97 HydrophobicContact CG2-CG1 4.38Å; I92-I118 HydrophobicContact CD1-CD1 3.38Å; I92-I118 HydrophobicContact CG2-CD1 4Å
93P82.6Confident85Confident68 Ų6848.4 Ų48.444%0.44230%0.3SS..  trans-52.7130.8174-26.734.8000111.9D95 S96P93-D95 PolarHBondContact O-N 3.21Å; P93-D95 VanDerWaalsContact O-N 3.13Å; P93-S96 WeakPolarHBondContact O-CB 3.34Å; P93-S96 PolarHBondContact O-N 3.46Å
94Q82.1Confident84.3Confident125 Ų12548.8 Ų48.858%0.58431%0.305SS*.G310 helixtrans-59.5-31.3-176.5-65.6-162.910.800112.1I92 S96 I97I92-Q94 PolarHBondContact O-N 3.12Å; Q94-S96 PolarHBondContact O-N 2.95Å; Q94-I97 PolarHBondContact O-N 3.15Å
95D86.6Confident84Confident116 Ų11648.6 Ų48.662%0.6231%0.307SS*.G310 helixtrans-69.4-7177.827.5-57.2000113.3P93 K116P93-D95 PolarHBondContact O-N 3.21Å; P93-D95 VanDerWaalsContact O-N 3.13Å; D95-K116 VanDerWaalsContact C-NZ 3.32Å; D95-K116 WeakPolarHBondContact O-CD 3.33Å; D95-K116 WeakPolarHBondContact O-CE 3.49Å; D95-K116 PolarHBondContact O-NZ 2.98Å
96S90Very high83.8Confident19 Ų1949.2 Ų49.213%0.13331%0.309CS..G310 helixtrans-91.7-13.9167.5-69.80000114.4Y61 P93 Q94 R117 I118Y61-S96 PolarHBondContact OH-OG 3.44Å; P93-S96 WeakPolarHBondContact O-CB 3.34Å; P93-S96 PolarHBondContact O-N 3.46Å; Q94-S96 PolarHBondContact O-N 2.95Å; S96-R117 PolarHBondContact O-N 3.02Å; S96-I118 PolarHBondContact O-N 3.45Å
97I93.1Very high83.4Confident7 Ų754.2 Ų54.24%0.03634%0.34CS..EExtended strand (participates in β ladder)trans-106133.4-171.4-56.7168.8000110.3K83 F86 R87 I92 Q94 I118 F120K83-I97 HydrophobicContact CD-CG2 4.31Å; K83-I97 HydrophobicContact CG-CG2 4.16Å; F86-I97 HydrophobicContact CD1-CD1 4Å; F86-I97 HydrophobicContact CE1-CD1 3.9Å; F86-I97 HydrophobicContact CE1-CG1 4.44Å; R87-I97 HydrophobicContact CG-CD1 3.92Å; I92-I97 HydrophobicContact CB-CD1 4.45Å; I92-I97 HydrophobicContact CG2-CD1 4.43Å; I92-I97 HydrophobicContact CG2-CG1 4.38Å; Q94-I97 PolarHBondContact O-N 3.15Å; I97-I118 CarbonylContact C-O 3.59Å; I97-I118 WeakPolarHBondContact CA-O 3.31Å; I97-I118 HydrophobicContact CG1-CB 4.18Å; I97-I118 HydrophobicContact CG1-CD1 4.38Å; I97-I118 HydrophobicContact CG1-CG2 4.36Å; I97-I118 HydrophobicContact CG2-CG2 4.41Å; I97-F120 HydrophobicContact CG2-CD2 3.93Å; I97-F120 HydrophobicContact CG2-CE2 3.93Å
98S92.5Very high83.5Confident4 Ų455.5 Ų55.53%0.02835%0.351CS..EExtended strand (participates in β ladder)trans-122.4148.7173.9-161.90000112.2E112 I118 F120S98-E112 VanDerWaalsContact CB-OE2 3.31Å; S98-E112 WeakPolarHBondContact CB-OE2 3.2Å; S98-E112 PolarHBondContact OG-OE2 3.5Å; S98-I118 PolarHBondContact N-O 3.42Å; S98-F120 PolarHBondContact O-N 3Å
99E91.8Very high83.8Confident56 Ų5651.6 Ų51.626%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-117.4117168.1177.1-178.4156.600108.1V79 S80 K83 T101 F120V79-E99 HydrophobicContact CG1-CG 3.92Å; S80-E99 PolarHBondContact OG-OE2 3.4Å; K83-E99 HydrophobicContact CD-CB 3.74Å; K83-E99 HydrophobicContact CD-CG 4.46Å; K83-E99 IonicContact NZ-OE2 3.63Å; K83-E99 PolarHBondContact NZ-OE2 3.32Å; E99-T101 HydrophobicContact CG-CG2 4.35Å; E99-F120 WeakPolarHBondContact CA-O 3.35Å
100M86.5Confident84Confident0 Ų055.6 Ų55.60%034%0.337CS..EExtended strand (participates in β ladder)trans-123.3118179.7-60.3-171.1-65.400110.2R109 E112 W113 F119 F120 L121 V125M100-R109 HydrophobicContact CB-CG 4.49Å; M100-R109 HydrophobicContact CG-CG 4.33Å; M100-R109 HydrophobicContact SD-CB 3.71Å; M100-R109 HydrophobicContact SD-CG 3.7Å; M100-E112 HydrophobicContact SD-CB 3.76Å; M100-E112 HydrophobicContact SD-CG 4.36Å; M100-W113 HydrophobicContact CE-CD2 4.05Å; M100-W113 VanDerWaalsContact CE-CE2 3.41Å; M100-W113 HydrophobicContact CE-CG 4.44Å; M100-W113 HydrophobicContact CE-CH2 4.28Å; M100-W113 HydrophobicContact CE-CZ2 3.56Å; M100-F119 HydrophobicContact CE-CD1 3.37Å; M100-F119 HydrophobicContact CE-CE1 3.8Å; M100-F119 HydrophobicContact CE-CG 4.31Å; M100-F119 HydrophobicContact SD-CD1 4.43Å; M100-F120 PolarHBondContact N-O 2.89Å; M100-L121 HydrophobicContact CB-CD2 3.74Å; M100-L121 HydrophobicContact CE-CD2 3.46Å; M100-L121 VanDerWaalsContact CE-CD2 3.46Å; M100-L121 HydrophobicContact CG-CD2 4.36Å; M100-L121 WeakPolarHBondContact O-CA 3.44Å; M100-V125 HydrophobicContact CB-CG1 4.25Å
101T79.8Confident84.3Confident8 Ų858.1 Ų58.15%0.04935%0.35CS..  trans-126.3171.2176.871.70000109.6K76 V79 E99 S103 T104K76-T101 HydrophobicContact CB-CG2 4.03Å; K76-T101 HydrophobicContact CD-CG2 4.1Å; K76-T101 HydrophobicContact CG-CG2 3.85Å; V79-T101 HydrophobicContact CG1-CG2 4.37Å; E99-T101 HydrophobicContact CG-CG2 4.35Å; T101-S103 PolarHBondContact O-N 2.89Å; T101-S103 PolarHBondContact OG1-OG 3.35Å; T101-T104 PolarHBondContact O-N 2.92Å; T101-T104 PolarHBondContact O-OG1 2.85Å
102G72.8Confident85Confident55 Ų5556.8 Ų56.857%0.56732%0.322SS*.THydrogen-bonded Turntrans-60.2-4.3-178.100000116.2
103S72.2Confident85.6Confident87 Ų8756.2 Ų56.261%0.60832%0.319SS*.THydrogen-bonded Turntrans-89.2-13172.534.20000113.9K76 T101K76-S103 PolarHBondContact NZ-OG 3.47Å; T101-S103 PolarHBondContact O-N 2.89Å; T101-S103 PolarHBondContact OG1-OG 3.35Å
104T77.6Confident86Confident38 Ų3858.9 Ų58.923%0.23333%0.325CS..SBendtrans-83.6128.6177.6-48.50000109.7T101 L108 R109T101-T104 PolarHBondContact O-N 2.92Å; T101-T104 PolarHBondContact O-OG1 2.85Å; T104-L108 HydrophobicContact CG2-CB 4.06Å; T104-R109 HydrophobicContact CG2-CG 3.8Å; T104-R109 PolarHBondContact O-NH1 3.37Å
105L80.7Confident86.5Confident109 Ų10959.7 Ų59.757%0.57133%0.327SS*.  trans-61.3143.7178.7-70.3171.5000111.7T107 L108 R109L105-T107 VanDerWaalsContact C-N 3.29Å; L105-T107 PolarHBondContact O-N 3.13Å; L105-L108 HydrophobicContact CB-CD1 4.15Å; L105-L108 HydrophobicContact CB-CG 4.23Å; L105-L108 HydrophobicContact CD1-CD1 4.47Å; L105-L108 WeakPolarHBondContact O-CB 3.34Å; L105-L108 PolarHBondContact O-N 3.47Å; L105-L108 VanDerWaalsContact O-N 3.12Å; L105-R109 WeakPolarHBondContact O-CG 3.49Å; L105-R109 PolarHBondContact O-N 3Å
106P80Confident86.9Confident42 Ų4255.9 Ų55.927%0.27331%0.305SS..Hα-helixtrans-57.8-36.6-178.5-24.633.8000114.4L108 R109 K110 I134P106-L108 VanDerWaalsContact C-N 3.35Å; P106-R109 WeakPolarHBondContact O-CB 3.42Å; P106-R109 PolarHBondContact O-N 3.03Å; P106-K110 PolarHBondContact O-N 2.91Å; P106-K110 VanDerWaalsContact O-N 3.08Å; P106-I134 HydrophobicContact CB-CD1 4.45Å
107T82.8Confident87.2Confident108 Ų10857.2 Ų57.266%0.66331%0.307SS*.Hα-helixtrans-63.1-41.3177.448.30000111.9L105 R109 K110L105-T107 VanDerWaalsContact C-N 3.29Å; L105-T107 PolarHBondContact O-N 3.13Å; T107-R109 VanDerWaalsContact C-N 3.34Å; T107-K110 PolarHBondContact O-N 3.31Å
108L87.8Confident87.4Confident93 Ų9356.9 Ų56.949%0.48731%0.305SS..Hα-helixtrans-65.3-39.9173.9-62.6176.1000110.8T104 L105 P106 K110 N111 E112T104-L108 HydrophobicContact CG2-CB 4.06Å; L105-L108 HydrophobicContact CB-CD1 4.15Å; L105-L108 HydrophobicContact CB-CG 4.23Å; L105-L108 HydrophobicContact CD1-CD1 4.47Å; L105-L108 WeakPolarHBondContact O-CB 3.34Å; L105-L108 PolarHBondContact O-N 3.47Å; L105-L108 VanDerWaalsContact O-N 3.12Å; P106-L108 VanDerWaalsContact C-N 3.35Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.26Å; L108-N111 WeakPolarHBondContact O-CB 3.5Å; L108-N111 PolarHBondContact O-N 2.98Å; L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 3.02Å
109R89.5Confident87.6Confident13 Ų1356.7 Ų56.75%0.04930%0.304CS..Hα-helixtrans-61.7-36.4177.5-63.5-161.7-58.3-105.68.4112.9M100 T104 L105 P106 T107 N111 E112 W113 D129M100-R109 HydrophobicContact CB-CG 4.49Å; M100-R109 HydrophobicContact CG-CG 4.33Å; M100-R109 HydrophobicContact SD-CB 3.71Å; M100-R109 HydrophobicContact SD-CG 3.7Å; T104-R109 HydrophobicContact CG2-CG 3.8Å; T104-R109 PolarHBondContact O-NH1 3.37Å; L105-R109 WeakPolarHBondContact O-CG 3.49Å; L105-R109 PolarHBondContact O-N 3Å; P106-R109 WeakPolarHBondContact O-CB 3.42Å; P106-R109 PolarHBondContact O-N 3.03Å; T107-R109 VanDerWaalsContact C-N 3.34Å; R109-N111 PolarHBondContact O-N 2.84Å; R109-E112 PolarHBondContact O-N 3.21Å; R109-W113 PolarHBondContact O-N 3.39Å; R109-D129 WeakPolarHBondContact CD-OD2 3.29Å; R109-D129 IonicContact CZ-OD1 2.73Å; R109-D129 IonicContact NE-OD1 3.18Å; R109-D129 PolarHBondContact NE-OD1 2.9Å; R109-D129 IonicContact NE-OD2 2.8Å; R109-D129 PolarHBondContact NE-OD2 2.59Å; R109-D129 VanDerWaalsContact NE-OD2 3.12Å; R109-D129 IonicContact NH2-OD1 2.81Å; R109-D129 PolarHBondContact NH2-OD1 2.8Å
110K89.7Confident87.8Confident112 Ų11254 Ų5449%0.48729%0.292SS..Hα-helixtrans-58.2-48.1173.8-174.5175.4-179.8-177.70112P106 T107 L108 E112 W113 E114 I134P106-K110 PolarHBondContact O-N 2.91Å; P106-K110 VanDerWaalsContact O-N 3.08Å; T107-K110 PolarHBondContact O-N 3.31Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.26Å; K110-E112 VanDerWaalsContact C-N 3.31Å; K110-E112 PolarHBondContact O-N 3.39Å; K110-W113 PolarHBondContact O-N 2.95Å; K110-E114 WeakPolarHBondContact CE-OE1 3.36Å; K110-E114 PolarHBondContact O-N 3.33Å; K110-E114 VanDerWaalsContact O-N 3.11Å; K110-I134 VanDerWaalsContact CA-CG2 3.46Å; K110-I134 HydrophobicContact CB-CG2 3.58Å; K110-I134 HydrophobicContact CG-CG2 3.94Å
111N91.5Very high88.2Confident63 Ų6354 Ų5434%0.33729%0.292SS..Hα-helixtrans-63.1-38.4178.3-159.8-5.9000111.7L108 R109 E114 K115L108-N111 WeakPolarHBondContact O-CB 3.5Å; L108-N111 PolarHBondContact O-N 2.98Å; R109-N111 PolarHBondContact O-N 2.84Å; N111-E114 PolarHBondContact O-N 3.4Å; N111-K115 PolarHBondContact O-N 3.33Å; N111-K115 VanDerWaalsContact OD1-CD 3.28Å; N111-K115 WeakPolarHBondContact OD1-CD 3.4Å; N111-K115 WeakPolarHBondContact OD1-CE 3.22Å; N111-K115 PolarHBondContact OD1-NZ 2.95Å
112E93.1Very high88.8Confident55 Ų5554.5 Ų54.526%0.25729%0.294SS..Hα-helixtrans-63.2-44.2173.8-66.8-64.612900111.8S98 M100 L108 R109 K110 E114 K115 K116 F119S98-E112 VanDerWaalsContact CB-OE2 3.31Å; S98-E112 WeakPolarHBondContact CB-OE2 3.2Å; S98-E112 PolarHBondContact OG-OE2 3.5Å; M100-E112 HydrophobicContact SD-CB 3.76Å; M100-E112 HydrophobicContact SD-CG 4.36Å; L108-E112 WeakPolarHBondContact O-CG 3.48Å; L108-E112 PolarHBondContact O-N 3.02Å; R109-E112 PolarHBondContact O-N 3.21Å; K110-E112 VanDerWaalsContact C-N 3.31Å; K110-E112 PolarHBondContact O-N 3.39Å; E112-E114 VanDerWaalsContact C-N 3.28Å; E112-E114 PolarHBondContact O-N 3.11Å; E112-K115 PolarHBondContact O-N 3.08Å; E112-K116 WeakPolarHBondContact O-CA 3.41Å; E112-K116 WeakPolarHBondContact O-CB 3.35Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.29Å; E112-K116 WeakPolarHBondContact OE2-CG 3.33Å; E112-F119 HydrophobicContact CB-CE1 4.45Å; E112-F119 WeakPolarHBondContact O-CE1 3.42Å; E112-F119 WeakPolarHBondContact O-CZ 3.28Å
113W94.6Very high89.9Confident3 Ų352.2 Ų52.21%0.01127%0.27CS..Hα-helixtrans-60.1-35.9176.2-81.7117.1000113K68 L70 M100 R109 K110 F119 L121 L126 D129 C135 P136K68-W113 HydrophobicContact CB-CZ3 4.38Å; K68-W113 HydrophobicContact CD-CE3 4.5Å; K68-W113 VanDerWaalsContact CE-O 3.31Å; K68-W113 WeakPolarHBondContact CE-O 3.3Å; K68-W113 HydrophobicContact CG-CZ3 4.47Å; K68-W113 PolarHBondContact NZ-O 3.16Å; L70-W113 HydrophobicContact CD2-CH2 3.83Å; L70-W113 HydrophobicContact CG-CH2 4.28Å; M100-W113 HydrophobicContact CE-CD2 4.05Å; M100-W113 VanDerWaalsContact CE-CE2 3.41Å; M100-W113 HydrophobicContact CE-CG 4.44Å; M100-W113 HydrophobicContact CE-CH2 4.28Å; M100-W113 HydrophobicContact CE-CZ2 3.56Å; R109-W113 PolarHBondContact O-N 3.39Å; K110-W113 PolarHBondContact O-N 2.95Å; W113-F119 HydrophobicContact CD2-CE1 4.09Å; W113-F119 HydrophobicContact CD2-CZ 4.18Å; W113-F119 HydrophobicContact CE3-CD1 4.2Å; W113-F119 HydrophobicContact CE3-CD2 4.06Å; W113-F119 AromaticContact CE3-CE1 3.76Å; W113-F119 HydrophobicContact CE3-CE1 3.76Å; W113-F119 AromaticContact CE3-CE2 3.67Å; W113-F119 HydrophobicContact CE3-CE2 3.67Å; W113-F119 HydrophobicContact CE3-CG 4.32Å; W113-F119 AromaticContact CE3-CZ 3.47Å; W113-F119 HydrophobicContact CE3-CZ 3.47Å; W113-F119 VanDerWaalsContact CE3-CZ 3.47Å; W113-F119 HydrophobicContact CH2-CB 4.4Å; W113-F119 HydrophobicContact CH2-CD1 4.31Å; W113-F119 HydrophobicContact CH2-CD2 4.16Å; W113-F119 HydrophobicContact CH2-CG 4.02Å; W113-F119 HydrophobicContact CZ3-CD1 4.08Å; W113-F119 AromaticContact CZ3-CD2 3.51Å; W113-F119 HydrophobicContact CZ3-CD2 3.51Å; W113-F119 HydrophobicContact CZ3-CE1 4.08Å; W113-F119 AromaticContact CZ3-CE2 3.58Å; W113-F119 HydrophobicContact CZ3-CE2 3.58Å; W113-F119 AromaticContact CZ3-CG 3.78Å; W113-F119 HydrophobicContact CZ3-CG 3.78Å; W113-F119 AromaticContact CZ3-CZ 3.84Å; W113-F119 HydrophobicContact CZ3-CZ 3.84Å; W113-L121 HydrophobicContact CH2-CD1 4.12Å; W113-L121 HydrophobicContact CZ2-CD1 4.16Å; W113-L126 HydrophobicContact CH2-CD1 4.15Å; W113-L126 HydrophobicContact CZ2-CD1 3.97Å; W113-D129 PolarHBondContact NE1-OD2 2.65Å; W113-D129 VanDerWaalsContact NE1-OD2 3.08Å; W113-C135 HydrophobicContact CD2-CB 4.47Å; W113-C135 VanDerWaalsContact CH2-SG 3.56Å; W113-C135 HydrophobicContact CZ2-CB 4.15Å; W113-C135 VanDerWaalsContact CZ2-SG 3.5Å; W113-P136 HydrophobicContact CE3-CG 4.36Å
114E92.2Very high90.8Very high123 Ų12352.7 Ų52.758%0.57526%0.262SS*.Hα-helixtrans-71.3-51.2177.8-71.9169.3-171.300111.5K110 N111 E112K110-E114 WeakPolarHBondContact CE-OE1 3.36Å; K110-E114 PolarHBondContact O-N 3.33Å; K110-E114 VanDerWaalsContact O-N 3.11Å; N111-E114 PolarHBondContact O-N 3.4Å; E112-E114 VanDerWaalsContact C-N 3.28Å; E112-E114 PolarHBondContact O-N 3.11Å
115K92.1Very high91.5Very high143 Ų14351 Ų5162%0.62225%0.252SS*.Hα-helixtrans-81.7-32.5-171.6-68.9177.5176.7165.30114.7N111 E112N111-K115 PolarHBondContact O-N 3.33Å; N111-K115 VanDerWaalsContact OD1-CD 3.28Å; N111-K115 WeakPolarHBondContact OD1-CD 3.4Å; N111-K115 WeakPolarHBondContact OD1-CE 3.22Å; N111-K115 PolarHBondContact OD1-NZ 2.95Å; E112-K115 PolarHBondContact O-N 3.08Å
116K95.2Very high92.3Very high36 Ų3645.9 Ų45.916%0.15723%0.225CC..  trans-102.4163.5-169.7-49.7-67.5-173.9170.10111.1K68 D95 E112 F119K68-K116 PolarHBondContact NZ-O 3.09Å; D95-K116 VanDerWaalsContact C-NZ 3.32Å; D95-K116 WeakPolarHBondContact O-CD 3.33Å; D95-K116 WeakPolarHBondContact O-CE 3.49Å; D95-K116 PolarHBondContact O-NZ 2.98Å; E112-K116 WeakPolarHBondContact O-CA 3.41Å; E112-K116 WeakPolarHBondContact O-CB 3.35Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.29Å; E112-K116 WeakPolarHBondContact OE2-CG 3.33Å; K116-F119 VanDerWaalsContact C-CZ 3.47Å; K116-F119 HydrophobicContact CB-CE1 3.83Å; K116-F119 HydrophobicContact CB-CE2 4.37Å; K116-F119 HydrophobicContact CB-CZ 3.63Å; K116-F119 WeakPolarHBondContact O-CE2 3.41Å; K116-F119 VanDerWaalsContact O-CZ 3.25Å; K116-F119 WeakPolarHBondContact O-CZ 3.29Å
117R95.5Very high92.9Very high46 Ų4644.5 Ų44.517%0.17422%0.215CC..SBendtrans-127.4-27.1-176.5-68.7178.158.4-151.2-4.8113.5Y61 Y64 P65 K68 V69 S96 F119Y61-R117 HydrophobicContact CD2-CB 4.15Å; Y61-R117 HydrophobicContact CE2-CB 3.97Å; Y61-R117 PolarHBondContact O-NH2 3.47Å; Y64-R117 PolarHBondContact O-NH2 3.03Å; P65-R117 VanDerWaalsContact CA-NH2 3.32Å; P65-R117 PolarHBondContact O-NE 2.9Å; P65-R117 PolarHBondContact O-NH1 3.31Å; P65-R117 PolarHBondContact O-NH2 2.95Å; K68-R117 WeakPolarHBondContact CA-O 3.45Å; V69-R117 PolarHBondContact N-O 3.39Å; S96-R117 PolarHBondContact O-N 3.02Å; R117-F119 VanDerWaalsContact C-CE2 3.46Å
118I96.9Very high93.4Very high0 Ų042.1 Ų42.10%020%0.199CC..EExtended strand (participates in β ladder)trans-112129.7177.1-65.2163.2000108.9M57 Y61 V69 F86 I92 S96 I97 S98 F120M57-I118 HydrophobicContact CE-CG2 3.72Å; Y61-I118 HydrophobicContact CD2-CD1 3.66Å; Y61-I118 HydrophobicContact CD2-CG1 3.86Å; Y61-I118 HydrophobicContact CE2-CD1 4.14Å; Y61-I118 HydrophobicContact CE2-CG1 4.48Å; Y61-I118 HydrophobicContact CG-CD1 3.99Å; Y61-I118 HydrophobicContact CG-CG1 4.47Å; V69-I118 HydrophobicContact CB-CG1 4.21Å; V69-I118 CarbonylContact O-C 3.58Å; V69-I118 VanDerWaalsContact O-CA 3.31Å; V69-I118 WeakPolarHBondContact O-CA 3.49Å; F86-I118 HydrophobicContact CE1-CD1 3.98Å; F86-I118 HydrophobicContact CE1-CG2 4.16Å; F86-I118 HydrophobicContact CZ-CD1 3.94Å; F86-I118 HydrophobicContact CZ-CG2 4.43Å; I92-I118 HydrophobicContact CD1-CD1 3.38Å; I92-I118 HydrophobicContact CG2-CD1 4Å; S96-I118 PolarHBondContact O-N 3.45Å; I97-I118 CarbonylContact C-O 3.59Å; I97-I118 WeakPolarHBondContact CA-O 3.31Å; I97-I118 HydrophobicContact CG1-CB 4.18Å; I97-I118 HydrophobicContact CG1-CD1 4.38Å; I97-I118 HydrophobicContact CG1-CG2 4.36Å; I97-I118 HydrophobicContact CG2-CG2 4.41Å; S98-I118 PolarHBondContact N-O 3.42Å; I118-F120 HydrophobicContact CG2-CD2 4.27Å; I118-F120 HydrophobicContact CG2-CE2 3.7Å
119F96.9Very high93.7Very high0 Ų037.7 Ų37.70%018%0.175CC..EExtended strand (participates in β ladder)trans-131127.4-171.9-63-89.2000111.5K68 V69 L70 F71 M100 E112 W113 K116 R117 L121K68-F119 HydrophobicContact CB-CE2 4.44Å; K68-F119 HydrophobicContact CD-CE2 3.76Å; K68-F119 HydrophobicContact CD-CZ 4.4Å; V69-F119 PolarHBondContact O-N 3.4Å; L70-F119 CarbonylContact C-O 3.51Å; L70-F119 WeakPolarHBondContact CA-O 3.47Å; L70-F119 HydrophobicContact CG-CB 4.46Å; F71-F119 PolarHBondContact N-O 3.47Å; M100-F119 HydrophobicContact CE-CD1 3.37Å; M100-F119 HydrophobicContact CE-CE1 3.8Å; M100-F119 HydrophobicContact CE-CG 4.31Å; M100-F119 HydrophobicContact SD-CD1 4.43Å; E112-F119 HydrophobicContact CB-CE1 4.45Å; E112-F119 WeakPolarHBondContact O-CE1 3.42Å; E112-F119 WeakPolarHBondContact O-CZ 3.28Å; W113-F119 HydrophobicContact CD2-CE1 4.09Å; W113-F119 HydrophobicContact CD2-CZ 4.18Å; W113-F119 HydrophobicContact CE3-CD1 4.2Å; W113-F119 HydrophobicContact CE3-CD2 4.06Å; W113-F119 AromaticContact CE3-CE1 3.76Å; W113-F119 HydrophobicContact CE3-CE1 3.76Å; W113-F119 AromaticContact CE3-CE2 3.67Å; W113-F119 HydrophobicContact CE3-CE2 3.67Å; W113-F119 HydrophobicContact CE3-CG 4.32Å; W113-F119 AromaticContact CE3-CZ 3.47Å; W113-F119 HydrophobicContact CE3-CZ 3.47Å; W113-F119 VanDerWaalsContact CE3-CZ 3.47Å; W113-F119 HydrophobicContact CH2-CB 4.4Å; W113-F119 HydrophobicContact CH2-CD1 4.31Å; W113-F119 HydrophobicContact CH2-CD2 4.16Å; W113-F119 HydrophobicContact CH2-CG 4.02Å; W113-F119 HydrophobicContact CZ3-CD1 4.08Å; W113-F119 AromaticContact CZ3-CD2 3.51Å; W113-F119 HydrophobicContact CZ3-CD2 3.51Å; W113-F119 HydrophobicContact CZ3-CE1 4.08Å; W113-F119 AromaticContact CZ3-CE2 3.58Å; W113-F119 HydrophobicContact CZ3-CE2 3.58Å; W113-F119 AromaticContact CZ3-CG 3.78Å; W113-F119 HydrophobicContact CZ3-CG 3.78Å; W113-F119 AromaticContact CZ3-CZ 3.84Å; W113-F119 HydrophobicContact CZ3-CZ 3.84Å; K116-F119 VanDerWaalsContact C-CZ 3.47Å; K116-F119 HydrophobicContact CB-CE1 3.83Å; K116-F119 HydrophobicContact CB-CE2 4.37Å; K116-F119 HydrophobicContact CB-CZ 3.63Å; K116-F119 WeakPolarHBondContact O-CE2 3.41Å; K116-F119 VanDerWaalsContact O-CZ 3.25Å; K116-F119 WeakPolarHBondContact O-CZ 3.29Å; R117-F119 VanDerWaalsContact C-CE2 3.46Å; F119-L121 HydrophobicContact CB-CD1 4.38Å; F119-L121 HydrophobicContact CB-CD2 3.73Å; F119-L121 HydrophobicContact CB-CG 4.03Å
120F96.2Very high93.9Very high1 Ų137.4 Ų37.40%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-104.4117.4170.1-70.4-96.6000108.2M57 F71 V79 Q82 K83 F86 I97 S98 E99 M100 I118M57-F120 HydrophobicContact CE-CE1 4.39Å; M57-F120 HydrophobicContact CE-CE2 4.22Å; M57-F120 HydrophobicContact CE-CZ 3.81Å; F71-F120 HydrophobicContact CB-CD1 3.59Å; F71-F120 HydrophobicContact CB-CE1 3.62Å; F71-F120 HydrophobicContact CB-CG 4.25Å; F71-F120 HydrophobicContact CB-CZ 4.32Å; F71-F120 AromaticContact CD1-CD1 3.82Å; F71-F120 HydrophobicContact CD1-CD1 3.82Å; F71-F120 HydrophobicContact CD1-CE1 4.03Å; F71-F120 HydrophobicContact CD2-CE1 4.08Å; F71-F120 AromaticContact CG-CD1 3.77Å; F71-F120 HydrophobicContact CG-CD1 3.77Å; F71-F120 AromaticContact CG-CE1 3.64Å; F71-F120 HydrophobicContact CG-CE1 3.64Å; F71-F120 WeakPolarHBondContact O-CA 3.34Å; V79-F120 VanDerWaalsContact CG1-C 3.41Å; V79-F120 HydrophobicContact CG1-CB 3.58Å; V79-F120 WeakPolarHBondContact CG1-O 3.38Å; Q82-F120 HydrophobicContact CB-CD1 4.18Å; Q82-F120 HydrophobicContact CB-CE1 4.03Å; K83-F120 HydrophobicContact CB-CB 4.24Å; K83-F120 HydrophobicContact CB-CD1 3.97Å; K83-F120 HydrophobicContact CB-CD2 3.79Å; K83-F120 HydrophobicContact CB-CE1 4.29Å; K83-F120 HydrophobicContact CB-CE2 4.11Å; K83-F120 HydrophobicContact CB-CG 3.72Å; K83-F120 HydrophobicContact CB-CZ 4.36Å; K83-F120 HydrophobicContact CG-CD2 4.11Å; K83-F120 HydrophobicContact CG-CE2 4.38Å; K83-F120 HydrophobicContact CG-CG 4.49Å; F86-F120 HydrophobicContact CB-CE1 4.31Å; F86-F120 HydrophobicContact CB-CE2 4.4Å; F86-F120 HydrophobicContact CB-CZ 3.58Å; F86-F120 HydrophobicContact CD1-CE2 4.04Å; F86-F120 AromaticContact CD1-CZ 3.9Å; F86-F120 HydrophobicContact CD1-CZ 3.9Å; F86-F120 HydrophobicContact CD2-CZ 4.28Å; F86-F120 HydrophobicContact CG-CE2 4.29Å; F86-F120 AromaticContact CG-CZ 3.67Å; F86-F120 HydrophobicContact CG-CZ 3.67Å; I97-F120 HydrophobicContact CG2-CD2 3.93Å; I97-F120 HydrophobicContact CG2-CE2 3.93Å; S98-F120 PolarHBondContact O-N 3Å; E99-F120 WeakPolarHBondContact CA-O 3.35Å; M100-F120 PolarHBondContact N-O 2.89Å; I118-F120 HydrophobicContact CG2-CD2 4.27Å; I118-F120 HydrophobicContact CG2-CE2 3.7Å
121L95Very high94Very high0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-134.7155.3-168.5-37.6172.8000112.2L70 F71 L72 A73 V79 M100 W113 F119 L126L70-L121 HydrophobicContact CD2-CD1 3.75Å; L70-L121 HydrophobicContact CG-CD1 4.39Å; F71-L121 PolarHBondContact O-N 2.73Å; L72-L121 WeakPolarHBondContact CA-O 3.48Å; L72-L121 HydrophobicContact CD2-CB 3.74Å; L72-L121 HydrophobicContact CD2-CD1 3.89Å; L72-L121 HydrophobicContact CD2-CG 4.17Å; A73-L121 PolarHBondContact N-O 3.1Å; A73-L121 VanDerWaalsContact N-O 3.09Å; V79-L121 WeakPolarHBondContact CG2-O 3.48Å; M100-L121 HydrophobicContact CB-CD2 3.74Å; M100-L121 HydrophobicContact CE-CD2 3.46Å; M100-L121 VanDerWaalsContact CE-CD2 3.46Å; M100-L121 HydrophobicContact CG-CD2 4.36Å; M100-L121 WeakPolarHBondContact O-CA 3.44Å; W113-L121 HydrophobicContact CH2-CD1 4.12Å; W113-L121 HydrophobicContact CZ2-CD1 4.16Å; F119-L121 HydrophobicContact CB-CD1 4.38Å; F119-L121 HydrophobicContact CB-CD2 3.73Å; F119-L121 HydrophobicContact CB-CG 4.03Å; L121-L126 HydrophobicContact CD1-CB 3.88Å; L121-L126 HydrophobicContact CD1-CD1 4.02Å; L121-L126 HydrophobicContact CD1-CD2 4.28Å; L121-L126 HydrophobicContact CD1-CG 4.28Å
122T93.1Very high94Very high17 Ų1740.1 Ų40.110%0.10419%0.192CC..  trans-83.6144154.6550000109.9A73 K76 V79 Q124 V125 L126A73-T122 WeakPolarHBondContact O-CA 3.4Å; K76-T122 HydrophobicContact CG-CG2 4.24Å; V79-T122 HydrophobicContact CG2-CG2 3.98Å; T122-Q124 VanDerWaalsContact C-N 3.26Å; T122-Q124 PolarHBondContact O-N 2.86Å; T122-Q124 VanDerWaalsContact O-N 3.16Å; T122-V125 WeakPolarHBondContact O-CB 3.47Å; T122-V125 PolarHBondContact O-N 3.18Å; T122-V125 WeakPolarHBondContact OG1-CG2 3.48Å; T122-L126 PolarHBondContact O-N 2.95Å
123P94.6Very high93.9Very high8 Ų841.8 Ų41.85%0.05222%0.215CC..Hα-helixtrans-58.1-35.6-174.523.3-35000113.7L72 A73 V125 L126 L127 A156 Y157 V160L72-P123 HydrophobicContact CD1-CB 4.38Å; A73-P123 VanDerWaalsContact O-CD 3.3Å; A73-P123 WeakPolarHBondContact O-CD 3.34Å; P123-V125 VanDerWaalsContact C-N 3.27Å; P123-V125 PolarHBondContact O-N 2.9Å; P123-L126 PolarHBondContact O-N 2.87Å; P123-L127 PolarHBondContact O-N 3.43Å; P123-A156 HydrophobicContact CB-CB 3.72Å; P123-A156 HydrophobicContact CG-CB 3.87Å; P123-Y157 HydrophobicContact CB-CD1 3.59Å; P123-Y157 HydrophobicContact CB-CE1 3.77Å; P123-Y157 HydrophobicContact CG-CD1 3.82Å; P123-Y157 HydrophobicContact CG-CE1 3.59Å; P123-V160 HydrophobicContact CB-CG2 4.36Å
124Q92.6Very high93.7Very high96 Ų9643.3 Ų43.345%0.44922%0.223SC..Hα-helixtrans-62.9-32.8177.7-164.86242.700113.3T122 N128T122-Q124 VanDerWaalsContact C-N 3.26Å; T122-Q124 PolarHBondContact O-N 2.86Å; T122-Q124 VanDerWaalsContact O-N 3.16Å; Q124-N128 PolarHBondContact NE2-OD1 2.81Å; Q124-N128 WeakPolarHBondContact O-CB 3.31Å; Q124-N128 PolarHBondContact O-N 2.81Å; Q124-N128 PolarHBondContact O-ND2 3.34Å; Q124-N128 PolarHBondContact O-OD1 3.05Å
125V92.8Very high93.8Very high4 Ų437.9 Ų37.92%0.02420%0.198CC..Hα-helixtrans-69.2-42177.8171.30000110M100 T122 P123 N128 D129M100-V125 HydrophobicContact CB-CG1 4.25Å; T122-V125 WeakPolarHBondContact O-CB 3.47Å; T122-V125 PolarHBondContact O-N 3.18Å; T122-V125 WeakPolarHBondContact OG1-CG2 3.48Å; P123-V125 VanDerWaalsContact C-N 3.27Å; P123-V125 PolarHBondContact O-N 2.9Å; V125-N128 PolarHBondContact O-N 3.43Å; V125-D129 WeakPolarHBondContact O-CB 3.43Å; V125-D129 VanDerWaalsContact O-CG 3.31Å; V125-D129 PolarHBondContact O-N 2.8Å
126L95.5Very high93.8Very high0 Ų032.4 Ų32.40%018%0.178CC..Hα-helixtrans-61.5-47.6175.5-178.757.3000111.1L70 L72 W113 L121 T122 P123 N128 D129 I130 V160L70-L126 HydrophobicContact CD2-CD1 3.78Å; L70-L126 HydrophobicContact CD2-CD2 3.67Å; L70-L126 HydrophobicContact CD2-CG 4.38Å; L72-L126 HydrophobicContact CD1-CD2 4.18Å; L72-L126 HydrophobicContact CD2-CD2 3.99Å; W113-L126 HydrophobicContact CH2-CD1 4.15Å; W113-L126 HydrophobicContact CZ2-CD1 3.97Å; L121-L126 HydrophobicContact CD1-CB 3.88Å; L121-L126 HydrophobicContact CD1-CD1 4.02Å; L121-L126 HydrophobicContact CD1-CD2 4.28Å; L121-L126 HydrophobicContact CD1-CG 4.28Å; T122-L126 PolarHBondContact O-N 2.95Å; P123-L126 PolarHBondContact O-N 2.87Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 2.9Å; L126-D129 PolarHBondContact O-N 2.7Å; L126-D129 VanDerWaalsContact O-N 3.11Å; L126-I130 HydrophobicContact CD1-CD1 3.96Å; L126-I130 HydrophobicContact CD1-CG1 4.08Å; L126-I130 HydrophobicContact CG-CD1 3.8Å; L126-I130 HydrophobicContact CG-CG1 4.36Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.29Å; L126-I130 PolarHBondContact O-N 2.74Å; L126-V160 HydrophobicContact CB-CG2 4.34Å; L126-V160 HydrophobicContact CD2-CB 4.45Å; L126-V160 HydrophobicContact CD2-CG1 3.5Å; L126-V160 HydrophobicContact CD2-CG2 4.01Å; L126-V160 HydrophobicContact CG-CG1 4.36Å; L126-V160 HydrophobicContact CG-CG2 4.27Å
127L94.6Very high93.8Very high14 Ų1431.2 Ų31.27%0.07317%0.173CC..Hα-helixtrans-55.8-46.6175.9-74.8172.7000112.6P123 D129 I130 S131 A156 E159 V160 E163P123-L127 PolarHBondContact O-N 3.43Å; L127-D129 VanDerWaalsContact C-N 3.28Å; L127-D129 PolarHBondContact O-N 3.02Å; L127-I130 PolarHBondContact O-N 2.82Å; L127-S131 WeakPolarHBondContact O-CB 3.13Å; L127-S131 PolarHBondContact O-N 3.49Å; L127-S131 PolarHBondContact O-OG 3.22Å; L127-A156 HydrophobicContact CD1-CB 3.81Å; L127-E159 HydrophobicContact CD1-CB 3.8Å; L127-E159 HydrophobicContact CD2-CB 3.77Å; L127-E159 HydrophobicContact CG-CB 4.42Å; L127-V160 HydrophobicContact CD1-CG2 4.4Å; L127-V160 HydrophobicContact CD2-CB 4.42Å; L127-V160 HydrophobicContact CD2-CG2 3.79Å; L127-V160 HydrophobicContact CG-CG2 3.67Å; L127-E163 HydrophobicContact CD2-CG 4.12Å
128N92.5Very high93.7Very high58 Ų5834.6 Ų34.631%0.3119%0.191SC..Hα-helixtrans-65-32.5179.1-68.2-15.1000112.4Q124 V125 L126 S131 R132Q124-N128 PolarHBondContact NE2-OD1 2.81Å; Q124-N128 WeakPolarHBondContact O-CB 3.31Å; Q124-N128 PolarHBondContact O-N 2.81Å; Q124-N128 PolarHBondContact O-ND2 3.34Å; Q124-N128 PolarHBondContact O-OD1 3.05Å; V125-N128 PolarHBondContact O-N 3.43Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 2.9Å; N128-S131 PolarHBondContact O-OG 3.11Å; N128-S131 VanDerWaalsContact O-OG 3.12Å; N128-R132 WeakPolarHBondContact O-CB 3.4Å; N128-R132 VanDerWaalsContact O-CD 3.29Å; N128-R132 WeakPolarHBondContact O-CD 3.42Å; N128-R132 WeakPolarHBondContact O-CG 3.45Å; N128-R132 PolarHBondContact O-N 2.92Å
129D94.3Very high93.6Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-81.2-30.6179.5-72-4000112.1R109 W113 V125 L126 L127 A133 I134 C135R109-D129 WeakPolarHBondContact CD-OD2 3.29Å; R109-D129 IonicContact CZ-OD1 2.73Å; R109-D129 IonicContact NE-OD1 3.18Å; R109-D129 PolarHBondContact NE-OD1 2.9Å; R109-D129 IonicContact NE-OD2 2.8Å; R109-D129 PolarHBondContact NE-OD2 2.59Å; R109-D129 VanDerWaalsContact NE-OD2 3.12Å; R109-D129 IonicContact NH2-OD1 2.81Å; R109-D129 PolarHBondContact NH2-OD1 2.8Å; W113-D129 PolarHBondContact NE1-OD2 2.65Å; W113-D129 VanDerWaalsContact NE1-OD2 3.08Å; V125-D129 WeakPolarHBondContact O-CB 3.43Å; V125-D129 VanDerWaalsContact O-CG 3.31Å; V125-D129 PolarHBondContact O-N 2.8Å; L126-D129 PolarHBondContact O-N 2.7Å; L126-D129 VanDerWaalsContact O-N 3.11Å; L127-D129 VanDerWaalsContact C-N 3.28Å; L127-D129 PolarHBondContact O-N 3.02Å; D129-A133 PolarHBondContact O-N 2.54Å; D129-I134 PolarHBondContact O-N 3.24Å; D129-C135 HydrophobicContact CB-CB 4.08Å; D129-C135 PolarHBondContact O-N 3.31Å; D129-C135 VanDerWaalsContact O-N 3.11Å
130I94.2Very high93.6Very high7 Ų741.2 Ų41.24%0.03622%0.216CC..Hα-helixtrans-66-50.9170.1-67.1169.1000109.8L126 L127 R132 A133 C135 V137 E163 L164L126-I130 HydrophobicContact CD1-CD1 3.96Å; L126-I130 HydrophobicContact CD1-CG1 4.08Å; L126-I130 HydrophobicContact CG-CD1 3.8Å; L126-I130 HydrophobicContact CG-CG1 4.36Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.29Å; L126-I130 PolarHBondContact O-N 2.74Å; L127-I130 PolarHBondContact O-N 2.82Å; I130-R132 PolarHBondContact O-N 3.45Å; I130-A133 PolarHBondContact O-N 3.32Å; I130-C135 HydrophobicContact CG1-CB 4.09Å; I130-V137 HydrophobicContact CG1-CG2 3.98Å; I130-V137 HydrophobicContact CG2-CG2 4.09Å; I130-E163 HydrophobicContact CD1-CB 4.39Å; I130-E163 HydrophobicContact CG2-CB 4.15Å; I130-L164 HydrophobicContact CD1-CD2 4Å
131S91.3Very high93.6Very high94 Ų9442.1 Ų42.166%0.65722%0.22SC*.Hα-helixtrans-63.9-24.6-178.364.60000113.7L127 N128 A133L127-S131 WeakPolarHBondContact O-CB 3.13Å; L127-S131 PolarHBondContact O-N 3.49Å; L127-S131 PolarHBondContact O-OG 3.22Å; N128-S131 PolarHBondContact O-OG 3.11Å; N128-S131 VanDerWaalsContact O-OG 3.12Å; S131-A133 VanDerWaalsContact C-N 3.35Å
132R91Very high93.8Very high137 Ų13742.1 Ų42.152%0.51722%0.22SC..THydrogen-bonded Turntrans-89.83.8174.6-68173.4-178.1-165.4-3.1113.8N128 I130 I134N128-R132 WeakPolarHBondContact O-CB 3.4Å; N128-R132 VanDerWaalsContact O-CD 3.29Å; N128-R132 WeakPolarHBondContact O-CD 3.42Å; N128-R132 WeakPolarHBondContact O-CG 3.45Å; N128-R132 PolarHBondContact O-N 2.92Å; I130-R132 PolarHBondContact O-N 3.45Å; R132-I134 HydrophobicContact CB-CD1 3.76Å; R132-I134 HydrophobicContact CB-CG1 3.81Å; R132-I134 PolarHBondContact O-N 3Å
133A90.4Very high94Very high90 Ų9041.3 Ų41.374%0.74422%0.215SC*.THydrogen-bonded Turntrans52.634-175.100000113.5D129 I130 S131D129-A133 PolarHBondContact O-N 2.54Å; I130-A133 PolarHBondContact O-N 3.32Å; S131-A133 VanDerWaalsContact C-N 3.35Å
134I91.2Very high94.2Very high36 Ų3641 Ų4119%0.18521%0.213CC..  trans-93.2-36.3176.6-59.3173.8000110.1P106 K110 D129 R132P106-I134 HydrophobicContact CB-CD1 4.45Å; K110-I134 VanDerWaalsContact CA-CG2 3.46Å; K110-I134 HydrophobicContact CB-CG2 3.58Å; K110-I134 HydrophobicContact CG-CG2 3.94Å; D129-I134 PolarHBondContact O-N 3.24Å; R132-I134 HydrophobicContact CB-CD1 3.76Å; R132-I134 HydrophobicContact CB-CG1 3.81Å; R132-I134 PolarHBondContact O-N 3Å
135C93.2Very high94.4Very high8 Ų836.4 Ų36.45%0.05419%0.192CC..SBendtrans-77.6127.1178.3-174.70000110.4W113 D129 I130 V137W113-C135 HydrophobicContact CD2-CB 4.47Å; W113-C135 VanDerWaalsContact CH2-SG 3.56Å; W113-C135 HydrophobicContact CZ2-CB 4.15Å; W113-C135 VanDerWaalsContact CZ2-SG 3.5Å; D129-C135 HydrophobicContact CB-CB 4.08Å; D129-C135 PolarHBondContact O-N 3.31Å; D129-C135 VanDerWaalsContact O-N 3.11Å; I130-C135 HydrophobicContact CG1-CB 4.09Å; C135-V137 VanDerWaalsContact C-N 3.34Å; C135-V137 PolarHBondContact O-N 3.25Å
136P93.6Very high94.5Very high29 Ų2936.4 Ų36.419%0.18819%0.192CC..  trans-78.583.7175.431.9-33.8000110.2K68 W113 E138 R139K68-P136 HydrophobicContact CD-CG 4.49Å; K68-P136 HydrophobicContact CG-CG 4.15Å; W113-P136 HydrophobicContact CE3-CG 4.36Å; P136-E138 VanDerWaalsContact C-N 3.34Å; P136-E138 PolarHBondContact O-N 2.67Å; P136-R139 HydrophobicContact CB-CB 4.29Å; P136-R139 HydrophobicContact CB-CG 4.22Å; P136-R139 WeakPolarHBondContact O-CB 3.41Å; P136-R139 PolarHBondContact O-N 3.43Å; P136-R139 VanDerWaalsContact O-N 3.1Å
137V94.6Very high94.3Very high11 Ų1137 Ų377%0.06719%0.194CC..G310 helixtrans-58.9-41.9-169.3-179.40000112.6I130 C135 R139 I140 L164 Y167I130-V137 HydrophobicContact CG1-CG2 3.98Å; I130-V137 HydrophobicContact CG2-CG2 4.09Å; C135-V137 VanDerWaalsContact C-N 3.34Å; C135-V137 PolarHBondContact O-N 3.25Å; V137-R139 PolarHBondContact O-N 2.9Å; V137-I140 VanDerWaalsContact O-CB 3.3Å; V137-I140 WeakPolarHBondContact O-CB 3.35Å; V137-I140 WeakPolarHBondContact O-CG1 3.42Å; V137-I140 PolarHBondContact O-N 3.49Å; V137-L164 HydrophobicContact CG1-CD2 3.55Å; V137-Y167 HydrophobicContact CB-CD1 4.34Å; V137-Y167 HydrophobicContact CB-CD2 4.12Å; V137-Y167 HydrophobicContact CB-CE2 4.44Å; V137-Y167 HydrophobicContact CB-CG 4.07Å; V137-Y167 HydrophobicContact CG1-CD1 4.41Å; V137-Y167 HydrophobicContact CG1-CD2 3.53Å; V137-Y167 HydrophobicContact CG1-CE2 4.21Å; V137-Y167 HydrophobicContact CG1-CG 3.65Å; V137-Y167 HydrophobicContact CG2-CD2 4.48Å; V137-Y167 HydrophobicContact CG2-CE2 4.37Å
138E92.9Very high94.2Very high116 Ų11636.3 Ų36.354%0.54219%0.191SC..G310 helixtrans-65.9-21.2-178.1-53.582178.600112.5P136 K141 Y167P136-E138 VanDerWaalsContact C-N 3.34Å; P136-E138 PolarHBondContact O-N 2.67Å; E138-K141 PolarHBondContact O-NZ 3.45Å; E138-Y167 HydrophobicContact CG-CD1 4.35Å; E138-Y167 VanDerWaalsContact OE1-CD1 3.26Å; E138-Y167 WeakPolarHBondContact OE1-CD1 3.44Å
139R94.8Very high94.2Very high135 Ų13535 Ų3551%0.50918%0.182SC..G310 helixtrans-86.3-7.7176.6-60.6-171.3-178.4-176.61.1112.5G67 K68 P136 V137 K141G67-R139 CarbonylContact C-O 3.6Å; G67-R139 VanDerWaalsContact CA-O 3.29Å; G67-R139 WeakPolarHBondContact CA-O 3.32Å; K68-R139 HydrophobicContact CG-CB 3.86Å; K68-R139 PolarHBondContact N-O 3.28Å; P136-R139 HydrophobicContact CB-CB 4.29Å; P136-R139 HydrophobicContact CB-CG 4.22Å; P136-R139 WeakPolarHBondContact O-CB 3.41Å; P136-R139 PolarHBondContact O-N 3.43Å; P136-R139 VanDerWaalsContact O-N 3.1Å; V137-R139 PolarHBondContact O-N 2.9Å; R139-K141 PolarHBondContact O-N 3.47Å
140I97Very high94Very high5 Ų538.6 Ų38.63%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-69.9121.5175.6-64.1178.1000109.2K68 L70 V137 L164 F171K68-I140 HydrophobicContact CB-CG1 4.31Å; L70-I140 HydrophobicContact CD1-CB 4.16Å; L70-I140 HydrophobicContact CD1-CD1 4.06Å; L70-I140 HydrophobicContact CD1-CG1 3.71Å; L70-I140 HydrophobicContact CD1-CG2 3.68Å; L70-I140 HydrophobicContact CD2-CD1 3.99Å; V137-I140 VanDerWaalsContact O-CB 3.3Å; V137-I140 WeakPolarHBondContact O-CB 3.35Å; V137-I140 WeakPolarHBondContact O-CG1 3.42Å; V137-I140 PolarHBondContact O-N 3.49Å; I140-L164 HydrophobicContact CD1-CD2 3.59Å; I140-F171 HydrophobicContact CG2-CB 4.45Å
141K97.1Very high94Very high20 Ų2038.3 Ų38.39%0.08719%0.194CC..EExtended strand (participates in β ladder)trans-118.4-21.9-178.5-59-62.5172.1-171.50113.7D5 F60 Y64 K68 E138 R139 F171 R172D5-K141 WeakPolarHBondContact O-CE 3.12Å; D5-K141 PolarHBondContact O-NZ 3.04Å; F60-K141 HydrophobicContact CD1-CB 4.32Å; F60-K141 WeakPolarHBondContact CD1-O 3.42Å; Y64-K141 HydrophobicContact CD1-CB 4.37Å; Y64-K141 HydrophobicContact CD1-CD 3.85Å; Y64-K141 HydrophobicContact CD1-CG 3.7Å; Y64-K141 HydrophobicContact CD2-CB 3.87Å; Y64-K141 HydrophobicContact CD2-CG 4.1Å; Y64-K141 HydrophobicContact CE1-CD 3.9Å; Y64-K141 HydrophobicContact CE1-CG 4.17Å; Y64-K141 HydrophobicContact CE2-CB 4.22Å; Y64-K141 HydrophobicContact CG-CB 3.94Å; Y64-K141 HydrophobicContact CG-CD 4.3Å; Y64-K141 HydrophobicContact CG-CG 3.65Å; K68-K141 PolarHBondContact O-N 3.19Å; E138-K141 PolarHBondContact O-NZ 3.45Å; R139-K141 PolarHBondContact O-N 3.47Å; K141-F171 WeakPolarHBondContact O-CA 3.41Å; K141-R172 PolarHBondContact O-N 2.96Å
142C97.9Very high94Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-145.2134.2176.7177.60000110.8F60 V69 L70 R172F60-C142 HydrophobicContact CB-CB 3.64Å; F60-C142 HydrophobicContact CD1-CB 3.83Å; F60-C142 HydrophobicContact CD2-CB 4.12Å; F60-C142 HydrophobicContact CG-CB 3.58Å; V69-C142 HydrophobicContact CG1-CB 4.09Å; V69-C142 HydrophobicContact CG2-CB 4.31Å; L70-C142 PolarHBondContact N-O 3.42Å; C142-R172 CarbonylContact C-O 3.54Å; C142-R172 WeakPolarHBondContact CA-O 3.16Å
143L98.2Very high93.9Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-129113.1178-175.966.8000109.8L70 L72 V145 V160 I161 L164 R172 V173 L174L70-L143 HydrophobicContact CB-CD1 3.59Å; L70-L143 HydrophobicContact CD2-CD1 4.24Å; L70-L143 HydrophobicContact CG-CD1 4.5Å; L72-L143 HydrophobicContact CD1-CD1 3.71Å; L72-L143 HydrophobicContact CD1-CD2 4.4Å; L72-L143 HydrophobicContact CD1-CG 4.38Å; L72-L143 HydrophobicContact CD2-CD1 4.26Å; L72-L143 HydrophobicContact CG-CD1 3.65Å; L143-V145 HydrophobicContact CD2-CG2 4.31Å; L143-V145 HydrophobicContact CG-CG2 4.19Å; L143-V160 HydrophobicContact CD2-CG1 4.07Å; L143-I161 HydrophobicContact CD2-CD1 3.59Å; L143-L164 HydrophobicContact CD2-CD1 3.89Å; L143-R172 PolarHBondContact N-O 3.29Å; L143-V173 WeakPolarHBondContact O-CA 3.35Å; L143-L174 PolarHBondContact O-N 2.8Å
144V98.3Very high93.8Very high0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-94.1132.5170.4-173.90000109.2A53 M57 L70 F71 L72 L174 L176A53-V144 HydrophobicContact CB-CG1 4.14Å; M57-V144 HydrophobicContact CG-CG2 3.51Å; M57-V144 HydrophobicContact SD-CG2 3.86Å; L70-V144 PolarHBondContact O-N 3.34Å; F71-V144 HydrophobicContact CB-CB 4.46Å; F71-V144 HydrophobicContact CD2-CB 3.64Å; F71-V144 HydrophobicContact CD2-CG1 3.55Å; F71-V144 HydrophobicContact CD2-CG2 4.26Å; F71-V144 HydrophobicContact CE2-CB 4.17Å; F71-V144 HydrophobicContact CE2-CG1 3.53Å; F71-V144 HydrophobicContact CG-CB 4.23Å; F71-V144 HydrophobicContact CG-CG1 4.42Å; F71-V144 HydrophobicContact CZ-CG1 4.36Å; L72-V144 PolarHBondContact N-O 3.27Å; V144-L174 CarbonylContact C-O 3.55Å; V144-L174 VanDerWaalsContact CA-O 3.26Å; V144-L174 WeakPolarHBondContact CA-O 3.36Å; V144-L174 HydrophobicContact CG1-CB 4.48Å; V144-L174 HydrophobicContact CG1-CD2 4.25Å; V144-L174 HydrophobicContact CG1-CG 4.35Å; V144-L174 HydrophobicContact CG2-CB 4.24Å; V144-L174 HydrophobicContact CG2-CD2 4.2Å; V144-L176 HydrophobicContact CG1-CD1 3.64Å; V144-L176 HydrophobicContact CG1-CG 4.12Å
145V97.4Very high93.8Very high1 Ų134.8 Ų34.81%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-119110.1178.3-179.40000109.2L143 Y157 L174 L176 L194L143-V145 HydrophobicContact CD2-CG2 4.31Å; L143-V145 HydrophobicContact CG-CG2 4.19Å; V145-Y157 HydrophobicContact CG1-CD1 3.88Å; V145-Y157 HydrophobicContact CG1-CD2 3.57Å; V145-Y157 HydrophobicContact CG1-CE1 3.92Å; V145-Y157 HydrophobicContact CG1-CE2 3.56Å; V145-Y157 HydrophobicContact CG1-CG 3.73Å; V145-L174 PolarHBondContact N-O 3.26Å; V145-L176 PolarHBondContact O-N 2.5Å; V145-L194 HydrophobicContact CG1-CD1 4.31Å; V145-L194 HydrophobicContact CG2-CD2 4.37Å
146D94.5Very high93.8Very high4 Ų435 Ų352%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-84.9151.5175.6-157.712.3000111.7F71 L72 A73 Q82 A148 Y157F71-D146 HydrophobicContact CE1-CB 3.76Å; F71-D146 HydrophobicContact CZ-CB 3.78Å; L72-D146 WeakPolarHBondContact O-CB 2.82Å; L72-D146 PolarHBondContact O-N 3.28Å; A73-D146 HydrophobicContact CB-CB 4.36Å; Q82-D146 PolarHBondContact NE2-OD2 2.91Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 2.79Å; D146-Y157 WeakPolarHBondContact O-CE2 3.39Å; D146-Y157 PolarHBondContact O-OH 3.07Å
147E90.9Very high94Very high12 Ų1233.8 Ų33.86%0.05617%0.171CC..SBendtrans52.347.6-172.8-57.7-65.5172.500112.4P74 L78 H149 R150 L176 Q514P74-E147 HydrophobicContact CG-CB 4.26Å; P74-E147 HydrophobicContact CG-CG 4.18Å; L78-E147 HydrophobicContact CD2-CG 4.19Å; E147-H149 PolarHBondContact O-N 2.82Å; E147-H149 IonicContact OE2-CE1 3.36Å; E147-H149 PolarHBondContact OE2-CE1 3.17Å; E147-H149 IonicContact OE2-ND1 2.7Å; E147-R150 HydrophobicContact CB-CG 4.49Å; E147-R150 WeakPolarHBondContact O-CB 3.37Å; E147-R150 WeakPolarHBondContact O-CG 3.43Å; E147-R150 PolarHBondContact O-N 3.1Å; E147-L176 PolarHBondContact N-O 3.05Å; E147-Q514 PolarHBondContact OE2-NE2 3.11Å
148A94.2Very high94Very high0 Ų033.3 Ų33.30%017%0.168CC..G310 helixtrans-59.6-21.5-170.700000115.1L40 D146 R150 A151 A175 L176 V190 L194L40-A148 HydrophobicContact CD1-CB 3.91Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 2.79Å; A148-R150 PolarHBondContact O-N 3.49Å; A148-A151 VanDerWaalsContact O-CB 3.29Å; A148-A151 WeakPolarHBondContact O-CB 3.48Å; A148-A151 PolarHBondContact O-N 3.36Å; A148-A175 HydrophobicContact CB-CB 3.69Å; A148-L176 WeakPolarHBondContact CB-O 3.33Å; A148-L176 PolarHBondContact N-O 3.47Å; A148-V190 HydrophobicContact CB-CG1 4.47Å; A148-V190 WeakPolarHBondContact O-CG1 3.45Å; A148-L194 HydrophobicContact CB-CD1 3.87Å
149H91Very high94.2Very high29 Ų2930.9 Ų30.913%0.13416%0.156CC..G310 helixtrans-58.4-17172.667.8-91.6000113.3E147 A151 S177 S179 Q514E147-H149 PolarHBondContact O-N 2.82Å; E147-H149 IonicContact OE2-CE1 3.36Å; E147-H149 PolarHBondContact OE2-CE1 3.17Å; E147-H149 IonicContact OE2-ND1 2.7Å; H149-A151 VanDerWaalsContact C-N 3.32Å; H149-S177 PolarHBondContact ND1-OG 3.49Å; H149-S179 WeakPolarHBondContact CB-O 3.39Å; H149-Q514 PolarHBondContact CE1-NE2 3.25Å
150R90.3Very high94.2Very high77 Ų7724.4 Ų24.429%0.29113%0.132SC..G310 helixtrans-76.6-13.8173.9-63.4-173.4176-1604113.8E147 A148 T152 H155 Y157 E490E147-R150 HydrophobicContact CB-CG 4.49Å; E147-R150 WeakPolarHBondContact O-CB 3.37Å; E147-R150 WeakPolarHBondContact O-CG 3.43Å; E147-R150 PolarHBondContact O-N 3.1Å; A148-R150 PolarHBondContact O-N 3.49Å; R150-T152 PolarHBondContact O-N 3.1Å; R150-H155 WeakPolarHBondContact O-CB 3.28Å; R150-Y157 HydrophobicContact CB-CE2 4.38Å; R150-E490 IonicContact NH2-OE1 3.12Å; R150-E490 PolarHBondContact NH2-OE1 3.49Å
151A93.8Very high94.2Very high0 Ų024.3 Ų24.30%013%0.132CC..  trans-7656.9-177.500000112.9A148 H149 Y157 N193 L194A148-A151 VanDerWaalsContact O-CB 3.29Å; A148-A151 WeakPolarHBondContact O-CB 3.48Å; A148-A151 PolarHBondContact O-N 3.36Å; H149-A151 VanDerWaalsContact C-N 3.32Å; A151-Y157 HydrophobicContact CB-CD2 4.18Å; A151-N193 PolarHBondContact O-ND2 2.9Å; A151-L194 HydrophobicContact CB-CD1 3.74Å; A151-L194 HydrophobicContact CB-CD2 3.78Å; A151-L194 HydrophobicContact CB-CG 3.73Å
152T91.7Very high94.1Very high47 Ų4728.9 Ų28.929%0.28815%0.148SC..SBendtrans-122.8156177.658.40000110.5R150 N154 H155 A186 Q189 V190R150-T152 PolarHBondContact O-N 3.1Å; T152-N154 PolarHBondContact O-N 3.32Å; T152-H155 WeakPolarHBondContact O-CB 3.26Å; T152-H155 PolarHBondContact O-N 3.4Å; T152-A186 HydrophobicContact CG2-CB 4.4Å; T152-Q189 HydrophobicContact CG2-CB 4.01Å; T152-V190 HydrophobicContact CG2-CG2 3.8Å
153G89.2Confident94Very high42 Ų4231.5 Ų31.543%0.43316%0.161SC..THydrogen-bonded Turntrans50.5-129.5-178.300000113.8H155G153-H155 VanDerWaalsContact C-N 3.33Å; G153-H155 PolarHBondContact O-N 2.95Å
154N87.7Confident93.9Very high140 Ų14031.7 Ų31.775%0.74916%0.161SC*.THydrogen-bonded Turntrans-94.829.9-177.5-60.4-22.5000112.9T152T152-N154 PolarHBondContact O-N 3.32Å
155H92Very high93.7Very high54 Ų5434.9 Ų34.925%0.2518%0.178CC..  trans-65.5145.3174.6-169.4-97.7000110.7R150 T152 G153 Y157 C158 E159R150-H155 WeakPolarHBondContact O-CB 3.28Å; T152-H155 WeakPolarHBondContact O-CB 3.26Å; T152-H155 PolarHBondContact O-N 3.4Å; G153-H155 VanDerWaalsContact C-N 3.33Å; G153-H155 PolarHBondContact O-N 2.95Å; H155-Y157 AromaticContact CE1-CD2 3.26Å; H155-Y157 WeakPolarHBondContact CE1-CD2 3.5Å; H155-Y157 AromaticContact CE1-CE2 3.54Å; H155-Y157 AromaticContact CE1-CG 3.59Å; H155-Y157 AromaticContact ND1-CD2 3.2Å; H155-Y157 WeakPolarHBondContact ND1-CD2 3.28Å; H155-Y157 AromaticContact ND1-CE2 3.97Å; H155-Y157 AromaticContact ND1-CG 3.35Å; H155-Y157 VanDerWaalsContact ND1-CG 3.35Å; H155-Y157 PolarHBondContact ND1-N 3.12Å; H155-Y157 PolarHBondContact O-N 3.15Å; H155-C158 WeakPolarHBondContact O-CB 3.4Å; H155-C158 PolarHBondContact O-N 3.36Å; H155-E159 PolarHBondContact O-N 3.07Å
156A93.6Very high93.6Very high14 Ų1441.6 Ų41.612%0.11621%0.207CC..Hα-helixtrans-56.8-26.7-177.400000113.6P123 L127 E159 V160P123-A156 HydrophobicContact CB-CB 3.72Å; P123-A156 HydrophobicContact CG-CB 3.87Å; L127-A156 HydrophobicContact CD1-CB 3.81Å; A156-E159 PolarHBondContact O-N 3.23Å; A156-V160 WeakPolarHBondContact O-CG2 3.37Å; A156-V160 PolarHBondContact O-N 3.49Å
157Y96.3Very high93.5Very high2 Ų247 Ų471%0.00823%0.228CC..Hα-helixtrans-60-44.1171.6-66.2-32.8000112.8L72 A73 P74 P123 V145 D146 R150 A151 H155 E159 V160 I161L72-Y157 HydrophobicContact CB-CD1 4.35Å; L72-Y157 HydrophobicContact CB-CE1 3.74Å; L72-Y157 HydrophobicContact CD1-CD1 4.1Å; L72-Y157 HydrophobicContact CD1-CE1 4.3Å; A73-Y157 WeakPolarHBondContact CA-OH 3.36Å; P74-Y157 WeakPolarHBondContact CD-OH 3.44Å; P74-Y157 VanDerWaalsContact N-OH 3.15Å; P123-Y157 HydrophobicContact CB-CD1 3.59Å; P123-Y157 HydrophobicContact CB-CE1 3.77Å; P123-Y157 HydrophobicContact CG-CD1 3.82Å; P123-Y157 HydrophobicContact CG-CE1 3.59Å; V145-Y157 HydrophobicContact CG1-CD1 3.88Å; V145-Y157 HydrophobicContact CG1-CD2 3.57Å; V145-Y157 HydrophobicContact CG1-CE1 3.92Å; V145-Y157 HydrophobicContact CG1-CE2 3.56Å; V145-Y157 HydrophobicContact CG1-CG 3.73Å; D146-Y157 WeakPolarHBondContact O-CE2 3.39Å; D146-Y157 PolarHBondContact O-OH 3.07Å; R150-Y157 HydrophobicContact CB-CE2 4.38Å; A151-Y157 HydrophobicContact CB-CD2 4.18Å; H155-Y157 AromaticContact CE1-CD2 3.26Å; H155-Y157 WeakPolarHBondContact CE1-CD2 3.5Å; H155-Y157 AromaticContact CE1-CE2 3.54Å; H155-Y157 AromaticContact CE1-CG 3.59Å; H155-Y157 AromaticContact ND1-CD2 3.2Å; H155-Y157 WeakPolarHBondContact ND1-CD2 3.28Å; H155-Y157 AromaticContact ND1-CE2 3.97Å; H155-Y157 AromaticContact ND1-CG 3.35Å; H155-Y157 VanDerWaalsContact ND1-CG 3.35Å; H155-Y157 PolarHBondContact ND1-N 3.12Å; H155-Y157 PolarHBondContact O-N 3.15Å; Y157-E159 VanDerWaalsContact C-N 3.32Å; Y157-V160 PolarHBondContact O-N 2.69Å; Y157-I161 WeakPolarHBondContact O-CG1 3.29Å; Y157-I161 PolarHBondContact O-N 2.93Å; Y157-I161 VanDerWaalsContact O-N 3.16Å
158C96.1Very high93.4Very high1 Ų148 Ų481%0.00724%0.242CC..Hα-helixtrans-66.3-39.4179.8-49.50000110.7H155 I161 R162 N193H155-C158 WeakPolarHBondContact O-CB 3.4Å; H155-C158 PolarHBondContact O-N 3.36Å; C158-I161 PolarHBondContact O-N 3.06Å; C158-R162 WeakPolarHBondContact O-CG 3.45Å; C158-R162 PolarHBondContact O-N 3.33Å; C158-R162 PolarHBondContact O-NE 3.28Å; C158-N193 HydrophobicContact CB-CB 4.3Å; C158-N193 PolarHBondContact SG-ND2 2.92Å; C158-N193 VanDerWaalsContact SG-ND2 3.4Å
159E95.5Very high93.1Very high65 Ų6553.7 Ų53.730%0.30427%0.273SS..Hα-helixtrans-64.5-42.4175.5-70.1179.9-165.200111.5L127 H155 A156 Y157 I161 R162 E163L127-E159 HydrophobicContact CD1-CB 3.8Å; L127-E159 HydrophobicContact CD2-CB 3.77Å; L127-E159 HydrophobicContact CG-CB 4.42Å; H155-E159 PolarHBondContact O-N 3.07Å; A156-E159 PolarHBondContact O-N 3.23Å; Y157-E159 VanDerWaalsContact C-N 3.32Å; E159-I161 VanDerWaalsContact C-N 3.35Å; E159-I161 PolarHBondContact O-N 3.25Å; E159-R162 PolarHBondContact O-N 3.38Å; E159-E163 WeakPolarHBondContact O-CG 3.43Å; E159-E163 PolarHBondContact O-N 3.15Å
160V96.7Very high93.1Very high0 Ų058.3 Ų58.30%029%0.292CS..Hα-helixtrans-56.3-51.8176.41650000109.9L72 P123 L126 L127 L143 A156 Y157 R162 E163 L164L72-V160 HydrophobicContact CD1-CG1 4.22Å; L72-V160 HydrophobicContact CD1-CG2 4.43Å; P123-V160 HydrophobicContact CB-CG2 4.36Å; L126-V160 HydrophobicContact CB-CG2 4.34Å; L126-V160 HydrophobicContact CD2-CB 4.45Å; L126-V160 HydrophobicContact CD2-CG1 3.5Å; L126-V160 HydrophobicContact CD2-CG2 4.01Å; L126-V160 HydrophobicContact CG-CG1 4.36Å; L126-V160 HydrophobicContact CG-CG2 4.27Å; L127-V160 HydrophobicContact CD1-CG2 4.4Å; L127-V160 HydrophobicContact CD2-CB 4.42Å; L127-V160 HydrophobicContact CD2-CG2 3.79Å; L127-V160 HydrophobicContact CG-CG2 3.67Å; L143-V160 HydrophobicContact CD2-CG1 4.07Å; A156-V160 WeakPolarHBondContact O-CG2 3.37Å; A156-V160 PolarHBondContact O-N 3.49Å; Y157-V160 PolarHBondContact O-N 2.69Å; V160-R162 VanDerWaalsContact C-N 3.31Å; V160-R162 PolarHBondContact O-N 3.08Å; V160-E163 PolarHBondContact O-N 2.99Å; V160-L164 HydrophobicContact CG1-CD1 3.94Å; V160-L164 HydrophobicContact CG1-CG 4.2Å; V160-L164 VanDerWaalsContact O-CG 3.3Å; V160-L164 WeakPolarHBondContact O-CG 3.29Å; V160-L164 PolarHBondContact O-N 3.42Å
161I96.7Very high93.4Very high3 Ų355.5 Ų55.52%0.01528%0.282CS..Hα-helixtrans-60.1-43.4-179-63.1-66.5000111.1L143 Y157 C158 E159 E163 L164 L165 F171 V173 N193 L194 L195L143-I161 HydrophobicContact CD2-CD1 3.59Å; Y157-I161 WeakPolarHBondContact O-CG1 3.29Å; Y157-I161 PolarHBondContact O-N 2.93Å; Y157-I161 VanDerWaalsContact O-N 3.16Å; C158-I161 PolarHBondContact O-N 3.06Å; E159-I161 VanDerWaalsContact C-N 3.35Å; E159-I161 PolarHBondContact O-N 3.25Å; I161-E163 VanDerWaalsContact C-N 3.34Å; I161-E163 PolarHBondContact O-N 3.42Å; I161-L164 PolarHBondContact O-N 3.16Å; I161-L165 HydrophobicContact CG2-CD1 3.94Å; I161-L165 HydrophobicContact CG2-CG 4.35Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.45Å; I161-L165 PolarHBondContact O-N 2.73Å; I161-F171 HydrophobicContact CD1-CE2 4.08Å; I161-V173 HydrophobicContact CD1-CG2 3.99Å; I161-N193 WeakPolarHBondContact CB-O 3.48Å; I161-N193 WeakPolarHBondContact CG2-O 3.43Å; I161-L194 HydrophobicContact CG1-CD2 3.98Å; I161-L195 HydrophobicContact CG2-CD1 3.82Å; I161-L195 HydrophobicContact CG2-CG 3.89Å
162R95.1Very high93.6Very high116 Ų11657.9 Ų57.944%0.43829%0.291SS..Hα-helixtrans-60.6-41.2176.8-77.9-174.9-84.8125-11.7112.6C158 E159 V160C158-R162 WeakPolarHBondContact O-CG 3.45Å; C158-R162 PolarHBondContact O-N 3.33Å; C158-R162 PolarHBondContact O-NE 3.28Å; E159-R162 PolarHBondContact O-N 3.38Å; V160-R162 VanDerWaalsContact C-N 3.31Å; V160-R162 PolarHBondContact O-N 3.08Å
163E94.9Very high93.9Very high55 Ų5555.7 Ų55.726%0.25728%0.278SS..Hα-helixtrans-68.6-41.3176.3-69.9-54129.600112L127 I130 E159 V160 I161 L165 K166 Y167L127-E163 HydrophobicContact CD2-CG 4.12Å; I130-E163 HydrophobicContact CD1-CB 4.39Å; I130-E163 HydrophobicContact CG2-CB 4.15Å; E159-E163 WeakPolarHBondContact O-CG 3.43Å; E159-E163 PolarHBondContact O-N 3.15Å; V160-E163 PolarHBondContact O-N 2.99Å; I161-E163 VanDerWaalsContact C-N 3.34Å; I161-E163 PolarHBondContact O-N 3.42Å; E163-L165 VanDerWaalsContact C-N 3.34Å; E163-L165 PolarHBondContact O-N 3Å; E163-K166 WeakPolarHBondContact O-CB 3.44Å; E163-K166 PolarHBondContact O-N 2.9Å; E163-K166 WeakPolarHBondContact OE1-CE 3.49Å; E163-K166 IonicContact OE1-NZ 3.6Å; E163-K166 PolarHBondContact OE1-NZ 3.25Å; E163-K166 WeakPolarHBondContact OE2-CE 3.08Å; E163-K166 IonicContact OE2-NZ 2.65Å; E163-K166 PolarHBondContact OE2-NZ 3Å; E163-Y167 WeakPolarHBondContact O-CD2 3.4Å
164L95.8Very high94.3Very high3 Ų353.7 Ų53.72%0.01626%0.257CS..Hα-helixtrans-62.5-40.7176.9-65.7-178.5000112I130 V137 I140 L143 V160 I161 K166 Y167 F171I130-L164 HydrophobicContact CD1-CD2 4Å; V137-L164 HydrophobicContact CG1-CD2 3.55Å; I140-L164 HydrophobicContact CD1-CD2 3.59Å; L143-L164 HydrophobicContact CD2-CD1 3.89Å; V160-L164 HydrophobicContact CG1-CD1 3.94Å; V160-L164 HydrophobicContact CG1-CG 4.2Å; V160-L164 VanDerWaalsContact O-CG 3.3Å; V160-L164 WeakPolarHBondContact O-CG 3.29Å; V160-L164 PolarHBondContact O-N 3.42Å; I161-L164 PolarHBondContact O-N 3.16Å; L164-K166 PolarHBondContact O-N 3.04Å; L164-K166 VanDerWaalsContact O-N 3.16Å; L164-Y167 PolarHBondContact O-N 2.85Å; L164-F171 HydrophobicContact CB-CD1 4.5Å; L164-F171 HydrophobicContact CB-CE1 3.7Å; L164-F171 HydrophobicContact CB-CZ 3.74Å; L164-F171 HydrophobicContact CD1-CD2 4.46Å; L164-F171 HydrophobicContact CD1-CE1 4.46Å; L164-F171 HydrophobicContact CD1-CE2 4.08Å; L164-F171 HydrophobicContact CD1-CZ 4.09Å
165L95.5Very high94.8Very high68 Ų6847 Ų4736%0.35622%0.221SC..Hα-helixtrans-61-24.9-178.7-77.9167.9000113.9I161 E163 Y167 G168 N169 L195I161-L165 HydrophobicContact CG2-CD1 3.94Å; I161-L165 HydrophobicContact CG2-CG 4.35Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.45Å; I161-L165 PolarHBondContact O-N 2.73Å; E163-L165 VanDerWaalsContact C-N 3.34Å; E163-L165 PolarHBondContact O-N 3Å; L165-Y167 PolarHBondContact O-N 3.32Å; L165-G168 PolarHBondContact O-N 3.22Å; L165-G168 VanDerWaalsContact O-N 3.16Å; L165-N169 HydrophobicContact CD2-CB 3.99Å; L165-L195 HydrophobicContact CD1-CD1 4.05Å; L165-L195 HydrophobicContact CD1-CD2 4.19Å; L165-L195 HydrophobicContact CD2-CD1 3.67Å; L165-L195 HydrophobicContact CG-CD1 4.1Å
166K94.5Very high95Very high141 Ų14144.5 Ų44.561%0.61321%0.21SC*.THydrogen-bonded Turntrans-62.8-23.9175-62.5177.8-172.9169.70112.8E163 L164E163-K166 WeakPolarHBondContact O-CB 3.44Å; E163-K166 PolarHBondContact O-N 2.9Å; E163-K166 WeakPolarHBondContact OE1-CE 3.49Å; E163-K166 IonicContact OE1-NZ 3.6Å; E163-K166 PolarHBondContact OE1-NZ 3.25Å; E163-K166 WeakPolarHBondContact OE2-CE 3.08Å; E163-K166 IonicContact OE2-NZ 2.65Å; E163-K166 PolarHBondContact OE2-NZ 3Å; L164-K166 PolarHBondContact O-N 3.04Å; L164-K166 VanDerWaalsContact O-N 3.16Å
167Y91.8Very high94.9Very high117 Ų11743.9 Ų43.946%0.45920%0.204SC..THydrogen-bonded Turntrans-102.94.2-179.4-61.2-95.2000112.4V137 E138 E163 L164 L165V137-Y167 HydrophobicContact CB-CD1 4.34Å; V137-Y167 HydrophobicContact CB-CD2 4.12Å; V137-Y167 HydrophobicContact CB-CE2 4.44Å; V137-Y167 HydrophobicContact CB-CG 4.07Å; V137-Y167 HydrophobicContact CG1-CD1 4.41Å; V137-Y167 HydrophobicContact CG1-CD2 3.53Å; V137-Y167 HydrophobicContact CG1-CE2 4.21Å; V137-Y167 HydrophobicContact CG1-CG 3.65Å; V137-Y167 HydrophobicContact CG2-CD2 4.48Å; V137-Y167 HydrophobicContact CG2-CE2 4.37Å; E138-Y167 HydrophobicContact CG-CD1 4.35Å; E138-Y167 VanDerWaalsContact OE1-CD1 3.26Å; E138-Y167 WeakPolarHBondContact OE1-CD1 3.44Å; E163-Y167 WeakPolarHBondContact O-CD2 3.4Å; L164-Y167 PolarHBondContact O-N 2.85Å; L165-Y167 PolarHBondContact O-N 3.32Å
168G90.1Very high94.4Very high34 Ų3444.1 Ų44.135%0.35121%0.207SC..  trans117.5173.5-179.200000113.4L165 F171L165-G168 PolarHBondContact O-N 3.22Å; L165-G168 VanDerWaalsContact O-N 3.16Å; G168-F171 WeakPolarHBondContact O-CE1 3Å
169N88Confident93.8Very high120 Ų12044.9 Ų44.964%0.64221%0.212SC*.SBendtrans-11312-175.663.6-4000113.2L165 F171L165-N169 HydrophobicContact CD2-CB 3.99Å; N169-F171 PolarHBondContact O-N 3.4Å
170K90.7Very high93.3Very high125 Ų12543.3 Ų43.354%0.54321%0.208SC..  trans-8251.8-177.1-62.5-171.2-178.2-176.30112.7D5D5-K170 IonicContact OD1-NZ 4Å; D5-K170 PolarHBondContact OD1-NZ 3.47Å; D5-K170 WeakPolarHBondContact OD2-CD 3.46Å; D5-K170 IonicContact OD2-NZ 3.59Å; D5-K170 PolarHBondContact OD2-NZ 3.05Å
171F95.5Very high92.8Very high19 Ų1943.9 Ų43.98%0.08321%0.213CC..SBendtrans-139.6146.2173.761.7-91.8000111.1I140 K141 I161 L164 G168 N169 V173 L195I140-F171 HydrophobicContact CG2-CB 4.45Å; K141-F171 WeakPolarHBondContact O-CA 3.41Å; I161-F171 HydrophobicContact CD1-CE2 4.08Å; L164-F171 HydrophobicContact CB-CD1 4.5Å; L164-F171 HydrophobicContact CB-CE1 3.7Å; L164-F171 HydrophobicContact CB-CZ 3.74Å; L164-F171 HydrophobicContact CD1-CD2 4.46Å; L164-F171 HydrophobicContact CD1-CE1 4.46Å; L164-F171 HydrophobicContact CD1-CE2 4.08Å; L164-F171 HydrophobicContact CD1-CZ 4.09Å; G168-F171 WeakPolarHBondContact O-CE1 3Å; N169-F171 PolarHBondContact O-N 3.4Å; F171-V173 HydrophobicContact CD2-CG2 3.82Å; F171-V173 HydrophobicContact CE2-CG2 3.55Å; F171-L195 HydrophobicContact CZ-CD1 4.24Å
172R97.5Very high92.1Very high49 Ų4947.5 Ų47.519%0.18524%0.237CC..EExtended strand (participates in β ladder)trans-84136.1176.4178.661.363.6-138.9-0.2110.9A34 L35 F36 F37 N38 F60 K141 C142 L143A34-R172 VanDerWaalsContact O-CD 3.31Å; A34-R172 WeakPolarHBondContact O-CD 3.36Å; L35-R172 PolarHBondContact O-NE 3.11Å; L35-R172 VanDerWaalsContact O-NE 3.14Å; L35-R172 PolarHBondContact O-NH2 3.35Å; F36-R172 VanDerWaalsContact C-CZ 3.4Å; F36-R172 VanDerWaalsContact O-CZ 3.27Å; F36-R172 PolarHBondContact O-NH1 3.3Å; F36-R172 PolarHBondContact O-NH2 3.47Å; F37-R172 WeakPolarHBondContact O-CD 3.43Å; N38-R172 WeakPolarHBondContact OD1-CD 3.29Å; N38-R172 PolarHBondContact OD1-NH1 3.23Å; F60-R172 HydrophobicContact CD1-CB 4.45Å; F60-R172 HydrophobicContact CE1-CB 3.64Å; F60-R172 HydrophobicContact CE1-CG 4.46Å; F60-R172 HydrophobicContact CE2-CB 3.87Å; F60-R172 HydrophobicContact CE2-CG 3.79Å; F60-R172 HydrophobicContact CZ-CB 3.32Å; F60-R172 HydrophobicContact CZ-CG 3.67Å; K141-R172 PolarHBondContact O-N 2.96Å; C142-R172 CarbonylContact C-O 3.54Å; C142-R172 WeakPolarHBondContact CA-O 3.16Å; L143-R172 PolarHBondContact N-O 3.29Å
173V98.2Very high91.7Very high1 Ų146.3 Ų46.31%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-110.5126.3168.9-175.30000110.5N38 T39 L143 I161 F171 L194N38-V173 CarbonylContact C-O 3.52Å; N38-V173 WeakPolarHBondContact CA-O 3.44Å; N38-V173 HydrophobicContact CB-CB 4.29Å; N38-V173 PolarHBondContact OD1-N 2.88Å; T39-V173 PolarHBondContact N-O 2.84Å; L143-V173 WeakPolarHBondContact O-CA 3.35Å; I161-V173 HydrophobicContact CD1-CG2 3.99Å; F171-V173 HydrophobicContact CD2-CG2 3.82Å; F171-V173 HydrophobicContact CE2-CG2 3.55Å; V173-L194 HydrophobicContact CG1-CB 4.34Å; V173-L194 WeakPolarHBondContact CG1-O 3.44Å
174L98.5Very high91.5Very high0 Ų047.8 Ų47.80%026%0.261CS..EExtended strand (participates in β ladder)trans-116.2111.2168.1173.863.9000108.7A34 V41 I52 A53 V56 L143 V144 V145 L176A34-L174 HydrophobicContact CB-CD1 3.91Å; V41-L174 HydrophobicContact CG2-CD1 3.66Å; I52-L174 HydrophobicContact CG2-CD2 4.33Å; A53-L174 HydrophobicContact CB-CD2 4.42Å; V56-L174 HydrophobicContact CB-CD2 3.96Å; V56-L174 HydrophobicContact CG1-CD2 4.23Å; V56-L174 HydrophobicContact CG2-CD2 4Å; L143-L174 PolarHBondContact O-N 2.8Å; V144-L174 CarbonylContact C-O 3.55Å; V144-L174 VanDerWaalsContact CA-O 3.26Å; V144-L174 WeakPolarHBondContact CA-O 3.36Å; V144-L174 HydrophobicContact CG1-CB 4.48Å; V144-L174 HydrophobicContact CG1-CD2 4.25Å; V144-L174 HydrophobicContact CG1-CG 4.35Å; V144-L174 HydrophobicContact CG2-CB 4.24Å; V144-L174 HydrophobicContact CG2-CD2 4.2Å; V145-L174 PolarHBondContact N-O 3.26Å; L174-L176 HydrophobicContact CD1-CD2 3.98Å; L174-L176 HydrophobicContact CD2-CD2 4.1Å; L174-L176 HydrophobicContact CG-CD2 3.86Å; L174-L176 HydrophobicContact CG-CG 4.29Å
175A97.7Very high91.3Very high0 Ų055.2 Ų55.20%029%0.293CS..EExtended strand (participates in β ladder)trans-99.2129.8178.800000109.7T39 L40 V41 A148 L194T39-A175 PolarHBondContact O-N 3.18Å; L40-A175 WeakPolarHBondContact CA-O 3.1Å; L40-A175 HydrophobicContact CB-CB 4.35Å; L40-A175 HydrophobicContact CD1-CB 3.59Å; V41-A175 PolarHBondContact N-O 2.9Å; A148-A175 HydrophobicContact CB-CB 3.69Å; A175-L194 HydrophobicContact CB-CD1 3.62Å
176L95.7Very high91.1Very high1 Ų152.6 Ų52.61%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-119.8131.6-176.7-55.8174.5000109.9V41 K49 A53 F71 V144 V145 E147 A148 L174V41-L176 HydrophobicContact CB-CD2 3.86Å; V41-L176 HydrophobicContact CG1-CD2 4.41Å; V41-L176 HydrophobicContact CG2-CD2 4.2Å; K49-L176 HydrophobicContact CD-CB 4.39Å; A53-L176 HydrophobicContact CB-CD1 3.75Å; F71-L176 HydrophobicContact CE2-CD1 4.3Å; V144-L176 HydrophobicContact CG1-CD1 3.64Å; V144-L176 HydrophobicContact CG1-CG 4.12Å; V145-L176 PolarHBondContact O-N 2.5Å; E147-L176 PolarHBondContact N-O 3.05Å; A148-L176 WeakPolarHBondContact CB-O 3.33Å; A148-L176 PolarHBondContact N-O 3.47Å; L174-L176 HydrophobicContact CD1-CD2 3.98Å; L174-L176 HydrophobicContact CD2-CD2 4.1Å; L174-L176 HydrophobicContact CG-CD2 3.86Å; L174-L176 HydrophobicContact CG-CG 4.29Å
177S92Very high91Very high1 Ų147.1 Ų47.11%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-152.8156.4174.8-163.10000112.6V41 T42 L43 H149 S179V41-S177 PolarHBondContact O-N 3.02Å; T42-S177 WeakPolarHBondContact CA-O 3.36Å; L43-S177 PolarHBondContact N-O 3.09Å; H149-S177 PolarHBondContact ND1-OG 3.49Å; S177-S179 WeakPolarHBondContact CB-O 3.37Å; S177-S179 PolarHBondContact OG-N 3.36Å; S177-S179 PolarHBondContact OG-O 2.99Å
178A85.6Confident91.2Very high8 Ų847 Ų477%0.06626%0.264CS..SBendtrans-81.3-24.5169.300000113L43 Q514L43-A178 WeakPolarHBondContact O-CA 3.47Å; A178-Q514 HydrophobicContact CB-CG 4.45Å
179S84.3Confident91.4Very high16 Ų1648.7 Ų48.711%0.11226%0.263CS..SBendtrans-139.1142.8177.6165.60000108.1H149 S177 G181H149-S179 WeakPolarHBondContact CB-O 3.39Å; S177-S179 WeakPolarHBondContact CB-O 3.37Å; S177-S179 PolarHBondContact OG-N 3.36Å; S177-S179 PolarHBondContact OG-O 2.99Å; S179-G181 PolarHBondContact O-N 3.41Å; S179-G181 PolarHBondContact OG-N 3.42Å; S179-G181 PolarHBondContact OG-O 3.42Å
180P84.6Confident91.8Very high33 Ų3343 Ų4321%0.21423%0.232CC..SBendtrans-72.5-21.5-179.131.8-32.6000111.5T42 V187T42-P180 HydrophobicContact CG2-CG 4.49Å; P180-V187 HydrophobicContact CB-CG1 4.17Å; P180-V187 HydrophobicContact CB-CG2 3.86Å; P180-V187 HydrophobicContact CG-CG2 4.14Å
181G85.3Confident92.1Very high11 Ų1138.4 Ų38.411%0.11321%0.213CC..  trans150.5169.6-176.600000111.3S179S179-G181 PolarHBondContact O-N 3.41Å; S179-G181 PolarHBondContact OG-N 3.42Å; S179-G181 PolarHBondContact OG-O 3.42Å
182P82.7Confident92.1Very high80 Ų8041.2 Ų41.252%0.51924%0.235SC..SBendtrans-76-21.4-177.730.1-36.9000114.3A186 V510P182-A186 HydrophobicContact CG-CB 4Å; P182-V510 HydrophobicContact CB-CG2 4.28Å
183N86.3Confident92Very high91 Ų9141 Ų4149%0.48724%0.238SC..SBendtrans-157.7164.8-17957.746.5000110.9K185 A186 V187N183-K185 VanDerWaalsContact C-N 3.27Å; N183-K185 PolarHBondContact O-N 3.46Å; N183-K185 PolarHBondContact OD1-N 2.82Å; N183-A186 PolarHBondContact O-N 3.3Å; N183-A186 VanDerWaalsContact O-N 3.1Å; N183-A186 WeakPolarHBondContact OD1-CB 3.29Å; N183-A186 PolarHBondContact OD1-N 3.25Å; N183-V187 WeakPolarHBondContact O-CG2 3.46Å; N183-V187 PolarHBondContact O-N 3.46Å
184A90.3Very high92Very high86 Ų8641 Ų4171%0.71124%0.237SC*.Hα-helixtrans-55.6-38.2-177.100000113.5A186 V187 Q188A184-A186 PolarHBondContact O-N 2.8Å; A184-V187 PolarHBondContact O-N 3.17Å; A184-Q188 WeakPolarHBondContact O-CB 3.33Å; A184-Q188 PolarHBondContact O-N 3.2Å
185K92.6Very high91.8Very high158 Ų15843.7 Ų43.769%0.68725%0.251SS*.Hα-helixtrans-63-43.5178-174.9177.3-178.8176.40112N183 Q188 Q189N183-K185 VanDerWaalsContact C-N 3.27Å; N183-K185 PolarHBondContact O-N 3.46Å; N183-K185 PolarHBondContact OD1-N 2.82Å; K185-Q188 PolarHBondContact O-N 3.14Å; K185-Q189 WeakPolarHBondContact O-CG 3.18Å; K185-Q189 PolarHBondContact O-N 2.97Å; K185-Q189 VanDerWaalsContact O-N 3.09Å
186A91Very high91.8Very high14 Ų1444.4 Ų44.412%0.11626%0.256CS..Hα-helixtrans-66.3-41.8176.800000111.4T152 P182 N183 A184 Q188 Q189 V190T152-A186 HydrophobicContact CG2-CB 4.4Å; P182-A186 HydrophobicContact CG-CB 4Å; N183-A186 PolarHBondContact O-N 3.3Å; N183-A186 VanDerWaalsContact O-N 3.1Å; N183-A186 WeakPolarHBondContact OD1-CB 3.29Å; N183-A186 PolarHBondContact OD1-N 3.25Å; A184-A186 PolarHBondContact O-N 2.8Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; A186-Q188 PolarHBondContact O-N 3.16Å; A186-Q189 WeakPolarHBondContact O-CB 3.11Å; A186-Q189 PolarHBondContact O-N 2.83Å; A186-V190 WeakPolarHBondContact O-CG2 2.91Å; A186-V190 PolarHBondContact O-N 3Å
187V93.1Very high91.8Very high25 Ų2548 Ų4815%0.15229%0.285CS..Hα-helixtrans-60.1-45.5175.7-179.40000110.7P180 N183 A184 Q189 V190 I191P180-V187 HydrophobicContact CB-CG1 4.17Å; P180-V187 HydrophobicContact CB-CG2 3.86Å; P180-V187 HydrophobicContact CG-CG2 4.14Å; N183-V187 WeakPolarHBondContact O-CG2 3.46Å; N183-V187 PolarHBondContact O-N 3.46Å; A184-V187 PolarHBondContact O-N 3.17Å; V187-Q189 VanDerWaalsContact C-N 3.3Å; V187-Q189 PolarHBondContact O-N 3.22Å; V187-V190 WeakPolarHBondContact O-CB 3.32Å; V187-V190 PolarHBondContact O-N 2.96Å; V187-V190 VanDerWaalsContact O-N 3.1Å; V187-I191 HydrophobicContact CG1-CD1 3.99Å; V187-I191 HydrophobicContact CG1-CG1 4.44Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 3.17Å
188Q95.3Very high92Very high116 Ų11650.3 Ų50.354%0.54230%0.296SS..Hα-helixtrans-61.3-38.5177.8-171.659.535.800112.3A184 K185 A186 I191 S192A184-Q188 WeakPolarHBondContact O-CB 3.33Å; A184-Q188 PolarHBondContact O-N 3.2Å; K185-Q188 PolarHBondContact O-N 3.14Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; A186-Q188 PolarHBondContact O-N 3.16Å; Q188-I191 PolarHBondContact O-N 2.88Å; Q188-S192 WeakPolarHBondContact O-CB 3.02Å; Q188-S192 PolarHBondContact O-N 3.09Å
189Q95.4Very high92.5Very high69 Ų6953.3 Ų53.332%0.32231%0.311SS..Hα-helixtrans-62.4-43.9173.4-74-177.219.300111.6T152 K185 A186 V187 I191 S192 N193T152-Q189 HydrophobicContact CG2-CB 4.01Å; K185-Q189 WeakPolarHBondContact O-CG 3.18Å; K185-Q189 PolarHBondContact O-N 2.97Å; K185-Q189 VanDerWaalsContact O-N 3.09Å; A186-Q189 WeakPolarHBondContact O-CB 3.11Å; A186-Q189 PolarHBondContact O-N 2.83Å; V187-Q189 VanDerWaalsContact C-N 3.3Å; V187-Q189 PolarHBondContact O-N 3.22Å; Q189-I191 PolarHBondContact O-N 3.4Å; Q189-S192 PolarHBondContact O-N 2.93Å; Q189-N193 WeakPolarHBondContact O-CB 3.31Å; Q189-N193 PolarHBondContact O-N 2.92Å; Q189-N193 PolarHBondContact O-ND2 3.27Å; Q189-N193 VanDerWaalsContact O-ND2 3.08Å
190V95.8Very high93Very high0 Ų053.7 Ų53.70%031%0.311CS..Hα-helixtrans-60.6-45.9176.8174.50000110.9L40 A148 T152 A186 V187 S192 N193 L194L40-V190 HydrophobicContact CD1-CG1 4.43Å; L40-V190 HydrophobicContact CD2-CG1 4.18Å; A148-V190 HydrophobicContact CB-CG1 4.47Å; A148-V190 WeakPolarHBondContact O-CG1 3.45Å; T152-V190 HydrophobicContact CG2-CG2 3.8Å; A186-V190 WeakPolarHBondContact O-CG2 2.91Å; A186-V190 PolarHBondContact O-N 3Å; V187-V190 WeakPolarHBondContact O-CB 3.32Å; V187-V190 PolarHBondContact O-N 2.96Å; V187-V190 VanDerWaalsContact O-N 3.1Å; V190-S192 PolarHBondContact O-N 3.32Å; V190-N193 PolarHBondContact O-N 2.87Å; V190-L194 HydrophobicContact CG1-CD1 3.92Å; V190-L194 HydrophobicContact CG1-CG 4.49Å; V190-L194 WeakPolarHBondContact O-CB 3.32Å; V190-L194 PolarHBondContact O-N 3.27Å
191I96.4Very high93.4Very high29 Ų2956 Ų5615%0.14932%0.321CS..Hα-helixtrans-57.5-51.2178-68.1167.4000110.5V187 Q188 Q189 L195 V196 L199V187-I191 HydrophobicContact CG1-CD1 3.99Å; V187-I191 HydrophobicContact CG1-CG1 4.44Å; V187-I191 WeakPolarHBondContact O-CG1 3.34Å; V187-I191 PolarHBondContact O-N 3.17Å; Q188-I191 PolarHBondContact O-N 2.88Å; Q189-I191 PolarHBondContact O-N 3.4Å; I191-L195 PolarHBondContact O-N 3.47Å; I191-V196 HydrophobicContact CB-CB 4.35Å; I191-V196 HydrophobicContact CG1-CB 4.49Å; I191-V196 HydrophobicContact CG2-CB 4.09Å; I191-V196 PolarHBondContact O-N 3.41Å; I191-L199 HydrophobicContact CD1-CD1 3.98Å; I191-L199 HydrophobicContact CD1-CD2 3.91Å; I191-L199 HydrophobicContact CD1-CG 4.49Å; I191-L199 HydrophobicContact CG1-CD1 4.36Å; I191-L199 HydrophobicContact CG1-CD2 4.29Å
192S95.7Very high93.6Very high78 Ų7856.6 Ų56.655%0.54532%0.319SS..Hα-helixtrans-65.7-45-178.8-172.10000112.4Q188 Q189 V190 L194 L195Q188-S192 WeakPolarHBondContact O-CB 3.02Å; Q188-S192 PolarHBondContact O-N 3.09Å; Q189-S192 PolarHBondContact O-N 2.93Å; V190-S192 PolarHBondContact O-N 3.32Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.33Å; S192-L195 PolarHBondContact O-N 2.82Å
193N96.1Very high93.7Very high44 Ų4456 Ų5624%0.23532%0.315CS..Hα-helixtrans-71.6-28.5-174.6-70.1-26.1000112.8A151 C158 I161 Q189 V190A151-N193 PolarHBondContact O-ND2 2.9Å; C158-N193 HydrophobicContact CB-CB 4.3Å; C158-N193 PolarHBondContact SG-ND2 2.92Å; C158-N193 VanDerWaalsContact SG-ND2 3.4Å; I161-N193 WeakPolarHBondContact CB-O 3.48Å; I161-N193 WeakPolarHBondContact CG2-O 3.43Å; Q189-N193 WeakPolarHBondContact O-CB 3.31Å; Q189-N193 PolarHBondContact O-N 2.92Å; Q189-N193 PolarHBondContact O-ND2 3.27Å; Q189-N193 VanDerWaalsContact O-ND2 3.08Å; V190-N193 PolarHBondContact O-N 2.87Å
194L96.6Very high93.3Very high0 Ų054.5 Ų54.50%031%0.306CS..THydrogen-bonded Turntrans-1039.6-179.5-59.9-175.1000113.2V145 A148 A151 I161 V173 A175 V190 S192 V196V145-L194 HydrophobicContact CG1-CD1 4.31Å; V145-L194 HydrophobicContact CG2-CD2 4.37Å; A148-L194 HydrophobicContact CB-CD1 3.87Å; A151-L194 HydrophobicContact CB-CD1 3.74Å; A151-L194 HydrophobicContact CB-CD2 3.78Å; A151-L194 HydrophobicContact CB-CG 3.73Å; I161-L194 HydrophobicContact CG1-CD2 3.98Å; V173-L194 HydrophobicContact CG1-CB 4.34Å; V173-L194 WeakPolarHBondContact CG1-O 3.44Å; A175-L194 HydrophobicContact CB-CD1 3.62Å; V190-L194 HydrophobicContact CG1-CD1 3.92Å; V190-L194 HydrophobicContact CG1-CG 4.49Å; V190-L194 WeakPolarHBondContact O-CB 3.32Å; V190-L194 PolarHBondContact O-N 3.27Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.33Å; L194-V196 HydrophobicContact CB-CG2 3.92Å; L194-V196 PolarHBondContact O-N 3.09Å
195L96.2Very high92.8Very high57 Ų5756.4 Ų56.430%0.29831%0.305SS..THydrogen-bonded Turntrans55.537.8178.4-51.1173.9000112.7N38 I161 L165 F171 I191 S192 A197N38-L195 WeakPolarHBondContact CB-O 3.45Å; N38-L195 PolarHBondContact ND2-O 2.91Å; I161-L195 HydrophobicContact CG2-CD1 3.82Å; I161-L195 HydrophobicContact CG2-CG 3.89Å; L165-L195 HydrophobicContact CD1-CD1 4.05Å; L165-L195 HydrophobicContact CD1-CD2 4.19Å; L165-L195 HydrophobicContact CD2-CD1 3.67Å; L165-L195 HydrophobicContact CG-CD1 4.1Å; F171-L195 HydrophobicContact CZ-CD1 4.24Å; I191-L195 PolarHBondContact O-N 3.47Å; S192-L195 PolarHBondContact O-N 2.82Å; L195-A197 PolarHBondContact O-N 2.69Å
196V96.7Very high92.5Very high15 Ų1549.9 Ų49.99%0.09128%0.279CS..  trans-73.3125.5-176.4176.40000109.1L40 I191 L194 H198 L199L40-V196 HydrophobicContact CB-CB 4.44Å; L40-V196 HydrophobicContact CB-CG1 3.65Å; L40-V196 HydrophobicContact CB-CG2 3.94Å; I191-V196 HydrophobicContact CB-CB 4.35Å; I191-V196 HydrophobicContact CG1-CB 4.49Å; I191-V196 HydrophobicContact CG2-CB 4.09Å; I191-V196 PolarHBondContact O-N 3.41Å; L194-V196 HydrophobicContact CB-CG2 3.92Å; L194-V196 PolarHBondContact O-N 3.09Å; V196-H198 WeakPolarHBondContact CG1-O 3.27Å; V196-L199 HydrophobicContact CG1-CD1 4.3Å; V196-L199 HydrophobicContact CG1-CG 4.34Å
197A95.9Very high92.2Very high76 Ų7654.1 Ų54.163%0.62831%0.305SS*.  trans-105.3-20174.100000112.4N38 L195N38-A197 PolarHBondContact O-N 2.93Å; L195-A197 PolarHBondContact O-N 2.69Å
198H97.1Very high91.7Very high51 Ų5156.5 Ų56.524%0.23632%0.315CS..EExtended strand (participates in β ladder)trans-134.6135.6-176.4-165.1-85.2000111.3F37 N38 T39 L40 V196 E200F37-H198 HydrophobicContact CB-CB 3.7Å; F37-H198 HydrophobicContact CG-CB 4.25Å; N38-H198 PolarHBondContact O-N 3.12Å; T39-H198 CarbonylContact C-O 3.55Å; T39-H198 VanDerWaalsContact CA-O 3.28Å; T39-H198 WeakPolarHBondContact CA-O 3.09Å; T39-H198 HydrophobicContact CG2-CB 4.4Å; L40-H198 PolarHBondContact N-O 2.79Å; V196-H198 WeakPolarHBondContact CG1-O 3.27Å; H198-E200 IonicContact CE1-OE1 2.86Å; H198-E200 PolarHBondContact CE1-OE1 3.46Å; H198-E200 IonicContact ND1-OE1 3.12Å
199L95.1Very high91.1Very high70 Ų7051 Ų5137%0.36629%0.289SS..EExtended strand (participates in β ladder)trans-112.6127.7176.3-74.197.7000110.4L40 I191 V196 I201L40-L199 HydrophobicContact CB-CG 4.48Å; L40-L199 HydrophobicContact CD2-CD2 4.13Å; I191-L199 HydrophobicContact CD1-CD1 3.98Å; I191-L199 HydrophobicContact CD1-CD2 3.91Å; I191-L199 HydrophobicContact CD1-CG 4.49Å; I191-L199 HydrophobicContact CG1-CD1 4.36Å; I191-L199 HydrophobicContact CG1-CD2 4.29Å; V196-L199 HydrophobicContact CG1-CD1 4.3Å; V196-L199 HydrophobicContact CG1-CG 4.34Å; L199-I201 HydrophobicContact CB-CG1 4.47Å; L199-I201 HydrophobicContact CD2-CD1 4.17Å
200E95Very high90.3Very high25 Ų2552.4 Ų52.412%0.11730%0.296CS..EExtended strand (participates in β ladder)trans-116.895.5174.9-78.4-71.9170.800108.2I30 T39 L40 V41 T42 H198 R202I30-E200 HydrophobicContact CB-CG 4.47Å; I30-E200 HydrophobicContact CG1-CB 4.04Å; I30-E200 HydrophobicContact CG1-CG 3.97Å; I30-E200 HydrophobicContact CG2-CB 4.33Å; I30-E200 HydrophobicContact CG2-CG 4.23Å; T39-E200 HydrophobicContact CG2-CB 4.28Å; T39-E200 HydrophobicContact CG2-CG 3.9Å; L40-E200 PolarHBondContact O-N 2.7Å; V41-E200 WeakPolarHBondContact CA-O 3.37Å; V41-E200 HydrophobicContact CG2-CB 4.39Å; T42-E200 PolarHBondContact N-O 2.99Å; H198-E200 IonicContact CE1-OE1 2.86Å; H198-E200 PolarHBondContact CE1-OE1 3.46Å; H198-E200 IonicContact ND1-OE1 3.12Å; E200-R202 IonicContact OE2-CZ 2.6Å; E200-R202 IonicContact OE2-NH1 2.59Å; E200-R202 PolarHBondContact OE2-NH1 3Å; E200-R202 IonicContact OE2-NH2 3.31Å
201I92.1Very high89.6Confident82 Ų8259.6 Ų59.642%0.42132%0.323SS..EExtended strand (participates in β ladder)trans-110.1121.7-177.8-55176.9000108.5T42 L199 T203T42-I201 HydrophobicContact CG2-CG2 4.33Å; L199-I201 HydrophobicContact CB-CG1 4.47Å; L199-I201 HydrophobicContact CD2-CD1 4.17Å; I201-T203 HydrophobicContact CG2-CG2 4.34Å
202R90.2Very high88.7Confident22 Ų2261 Ų618%0.08333%0.327CS..  trans-120.3129.3163-48.1-66.3-159.6-61.54.5108.9E29 T42 L43 P44 E200 E208 I209E29-R202 IonicContact OE2-NH2 3.09Å; T42-R202 PolarHBondContact O-N 3.4Å; L43-R202 HydrophobicContact CD2-CB 3.62Å; L43-R202 HydrophobicContact CD2-CG 3.55Å; P44-R202 WeakPolarHBondContact CD-O 3.45Å; E200-R202 IonicContact OE2-CZ 2.6Å; E200-R202 IonicContact OE2-NH1 2.59Å; E200-R202 PolarHBondContact OE2-NH1 3Å; E200-R202 IonicContact OE2-NH2 3.31Å; R202-E208 IonicContact CZ-OE2 3.84Å; R202-E208 IonicContact NE-OE2 2.72Å; R202-E208 PolarHBondContact NE-OE2 2.95Å; R202-E208 IonicContact NH2-OE2 3.87Å; R202-E208 PolarHBondContact NH2-OE2 2.87Å; R202-I209 HydrophobicContact CB-CD1 3.64Å; R202-I209 HydrophobicContact CB-CG1 4.36Å; R202-I209 HydrophobicContact CB-CG2 4.19Å; R202-I209 HydrophobicContact CG-CG2 4.25Å
203T84.6Confident87.7Confident69 Ų6958.8 Ų58.842%0.42331%0.308SS..  trans-101.3169.1174.358.50000110.3I201 D205 S206 I209I201-T203 HydrophobicContact CG2-CG2 4.34Å; T203-D205 PolarHBondContact O-N 3.21Å; T203-D205 VanDerWaalsContact O-N 3.07Å; T203-S206 PolarHBondContact N-OG 3.19Å; T203-S206 WeakPolarHBondContact O-CB 3.31Å; T203-S206 PolarHBondContact O-N 3.43Å; T203-S206 PolarHBondContact O-OG 3.16Å; T203-S206 PolarHBondContact OG1-OG 3.39Å; T203-I209 WeakPolarHBondContact O-CD1 3.4Å
204D77Confident86.5Confident58 Ų5860.1 Ų60.131%0.3131%0.313SS..THydrogen-bonded Turntrans-57.8-24.6178.2-69.3-13.6000112.4P44 S206 Q210 I213 R216P44-D204 WeakPolarHBondContact CG-OD1 3.49Å; D204-S206 VanDerWaalsContact C-N 3.33Å; D204-Q210 WeakPolarHBondContact O-CG 3.37Å; D204-I213 HydrophobicContact CB-CD1 4.28Å; D204-R216 IonicContact OD1-NH1 2.8Å; D204-R216 IonicContact OD2-NH1 3.54Å; D204-R216 PolarHBondContact OD2-NH1 2.87Å
205D81.4Confident85.4Confident127 Ų12762.2 Ų62.268%0.67934%0.335SS*.THydrogen-bonded Turntrans-81.8-6.6175.6-51.4-50.2000114.2T203 Q210T203-D205 PolarHBondContact O-N 3.21Å; T203-D205 VanDerWaalsContact O-N 3.07Å; D205-Q210 PolarHBondContact O-NE2 2.97Å
206S85.3Confident84.4Confident21 Ų2161.8 Ų61.815%0.14733%0.329CS..  trans-72121.1-176.5-630000110.6T203 D204 E208 I209 Q210T203-S206 PolarHBondContact N-OG 3.19Å; T203-S206 WeakPolarHBondContact O-CB 3.31Å; T203-S206 PolarHBondContact O-N 3.43Å; T203-S206 PolarHBondContact O-OG 3.16Å; T203-S206 PolarHBondContact OG1-OG 3.39Å; D204-S206 VanDerWaalsContact C-N 3.33Å; S206-E208 PolarHBondContact O-N 2.85Å; S206-E208 VanDerWaalsContact O-N 3.09Å; S206-I209 VanDerWaalsContact O-CG1 3.3Å; S206-I209 WeakPolarHBondContact O-CG1 3.35Å; S206-I209 PolarHBondContact O-N 3.46Å; S206-Q210 PolarHBondContact O-N 3.41Å; S206-Q210 VanDerWaalsContact O-N 3.12Å
207P84.4Confident83.7Confident103 Ų10365.4 Ų65.467%0.66935%0.345SS*.Hα-helixtrans-61.1-30.5-169.322.7-34.1000113.2I209P207-I209 VanDerWaalsContact C-N 3.25Å; P207-I209 PolarHBondContact O-N 2.96Å
208E82.5Confident83.2Confident74 Ų7464.3 Ų64.335%0.34633%0.33SS..Hα-helixtrans-64.9-28.5-179.9-65.5172.2-162.100113.8R202 S206 R211R202-E208 IonicContact CZ-OE2 3.84Å; R202-E208 IonicContact NE-OE2 2.72Å; R202-E208 PolarHBondContact NE-OE2 2.95Å; R202-E208 IonicContact NH2-OE2 3.87Å; R202-E208 PolarHBondContact NH2-OE2 2.87Å; S206-E208 PolarHBondContact O-N 2.85Å; S206-E208 VanDerWaalsContact O-N 3.09Å; E208-R211 PolarHBondContact O-NE 2.85Å; E208-R211 VanDerWaalsContact O-NE 3.12Å
209I83.5Confident82.8Confident0 Ų065.1 Ų65.10%033%0.334CS..Hα-helixtrans-107.1-18.3-176.767.7171.4000113.6Y26 P44 L47 R202 T203 S206 P207 R211 Y212 I213Y26-I209 HydrophobicContact CD1-CG2 3.8Å; Y26-I209 HydrophobicContact CD2-CG2 4.02Å; Y26-I209 HydrophobicContact CE1-CG2 3.95Å; Y26-I209 HydrophobicContact CE2-CG2 4.16Å; Y26-I209 HydrophobicContact CG-CG2 3.86Å; P44-I209 HydrophobicContact CG-CD1 4.24Å; L47-I209 HydrophobicContact CD1-CB 4.11Å; L47-I209 HydrophobicContact CD1-CD1 3.58Å; L47-I209 HydrophobicContact CD1-CG1 4.36Å; L47-I209 HydrophobicContact CD1-CG2 4.38Å; R202-I209 HydrophobicContact CB-CD1 3.64Å; R202-I209 HydrophobicContact CB-CG1 4.36Å; R202-I209 HydrophobicContact CB-CG2 4.19Å; R202-I209 HydrophobicContact CG-CG2 4.25Å; T203-I209 WeakPolarHBondContact O-CD1 3.4Å; S206-I209 VanDerWaalsContact O-CG1 3.3Å; S206-I209 WeakPolarHBondContact O-CG1 3.35Å; S206-I209 PolarHBondContact O-N 3.46Å; P207-I209 VanDerWaalsContact C-N 3.25Å; P207-I209 PolarHBondContact O-N 2.96Å; I209-R211 PolarHBondContact O-N 3.38Å; I209-R211 VanDerWaalsContact O-N 3.16Å; I209-Y212 WeakPolarHBondContact O-CA 3.23Å; I209-Y212 WeakPolarHBondContact O-CB 3.4Å; I209-Y212 PolarHBondContact O-N 3.49Å; I209-I213 HydrophobicContact CB-CD1 4.38Å; I209-I213 HydrophobicContact CD1-CD1 3.7Å; I209-I213 HydrophobicContact CG1-CD1 3.81Å; I209-I213 PolarHBondContact O-N 2.89Å
210Q79.5Confident82.6Confident99 Ų9966 Ų6646%0.46333%0.332SS..Hα-helixtrans-51.1-40-180-84.7-176.4-16.300112.8D204 D205 S206 Y212 I213D204-Q210 WeakPolarHBondContact O-CG 3.37Å; D205-Q210 PolarHBondContact O-NE2 2.97Å; S206-Q210 PolarHBondContact O-N 3.41Å; S206-Q210 VanDerWaalsContact O-N 3.12Å; Q210-Y212 PolarHBondContact O-N 3.41Å; Q210-I213 PolarHBondContact O-N 2.91Å
211R80.6Confident82.4Confident151 Ų15165.4 Ų65.457%0.5733%0.331SS*.THydrogen-bonded Turntrans-61-13.917563.9-178.1157.5178.2-3.9115.5E208 I209E208-R211 PolarHBondContact O-NE 2.85Å; E208-R211 VanDerWaalsContact O-NE 3.12Å; I209-R211 PolarHBondContact O-N 3.38Å; I209-R211 VanDerWaalsContact O-N 3.16Å
212Y78Confident82.3Confident60 Ų6064.1 Ų64.124%0.23533%0.327CS..THydrogen-bonded Turntrans-110.5-0.3178.2-51.3-69000112.6R24 Y26 I209 Q210R24-Y212 HydrophobicContact CB-CE2 4.23Å; R24-Y212 HydrophobicContact CG-CE1 4.03Å; R24-Y212 HydrophobicContact CG-CE2 4.26Å; Y26-Y212 HydrophobicContact CD1-CD2 4.36Å; Y26-Y212 AromaticContact CD1-CE2 3.98Å; Y26-Y212 HydrophobicContact CD1-CE2 3.98Å; Y26-Y212 AromaticContact CE1-CD2 3.62Å; Y26-Y212 HydrophobicContact CE1-CD2 3.62Å; Y26-Y212 AromaticContact CE1-CE2 3.51Å; Y26-Y212 HydrophobicContact CE1-CE2 3.51Å; I209-Y212 WeakPolarHBondContact O-CA 3.23Å; I209-Y212 WeakPolarHBondContact O-CB 3.4Å; I209-Y212 PolarHBondContact O-N 3.49Å; Q210-Y212 PolarHBondContact O-N 3.41Å
213I73.3Confident82.1Confident31 Ų3163.5 Ų63.516%0.15933%0.325CS..  trans-111.6127.4179.4-61.1172000107.5L47 D204 I209 Q210L47-I213 HydrophobicContact CD1-CD1 4.18Å; L47-I213 HydrophobicContact CD1-CG1 4.4Å; L47-I213 HydrophobicContact CD2-CG1 4.18Å; D204-I213 HydrophobicContact CB-CD1 4.28Å; I209-I213 HydrophobicContact CB-CD1 4.38Å; I209-I213 HydrophobicContact CD1-CD1 3.7Å; I209-I213 HydrophobicContact CG1-CD1 3.81Å; I209-I213 PolarHBondContact O-N 2.89Å; Q210-I213 PolarHBondContact O-N 2.91Å
214H71.5Confident82Confident72 Ų7264.2 Ų64.233%0.33333%0.33SS..  trans-90.7153.7172.7-61.670.5000109.3G520 R521 R522H214-G520 WeakPolarHBondContact CB-O 3.3Å; H214-G520 PolarHBondContact N-O 3.31Å; H214-R521 PolarHBondContact CE1-O 3.21Å; H214-R521 PolarHBondContact ND1-O 2.8Å; H214-R522 PolarHBondContact CD2-O 2.91Å; H214-R522 VanDerWaalsContact CE1-CA 3.49Å; H214-R522 WeakPolarHBondContact CE1-CA 3.37Å; H214-R522 PolarHBondContact NE2-O 3.42Å; H214-R522 VanDerWaalsContact NE2-O 3.1Å
215G72.8Confident81.6Confident44 Ų4466 Ų6645%0.45434%0.338SS..  trans-52143.6178.300000112.2H524 G525G215-H524 VanDerWaalsContact C-CD2 3.43Å; G215-H524 WeakPolarHBondContact O-CA 3.44Å; G215-H524 PolarHBondContact O-CD2 2.87Å; G215-G525 PolarHBondContact O-N 3.05Å
216R76.6Confident80.9Confident48 Ų4862.7 Ų62.718%0.18132%0.321CS..EExtended strand (participates in β ladder)trans-129.2127.3176-62.5179.2-176.71435.4108.5D204 M516 T519 G525 I527D204-R216 IonicContact OD1-NH1 2.8Å; D204-R216 IonicContact OD2-NH1 3.54Å; D204-R216 PolarHBondContact OD2-NH1 2.87Å; R216-M516 PolarHBondContact NE-O 2.84Å; R216-T519 HydrophobicContact CG-CG2 4.45Å; R216-T519 VanDerWaalsContact CZ-O 3.31Å; R216-T519 PolarHBondContact NE-O 2.8Å; R216-T519 PolarHBondContact NH2-O 2.63Å; R216-G525 CarbonylContact C-O 3.48Å; R216-G525 VanDerWaalsContact CA-O 3.26Å; R216-G525 WeakPolarHBondContact CA-O 3.38Å; R216-I527 HydrophobicContact CB-CD1 4.24Å
217E82.1Confident80.1Confident91 Ų9169.4 Ų69.443%0.42535%0.35SS..EExtended strand (participates in β ladder)trans-99.3122.6171.7-177.5-175.8-166.500108.4G525 K526 I527E217-G525 PolarHBondContact N-O 2.83Å; E217-K526 WeakPolarHBondContact OE2-CE 3.19Å; E217-K526 IonicContact OE2-NZ 3.15Å; E217-I527 PolarHBondContact O-N 2.88Å
218V84.3Confident79.2Confident52 Ų5265.9 Ų65.932%0.31533%0.327SS..EExtended strand (participates in β ladder)trans-106.8113.1173.7-171.10000107.6M516 I527 F542V218-M516 HydrophobicContact CG2-CE 3.76Å; V218-M516 HydrophobicContact CG2-SD 4.45Å; V218-I527 WeakPolarHBondContact CA-O 3.3Å; V218-I527 HydrophobicContact CG1-CB 4.43Å; V218-I527 HydrophobicContact CG1-CG2 4.32Å; V218-I527 HydrophobicContact CG2-CB 4.32Å; V218-I527 HydrophobicContact CG2-CD1 4Å; V218-F542 HydrophobicContact CG1-CE1 3.82Å; V218-F542 HydrophobicContact CG1-CE2 4.33Å; V218-F542 HydrophobicContact CG1-CZ 3.34Å
219E89.7Confident78.4Confident68 Ų6862.7 Ų62.732%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-115.7130.9-178.6-174.2-169.4154.700109.2V221 K526 I527 L528 L529E219-V221 HydrophobicContact CG-CG2 4.41Å; E219-K526 WeakPolarHBondContact OE2-CE 3.18Å; E219-K526 IonicContact OE2-NZ 3.89Å; E219-K526 PolarHBondContact OE2-NZ 3.29Å; E219-I527 PolarHBondContact N-O 3.44Å; E219-L528 HydrophobicContact CB-CD2 3.74Å; E219-L528 HydrophobicContact CG-CD2 4.36Å; E219-L528 WeakPolarHBondContact O-CA 3.18Å; E219-L529 PolarHBondContact O-N 3.02Å
220R89.5Confident77.5Confident88 Ų8867.7 Ų67.733%0.33234%0.339SS..EExtended strand (participates in β ladder)trans-93.6117.4171.8-175-170.8-172.5-179.814.6109.1V222 V531 Q537 S540R220-V222 HydrophobicContact CG-CG2 4.49Å; R220-V531 HydrophobicContact CG-CG2 4.24Å; R220-Q537 VanDerWaalsContact NH2-C 3.31Å; R220-Q537 PolarHBondContact NH2-O 3.18Å; R220-S540 PolarHBondContact NH2-OG 3.23Å
221V91Very high77Confident13 Ų1365.7 Ų65.78%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-100.2102.6178.6-1740000108.4E219 I223 K399 L403 L528 L529 L530 V531E219-V221 HydrophobicContact CG-CG2 4.41Å; V221-I223 HydrophobicContact CG1-CG1 4.34Å; V221-K399 HydrophobicContact CG1-CG 4.03Å; V221-L403 HydrophobicContact CG2-CD1 4.48Å; V221-L528 HydrophobicContact CG2-CD2 4.29Å; V221-L529 PolarHBondContact N-O 2.84Å; V221-L530 HydrophobicContact CB-CD2 3.83Å; V221-L530 HydrophobicContact CG1-CD2 4.27Å; V221-L530 HydrophobicContact CG2-CD2 4.22Å; V221-V531 PolarHBondContact O-N 3.09Å
222V89.7Confident76.3Confident56 Ų5659 Ų5934%0.33931%0.308SS..EExtended strand (participates in β ladder)trans-80.3121.8172.8-175.90000108.3R220 V531 E533 Q537R220-V222 HydrophobicContact CG-CG2 4.49Å; V222-V531 CarbonylContact C-O 3.49Å; V222-V531 WeakPolarHBondContact CA-O 3.41Å; V222-E533 HydrophobicContact CG1-CB 4.07Å; V222-Q537 HydrophobicContact CG1-CG 4.49Å; V222-Q537 HydrophobicContact CG2-CG 4.34Å
223I88Confident75.6Confident8 Ų858.1 Ų58.14%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-99.9118.1-178.1-66.1146.8000107.4V221 K396 K399 L530 V531 E533V221-I223 HydrophobicContact CG1-CG1 4.34Å; I223-K396 HydrophobicContact CD1-CB 4.06Å; I223-K396 HydrophobicContact CD1-CG 3.57Å; I223-K399 HydrophobicContact CD1-CB 4.03Å; I223-K399 HydrophobicContact CD1-CG 4.26Å; I223-K399 HydrophobicContact CG1-CB 3.98Å; I223-K399 HydrophobicContact CG1-CG 3.95Å; I223-L530 HydrophobicContact CD1-CB 3.9Å; I223-L530 HydrophobicContact CD1-CD1 4.49Å; I223-L530 HydrophobicContact CD1-CD2 4.34Å; I223-L530 HydrophobicContact CD1-CG 4.46Å; I223-V531 PolarHBondContact N-O 3.38Å; I223-E533 PolarHBondContact O-N 3.2Å
224P81.4Confident75.4Confident84 Ų8465.4 Ų65.455%0.54534%0.339SS..PPolyproline II helixtrans-66.9151.8-175.828.2-34.7000110.8D226 E533P224-D226 PolarHBondContact O-N 2.65Å; P224-E533 WeakPolarHBondContact CA-OE2 3.09Å
225M68.2Low75.3Confident96 Ų9663.1 Ų63.147%0.47333%0.328SS..  trans-73.390171.9-67-68.4-118.900109.9M229 T532 E533M225-M229 HydrophobicContact CB-CB 4.31Å; M225-M229 HydrophobicContact CE-CE 4.22Å; M225-M229 HydrophobicContact SD-CB 3.86Å; M225-M229 HydrophobicContact SD-CE 3.42Å; M225-M229 WeakPolarHBondContact SD-CE 3.45Å; M225-M229 HydrophobicContact SD-CG 4.06Å; M225-T532 HydrophobicContact CE-CG2 4.29Å; M225-T532 HydrophobicContact SD-CG2 3.45Å; M225-T532 WeakPolarHBondContact SD-CG2 3.2Å; M225-E533 HydrophobicContact CG-CB 4.22Å; M225-E533 PolarHBondContact N-OE2 3.42Å; M225-E533 VanDerWaalsContact N-OE2 3.17Å
226D67.9Low75.1Confident58 Ų5863.2 Ų63.231%0.3132%0.315SS..  trans-76.9178.3177.867.928.9000113.3P224 S228 M229 L230 S395P224-D226 PolarHBondContact O-N 2.65Å; D226-S228 PolarHBondContact O-N 2.52Å; D226-S228 WeakPolarHBondContact OD1-CA 3.47Å; D226-S228 WeakPolarHBondContact OD1-CB 3.35Å; D226-S228 PolarHBondContact OD1-N 3.21Å; D226-S228 PolarHBondContact OD1-OG 3.1Å; D226-S228 PolarHBondContact OD2-OG 3.14Å; D226-M229 CarbonylContact O-C 3.48Å; D226-M229 WeakPolarHBondContact O-CA 3.47Å; D226-M229 VanDerWaalsContact O-CB 3.29Å; D226-M229 WeakPolarHBondContact O-CB 3.47Å; D226-M229 PolarHBondContact O-N 2.77Å; D226-M229 PolarHBondContact OD1-N 3.37Å; D226-L230 PolarHBondContact O-N 3.39Å; D226-S395 PolarHBondContact OD1-OG 3Å; D226-S395 VanDerWaalsContact OD1-OG 3.11Å; D226-S395 WeakPolarHBondContact OD2-CB 3.46Å; D226-S395 PolarHBondContact OD2-OG 3.39Å
227E67.7Low74.7Confident162 Ų16264.2 Ų64.276%0.75733%0.327SS*.Hα-helixtrans-59.9-29.7178.2-71-176.2171.400113.8M229 L230 V231E227-M229 VanDerWaalsContact C-N 3.28Å; E227-L230 HydrophobicContact CG-CD1 4.38Å; E227-L230 WeakPolarHBondContact O-CB 3.41Å; E227-L230 PolarHBondContact O-N 3.32Å; E227-L230 VanDerWaalsContact O-N 3.15Å; E227-V231 PolarHBondContact O-N 3.32Å
228S66.2Low74.4Confident28 Ų2861.2 Ų61.220%0.19631%0.314CS..Hα-helixtrans-68-34.5173.774.90000110.8D226 V231 F232 S395D226-S228 PolarHBondContact O-N 2.52Å; D226-S228 WeakPolarHBondContact OD1-CA 3.47Å; D226-S228 WeakPolarHBondContact OD1-CB 3.35Å; D226-S228 PolarHBondContact OD1-N 3.21Å; D226-S228 PolarHBondContact OD1-OG 3.1Å; D226-S228 PolarHBondContact OD2-OG 3.14Å; S228-V231 WeakPolarHBondContact O-CB 3.2Å; S228-V231 PolarHBondContact O-N 3.4Å; S228-F232 WeakPolarHBondContact O-CD2 3.48Å; S228-F232 PolarHBondContact O-N 2.86Å; S228-S395 PolarHBondContact OG-OG 3.38Å
229M64.1Low74.3Confident8 Ų858.9 Ų58.94%0.03930%0.299CS..Hα-helixtrans-68.1-28.8169.2-58-69.4-61.200113.3M225 D226 E227 V231 F232 A233 H394 S395 T532M225-M229 HydrophobicContact CB-CB 4.31Å; M225-M229 HydrophobicContact CE-CE 4.22Å; M225-M229 HydrophobicContact SD-CB 3.86Å; M225-M229 HydrophobicContact SD-CE 3.42Å; M225-M229 WeakPolarHBondContact SD-CE 3.45Å; M225-M229 HydrophobicContact SD-CG 4.06Å; D226-M229 CarbonylContact O-C 3.48Å; D226-M229 WeakPolarHBondContact O-CA 3.47Å; D226-M229 VanDerWaalsContact O-CB 3.29Å; D226-M229 WeakPolarHBondContact O-CB 3.47Å; D226-M229 PolarHBondContact O-N 2.77Å; D226-M229 PolarHBondContact OD1-N 3.37Å; E227-M229 VanDerWaalsContact C-N 3.28Å; M229-V231 VanDerWaalsContact C-N 3.34Å; M229-F232 HydrophobicContact CB-CD2 4.26Å; M229-F232 HydrophobicContact CE-CD2 4.13Å; M229-F232 HydrophobicContact CG-CD2 4.24Å; M229-F232 CarbonylContact O-C 3.55Å; M229-F232 WeakPolarHBondContact O-CA 3.49Å; M229-F232 WeakPolarHBondContact O-CB 3.41Å; M229-F232 PolarHBondContact O-N 3.05Å; M229-F232 VanDerWaalsContact O-N 3.12Å; M229-F232 HydrophobicContact SD-CD2 3.37Å; M229-F232 WeakPolarHBondContact SD-CD2 3.41Å; M229-F232 HydrophobicContact SD-CE2 3.59Å; M229-F232 VanDerWaalsContact SD-CE2 3.59Å; M229-A233 PolarHBondContact O-N 3.3Å; M229-H394 WeakPolarHBondContact CE-NE2 3.37Å; M229-S395 VanDerWaalsContact CG-OG 3.29Å; M229-S395 WeakPolarHBondContact CG-OG 3.47Å; M229-S395 PolarHBondContact SD-OG 2.94Å; M229-T532 HydrophobicContact CE-CG2 3.74Å
230L65.6Low73.9Confident105 Ų10556.8 Ų56.855%0.5529%0.289SS..Hα-helixtrans-64.8-37.5171-72.7171.4000112.1D226 E227 F232 A233 R234D226-L230 PolarHBondContact O-N 3.39Å; E227-L230 HydrophobicContact CG-CD1 4.38Å; E227-L230 WeakPolarHBondContact O-CB 3.41Å; E227-L230 PolarHBondContact O-N 3.32Å; E227-L230 VanDerWaalsContact O-N 3.15Å; L230-F232 VanDerWaalsContact C-N 3.26Å; L230-F232 PolarHBondContact O-N 3.31Å; L230-A233 CarbonylContact O-C 3.58Å; L230-A233 WeakPolarHBondContact O-CB 3.45Å; L230-A233 PolarHBondContact O-N 3.06Å; L230-A233 VanDerWaalsContact O-N 3.13Å; L230-R234 PolarHBondContact O-N 3.09Å
231V68.4Low73.7Confident57 Ų5757.1 Ų57.135%0.34529%0.294SS..Hα-helixtrans-61.1-40.7170.9177.90000109.9E227 S228 M229 R234 K235E227-V231 PolarHBondContact O-N 3.32Å; S228-V231 WeakPolarHBondContact O-CB 3.2Å; S228-V231 PolarHBondContact O-N 3.4Å; M229-V231 VanDerWaalsContact C-N 3.34Å; V231-R234 PolarHBondContact O-N 3.36Å; V231-K235 WeakPolarHBondContact O-CG 3.18Å; V231-K235 PolarHBondContact O-N 3.48Å
232F66.5Low73.4Confident9 Ų956.5 Ų56.54%0.03929%0.291CS..Hα-helixtrans-64-38.1172.3-52.9-37.8000112.3S228 M229 L230 R234 K235 Y236 I307 L312 S393S228-F232 WeakPolarHBondContact O-CD2 3.48Å; S228-F232 PolarHBondContact O-N 2.86Å; M229-F232 HydrophobicContact CB-CD2 4.26Å; M229-F232 HydrophobicContact CE-CD2 4.13Å; M229-F232 HydrophobicContact CG-CD2 4.24Å; M229-F232 CarbonylContact O-C 3.55Å; M229-F232 WeakPolarHBondContact O-CA 3.49Å; M229-F232 WeakPolarHBondContact O-CB 3.41Å; M229-F232 PolarHBondContact O-N 3.05Å; M229-F232 VanDerWaalsContact O-N 3.12Å; M229-F232 HydrophobicContact SD-CD2 3.37Å; M229-F232 WeakPolarHBondContact SD-CD2 3.41Å; M229-F232 HydrophobicContact SD-CE2 3.59Å; M229-F232 VanDerWaalsContact SD-CE2 3.59Å; L230-F232 VanDerWaalsContact C-N 3.26Å; L230-F232 PolarHBondContact O-N 3.31Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 3.23Å; F232-K235 CarbonylContact O-C 3.56Å; F232-K235 PolarHBondContact O-N 3.18Å; F232-Y236 WeakPolarHBondContact O-CB 3.4Å; F232-Y236 PolarHBondContact O-N 3.26Å; F232-I307 HydrophobicContact CB-CG2 4.07Å; F232-L312 HydrophobicContact CD1-CD1 3.45Å; F232-L312 VanDerWaalsContact CD1-CD1 3.45Å; F232-L312 HydrophobicContact CD1-CD2 3.78Å; F232-L312 HydrophobicContact CD1-CG 3.32Å; F232-L312 HydrophobicContact CE1-CB 4.35Å; F232-L312 HydrophobicContact CE1-CD1 3.36Å; F232-L312 HydrophobicContact CE1-CD2 4.31Å; F232-L312 HydrophobicContact CE1-CG 3.35Å; F232-L312 HydrophobicContact CG-CG 4.45Å; F232-L312 HydrophobicContact CZ-CG 4.5Å; F232-S393 VanDerWaalsContact CZ-O 3.28Å; F232-S393 WeakPolarHBondContact CZ-O 3.37Å
233A63.9Low73.4Confident43 Ų4354 Ų5436%0.35528%0.276SS..Hα-helixtrans-65.9-32.1174.600000112.7M229 L230 Y236 T237M229-A233 PolarHBondContact O-N 3.3Å; L230-A233 CarbonylContact O-C 3.58Å; L230-A233 WeakPolarHBondContact O-CB 3.45Å; L230-A233 PolarHBondContact O-N 3.06Å; L230-A233 VanDerWaalsContact O-N 3.13Å; A233-Y236 VanDerWaalsContact O-CB 3.3Å; A233-Y236 WeakPolarHBondContact O-CB 3.25Å; A233-T237 PolarHBondContact O-N 3.22Å; A233-T237 PolarHBondContact O-OG1 3.1Å
234R68.4Low73.5Confident184 Ų18457.5 Ų57.569%0.69429%0.292SS*.Hα-helixtrans-68.8-46.2169.4-71.5-177.7-176.3-1772.6111.3L230 V231 F232 Y236 T237 D238L230-R234 PolarHBondContact O-N 3.09Å; V231-R234 PolarHBondContact O-N 3.36Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 3.23Å; R234-Y236 PolarHBondContact O-N 3.46Å; R234-T237 CarbonylContact O-C 3.6Å; R234-T237 WeakPolarHBondContact O-CA 3.07Å; R234-T237 WeakPolarHBondContact O-CB 3.44Å; R234-T237 PolarHBondContact O-N 2.98Å; R234-D238 PolarHBondContact O-N 2.6Å
235K69.6Low73.9Confident24 Ų2455.5 Ų55.510%0.10428%0.278CS..Hα-helixtrans-67.3-26.5175.9-63.1-46.3178.7-173.70113.3V231 F232 D238 L239 L345 Y348V231-K235 WeakPolarHBondContact O-CG 3.18Å; V231-K235 PolarHBondContact O-N 3.48Å; F232-K235 CarbonylContact O-C 3.56Å; F232-K235 PolarHBondContact O-N 3.18Å; K235-D238 WeakPolarHBondContact CD-OD2 3.48Å; K235-D238 IonicContact NZ-OD2 2.72Å; K235-D238 PolarHBondContact NZ-OD2 2.93Å; K235-D238 PolarHBondContact O-N 2.59Å; K235-L239 PolarHBondContact O-N 2.9Å; K235-L345 HydrophobicContact CB-CD1 4.07Å; K235-L345 HydrophobicContact CD-CD1 4.01Å; K235-L345 HydrophobicContact CG-CD1 4.37Å; K235-Y348 HydrophobicContact CD-CD1 4.23Å; K235-Y348 HydrophobicContact CD-CE1 4.44Å; K235-Y348 HydrophobicContact CG-CD1 4.36Å; K235-Y348 HydrophobicContact CG-CE1 4.2Å
236Y68.2Low75Confident46 Ų4651 Ų5118%0.1826%0.255CS..Hα-helixtrans-61-44.9164.9173.6-66.9000110.7F232 A233 R234 D238 L239 F240 Y304F232-Y236 WeakPolarHBondContact O-CB 3.4Å; F232-Y236 PolarHBondContact O-N 3.26Å; A233-Y236 VanDerWaalsContact O-CB 3.3Å; A233-Y236 WeakPolarHBondContact O-CB 3.25Å; R234-Y236 PolarHBondContact O-N 3.46Å; Y236-D238 PolarHBondContact O-N 3.47Å; Y236-L239 PolarHBondContact O-N 3.32Å; Y236-F240 HydrophobicContact CD1-CD1 4.34Å; Y236-F240 AromaticContact CD1-CD2 3.71Å; Y236-F240 HydrophobicContact CD1-CD2 3.71Å; Y236-F240 HydrophobicContact CD1-CE1 4.31Å; Y236-F240 AromaticContact CD1-CE2 3.75Å; Y236-F240 HydrophobicContact CD1-CE2 3.75Å; Y236-F240 HydrophobicContact CD1-CG 4.06Å; Y236-F240 HydrophobicContact CD1-CZ 4.04Å; Y236-F240 HydrophobicContact CD2-CE2 4.4Å; Y236-F240 AromaticContact CE1-CD1 3.83Å; Y236-F240 HydrophobicContact CE1-CD1 3.83Å; Y236-F240 AromaticContact CE1-CD2 3.7Å; Y236-F240 HydrophobicContact CE1-CD2 3.7Å; Y236-F240 AromaticContact CE1-CE1 3.41Å; Y236-F240 HydrophobicContact CE1-CE1 3.41Å; Y236-F240 VanDerWaalsContact CE1-CE1 3.41Å; Y236-F240 AromaticContact CE1-CE2 3.33Å; Y236-F240 HydrophobicContact CE1-CE2 3.33Å; Y236-F240 AromaticContact CE1-CG 3.97Å; Y236-F240 HydrophobicContact CE1-CG 3.97Å; Y236-F240 AromaticContact CE1-CZ 3.15Å; Y236-F240 HydrophobicContact CE1-CZ 3.15Å; Y236-F240 HydrophobicContact CE2-CE2 4.12Å; Y236-F240 HydrophobicContact CE2-CZ 4.22Å; Y236-F240 HydrophobicContact CG-CD2 4.29Å; Y236-F240 HydrophobicContact CG-CE2 4.23Å; Y236-F240 AromaticContact CZ-CE1 3.91Å; Y236-F240 AromaticContact CZ-CE2 3.52Å; Y236-F240 AromaticContact CZ-CZ 3.25Å; Y236-F240 WeakPolarHBondContact O-CB 3.41Å; Y236-F240 WeakPolarHBondContact O-CD2 3.33Å; Y236-F240 WeakPolarHBondContact O-CG 3.33Å; Y236-F240 PolarHBondContact O-N 3.49Å; Y236-F240 WeakPolarHBondContact OH-CZ 3.1Å; Y236-Y304 AromaticContact CD2-CD2 3.93Å; Y236-Y304 HydrophobicContact CD2-CD2 3.93Å; Y236-Y304 AromaticContact CD2-CE2 3.55Å; Y236-Y304 HydrophobicContact CD2-CE2 3.55Å; Y236-Y304 HydrophobicContact CE1-CE2 4.29Å; Y236-Y304 AromaticContact CE2-CD2 3.8Å; Y236-Y304 HydrophobicContact CE2-CD2 3.8Å; Y236-Y304 AromaticContact CE2-CE2 2.95Å; Y236-Y304 HydrophobicContact CE2-CE2 2.95Å; Y236-Y304 AromaticContact CE2-CZ 3.64Å; Y236-Y304 HydrophobicContact CG-CE2 4.44Å; Y236-Y304 AromaticContact CZ-CE2 3.34Å; Y236-Y304 WeakPolarHBondContact OH-CE2 3.44Å; Y236-Y304 PolarHBondContact OH-OH 3.04Å
237T69.4Low76.2Confident69 Ų6948.2 Ų48.242%0.42324%0.241SC..Hα-helixtrans-61.2-43.7174.8-52.60000111.3A233 R234 L239 F240 Q241A233-T237 PolarHBondContact O-N 3.22Å; A233-T237 PolarHBondContact O-OG1 3.1Å; R234-T237 CarbonylContact O-C 3.6Å; R234-T237 WeakPolarHBondContact O-CA 3.07Å; R234-T237 WeakPolarHBondContact O-CB 3.44Å; R234-T237 PolarHBondContact O-N 2.98Å; T237-L239 PolarHBondContact O-N 3.19Å; T237-F240 WeakPolarHBondContact O-CB 3.45Å; T237-F240 PolarHBondContact O-N 3.35Å; T237-Q241 WeakPolarHBondContact O-CG 3.36Å; T237-Q241 PolarHBondContact O-N 3.26Å
238D75.8Confident77.4Confident28 Ų2841.8 Ų41.815%0.1521%0.214CC..Hα-helixtrans-60.8-46.6176.7-60.7-11.4000111.1R234 K235 Y236 F240 Q241 V242 L345R234-D238 PolarHBondContact O-N 2.6Å; K235-D238 WeakPolarHBondContact CD-OD2 3.48Å; K235-D238 IonicContact NZ-OD2 2.72Å; K235-D238 PolarHBondContact NZ-OD2 2.93Å; K235-D238 PolarHBondContact O-N 2.59Å; Y236-D238 PolarHBondContact O-N 3.47Å; D238-F240 VanDerWaalsContact C-N 3.33Å; D238-F240 PolarHBondContact O-N 3.35Å; D238-Q241 PolarHBondContact O-N 3.43Å; D238-V242 WeakPolarHBondContact O-CG2 3.39Å; D238-V242 PolarHBondContact O-N 3.3Å; D238-L345 HydrophobicContact CB-CB 4.45Å; D238-L345 HydrophobicContact CB-CD1 4.41Å
239L80.7Confident78.6Confident3 Ų343.9 Ų43.92%0.01622%0.218CC..Hα-helixtrans-65-36.8176.9-171.367.2000112K235 Y236 T237 Q241 V242 L243 L300 I307 L345K235-L239 PolarHBondContact O-N 2.9Å; Y236-L239 PolarHBondContact O-N 3.32Å; T237-L239 PolarHBondContact O-N 3.19Å; L239-Q241 VanDerWaalsContact C-N 3.34Å; L239-V242 PolarHBondContact O-N 3.33Å; L239-L243 WeakPolarHBondContact O-CB 3.48Å; L239-L243 PolarHBondContact O-N 2.68Å; L239-L300 HydrophobicContact CD1-CB 4.49Å; L239-L300 HydrophobicContact CD1-CD2 3.7Å; L239-I307 HydrophobicContact CD2-CD1 3.94Å; L239-L345 HydrophobicContact CB-CD2 4.05Å; L239-L345 HydrophobicContact CD1-CD2 3.81Å
240F81.1Confident80Confident24 Ų2443.5 Ų43.511%0.10522%0.216CC..Hα-helixtrans-60.8-43.5174.7-93.8-134.4000111.4Y236 T237 D238 V242 L243 Q244 V261 E262 Y304Y236-F240 HydrophobicContact CD1-CD1 4.34Å; Y236-F240 AromaticContact CD1-CD2 3.71Å; Y236-F240 HydrophobicContact CD1-CD2 3.71Å; Y236-F240 HydrophobicContact CD1-CE1 4.31Å; Y236-F240 AromaticContact CD1-CE2 3.75Å; Y236-F240 HydrophobicContact CD1-CE2 3.75Å; Y236-F240 HydrophobicContact CD1-CG 4.06Å; Y236-F240 HydrophobicContact CD1-CZ 4.04Å; Y236-F240 HydrophobicContact CD2-CE2 4.4Å; Y236-F240 AromaticContact CE1-CD1 3.83Å; Y236-F240 HydrophobicContact CE1-CD1 3.83Å; Y236-F240 AromaticContact CE1-CD2 3.7Å; Y236-F240 HydrophobicContact CE1-CD2 3.7Å; Y236-F240 AromaticContact CE1-CE1 3.41Å; Y236-F240 HydrophobicContact CE1-CE1 3.41Å; Y236-F240 VanDerWaalsContact CE1-CE1 3.41Å; Y236-F240 AromaticContact CE1-CE2 3.33Å; Y236-F240 HydrophobicContact CE1-CE2 3.33Å; Y236-F240 AromaticContact CE1-CG 3.97Å; Y236-F240 HydrophobicContact CE1-CG 3.97Å; Y236-F240 AromaticContact CE1-CZ 3.15Å; Y236-F240 HydrophobicContact CE1-CZ 3.15Å; Y236-F240 HydrophobicContact CE2-CE2 4.12Å; Y236-F240 HydrophobicContact CE2-CZ 4.22Å; Y236-F240 HydrophobicContact CG-CD2 4.29Å; Y236-F240 HydrophobicContact CG-CE2 4.23Å; Y236-F240 AromaticContact CZ-CE1 3.91Å; Y236-F240 AromaticContact CZ-CE2 3.52Å; Y236-F240 AromaticContact CZ-CZ 3.25Å; Y236-F240 WeakPolarHBondContact O-CB 3.41Å; Y236-F240 WeakPolarHBondContact O-CD2 3.33Å; Y236-F240 WeakPolarHBondContact O-CG 3.33Å; Y236-F240 PolarHBondContact O-N 3.49Å; Y236-F240 WeakPolarHBondContact OH-CZ 3.1Å; T237-F240 WeakPolarHBondContact O-CB 3.45Å; T237-F240 PolarHBondContact O-N 3.35Å; D238-F240 VanDerWaalsContact C-N 3.33Å; D238-F240 PolarHBondContact O-N 3.35Å; F240-V242 VanDerWaalsContact C-N 3.33Å; F240-V242 PolarHBondContact O-N 2.88Å; F240-L243 PolarHBondContact O-N 3.24Å; F240-Q244 VanDerWaalsContact O-CB 3.31Å; F240-Q244 WeakPolarHBondContact O-CB 3.48Å; F240-Q244 PolarHBondContact O-N 3Å; F240-V261 HydrophobicContact CB-CG2 4.39Å; F240-V261 HydrophobicContact CD1-CB 3.54Å; F240-V261 HydrophobicContact CD1-CG1 3.62Å; F240-V261 HydrophobicContact CD1-CG2 3.89Å; F240-V261 HydrophobicContact CD2-CG1 3.83Å; F240-V261 HydrophobicContact CE1-CB 3.44Å; F240-V261 VanDerWaalsContact CE1-CB 3.44Å; F240-V261 HydrophobicContact CE1-CG1 3.29Å; F240-V261 HydrophobicContact CE1-CG2 4.31Å; F240-V261 HydrophobicContact CE2-CB 4.42Å; F240-V261 HydrophobicContact CE2-CG1 3.44Å; F240-V261 VanDerWaalsContact CE2-CG1 3.44Å; F240-V261 HydrophobicContact CG-CB 4.12Å; F240-V261 HydrophobicContact CG-CG1 3.88Å; F240-V261 HydrophobicContact CG-CG2 4.15Å; F240-V261 HydrophobicContact CZ-CB 3.91Å; F240-V261 HydrophobicContact CZ-CG1 3.18Å; F240-E262 HydrophobicContact CE1-CG 3.78Å; F240-E262 HydrophobicContact CZ-CG 4.31Å; F240-Y304 HydrophobicContact CD2-CD2 4.39Å; F240-Y304 HydrophobicContact CD2-CE2 4.49Å; F240-Y304 AromaticContact CE2-CD2 3.48Å; F240-Y304 HydrophobicContact CE2-CD2 3.48Å; F240-Y304 VanDerWaalsContact CE2-CD2 3.48Å; F240-Y304 AromaticContact CE2-CE2 3.32Å; F240-Y304 HydrophobicContact CE2-CE2 3.32Å; F240-Y304 HydrophobicContact CZ-CD2 4.28Å; F240-Y304 AromaticContact CZ-CE2 3.68Å; F240-Y304 HydrophobicContact CZ-CE2 3.68Å
241Q85.1Confident81.3Confident94 Ų9439.4 Ų39.444%0.43920%0.196SC..Hα-helixtrans-60.9-42.7176.9-70.5174.59.600111.5T237 D238 L239 Q244 V245 Q341T237-Q241 WeakPolarHBondContact O-CG 3.36Å; T237-Q241 PolarHBondContact O-N 3.26Å; D238-Q241 PolarHBondContact O-N 3.43Å; L239-Q241 VanDerWaalsContact C-N 3.34Å; Q241-Q244 PolarHBondContact O-N 3.47Å; Q241-V245 PolarHBondContact O-N 3.39Å; Q241-Q341 HydrophobicContact CB-CG 4.28Å
242V86.7Confident82.4Confident0 Ų044.2 Ų44.20%021%0.212CC..Hα-helixtrans-60.6-47.5174.7-178.80000110.5D238 L239 F240 Q244 V245 Y246 L300 L336 L339 Q341 F342D238-V242 WeakPolarHBondContact O-CG2 3.39Å; D238-V242 PolarHBondContact O-N 3.3Å; L239-V242 PolarHBondContact O-N 3.33Å; F240-V242 VanDerWaalsContact C-N 3.33Å; F240-V242 PolarHBondContact O-N 2.88Å; V242-Q244 VanDerWaalsContact C-N 3.32Å; V242-Q244 PolarHBondContact O-N 3.45Å; V242-V245 WeakPolarHBondContact O-CB 3.45Å; V242-V245 PolarHBondContact O-N 3.05Å; V242-Y246 HydrophobicContact CG1-CE2 4.27Å; V242-Y246 VanDerWaalsContact O-CD2 3.3Å; V242-Y246 WeakPolarHBondContact O-CD2 3.14Å; V242-L300 HydrophobicContact CB-CD1 4.36Å; V242-L300 HydrophobicContact CG1-CD1 3.63Å; V242-L300 HydrophobicContact CG1-CD2 4.31Å; V242-L336 HydrophobicContact CG1-CD2 4.22Å; V242-L339 HydrophobicContact CG1-CD1 3.81Å; V242-Q341 HydrophobicContact CG2-CB 3.74Å; V242-F342 HydrophobicContact CG1-CB 4.16Å; V242-F342 HydrophobicContact CG1-CD2 4.44Å; V242-F342 HydrophobicContact CG2-CB 3.85Å
243L88.2Confident83.5Confident5 Ų546.8 Ų46.83%0.02622%0.224CC..Hα-helixtrans-63-39.5-179.4-168.772.6000112L239 F240 V245 Y246 L247 V261 C297 L300 Y301L239-L243 WeakPolarHBondContact O-CB 3.48Å; L239-L243 PolarHBondContact O-N 2.68Å; F240-L243 PolarHBondContact O-N 3.24Å; L243-V245 PolarHBondContact O-N 3.39Å; L243-Y246 PolarHBondContact O-N 3.03Å; L243-L247 HydrophobicContact CD2-CD1 4.22Å; L243-L247 HydrophobicContact CG-CD1 4.11Å; L243-L247 HydrophobicContact CG-CG 4.22Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.96Å; L243-V261 HydrophobicContact CB-CG2 4.35Å; L243-V261 HydrophobicContact CD2-CB 4.15Å; L243-V261 HydrophobicContact CD2-CG1 3.31Å; L243-V261 HydrophobicContact CD2-CG2 3.88Å; L243-V261 HydrophobicContact CG-CG2 4.39Å; L243-C297 HydrophobicContact CD1-CB 4.19Å; L243-L300 HydrophobicContact CB-CD1 4.39Å; L243-L300 HydrophobicContact CD1-CB 3.57Å; L243-L300 HydrophobicContact CD1-CD1 3.97Å; L243-L300 HydrophobicContact CD1-CG 4.41Å; L243-Y301 HydrophobicContact CD1-CD2 3.83Å; L243-Y301 HydrophobicContact CD1-CE2 3.75Å; L243-Y301 HydrophobicContact CD1-CG 4.5Å; L243-Y301 HydrophobicContact CD2-CD1 4.06Å; L243-Y301 HydrophobicContact CD2-CD2 3.97Å; L243-Y301 HydrophobicContact CD2-CE1 3.57Å; L243-Y301 HydrophobicContact CD2-CE2 3.45Å; L243-Y301 VanDerWaalsContact CD2-CE2 3.45Å; L243-Y301 HydrophobicContact CD2-CG 4.22Å; L243-Y301 WeakPolarHBondContact CD2-OH 3.29Å; L243-Y301 HydrophobicContact CG-CD2 4.48Å; L243-Y301 HydrophobicContact CG-CE2 3.99Å
244Q89.7Confident84.7Confident81 Ų8156 Ų5638%0.37925%0.249SC..Hα-helixtrans-63.2-28.9-178.1-170140.48.500113F240 Q241 V242 Y246 S248 V261F240-Q244 VanDerWaalsContact O-CB 3.31Å; F240-Q244 WeakPolarHBondContact O-CB 3.48Å; F240-Q244 PolarHBondContact O-N 3Å; Q241-Q244 PolarHBondContact O-N 3.47Å; V242-Q244 VanDerWaalsContact C-N 3.32Å; V242-Q244 PolarHBondContact O-N 3.45Å; Q244-Y246 VanDerWaalsContact C-N 3.33Å; Q244-Y246 PolarHBondContact O-N 3.46Å; Q244-S248 WeakPolarHBondContact O-CB 3.22Å; Q244-S248 PolarHBondContact O-N 3.01Å; Q244-S248 PolarHBondContact O-OG 2.88Å; Q244-V261 HydrophobicContact CB-CG2 4.42Å
245V91.1Very high85.8Confident42 Ų4248.6 Ų48.626%0.25522%0.224SC..Hα-helixtrans-58.3-47.3171.71760000110.5Q241 V242 L243 R249 L339Q241-V245 PolarHBondContact O-N 3.39Å; V242-V245 WeakPolarHBondContact O-CB 3.45Å; V242-V245 PolarHBondContact O-N 3.05Å; L243-V245 PolarHBondContact O-N 3.39Å; V245-R249 VanDerWaalsContact O-CG 3.29Å; V245-R249 WeakPolarHBondContact O-CG 3.4Å; V245-R249 PolarHBondContact O-N 2.69Å; V245-L339 HydrophobicContact CG1-CD2 4.15Å; V245-L339 HydrophobicContact CG2-CD2 4.33Å
246Y91.8Very high86.8Confident0 Ų048 Ų480%022%0.222CC..Hα-helixtrans-78.9-37.9-177.1-60.7-76.5000112.7V242 L243 Q244 S248 R249 L250 W293 I296 C297 L300 E335 L336 L339V242-Y246 HydrophobicContact CG1-CE2 4.27Å; V242-Y246 VanDerWaalsContact O-CD2 3.3Å; V242-Y246 WeakPolarHBondContact O-CD2 3.14Å; L243-Y246 PolarHBondContact O-N 3.03Å; Q244-Y246 VanDerWaalsContact C-N 3.33Å; Q244-Y246 PolarHBondContact O-N 3.46Å; Y246-S248 VanDerWaalsContact C-N 3.28Å; Y246-S248 PolarHBondContact O-N 3.18Å; Y246-R249 WeakPolarHBondContact O-CB 3.41Å; Y246-R249 PolarHBondContact O-N 2.87Å; Y246-L250 WeakPolarHBondContact O-CG 3.47Å; Y246-L250 PolarHBondContact O-N 3.47Å; Y246-W293 HydrophobicContact CD1-CB 4.37Å; Y246-W293 AromaticContact CD1-CD1 3.7Å; Y246-W293 HydrophobicContact CD1-CG 4.18Å; Y246-I296 HydrophobicContact CD1-CB 4.48Å; Y246-I296 HydrophobicContact CD1-CD1 3.99Å; Y246-I296 HydrophobicContact CD1-CG2 4.37Å; Y246-I296 HydrophobicContact CD2-CB 4.47Å; Y246-I296 HydrophobicContact CD2-CG2 3.59Å; Y246-I296 HydrophobicContact CE1-CD1 3.36Å; Y246-I296 HydrophobicContact CE1-CG2 4.27Å; Y246-I296 HydrophobicContact CE2-CB 4.48Å; Y246-I296 HydrophobicContact CE2-CD1 4.35Å; Y246-I296 HydrophobicContact CE2-CG2 3.46Å; Y246-I296 VanDerWaalsContact CE2-CG2 3.46Å; Y246-I296 HydrophobicContact CG-CB 4.46Å; Y246-I296 HydrophobicContact CG-CG2 4.05Å; Y246-C297 VanDerWaalsContact CB-SG 3.56Å; Y246-L300 HydrophobicContact CD2-CD1 4.24Å; Y246-L300 HydrophobicContact CE2-CD1 4.39Å; Y246-E335 HydrophobicContact CE1-CG 4.02Å; Y246-E335 WeakPolarHBondContact OH-CG 3.44Å; Y246-L336 HydrophobicContact CE2-CD2 4.21Å; Y246-L339 HydrophobicContact CE2-CD1 3.45Å; Y246-L339 VanDerWaalsContact CE2-CD1 3.45Å; Y246-L339 VanDerWaalsContact OH-CD1 3.26Å; Y246-L339 WeakPolarHBondContact OH-CD1 3.38Å
247L92.4Very high87.5Confident0 Ų052.7 Ų52.70%025%0.254CS..Hα-helixtrans-59.1-42.7171.5-66.6178.3000111.2L243 R249 L250 C251 L256 V261 Y264 I269 Y301L243-L247 HydrophobicContact CD2-CD1 4.22Å; L243-L247 HydrophobicContact CG-CD1 4.11Å; L243-L247 HydrophobicContact CG-CG 4.22Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.96Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.36Å; L247-L250 PolarHBondContact O-N 2.96Å; L247-C251 WeakPolarHBondContact O-CB 3.4Å; L247-C251 PolarHBondContact O-N 2.96Å; L247-C251 PolarHBondContact O-SG 2.81Å; L247-L256 HydrophobicContact CD2-CD1 3.58Å; L247-V261 HydrophobicContact CD1-CB 4.24Å; L247-V261 HydrophobicContact CD1-CG2 3.68Å; L247-Y264 HydrophobicContact CD1-CD2 4.41Å; L247-Y264 HydrophobicContact CD2-CD2 4.21Å; L247-I269 HydrophobicContact CD2-CD1 3.98Å; L247-Y301 WeakPolarHBondContact CD1-OH 3.47Å; L247-Y301 HydrophobicContact CD2-CE2 4.25Å
248S92.1Very high88.1Confident28 Ų2850.5 Ų50.520%0.19624%0.243CC..Hα-helixtrans-63.5-38.2177.2-63.40000112.2Q244 Y246 K252Q244-S248 WeakPolarHBondContact O-CB 3.22Å; Q244-S248 PolarHBondContact O-N 3.01Å; Q244-S248 PolarHBondContact O-OG 2.88Å; Y246-S248 VanDerWaalsContact C-N 3.28Å; Y246-S248 PolarHBondContact O-N 3.18Å; S248-K252 WeakPolarHBondContact O-CG 3.44Å; S248-K252 PolarHBondContact O-N 3.42Å
249R92.8Very high88.1Confident72 Ų7256 Ų5627%0.27226%0.262SS..Hα-helixtrans-64.2-44.8174.5-70.5168.3-177.1-167.81.7111.3V245 Y246 L247 K252 E253 W293 E335V245-R249 VanDerWaalsContact O-CG 3.29Å; V245-R249 WeakPolarHBondContact O-CG 3.4Å; V245-R249 PolarHBondContact O-N 2.69Å; Y246-R249 WeakPolarHBondContact O-CB 3.41Å; Y246-R249 PolarHBondContact O-N 2.87Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.36Å; R249-K252 PolarHBondContact O-N 2.87Å; R249-E253 PolarHBondContact O-N 2.81Å; R249-W293 HydrophobicContact CB-CD2 3.96Å; R249-W293 HydrophobicContact CB-CE3 3.82Å; R249-W293 HydrophobicContact CB-CH2 3.95Å; R249-W293 HydrophobicContact CB-CZ2 4.07Å; R249-W293 HydrophobicContact CB-CZ3 3.83Å; R249-W293 HydrophobicContact CG-CH2 4.43Å; R249-W293 HydrophobicContact CG-CZ2 4.21Å; R249-E335 IonicContact CZ-OE1 3.78Å; R249-E335 IonicContact NH1-OE1 2.71Å; R249-E335 PolarHBondContact NH1-OE1 3.24Å; R249-E335 IonicContact NH2-OE1 3.97Å
250L93.4Very high88Confident0 Ų059.9 Ų59.90%028%0.283CS..Hα-helixtrans-66.9-36.6176.8-69.6169000112.9Y246 L247 E253 R254 L255 L256 I290 W293 F294Y246-L250 WeakPolarHBondContact O-CG 3.47Å; Y246-L250 PolarHBondContact O-N 3.47Å; L247-L250 PolarHBondContact O-N 2.96Å; L250-E253 PolarHBondContact O-N 2.93Å; L250-R254 PolarHBondContact O-N 3.24Å; L250-L255 HydrophobicContact CD2-CD1 3.95Å; L250-L255 PolarHBondContact O-N 3.24Å; L250-L256 HydrophobicContact CB-CD1 3.68Å; L250-L256 HydrophobicContact CB-CG 3.91Å; L250-L256 HydrophobicContact CD1-CD1 3.81Å; L250-L256 HydrophobicContact CG-CD1 4.4Å; L250-I290 HydrophobicContact CD2-CG2 4.06Å; L250-W293 HydrophobicContact CD1-CB 4.48Å; L250-W293 HydrophobicContact CD2-CB 4.09Å; L250-W293 HydrophobicContact CD2-CE3 4.1Å; L250-W293 HydrophobicContact CG-CB 4.18Å; L250-W293 HydrophobicContact CG-CE3 4.46Å; L250-F294 HydrophobicContact CD1-CD1 3.88Å; L250-F294 HydrophobicContact CD1-CE1 3.94Å; L250-F294 HydrophobicContact CD1-CG 4.36Å; L250-F294 HydrophobicContact CD1-CZ 4.49Å; L250-F294 HydrophobicContact CD2-CD1 4.33Å; L250-F294 HydrophobicContact CD2-CD2 3.98Å; L250-F294 HydrophobicContact CD2-CE1 4.16Å; L250-F294 HydrophobicContact CD2-CE2 3.8Å; L250-F294 HydrophobicContact CD2-CG 4.25Å; L250-F294 HydrophobicContact CD2-CZ 3.89Å
251C92.3Very high87.9Confident19 Ų1958.8 Ų58.813%0.12828%0.278CS..Hα-helixtrans-64.7-39.2173.8-69.70000112.2L247 E253 R254 A258 R259L247-C251 WeakPolarHBondContact O-CB 3.4Å; L247-C251 PolarHBondContact O-N 2.96Å; L247-C251 PolarHBondContact O-SG 2.81Å; C251-E253 PolarHBondContact O-N 3.29Å; C251-R254 WeakPolarHBondContact O-CA 3.3Å; C251-R254 PolarHBondContact O-N 2.58Å; C251-A258 PolarHBondContact SG-O 2.86Å; C251-R259 HydrophobicContact CB-CG 4.12Å
252K91.4Very high87.6Confident157 Ų15759.7 Ų59.768%0.68328%0.283SS*.Hα-helixtrans-61.2-33.8175.7-76.3174.5-179-175.60111.8S248 R249 R254S248-K252 WeakPolarHBondContact O-CG 3.44Å; S248-K252 PolarHBondContact O-N 3.42Å; R249-K252 PolarHBondContact O-N 2.87Å; K252-R254 PolarHBondContact O-N 3.07Å
253E90.3Very high87.3Confident64 Ų6465.1 Ų65.130%0.29931%0.308SS..THydrogen-bonded Turntrans-79.44.4173.1-62-61.516800113.7R249 L250 C251 L255 K286 I290 W293R249-E253 PolarHBondContact O-N 2.81Å; L250-E253 PolarHBondContact O-N 2.93Å; C251-E253 PolarHBondContact O-N 3.29Å; E253-L255 HydrophobicContact CB-CD1 3.87Å; E253-L255 HydrophobicContact CB-CG 3.91Å; E253-L255 PolarHBondContact O-N 2.82Å; E253-K286 VanDerWaalsContact CD-CE 3.4Å; E253-K286 WeakPolarHBondContact OE1-CE 3.33Å; E253-K286 IonicContact OE1-NZ 3.71Å; E253-K286 WeakPolarHBondContact OE2-CE 3.29Å; E253-K286 IonicContact OE2-NZ 2.66Å; E253-K286 PolarHBondContact OE2-NZ 2.81Å; E253-I290 HydrophobicContact CG-CD1 4.4Å; E253-W293 HydrophobicContact CG-CZ3 3.94Å
254R89.1Confident87.2Confident235 Ų23565.8 Ų65.889%0.88731%0.31SS*.THydrogen-bonded Turntrans58.425.8-177-54.2179.3179.8-179.5-1113.9L250 C251 K252L250-R254 PolarHBondContact O-N 3.24Å; C251-R254 WeakPolarHBondContact O-CA 3.3Å; C251-R254 PolarHBondContact O-N 2.58Å; K252-R254 PolarHBondContact O-N 3.07Å
255L90.1Very high86.9Confident30 Ų3064.3 Ų64.316%0.15731%0.308CS..SBendtrans-89-20.5178.3-61.5173.4000112.6L250 E253 F276 I290 F294L250-L255 HydrophobicContact CD2-CD1 3.95Å; L250-L255 PolarHBondContact O-N 3.24Å; E253-L255 HydrophobicContact CB-CD1 3.87Å; E253-L255 HydrophobicContact CB-CG 3.91Å; E253-L255 PolarHBondContact O-N 2.82Å; L255-F276 HydrophobicContact CD1-CD2 4.09Å; L255-F276 HydrophobicContact CD1-CE2 4.44Å; L255-F276 HydrophobicContact CD2-CB 4.41Å; L255-F276 HydrophobicContact CD2-CD2 3.72Å; L255-F276 HydrophobicContact CD2-CG 4.42Å; L255-I290 HydrophobicContact CD1-CB 4.5Å; L255-I290 HydrophobicContact CD1-CD1 4.07Å; L255-I290 HydrophobicContact CD1-CG1 4.26Å; L255-I290 HydrophobicContact CD1-CG2 3.44Å; L255-I290 VanDerWaalsContact CD1-CG2 3.44Å; L255-F294 HydrophobicContact CB-CZ 4.24Å; L255-F294 HydrophobicContact CD1-CE2 4.04Å; L255-F294 HydrophobicContact CD1-CZ 4.31Å
256L90.7Very high86.8Confident11 Ų1165 Ų656%0.05831%0.308CS..  trans-129.1146.8176.3-64.9-177.2000109.4L247 L250 Y264 I269 E272L247-L256 HydrophobicContact CD2-CD1 3.58Å; L250-L256 HydrophobicContact CB-CD1 3.68Å; L250-L256 HydrophobicContact CB-CG 3.91Å; L250-L256 HydrophobicContact CD1-CD1 3.81Å; L250-L256 HydrophobicContact CG-CD1 4.4Å; L256-Y264 HydrophobicContact CD1-CE2 4.43Å; L256-Y264 HydrophobicContact CD2-CD1 4.5Å; L256-Y264 HydrophobicContact CD2-CE1 3.86Å; L256-I269 HydrophobicContact CD1-CD1 4.11Å; L256-I269 HydrophobicContact CD2-CD1 4.31Å; L256-E272 HydrophobicContact CD2-CB 3.91Å; L256-E272 HydrophobicContact CD2-CG 3.88Å
257V83.3Confident86.6Confident144 Ų14469.4 Ų69.487%0.87334%0.338SS*.SBendtrans-88-38.5-173.4-176.60000112.7Y264V257-Y264 PolarHBondContact N-OH 2.85Å; V257-Y264 VanDerWaalsContact N-OH 3.07Å
258A82Confident86.5Confident23 Ų2371.8 Ų71.819%0.1935%0.35CS..  trans-116.4151.3-176.200000110C251 H263 Y264C251-A258 PolarHBondContact SG-O 2.86Å; A258-H263 HydrophobicContact CB-CB 4.03Å; A258-Y264 HydrophobicContact CB-CE2 4.21Å; A258-Y264 PolarHBondContact N-OH 3.5Å; A258-Y264 WeakPolarHBondContact O-CE2 3.18Å; A258-Y264 PolarHBondContact O-OH 3.38Å
259R75.1Confident86.5Confident143 Ų14370.5 Ų70.554%0.5434%0.341SS..  trans-92.8-14.4172.7-65.4-177-174.9175.64113.1C251 V261C251-R259 HydrophobicContact CB-CG 4.12Å; R259-V261 PolarHBondContact O-N 3.26Å
260D79.9Confident86.6Confident85 Ų8570.2 Ų70.246%0.45534%0.344SS..  trans-69.4130-177.3-162.7-19.3000110.2E262 H263 Y264D260-E262 VanDerWaalsContact C-N 3.26Å; D260-E262 PolarHBondContact O-N 2.84Å; D260-E262 PolarHBondContact OD1-N 3.18Å; D260-H263 HydrophobicContact CB-CB 4.32Å; D260-H263 WeakPolarHBondContact O-CB 3.27Å; D260-H263 PolarHBondContact O-N 3.4Å; D260-Y264 WeakPolarHBondContact O-CD2 3.32Å
261V77.9Confident86.6Confident1 Ų177.7 Ų77.71%0.00637%0.373CS..G310 helixtrans-63.6-36.7177.1172.40000110.4F240 L243 Q244 L247 R259 H263 Y264 Y301F240-V261 HydrophobicContact CB-CG2 4.39Å; F240-V261 HydrophobicContact CD1-CB 3.54Å; F240-V261 HydrophobicContact CD1-CG1 3.62Å; F240-V261 HydrophobicContact CD1-CG2 3.89Å; F240-V261 HydrophobicContact CD2-CG1 3.83Å; F240-V261 HydrophobicContact CE1-CB 3.44Å; F240-V261 VanDerWaalsContact CE1-CB 3.44Å; F240-V261 HydrophobicContact CE1-CG1 3.29Å; F240-V261 HydrophobicContact CE1-CG2 4.31Å; F240-V261 HydrophobicContact CE2-CB 4.42Å; F240-V261 HydrophobicContact CE2-CG1 3.44Å; F240-V261 VanDerWaalsContact CE2-CG1 3.44Å; F240-V261 HydrophobicContact CG-CB 4.12Å; F240-V261 HydrophobicContact CG-CG1 3.88Å; F240-V261 HydrophobicContact CG-CG2 4.15Å; F240-V261 HydrophobicContact CZ-CB 3.91Å; F240-V261 HydrophobicContact CZ-CG1 3.18Å; L243-V261 HydrophobicContact CB-CG2 4.35Å; L243-V261 HydrophobicContact CD2-CB 4.15Å; L243-V261 HydrophobicContact CD2-CG1 3.31Å; L243-V261 HydrophobicContact CD2-CG2 3.88Å; L243-V261 HydrophobicContact CG-CG2 4.39Å; Q244-V261 HydrophobicContact CB-CG2 4.42Å; L247-V261 HydrophobicContact CD1-CB 4.24Å; L247-V261 HydrophobicContact CD1-CG2 3.68Å; R259-V261 PolarHBondContact O-N 3.26Å; V261-H263 PolarHBondContact O-N 3.32Å; V261-Y264 PolarHBondContact O-N 3.11Å; V261-Y301 HydrophobicContact CG1-CE1 3.96Å; V261-Y301 PolarHBondContact O-OH 3.48Å; V261-Y301 VanDerWaalsContact O-OH 3.07Å
262E79.9Confident86.6Confident114 Ų11478.1 Ų78.153%0.53337%0.373SS..G310 helixtrans-68.8-21.3-175.6-58.4-163.4145.200113.1F240 D260 Y264F240-E262 HydrophobicContact CE1-CG 3.78Å; F240-E262 HydrophobicContact CZ-CG 4.31Å; D260-E262 VanDerWaalsContact C-N 3.26Å; D260-E262 PolarHBondContact O-N 2.84Å; D260-E262 PolarHBondContact OD1-N 3.18Å; E262-Y264 PolarHBondContact O-N 3.36Å
263H80.9Confident86.7Confident114 Ų11472.4 Ų72.453%0.52835%0.347SS..G310 helixtrans-69.2-21.2178.1-165.180000112.9A258 D260 V261A258-H263 HydrophobicContact CB-CB 4.03Å; D260-H263 HydrophobicContact CB-CB 4.32Å; D260-H263 WeakPolarHBondContact O-CB 3.27Å; D260-H263 PolarHBondContact O-N 3.4Å; V261-H263 PolarHBondContact O-N 3.32Å
264Y84.6Confident86.9Confident19 Ų1974.2 Ų74.28%0.07536%0.355CS..  trans-114154.7-176.5-58.5-76.4000112.3L247 L256 V257 A258 D260 V261 E262 I268 I269 Y301L247-Y264 HydrophobicContact CD1-CD2 4.41Å; L247-Y264 HydrophobicContact CD2-CD2 4.21Å; L256-Y264 HydrophobicContact CD1-CE2 4.43Å; L256-Y264 HydrophobicContact CD2-CD1 4.5Å; L256-Y264 HydrophobicContact CD2-CE1 3.86Å; V257-Y264 PolarHBondContact N-OH 2.85Å; V257-Y264 VanDerWaalsContact N-OH 3.07Å; A258-Y264 HydrophobicContact CB-CE2 4.21Å; A258-Y264 PolarHBondContact N-OH 3.5Å; A258-Y264 WeakPolarHBondContact O-CE2 3.18Å; A258-Y264 PolarHBondContact O-OH 3.38Å; D260-Y264 WeakPolarHBondContact O-CD2 3.32Å; V261-Y264 PolarHBondContact O-N 3.11Å; E262-Y264 PolarHBondContact O-N 3.36Å; Y264-I268 HydrophobicContact CD1-CB 4.3Å; Y264-I268 HydrophobicContact CD1-CG2 3.65Å; Y264-I268 HydrophobicContact CE1-CG2 4.18Å; Y264-I269 HydrophobicContact CD1-CD1 3.98Å; Y264-I269 HydrophobicContact CG-CD1 3.88Å; Y264-Y301 WeakPolarHBondContact CB-OH 3.26Å; Y264-Y301 WeakPolarHBondContact O-CE1 3.33Å
265S84.3Confident87Confident49 Ų4970.5 Ų70.534%0.34334%0.341SS..  trans-122.2166.5164.468.70000109C267 I268 I269S265-C267 PolarHBondContact O-N 3.29Å; S265-C267 VanDerWaalsContact O-N 3.13Å; S265-C267 PolarHBondContact OG-N 3.32Å; S265-I268 PolarHBondContact O-N 3.09Å; S265-I268 PolarHBondContact OG-N 3.01Å; S265-I269 PolarHBondContact O-N 3.28Å
266K88.4Confident87.1Confident57 Ų5769.8 Ų69.825%0.24834%0.337CS..Hα-helixtrans-49.3-39.7171.8-174.3178.769.9-161.10112.1L270 V298 H302 E305K266-L270 HydrophobicContact CG-CD1 4.28Å; K266-L270 WeakPolarHBondContact O-CG 3.34Å; K266-L270 PolarHBondContact O-N 2.8Å; K266-V298 HydrophobicContact CG-CG1 4.31Å; K266-H302 HydrophobicContact CD-CB 4.01Å; K266-H302 PolarHBondContact NZ-ND1 3.3Å; K266-E305 IonicContact NZ-OE1 3.64Å; K266-E305 IonicContact NZ-OE2 3.19Å; K266-E305 PolarHBondContact NZ-OE2 3.34Å
267C87.8Confident87.2Confident92 Ų9274.5 Ų74.562%0.62235%0.354SS*.Hα-helixtrans-65.2-45.1178.7-176.40000112.3S265 L270 R271S265-C267 PolarHBondContact O-N 3.29Å; S265-C267 VanDerWaalsContact O-N 3.13Å; S265-C267 PolarHBondContact OG-N 3.32Å; C267-L270 PolarHBondContact O-N 2.97Å; C267-R271 PolarHBondContact O-N 3.42Å
268I90Very high87.5Confident51 Ų5171.2 Ų71.226%0.26234%0.342SS..Hα-helixtrans-65.1-43.2178.7-60.2169.9000110.2Y264 S265 L270 R271 E272Y264-I268 HydrophobicContact CD1-CB 4.3Å; Y264-I268 HydrophobicContact CD1-CG2 3.65Å; Y264-I268 HydrophobicContact CE1-CG2 4.18Å; S265-I268 PolarHBondContact O-N 3.09Å; S265-I268 PolarHBondContact OG-N 3.01Å; I268-L270 VanDerWaalsContact C-N 3.33Å; I268-L270 PolarHBondContact O-N 3.43Å; I268-R271 WeakPolarHBondContact O-CB 3.33Å; I268-R271 PolarHBondContact O-N 2.81Å; I268-R271 VanDerWaalsContact O-N 3.12Å; I268-E272 HydrophobicContact CG2-CG 4.31Å; I268-E272 WeakPolarHBondContact O-CG 3.44Å; I268-E272 PolarHBondContact O-N 3.13Å
269I93.5Very high87.6Confident0 Ų074.8 Ų74.80%036%0.355CS..Hα-helixtrans-60.4-42.3176.6-64.7-58.6000111.7L247 L256 Y264 S265 R271 E272 R273 F294 C297 V298 Y301L247-I269 HydrophobicContact CD2-CD1 3.98Å; L256-I269 HydrophobicContact CD1-CD1 4.11Å; L256-I269 HydrophobicContact CD2-CD1 4.31Å; Y264-I269 HydrophobicContact CD1-CD1 3.98Å; Y264-I269 HydrophobicContact CG-CD1 3.88Å; S265-I269 PolarHBondContact O-N 3.28Å; I269-R271 VanDerWaalsContact C-N 3.33Å; I269-R271 PolarHBondContact O-N 2.91Å; I269-E272 PolarHBondContact O-N 3.43Å; I269-R273 WeakPolarHBondContact O-CB 3.45Å; I269-R273 PolarHBondContact O-N 3.31Å; I269-F294 HydrophobicContact CG2-CD1 4.05Å; I269-C297 HydrophobicContact CG2-CB 3.86Å; I269-V298 HydrophobicContact CG2-CG2 3.74Å; I269-Y301 HydrophobicContact CD1-CE2 3.94Å; I269-Y301 HydrophobicContact CG1-CD2 3.69Å; I269-Y301 HydrophobicContact CG1-CE2 3.48Å; I269-Y301 VanDerWaalsContact CG1-CE2 3.48Å
270L93.2Very high87.3Confident67 Ų6776.9 Ų76.935%0.35137%0.37SS..Hα-helixtrans-62.3-40.9174.9-75.7169.1000111.7K266 C267 I268 R273 E274 V298K266-L270 HydrophobicContact CG-CD1 4.28Å; K266-L270 WeakPolarHBondContact O-CG 3.34Å; K266-L270 PolarHBondContact O-N 2.8Å; C267-L270 PolarHBondContact O-N 2.97Å; I268-L270 VanDerWaalsContact C-N 3.33Å; I268-L270 PolarHBondContact O-N 3.43Å; L270-R273 WeakPolarHBondContact O-CB 3.37Å; L270-R273 PolarHBondContact O-N 3.36Å; L270-E274 WeakPolarHBondContact O-CG 3.26Å; L270-E274 PolarHBondContact O-N 2.99Å; L270-V298 HydrophobicContact CD2-CG1 4.26Å; L270-V298 HydrophobicContact CD2-CG2 3.73Å; L270-V298 HydrophobicContact CG-CG2 4.02Å
271R93.2Very high86.9Confident156 Ų15677.4 Ų77.459%0.58939%0.386SS*.Hα-helixtrans-64.6-46.5177.6-170.8-175.770.1-169.30.3112.2C267 I268 I269 R273 E274 R275C267-R271 PolarHBondContact O-N 3.42Å; I268-R271 WeakPolarHBondContact O-CB 3.33Å; I268-R271 PolarHBondContact O-N 2.81Å; I268-R271 VanDerWaalsContact O-N 3.12Å; I269-R271 VanDerWaalsContact C-N 3.33Å; I269-R271 PolarHBondContact O-N 2.91Å; R271-R273 VanDerWaalsContact C-N 3.28Å; R271-R273 PolarHBondContact O-N 2.79Å; R271-E274 PolarHBondContact O-N 3.21Å; R271-R275 PolarHBondContact O-N 3.25Å
272E93Very high87.2Confident28 Ų2879.5 Ų79.513%0.13140%0.4CS..Hα-helixtrans-67.5-30.8178-60.1-47.6132.800111.7L256 I268 I269 R275 F276 F294L256-E272 HydrophobicContact CD2-CB 3.91Å; L256-E272 HydrophobicContact CD2-CG 3.88Å; I268-E272 HydrophobicContact CG2-CG 4.31Å; I268-E272 WeakPolarHBondContact O-CG 3.44Å; I268-E272 PolarHBondContact O-N 3.13Å; I269-E272 PolarHBondContact O-N 3.43Å; E272-R275 PolarHBondContact O-N 3.46Å; E272-R275 IonicContact OE2-NH1 3.61Å; E272-F276 PolarHBondContact O-N 3.09Å; E272-F294 HydrophobicContact CB-CE1 4.29Å
273R94.4Very high87.5Confident38 Ų3876.5 Ų76.514%0.14339%0.392CS..Hα-helixtrans-62.8-46.8170.2-175.5-170.9-172.7173.84.8112I269 L270 R271 R275 F276 R277 E291 F294 S295I269-R273 WeakPolarHBondContact O-CB 3.45Å; I269-R273 PolarHBondContact O-N 3.31Å; L270-R273 WeakPolarHBondContact O-CB 3.37Å; L270-R273 PolarHBondContact O-N 3.36Å; R271-R273 VanDerWaalsContact C-N 3.28Å; R271-R273 PolarHBondContact O-N 2.79Å; R273-R275 VanDerWaalsContact C-N 3.3Å; R273-R275 PolarHBondContact O-N 3.17Å; R273-F276 WeakPolarHBondContact O-CB 3.42Å; R273-F276 PolarHBondContact O-N 3.04Å; R273-R277 VanDerWaalsContact NE-NH2 3.14Å; R273-R277 WeakPolarHBondContact O-CG 3.22Å; R273-R277 PolarHBondContact O-N 3.37Å; R273-E291 IonicContact CZ-OE2 2.76Å; R273-E291 IonicContact NE-OE1 2.89Å; R273-E291 IonicContact NE-OE2 3.21Å; R273-E291 PolarHBondContact NE-OE2 3.43Å; R273-E291 IonicContact NH2-OE2 2.69Å; R273-E291 PolarHBondContact NH2-OE2 2.93Å; R273-F294 HydrophobicContact CB-CB 4.16Å; R273-F294 HydrophobicContact CB-CD1 3.82Å; R273-F294 HydrophobicContact CB-CD2 4.17Å; R273-F294 HydrophobicContact CB-CE1 4.19Å; R273-F294 HydrophobicContact CB-CG 3.81Å; R273-F294 HydrophobicContact CG-CB 3.82Å; R273-F294 HydrophobicContact CG-CD1 4.36Å; R273-F294 HydrophobicContact CG-CD2 4.01Å; R273-F294 HydrophobicContact CG-CG 3.84Å; R273-S295 PolarHBondContact NH2-OG 3.06Å
274E93.4Very high87.8Confident101 Ų10174 Ų7447%0.47239%0.391SS..Hα-helixtrans-63.6-37.9176.3-70.4-56.7143.200111.7L270 R271 F276 R277 A278L270-E274 WeakPolarHBondContact O-CG 3.26Å; L270-E274 PolarHBondContact O-N 2.99Å; R271-E274 PolarHBondContact O-N 3.21Å; E274-F276 VanDerWaalsContact C-N 3.34Å; E274-F276 PolarHBondContact O-N 3.32Å; E274-R277 PolarHBondContact O-N 3.36Å; E274-R277 IonicContact OE1-CZ 3.92Å; E274-R277 IonicContact OE1-NH1 3.71Å; E274-R277 PolarHBondContact OE1-NH1 3.09Å; E274-A278 PolarHBondContact O-N 2.87Å; E274-A278 VanDerWaalsContact O-N 3.1Å
275R92Very high87.9Confident158 Ų15881.5 Ų81.560%0.59642%0.419SS*.Hα-helixtrans-60.9-42.6173.2-171.8-178.2-176.4-175.11.1112.2R271 E272 R273 A278 Q279R271-R275 PolarHBondContact O-N 3.25Å; E272-R275 PolarHBondContact O-N 3.46Å; E272-R275 IonicContact OE2-NH1 3.61Å; R273-R275 VanDerWaalsContact C-N 3.3Å; R273-R275 PolarHBondContact O-N 3.17Å; R275-A278 PolarHBondContact O-N 3.47Å; R275-Q279 WeakPolarHBondContact O-CG 3.25Å
276F92Very high88.1Confident14 Ų1482.3 Ų82.36%0.06142%0.416CS..Hα-helixtrans-62.5-43.8174.3167.3-106.4000111.9L255 E272 R273 E274 A278 Q279 R287 I290 E291 F294L255-F276 HydrophobicContact CD1-CD2 4.09Å; L255-F276 HydrophobicContact CD1-CE2 4.44Å; L255-F276 HydrophobicContact CD2-CB 4.41Å; L255-F276 HydrophobicContact CD2-CD2 3.72Å; L255-F276 HydrophobicContact CD2-CG 4.42Å; E272-F276 PolarHBondContact O-N 3.09Å; R273-F276 WeakPolarHBondContact O-CB 3.42Å; R273-F276 PolarHBondContact O-N 3.04Å; E274-F276 VanDerWaalsContact C-N 3.34Å; E274-F276 PolarHBondContact O-N 3.32Å; F276-A278 PolarHBondContact O-N 2.96Å; F276-Q279 WeakPolarHBondContact O-CB 3.28Å; F276-Q279 PolarHBondContact O-N 3.37Å; F276-R287 HydrophobicContact CE1-CG 4.03Å; F276-R287 HydrophobicContact CZ-CB 4.41Å; F276-R287 HydrophobicContact CZ-CG 3.91Å; F276-I290 HydrophobicContact CD1-CG2 3.81Å; F276-I290 HydrophobicContact CD2-CG2 4.16Å; F276-I290 HydrophobicContact CE1-CB 4Å; F276-I290 HydrophobicContact CE1-CG2 3.5Å; F276-I290 HydrophobicContact CE2-CB 4.39Å; F276-I290 HydrophobicContact CE2-CD1 3.86Å; F276-I290 HydrophobicContact CE2-CG2 3.88Å; F276-I290 HydrophobicContact CG-CG2 4.12Å; F276-I290 HydrophobicContact CZ-CB 3.8Å; F276-I290 HydrophobicContact CZ-CD1 3.9Å; F276-I290 HydrophobicContact CZ-CG1 4.47Å; F276-I290 HydrophobicContact CZ-CG2 3.54Å; F276-E291 HydrophobicContact CE1-CG 4.3Å; F276-F294 HydrophobicContact CB-CE2 3.87Å; F276-F294 HydrophobicContact CB-CZ 4.35Å; F276-F294 HydrophobicContact CD1-CD2 4.33Å; F276-F294 HydrophobicContact CD1-CE2 4.01Å; F276-F294 AromaticContact CG-CE2 3.98Å; F276-F294 HydrophobicContact CG-CE2 3.98Å
277R91.7Very high88.2Confident110 Ų11085.9 Ų85.942%0.41543%0.428SS..Hα-helixtrans-60.2-32.5177.6-73.4168.2172.1-165.5-16.5113.4R273 E274 Q279 E291R273-R277 VanDerWaalsContact NE-NH2 3.14Å; R273-R277 WeakPolarHBondContact O-CG 3.22Å; R273-R277 PolarHBondContact O-N 3.37Å; E274-R277 PolarHBondContact O-N 3.36Å; E274-R277 IonicContact OE1-CZ 3.92Å; E274-R277 IonicContact OE1-NH1 3.71Å; E274-R277 PolarHBondContact OE1-NH1 3.09Å; R277-Q279 PolarHBondContact O-N 2.95Å; R277-E291 WeakPolarHBondContact CG-OE1 3.46Å; R277-E291 IonicContact CZ-OE1 3.6Å; R277-E291 IonicContact CZ-OE2 3.81Å; R277-E291 IonicContact NE-OE1 3.43Å; R277-E291 PolarHBondContact NE-OE1 2.56Å; R277-E291 IonicContact NE-OE2 2.81Å; R277-E291 PolarHBondContact NE-OE2 3.06Å; R277-E291 IonicContact NH2-OE1 3.8Å; R277-E291 IonicContact NH2-OE2 2.66Å; R277-E291 PolarHBondContact NH2-OE2 3.44Å
278A89.7Confident88.3Confident75 Ų7585.2 Ų85.262%0.6242%0.419SS*.THydrogen-bonded Turntrans-73.7-13.5176.900000113.2E274 R275 F276E274-A278 PolarHBondContact O-N 2.87Å; E274-A278 VanDerWaalsContact O-N 3.1Å; R275-A278 PolarHBondContact O-N 3.47Å; F276-A278 PolarHBondContact O-N 2.96Å
279Q84.9Confident88.4Confident99 Ų9987.5 Ų87.546%0.46343%0.427SS..  trans-92.9125179-66.3173-1.700110.5R275 F276 R277 A281R275-Q279 WeakPolarHBondContact O-CG 3.25Å; F276-Q279 WeakPolarHBondContact O-CB 3.28Å; F276-Q279 PolarHBondContact O-N 3.37Å; R277-Q279 PolarHBondContact O-N 2.95Å; Q279-A281 VanDerWaalsContact C-N 3.31Å; Q279-A281 PolarHBondContact O-N 3.48Å
280H69.9Low88.3Confident187 Ų18787.7 Ų87.787%0.86643%0.428SS*.  trans-87.113.2-177.9-69.2-69.1000114.8C282H280-C282 PolarHBondContact O-N 3.41Å
281A71.4Confident88.3Confident95 Ų9585.9 Ų85.979%0.78542%0.417SS*.  trans-101.631.3-157.500000116.4Q279Q279-A281 VanDerWaalsContact C-N 3.31Å; Q279-A281 PolarHBondContact O-N 3.48Å
282C82.8Confident88.3Confident45 Ų4581.6 Ų81.630%0.30440%0.404SS..SBendtrans-145.5159.9171.973.50000114.1H280 K286H280-C282 PolarHBondContact O-N 3.41Å; C282-K286 HydrophobicContact CB-CB 4.48Å; C282-K286 HydrophobicContact CB-CD 4.26Å; C282-K286 HydrophobicContact CB-CG 4.46Å
283S86.8Confident88.4Confident51 Ų5181.2 Ų81.236%0.35740%0.401SS..  trans-62.6152.3176.458.10000111.9W285 K286 R287S283-W285 VanDerWaalsContact C-N 3.34Å; S283-W285 PolarHBondContact O-N 3.02Å; S283-W285 PolarHBondContact OG-NE1 3.45Å; S283-K286 PolarHBondContact O-N 3.48Å; S283-K286 VanDerWaalsContact O-N 3.11Å; S283-K286 VanDerWaalsContact OG-CB 3.25Å; S283-K286 WeakPolarHBondContact OG-CB 3.48Å; S283-R287 WeakPolarHBondContact O-CB 3.19Å; S283-R287 PolarHBondContact O-N 3.01Å
284A86.6Confident88.4Confident61 Ų6179.4 Ų79.450%0.50439%0.394SS..Hα-helixtrans-53.6-47.4-178.700000112.8K286 R287 D288A284-K286 VanDerWaalsContact C-N 3.33Å; A284-K286 PolarHBondContact O-N 3.1Å; A284-R287 WeakPolarHBondContact O-CB 3.1Å; A284-R287 PolarHBondContact O-N 2.82Å; A284-D288 VanDerWaalsContact O-CG 3.24Å; A284-D288 PolarHBondContact O-N 3.47Å
285W86.6Confident88.4Confident178 Ų17875.6 Ų75.667%0.67438%0.379SS*.Hα-helixtrans-61.2-39.2179.375.9-92.1000113.1S283 K289S283-W285 VanDerWaalsContact C-N 3.34Å; S283-W285 PolarHBondContact O-N 3.02Å; S283-W285 PolarHBondContact OG-NE1 3.45Å; W285-K289 WeakPolarHBondContact O-CB 3.25Å; W285-K289 PolarHBondContact O-N 3.47Å
286K89.5Confident88.4Confident65 Ų6568.1 Ų68.128%0.28335%0.351SS..Hα-helixtrans-71.4-40.1179.6-174.9172.6-179.4178.80110E253 C282 S283 A284 K289 I290E253-K286 VanDerWaalsContact CD-CE 3.4Å; E253-K286 WeakPolarHBondContact OE1-CE 3.33Å; E253-K286 IonicContact OE1-NZ 3.71Å; E253-K286 WeakPolarHBondContact OE2-CE 3.29Å; E253-K286 IonicContact OE2-NZ 2.66Å; E253-K286 PolarHBondContact OE2-NZ 2.81Å; C282-K286 HydrophobicContact CB-CB 4.48Å; C282-K286 HydrophobicContact CB-CD 4.26Å; C282-K286 HydrophobicContact CB-CG 4.46Å; S283-K286 PolarHBondContact O-N 3.48Å; S283-K286 VanDerWaalsContact O-N 3.11Å; S283-K286 VanDerWaalsContact OG-CB 3.25Å; S283-K286 WeakPolarHBondContact OG-CB 3.48Å; A284-K286 VanDerWaalsContact C-N 3.33Å; A284-K286 PolarHBondContact O-N 3.1Å; K286-K289 PolarHBondContact O-N 2.92Å; K286-I290 HydrophobicContact CG-CD1 3.89Å; K286-I290 WeakPolarHBondContact O-CG1 3.37Å; K286-I290 PolarHBondContact O-N 3.02Å
287R90.1Very high88.5Confident132 Ų13267.4 Ų67.450%0.49835%0.348SS..Hα-helixtrans-58.8-49.4175.9-170.7-176.963.7-172.5-2.3111.9F276 S283 A284 K289 I290 E291F276-R287 HydrophobicContact CE1-CG 4.03Å; F276-R287 HydrophobicContact CZ-CB 4.41Å; F276-R287 HydrophobicContact CZ-CG 3.91Å; S283-R287 WeakPolarHBondContact O-CB 3.19Å; S283-R287 PolarHBondContact O-N 3.01Å; A284-R287 WeakPolarHBondContact O-CB 3.1Å; A284-R287 PolarHBondContact O-N 2.82Å; R287-K289 VanDerWaalsContact C-N 3.3Å; R287-K289 PolarHBondContact O-N 3.38Å; R287-I290 PolarHBondContact O-N 3.17Å; R287-E291 PolarHBondContact O-N 3.08Å
288D89.5Confident88.5Confident78 Ų7863.5 Ų63.542%0.41734%0.336SS..Hα-helixtrans-64.2-38.7-178-63.7-11000111.1A284 E291 H292A284-D288 VanDerWaalsContact O-CG 3.24Å; A284-D288 PolarHBondContact O-N 3.47Å; D288-E291 PolarHBondContact O-N 3.4Å; D288-H292 VanDerWaalsContact O-CG 3.3Å; D288-H292 PolarHBondContact O-N 3.01Å
289K91.8Very high88.6Confident99 Ų9960.9 Ų60.943%0.4331%0.312SS..Hα-helixtrans-63.6-43.4175.4-162.9179-166.1-179.30112.8W285 K286 R287 H292 W293W285-K289 WeakPolarHBondContact O-CB 3.25Å; W285-K289 PolarHBondContact O-N 3.47Å; K286-K289 PolarHBondContact O-N 2.92Å; R287-K289 VanDerWaalsContact C-N 3.3Å; R287-K289 PolarHBondContact O-N 3.38Å; K289-H292 WeakPolarHBondContact O-CB 3.47Å; K289-H292 PolarHBondContact O-N 3.43Å; K289-W293 HydrophobicContact CD-CH2 4.23Å; K289-W293 HydrophobicContact CD-CZ2 3.74Å; K289-W293 HydrophobicContact CG-CH2 4.42Å; K289-W293 HydrophobicContact CG-CZ2 3.79Å; K289-W293 PolarHBondContact O-N 3.37Å; K289-W293 VanDerWaalsContact O-N 3.09Å
290I92.8Very high88.8Confident4 Ų456.2 Ų56.22%0.02129%0.29CS..Hα-helixtrans-66.1-41.7176.6-70.5163.6000110.6L250 E253 L255 F276 K286 R287 H292 W293 F294L250-I290 HydrophobicContact CD2-CG2 4.06Å; E253-I290 HydrophobicContact CG-CD1 4.4Å; L255-I290 HydrophobicContact CD1-CB 4.5Å; L255-I290 HydrophobicContact CD1-CD1 4.07Å; L255-I290 HydrophobicContact CD1-CG1 4.26Å; L255-I290 HydrophobicContact CD1-CG2 3.44Å; L255-I290 VanDerWaalsContact CD1-CG2 3.44Å; F276-I290 HydrophobicContact CD1-CG2 3.81Å; F276-I290 HydrophobicContact CD2-CG2 4.16Å; F276-I290 HydrophobicContact CE1-CB 4Å; F276-I290 HydrophobicContact CE1-CG2 3.5Å; F276-I290 HydrophobicContact CE2-CB 4.39Å; F276-I290 HydrophobicContact CE2-CD1 3.86Å; F276-I290 HydrophobicContact CE2-CG2 3.88Å; F276-I290 HydrophobicContact CG-CG2 4.12Å; F276-I290 HydrophobicContact CZ-CB 3.8Å; F276-I290 HydrophobicContact CZ-CD1 3.9Å; F276-I290 HydrophobicContact CZ-CG1 4.47Å; F276-I290 HydrophobicContact CZ-CG2 3.54Å; K286-I290 HydrophobicContact CG-CD1 3.89Å; K286-I290 WeakPolarHBondContact O-CG1 3.37Å; K286-I290 PolarHBondContact O-N 3.02Å; R287-I290 PolarHBondContact O-N 3.17Å; I290-H292 VanDerWaalsContact C-N 3.29Å; I290-H292 PolarHBondContact O-N 2.95Å; I290-W293 HydrophobicContact CG1-CE3 4.13Å; I290-W293 HydrophobicContact CG1-CZ3 4.11Å; I290-W293 PolarHBondContact O-N 2.88Å; I290-W293 VanDerWaalsContact O-N 3.16Å; I290-F294 HydrophobicContact CG2-CD2 3.65Å; I290-F294 HydrophobicContact CG2-CE2 3.54Å; I290-F294 WeakPolarHBondContact O-CD2 3.47Å; I290-F294 PolarHBondContact O-N 3.21Å
291E92.7Very high89.8Confident29 Ų2947.6 Ų47.614%0.13625%0.25CC..Hα-helixtrans-58.9-39.4174.2-83.9-68.4151.500112.3R273 F276 R277 R287 D288 S295R273-E291 IonicContact CZ-OE2 2.76Å; R273-E291 IonicContact NE-OE1 2.89Å; R273-E291 IonicContact NE-OE2 3.21Å; R273-E291 PolarHBondContact NE-OE2 3.43Å; R273-E291 IonicContact NH2-OE2 2.69Å; R273-E291 PolarHBondContact NH2-OE2 2.93Å; F276-E291 HydrophobicContact CE1-CG 4.3Å; R277-E291 WeakPolarHBondContact CG-OE1 3.46Å; R277-E291 IonicContact CZ-OE1 3.6Å; R277-E291 IonicContact CZ-OE2 3.81Å; R277-E291 IonicContact NE-OE1 3.43Å; R277-E291 PolarHBondContact NE-OE1 2.56Å; R277-E291 IonicContact NE-OE2 2.81Å; R277-E291 PolarHBondContact NE-OE2 3.06Å; R277-E291 IonicContact NH2-OE1 3.8Å; R277-E291 IonicContact NH2-OE2 2.66Å; R277-E291 PolarHBondContact NH2-OE2 3.44Å; R287-E291 PolarHBondContact O-N 3.08Å; D288-E291 PolarHBondContact O-N 3.4Å; E291-S295 VanDerWaalsContact O-CB 3.31Å; E291-S295 WeakPolarHBondContact O-CB 3.25Å; E291-S295 PolarHBondContact O-N 3.15Å; E291-S295 PolarHBondContact O-OG 3.42Å
292H92.9Very high90.6Very high67 Ų6745.2 Ų45.231%0.3122%0.222SC..Hα-helixtrans-63.1-46.2173.2-70.6172.2000111.7D288 K289 I290 F294 S295 I296 W331D288-H292 VanDerWaalsContact O-CG 3.3Å; D288-H292 PolarHBondContact O-N 3.01Å; K289-H292 WeakPolarHBondContact O-CB 3.47Å; K289-H292 PolarHBondContact O-N 3.43Å; I290-H292 VanDerWaalsContact C-N 3.29Å; I290-H292 PolarHBondContact O-N 2.95Å; H292-F294 PolarHBondContact O-N 3.43Å; H292-S295 WeakPolarHBondContact O-CB 3.35Å; H292-S295 PolarHBondContact O-N 3.17Å; H292-I296 WeakPolarHBondContact O-CG1 3.27Å; H292-I296 PolarHBondContact O-N 2.98Å; H292-W331 HydrophobicContact CB-CE3 3.95Å; H292-W331 HydrophobicContact CB-CH2 3.94Å; H292-W331 HydrophobicContact CB-CZ3 3.57Å; H292-W331 AromaticContact CD2-CD2 3.79Å; H292-W331 AromaticContact CD2-CE2 3.57Å; H292-W331 AromaticContact CD2-CH2 3.92Å; H292-W331 AromaticContact CD2-CZ2 3.66Å; H292-W331 AromaticContact CE1-CD2 3.88Å; H292-W331 AromaticContact CE1-CG 3.91Å; H292-W331 AromaticContact CG-CD2 3.91Å; H292-W331 AromaticContact CG-CE3 3.69Å; H292-W331 AromaticContact CG-CZ3 3.75Å; H292-W331 AromaticContact ND1-CD2 3.96Å; H292-W331 AromaticContact ND1-CE3 3.86Å; H292-W331 AromaticContact NE2-CD1 3.88Å; H292-W331 AromaticContact NE2-CD2 3.77Å; H292-W331 AromaticContact NE2-CE2 3.67Å; H292-W331 AromaticContact NE2-CG 3.98Å; H292-W331 AromaticContact NE2-NE1 3.67Å
293W94.5Very high90.9Very high19 Ų1943 Ų437%0.07221%0.207CC..Hα-helixtrans-61.5-45.2177.8-61.9-19.6000112.5Y246 R249 L250 E253 K289 I290 S295 I296 C297Y246-W293 HydrophobicContact CD1-CB 4.37Å; Y246-W293 AromaticContact CD1-CD1 3.7Å; Y246-W293 HydrophobicContact CD1-CG 4.18Å; R249-W293 HydrophobicContact CB-CD2 3.96Å; R249-W293 HydrophobicContact CB-CE3 3.82Å; R249-W293 HydrophobicContact CB-CH2 3.95Å; R249-W293 HydrophobicContact CB-CZ2 4.07Å; R249-W293 HydrophobicContact CB-CZ3 3.83Å; R249-W293 HydrophobicContact CG-CH2 4.43Å; R249-W293 HydrophobicContact CG-CZ2 4.21Å; L250-W293 HydrophobicContact CD1-CB 4.48Å; L250-W293 HydrophobicContact CD2-CB 4.09Å; L250-W293 HydrophobicContact CD2-CE3 4.1Å; L250-W293 HydrophobicContact CG-CB 4.18Å; L250-W293 HydrophobicContact CG-CE3 4.46Å; E253-W293 HydrophobicContact CG-CZ3 3.94Å; K289-W293 HydrophobicContact CD-CH2 4.23Å; K289-W293 HydrophobicContact CD-CZ2 3.74Å; K289-W293 HydrophobicContact CG-CH2 4.42Å; K289-W293 HydrophobicContact CG-CZ2 3.79Å; K289-W293 PolarHBondContact O-N 3.37Å; K289-W293 VanDerWaalsContact O-N 3.09Å; I290-W293 HydrophobicContact CG1-CE3 4.13Å; I290-W293 HydrophobicContact CG1-CZ3 4.11Å; I290-W293 PolarHBondContact O-N 2.88Å; I290-W293 VanDerWaalsContact O-N 3.16Å; W293-S295 VanDerWaalsContact C-N 3.31Å; W293-S295 PolarHBondContact O-N 2.99Å; W293-I296 PolarHBondContact O-N 3.36Å; W293-C297 PolarHBondContact O-N 3.01Å; W293-C297 PolarHBondContact O-SG 3.33Å; W293-C297 VanDerWaalsContact O-SG 3.38Å
294F95.1Very high90.7Very high0 Ų042.1 Ų42.10%020%0.196CC..Hα-helixtrans-59.5-43.2173.5-83.5-61.9000111.9L250 L255 I269 E272 R273 F276 I290 H292 I296 C297 V298L250-F294 HydrophobicContact CD1-CD1 3.88Å; L250-F294 HydrophobicContact CD1-CE1 3.94Å; L250-F294 HydrophobicContact CD1-CG 4.36Å; L250-F294 HydrophobicContact CD1-CZ 4.49Å; L250-F294 HydrophobicContact CD2-CD1 4.33Å; L250-F294 HydrophobicContact CD2-CD2 3.98Å; L250-F294 HydrophobicContact CD2-CE1 4.16Å; L250-F294 HydrophobicContact CD2-CE2 3.8Å; L250-F294 HydrophobicContact CD2-CG 4.25Å; L250-F294 HydrophobicContact CD2-CZ 3.89Å; L255-F294 HydrophobicContact CB-CZ 4.24Å; L255-F294 HydrophobicContact CD1-CE2 4.04Å; L255-F294 HydrophobicContact CD1-CZ 4.31Å; I269-F294 HydrophobicContact CG2-CD1 4.05Å; E272-F294 HydrophobicContact CB-CE1 4.29Å; R273-F294 HydrophobicContact CB-CB 4.16Å; R273-F294 HydrophobicContact CB-CD1 3.82Å; R273-F294 HydrophobicContact CB-CD2 4.17Å; R273-F294 HydrophobicContact CB-CE1 4.19Å; R273-F294 HydrophobicContact CB-CG 3.81Å; R273-F294 HydrophobicContact CG-CB 3.82Å; R273-F294 HydrophobicContact CG-CD1 4.36Å; R273-F294 HydrophobicContact CG-CD2 4.01Å; R273-F294 HydrophobicContact CG-CG 3.84Å; F276-F294 HydrophobicContact CB-CE2 3.87Å; F276-F294 HydrophobicContact CB-CZ 4.35Å; F276-F294 HydrophobicContact CD1-CD2 4.33Å; F276-F294 HydrophobicContact CD1-CE2 4.01Å; F276-F294 AromaticContact CG-CE2 3.98Å; F276-F294 HydrophobicContact CG-CE2 3.98Å; I290-F294 HydrophobicContact CG2-CD2 3.65Å; I290-F294 HydrophobicContact CG2-CE2 3.54Å; I290-F294 WeakPolarHBondContact O-CD2 3.47Å; I290-F294 PolarHBondContact O-N 3.21Å; H292-F294 PolarHBondContact O-N 3.43Å; F294-I296 VanDerWaalsContact C-N 3.35Å; F294-I296 PolarHBondContact O-N 2.92Å; F294-C297 PolarHBondContact O-N 3.48Å; F294-V298 WeakPolarHBondContact O-CG2 3.48Å; F294-V298 PolarHBondContact O-N 3.45Å
295S93Very high90.5Very high21 Ų2142.1 Ų42.115%0.14719%0.186CC..Hα-helixtrans-62.3-41.6178.9-610000111.9R273 E291 H292 W293 V298 I299R273-S295 PolarHBondContact NH2-OG 3.06Å; E291-S295 VanDerWaalsContact O-CB 3.31Å; E291-S295 WeakPolarHBondContact O-CB 3.25Å; E291-S295 PolarHBondContact O-N 3.15Å; E291-S295 PolarHBondContact O-OG 3.42Å; H292-S295 WeakPolarHBondContact O-CB 3.35Å; H292-S295 PolarHBondContact O-N 3.17Å; W293-S295 VanDerWaalsContact C-N 3.31Å; W293-S295 PolarHBondContact O-N 2.99Å; S295-V298 PolarHBondContact O-N 2.79Å; S295-I299 WeakPolarHBondContact O-CD1 3.35Å; S295-I299 VanDerWaalsContact O-CG1 3.31Å; S295-I299 WeakPolarHBondContact O-CG1 3.48Å; S295-I299 PolarHBondContact O-N 2.81Å; S295-I299 VanDerWaalsContact O-N 3.08Å
296I92.9Very high90.4Very high1 Ų133.8 Ų33.81%0.00515%0.154CC..Hα-helixtrans-63.3-47.8174.7-66.3166.7000110.6Y246 H292 W293 F294 V298 I299 L300 W331 L332 E335 L336Y246-I296 HydrophobicContact CD1-CB 4.48Å; Y246-I296 HydrophobicContact CD1-CD1 3.99Å; Y246-I296 HydrophobicContact CD1-CG2 4.37Å; Y246-I296 HydrophobicContact CD2-CB 4.47Å; Y246-I296 HydrophobicContact CD2-CG2 3.59Å; Y246-I296 HydrophobicContact CE1-CD1 3.36Å; Y246-I296 HydrophobicContact CE1-CG2 4.27Å; Y246-I296 HydrophobicContact CE2-CB 4.48Å; Y246-I296 HydrophobicContact CE2-CD1 4.35Å; Y246-I296 HydrophobicContact CE2-CG2 3.46Å; Y246-I296 VanDerWaalsContact CE2-CG2 3.46Å; Y246-I296 HydrophobicContact CG-CB 4.46Å; Y246-I296 HydrophobicContact CG-CG2 4.05Å; H292-I296 WeakPolarHBondContact O-CG1 3.27Å; H292-I296 PolarHBondContact O-N 2.98Å; W293-I296 PolarHBondContact O-N 3.36Å; F294-I296 VanDerWaalsContact C-N 3.35Å; F294-I296 PolarHBondContact O-N 2.92Å; I296-V298 VanDerWaalsContact C-N 3.3Å; I296-V298 PolarHBondContact O-N 3.21Å; I296-I299 PolarHBondContact O-N 3.1Å; I296-I299 VanDerWaalsContact O-N 3.11Å; I296-L300 HydrophobicContact CG2-CD1 3.55Å; I296-L300 HydrophobicContact CG2-CG 3.99Å; I296-L300 WeakPolarHBondContact O-CG 3.43Å; I296-L300 PolarHBondContact O-N 3.19Å; I296-W331 HydrophobicContact CD1-CZ3 3.85Å; I296-W331 HydrophobicContact CG1-CH2 4.11Å; I296-W331 HydrophobicContact CG1-CZ3 3.76Å; I296-L332 HydrophobicContact CD1-CD1 4.41Å; I296-L332 HydrophobicContact CG1-CD1 3.59Å; I296-E335 HydrophobicContact CD1-CB 4.31Å; I296-E335 HydrophobicContact CD1-CG 3.75Å; I296-L336 HydrophobicContact CG2-CD2 4.1Å
297C92.9Very high90Very high0 Ų030.9 Ų30.90%014%0.142CC..Hα-helixtrans-55-46.6176.5-71.80000111.4L243 Y246 I269 W293 F294 I299 L300 Y301L243-C297 HydrophobicContact CD1-CB 4.19Å; Y246-C297 VanDerWaalsContact CB-SG 3.56Å; I269-C297 HydrophobicContact CG2-CB 3.86Å; W293-C297 PolarHBondContact O-N 3.01Å; W293-C297 PolarHBondContact O-SG 3.33Å; W293-C297 VanDerWaalsContact O-SG 3.38Å; F294-C297 PolarHBondContact O-N 3.48Å; C297-I299 VanDerWaalsContact C-N 3.32Å; C297-I299 PolarHBondContact O-N 3.45Å; C297-L300 PolarHBondContact O-N 3.1Å; C297-Y301 HydrophobicContact CB-CD2 4.37Å; C297-Y301 WeakPolarHBondContact O-CB 3.35Å; C297-Y301 WeakPolarHBondContact O-CD2 3.35Å; C297-Y301 PolarHBondContact O-N 3.37Å
298V92.4Very high89.3Confident27 Ų2726 Ų2616%0.16413%0.127CC..Hα-helixtrans-59.4-42.3177.9171.50000111.9K266 I269 L270 F294 S295 I296 H302K266-V298 HydrophobicContact CG-CG1 4.31Å; I269-V298 HydrophobicContact CG2-CG2 3.74Å; L270-V298 HydrophobicContact CD2-CG1 4.26Å; L270-V298 HydrophobicContact CD2-CG2 3.73Å; L270-V298 HydrophobicContact CG-CG2 4.02Å; F294-V298 WeakPolarHBondContact O-CG2 3.48Å; F294-V298 PolarHBondContact O-N 3.45Å; S295-V298 PolarHBondContact O-N 2.79Å; I296-V298 VanDerWaalsContact C-N 3.3Å; I296-V298 PolarHBondContact O-N 3.21Å; V298-H302 WeakPolarHBondContact O-CB 3.25Å; V298-H302 PolarHBondContact O-N 2.86Å
299I90.9Very high88.8Confident21 Ų2124.3 Ų24.311%0.10812%0.117CC..Hα-helixtrans-63.5-48.7177.8-71162.8000110.7S295 I296 C297 H302 G303 Y318 L332S295-I299 WeakPolarHBondContact O-CD1 3.35Å; S295-I299 VanDerWaalsContact O-CG1 3.31Å; S295-I299 WeakPolarHBondContact O-CG1 3.48Å; S295-I299 PolarHBondContact O-N 2.81Å; S295-I299 VanDerWaalsContact O-N 3.08Å; I296-I299 PolarHBondContact O-N 3.1Å; I296-I299 VanDerWaalsContact O-N 3.11Å; C297-I299 VanDerWaalsContact C-N 3.32Å; C297-I299 PolarHBondContact O-N 3.45Å; I299-H302 PolarHBondContact O-N 2.67Å; I299-G303 PolarHBondContact O-N 2.91Å; I299-Y318 WeakPolarHBondContact CA-OH 3.37Å; I299-Y318 HydrophobicContact CG2-CE1 3.92Å; I299-Y318 WeakPolarHBondContact O-CE1 3.02Å; I299-Y318 PolarHBondContact O-OH 2.91Å; I299-L332 HydrophobicContact CD1-CD1 4.02Å; I299-L332 HydrophobicContact CD1-CD2 3.61Å; I299-L332 HydrophobicContact CD1-CG 4.48Å
300L90.7Very high88.4Confident1 Ų120.1 Ų20.11%0.00510%0.099CC..Hα-helixtrans-69.6-40.3-177.2-64.5176.7000112.2L239 V242 L243 Y246 I296 C297 H302 G303 Y304L239-L300 HydrophobicContact CD1-CB 4.49Å; L239-L300 HydrophobicContact CD1-CD2 3.7Å; V242-L300 HydrophobicContact CB-CD1 4.36Å; V242-L300 HydrophobicContact CG1-CD1 3.63Å; V242-L300 HydrophobicContact CG1-CD2 4.31Å; L243-L300 HydrophobicContact CB-CD1 4.39Å; L243-L300 HydrophobicContact CD1-CB 3.57Å; L243-L300 HydrophobicContact CD1-CD1 3.97Å; L243-L300 HydrophobicContact CD1-CG 4.41Å; Y246-L300 HydrophobicContact CD2-CD1 4.24Å; Y246-L300 HydrophobicContact CE2-CD1 4.39Å; I296-L300 HydrophobicContact CG2-CD1 3.55Å; I296-L300 HydrophobicContact CG2-CG 3.99Å; I296-L300 WeakPolarHBondContact O-CG 3.43Å; I296-L300 PolarHBondContact O-N 3.19Å; C297-L300 PolarHBondContact O-N 3.1Å; L300-H302 VanDerWaalsContact C-N 3.26Å; L300-H302 PolarHBondContact O-N 3.37Å; L300-G303 PolarHBondContact O-N 3.03Å; L300-Y304 PolarHBondContact O-N 3.44Å
301Y89.5Confident87.9Confident6 Ų620 Ų202%0.02410%0.098CC..Hα-helixtrans-63.5-32171.9-86.4-69.5000112.4L243 L247 V261 Y264 I269 C297 Y304 E305L243-Y301 HydrophobicContact CD1-CD2 3.83Å; L243-Y301 HydrophobicContact CD1-CE2 3.75Å; L243-Y301 HydrophobicContact CD1-CG 4.5Å; L243-Y301 HydrophobicContact CD2-CD1 4.06Å; L243-Y301 HydrophobicContact CD2-CD2 3.97Å; L243-Y301 HydrophobicContact CD2-CE1 3.57Å; L243-Y301 HydrophobicContact CD2-CE2 3.45Å; L243-Y301 VanDerWaalsContact CD2-CE2 3.45Å; L243-Y301 HydrophobicContact CD2-CG 4.22Å; L243-Y301 WeakPolarHBondContact CD2-OH 3.29Å; L243-Y301 HydrophobicContact CG-CD2 4.48Å; L243-Y301 HydrophobicContact CG-CE2 3.99Å; L247-Y301 WeakPolarHBondContact CD1-OH 3.47Å; L247-Y301 HydrophobicContact CD2-CE2 4.25Å; V261-Y301 HydrophobicContact CG1-CE1 3.96Å; V261-Y301 PolarHBondContact O-OH 3.48Å; V261-Y301 VanDerWaalsContact O-OH 3.07Å; Y264-Y301 WeakPolarHBondContact CB-OH 3.26Å; Y264-Y301 WeakPolarHBondContact O-CE1 3.33Å; I269-Y301 HydrophobicContact CD1-CE2 3.94Å; I269-Y301 HydrophobicContact CG1-CD2 3.69Å; I269-Y301 HydrophobicContact CG1-CE2 3.48Å; I269-Y301 VanDerWaalsContact CG1-CE2 3.48Å; C297-Y301 HydrophobicContact CB-CD2 4.37Å; C297-Y301 WeakPolarHBondContact O-CB 3.35Å; C297-Y301 WeakPolarHBondContact O-CD2 3.35Å; C297-Y301 PolarHBondContact O-N 3.37Å; Y301-Y304 WeakPolarHBondContact O-CB 3.47Å; Y301-E305 WeakPolarHBondContact O-CG 3.39Å; Y301-E305 PolarHBondContact O-N 3.32Å
302H89.5Confident87.5Confident44 Ų4418.6 Ų18.620%0.2049%0.092CC..Hα-helixtrans-71.7-42.2172.7-170.742.3000111.7K266 V298 I299 L300 Y304 E305 L306 Y318K266-H302 HydrophobicContact CD-CB 4.01Å; K266-H302 PolarHBondContact NZ-ND1 3.3Å; V298-H302 WeakPolarHBondContact O-CB 3.25Å; V298-H302 PolarHBondContact O-N 2.86Å; I299-H302 PolarHBondContact O-N 2.67Å; L300-H302 VanDerWaalsContact C-N 3.26Å; L300-H302 PolarHBondContact O-N 3.37Å; H302-Y304 PolarHBondContact O-N 3.08Å; H302-E305 IonicContact CE1-OE2 2.76Å; H302-E305 IonicContact ND1-OE2 2.79Å; H302-E305 PolarHBondContact ND1-OE2 3.31Å; H302-E305 WeakPolarHBondContact O-CB 3.2Å; H302-E305 PolarHBondContact O-N 3.02Å; H302-E305 VanDerWaalsContact O-N 3.12Å; H302-L306 WeakPolarHBondContact O-CG 3.42Å; H302-L306 PolarHBondContact O-N 3.47Å; H302-L306 VanDerWaalsContact O-N 3.07Å; H302-Y318 AromaticContact CD2-CE2 3.55Å; H302-Y318 AromaticContact CD2-CZ 3.62Å
303G88.3Confident87.2Confident0 Ų017.5 Ų17.50%09%0.086CC..Hα-helixtrans-55.2-41.117200000112.3I299 L300 E305 L306 I307I299-G303 PolarHBondContact O-N 2.91Å; L300-G303 PolarHBondContact O-N 3.03Å; G303-E305 PolarHBondContact O-N 3.2Å; G303-L306 WeakPolarHBondContact O-CB 3.44Å; G303-L306 PolarHBondContact O-N 3.04Å; G303-L306 VanDerWaalsContact O-N 3.15Å; G303-I307 WeakPolarHBondContact O-CG1 3.29Å; G303-I307 PolarHBondContact O-N 3.2Å; G303-I307 VanDerWaalsContact O-N 3.07Å
304Y82.4Confident86.9Confident31 Ų3116.6 Ų16.612%0.1228%0.083CC..Hα-helixtrans-56.1-48.2172.8165.2-93.6000113.7Y236 F240 L300 Y301 H302 L306 I307 T308 K535Y236-Y304 AromaticContact CD2-CD2 3.93Å; Y236-Y304 HydrophobicContact CD2-CD2 3.93Å; Y236-Y304 AromaticContact CD2-CE2 3.55Å; Y236-Y304 HydrophobicContact CD2-CE2 3.55Å; Y236-Y304 HydrophobicContact CE1-CE2 4.29Å; Y236-Y304 AromaticContact CE2-CD2 3.8Å; Y236-Y304 HydrophobicContact CE2-CD2 3.8Å; Y236-Y304 AromaticContact CE2-CE2 2.95Å; Y236-Y304 HydrophobicContact CE2-CE2 2.95Å; Y236-Y304 AromaticContact CE2-CZ 3.64Å; Y236-Y304 HydrophobicContact CG-CE2 4.44Å; Y236-Y304 AromaticContact CZ-CE2 3.34Å; Y236-Y304 WeakPolarHBondContact OH-CE2 3.44Å; Y236-Y304 PolarHBondContact OH-OH 3.04Å; F240-Y304 HydrophobicContact CD2-CD2 4.39Å; F240-Y304 HydrophobicContact CD2-CE2 4.49Å; F240-Y304 AromaticContact CE2-CD2 3.48Å; F240-Y304 HydrophobicContact CE2-CD2 3.48Å; F240-Y304 VanDerWaalsContact CE2-CD2 3.48Å; F240-Y304 AromaticContact CE2-CE2 3.32Å; F240-Y304 HydrophobicContact CE2-CE2 3.32Å; F240-Y304 HydrophobicContact CZ-CD2 4.28Å; F240-Y304 AromaticContact CZ-CE2 3.68Å; F240-Y304 HydrophobicContact CZ-CE2 3.68Å; L300-Y304 PolarHBondContact O-N 3.44Å; Y301-Y304 WeakPolarHBondContact O-CB 3.47Å; H302-Y304 PolarHBondContact O-N 3.08Å; Y304-L306 PolarHBondContact O-N 3.09Å; Y304-I307 PolarHBondContact O-N 3.02Å; Y304-T308 PolarHBondContact O-N 3.3Å; Y304-T308 PolarHBondContact O-OG1 2.99Å; Y304-K535 PolarHBondContact OH-NZ 3.2Å; Y304-K535 VanDerWaalsContact OH-NZ 3.09Å
305E81.7Confident86.5Confident62 Ų6216.6 Ų16.629%0.298%0.083SC..Hα-helixtrans-59.8-38.9176.5-68.4166.1169.900110.5K266 Y301 H302 G303 T308 M309K266-E305 IonicContact NZ-OE1 3.64Å; K266-E305 IonicContact NZ-OE2 3.19Å; K266-E305 PolarHBondContact NZ-OE2 3.34Å; Y301-E305 WeakPolarHBondContact O-CG 3.39Å; Y301-E305 PolarHBondContact O-N 3.32Å; H302-E305 IonicContact CE1-OE2 2.76Å; H302-E305 IonicContact ND1-OE2 2.79Å; H302-E305 PolarHBondContact ND1-OE2 3.31Å; H302-E305 WeakPolarHBondContact O-CB 3.2Å; H302-E305 PolarHBondContact O-N 3.02Å; H302-E305 VanDerWaalsContact O-N 3.12Å; G303-E305 PolarHBondContact O-N 3.2Å; E305-T308 PolarHBondContact O-N 3.1Å; E305-M309 WeakPolarHBondContact O-CB 3.45Å; E305-M309 VanDerWaalsContact O-CG 3.26Å; E305-M309 WeakPolarHBondContact O-CG 3.21Å; E305-M309 PolarHBondContact O-N 3.23Å
306L84.5Confident86.3Confident2 Ų216.7 Ų16.71%0.018%0.08CC..Hα-helixtrans-64.8-40.3178.5-64.6178000112.6H302 G303 Y304 T308 H310 G311 Y318 Y426H302-L306 WeakPolarHBondContact O-CG 3.42Å; H302-L306 PolarHBondContact O-N 3.47Å; H302-L306 VanDerWaalsContact O-N 3.07Å; G303-L306 WeakPolarHBondContact O-CB 3.44Å; G303-L306 PolarHBondContact O-N 3.04Å; G303-L306 VanDerWaalsContact O-N 3.15Å; Y304-L306 PolarHBondContact O-N 3.09Å; L306-T308 VanDerWaalsContact C-N 3.34Å; L306-T308 PolarHBondContact O-N 2.98Å; L306-H310 CarbonylContact O-C 3.59Å; L306-H310 VanDerWaalsContact O-CA 3.28Å; L306-H310 WeakPolarHBondContact O-CA 3.36Å; L306-H310 WeakPolarHBondContact O-CB 3.47Å; L306-H310 PolarHBondContact O-N 3.12Å; L306-G311 PolarHBondContact O-N 2.87Å; L306-Y318 HydrophobicContact CD1-CD1 3.98Å; L306-Y318 HydrophobicContact CD1-CD2 4.18Å; L306-Y318 HydrophobicContact CD1-CG 3.63Å; L306-Y426 HydrophobicContact CD1-CE1 4.46Å; L306-Y426 HydrophobicContact CD2-CD1 4.13Å; L306-Y426 HydrophobicContact CD2-CD2 3.88Å; L306-Y426 HydrophobicContact CD2-CE1 3.9Å; L306-Y426 HydrophobicContact CD2-CE2 3.63Å; L306-Y426 HydrophobicContact CD2-CG 4.15Å
307I81Confident86.1Confident4 Ų419 Ų192%0.0219%0.092CC..Hα-helixtrans-58.5-49.9176.9-61.5172.2000110.2F232 L239 G303 Y304 M309 G311 L312 L315 H394F232-I307 HydrophobicContact CB-CG2 4.07Å; L239-I307 HydrophobicContact CD2-CD1 3.94Å; G303-I307 WeakPolarHBondContact O-CG1 3.29Å; G303-I307 PolarHBondContact O-N 3.2Å; G303-I307 VanDerWaalsContact O-N 3.07Å; Y304-I307 PolarHBondContact O-N 3.02Å; I307-M309 PolarHBondContact O-N 2.8Å; I307-G311 PolarHBondContact O-N 2.86Å; I307-L312 HydrophobicContact CG1-CD2 4.31Å; I307-L312 HydrophobicContact CG2-CD2 4.2Å; I307-L315 HydrophobicContact CD1-CD2 3.67Å; I307-L315 HydrophobicContact CG1-CB 4.14Å; I307-L315 HydrophobicContact CG1-CD1 4.4Å; I307-L315 HydrophobicContact CG1-CD2 3.61Å; I307-L315 HydrophobicContact CG1-CG 4.26Å; I307-H394 PolarHBondContact O-CD2 3.16Å
308T76.7Confident86Confident29 Ų2919.8 Ų19.818%0.17810%0.095CC..Hα-helixtrans-68.8-35.1-173-50.30000112.3Y304 E305 L306 H394Y304-T308 PolarHBondContact O-N 3.3Å; Y304-T308 PolarHBondContact O-OG1 2.99Å; E305-T308 PolarHBondContact O-N 3.1Å; L306-T308 VanDerWaalsContact C-N 3.34Å; L306-T308 PolarHBondContact O-N 2.98Å; T308-H394 PolarHBondContact O-NE2 3.35Å
309M79.2Confident85.9Confident44 Ų4418.5 Ų18.522%0.2179%0.088CC..Hα-helixtrans-100.6-35.5-171.8-61.3-64.5-67.600113.3E305 I307 K396 Y503 D504 E536E305-M309 WeakPolarHBondContact O-CB 3.45Å; E305-M309 VanDerWaalsContact O-CG 3.26Å; E305-M309 WeakPolarHBondContact O-CG 3.21Å; E305-M309 PolarHBondContact O-N 3.23Å; I307-M309 PolarHBondContact O-N 2.8Å; M309-K396 PolarHBondContact O-NZ 2.87Å; M309-Y503 WeakPolarHBondContact O-CE1 3.31Å; M309-D504 HydrophobicContact CE-CB 4.12Å; M309-E536 VanDerWaalsContact CE-CD 3.49Å; M309-E536 HydrophobicContact CE-CG 3.91Å; M309-E536 WeakPolarHBondContact CE-OE1 3.45Å; M309-E536 HydrophobicContact SD-CB 4.1Å; M309-E536 HydrophobicContact SD-CG 3.7Å
310H82.4Confident85.8Confident11 Ų1119.3 Ų19.35%0.0519%0.094CC..Hα-helixtrans-128.3-10.6-164.1-63-65.6000114.4L306 S314 Y426 S429 D504L306-H310 CarbonylContact O-C 3.59Å; L306-H310 VanDerWaalsContact O-CA 3.28Å; L306-H310 WeakPolarHBondContact O-CA 3.36Å; L306-H310 WeakPolarHBondContact O-CB 3.47Å; L306-H310 PolarHBondContact O-N 3.12Å; H310-S314 PolarHBondContact O-OG 2.92Å; H310-Y426 HydrophobicContact CB-CD1 4.44Å; H310-Y426 WeakPolarHBondContact CE1-CB 3.35Å; H310-Y426 WeakPolarHBondContact ND1-CB 3.16Å; H310-S429 WeakPolarHBondContact CB-OG 3.38Å; H310-S429 PolarHBondContact ND1-OG 2.93Å; H310-D504 IonicContact CE1-OD2 2.7Å; H310-D504 PolarHBondContact CE1-OD2 3.2Å
311G83.1Confident85.8Confident0 Ų024.9 Ų24.90%012%0.119CC..  trans88.9176.7176.500000115.9L306 I307 K313 S314 L315 S393L306-G311 PolarHBondContact O-N 2.87Å; I307-G311 PolarHBondContact O-N 2.86Å; G311-K313 PolarHBondContact O-N 3.36Å; G311-S314 PolarHBondContact O-N 3.49Å; G311-L315 PolarHBondContact O-N 3.28Å; G311-S393 WeakPolarHBondContact CA-O 3.45Å
312L84.3Confident85.7Confident0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-69.9-30.9-172.4-66.4-175.5000114.1F232 I307 S314 L315 Y316 Y348 L349 M352 F353 S393F232-L312 HydrophobicContact CD1-CD1 3.45Å; F232-L312 VanDerWaalsContact CD1-CD1 3.45Å; F232-L312 HydrophobicContact CD1-CD2 3.78Å; F232-L312 HydrophobicContact CD1-CG 3.32Å; F232-L312 HydrophobicContact CE1-CB 4.35Å; F232-L312 HydrophobicContact CE1-CD1 3.36Å; F232-L312 HydrophobicContact CE1-CD2 4.31Å; F232-L312 HydrophobicContact CE1-CG 3.35Å; F232-L312 HydrophobicContact CG-CG 4.45Å; F232-L312 HydrophobicContact CZ-CG 4.5Å; I307-L312 HydrophobicContact CG1-CD2 4.31Å; I307-L312 HydrophobicContact CG2-CD2 4.2Å; L312-S314 VanDerWaalsContact C-N 3.3Å; L312-S314 PolarHBondContact O-N 2.92Å; L312-L315 HydrophobicContact CD2-CD2 4.38Å; L312-L315 WeakPolarHBondContact O-CB 3.49Å; L312-L315 PolarHBondContact O-N 2.94Å; L312-Y316 WeakPolarHBondContact O-CB 3.37Å; L312-Y316 PolarHBondContact O-N 2.98Å; L312-Y348 HydrophobicContact CD1-CE1 4.25Å; L312-L349 HydrophobicContact CB-CD2 3.95Å; L312-L349 HydrophobicContact CD1-CD2 4.16Å; L312-L349 HydrophobicContact CD2-CD2 4.17Å; L312-L349 HydrophobicContact CG-CD2 4.33Å; L312-M352 HydrophobicContact CD1-CE 4.38Å; L312-M352 HydrophobicContact CD1-SD 4.11Å; L312-F353 HydrophobicContact CB-CE2 3.68Å; L312-F353 HydrophobicContact CB-CZ 3.88Å; L312-S393 PolarHBondContact N-O 3.23Å
313K86.1Confident85.6Confident44 Ų4426.8 Ų26.819%0.19113%0.127CC..Hα-helixtrans-63.8-41178.6-177.867.4-178-178.90111G311 Y316 N317 F353 E432G311-K313 PolarHBondContact O-N 3.36Å; K313-Y316 HydrophobicContact CD-CD1 4.45Å; K313-Y316 PolarHBondContact O-N 3.16Å; K313-N317 WeakPolarHBondContact CE-OD1 3.42Å; K313-N317 VanDerWaalsContact O-CG 3.27Å; K313-N317 PolarHBondContact O-N 2.79Å; K313-F353 HydrophobicContact CB-CD1 4.3Å; K313-F353 HydrophobicContact CB-CE1 3.84Å; K313-F353 HydrophobicContact CB-CE2 4.39Å; K313-F353 HydrophobicContact CB-CZ 3.9Å; K313-F353 HydrophobicContact CD-CB 3.96Å; K313-F353 HydrophobicContact CD-CD1 3.38Å; K313-F353 HydrophobicContact CD-CD2 4.23Å; K313-F353 HydrophobicContact CD-CE1 3.83Å; K313-F353 HydrophobicContact CD-CG 3.59Å; K313-F353 HydrophobicContact CD-CZ 4.45Å; K313-F353 HydrophobicContact CG-CD1 4.38Å; K313-F353 HydrophobicContact CG-CE1 4.38Å; K313-F353 PolarHBondContact NZ-O 2.83Å; K313-E432 WeakPolarHBondContact CB-OE1 3.5Å; K313-E432 WeakPolarHBondContact CB-OE2 3.49Å
314S88Confident85.5Confident0 Ų030.4 Ų30.40%014%0.141CC..Hα-helixtrans-64-40.8175-66.70000111.6H310 G311 L312 Y318 S429H310-S314 PolarHBondContact O-OG 2.92Å; G311-S314 PolarHBondContact O-N 3.49Å; L312-S314 VanDerWaalsContact C-N 3.3Å; L312-S314 PolarHBondContact O-N 2.92Å; S314-Y318 VanDerWaalsContact O-CB 3.27Å; S314-Y318 WeakPolarHBondContact O-CB 3.46Å; S314-Y318 PolarHBondContact O-N 2.75Å; S314-Y318 VanDerWaalsContact O-N 3.09Å; S314-S429 PolarHBondContact OG-OG 2.79Å
315L87.4Confident85.6Confident0 Ų029.9 Ų29.90%015%0.145CC..Hα-helixtrans-60.7-49.1171.7172.869.8000111.8I307 G311 L312 Y318 L319 L349I307-L315 HydrophobicContact CD1-CD2 3.67Å; I307-L315 HydrophobicContact CG1-CB 4.14Å; I307-L315 HydrophobicContact CG1-CD1 4.4Å; I307-L315 HydrophobicContact CG1-CD2 3.61Å; I307-L315 HydrophobicContact CG1-CG 4.26Å; G311-L315 PolarHBondContact O-N 3.28Å; L312-L315 HydrophobicContact CD2-CD2 4.38Å; L312-L315 WeakPolarHBondContact O-CB 3.49Å; L312-L315 PolarHBondContact O-N 2.94Å; L315-Y318 WeakPolarHBondContact O-CB 3.34Å; L315-Y318 PolarHBondContact O-N 3.05Å; L315-L319 HydrophobicContact CD1-CD1 3.72Å; L315-L319 HydrophobicContact CD1-CD2 4.46Å; L315-L319 HydrophobicContact CD1-CG 3.81Å; L315-L319 HydrophobicContact CD2-CD1 4.37Å; L315-L319 HydrophobicContact CG-CD1 3.9Å; L315-L319 HydrophobicContact CG-CG 4.27Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 2.69Å; L315-L349 HydrophobicContact CD2-CD1 3.7Å; L315-L349 HydrophobicContact CD2-CD2 4.48Å; L315-L349 HydrophobicContact CG-CD1 4.07Å
316Y88.7Confident85.3Confident24 Ų2439.6 Ų39.69%0.09418%0.179CC..Hα-helixtrans-57.2-54.6-178.7168.8-107.2000110.5L312 K313 Y318 L319 T320 Y346 L349 D350 F353L312-Y316 WeakPolarHBondContact O-CB 3.37Å; L312-Y316 PolarHBondContact O-N 2.98Å; K313-Y316 HydrophobicContact CD-CD1 4.45Å; K313-Y316 PolarHBondContact O-N 3.16Å; Y316-Y318 VanDerWaalsContact C-N 3.27Å; Y316-Y318 PolarHBondContact O-N 2.62Å; Y316-L319 PolarHBondContact O-N 3.41Å; Y316-T320 VanDerWaalsContact CE2-OG1 3.31Å; Y316-T320 WeakPolarHBondContact CE2-OG1 3.48Å; Y316-T320 WeakPolarHBondContact O-CB 3.35Å; Y316-T320 PolarHBondContact O-N 3.34Å; Y316-T320 PolarHBondContact O-OG1 3.1Å; Y316-Y346 HydrophobicContact CE2-CE2 4.42Å; Y316-L349 HydrophobicContact CD2-CB 3.73Å; Y316-L349 HydrophobicContact CG-CB 4.31Å; Y316-D350 HydrophobicContact CE2-CB 4.18Å; Y316-D350 PolarHBondContact OH-OD1 2.85Å; Y316-F353 HydrophobicContact CD1-CB 3.65Å; Y316-F353 HydrophobicContact CD1-CD2 4.28Å; Y316-F353 HydrophobicContact CD1-CG 4.3Å; Y316-F353 HydrophobicContact CE1-CB 3.85Å; Y316-F353 HydrophobicContact CG-CB 4.1Å; Y316-F353 HydrophobicContact CG-CD2 4.03Å; Y316-F353 HydrophobicContact CG-CG 4.48Å
317N89.3Confident85Confident48 Ų4845.9 Ų45.926%0.25721%0.209SC..Hα-helixtrans-56.4-43.1178.9-66.5-13.8000111.6K313 E321K313-N317 WeakPolarHBondContact CE-OD1 3.42Å; K313-N317 VanDerWaalsContact O-CG 3.27Å; K313-N317 PolarHBondContact O-N 2.79Å; N317-E321 WeakPolarHBondContact O-CB 3.36Å; N317-E321 PolarHBondContact O-N 3.45Å
318Y90Very high84.8Confident18 Ų1847.4 Ų47.47%0.07122%0.22CC..Hα-helixtrans-62-49.7177.8171.7-104.8000112.8I299 H302 L306 S314 L315 Y316 E321 K322I299-Y318 WeakPolarHBondContact CA-OH 3.37Å; I299-Y318 HydrophobicContact CG2-CE1 3.92Å; I299-Y318 WeakPolarHBondContact O-CE1 3.02Å; I299-Y318 PolarHBondContact O-OH 2.91Å; H302-Y318 AromaticContact CD2-CE2 3.55Å; H302-Y318 AromaticContact CD2-CZ 3.62Å; L306-Y318 HydrophobicContact CD1-CD1 3.98Å; L306-Y318 HydrophobicContact CD1-CD2 4.18Å; L306-Y318 HydrophobicContact CD1-CG 3.63Å; S314-Y318 VanDerWaalsContact O-CB 3.27Å; S314-Y318 WeakPolarHBondContact O-CB 3.46Å; S314-Y318 PolarHBondContact O-N 2.75Å; S314-Y318 VanDerWaalsContact O-N 3.09Å; L315-Y318 WeakPolarHBondContact O-CB 3.34Å; L315-Y318 PolarHBondContact O-N 3.05Å; Y316-Y318 VanDerWaalsContact C-N 3.27Å; Y316-Y318 PolarHBondContact O-N 2.62Å; Y318-E321 PolarHBondContact O-N 3.44Å; Y318-K322 HydrophobicContact CD2-CG 4.06Å; Y318-K322 HydrophobicContact CE1-CG 4.4Å; Y318-K322 HydrophobicContact CE2-CD 4.33Å; Y318-K322 HydrophobicContact CE2-CG 3.6Å; Y318-K322 WeakPolarHBondContact O-CB 3.22Å; Y318-K322 WeakPolarHBondContact O-CG 3.47Å; Y318-K322 PolarHBondContact O-N 2.88Å
319L89.2Confident85Confident0 Ų050.1 Ų50.10%023%0.234CC..Hα-helixtrans-66.6-41.6179.3-70.4-179.4000111.3L315 Y316 E321 K322 V323 F342 Y346 L349L315-L319 HydrophobicContact CD1-CD1 3.72Å; L315-L319 HydrophobicContact CD1-CD2 4.46Å; L315-L319 HydrophobicContact CD1-CG 3.81Å; L315-L319 HydrophobicContact CD2-CD1 4.37Å; L315-L319 HydrophobicContact CG-CD1 3.9Å; L315-L319 HydrophobicContact CG-CG 4.27Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 2.69Å; Y316-L319 PolarHBondContact O-N 3.41Å; L319-E321 PolarHBondContact O-N 3.46Å; L319-K322 PolarHBondContact O-N 2.93Å; L319-V323 VanDerWaalsContact O-CB 3.23Å; L319-V323 WeakPolarHBondContact O-CB 3.42Å; L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 2.77Å; L319-F342 HydrophobicContact CD1-CE2 4.21Å; L319-F342 HydrophobicContact CD2-CE2 4.36Å; L319-Y346 HydrophobicContact CB-CD2 4.43Å; L319-Y346 HydrophobicContact CB-CE2 4.43Å; L319-L349 HydrophobicContact CD1-CD1 4.23Å
320T90.6Very high85.2Confident38 Ų3852.4 Ų52.423%0.23325%0.254CS..Iπ-helixtrans-59.1-46.7175.3-58.90000110.8Y316 Y324 G325 Y346Y316-T320 VanDerWaalsContact CE2-OG1 3.31Å; Y316-T320 WeakPolarHBondContact CE2-OG1 3.48Å; Y316-T320 WeakPolarHBondContact O-CB 3.35Å; Y316-T320 PolarHBondContact O-N 3.34Å; Y316-T320 PolarHBondContact O-OG1 3.1Å; T320-Y324 CarbonylContact O-C 3.52Å; T320-Y324 VanDerWaalsContact O-C 3.29Å; T320-Y324 VanDerWaalsContact O-CA 3.3Å; T320-Y324 WeakPolarHBondContact O-CA 3.01Å; T320-Y324 WeakPolarHBondContact O-CB 3.16Å; T320-Y324 PolarHBondContact O-N 2.87Å; T320-G325 PolarHBondContact O-N 3.02Å; T320-Y346 PolarHBondContact OG1-OH 3.13Å
321E89Confident85.4Confident117 Ų11755 Ų5555%0.54726%0.263SS..Iπ-helixtrans-64.3-44.8177.1-172.1-175.9175.700112N317 Y318 L319 G325N317-E321 WeakPolarHBondContact O-CB 3.36Å; N317-E321 PolarHBondContact O-N 3.45Å; Y318-E321 PolarHBondContact O-N 3.44Å; L319-E321 PolarHBondContact O-N 3.46Å; E321-G325 WeakPolarHBondContact O-CA 3.3Å; E321-G325 PolarHBondContact O-N 2.98Å; E321-G325 VanDerWaalsContact O-N 3.09Å
322K88Confident85.7Confident91 Ų9155.1 Ų55.140%0.39626%0.264SS..Iπ-helixtrans-74.3-36.8-175.8-72.1-62.1-178.4-169.50114.3Y318 L319 S328 L332Y318-K322 HydrophobicContact CD2-CG 4.06Å; Y318-K322 HydrophobicContact CE1-CG 4.4Å; Y318-K322 HydrophobicContact CE2-CD 4.33Å; Y318-K322 HydrophobicContact CE2-CG 3.6Å; Y318-K322 WeakPolarHBondContact O-CB 3.22Å; Y318-K322 WeakPolarHBondContact O-CG 3.47Å; Y318-K322 PolarHBondContact O-N 2.88Å; L319-K322 PolarHBondContact O-N 2.93Å; K322-S328 WeakPolarHBondContact O-CB 3.37Å; K322-L332 WeakPolarHBondContact O-CD2 2.96Å
323V87.3Confident85.8Confident0 Ų057 Ų570%027%0.272CS..Iπ-helixtrans-100.4-28.8-172-175.90000112.1L319 L332 H333 L336 F342L319-V323 VanDerWaalsContact O-CB 3.23Å; L319-V323 WeakPolarHBondContact O-CB 3.42Å; L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 2.77Å; V323-L332 HydrophobicContact CG2-CD2 4.22Å; V323-L332 HydrophobicContact CG2-CG 4.48Å; V323-H333 HydrophobicContact CG1-CB 4.3Å; V323-H333 WeakPolarHBondContact O-CB 3.15Å; V323-H333 PolarHBondContact O-ND1 3.38Å; V323-H333 VanDerWaalsContact O-ND1 3.16Å; V323-L336 HydrophobicContact CG1-CD1 4.3Å; V323-L336 HydrophobicContact CG2-CD1 3.7Å; V323-F342 HydrophobicContact CG1-CE1 4.26Å; V323-F342 HydrophobicContact CG1-CZ 4.26Å; V323-F342 HydrophobicContact CG2-CZ 4.06Å
324Y86.6Confident85.9Confident75 Ų7557.8 Ų57.829%0.29428%0.283SS..Iπ-helixtrans-126-2.7-175.9-56.3-92.9000113.3T320 H333 Y346T320-Y324 CarbonylContact O-C 3.52Å; T320-Y324 VanDerWaalsContact O-C 3.29Å; T320-Y324 VanDerWaalsContact O-CA 3.3Å; T320-Y324 WeakPolarHBondContact O-CA 3.01Å; T320-Y324 WeakPolarHBondContact O-CB 3.16Å; T320-Y324 PolarHBondContact O-N 2.87Å; Y324-H333 AromaticContact CD1-CE1 3.46Å; Y324-H333 VanDerWaalsContact CD1-CE1 3.46Å; Y324-H333 WeakPolarHBondContact CD1-CE1 3.47Å; Y324-H333 AromaticContact CD1-ND1 3.66Å; Y324-H333 AromaticContact CE1-CE1 3.29Å; Y324-H333 WeakPolarHBondContact CE1-CE1 3.34Å; Y324-H333 AromaticContact CE1-ND1 3.57Å; Y324-Y346 HydrophobicContact CD2-CE1 4.19Å; Y324-Y346 AromaticContact CD2-CE2 3.75Å; Y324-Y346 HydrophobicContact CD2-CE2 3.75Å; Y324-Y346 AromaticContact CD2-CZ 3.55Å; Y324-Y346 AromaticContact CE2-CD1 3.94Å; Y324-Y346 HydrophobicContact CE2-CD1 3.94Å; Y324-Y346 AromaticContact CE2-CD2 3.78Å; Y324-Y346 HydrophobicContact CE2-CD2 3.78Å; Y324-Y346 AromaticContact CE2-CE1 3.59Å; Y324-Y346 HydrophobicContact CE2-CE1 3.59Å; Y324-Y346 AromaticContact CE2-CE2 3.4Å; Y324-Y346 HydrophobicContact CE2-CE2 3.4Å; Y324-Y346 VanDerWaalsContact CE2-CE2 3.4Å; Y324-Y346 HydrophobicContact CE2-CG 4.03Å; Y324-Y346 AromaticContact CE2-CZ 3.31Å; Y324-Y346 AromaticContact CZ-CD1 3.99Å; Y324-Y346 AromaticContact CZ-CE1 3.8Å
325G84Confident85.9Confident20 Ų2060.3 Ų60.321%0.20630%0.295CS..SBendtrans-67.6162.1179.100000112.6T320 E321 E327 S328T320-G325 PolarHBondContact O-N 3.02Å; E321-G325 WeakPolarHBondContact O-CA 3.3Å; E321-G325 PolarHBondContact O-N 2.98Å; E321-G325 VanDerWaalsContact O-N 3.09Å; G325-E327 PolarHBondContact O-N 2.83Å; G325-E327 VanDerWaalsContact O-N 3.12Å; G325-S328 WeakPolarHBondContact O-CB 3.3Å; G325-S328 PolarHBondContact O-N 2.73Å; G325-S328 PolarHBondContact O-OG 3.47Å
326R76.9Confident86Confident266 Ų26660.3 Ų60.3100%1.00430%0.295SS*.THydrogen-bonded Turntrans-59.5-26.4-178.5-65.8-176.2-177.8-174.9-0.7113.9
327E76.7Confident86Confident134 Ų13464.1 Ų64.163%0.62631%0.312SS*.THydrogen-bonded Turntrans-106.615.4178.4-60.8178.6-178.200112.1G325 R456G325-E327 PolarHBondContact O-N 2.83Å; G325-E327 VanDerWaalsContact O-N 3.12Å; E327-R456 IonicContact OE1-CZ 3.11Å; E327-R456 VanDerWaalsContact OE1-CZ 3.31Å; E327-R456 IonicContact OE1-NE 3.23Å; E327-R456 IonicContact OE1-NH2 3.76Å; E327-R456 PolarHBondContact OE1-NH2 3.25Å; E327-R456 IonicContact OE2-CZ 2.7Å; E327-R456 IonicContact OE2-NH1 3.89Å; E327-R456 PolarHBondContact OE2-NH1 3.15Å; E327-R456 IonicContact OE2-NH2 3.9Å; E327-R456 PolarHBondContact OE2-NH2 2.94Å
328S77.4Confident86Confident37 Ų3768.2 Ų68.226%0.25933%0.334SS..  trans-66.3144.8175.862.70000110.4K322 G325 S330K322-S328 WeakPolarHBondContact O-CB 3.37Å; G325-S328 WeakPolarHBondContact O-CB 3.3Å; G325-S328 PolarHBondContact O-N 2.73Å; G325-S328 PolarHBondContact O-OG 3.47Å; S328-S330 PolarHBondContact O-N 3.06Å
329N80.9Confident86Confident86 Ų8668.1 Ų68.146%0.4633%0.334SS..  trans-71.9117.3173.5-71.8-40.4000109W331 L332 H333N329-W331 HydrophobicContact CB-CD2 4.41Å; N329-W331 HydrophobicContact CB-CG 4.28Å; N329-W331 HydrophobicContact CB-CZ2 4.44Å; N329-W331 PolarHBondContact O-N 2.83Å; N329-W331 VanDerWaalsContact O-N 3.08Å; N329-L332 HydrophobicContact CB-CB 4.05Å; N329-L332 WeakPolarHBondContact O-CB 3.2Å; N329-L332 PolarHBondContact O-N 3.45Å; N329-H333 PolarHBondContact O-N 3.16Å
330S83.5Confident86Confident92 Ų9272.4 Ų72.464%0.64336%0.362SS*.Hα-helixtrans-52.1-35.2179.4179.30000113.1S328 S334S328-S330 PolarHBondContact O-N 3.06Å; S330-S334 WeakPolarHBondContact O-CB 3.44Å; S330-S334 PolarHBondContact O-N 3.26Å; S330-S334 PolarHBondContact O-OG 3.26Å
331W86.9Confident85.8Confident65 Ų6573.7 Ų73.725%0.24637%0.365CS..Hα-helixtrans-66.6-36.5176.770.4-103.5000113.2H292 I296 N329 S334 E335H292-W331 HydrophobicContact CB-CE3 3.95Å; H292-W331 HydrophobicContact CB-CH2 3.94Å; H292-W331 HydrophobicContact CB-CZ3 3.57Å; H292-W331 AromaticContact CD2-CD2 3.79Å; H292-W331 AromaticContact CD2-CE2 3.57Å; H292-W331 AromaticContact CD2-CH2 3.92Å; H292-W331 AromaticContact CD2-CZ2 3.66Å; H292-W331 AromaticContact CE1-CD2 3.88Å; H292-W331 AromaticContact CE1-CG 3.91Å; H292-W331 AromaticContact CG-CD2 3.91Å; H292-W331 AromaticContact CG-CE3 3.69Å; H292-W331 AromaticContact CG-CZ3 3.75Å; H292-W331 AromaticContact ND1-CD2 3.96Å; H292-W331 AromaticContact ND1-CE3 3.86Å; H292-W331 AromaticContact NE2-CD1 3.88Å; H292-W331 AromaticContact NE2-CD2 3.77Å; H292-W331 AromaticContact NE2-CE2 3.67Å; H292-W331 AromaticContact NE2-CG 3.98Å; H292-W331 AromaticContact NE2-NE1 3.67Å; I296-W331 HydrophobicContact CD1-CZ3 3.85Å; I296-W331 HydrophobicContact CG1-CH2 4.11Å; I296-W331 HydrophobicContact CG1-CZ3 3.76Å; N329-W331 HydrophobicContact CB-CD2 4.41Å; N329-W331 HydrophobicContact CB-CG 4.28Å; N329-W331 HydrophobicContact CB-CZ2 4.44Å; N329-W331 PolarHBondContact O-N 2.83Å; N329-W331 VanDerWaalsContact O-N 3.08Å; W331-S334 PolarHBondContact O-N 3.02Å; W331-E335 WeakPolarHBondContact O-CB 3.39Å; W331-E335 PolarHBondContact O-N 3.03Å
332L89Confident85.8Confident2 Ų268.1 Ų68.11%0.0134%0.339CS..Hα-helixtrans-65.5-46.2-178.2173.666.1000110I296 I299 K322 V323 N329 E335 L336I296-L332 HydrophobicContact CD1-CD1 4.41Å; I296-L332 HydrophobicContact CG1-CD1 3.59Å; I299-L332 HydrophobicContact CD1-CD1 4.02Å; I299-L332 HydrophobicContact CD1-CD2 3.61Å; I299-L332 HydrophobicContact CD1-CG 4.48Å; K322-L332 WeakPolarHBondContact O-CD2 2.96Å; V323-L332 HydrophobicContact CG2-CD2 4.22Å; V323-L332 HydrophobicContact CG2-CG 4.48Å; N329-L332 HydrophobicContact CB-CB 4.05Å; N329-L332 WeakPolarHBondContact O-CB 3.2Å; N329-L332 PolarHBondContact O-N 3.45Å; L332-E335 PolarHBondContact O-N 2.76Å; L332-L336 HydrophobicContact CD1-CD1 3.7Å; L332-L336 HydrophobicContact CD1-CG 4.1Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 2.97Å
333H86.9Confident85.9Confident39 Ų3967.1 Ų67.118%0.18134%0.337CS..Hα-helixtrans-59.6-47.6174.7178.582.2000112V323 Y324 N329 E335 K337V323-H333 HydrophobicContact CG1-CB 4.3Å; V323-H333 WeakPolarHBondContact O-CB 3.15Å; V323-H333 PolarHBondContact O-ND1 3.38Å; V323-H333 VanDerWaalsContact O-ND1 3.16Å; Y324-H333 AromaticContact CD1-CE1 3.46Å; Y324-H333 VanDerWaalsContact CD1-CE1 3.46Å; Y324-H333 WeakPolarHBondContact CD1-CE1 3.47Å; Y324-H333 AromaticContact CD1-ND1 3.66Å; Y324-H333 AromaticContact CE1-CE1 3.29Å; Y324-H333 WeakPolarHBondContact CE1-CE1 3.34Å; Y324-H333 AromaticContact CE1-ND1 3.57Å; N329-H333 PolarHBondContact O-N 3.16Å; H333-E335 VanDerWaalsContact C-N 3.33Å; H333-E335 PolarHBondContact O-N 2.75Å; H333-K337 WeakPolarHBondContact CE1-CE 3.31Å; H333-K337 PolarHBondContact CE1-NZ 3.07Å; H333-K337 VanDerWaalsContact CE1-NZ 3.33Å; H333-K337 WeakPolarHBondContact NE2-CD 3.24Å; H333-K337 WeakPolarHBondContact NE2-CE 3.32Å; H333-K337 PolarHBondContact NE2-NZ 3.38Å; H333-K337 VanDerWaalsContact O-CB 3.29Å; H333-K337 WeakPolarHBondContact O-CB 3.31Å; H333-K337 VanDerWaalsContact O-CG 3.28Å; H333-K337 WeakPolarHBondContact O-CG 2.98Å; H333-K337 PolarHBondContact O-N 3.45Å
334S87.2Confident85.9Confident61 Ų6173.3 Ų73.343%0.42737%0.366SS..Hα-helixtrans-62.4-40.5179.4-58.20000111.8S330 W331 L338S330-S334 WeakPolarHBondContact O-CB 3.44Å; S330-S334 PolarHBondContact O-N 3.26Å; S330-S334 PolarHBondContact O-OG 3.26Å; W331-S334 PolarHBondContact O-N 3.02Å; S334-L338 WeakPolarHBondContact O-CG 3.43Å
335E89.6Confident86Confident53 Ų5369.7 Ų69.725%0.24835%0.352CS..Hα-helixtrans-71.7-45.8179.8-171.182.3-174.400112.1Y246 R249 I296 W331 L332 H333 L338Y246-E335 HydrophobicContact CE1-CG 4.02Å; Y246-E335 WeakPolarHBondContact OH-CG 3.44Å; R249-E335 IonicContact CZ-OE1 3.78Å; R249-E335 IonicContact NH1-OE1 2.71Å; R249-E335 PolarHBondContact NH1-OE1 3.24Å; R249-E335 IonicContact NH2-OE1 3.97Å; I296-E335 HydrophobicContact CD1-CB 4.31Å; I296-E335 HydrophobicContact CD1-CG 3.75Å; W331-E335 WeakPolarHBondContact O-CB 3.39Å; W331-E335 PolarHBondContact O-N 3.03Å; L332-E335 PolarHBondContact O-N 2.76Å; H333-E335 VanDerWaalsContact C-N 3.33Å; H333-E335 PolarHBondContact O-N 2.75Å; E335-L338 WeakPolarHBondContact O-CB 3.19Å; E335-L338 PolarHBondContact O-N 3.23Å
336L89Confident86.1Confident0 Ų069.9 Ų69.90%035%0.346CS..Hα-helixtrans-70.8-30.9-177.8-73.2176.2000112.8V242 Y246 I296 V323 L332 L338 L339 F342V242-L336 HydrophobicContact CG1-CD2 4.22Å; Y246-L336 HydrophobicContact CE2-CD2 4.21Å; I296-L336 HydrophobicContact CG2-CD2 4.1Å; V323-L336 HydrophobicContact CG1-CD1 4.3Å; V323-L336 HydrophobicContact CG2-CD1 3.7Å; L332-L336 HydrophobicContact CD1-CD1 3.7Å; L332-L336 HydrophobicContact CD1-CG 4.1Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 2.97Å; L336-L338 PolarHBondContact O-N 3.3Å; L336-L339 PolarHBondContact O-N 3.49Å; L336-L339 VanDerWaalsContact O-N 3.07Å; L336-F342 HydrophobicContact CB-CD1 3.72Å; L336-F342 HydrophobicContact CB-CE1 3.88Å; L336-F342 HydrophobicContact CB-CG 4.07Å; L336-F342 HydrophobicContact CB-CZ 4.38Å; L336-F342 HydrophobicContact CD1-CD2 4.37Å; L336-F342 HydrophobicContact CD1-CE1 4.28Å; L336-F342 HydrophobicContact CD1-CE2 3.98Å; L336-F342 HydrophobicContact CD1-CZ 3.93Å; L336-F342 HydrophobicContact CD2-CD2 4.19Å; L336-F342 HydrophobicContact CD2-CG 4.27Å
337K88.5Confident86.7Confident104 Ų10463.9 Ų63.945%0.45233%0.327SS..Hα-helixtrans-61.1-26173.9-86.7-179.1154.7179.20113.7H333 L339 M343H333-K337 WeakPolarHBondContact CE1-CE 3.31Å; H333-K337 PolarHBondContact CE1-NZ 3.07Å; H333-K337 VanDerWaalsContact CE1-NZ 3.33Å; H333-K337 WeakPolarHBondContact NE2-CD 3.24Å; H333-K337 WeakPolarHBondContact NE2-CE 3.32Å; H333-K337 PolarHBondContact NE2-NZ 3.38Å; H333-K337 VanDerWaalsContact O-CB 3.29Å; H333-K337 WeakPolarHBondContact O-CB 3.31Å; H333-K337 VanDerWaalsContact O-CG 3.28Å; H333-K337 WeakPolarHBondContact O-CG 2.98Å; H333-K337 PolarHBondContact O-N 3.45Å; K337-L339 PolarHBondContact O-N 3.16Å; K337-M343 HydrophobicContact CB-SD 4.4Å; K337-M343 HydrophobicContact CG-SD 3.95Å
338L90Very high87.2Confident135 Ų13561.4 Ų61.471%0.70731%0.313SS*.THydrogen-bonded Turntrans-76.4-10.2177.8-62.4172.2000112.7S334 E335 L336 P340S334-L338 WeakPolarHBondContact O-CG 3.43Å; E335-L338 WeakPolarHBondContact O-CB 3.19Å; E335-L338 PolarHBondContact O-N 3.23Å; L336-L338 PolarHBondContact O-N 3.3Å; L338-P340 WeakPolarHBondContact O-CD 3.42Å
339L89.9Confident87.6Confident16 Ų1659.6 Ų59.68%0.08430%0.301CS..  trans-98.1110178.3-63-176.8000110.3V242 V245 Y246 L336 K337 Q341 F342 M343V242-L339 HydrophobicContact CG1-CD1 3.81Å; V245-L339 HydrophobicContact CG1-CD2 4.15Å; V245-L339 HydrophobicContact CG2-CD2 4.33Å; Y246-L339 HydrophobicContact CE2-CD1 3.45Å; Y246-L339 VanDerWaalsContact CE2-CD1 3.45Å; Y246-L339 VanDerWaalsContact OH-CD1 3.26Å; Y246-L339 WeakPolarHBondContact OH-CD1 3.38Å; L336-L339 PolarHBondContact O-N 3.49Å; L336-L339 VanDerWaalsContact O-N 3.07Å; K337-L339 PolarHBondContact O-N 3.16Å; L339-Q341 PolarHBondContact O-N 3.34Å; L339-F342 HydrophobicContact CB-CB 4.09Å; L339-F342 PolarHBondContact O-N 2.72Å; L339-F342 VanDerWaalsContact O-N 3.11Å; L339-M343 PolarHBondContact O-N 3.42Å; L339-M343 VanDerWaalsContact O-N 3.15Å
340P87.8Confident87.9Confident90 Ų9058.1 Ų58.158%0.58429%0.293SS*.Hα-helixtrans-55.9-37.5177.5-25.334.8000112.6L338 F342 M343 E344L338-P340 WeakPolarHBondContact O-CD 3.42Å; P340-F342 VanDerWaalsContact C-N 3.31Å; P340-F342 PolarHBondContact O-N 3.32Å; P340-M343 PolarHBondContact O-N 2.95Å; P340-E344 WeakPolarHBondContact O-CB 3.36Å; P340-E344 PolarHBondContact O-N 3.41Å
341Q87Confident88.1Confident64 Ų6458.6 Ų58.630%0.29929%0.288SS..Hα-helixtrans-61.8-40.1-180-5881.61200111.6Q241 V242 L339 L345Q241-Q341 HydrophobicContact CB-CG 4.28Å; V242-Q341 HydrophobicContact CG2-CB 3.74Å; L339-Q341 PolarHBondContact O-N 3.34Å; Q341-L345 WeakPolarHBondContact O-CB 3.49Å; Q341-L345 PolarHBondContact O-N 2.89Å; Q341-L345 VanDerWaalsContact O-N 3.15Å
342F89.3Confident87.9Confident0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-69.3-42.8176.9177.9-95.5000111V242 L319 V323 L336 L339 P340 E344 L345 Y346V242-F342 HydrophobicContact CG1-CB 4.16Å; V242-F342 HydrophobicContact CG1-CD2 4.44Å; V242-F342 HydrophobicContact CG2-CB 3.85Å; L319-F342 HydrophobicContact CD1-CE2 4.21Å; L319-F342 HydrophobicContact CD2-CE2 4.36Å; V323-F342 HydrophobicContact CG1-CE1 4.26Å; V323-F342 HydrophobicContact CG1-CZ 4.26Å; V323-F342 HydrophobicContact CG2-CZ 4.06Å; L336-F342 HydrophobicContact CB-CD1 3.72Å; L336-F342 HydrophobicContact CB-CE1 3.88Å; L336-F342 HydrophobicContact CB-CG 4.07Å; L336-F342 HydrophobicContact CB-CZ 4.38Å; L336-F342 HydrophobicContact CD1-CD2 4.37Å; L336-F342 HydrophobicContact CD1-CE1 4.28Å; L336-F342 HydrophobicContact CD1-CE2 3.98Å; L336-F342 HydrophobicContact CD1-CZ 3.93Å; L336-F342 HydrophobicContact CD2-CD2 4.19Å; L336-F342 HydrophobicContact CD2-CG 4.27Å; L339-F342 HydrophobicContact CB-CB 4.09Å; L339-F342 PolarHBondContact O-N 2.72Å; L339-F342 VanDerWaalsContact O-N 3.11Å; P340-F342 VanDerWaalsContact C-N 3.31Å; P340-F342 PolarHBondContact O-N 3.32Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 3.34Å; F342-L345 PolarHBondContact O-N 3.4Å; F342-Y346 HydrophobicContact CZ-CD2 4.37Å; F342-Y346 WeakPolarHBondContact O-CB 3.33Å; F342-Y346 PolarHBondContact O-N 3.16Å
343M89.6Confident87.6Confident71 Ų7156.9 Ų56.935%0.3528%0.283SS..Hα-helixtrans-64.2-38.9-179.8-69.7-58.3-61.900112.3K337 L339 P340 K347K337-M343 HydrophobicContact CB-SD 4.4Å; K337-M343 HydrophobicContact CG-SD 3.95Å; L339-M343 PolarHBondContact O-N 3.42Å; L339-M343 VanDerWaalsContact O-N 3.15Å; P340-M343 PolarHBondContact O-N 2.95Å; M343-K347 WeakPolarHBondContact O-CB 3.37Å; M343-K347 PolarHBondContact O-N 2.66Å
344E88.1Confident87.2Confident129 Ų12957 Ų5760%0.60329%0.291SS*.Hα-helixtrans-64.7-47.3174.8-173.6178175.900111.7P340 F342 Y346 K347 Y348P340-E344 WeakPolarHBondContact O-CB 3.36Å; P340-E344 PolarHBondContact O-N 3.41Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 3.34Å; E344-Y346 PolarHBondContact O-N 3.3Å; E344-K347 PolarHBondContact O-N 3.45Å; E344-Y348 WeakPolarHBondContact O-CB 3.28Å; E344-Y348 PolarHBondContact O-N 3.16Å
345L86.9Confident85.9Confident0 Ų059.1 Ų59.10%030%0.301CS..Hα-helixtrans-58.1-49.6175.3174.663.2000111.4K235 D238 L239 Q341 F342 Y348 L349K235-L345 HydrophobicContact CB-CD1 4.07Å; K235-L345 HydrophobicContact CD-CD1 4.01Å; K235-L345 HydrophobicContact CG-CD1 4.37Å; D238-L345 HydrophobicContact CB-CB 4.45Å; D238-L345 HydrophobicContact CB-CD1 4.41Å; L239-L345 HydrophobicContact CB-CD2 4.05Å; L239-L345 HydrophobicContact CD1-CD2 3.81Å; Q341-L345 WeakPolarHBondContact O-CB 3.49Å; Q341-L345 PolarHBondContact O-N 2.89Å; Q341-L345 VanDerWaalsContact O-N 3.15Å; F342-L345 PolarHBondContact O-N 3.4Å; L345-Y348 WeakPolarHBondContact O-CB 3.18Å; L345-Y348 PolarHBondContact O-N 3.3Å; L345-L349 HydrophobicContact CD1-CD1 4.32Å; L345-L349 HydrophobicContact CD1-CG 4.47Å; L345-L349 HydrophobicContact CG-CD1 4.31Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 2.9Å; L345-L349 VanDerWaalsContact O-N 3.1Å
346Y88.1Confident84Confident23 Ų2358.3 Ų58.39%0.0930%0.301CS..Hα-helixtrans-64.8-43.9-178.3-171.8-93.1000111.4Y316 L319 T320 Y324 F342 E344 Y348 L349 D350Y316-Y346 HydrophobicContact CE2-CE2 4.42Å; L319-Y346 HydrophobicContact CB-CD2 4.43Å; L319-Y346 HydrophobicContact CB-CE2 4.43Å; T320-Y346 PolarHBondContact OG1-OH 3.13Å; Y324-Y346 HydrophobicContact CD2-CE1 4.19Å; Y324-Y346 AromaticContact CD2-CE2 3.75Å; Y324-Y346 HydrophobicContact CD2-CE2 3.75Å; Y324-Y346 AromaticContact CD2-CZ 3.55Å; Y324-Y346 AromaticContact CE2-CD1 3.94Å; Y324-Y346 HydrophobicContact CE2-CD1 3.94Å; Y324-Y346 AromaticContact CE2-CD2 3.78Å; Y324-Y346 HydrophobicContact CE2-CD2 3.78Å; Y324-Y346 AromaticContact CE2-CE1 3.59Å; Y324-Y346 HydrophobicContact CE2-CE1 3.59Å; Y324-Y346 AromaticContact CE2-CE2 3.4Å; Y324-Y346 HydrophobicContact CE2-CE2 3.4Å; Y324-Y346 VanDerWaalsContact CE2-CE2 3.4Å; Y324-Y346 HydrophobicContact CE2-CG 4.03Å; Y324-Y346 AromaticContact CE2-CZ 3.31Å; Y324-Y346 AromaticContact CZ-CD1 3.99Å; Y324-Y346 AromaticContact CZ-CE1 3.8Å; F342-Y346 HydrophobicContact CZ-CD2 4.37Å; F342-Y346 WeakPolarHBondContact O-CB 3.33Å; F342-Y346 PolarHBondContact O-N 3.16Å; E344-Y346 PolarHBondContact O-N 3.3Å; Y346-Y348 VanDerWaalsContact C-N 3.29Å; Y346-Y348 PolarHBondContact O-N 3.39Å; Y346-L349 PolarHBondContact O-N 3.17Å; Y346-L349 VanDerWaalsContact O-N 3.17Å; Y346-D350 HydrophobicContact CD1-CB 4.45Å; Y346-D350 HydrophobicContact CE1-CB 4.23Å; Y346-D350 VanDerWaalsContact O-CB 3.29Å; Y346-D350 WeakPolarHBondContact O-CB 3.36Å; Y346-D350 PolarHBondContact O-N 3.1Å
347K89Confident81.9Confident140 Ų14061.5 Ų61.561%0.60933%0.327SS*.Hα-helixtrans-59.6-39.5176.7-174.7-179.8-178.6-178.50112.1M343 E344 D350 N351M343-K347 WeakPolarHBondContact O-CB 3.37Å; M343-K347 PolarHBondContact O-N 2.66Å; E344-K347 PolarHBondContact O-N 3.45Å; K347-D350 PolarHBondContact O-N 3.42Å; K347-N351 WeakPolarHBondContact O-CB 3.31Å; K347-N351 PolarHBondContact O-N 3.1Å; K347-N351 PolarHBondContact O-ND2 2.69Å
348Y85.7Confident79.4Confident82 Ų8258.6 Ų58.632%0.32233%0.326SS..Hα-helixtrans-61.3-48.9174.6175.8-90.4000111.7K235 L312 E344 L345 Y346 D350 N351 M352K235-Y348 HydrophobicContact CD-CD1 4.23Å; K235-Y348 HydrophobicContact CD-CE1 4.44Å; K235-Y348 HydrophobicContact CG-CD1 4.36Å; K235-Y348 HydrophobicContact CG-CE1 4.2Å; L312-Y348 HydrophobicContact CD1-CE1 4.25Å; E344-Y348 WeakPolarHBondContact O-CB 3.28Å; E344-Y348 PolarHBondContact O-N 3.16Å; L345-Y348 WeakPolarHBondContact O-CB 3.18Å; L345-Y348 PolarHBondContact O-N 3.3Å; Y346-Y348 VanDerWaalsContact C-N 3.29Å; Y346-Y348 PolarHBondContact O-N 3.39Å; Y348-D350 VanDerWaalsContact C-N 3.34Å; Y348-D350 PolarHBondContact O-N 3.32Å; Y348-N351 PolarHBondContact O-N 3.49Å; Y348-M352 HydrophobicContact CE1-SD 3.83Å; Y348-M352 WeakPolarHBondContact O-CB 3.46Å; Y348-M352 PolarHBondContact O-N 3.24Å; Y348-M352 VanDerWaalsContact O-N 3.1Å
349L86.2Confident76.8Confident0 Ų056 Ų560%032%0.316CS..Hα-helixtrans-63.2-41.7178.5-66.2173000111.9L312 L315 Y316 L319 L345 Y346 M352 F353L312-L349 HydrophobicContact CB-CD2 3.95Å; L312-L349 HydrophobicContact CD1-CD2 4.16Å; L312-L349 HydrophobicContact CD2-CD2 4.17Å; L312-L349 HydrophobicContact CG-CD2 4.33Å; L315-L349 HydrophobicContact CD2-CD1 3.7Å; L315-L349 HydrophobicContact CD2-CD2 4.48Å; L315-L349 HydrophobicContact CG-CD1 4.07Å; Y316-L349 HydrophobicContact CD2-CB 3.73Å; Y316-L349 HydrophobicContact CG-CB 4.31Å; L319-L349 HydrophobicContact CD1-CD1 4.23Å; L345-L349 HydrophobicContact CD1-CD1 4.32Å; L345-L349 HydrophobicContact CD1-CG 4.47Å; L345-L349 HydrophobicContact CG-CD1 4.31Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 2.9Å; L345-L349 VanDerWaalsContact O-N 3.1Å; Y346-L349 PolarHBondContact O-N 3.17Å; Y346-L349 VanDerWaalsContact O-N 3.17Å; L349-M352 WeakPolarHBondContact O-CB 3.37Å; L349-M352 PolarHBondContact O-N 2.58Å; L349-F353 HydrophobicContact CD2-CE2 4.2Å; L349-F353 WeakPolarHBondContact O-CB 2.98Å; L349-F353 VanDerWaalsContact O-CD2 3.31Å; L349-F353 WeakPolarHBondContact O-CD2 3.46Å; L349-F353 PolarHBondContact O-N 2.72Å
350D88.5Confident74.5Confident55 Ų5558.7 Ų58.729%0.29433%0.33SS..Hα-helixtrans-62-50.7178.5-165.761.7000110.9Y316 Y346 K347 Y348 M352 F353 A354Y316-D350 HydrophobicContact CE2-CB 4.18Å; Y316-D350 PolarHBondContact OH-OD1 2.85Å; Y346-D350 HydrophobicContact CD1-CB 4.45Å; Y346-D350 HydrophobicContact CE1-CB 4.23Å; Y346-D350 VanDerWaalsContact O-CB 3.29Å; Y346-D350 WeakPolarHBondContact O-CB 3.36Å; Y346-D350 PolarHBondContact O-N 3.1Å; K347-D350 PolarHBondContact O-N 3.42Å; Y348-D350 VanDerWaalsContact C-N 3.34Å; Y348-D350 PolarHBondContact O-N 3.32Å; D350-M352 PolarHBondContact O-N 3.49Å; D350-M352 VanDerWaalsContact O-N 3.14Å; D350-F353 PolarHBondContact O-N 3.44Å; D350-A354 WeakPolarHBondContact O-CB 3.46Å; D350-A354 PolarHBondContact O-N 2.85Å
351N87.2Confident72Confident101 Ų10157.5 Ų57.554%0.5432%0.323SS..Hα-helixtrans-58.7-29.8175-73.3-15.5000113.2K347 Y348 T355K347-N351 WeakPolarHBondContact O-CB 3.31Å; K347-N351 PolarHBondContact O-N 3.1Å; K347-N351 PolarHBondContact O-ND2 2.69Å; Y348-N351 PolarHBondContact O-N 3.49Å; N351-T355 PolarHBondContact O-OG1 3.37Å; N351-T355 VanDerWaalsContact O-OG1 3.05Å
352M82.6Confident69.3Low20 Ų2059 Ų5910%0.09934%0.337CS..Hα-helixtrans-79.8-33.1-178.6-171.5167.9178.400112.6L312 Y348 L349 D350 R392L312-M352 HydrophobicContact CD1-CE 4.38Å; L312-M352 HydrophobicContact CD1-SD 4.11Å; Y348-M352 HydrophobicContact CE1-SD 3.83Å; Y348-M352 WeakPolarHBondContact O-CB 3.46Å; Y348-M352 PolarHBondContact O-N 3.24Å; Y348-M352 VanDerWaalsContact O-N 3.1Å; L349-M352 WeakPolarHBondContact O-CB 3.37Å; L349-M352 PolarHBondContact O-N 2.58Å; D350-M352 PolarHBondContact O-N 3.49Å; D350-M352 VanDerWaalsContact O-N 3.14Å; M352-R392 HydrophobicContact CE-CB 3.45Å; M352-R392 VanDerWaalsContact CE-CB 3.45Å; M352-R392 HydrophobicContact CE-CG 4.06Å; M352-R392 WeakPolarHBondContact CE-O 3.44Å
353F83.5Confident66.7Low12 Ų1263.5 Ų63.55%0.05336%0.361CS..Hα-helixtrans-126.6-18.6-165.4-67.1-55.8000116L312 K313 Y316 L349 D350L312-F353 HydrophobicContact CB-CE2 3.68Å; L312-F353 HydrophobicContact CB-CZ 3.88Å; K313-F353 HydrophobicContact CB-CD1 4.3Å; K313-F353 HydrophobicContact CB-CE1 3.84Å; K313-F353 HydrophobicContact CB-CE2 4.39Å; K313-F353 HydrophobicContact CB-CZ 3.9Å; K313-F353 HydrophobicContact CD-CB 3.96Å; K313-F353 HydrophobicContact CD-CD1 3.38Å; K313-F353 HydrophobicContact CD-CD2 4.23Å; K313-F353 HydrophobicContact CD-CE1 3.83Å; K313-F353 HydrophobicContact CD-CG 3.59Å; K313-F353 HydrophobicContact CD-CZ 4.45Å; K313-F353 HydrophobicContact CG-CD1 4.38Å; K313-F353 HydrophobicContact CG-CE1 4.38Å; K313-F353 PolarHBondContact NZ-O 2.83Å; Y316-F353 HydrophobicContact CD1-CB 3.65Å; Y316-F353 HydrophobicContact CD1-CD2 4.28Å; Y316-F353 HydrophobicContact CD1-CG 4.3Å; Y316-F353 HydrophobicContact CE1-CB 3.85Å; Y316-F353 HydrophobicContact CG-CB 4.1Å; Y316-F353 HydrophobicContact CG-CD2 4.03Å; Y316-F353 HydrophobicContact CG-CG 4.48Å; L349-F353 HydrophobicContact CD2-CE2 4.2Å; L349-F353 WeakPolarHBondContact O-CB 2.98Å; L349-F353 VanDerWaalsContact O-CD2 3.31Å; L349-F353 WeakPolarHBondContact O-CD2 3.46Å; L349-F353 PolarHBondContact O-N 2.72Å; D350-F353 PolarHBondContact O-N 3.44Å
354A78.6Confident64.2Low42 Ų4267.4 Ų67.435%0.34737%0.372SS..THydrogen-bonded Turntrans-72.3-44.3176.300000111.1D350 C356 A357D350-A354 WeakPolarHBondContact O-CB 3.46Å; D350-A354 PolarHBondContact O-N 2.85Å; A354-C356 VanDerWaalsContact C-N 3.32Å; A354-C356 PolarHBondContact O-N 3.31Å; A354-A357 WeakPolarHBondContact O-CB 3.33Å; A354-A357 PolarHBondContact O-N 2.81Å
355T59Low61.6Low104 Ų10469.4 Ų69.464%0.63838%0.381SS*.THydrogen-bonded Turntrans-64.8-33.1178.77.30000112.8N351 A357N351-T355 PolarHBondContact O-OG1 3.37Å; N351-T355 VanDerWaalsContact O-OG1 3.05Å; T355-A357 VanDerWaalsContact C-N 3.26Å; T355-A357 PolarHBondContact O-N 3.16Å
356C50.1Low59Low36 Ų3678.4 Ų78.424%0.24342%0.421CS..Hα-helixtrans-73.2-12-179.7-71.50000114.4A354 G358A354-C356 VanDerWaalsContact C-N 3.32Å; A354-C356 PolarHBondContact O-N 3.31Å; C356-G358 PolarHBondContact O-N 3.05Å
357A44.9Very low56.7Low68 Ų6880.4 Ų80.456%0.56243%0.432SS*.Hα-helixtrans-64.8-27.1177.800000112.5A354 T355A354-A357 WeakPolarHBondContact O-CB 3.33Å; A354-A357 PolarHBondContact O-N 2.81Å; T355-A357 VanDerWaalsContact C-N 3.26Å; T355-A357 PolarHBondContact O-N 3.16Å
358G35.6Very low54.4Low42 Ų4277.7 Ų77.743%0.43344%0.436SS..Hα-helixtrans-81.9-42.2177.900000113.7C356 L360 C361 T362C356-G358 PolarHBondContact O-N 3.05Å; G358-L360 VanDerWaalsContact C-N 3.33Å; G358-L360 PolarHBondContact O-N 3.39Å; G358-C361 PolarHBondContact O-N 3.03Å; G358-C361 VanDerWaalsContact O-N 3.09Å; G358-T362 PolarHBondContact O-N 3.13Å
359T35.8Very low52.1Low80 Ų8079.7 Ų79.749%0.49146%0.457SS..Hα-helixtrans-67.4-33.1-172.1-22.50000112.6C361 T362T359-C361 PolarHBondContact O-N 2.94Å; T359-T362 PolarHBondContact O-OG1 2.96Å
360L40.1Very low49.6Very low73 Ų7387.2 Ų87.238%0.38250%0.497SS..Hα-helixtrans-73-12.4176.3-71.8168000113.9G358 R364 M389G358-L360 VanDerWaalsContact C-N 3.33Å; G358-L360 PolarHBondContact O-N 3.39Å; L360-R364 VanDerWaalsContact O-CG 3.31Å; L360-R364 WeakPolarHBondContact O-CG 3.46Å; L360-R364 PolarHBondContact O-NE 2.73Å; L360-M389 HydrophobicContact CD2-SD 4.49Å
361C36.1Very low47.6Very low65 Ų6589.3 Ų89.344%0.43950%0.501SS..Hα-helixtrans-97.2-35.9178.2-81.60000112.7G358 T359 R364G358-C361 PolarHBondContact O-N 3.03Å; G358-C361 VanDerWaalsContact O-N 3.09Å; T359-C361 PolarHBondContact O-N 2.94Å; C361-R364 VanDerWaalsContact O-CB 3.32Å; C361-R364 WeakPolarHBondContact O-CB 3.26Å; C361-R364 PolarHBondContact O-N 3.27Å
362T29.9Very low45.6Very low96 Ų9692.9 Ų92.959%0.58952%0.519SS*.Hα-helixtrans-72.6-29.8-177.147.80000113.3G358 T359 R364G358-T362 PolarHBondContact O-N 3.13Å; T359-T362 PolarHBondContact O-OG1 2.96Å; T362-R364 PolarHBondContact O-N 2.94Å
363D34.6Very low44Very low95 Ų95100.2 Ų100.251%0.50855%0.553SS.*Hα-helixtrans-76.7-8.7176.3-72.4-15.9000113E365 I367D363-E365 PolarHBondContact O-N 2.89Å; D363-I367 HydrophobicContact CB-CD1 3.95Å; D363-I367 WeakPolarHBondContact O-CB 3.2Å; D363-I367 WeakPolarHBondContact O-CG1 3.31Å
364R38.3Very low42.6Very low152 Ų152101.7 Ų101.757%0.57456%0.564SS**Hα-helixtrans-68.6-31.8-176.9-70.7-178.2175.6-177.4-4.5114.1L360 C361 T362L360-R364 VanDerWaalsContact O-CG 3.31Å; L360-R364 WeakPolarHBondContact O-CG 3.46Å; L360-R364 PolarHBondContact O-NE 2.73Å; C361-R364 VanDerWaalsContact O-CB 3.32Å; C361-R364 WeakPolarHBondContact O-CB 3.26Å; C361-R364 PolarHBondContact O-N 3.27Å; T362-R364 PolarHBondContact O-N 2.94Å
365E33.4Very low42.1Very low171 Ų171104.9 Ų104.980%0.79958%0.575SS**Hα-helixtrans-98.9-28.4-169.4-72.5-178.7169.200113.4D363D363-E365 PolarHBondContact O-N 2.89Å
366K31.4Very low43Very low190 Ų190107 Ų10783%0.82658%0.578SS**Hα-helixtrans-85.2-18.1-179.6-74.8-173.1175.2-178.20114.5
367I40.1Very low44.3Very low64 Ų64111.8 Ų111.833%0.32860%0.597SS.*SBendtrans-100.6-19.5-169.2-66.9-177.9000112.9D363 T369D363-I367 HydrophobicContact CB-CD1 3.95Å; D363-I367 WeakPolarHBondContact O-CB 3.2Å; D363-I367 WeakPolarHBondContact O-CG1 3.31Å; I367-T369 PolarHBondContact O-N 2.79Å
368A40.8Very low46.1Very low83 Ų83112.5 Ų112.569%0.68659%0.591SS**SBendtrans-77.1-20.6-168.400000115
369T37.4Very low48.6Very low125 Ų125111.6 Ų111.677%0.76758%0.575SS**SBendtrans-92.6-15.9-167.832.50000116.1I367I367-T369 PolarHBondContact O-N 2.79Å
370D34.2Very low51Low157 Ų157111 Ų11184%0.8457%0.569SS**SBendtrans-124.710.5-168.5-120.4-3.9000116.8L372D370-L372 PolarHBondContact O-N 3.34Å
371R45.7Very low53.3Low100 Ų100112.2 Ų112.238%0.37758%0.575SS.*  trans-92.342.3-169.2-75.9-169.7174.7-175.57.2116Q373R371-Q373 VanDerWaalsContact C-N 3.31Å
372L46.2Very low55.8Low175 Ų175110.8 Ų110.892%0.91656%0.563SS**SBendtrans-80.6-8.2175.1-105143.1000114.1D370D370-L372 PolarHBondContact O-N 3.34Å
373Q48.1Very low58.7Low175 Ų175108 Ų10882%0.81854%0.543SS*.  trans-14374.2170.9-69.1-179.7-7.500110.6R371 N375R371-Q373 VanDerWaalsContact C-N 3.31Å; Q373-N375 PolarHBondContact O-N 3.14Å
374C54.6Low61.4Low43 Ų43107 Ų10729%0.29154%0.543SS..  trans-70.7116.6167.4-59.40000108.5
375N67.6Low63.9Low108 Ų108102.7 Ų102.758%0.57854%0.536SS*.  trans-66.2155173.5-76.3-24.1000110.3Q373 H377 D378 F379Q373-N375 PolarHBondContact O-N 3.14Å; N375-H377 PolarHBondContact O-N 3.28Å; N375-D378 PolarHBondContact N-OD2 2.81Å; N375-D378 WeakPolarHBondContact O-CB 3.48Å; N375-D378 PolarHBondContact O-N 2.7Å; N375-F379 PolarHBondContact O-N 3.47Å; N375-F379 VanDerWaalsContact O-N 3.13Å
376E77.5Confident66.6Low150 Ų15094.6 Ų94.670%0.70150%0.498SS*.Hα-helixtrans-57.4-33.1179.6-171.5169.4-169.800112.2F379 N380E376-F379 PolarHBondContact O-N 3.02Å; E376-N380 PolarHBondContact O-N 3.43Å; E376-N380 PolarHBondContact O-ND2 3.31Å
377H77.9Confident69.4Low135 Ų13586.4 Ų86.463%0.62546%0.463SS*.Hα-helixtrans-62.3-45.1173.4-167.4-60.7000112.5N375 F379 N380 I381N375-H377 PolarHBondContact O-N 3.28Å; H377-F379 VanDerWaalsContact C-N 3.3Å; H377-F379 PolarHBondContact O-N 2.88Å; H377-N380 PolarHBondContact O-N 2.76Å; H377-I381 WeakPolarHBondContact ND1-CD1 3.4Å; H377-I381 PolarHBondContact O-N 2.79Å; H377-I381 VanDerWaalsContact O-N 3.15Å
378D83.8Confident71.6Confident83 Ų8386 Ų8644%0.44447%0.47SS..Hα-helixtrans-65.2-38179.7-60.9-35.8000111N375 I381 L382N375-D378 PolarHBondContact N-OD2 2.81Å; N375-D378 WeakPolarHBondContact O-CB 3.48Å; N375-D378 PolarHBondContact O-N 2.7Å; D378-I381 PolarHBondContact O-N 3.08Å; D378-L382 WeakPolarHBondContact O-CB 3.33Å; D378-L382 PolarHBondContact O-N 3.4Å
379F86.9Confident73.8Confident23 Ų2384.9 Ų84.910%0.10145%0.451CS..Hα-helixtrans-64.3-40.1175.1-174.8-87.5000111.9N375 E376 H377 L382 F383 V405 R409 L440 L443N375-F379 PolarHBondContact O-N 3.47Å; N375-F379 VanDerWaalsContact O-N 3.13Å; E376-F379 PolarHBondContact O-N 3.02Å; H377-F379 VanDerWaalsContact C-N 3.3Å; H377-F379 PolarHBondContact O-N 2.88Å; F379-L382 PolarHBondContact O-N 3.23Å; F379-F383 HydrophobicContact CD1-CB 4.45Å; F379-F383 HydrophobicContact CE1-CB 4.15Å; F379-F383 VanDerWaalsContact O-CB 3.26Å; F379-F383 WeakPolarHBondContact O-CB 3.43Å; F379-F383 PolarHBondContact O-N 3.39Å; F379-V405 HydrophobicContact CE1-CG1 4Å; F379-V405 HydrophobicContact CZ-CG1 4.14Å; F379-V405 HydrophobicContact CZ-CG2 4.35Å; F379-R409 VanDerWaalsContact CD1-NH2 3.34Å; F379-L440 HydrophobicContact CE2-CB 4.28Å; F379-L440 HydrophobicContact CE2-CD2 4.44Å; F379-L440 HydrophobicContact CZ-CD2 4.31Å; F379-L443 HydrophobicContact CE1-CD2 4.12Å; F379-L443 HydrophobicContact CE2-CB 3.75Å; F379-L443 HydrophobicContact CE2-CD2 3.73Å; F379-L443 HydrophobicContact CE2-CG 4.4Å; F379-L443 HydrophobicContact CZ-CB 4.3Å; F379-L443 HydrophobicContact CZ-CD2 3.38Å; F379-L443 HydrophobicContact CZ-CG 4.47Å
380N87Confident76.1Confident67 Ų6779 Ų7936%0.35842%0.415SS..Hα-helixtrans-67.4-35.7179.1-73.2-27.8000112.7E376 H377 S384 R409E376-N380 PolarHBondContact O-N 3.43Å; E376-N380 PolarHBondContact O-ND2 3.31Å; H377-N380 PolarHBondContact O-N 2.76Å; N380-S384 WeakPolarHBondContact O-CB 3.39Å; N380-S384 PolarHBondContact O-N 3.44Å; N380-S384 PolarHBondContact O-OG 3.05Å; N380-R409 PolarHBondContact OD1-NH2 2.72Å
381I88.4Confident78.5Confident100 Ų10076.7 Ų76.751%0.51340%0.397SS..Hα-helixtrans-63-49.2171.5-64.5170.6000109.9H377 D378 F383 S384 S385H377-I381 WeakPolarHBondContact ND1-CD1 3.4Å; H377-I381 PolarHBondContact O-N 2.79Å; H377-I381 VanDerWaalsContact O-N 3.15Å; D378-I381 PolarHBondContact O-N 3.08Å; I381-F383 PolarHBondContact O-N 3.11Å; I381-S384 PolarHBondContact O-N 2.78Å; I381-S385 PolarHBondContact O-N 3.33Å
382L88.8Confident80.2Confident35 Ų3577.2 Ų77.218%0.18340%0.399CS..Hα-helixtrans-59.9-47.4-179.8-174.158000111.1D378 F379 S384 S385 T386 T439 L440D378-L382 WeakPolarHBondContact O-CB 3.33Å; D378-L382 PolarHBondContact O-N 3.4Å; F379-L382 PolarHBondContact O-N 3.23Å; L382-S384 PolarHBondContact O-N 3.11Å; L382-S385 WeakPolarHBondContact O-CB 3.48Å; L382-S385 PolarHBondContact O-N 2.85Å; L382-T386 PolarHBondContact O-N 2.93Å; L382-T386 PolarHBondContact O-OG1 2.87Å; L382-T439 WeakPolarHBondContact CD2-O 3.48Å; L382-T439 WeakPolarHBondContact CG-O 3.44Å; L382-L440 HydrophobicContact CG-CD2 4.46Å
383F90.5Very high81.8Confident38 Ų3869.1 Ų69.117%0.16736%0.357CS..Hα-helixtrans-56.7-47.6175.2-179.6-106.5000111.8F379 I381 S385 T386 I387 I401 E402 V405 L440F379-F383 HydrophobicContact CD1-CB 4.45Å; F379-F383 HydrophobicContact CE1-CB 4.15Å; F379-F383 VanDerWaalsContact O-CB 3.26Å; F379-F383 WeakPolarHBondContact O-CB 3.43Å; F379-F383 PolarHBondContact O-N 3.39Å; I381-F383 PolarHBondContact O-N 3.11Å; F383-S385 VanDerWaalsContact C-N 3.34Å; F383-S385 PolarHBondContact O-N 2.83Å; F383-T386 PolarHBondContact O-N 2.95Å; F383-I387 HydrophobicContact CD1-CG1 4.29Å; F383-I387 HydrophobicContact CD2-CG1 4.46Å; F383-I387 HydrophobicContact CE1-CG1 3.94Å; F383-I387 HydrophobicContact CE2-CD1 4.07Å; F383-I387 HydrophobicContact CE2-CG1 4.13Å; F383-I387 HydrophobicContact CZ-CD1 3.97Å; F383-I387 HydrophobicContact CZ-CG1 3.86Å; F383-I387 WeakPolarHBondContact O-CG1 3.29Å; F383-I387 PolarHBondContact O-N 3.09Å; F383-I401 HydrophobicContact CD2-CG2 4.35Å; F383-I401 HydrophobicContact CE2-CG2 3.85Å; F383-E402 HydrophobicContact CZ-CG 4.24Å; F383-V405 HydrophobicContact CD2-CB 4.46Å; F383-V405 HydrophobicContact CD2-CG1 4.29Å; F383-V405 HydrophobicContact CD2-CG2 3.94Å; F383-V405 HydrophobicContact CE2-CB 3.97Å; F383-V405 HydrophobicContact CE2-CG1 4.08Å; F383-V405 HydrophobicContact CE2-CG2 3.74Å; F383-L440 HydrophobicContact CB-CD2 4.36Å; F383-L440 HydrophobicContact CD2-CD2 4.26Å
384S90.7Very high83.6Confident74 Ų7460.8 Ų60.852%0.51732%0.318SS..Hα-helixtrans-61.7-41.5178.7-58.50000112.2N380 I381 L382 I387 A388N380-S384 WeakPolarHBondContact O-CB 3.39Å; N380-S384 PolarHBondContact O-N 3.44Å; N380-S384 PolarHBondContact O-OG 3.05Å; I381-S384 PolarHBondContact O-N 2.78Å; L382-S384 PolarHBondContact O-N 3.11Å; S384-I387 PolarHBondContact O-N 3.09Å; S384-A388 PolarHBondContact O-N 2.98Å
385S90.5Very high85.1Confident61 Ų6158.9 Ų58.943%0.42731%0.306SS..Hα-helixtrans-62.2-44.9173.7-1790000111.7I381 L382 F383 I387 A388 M389I381-S385 PolarHBondContact O-N 3.33Å; L382-S385 WeakPolarHBondContact O-CB 3.48Å; L382-S385 PolarHBondContact O-N 2.85Å; F383-S385 VanDerWaalsContact C-N 3.34Å; F383-S385 PolarHBondContact O-N 2.83Å; S385-I387 PolarHBondContact O-N 3.34Å; S385-A388 WeakPolarHBondContact O-CB 3.31Å; S385-A388 PolarHBondContact O-N 3.16Å; S385-M389 WeakPolarHBondContact O-CG 3.49Å; S385-M389 PolarHBondContact O-N 2.82Å
386T89.8Confident86.1Confident0 Ų053.8 Ų53.80%028%0.278CS..Hα-helixtrans-62.5-41.5177.1-53.20000112.2L382 F383 M389 A390 I401 L436 T439 L440L382-T386 PolarHBondContact O-N 2.93Å; L382-T386 PolarHBondContact O-OG1 2.87Å; F383-T386 PolarHBondContact O-N 2.95Å; T386-M389 PolarHBondContact O-N 2.97Å; T386-A390 WeakPolarHBondContact O-CB 3.18Å; T386-A390 PolarHBondContact O-N 2.91Å; T386-I401 HydrophobicContact CG2-CD1 4.03Å; T386-L436 HydrophobicContact CG2-CB 4.38Å; T386-L436 HydrophobicContact CG2-CD2 4.48Å; T386-L436 WeakPolarHBondContact CG2-O 3.35Å; T386-T439 VanDerWaalsContact CG2-OG1 3.28Å; T386-T439 WeakPolarHBondContact CG2-OG1 3.4Å; T386-T439 PolarHBondContact OG1-OG1 2.77Å; T386-L440 HydrophobicContact CG2-CD1 4.42Å; T386-L440 HydrophobicContact CG2-CD2 4.27Å; T386-L440 HydrophobicContact CG2-CG 4.28Å
387I90.4Very high86.7Confident18 Ų1846.6 Ų46.69%0.09225%0.245CC..Hα-helixtrans-63.8-41.5174.1-67.5-52.8000111F383 S384 S385 M389 A390 K391 V398 I401 E402F383-I387 HydrophobicContact CD1-CG1 4.29Å; F383-I387 HydrophobicContact CD2-CG1 4.46Å; F383-I387 HydrophobicContact CE1-CG1 3.94Å; F383-I387 HydrophobicContact CE2-CD1 4.07Å; F383-I387 HydrophobicContact CE2-CG1 4.13Å; F383-I387 HydrophobicContact CZ-CD1 3.97Å; F383-I387 HydrophobicContact CZ-CG1 3.86Å; F383-I387 WeakPolarHBondContact O-CG1 3.29Å; F383-I387 PolarHBondContact O-N 3.09Å; S384-I387 PolarHBondContact O-N 3.09Å; S385-I387 PolarHBondContact O-N 3.34Å; I387-M389 VanDerWaalsContact C-N 3.32Å; I387-M389 PolarHBondContact O-N 2.9Å; I387-A390 PolarHBondContact O-N 2.96Å; I387-K391 HydrophobicContact CG2-CD 4.26Å; I387-K391 HydrophobicContact CG2-CG 4.34Å; I387-K391 WeakPolarHBondContact O-CB 3.39Å; I387-K391 WeakPolarHBondContact O-CG 3.41Å; I387-K391 PolarHBondContact O-N 3.46Å; I387-V398 HydrophobicContact CD1-CG1 4.18Å; I387-V398 HydrophobicContact CG2-CG1 4.02Å; I387-I401 HydrophobicContact CD1-CB 3.98Å; I387-I401 HydrophobicContact CD1-CG2 3.71Å; I387-E402 HydrophobicContact CD1-CG 4.45Å
388A87.1Confident87.3Confident56 Ų5640.9 Ų40.946%0.46322%0.219SC..Hα-helixtrans-61.7-39.8175.800000112S384 S385S384-A388 PolarHBondContact O-N 2.98Å; S385-A388 WeakPolarHBondContact O-CB 3.31Å; S385-A388 PolarHBondContact O-N 3.16Å
389M86.1Confident87.7Confident60 Ų6040.3 Ų40.330%0.29621%0.213SC..Hα-helixtrans-64.7-44.2172.4-68.8-174.2-73.200111.9L360 S385 T386 I387 K391 R392 L436 T439L360-M389 HydrophobicContact CD2-SD 4.49Å; S385-M389 WeakPolarHBondContact O-CG 3.49Å; S385-M389 PolarHBondContact O-N 2.82Å; T386-M389 PolarHBondContact O-N 2.97Å; I387-M389 VanDerWaalsContact C-N 3.32Å; I387-M389 PolarHBondContact O-N 2.9Å; M389-K391 PolarHBondContact O-N 3.31Å; M389-R392 WeakPolarHBondContact O-CB 3.2Å; M389-R392 PolarHBondContact O-N 3.03Å; M389-L436 HydrophobicContact CB-CD2 3.78Å; M389-T439 HydrophobicContact CE-CG2 4.09Å
390A87Confident88.1Confident0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-65.5-36.8179.900000113.1T386 I387 R392 S393 H394 M397 V398 I401 L436T386-A390 WeakPolarHBondContact O-CB 3.18Å; T386-A390 PolarHBondContact O-N 2.91Å; I387-A390 PolarHBondContact O-N 2.96Å; A390-R392 PolarHBondContact O-N 3.19Å; A390-S393 PolarHBondContact O-N 3.01Å; A390-H394 PolarHBondContact O-N 3.2Å; A390-M397 HydrophobicContact CB-CB 3.98Å; A390-V398 HydrophobicContact CB-CG2 3.93Å; A390-I401 HydrophobicContact CB-CD1 3.6Å; A390-L436 HydrophobicContact CB-CD1 4.1Å
391K84.6Confident88.5Confident109 Ų10936.1 Ų36.147%0.47419%0.191SC..Hα-helixtrans-59.4-30.5174.9-80-179.2177.9-174.70112.9I387 M389 S393 V398I387-K391 HydrophobicContact CG2-CD 4.26Å; I387-K391 HydrophobicContact CG2-CG 4.34Å; I387-K391 WeakPolarHBondContact O-CB 3.39Å; I387-K391 WeakPolarHBondContact O-CG 3.41Å; I387-K391 PolarHBondContact O-N 3.46Å; M389-K391 PolarHBondContact O-N 3.31Å; K391-S393 PolarHBondContact O-N 3.41Å; K391-V398 HydrophobicContact CB-CG2 4.25Å; K391-V398 HydrophobicContact CG-CG2 3.48Å; K391-V398 VanDerWaalsContact CG-CG2 3.48Å
392R80.4Confident88.8Confident112 Ų11234.8 Ų34.842%0.42318%0.183SC..Hα-helixtrans-67.8-25.8175-66.7179.886.2-178.82.7111.7M352 M389 A390M352-R392 HydrophobicContact CE-CB 3.45Å; M352-R392 VanDerWaalsContact CE-CB 3.45Å; M352-R392 HydrophobicContact CE-CG 4.06Å; M352-R392 WeakPolarHBondContact CE-O 3.44Å; M389-R392 WeakPolarHBondContact O-CB 3.2Å; M389-R392 PolarHBondContact O-N 3.03Å; A390-R392 PolarHBondContact O-N 3.19Å
393S81.4Confident89.1Confident5 Ų534.4 Ų34.44%0.03518%0.181CC..Hα-helixtrans-94.9-61.6-175.3-59.80000112.5F232 G311 L312 A390 K391 E432F232-S393 VanDerWaalsContact CZ-O 3.28Å; F232-S393 WeakPolarHBondContact CZ-O 3.37Å; G311-S393 WeakPolarHBondContact CA-O 3.45Å; L312-S393 PolarHBondContact N-O 3.23Å; A390-S393 PolarHBondContact O-N 3.01Å; K391-S393 PolarHBondContact O-N 3.41Å; S393-E432 WeakPolarHBondContact CB-OE1 3.49Å; S393-E432 PolarHBondContact OG-OE1 3.16Å
394H84.6Confident89.4Confident0 Ų032.6 Ų32.60%017%0.173CC..  trans-167.6143.7-178.9-161.7-91.9000112.2M229 I307 T308 A390 K396 M397 T532M229-H394 WeakPolarHBondContact CE-NE2 3.37Å; I307-H394 PolarHBondContact O-CD2 3.16Å; T308-H394 PolarHBondContact O-NE2 3.35Å; A390-H394 PolarHBondContact O-N 3.2Å; H394-K396 VanDerWaalsContact C-N 3.27Å; H394-K396 VanDerWaalsContact CE1-CG 3.47Å; H394-K396 WeakPolarHBondContact CE1-CG 3.19Å; H394-K396 VanDerWaalsContact ND1-CB 3.29Å; H394-K396 WeakPolarHBondContact ND1-CB 3.32Å; H394-K396 WeakPolarHBondContact ND1-CG 3.5Å; H394-K396 PolarHBondContact ND1-N 3.19Å; H394-K396 PolarHBondContact O-N 3.4Å; H394-M397 HydrophobicContact CB-CG 4.25Å; H394-M397 WeakPolarHBondContact O-CB 3.38Å; H394-M397 PolarHBondContact O-N 3.37Å; H394-T532 PolarHBondContact CE1-OG1 3.11Å
395S86.1Confident89.5Confident3 Ų329.1 Ų29.12%0.02115%0.149CC..Hα-helixtrans-62.9-29.4178.6-55.10000113.6D226 S228 M229 M397 V398 K399D226-S395 PolarHBondContact OD1-OG 3Å; D226-S395 VanDerWaalsContact OD1-OG 3.11Å; D226-S395 WeakPolarHBondContact OD2-CB 3.46Å; D226-S395 PolarHBondContact OD2-OG 3.39Å; S228-S395 PolarHBondContact OG-OG 3.38Å; M229-S395 VanDerWaalsContact CG-OG 3.29Å; M229-S395 WeakPolarHBondContact CG-OG 3.47Å; M229-S395 PolarHBondContact SD-OG 2.94Å; S395-M397 PolarHBondContact O-N 3.3Å; S395-V398 WeakPolarHBondContact O-CB 3.46Å; S395-V398 PolarHBondContact O-N 3.25Å; S395-K399 PolarHBondContact O-N 3.45Å
396K89Confident89.7Confident0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-57.1-36168.5-69176.4-160.8-171.60113.2I223 M309 H394 K399 L400 Y503 T532 E536I223-K396 HydrophobicContact CD1-CB 4.06Å; I223-K396 HydrophobicContact CD1-CG 3.57Å; M309-K396 PolarHBondContact O-NZ 2.87Å; H394-K396 VanDerWaalsContact C-N 3.27Å; H394-K396 VanDerWaalsContact CE1-CG 3.47Å; H394-K396 WeakPolarHBondContact CE1-CG 3.19Å; H394-K396 VanDerWaalsContact ND1-CB 3.29Å; H394-K396 WeakPolarHBondContact ND1-CB 3.32Å; H394-K396 WeakPolarHBondContact ND1-CG 3.5Å; H394-K396 PolarHBondContact ND1-N 3.19Å; H394-K396 PolarHBondContact O-N 3.4Å; K396-K399 PolarHBondContact O-N 3.17Å; K396-L400 WeakPolarHBondContact O-CB 3.46Å; K396-L400 PolarHBondContact O-N 3.19Å; K396-Y503 HydrophobicContact CB-CD2 4.25Å; K396-Y503 HydrophobicContact CB-CE2 3.46Å; K396-Y503 VanDerWaalsContact CB-CE2 3.46Å; K396-Y503 HydrophobicContact CD-CE1 4.19Å; K396-Y503 HydrophobicContact CD-CE2 4.26Å; K396-T532 WeakPolarHBondContact CE-OG1 3.42Å; K396-E536 WeakPolarHBondContact CE-OE2 3.39Å; K396-E536 IonicContact NZ-OE1 2.9Å; K396-E536 PolarHBondContact NZ-OE1 3.11Å; K396-E536 IonicContact NZ-OE2 3.72Å; K396-E536 PolarHBondContact NZ-OE2 3.25Å
397M90Very high89.9Confident0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-67.2-42178.8-65.2-163.317500110.7A390 H394 S395 K399 L400 I401 E432 I433 L436 Y503A390-M397 HydrophobicContact CB-CB 3.98Å; H394-M397 HydrophobicContact CB-CG 4.25Å; H394-M397 WeakPolarHBondContact O-CB 3.38Å; H394-M397 PolarHBondContact O-N 3.37Å; S395-M397 PolarHBondContact O-N 3.3Å; M397-K399 PolarHBondContact O-N 3.35Å; M397-L400 PolarHBondContact O-N 3.12Å; M397-I401 WeakPolarHBondContact O-CB 3.33Å; M397-I401 WeakPolarHBondContact O-CD1 3.44Å; M397-I401 WeakPolarHBondContact O-CG1 3.48Å; M397-I401 PolarHBondContact O-N 2.7Å; M397-E432 HydrophobicContact CE-CB 4.17Å; M397-E432 HydrophobicContact CE-CG 3.75Å; M397-E432 WeakPolarHBondContact CE-OE2 3.48Å; M397-E432 HydrophobicContact SD-CG 3.82Å; M397-I433 HydrophobicContact CE-CG1 4.39Å; M397-L436 HydrophobicContact CB-CD1 4.42Å; M397-L436 HydrophobicContact SD-CD1 3.67Å; M397-Y503 HydrophobicContact CG-CE2 4Å; M397-Y503 WeakPolarHBondContact CG-OH 3.46Å
398V91.4Very high90.1Very high14 Ų1431.1 Ų31.19%0.08515%0.153CC..Hα-helixtrans-55.5-53.6173.2176.90000109.7I387 A390 K391 S395 L400 I401 E402I387-V398 HydrophobicContact CD1-CG1 4.18Å; I387-V398 HydrophobicContact CG2-CG1 4.02Å; A390-V398 HydrophobicContact CB-CG2 3.93Å; K391-V398 HydrophobicContact CB-CG2 4.25Å; K391-V398 HydrophobicContact CG-CG2 3.48Å; K391-V398 VanDerWaalsContact CG-CG2 3.48Å; S395-V398 WeakPolarHBondContact O-CB 3.46Å; S395-V398 PolarHBondContact O-N 3.25Å; V398-L400 VanDerWaalsContact C-N 3.35Å; V398-L400 PolarHBondContact O-N 3.12Å; V398-I401 PolarHBondContact O-N 2.92Å; V398-I401 VanDerWaalsContact O-N 3.16Å; V398-E402 WeakPolarHBondContact O-CG 3.49Å; V398-E402 PolarHBondContact O-N 2.87Å
399K92.3Very high90.3Very high71 Ų7132.3 Ų32.331%0.30915%0.145SC..Hα-helixtrans-63.8-40-177.9-167.158.7175.7178.20112.8V221 I223 S395 K396 M397 I401 E402 L403V221-K399 HydrophobicContact CG1-CG 4.03Å; I223-K399 HydrophobicContact CD1-CB 4.03Å; I223-K399 HydrophobicContact CD1-CG 4.26Å; I223-K399 HydrophobicContact CG1-CB 3.98Å; I223-K399 HydrophobicContact CG1-CG 3.95Å; S395-K399 PolarHBondContact O-N 3.45Å; K396-K399 PolarHBondContact O-N 3.17Å; M397-K399 PolarHBondContact O-N 3.35Å; K399-I401 VanDerWaalsContact C-N 3.32Å; K399-I401 PolarHBondContact O-N 3.24Å; K399-E402 VanDerWaalsContact CD-OE2 3.29Å; K399-E402 WeakPolarHBondContact CD-OE2 3.46Å; K399-E402 IonicContact NZ-OE2 2.8Å; K399-E402 PolarHBondContact NZ-OE2 3.09Å; K399-E402 VanDerWaalsContact NZ-OE2 3.15Å; K399-E402 PolarHBondContact O-N 2.76Å; K399-L403 HydrophobicContact CG-CD1 3.99Å; K399-L403 HydrophobicContact CG-CG 4.42Å; K399-L403 WeakPolarHBondContact O-CB 3.25Å; K399-L403 WeakPolarHBondContact O-CD1 3.46Å; K399-L403 WeakPolarHBondContact O-CG 3.13Å; K399-L403 PolarHBondContact O-N 2.8Å
400L94.7Very high90.5Very high1 Ų134.7 Ų34.71%0.00515%0.154CC..Hα-helixtrans-58.5-45.7175177.4130.2000111.2K396 M397 V398 L403 V404 I422 I433 L437 V501 Y503 L530K396-L400 WeakPolarHBondContact O-CB 3.46Å; K396-L400 PolarHBondContact O-N 3.19Å; M397-L400 PolarHBondContact O-N 3.12Å; V398-L400 VanDerWaalsContact C-N 3.35Å; V398-L400 PolarHBondContact O-N 3.12Å; L400-L403 PolarHBondContact O-N 3.05Å; L400-V404 WeakPolarHBondContact O-CG2 3.41Å; L400-V404 PolarHBondContact O-N 3.45Å; L400-I422 HydrophobicContact CD1-CD1 4.25Å; L400-I422 HydrophobicContact CD1-CG1 4.48Å; L400-I422 HydrophobicContact CD1-CG2 3.65Å; L400-I422 HydrophobicContact CD2-CD1 4.16Å; L400-I422 HydrophobicContact CG-CD1 4.46Å; L400-I433 HydrophobicContact CD2-CG1 4.46Å; L400-I433 HydrophobicContact CD2-CG2 3.67Å; L400-L437 HydrophobicContact CD2-CD1 4.43Å; L400-V501 HydrophobicContact CD1-CB 4.43Å; L400-V501 HydrophobicContact CD1-CG1 3.76Å; L400-Y503 HydrophobicContact CD1-CD2 3.82Å; L400-L530 HydrophobicContact CB-CD1 3.81Å; L400-L530 HydrophobicContact CD1-CD1 4.11Å; L400-L530 HydrophobicContact CG-CD1 4.5Å
401I95.1Very high90.5Very high1 Ų135.3 Ų35.31%0.00516%0.159CC..Hα-helixtrans-65.6-43.9-179.4-67.5165.7000110.8F383 T386 I387 A390 M397 V398 K399 L403 V404 V405 L436 L437 L440F383-I401 HydrophobicContact CD2-CG2 4.35Å; F383-I401 HydrophobicContact CE2-CG2 3.85Å; T386-I401 HydrophobicContact CG2-CD1 4.03Å; I387-I401 HydrophobicContact CD1-CB 3.98Å; I387-I401 HydrophobicContact CD1-CG2 3.71Å; A390-I401 HydrophobicContact CB-CD1 3.6Å; M397-I401 WeakPolarHBondContact O-CB 3.33Å; M397-I401 WeakPolarHBondContact O-CD1 3.44Å; M397-I401 WeakPolarHBondContact O-CG1 3.48Å; M397-I401 PolarHBondContact O-N 2.7Å; V398-I401 PolarHBondContact O-N 2.92Å; V398-I401 VanDerWaalsContact O-N 3.16Å; K399-I401 VanDerWaalsContact C-N 3.32Å; K399-I401 PolarHBondContact O-N 3.24Å; I401-L403 PolarHBondContact O-N 3.47Å; I401-V404 PolarHBondContact O-N 3.22Å; I401-V405 HydrophobicContact CG2-CG2 4.41Å; I401-V405 WeakPolarHBondContact O-CB 3.21Å; I401-V405 WeakPolarHBondContact O-CG2 3.34Å; I401-V405 PolarHBondContact O-N 3.12Å; I401-L436 HydrophobicContact CD1-CB 4.08Å; I401-L436 HydrophobicContact CD1-CD1 4.24Å; I401-L437 HydrophobicContact CG1-CD2 4.07Å; I401-L440 HydrophobicContact CG2-CD1 3.77Å
402E94.7Very high90.6Very high72 Ų7236.7 Ų36.734%0.33617%0.167SC..Hα-helixtrans-55.6-50.1173.9-71.8174.7-179.700112F383 I387 V398 K399 V404 V405 D406F383-E402 HydrophobicContact CZ-CG 4.24Å; I387-E402 HydrophobicContact CD1-CG 4.45Å; V398-E402 WeakPolarHBondContact O-CG 3.49Å; V398-E402 PolarHBondContact O-N 2.87Å; K399-E402 VanDerWaalsContact CD-OE2 3.29Å; K399-E402 WeakPolarHBondContact CD-OE2 3.46Å; K399-E402 IonicContact NZ-OE2 2.8Å; K399-E402 PolarHBondContact NZ-OE2 3.09Å; K399-E402 VanDerWaalsContact NZ-OE2 3.15Å; K399-E402 PolarHBondContact O-N 2.76Å; E402-V404 PolarHBondContact O-N 2.87Å; E402-V405 PolarHBondContact O-N 2.76Å; E402-D406 VanDerWaalsContact O-CB 3.27Å; E402-D406 WeakPolarHBondContact O-CB 3.26Å; E402-D406 PolarHBondContact O-N 3.45Å
403L95Very high90.9Very high27 Ų2739.4 Ų39.414%0.14118%0.184CC..Hα-helixtrans-63.5-40.9-178.1-70.6166.6000112.2V221 K399 L400 I401 H407 L528 L530V221-L403 HydrophobicContact CG2-CD1 4.48Å; K399-L403 HydrophobicContact CG-CD1 3.99Å; K399-L403 HydrophobicContact CG-CG 4.42Å; K399-L403 WeakPolarHBondContact O-CB 3.25Å; K399-L403 WeakPolarHBondContact O-CD1 3.46Å; K399-L403 WeakPolarHBondContact O-CG 3.13Å; K399-L403 PolarHBondContact O-N 2.8Å; L400-L403 PolarHBondContact O-N 3.05Å; I401-L403 PolarHBondContact O-N 3.47Å; L403-H407 VanDerWaalsContact O-CB 3.32Å; L403-H407 WeakPolarHBondContact O-CB 3.43Å; L403-H407 PolarHBondContact O-N 3.07Å; L403-L528 HydrophobicContact CB-CD1 4.13Å; L403-L528 HydrophobicContact CD1-CD1 3.75Å; L403-L528 HydrophobicContact CD2-CD1 3.83Å; L403-L528 HydrophobicContact CG-CD1 4.11Å; L403-L530 HydrophobicContact CD1-CD2 3.68Å
404V95.8Very high91.1Very high0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-67.6-43.8178.2172.90000110.9L400 I401 E402 H407 F408 V420 I422 L437 V444L400-V404 WeakPolarHBondContact O-CG2 3.41Å; L400-V404 PolarHBondContact O-N 3.45Å; I401-V404 PolarHBondContact O-N 3.22Å; E402-V404 PolarHBondContact O-N 2.87Å; V404-H407 PolarHBondContact O-N 3.15Å; V404-F408 HydrophobicContact CG1-CD2 3.79Å; V404-F408 HydrophobicContact CG1-CE2 3.7Å; V404-F408 WeakPolarHBondContact O-CD2 3.43Å; V404-F408 PolarHBondContact O-N 2.93Å; V404-F408 VanDerWaalsContact O-N 3.1Å; V404-V420 HydrophobicContact CG2-CG1 4.37Å; V404-I422 HydrophobicContact CG2-CD1 4.04Å; V404-L437 HydrophobicContact CB-CD2 4.41Å; V404-L437 HydrophobicContact CG1-CD2 4.17Å; V404-V444 HydrophobicContact CG1-CG1 4.23Å; V404-V444 HydrophobicContact CG1-CG2 4.16Å
405V94.5Very high90.9Very high2 Ų249 Ų491%0.01225%0.25CS..Hα-helixtrans-66.9-44179.3169.70000111.4F379 F383 I401 E402 H407 F408 R409 L440 L443F379-V405 HydrophobicContact CE1-CG1 4Å; F379-V405 HydrophobicContact CZ-CG1 4.14Å; F379-V405 HydrophobicContact CZ-CG2 4.35Å; F383-V405 HydrophobicContact CD2-CB 4.46Å; F383-V405 HydrophobicContact CD2-CG1 4.29Å; F383-V405 HydrophobicContact CD2-CG2 3.94Å; F383-V405 HydrophobicContact CE2-CB 3.97Å; F383-V405 HydrophobicContact CE2-CG1 4.08Å; F383-V405 HydrophobicContact CE2-CG2 3.74Å; I401-V405 HydrophobicContact CG2-CG2 4.41Å; I401-V405 WeakPolarHBondContact O-CB 3.21Å; I401-V405 WeakPolarHBondContact O-CG2 3.34Å; I401-V405 PolarHBondContact O-N 3.12Å; E402-V405 PolarHBondContact O-N 2.76Å; V405-H407 VanDerWaalsContact C-N 3.33Å; V405-H407 PolarHBondContact O-N 3.47Å; V405-F408 PolarHBondContact O-N 3.16Å; V405-R409 HydrophobicContact CG1-CG 4.3Å; V405-R409 WeakPolarHBondContact O-CB 3.48Å; V405-R409 WeakPolarHBondContact O-CG 3.35Å; V405-R409 PolarHBondContact O-N 3Å; V405-L440 HydrophobicContact CG2-CD1 3.7Å; V405-L443 HydrophobicContact CG1-CD2 4.27Å
406D94.2Very high90.7Very high70 Ų7050.6 Ų50.637%0.37426%0.264SS..Hα-helixtrans-57.9-45.4175.4178.461.3000111.5E402 F408 R409 K410E402-D406 VanDerWaalsContact O-CB 3.27Å; E402-D406 WeakPolarHBondContact O-CB 3.26Å; E402-D406 PolarHBondContact O-N 3.45Å; D406-F408 PolarHBondContact O-N 2.81Å; D406-R409 PolarHBondContact O-N 3.22Å; D406-K410 WeakPolarHBondContact O-CB 3.35Å; D406-K410 WeakPolarHBondContact O-CG 3.21Å; D406-K410 PolarHBondContact O-N 3.01Å; D406-K410 WeakPolarHBondContact OD1-CE 3.46Å; D406-K410 IonicContact OD1-NZ 3.51Å; D406-K410 PolarHBondContact OD1-NZ 2.72Å; D406-K410 VanDerWaalsContact OD2-CE 3.3Å; D406-K410 WeakPolarHBondContact OD2-CE 3.4Å; D406-K410 IonicContact OD2-NZ 2.99Å; D406-K410 PolarHBondContact OD2-NZ 3.37Å
407H93.7Very high90.5Very high39 Ų3954.9 Ų54.918%0.18129%0.294CS..Hα-helixtrans-58.6-48.7176.6-178.880.7000112.7L403 V404 V405 S411 T418 L499L403-H407 VanDerWaalsContact O-CB 3.32Å; L403-H407 WeakPolarHBondContact O-CB 3.43Å; L403-H407 PolarHBondContact O-N 3.07Å; V404-H407 PolarHBondContact O-N 3.15Å; V405-H407 VanDerWaalsContact C-N 3.33Å; V405-H407 PolarHBondContact O-N 3.47Å; H407-S411 WeakPolarHBondContact O-CB 3.48Å; H407-S411 PolarHBondContact O-N 3.17Å; H407-T418 WeakPolarHBondContact NE2-CG2 3.2Å; H407-T418 PolarHBondContact NE2-OG1 3.27Å; H407-L499 HydrophobicContact CB-CD2 3.73Å
408F94.1Very high90.6Very high11 Ų1155.4 Ų55.45%0.04830%0.297CS..Hα-helixtrans-68.6-36.7179.3-78.8-64.3000112.9V404 V405 D406 S411 Q412 T418 V420 L443 V444 N480 T481V404-F408 HydrophobicContact CG1-CD2 3.79Å; V404-F408 HydrophobicContact CG1-CE2 3.7Å; V404-F408 WeakPolarHBondContact O-CD2 3.43Å; V404-F408 PolarHBondContact O-N 2.93Å; V404-F408 VanDerWaalsContact O-N 3.1Å; V405-F408 PolarHBondContact O-N 3.16Å; D406-F408 PolarHBondContact O-N 2.81Å; F408-S411 PolarHBondContact O-N 3.29Å; F408-Q412 WeakPolarHBondContact O-CB 3.39Å; F408-Q412 PolarHBondContact O-N 3.5Å; F408-T418 HydrophobicContact CD1-CG2 3.53Å; F408-T418 HydrophobicContact CE1-CG2 3.55Å; F408-V420 HydrophobicContact CD2-CG2 4.47Å; F408-V420 HydrophobicContact CE1-CG2 4.31Å; F408-V420 HydrophobicContact CE2-CB 4.41Å; F408-V420 HydrophobicContact CE2-CG2 3.63Å; F408-V420 HydrophobicContact CZ-CB 4.29Å; F408-V420 HydrophobicContact CZ-CG2 3.53Å; F408-L443 HydrophobicContact CB-CD1 3.9Å; F408-L443 HydrophobicContact CB-CD2 4.29Å; F408-L443 HydrophobicContact CB-CG 3.95Å; F408-V444 HydrophobicContact CD2-CG2 3.9Å; F408-V444 HydrophobicContact CE2-CG1 4.23Å; F408-V444 HydrophobicContact CE2-CG2 4.22Å; F408-N480 HydrophobicContact CE1-CB 3.85Å; F408-N480 WeakPolarHBondContact CE1-ND2 3.3Å; F408-N480 HydrophobicContact CZ-CB 3.86Å; F408-T481 VanDerWaalsContact CE2-OG1 3.3Å; F408-T481 WeakPolarHBondContact CE2-OG1 3.3Å; F408-T481 WeakPolarHBondContact CZ-OG1 3.49Å
409R91.3Very high90.6Very high82 Ų8257.2 Ų57.231%0.30930%0.302SS..Hα-helixtrans-61.6-47.8175-77.6177.8171.6-180-7.3111.5F379 N380 V405 D406 S411 Q412 Q413 L443F379-R409 VanDerWaalsContact CD1-NH2 3.34Å; N380-R409 PolarHBondContact OD1-NH2 2.72Å; V405-R409 HydrophobicContact CG1-CG 4.3Å; V405-R409 WeakPolarHBondContact O-CB 3.48Å; V405-R409 WeakPolarHBondContact O-CG 3.35Å; V405-R409 PolarHBondContact O-N 3Å; D406-R409 PolarHBondContact O-N 3.22Å; R409-S411 VanDerWaalsContact C-N 3.32Å; R409-S411 PolarHBondContact O-N 3.35Å; R409-Q412 PolarHBondContact O-N 3.26Å; R409-Q413 WeakPolarHBondContact O-CG 3.36Å; R409-Q413 PolarHBondContact O-N 3.45Å; R409-Q413 VanDerWaalsContact O-N 3.16Å; R409-L443 HydrophobicContact CG-CD2 4.41Å
410K90.4Very high90.7Very high109 Ų10953.9 Ų53.947%0.47429%0.288SS..Hα-helixtrans-59.4-42.4174.9-73.7171.1176.5166.90111.8D406 Q412 Q413 I414D406-K410 WeakPolarHBondContact O-CB 3.35Å; D406-K410 WeakPolarHBondContact O-CG 3.21Å; D406-K410 PolarHBondContact O-N 3.01Å; D406-K410 WeakPolarHBondContact OD1-CE 3.46Å; D406-K410 IonicContact OD1-NZ 3.51Å; D406-K410 PolarHBondContact OD1-NZ 2.72Å; D406-K410 VanDerWaalsContact OD2-CE 3.3Å; D406-K410 WeakPolarHBondContact OD2-CE 3.4Å; D406-K410 IonicContact OD2-NZ 2.99Å; D406-K410 PolarHBondContact OD2-NZ 3.37Å; K410-Q412 PolarHBondContact O-N 2.9Å; K410-Q413 PolarHBondContact O-N 3.46Å; K410-I414 WeakPolarHBondContact O-CG1 3.47Å; K410-I414 PolarHBondContact O-N 3.39Å
411S88.2Confident90.6Very high14 Ų1453.8 Ų53.810%0.09829%0.287CS..Hα-helixtrans-66.6-36.1178-164.70000113.2H407 F408 R409 Q413 I414 G415 A416 T418H407-S411 WeakPolarHBondContact O-CB 3.48Å; H407-S411 PolarHBondContact O-N 3.17Å; F408-S411 PolarHBondContact O-N 3.29Å; R409-S411 VanDerWaalsContact C-N 3.32Å; R409-S411 PolarHBondContact O-N 3.35Å; S411-Q413 VanDerWaalsContact C-N 3.35Å; S411-I414 PolarHBondContact O-N 2.97Å; S411-G415 PolarHBondContact O-N 2.86Å; S411-G415 VanDerWaalsContact O-N 3.1Å; S411-A416 PolarHBondContact O-N 3.32Å; S411-A416 VanDerWaalsContact O-N 3.17Å; S411-A416 PolarHBondContact OG-O 2.89Å; S411-T418 VanDerWaalsContact CB-CG2 3.43Å; S411-T418 VanDerWaalsContact OG-CB 3.29Å; S411-T418 WeakPolarHBondContact OG-CB 3.48Å; S411-T418 WeakPolarHBondContact OG-CG2 3.3Å
412Q86.2Confident90.6Very high137 Ų13753.8 Ų53.864%0.6429%0.287SS*.Hα-helixtrans-66.8-37.1178.1-171.8174-3.700111.6F408 R409 K410 I414 G415F408-Q412 WeakPolarHBondContact O-CB 3.39Å; F408-Q412 PolarHBondContact O-N 3.5Å; R409-Q412 PolarHBondContact O-N 3.26Å; K410-Q412 PolarHBondContact O-N 2.9Å; Q412-I414 VanDerWaalsContact C-N 3.3Å; Q412-I414 PolarHBondContact O-N 3.37Å; Q412-G415 PolarHBondContact O-N 2.98Å; Q412-G415 VanDerWaalsContact O-N 3.16Å
413Q85.3Confident90.5Very high169 Ų16950.3 Ų50.379%0.7927%0.271SS*.Hα-helixtrans-63.4-35.6174.1-69.4174.5-8.500112.6R409 K410 S411 G415R409-Q413 WeakPolarHBondContact O-CG 3.36Å; R409-Q413 PolarHBondContact O-N 3.45Å; R409-Q413 VanDerWaalsContact O-N 3.16Å; K410-Q413 PolarHBondContact O-N 3.46Å; S411-Q413 VanDerWaalsContact C-N 3.35Å; Q413-G415 VanDerWaalsContact C-N 3.29Å
414I85.7Confident90.3Very high136 Ų13649 Ų4970%0.69726%0.264SS*.Hα-helixtrans-79.9-14.5178-59.2164.2000111.3K410 S411 Q412 A416K410-I414 WeakPolarHBondContact O-CG1 3.47Å; K410-I414 PolarHBondContact O-N 3.39Å; S411-I414 PolarHBondContact O-N 2.97Å; Q412-I414 VanDerWaalsContact C-N 3.3Å; Q412-I414 PolarHBondContact O-N 3.37Å; I414-A416 HydrophobicContact CB-CB 4.47Å; I414-A416 HydrophobicContact CG2-CB 4.08Å; I414-A416 PolarHBondContact O-N 2.85Å
415G81Confident89.7Confident71 Ų7151.9 Ų51.973%0.73228%0.284SS*.THydrogen-bonded Turntrans69.215.8-173.300000113.5S411 Q412 Q413S411-G415 PolarHBondContact O-N 2.86Å; S411-G415 VanDerWaalsContact O-N 3.1Å; Q412-G415 PolarHBondContact O-N 2.98Å; Q412-G415 VanDerWaalsContact O-N 3.16Å; Q413-G415 VanDerWaalsContact C-N 3.29Å
416A81.3Confident89.3Confident37 Ų3753.9 Ų53.931%0.30629%0.292SS..  trans-89.6137.7-179.600000111S411 I414 T418S411-A416 PolarHBondContact O-N 3.32Å; S411-A416 VanDerWaalsContact O-N 3.17Å; S411-A416 PolarHBondContact OG-O 2.89Å; I414-A416 HydrophobicContact CB-CB 4.47Å; I414-A416 HydrophobicContact CG2-CB 4.08Å; I414-A416 PolarHBondContact O-N 2.85Å; A416-T418 PolarHBondContact O-N 3.33Å
417S86.4Confident89Confident89 Ų8952.9 Ų52.962%0.62228%0.283SS*.  trans-70.9128.8166-173.80000109.2R523S417-R523 PolarHBondContact O-NH1 3Å; S417-R523 PolarHBondContact O-NH2 2.59Å
418T90.5Very high88.6Confident12 Ų1252.7 Ų52.77%0.07428%0.283CS..  trans-130.5157.1177.3-168.50000112.4H407 F408 S411 A416 D498H407-T418 WeakPolarHBondContact NE2-CG2 3.2Å; H407-T418 PolarHBondContact NE2-OG1 3.27Å; F408-T418 HydrophobicContact CD1-CG2 3.53Å; F408-T418 HydrophobicContact CE1-CG2 3.55Å; S411-T418 VanDerWaalsContact CB-CG2 3.43Å; S411-T418 VanDerWaalsContact OG-CB 3.29Å; S411-T418 WeakPolarHBondContact OG-CB 3.48Å; S411-T418 WeakPolarHBondContact OG-CG2 3.3Å; A416-T418 PolarHBondContact O-N 3.33Å; T418-D498 WeakPolarHBondContact CA-OD2 3.28Å; T418-D498 VanDerWaalsContact CB-OD2 3.31Å; T418-D498 WeakPolarHBondContact CB-OD2 3.29Å; T418-D498 WeakPolarHBondContact OG1-CB 3.15Å; T418-D498 PolarHBondContact OG1-OD2 3.07Å
419R92.9Very high88.4Confident52 Ų5252.1 Ų52.120%0.19628%0.281CS..  trans-135144.7178.5-63.2177.7-167.7167.2-0.6111.4F474 Q475 N480 V497 D498 L499R419-F474 HydrophobicContact CB-CE1 4.44Å; R419-F474 HydrophobicContact CB-CE2 4.3Å; R419-F474 HydrophobicContact CB-CZ 3.76Å; R419-F474 HydrophobicContact CG-CZ 4.2Å; R419-Q475 PolarHBondContact NH1-O 3Å; R419-Q475 PolarHBondContact NH2-O 3.27Å; R419-N480 CarbonylContact C-O 3.49Å; R419-N480 WeakPolarHBondContact CA-O 3.38Å; R419-V497 HydrophobicContact CB-CB 4.5Å; R419-V497 HydrophobicContact CB-CG1 4.1Å; R419-D498 PolarHBondContact N-OD2 3.34Å; R419-D498 PolarHBondContact O-N 2.92Å; R419-L499 PolarHBondContact O-N 2.98Å
420V94.1Very high88.4Confident0 Ų048.2 Ų48.20%027%0.266CS..EExtended strand (participates in β ladder)trans-121.6139.8-177.6-176.40000110V404 F408 I422 N480 T481 L482 L499V404-V420 HydrophobicContact CG2-CG1 4.37Å; F408-V420 HydrophobicContact CD2-CG2 4.47Å; F408-V420 HydrophobicContact CE1-CG2 4.31Å; F408-V420 HydrophobicContact CE2-CB 4.41Å; F408-V420 HydrophobicContact CE2-CG2 3.63Å; F408-V420 HydrophobicContact CZ-CB 4.29Å; F408-V420 HydrophobicContact CZ-CG2 3.53Å; V420-I422 HydrophobicContact CG1-CG1 4.14Å; V420-N480 PolarHBondContact N-O 2.97Å; V420-T481 HydrophobicContact CB-CG2 4.21Å; V420-T481 HydrophobicContact CG1-CG2 4.38Å; V420-T481 CarbonylContact O-C 3.59Å; V420-T481 WeakPolarHBondContact O-CA 3.13Å; V420-L482 PolarHBondContact O-N 3.44Å; V420-L499 CarbonylContact C-O 3.29Å; V420-L499 WeakPolarHBondContact CA-O 3.18Å; V420-L499 HydrophobicContact CG1-CB 4.27Å; V420-L499 HydrophobicContact CG1-CD2 4.02Å; V420-L499 HydrophobicContact CG1-CG 4.1Å; V420-L499 HydrophobicContact CG2-CB 4.15Å; V420-L499 HydrophobicContact CG2-CD2 4.2Å
421M92.7Very high88.4Confident0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-123.3130.4170.1-167.6168.5-177.200110.8F423 L482 I494 V497 L499 I500 V501M421-F423 HydrophobicContact CB-CE2 4.44Å; M421-F423 HydrophobicContact CE-CD1 4.35Å; M421-F423 HydrophobicContact CE-CE1 3.38Å; M421-F423 HydrophobicContact CE-CE2 3.94Å; M421-F423 HydrophobicContact CE-CZ 3.14Å; M421-F423 HydrophobicContact CG-CD2 4.36Å; M421-F423 HydrophobicContact CG-CE2 3.75Å; M421-F423 HydrophobicContact CG-CZ 3.95Å; M421-F423 HydrophobicContact SD-CE1 4.28Å; M421-F423 HydrophobicContact SD-CE2 3.73Å; M421-F423 HydrophobicContact SD-CZ 3.43Å; M421-F423 WeakPolarHBondContact SD-CZ 2.84Å; M421-L482 CarbonylContact C-O 3.56Å; M421-L482 WeakPolarHBondContact CA-O 3.09Å; M421-L482 HydrophobicContact CE-CD2 4.1Å; M421-L482 HydrophobicContact CG-CB 4.46Å; M421-I494 HydrophobicContact CE-CD1 3.39Å; M421-I494 HydrophobicContact SD-CD1 3.96Å; M421-I494 HydrophobicContact SD-CG2 4.47Å; M421-V497 HydrophobicContact CB-CB 4.44Å; M421-V497 HydrophobicContact CB-CG1 4.17Å; M421-V497 HydrophobicContact CB-CG2 4.16Å; M421-L499 PolarHBondContact N-O 2.99Å; M421-I500 CarbonylContact O-C 3.55Å; M421-I500 VanDerWaalsContact O-CA 3.29Å; M421-I500 WeakPolarHBondContact O-CA 3.28Å; M421-V501 PolarHBondContact O-N 2.74Å
422I94.2Very high88.5Confident0 Ų044.2 Ų44.20%025%0.248CC..EExtended strand (participates in β ladder)trans-116.7127.9-178.2-58.8169.2000108.3L400 V404 V420 I433 L437 T481 L482 V483 S484 V501L400-I422 HydrophobicContact CD1-CD1 4.25Å; L400-I422 HydrophobicContact CD1-CG1 4.48Å; L400-I422 HydrophobicContact CD1-CG2 3.65Å; L400-I422 HydrophobicContact CD2-CD1 4.16Å; L400-I422 HydrophobicContact CG-CD1 4.46Å; V404-I422 HydrophobicContact CG2-CD1 4.04Å; V420-I422 HydrophobicContact CG1-CG1 4.14Å; I422-I433 HydrophobicContact CD1-CG2 4.19Å; I422-I433 HydrophobicContact CG2-CG2 4.44Å; I422-L437 HydrophobicContact CD1-CD1 3.54Å; I422-T481 HydrophobicContact CD1-CG2 3.83Å; I422-T481 HydrophobicContact CG1-CG2 4.41Å; I422-L482 PolarHBondContact N-O 2.93Å; I422-V483 HydrophobicContact CB-CG1 4.15Å; I422-V483 HydrophobicContact CB-CG2 4.47Å; I422-V483 HydrophobicContact CD1-CG2 4.27Å; I422-V483 HydrophobicContact CG2-CG1 4.11Å; I422-V483 CarbonylContact O-C 3.38Å; I422-V483 WeakPolarHBondContact O-CA 3.29Å; I422-S484 PolarHBondContact O-N 3.45Å; I422-V501 CarbonylContact C-O 3.6Å; I422-V501 WeakPolarHBondContact CA-O 3.38Å; I422-V501 HydrophobicContact CG1-CB 4.22Å
423F92.1Very high88.9Confident0 Ų037.8 Ų37.80%022%0.218CC..EExtended strand (participates in β ladder)trans-109.9130.8176.7-69.3-82.7000110.8M421 S484 E489 I500 V501 Y503 R515M421-F423 HydrophobicContact CB-CE2 4.44Å; M421-F423 HydrophobicContact CE-CD1 4.35Å; M421-F423 HydrophobicContact CE-CE1 3.38Å; M421-F423 HydrophobicContact CE-CE2 3.94Å; M421-F423 HydrophobicContact CE-CZ 3.14Å; M421-F423 HydrophobicContact CG-CD2 4.36Å; M421-F423 HydrophobicContact CG-CE2 3.75Å; M421-F423 HydrophobicContact CG-CZ 3.95Å; M421-F423 HydrophobicContact SD-CE1 4.28Å; M421-F423 HydrophobicContact SD-CE2 3.73Å; M421-F423 HydrophobicContact SD-CZ 3.43Å; M421-F423 WeakPolarHBondContact SD-CZ 2.84Å; F423-S484 WeakPolarHBondContact CA-O 3.26Å; F423-E489 HydrophobicContact CD1-CG 3.97Å; F423-E489 HydrophobicContact CE1-CG 3.67Å; F423-E489 HydrophobicContact CZ-CG 4.45Å; F423-I500 HydrophobicContact CD2-CG2 3.79Å; F423-I500 HydrophobicContact CE2-CG2 3.8Å; F423-V501 PolarHBondContact N-O 3.48Å; F423-Y503 VanDerWaalsContact O-CB 3.25Å; F423-Y503 WeakPolarHBondContact O-CB 3.37Å; F423-Y503 PolarHBondContact O-N 3.37Å; F423-R515 HydrophobicContact CD1-CG 4.43Å; F423-R515 HydrophobicContact CD2-CG 3.92Å; F423-R515 HydrophobicContact CE1-CG 4.26Å; F423-R515 HydrophobicContact CE2-CB 4.13Å; F423-R515 HydrophobicContact CE2-CG 3.74Å; F423-R515 HydrophobicContact CG-CG 4.25Å; F423-R515 HydrophobicContact CZ-CG 3.9Å
424S90.8Very high89.3Confident0 Ų030.2 Ų30.20%018%0.184CC..  trans-139130.1168.9164.30000109.5Y426 S429 S484 T485 D504S424-Y426 PolarHBondContact O-N 2.93Å; S424-Y426 PolarHBondContact OG-N 3.08Å; S424-Y426 PolarHBondContact OG-O 3.29Å; S424-S429 WeakPolarHBondContact OG-CB 3.29Å; S424-S484 PolarHBondContact N-O 3.38Å; S424-T485 VanDerWaalsContact O-CA 3.25Å; S424-T485 WeakPolarHBondContact O-CA 3.46Å; S424-D504 WeakPolarHBondContact CA-OD1 3.29Å
425S84.9Confident89.6Confident59 Ų5927.5 Ų27.541%0.41317%0.169SC..SBendtrans-65.3-26.6179.371.90000113.1D504S425-D504 WeakPolarHBondContact CA-OD2 3.41Å; S425-D504 WeakPolarHBondContact CB-OD2 3.49Å; S425-D504 PolarHBondContact N-OD1 3.41Å; S425-D504 VanDerWaalsContact N-OD1 3.14Å; S425-D504 PolarHBondContact N-OD2 3.08Å; S425-D504 PolarHBondContact OG-OD2 3.28Å
426Y85.9Confident90.2Very high44 Ų4424.9 Ų24.917%0.17314%0.137CC..SBendtrans-95.9133.2-178.2-157.4-116.5000112.9L306 H310 S424 D428 V430L306-Y426 HydrophobicContact CD1-CE1 4.46Å; L306-Y426 HydrophobicContact CD2-CD1 4.13Å; L306-Y426 HydrophobicContact CD2-CD2 3.88Å; L306-Y426 HydrophobicContact CD2-CE1 3.9Å; L306-Y426 HydrophobicContact CD2-CE2 3.63Å; L306-Y426 HydrophobicContact CD2-CG 4.15Å; H310-Y426 HydrophobicContact CB-CD1 4.44Å; H310-Y426 WeakPolarHBondContact CE1-CB 3.35Å; H310-Y426 WeakPolarHBondContact ND1-CB 3.16Å; S424-Y426 PolarHBondContact O-N 2.93Å; S424-Y426 PolarHBondContact OG-N 3.08Å; S424-Y426 PolarHBondContact OG-O 3.29Å; Y426-D428 HydrophobicContact CD1-CB 3.86Å; Y426-D428 HydrophobicContact CE1-CB 3.65Å; Y426-D428 WeakPolarHBondContact CE1-OD2 3.45Å; Y426-V430 PolarHBondContact O-N 3Å
427R86.5Confident90.8Very high50 Ų5023.1 Ų23.119%0.18912%0.123CC..Hα-helixtrans-67.2-41.2-174-178.8176.8-178.8122.24112.6S429 V430 I431 L450 G451 N460R427-S429 VanDerWaalsContact C-N 3.34Å; R427-V430 WeakPolarHBondContact O-CB 3.45Å; R427-V430 PolarHBondContact O-N 2.83Å; R427-I431 HydrophobicContact CG-CD1 4.17Å; R427-I431 WeakPolarHBondContact O-CG1 3.36Å; R427-I431 PolarHBondContact O-N 3.26Å; R427-I431 VanDerWaalsContact O-N 3.09Å; R427-L450 HydrophobicContact CG-CD1 4.08Å; R427-L450 HydrophobicContact CG-CD2 4.05Å; R427-G451 PolarHBondContact NH1-O 2.9Å; R427-N460 PolarHBondContact NH2-O 3.42Å
428D85.7Confident91.1Very high34 Ų3422.3 Ų22.318%0.18211%0.112CC..Hα-helixtrans-66.7-39.7-178.7-65.3-23.9000111Y426 V430 I431 E432Y426-D428 HydrophobicContact CD1-CB 3.86Å; Y426-D428 HydrophobicContact CE1-CB 3.65Å; Y426-D428 WeakPolarHBondContact CE1-OD2 3.45Å; D428-V430 VanDerWaalsContact C-N 3.3Å; D428-V430 PolarHBondContact O-N 3.3Å; D428-I431 WeakPolarHBondContact O-CB 3.49Å; D428-I431 PolarHBondContact O-N 3.27Å; D428-I431 VanDerWaalsContact O-N 3.1Å; D428-E432 WeakPolarHBondContact O-CB 3.42Å; D428-E432 PolarHBondContact O-N 3.42Å
429S89.7Confident91.2Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-61-38.7173.4-50.20000111.9H310 S314 S424 R427 I431 E432 I433H310-S429 WeakPolarHBondContact CB-OG 3.38Å; H310-S429 PolarHBondContact ND1-OG 2.93Å; S314-S429 PolarHBondContact OG-OG 2.79Å; S424-S429 WeakPolarHBondContact OG-CB 3.29Å; R427-S429 VanDerWaalsContact C-N 3.34Å; S429-I431 VanDerWaalsContact C-N 3.32Å; S429-I431 PolarHBondContact O-N 3.07Å; S429-E432 PolarHBondContact O-N 3.28Å; S429-I433 VanDerWaalsContact O-CB 3.25Å; S429-I433 WeakPolarHBondContact O-CB 3.37Å; S429-I433 WeakPolarHBondContact O-CD1 3.38Å; S429-I433 WeakPolarHBondContact O-CG1 3.3Å; S429-I433 PolarHBondContact O-N 3.44Å
430V91.2Very high91.1Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-62.8-40.4174.5169.50000111.7Y426 R427 D428 A434 K448 L450 V483 T485Y426-V430 PolarHBondContact O-N 3Å; R427-V430 WeakPolarHBondContact O-CB 3.45Å; R427-V430 PolarHBondContact O-N 2.83Å; D428-V430 VanDerWaalsContact C-N 3.3Å; D428-V430 PolarHBondContact O-N 3.3Å; V430-A434 VanDerWaalsContact O-CB 3.27Å; V430-A434 WeakPolarHBondContact O-CB 3.28Å; V430-A434 PolarHBondContact O-N 3.35Å; V430-A434 VanDerWaalsContact O-N 3.11Å; V430-K448 HydrophobicContact CG1-CB 4.22Å; V430-L450 HydrophobicContact CB-CD2 3.9Å; V430-L450 HydrophobicContact CG1-CD2 3.47Å; V430-L450 VanDerWaalsContact CG1-CD2 3.47Å; V430-L450 HydrophobicContact CG1-CG 4.23Å; V430-L450 HydrophobicContact CG2-CD2 4.43Å; V430-V483 HydrophobicContact CB-CG1 4.22Å; V430-V483 HydrophobicContact CG1-CB 4.14Å; V430-V483 HydrophobicContact CG1-CG1 3.8Å; V430-V483 WeakPolarHBondContact CG1-O 3.09Å; V430-V483 HydrophobicContact CG2-CG1 4.3Å; V430-T485 HydrophobicContact CG2-CG2 3.78Å
431I90.5Very high90.9Very high20 Ų2025.8 Ų25.810%0.10313%0.127CC..Hα-helixtrans-65.5-49.7178.1-66.2165.9000109.7R427 D428 S429 A434 E435 K448 L450R427-I431 HydrophobicContact CG-CD1 4.17Å; R427-I431 WeakPolarHBondContact O-CG1 3.36Å; R427-I431 PolarHBondContact O-N 3.26Å; R427-I431 VanDerWaalsContact O-N 3.09Å; D428-I431 WeakPolarHBondContact O-CB 3.49Å; D428-I431 PolarHBondContact O-N 3.27Å; D428-I431 VanDerWaalsContact O-N 3.1Å; S429-I431 VanDerWaalsContact C-N 3.32Å; S429-I431 PolarHBondContact O-N 3.07Å; I431-A434 PolarHBondContact O-N 3.03Å; I431-E435 HydrophobicContact CG2-CG 4.48Å; I431-E435 WeakPolarHBondContact CG2-OE1 3.42Å; I431-E435 WeakPolarHBondContact O-CG 3.35Å; I431-E435 PolarHBondContact O-N 2.93Å; I431-K448 HydrophobicContact CG1-CD 4.48Å; I431-L450 HydrophobicContact CD1-CD1 4.31Å; I431-L450 HydrophobicContact CG1-CD1 3.98Å
432E91.2Very high90.6Very high19 Ų1929.3 Ų29.39%0.08915%0.15CC..Hα-helixtrans-63.6-46.3-178.4-178.2168.7-15500112.3K313 S393 M397 D428 S429 A434 E435 L436K313-E432 WeakPolarHBondContact CB-OE1 3.5Å; K313-E432 WeakPolarHBondContact CB-OE2 3.49Å; S393-E432 WeakPolarHBondContact CB-OE1 3.49Å; S393-E432 PolarHBondContact OG-OE1 3.16Å; M397-E432 HydrophobicContact CE-CB 4.17Å; M397-E432 HydrophobicContact CE-CG 3.75Å; M397-E432 WeakPolarHBondContact CE-OE2 3.48Å; M397-E432 HydrophobicContact SD-CG 3.82Å; D428-E432 WeakPolarHBondContact O-CB 3.42Å; D428-E432 PolarHBondContact O-N 3.42Å; S429-E432 PolarHBondContact O-N 3.28Å; E432-A434 VanDerWaalsContact C-N 3.3Å; E432-A434 PolarHBondContact O-N 3.05Å; E432-E435 PolarHBondContact O-N 2.89Å; E432-L436 HydrophobicContact CG-CD1 4.06Å; E432-L436 HydrophobicContact CG-CG 4.5Å; E432-L436 WeakPolarHBondContact O-CB 3.17Å; E432-L436 WeakPolarHBondContact O-CG 3.42Å; E432-L436 PolarHBondContact O-N 3.25Å
433I93.7Very high90.4Very high2 Ų230.8 Ų30.81%0.0116%0.158CC..Hα-helixtrans-58.5-44.7175.1-69.7163.8000110.3M397 L400 I422 S429 E435 L436 L437 V483 Y503M397-I433 HydrophobicContact CE-CG1 4.39Å; L400-I433 HydrophobicContact CD2-CG1 4.46Å; L400-I433 HydrophobicContact CD2-CG2 3.67Å; I422-I433 HydrophobicContact CD1-CG2 4.19Å; I422-I433 HydrophobicContact CG2-CG2 4.44Å; S429-I433 VanDerWaalsContact O-CB 3.25Å; S429-I433 WeakPolarHBondContact O-CB 3.37Å; S429-I433 WeakPolarHBondContact O-CD1 3.38Å; S429-I433 WeakPolarHBondContact O-CG1 3.3Å; S429-I433 PolarHBondContact O-N 3.44Å; I433-E435 VanDerWaalsContact C-N 3.34Å; I433-E435 PolarHBondContact O-N 3.07Å; I433-L436 PolarHBondContact O-N 3.4Å; I433-L437 HydrophobicContact CG2-CD1 3.74Å; I433-L437 HydrophobicContact CG2-CG 4.28Å; I433-L437 WeakPolarHBondContact O-CB 3.24Å; I433-L437 VanDerWaalsContact O-CG 3.25Å; I433-L437 WeakPolarHBondContact O-CG 3.44Å; I433-L437 PolarHBondContact O-N 2.91Å; I433-V483 HydrophobicContact CB-CG1 4.07Å; I433-V483 HydrophobicContact CG2-CG1 3.8Å; I433-V483 HydrophobicContact CG2-CG2 4.12Å; I433-Y503 HydrophobicContact CD1-CD1 4.4Å; I433-Y503 HydrophobicContact CD1-CD2 3.81Å; I433-Y503 HydrophobicContact CD1-CE2 4.1Å; I433-Y503 HydrophobicContact CD1-CG 3.96Å
434A93.9Very high90.5Very high10 Ų1030.8 Ų30.88%0.08316%0.158CC..Hα-helixtrans-64.8-38.4178.800000112.2V430 I431 E432 N438 P446 K448 V483V430-A434 VanDerWaalsContact O-CB 3.27Å; V430-A434 WeakPolarHBondContact O-CB 3.28Å; V430-A434 PolarHBondContact O-N 3.35Å; V430-A434 VanDerWaalsContact O-N 3.11Å; I431-A434 PolarHBondContact O-N 3.03Å; E432-A434 VanDerWaalsContact C-N 3.3Å; E432-A434 PolarHBondContact O-N 3.05Å; A434-N438 VanDerWaalsContact O-CB 3.24Å; A434-N438 WeakPolarHBondContact O-CB 3.41Å; A434-N438 PolarHBondContact O-N 3.2Å; A434-P446 WeakPolarHBondContact O-CG 3.49Å; A434-K448 HydrophobicContact CB-CB 4.09Å; A434-V483 HydrophobicContact CB-CB 4.45Å; A434-V483 HydrophobicContact CB-CG2 4.2Å
435E92.5Very high90.7Very high79 Ų7934.8 Ų34.837%0.36917%0.173SC..Hα-helixtrans-67.3-46.9177-74.8173.1178.200111.7I431 E432 I433 N438 T439I431-E435 HydrophobicContact CG2-CG 4.48Å; I431-E435 WeakPolarHBondContact CG2-OE1 3.42Å; I431-E435 WeakPolarHBondContact O-CG 3.35Å; I431-E435 PolarHBondContact O-N 2.93Å; E432-E435 PolarHBondContact O-N 2.89Å; I433-E435 VanDerWaalsContact C-N 3.34Å; I433-E435 PolarHBondContact O-N 3.07Å; E435-N438 PolarHBondContact O-N 3.43Å; E435-T439 PolarHBondContact O-N 3.06Å
436L92.6Very high91.1Very high15 Ų1532.3 Ų32.38%0.07916%0.155CC..Hα-helixtrans-60.4-48.5176-71.5171.3000111.2T386 M389 A390 M397 I401 E432 I433 N438 T439T386-L436 HydrophobicContact CG2-CB 4.38Å; T386-L436 HydrophobicContact CG2-CD2 4.48Å; T386-L436 WeakPolarHBondContact CG2-O 3.35Å; M389-L436 HydrophobicContact CB-CD2 3.78Å; A390-L436 HydrophobicContact CB-CD1 4.1Å; M397-L436 HydrophobicContact CB-CD1 4.42Å; M397-L436 HydrophobicContact SD-CD1 3.67Å; I401-L436 HydrophobicContact CD1-CB 4.08Å; I401-L436 HydrophobicContact CD1-CD1 4.24Å; E432-L436 HydrophobicContact CG-CD1 4.06Å; E432-L436 HydrophobicContact CG-CG 4.5Å; E432-L436 WeakPolarHBondContact O-CB 3.17Å; E432-L436 WeakPolarHBondContact O-CG 3.42Å; E432-L436 PolarHBondContact O-N 3.25Å; I433-L436 PolarHBondContact O-N 3.4Å; L436-N438 PolarHBondContact O-N 3.13Å; L436-T439 WeakPolarHBondContact O-CB 3.5Å; L436-T439 PolarHBondContact O-N 3.35Å; L436-T439 PolarHBondContact O-OG1 3.32Å
437L94.8Very high91.5Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-65.3-27.8178.1-69.9176000112.7L400 I401 V404 I422 I433 T439 L440 V444 P446 T481 V483L400-L437 HydrophobicContact CD2-CD1 4.43Å; I401-L437 HydrophobicContact CG1-CD2 4.07Å; V404-L437 HydrophobicContact CB-CD2 4.41Å; V404-L437 HydrophobicContact CG1-CD2 4.17Å; I422-L437 HydrophobicContact CD1-CD1 3.54Å; I433-L437 HydrophobicContact CG2-CD1 3.74Å; I433-L437 HydrophobicContact CG2-CG 4.28Å; I433-L437 WeakPolarHBondContact O-CB 3.24Å; I433-L437 VanDerWaalsContact O-CG 3.25Å; I433-L437 WeakPolarHBondContact O-CG 3.44Å; I433-L437 PolarHBondContact O-N 2.91Å; L437-T439 PolarHBondContact O-N 3.47Å; L437-L440 HydrophobicContact CD2-CD1 4.27Å; L437-L440 WeakPolarHBondContact O-CB 3.28Å; L437-L440 PolarHBondContact O-N 3.46Å; L437-L440 VanDerWaalsContact O-N 3.08Å; L437-V444 HydrophobicContact CB-CG1 4.11Å; L437-V444 HydrophobicContact CD2-CG1 4.36Å; L437-P446 HydrophobicContact CB-CB 3.95Å; L437-P446 HydrophobicContact CB-CG 3.79Å; L437-T481 HydrophobicContact CD1-CG2 4.08Å; L437-V483 HydrophobicContact CD1-CG2 4.31Å
438N93.5Very high91.7Very high73 Ų7331.4 Ų31.439%0.3916%0.155SC..Hα-helixtrans-70.4-22.4-179-170.672.5000112.1A434 E435 L436 L440 R441 P446A434-N438 VanDerWaalsContact O-CB 3.24Å; A434-N438 WeakPolarHBondContact O-CB 3.41Å; A434-N438 PolarHBondContact O-N 3.2Å; E435-N438 PolarHBondContact O-N 3.43Å; L436-N438 PolarHBondContact O-N 3.13Å; N438-L440 PolarHBondContact O-N 2.89Å; N438-R441 PolarHBondContact OD1-NE 2.96Å; N438-P446 HydrophobicContact CB-CG 3.81Å
439T91.5Very high91.7Very high32 Ų3229.8 Ų29.820%0.19615%0.146CC..THydrogen-bonded Turntrans-63-25.2171.467.70000111.9L382 T386 M389 E435 L436 L437 R441L382-T439 WeakPolarHBondContact CD2-O 3.48Å; L382-T439 WeakPolarHBondContact CG-O 3.44Å; T386-T439 VanDerWaalsContact CG2-OG1 3.28Å; T386-T439 WeakPolarHBondContact CG2-OG1 3.4Å; T386-T439 PolarHBondContact OG1-OG1 2.77Å; M389-T439 HydrophobicContact CE-CG2 4.09Å; E435-T439 PolarHBondContact O-N 3.06Å; L436-T439 WeakPolarHBondContact O-CB 3.5Å; L436-T439 PolarHBondContact O-N 3.35Å; L436-T439 PolarHBondContact O-OG1 3.32Å; L437-T439 PolarHBondContact O-N 3.47Å; T439-R441 VanDerWaalsContact C-N 3.29Å; T439-R441 PolarHBondContact O-N 3.4Å
440L91.3Very high91.3Very high0 Ų029.9 Ų29.90%015%0.146CC..THydrogen-bonded Turntrans-9020.8-175.1-55.6173.4000113.8F379 L382 F383 T386 I401 V405 L437 N438 L443 V444F379-L440 HydrophobicContact CE2-CB 4.28Å; F379-L440 HydrophobicContact CE2-CD2 4.44Å; F379-L440 HydrophobicContact CZ-CD2 4.31Å; L382-L440 HydrophobicContact CG-CD2 4.46Å; F383-L440 HydrophobicContact CB-CD2 4.36Å; F383-L440 HydrophobicContact CD2-CD2 4.26Å; T386-L440 HydrophobicContact CG2-CD1 4.42Å; T386-L440 HydrophobicContact CG2-CD2 4.27Å; T386-L440 HydrophobicContact CG2-CG 4.28Å; I401-L440 HydrophobicContact CG2-CD1 3.77Å; V405-L440 HydrophobicContact CG2-CD1 3.7Å; L437-L440 HydrophobicContact CD2-CD1 4.27Å; L437-L440 WeakPolarHBondContact O-CB 3.28Å; L437-L440 PolarHBondContact O-N 3.46Å; L437-L440 VanDerWaalsContact O-N 3.08Å; N438-L440 PolarHBondContact O-N 2.89Å; L440-L443 PolarHBondContact O-N 3.49Å; L440-V444 HydrophobicContact CB-CB 4.17Å; L440-V444 HydrophobicContact CB-CG2 4.11Å; L440-V444 HydrophobicContact CD1-CG2 4.48Å; L440-V444 PolarHBondContact O-N 3.39Å; L440-V444 VanDerWaalsContact O-N 3.1Å
441R89.4Confident90.3Very high104 Ų10430.4 Ų30.439%0.39215%0.152SC..THydrogen-bonded Turntrans-66.9143.4172.1-78.5-176.1179.4-130.2-1.2110.7N438 T439 V444N438-R441 PolarHBondContact OD1-NE 2.96Å; T439-R441 VanDerWaalsContact C-N 3.29Å; T439-R441 PolarHBondContact O-N 3.4Å; R441-V444 WeakPolarHBondContact CG-O 3.26Å
442P87.5Confident89Confident75 Ų7534.5 Ų34.549%0.48717%0.171SC..THydrogen-bonded Turncis-89.2-8.29.334-35.8000115.6V444P442-V444 PolarHBondContact O-N 3.13Å
443L90.2Very high87.1Confident30 Ų3036.9 Ų36.916%0.15719%0.189CC..THydrogen-bonded Turntrans-58.6-49.5-176-175.568.8000111.6F379 V405 F408 R409 L440 N480F379-L443 HydrophobicContact CE1-CD2 4.12Å; F379-L443 HydrophobicContact CE2-CB 3.75Å; F379-L443 HydrophobicContact CE2-CD2 3.73Å; F379-L443 HydrophobicContact CE2-CG 4.4Å; F379-L443 HydrophobicContact CZ-CB 4.3Å; F379-L443 HydrophobicContact CZ-CD2 3.38Å; F379-L443 HydrophobicContact CZ-CG 4.47Å; V405-L443 HydrophobicContact CG1-CD2 4.27Å; F408-L443 HydrophobicContact CB-CD1 3.9Å; F408-L443 HydrophobicContact CB-CD2 4.29Å; F408-L443 HydrophobicContact CB-CG 3.95Å; R409-L443 HydrophobicContact CG-CD2 4.41Å; L440-L443 PolarHBondContact O-N 3.49Å; L443-N480 PolarHBondContact O-ND2 3.46Å
444V93.2Very high84.7Confident0 Ų040.7 Ų40.70%023%0.228CC..  trans-108124.6177.6-168.80000109.2V404 F408 L437 L440 R441 P442 P446 T481V404-V444 HydrophobicContact CG1-CG1 4.23Å; V404-V444 HydrophobicContact CG1-CG2 4.16Å; F408-V444 HydrophobicContact CD2-CG2 3.9Å; F408-V444 HydrophobicContact CE2-CG1 4.23Å; F408-V444 HydrophobicContact CE2-CG2 4.22Å; L437-V444 HydrophobicContact CB-CG1 4.11Å; L437-V444 HydrophobicContact CD2-CG1 4.36Å; L440-V444 HydrophobicContact CB-CB 4.17Å; L440-V444 HydrophobicContact CB-CG2 4.11Å; L440-V444 HydrophobicContact CD1-CG2 4.48Å; L440-V444 PolarHBondContact O-N 3.39Å; L440-V444 VanDerWaalsContact O-N 3.1Å; R441-V444 WeakPolarHBondContact CG-O 3.26Å; P442-V444 PolarHBondContact O-N 3.13Å; V444-P446 WeakPolarHBondContact O-CD 3.44Å; V444-T481 WeakPolarHBondContact CG1-OG1 3.47Å
445R94.3Very high82.3Confident85 Ų8544.2 Ų44.232%0.32127%0.266SS..  trans-118.680.7178.3-63.2-179.5-68.8152.21.1108.2G477 G478 Y479 N480 T481R445-G477 PolarHBondContact NH1-O 3.38Å; R445-G477 PolarHBondContact NH2-O 3.13Å; R445-G478 PolarHBondContact NH1-O 3.49Å; R445-Y479 WeakPolarHBondContact O-CB 3.21Å; R445-N480 WeakPolarHBondContact CA-OD1 3.49Å; R445-N480 PolarHBondContact N-OD1 3.33Å; R445-N480 PolarHBondContact O-N 3.38Å; R445-N480 VanDerWaalsContact O-N 3.14Å; R445-N480 PolarHBondContact O-OD1 3.15Å; R445-T481 PolarHBondContact O-N 3.47Å
446P94.8Very high79.9Confident7 Ų747.3 Ų47.35%0.04527%0.274CS..EExtended strand (participates in β ladder)trans-82.2150.4-174.734.8-36000112A434 L437 N438 V444 T481A434-P446 WeakPolarHBondContact O-CG 3.49Å; L437-P446 HydrophobicContact CB-CB 3.95Å; L437-P446 HydrophobicContact CB-CG 3.79Å; N438-P446 HydrophobicContact CB-CG 3.81Å; V444-P446 WeakPolarHBondContact O-CD 3.44Å; P446-T481 CarbonylContact C-O 3.59Å; P446-T481 VanDerWaalsContact CA-O 3.25Å; P446-T481 WeakPolarHBondContact CA-O 3.5Å
447M92.7Very high77.4Confident31 Ų3156.5 Ų56.515%0.15331%0.314CS..EExtended strand (participates in β ladder)trans-135.9135.2167.6-175.459.2-14400110.6L462 V470 Y479 T481 L482 V483M447-L462 HydrophobicContact CE-CD1 4.43Å; M447-L462 HydrophobicContact CE-CD2 4.35Å; M447-V470 HydrophobicContact CB-CG1 4.49Å; M447-V470 HydrophobicContact CE-CG2 4.24Å; M447-V470 HydrophobicContact CG-CG1 3.61Å; M447-V470 HydrophobicContact CG-CG2 4.19Å; M447-Y479 HydrophobicContact CB-CD1 3.79Å; M447-Y479 HydrophobicContact CB-CD2 3.77Å; M447-Y479 HydrophobicContact CB-CE1 4.04Å; M447-Y479 HydrophobicContact CB-CE2 4.01Å; M447-Y479 HydrophobicContact CB-CG 3.68Å; M447-Y479 HydrophobicContact CG-CD2 4.12Å; M447-Y479 HydrophobicContact CG-CE1 4.46Å; M447-Y479 HydrophobicContact CG-CE2 3.92Å; M447-Y479 HydrophobicContact CG-CG 4.48Å; M447-Y479 HydrophobicContact SD-CE1 4.38Å; M447-Y479 HydrophobicContact SD-CE2 4.37Å; M447-T481 PolarHBondContact N-O 2.81Å; M447-L482 HydrophobicContact CB-CD1 4.33Å; M447-V483 PolarHBondContact O-N 2.88Å
448K91Very high75.2Confident44 Ų4458.8 Ų58.819%0.19133%0.33CS..EExtended strand (participates in β ladder)trans-81.4130.617662.7-171.3-179.3-168.20111.6V430 I431 A434 L450 N460 L462 V483V430-K448 HydrophobicContact CG1-CB 4.22Å; I431-K448 HydrophobicContact CG1-CD 4.48Å; A434-K448 HydrophobicContact CB-CB 4.09Å; K448-L450 HydrophobicContact CD-CD1 4.34Å; K448-N460 PolarHBondContact NZ-OD1 2.99Å; K448-L462 WeakPolarHBondContact O-CD1 3.45Å; K448-V483 CarbonylContact C-O 3.6Å; K448-V483 WeakPolarHBondContact CA-O 3.43Å
449F86.2Confident73.2Confident0 Ų060.9 Ų60.90%035%0.35CS..EExtended strand (participates in β ladder)trans-117.590.7177.9-166.1-103.8000110.4L462 Q467 V470 I471 L482 V483 S484 V487 L492F449-L462 HydrophobicContact CD2-CD1 4.42Å; F449-Q467 HydrophobicContact CE2-CB 3.64Å; F449-Q467 HydrophobicContact CE2-CG 3.83Å; F449-Q467 HydrophobicContact CZ-CB 3.97Å; F449-Q467 HydrophobicContact CZ-CG 4.1Å; F449-V470 HydrophobicContact CD2-CG1 4.13Å; F449-I471 HydrophobicContact CE2-CD1 4.05Å; F449-I471 HydrophobicContact CE2-CG1 3.98Å; F449-I471 HydrophobicContact CZ-CD1 3.92Å; F449-I471 HydrophobicContact CZ-CG1 4.31Å; F449-L482 HydrophobicContact CB-CD1 3.91Å; F449-L482 HydrophobicContact CB-CD2 4.19Å; F449-L482 HydrophobicContact CB-CG 3.97Å; F449-L482 HydrophobicContact CG-CD2 4.38Å; F449-V483 PolarHBondContact N-O 2.91Å; F449-S484 WeakPolarHBondContact CD1-OG 3.41Å; F449-S484 WeakPolarHBondContact O-CA 3.48Å; F449-S484 PolarHBondContact O-OG 2.86Å; F449-V487 HydrophobicContact CE1-CG1 4.01Å; F449-L492 HydrophobicContact CE1-CD1 3.83Å; F449-L492 HydrophobicContact CZ-CD1 3.77Å
450L82.1Confident71.5Confident1 Ų161.7 Ų61.71%0.00535%0.353CS..  trans-109.4144.8-176.1-61176.5000111.3R427 V430 I431 K448 N460 Q467 T485R427-L450 HydrophobicContact CG-CD1 4.08Å; R427-L450 HydrophobicContact CG-CD2 4.05Å; V430-L450 HydrophobicContact CB-CD2 3.9Å; V430-L450 HydrophobicContact CG1-CD2 3.47Å; V430-L450 VanDerWaalsContact CG1-CD2 3.47Å; V430-L450 HydrophobicContact CG1-CG 4.23Å; V430-L450 HydrophobicContact CG2-CD2 4.43Å; I431-L450 HydrophobicContact CD1-CD1 4.31Å; I431-L450 HydrophobicContact CG1-CD1 3.98Å; K448-L450 HydrophobicContact CD-CD1 4.34Å; L450-N460 HydrophobicContact CD1-CB 4.43Å; L450-Q467 PolarHBondContact O-NE2 3.33Å; L450-T485 HydrophobicContact CD2-CG2 3.72Å
451G69Low69.8Low12 Ų1263.2 Ų63.212%0.12436%0.363CS..PPolyproline II helixtrans-71.4169.1172.300000114.5R427R427-G451 PolarHBondContact NH1-O 2.9Å
452Q63.6Low68.6Low105 Ų10558.6 Ų58.649%0.49135%0.347SS..PPolyproline II helixtrans-80.9120.8170.8-61.2-174.4-33.700109.2L462Q452-L462 WeakPolarHBondContact CG-O 3.4Å; Q452-L462 PolarHBondContact NE2-O 2.8Å
453C51.1Low67.7Low70 Ų7058 Ų5847%0.47334%0.344SS..PPolyproline II helixtrans-77.7128.1165.1-73.80000107.4G455C453-G455 PolarHBondContact O-N 3.49Å; C453-G455 VanDerWaalsContact O-N 3.16Å
454G44.2Very low66.7Low81 Ų8159.7 Ų59.784%0.83535%0.351SS*.SBendtrans-48.4122.4178.800000111.6R456G454-R456 VanDerWaalsContact C-N 3.28Å; G454-R456 PolarHBondContact O-N 3.29Å
455G42.4Very low65.7Low85 Ų8568.2 Ų68.288%0.87639%0.388SS*.SBendtrans78.5-34.6171.400000117.3C453 K457C453-G455 PolarHBondContact O-N 3.49Å; C453-G455 VanDerWaalsContact O-N 3.16Å; G455-K457 PolarHBondContact O-N 3.34Å
456R42.3Very low65Low144 Ų14469.7 Ų69.754%0.54340%0.397SS..  trans-87.6107.6-178.7-73.8-174.2174.2130.720.2111.2E327 G454 S458E327-R456 IonicContact OE1-CZ 3.11Å; E327-R456 VanDerWaalsContact OE1-CZ 3.31Å; E327-R456 IonicContact OE1-NE 3.23Å; E327-R456 IonicContact OE1-NH2 3.76Å; E327-R456 PolarHBondContact OE1-NH2 3.25Å; E327-R456 IonicContact OE2-CZ 2.7Å; E327-R456 IonicContact OE2-NH1 3.89Å; E327-R456 PolarHBondContact OE2-NH1 3.15Å; E327-R456 IonicContact OE2-NH2 3.9Å; E327-R456 PolarHBondContact OE2-NH2 2.94Å; G454-R456 VanDerWaalsContact C-N 3.28Å; G454-R456 PolarHBondContact O-N 3.29Å; R456-S458 PolarHBondContact O-N 2.82Å
457K40.5Very low64.1Low208 Ų20869.9 Ų69.990%0.90440%0.398SS*.  trans-63.870162.2-70-177.2-179.7175.80109.7G455 S459G455-K457 PolarHBondContact O-N 3.34Å; K457-S459 PolarHBondContact O-N 2.9Å
458S47.6Very low63.4Low48 Ų4871.5 Ų71.534%0.33641%0.406SS..  trans-66.1131.5163.5176.10000106.9R456 N460 S461R456-S458 PolarHBondContact O-N 2.82Å; S458-N460 PolarHBondContact O-N 2.71Å; S458-S461 WeakPolarHBondContact O-CB 3.34Å; S458-S461 PolarHBondContact O-N 3.14Å; S458-S461 PolarHBondContact O-OG 3.27Å
459S53.3Low63Low117 Ų11771.8 Ų71.882%0.81842%0.417SS*.THydrogen-bonded Turntrans-50.3-24.4176.452.90000113.1K457K457-S459 PolarHBondContact O-N 2.9Å
460N55.9Low63Low48 Ų4872.1 Ų72.126%0.25742%0.419SS..THydrogen-bonded Turntrans-89.4-3.3179-71.2-31.2000114.7R427 K448 L450 S458R427-N460 PolarHBondContact NH2-O 3.42Å; K448-N460 PolarHBondContact NZ-OD1 2.99Å; L450-N460 HydrophobicContact CD1-CB 4.43Å; S458-N460 PolarHBondContact O-N 2.71Å
461S55Low63Low32 Ų3272.5 Ų72.522%0.22442%0.421CS..PPolyproline II helixtrans-85.3123.117663.50000110.3S458S458-S461 WeakPolarHBondContact O-CB 3.34Å; S458-S461 PolarHBondContact O-N 3.14Å; S458-S461 PolarHBondContact O-OG 3.27Å
462L63.9Low63.8Low8 Ų878.7 Ų78.74%0.04244%0.444CS..PPolyproline II helixtrans-79.6132.7179-62.2174.4000109.1M447 K448 F449 Q452 K466 Q467 V470M447-L462 HydrophobicContact CE-CD1 4.43Å; M447-L462 HydrophobicContact CE-CD2 4.35Å; K448-L462 WeakPolarHBondContact O-CD1 3.45Å; F449-L462 HydrophobicContact CD2-CD1 4.42Å; Q452-L462 WeakPolarHBondContact CG-O 3.4Å; Q452-L462 PolarHBondContact NE2-O 2.8Å; L462-K466 HydrophobicContact CB-CB 4.4Å; L462-K466 HydrophobicContact CD2-CD 3.5Å; L462-K466 VanDerWaalsContact CD2-CD 3.5Å; L462-K466 HydrophobicContact CD2-CG 3.84Å; L462-Q467 HydrophobicContact CB-CG 3.66Å; L462-Q467 HydrophobicContact CD1-CG 4.27Å; L462-V470 HydrophobicContact CD1-CG2 4.24Å
463S69.1Low65Low62 Ų6277.5 Ų77.543%0.43444%0.439SS..PPolyproline II helixtrans-62.4153.7165.571.80000109.5K465 K466 Q467S463-K465 VanDerWaalsContact C-N 3.27Å; S463-K465 PolarHBondContact O-N 2.88Å; S463-K466 CarbonylContact O-C 3.55Å; S463-K466 WeakPolarHBondContact O-CA 3.18Å; S463-K466 WeakPolarHBondContact O-CB 3.38Å; S463-K466 PolarHBondContact O-N 2.79Å; S463-K466 VanDerWaalsContact OG-CB 3.31Å; S463-K466 WeakPolarHBondContact OG-CB 3.38Å; S463-K466 PolarHBondContact OG-N 2.87Å; S463-Q467 PolarHBondContact O-N 2.8Å
464Q68.2Low66.8Low65 Ų6574.2 Ų74.230%0.30442%0.417SS..Hα-helixtrans-56.8-41.3179.5-69.5177.9-5.500112.3P77 K466 Q467 L468P77-Q464 HydrophobicContact CG-CG 4.46Å; Q464-K466 PolarHBondContact O-N 3.05Å; Q464-Q467 WeakPolarHBondContact O-CB 3.31Å; Q464-Q467 PolarHBondContact O-N 3.28Å; Q464-Q467 VanDerWaalsContact O-N 3.15Å; Q464-L468 PolarHBondContact O-N 2.91Å
465K72.1Confident68.8Low180 Ų18073.5 Ų73.578%0.78339%0.391SS*.Hα-helixtrans-58.7-38.5173.4-170.6176.5-179.4-179.80111.5S463 A469S463-K465 VanDerWaalsContact C-N 3.27Å; S463-K465 PolarHBondContact O-N 2.88Å; K465-A469 WeakPolarHBondContact O-CB 3.35Å; K465-A469 PolarHBondContact O-N 2.99Å; K465-A469 VanDerWaalsContact O-N 3.07Å
466K79.5Confident70.9Confident115 Ų11574.8 Ų74.850%0.539%0.386SS..Hα-helixtrans-73-34.5176.5-163.5173.8176.41760112.3L462 S463 Q464 A469 V470L462-K466 HydrophobicContact CB-CB 4.4Å; L462-K466 HydrophobicContact CD2-CD 3.5Å; L462-K466 VanDerWaalsContact CD2-CD 3.5Å; L462-K466 HydrophobicContact CD2-CG 3.84Å; S463-K466 CarbonylContact O-C 3.55Å; S463-K466 WeakPolarHBondContact O-CA 3.18Å; S463-K466 WeakPolarHBondContact O-CB 3.38Å; S463-K466 PolarHBondContact O-N 2.79Å; S463-K466 VanDerWaalsContact OG-CB 3.31Å; S463-K466 WeakPolarHBondContact OG-CB 3.38Å; S463-K466 PolarHBondContact OG-N 2.87Å; Q464-K466 PolarHBondContact O-N 3.05Å; K466-A469 PolarHBondContact O-N 2.94Å; K466-V470 VanDerWaalsContact O-CG2 3.28Å; K466-V470 WeakPolarHBondContact O-CG2 3.31Å; K466-V470 PolarHBondContact O-N 3.35Å
467Q77.2Confident72.9Confident12 Ų1269 Ų696%0.05637%0.371CS..Hα-helixtrans-62.3-47.7173.3-73.2-179.7-2100111.5F449 L450 L462 S463 Q464 A469 V470 I471F449-Q467 HydrophobicContact CE2-CB 3.64Å; F449-Q467 HydrophobicContact CE2-CG 3.83Å; F449-Q467 HydrophobicContact CZ-CB 3.97Å; F449-Q467 HydrophobicContact CZ-CG 4.1Å; L450-Q467 PolarHBondContact O-NE2 3.33Å; L462-Q467 HydrophobicContact CB-CG 3.66Å; L462-Q467 HydrophobicContact CD1-CG 4.27Å; S463-Q467 PolarHBondContact O-N 2.8Å; Q464-Q467 WeakPolarHBondContact O-CB 3.31Å; Q464-Q467 PolarHBondContact O-N 3.28Å; Q464-Q467 VanDerWaalsContact O-N 3.15Å; Q467-A469 VanDerWaalsContact C-N 3.31Å; Q467-A469 PolarHBondContact O-N 2.98Å; Q467-V470 PolarHBondContact O-N 2.74Å; Q467-I471 WeakPolarHBondContact O-CG1 3.43Å; Q467-I471 PolarHBondContact O-N 3.48Å
468L77.6Confident75.2Confident64 Ų6460.5 Ų60.534%0.33534%0.342SS..Hα-helixtrans-62.1-38.9175.1-72.4169.9000112Q464 I471 K472Q464-L468 PolarHBondContact O-N 2.91Å; L468-I471 PolarHBondContact O-N 2.85Å; L468-K472 WeakPolarHBondContact O-CG 3.39Å; L468-K472 PolarHBondContact O-N 3.34Å
469A83Confident77.4Confident51 Ų5160 Ų6042%0.42133%0.333SS..Hα-helixtrans-63-44.2174.900000111.9K465 K466 Q467 I471 K472 E473K465-A469 WeakPolarHBondContact O-CB 3.35Å; K465-A469 PolarHBondContact O-N 2.99Å; K465-A469 VanDerWaalsContact O-N 3.07Å; K466-A469 PolarHBondContact O-N 2.94Å; Q467-A469 VanDerWaalsContact C-N 3.31Å; Q467-A469 PolarHBondContact O-N 2.98Å; A469-I471 VanDerWaalsContact C-N 3.34Å; A469-I471 PolarHBondContact O-N 2.72Å; A469-K472 PolarHBondContact O-N 3.17Å; A469-E473 WeakPolarHBondContact O-CB 3.35Å; A469-E473 PolarHBondContact O-N 2.98Å
470V84.9Confident79.3Confident6 Ų655 Ų554%0.03630%0.298CS..Hα-helixtrans-61.3-41.9176166.30000111.4M447 F449 L462 K466 Q467 E473 F474 L482M447-V470 HydrophobicContact CB-CG1 4.49Å; M447-V470 HydrophobicContact CE-CG2 4.24Å; M447-V470 HydrophobicContact CG-CG1 3.61Å; M447-V470 HydrophobicContact CG-CG2 4.19Å; F449-V470 HydrophobicContact CD2-CG1 4.13Å; L462-V470 HydrophobicContact CD1-CG2 4.24Å; K466-V470 VanDerWaalsContact O-CG2 3.28Å; K466-V470 WeakPolarHBondContact O-CG2 3.31Å; K466-V470 PolarHBondContact O-N 3.35Å; Q467-V470 PolarHBondContact O-N 2.74Å; V470-E473 PolarHBondContact O-N 2.94Å; V470-F474 WeakPolarHBondContact O-CB 3.44Å; V470-F474 PolarHBondContact O-N 3.08Å; V470-L482 HydrophobicContact CG1-CD1 3.98Å
471I83.5Confident81.2Confident10 Ų1052.7 Ų52.75%0.05129%0.285CS..Hα-helixtrans-62.3-47.1176-69.6167.9000110.5F449 Q467 L468 A469 E473 F474 Q475 L492 D493F449-I471 HydrophobicContact CE2-CD1 4.05Å; F449-I471 HydrophobicContact CE2-CG1 3.98Å; F449-I471 HydrophobicContact CZ-CD1 3.92Å; F449-I471 HydrophobicContact CZ-CG1 4.31Å; Q467-I471 WeakPolarHBondContact O-CG1 3.43Å; Q467-I471 PolarHBondContact O-N 3.48Å; L468-I471 PolarHBondContact O-N 2.85Å; A469-I471 VanDerWaalsContact C-N 3.34Å; A469-I471 PolarHBondContact O-N 2.72Å; I471-E473 VanDerWaalsContact C-N 3.34Å; I471-E473 PolarHBondContact O-N 2.86Å; I471-F474 PolarHBondContact O-N 2.8Å; I471-Q475 HydrophobicContact CG2-CG 4.41Å; I471-Q475 WeakPolarHBondContact O-CB 3.42Å; I471-Q475 VanDerWaalsContact O-CG 3.3Å; I471-Q475 WeakPolarHBondContact O-CG 3.48Å; I471-Q475 PolarHBondContact O-N 3.35Å; I471-L492 HydrophobicContact CD1-CB 4.39Å; I471-L492 HydrophobicContact CD1-CD1 4.31Å; I471-L492 HydrophobicContact CD1-CD2 4.39Å; I471-D493 WeakPolarHBondContact CG2-O 3.47Å
472K84.9Confident83Confident141 Ų14151.2 Ų51.261%0.61328%0.275SS*.Hα-helixtrans-60.5-43.3176.5-74.6-175.7176.1-169.90111.8L468 A469 F474 Q475 C476L468-K472 WeakPolarHBondContact O-CG 3.39Å; L468-K472 PolarHBondContact O-N 3.34Å; A469-K472 PolarHBondContact O-N 3.17Å; K472-F474 PolarHBondContact O-N 2.73Å; K472-Q475 PolarHBondContact O-N 3.47Å; K472-C476 WeakPolarHBondContact O-CB 3.5Å; K472-C476 PolarHBondContact O-N 2.83Å; K472-C476 PolarHBondContact O-SG 2.95Å
473E88.7Confident84.5Confident81 Ų8150.8 Ų50.838%0.37927%0.273SS..Hα-helixtrans-66.1-38179.1-166.9175.4172.700112.1A469 V470 I471 C476 G477 G478 Y479A469-E473 WeakPolarHBondContact O-CB 3.35Å; A469-E473 PolarHBondContact O-N 2.98Å; V470-E473 PolarHBondContact O-N 2.94Å; I471-E473 VanDerWaalsContact C-N 3.34Å; I471-E473 PolarHBondContact O-N 2.86Å; E473-C476 PolarHBondContact O-N 2.99Å; E473-G477 PolarHBondContact O-N 3.11Å; E473-G477 VanDerWaalsContact O-N 3.16Å; E473-G478 WeakPolarHBondContact O-CA 3.32Å; E473-G478 PolarHBondContact O-N 2.91Å; E473-Y479 HydrophobicContact CB-CD2 4.11Å; E473-Y479 HydrophobicContact CB-CE2 3.96Å; E473-Y479 HydrophobicContact CG-CD2 3.85Å; E473-Y479 HydrophobicContact CG-CE2 3.57Å; E473-Y479 WeakPolarHBondContact OE1-CE2 3.41Å; E473-Y479 VanDerWaalsContact OE1-CZ 3.29Å; E473-Y479 PolarHBondContact OE1-OH 3.41Å; E473-Y479 VanDerWaalsContact OE1-OH 3.07Å; E473-Y479 WeakPolarHBondContact OE2-CE2 3.44Å; E473-Y479 PolarHBondContact OE2-OH 3.12Å
474F89.3Confident85.5Confident0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-64-43.3170.9-178.8-103.9000111.7R419 V470 I471 K472 C476 G477 L482 I494 V497R419-F474 HydrophobicContact CB-CE1 4.44Å; R419-F474 HydrophobicContact CB-CE2 4.3Å; R419-F474 HydrophobicContact CB-CZ 3.76Å; R419-F474 HydrophobicContact CG-CZ 4.2Å; V470-F474 WeakPolarHBondContact O-CB 3.44Å; V470-F474 PolarHBondContact O-N 3.08Å; I471-F474 PolarHBondContact O-N 2.8Å; K472-F474 PolarHBondContact O-N 2.73Å; F474-C476 VanDerWaalsContact C-N 3.35Å; F474-C476 PolarHBondContact O-N 3.18Å; F474-G477 PolarHBondContact O-N 3.22Å; F474-G477 VanDerWaalsContact O-N 3.12Å; F474-L482 HydrophobicContact CD2-CB 4.19Å; F474-L482 HydrophobicContact CE2-CB 3.9Å; F474-L482 HydrophobicContact CZ-CB 4.18Å; F474-I494 HydrophobicContact CD1-CG2 3.76Å; F474-I494 WeakPolarHBondContact CD1-O 3.4Å; F474-I494 HydrophobicContact CE1-CG2 3.68Å; F474-V497 HydrophobicContact CE1-CG1 3.86Å; F474-V497 HydrophobicContact CZ-CG1 3.76Å
475Q85.6Confident86.4Confident66 Ų6645.6 Ų45.631%0.30824%0.243SC..Hα-helixtrans-65.5-34.7176.4-73.9176-18.200113.3R419 I471 K472 G477 D493 I494R419-Q475 PolarHBondContact NH1-O 3Å; R419-Q475 PolarHBondContact NH2-O 3.27Å; I471-Q475 HydrophobicContact CG2-CG 4.41Å; I471-Q475 WeakPolarHBondContact O-CB 3.42Å; I471-Q475 VanDerWaalsContact O-CG 3.3Å; I471-Q475 WeakPolarHBondContact O-CG 3.48Å; I471-Q475 PolarHBondContact O-N 3.35Å; K472-Q475 PolarHBondContact O-N 3.47Å; Q475-G477 PolarHBondContact O-N 3.24Å; Q475-D493 PolarHBondContact NE2-O 3.25Å; Q475-I494 WeakPolarHBondContact CG-O 3.44Å
476C87Confident86.5Confident112 Ų11238.6 Ų38.676%0.75722%0.216SC*.THydrogen-bonded Turntrans-79.9-2.9174.6-65.60000113.1K472 E473 F474K472-C476 WeakPolarHBondContact O-CB 3.5Å; K472-C476 PolarHBondContact O-N 2.83Å; K472-C476 PolarHBondContact O-SG 2.95Å; E473-C476 PolarHBondContact O-N 2.99Å; F474-C476 VanDerWaalsContact C-N 3.35Å; F474-C476 PolarHBondContact O-N 3.18Å
477G85.2Confident86.1Confident22 Ų2234.8 Ų34.823%0.22720%0.202CC..THydrogen-bonded Turntrans79.118178.700000114.9R445 E473 F474 Q475 Y479R445-G477 PolarHBondContact NH1-O 3.38Å; R445-G477 PolarHBondContact NH2-O 3.13Å; E473-G477 PolarHBondContact O-N 3.11Å; E473-G477 VanDerWaalsContact O-N 3.16Å; F474-G477 PolarHBondContact O-N 3.22Å; F474-G477 VanDerWaalsContact O-N 3.12Å; Q475-G477 PolarHBondContact O-N 3.24Å; G477-Y479 VanDerWaalsContact C-N 3.28Å
478G88.3Confident85.4Confident30 Ų3034.2 Ų34.231%0.30920%0.2SC..SBendtrans-65.5-34.5167.900000112R445 E473R445-G478 PolarHBondContact NH1-O 3.49Å; E473-G478 WeakPolarHBondContact O-CA 3.32Å; E473-G478 PolarHBondContact O-N 2.91Å
479Y92.4Very high84.8Confident37 Ų3731.5 Ų31.515%0.14519%0.185CC..  trans-118.5150.1168-55.1-67.1000110.5R445 M447 E473 G477R445-Y479 WeakPolarHBondContact O-CB 3.21Å; M447-Y479 HydrophobicContact CB-CD1 3.79Å; M447-Y479 HydrophobicContact CB-CD2 3.77Å; M447-Y479 HydrophobicContact CB-CE1 4.04Å; M447-Y479 HydrophobicContact CB-CE2 4.01Å; M447-Y479 HydrophobicContact CB-CG 3.68Å; M447-Y479 HydrophobicContact CG-CD2 4.12Å; M447-Y479 HydrophobicContact CG-CE1 4.46Å; M447-Y479 HydrophobicContact CG-CE2 3.92Å; M447-Y479 HydrophobicContact CG-CG 4.48Å; M447-Y479 HydrophobicContact SD-CE1 4.38Å; M447-Y479 HydrophobicContact SD-CE2 4.37Å; E473-Y479 HydrophobicContact CB-CD2 4.11Å; E473-Y479 HydrophobicContact CB-CE2 3.96Å; E473-Y479 HydrophobicContact CG-CD2 3.85Å; E473-Y479 HydrophobicContact CG-CE2 3.57Å; E473-Y479 WeakPolarHBondContact OE1-CE2 3.41Å; E473-Y479 VanDerWaalsContact OE1-CZ 3.29Å; E473-Y479 PolarHBondContact OE1-OH 3.41Å; E473-Y479 VanDerWaalsContact OE1-OH 3.07Å; E473-Y479 WeakPolarHBondContact OE2-CE2 3.44Å; E473-Y479 PolarHBondContact OE2-OH 3.12Å; G477-Y479 VanDerWaalsContact C-N 3.28Å
480N93.7Very high84Confident13 Ų1331 Ų317%0.0717%0.174CC..SBendtrans-114.9-10.5173.965.88.2000113.1F408 R419 V420 L443 R445F408-N480 HydrophobicContact CE1-CB 3.85Å; F408-N480 WeakPolarHBondContact CE1-ND2 3.3Å; F408-N480 HydrophobicContact CZ-CB 3.86Å; R419-N480 CarbonylContact C-O 3.49Å; R419-N480 WeakPolarHBondContact CA-O 3.38Å; V420-N480 PolarHBondContact N-O 2.97Å; L443-N480 PolarHBondContact O-ND2 3.46Å; R445-N480 WeakPolarHBondContact CA-OD1 3.49Å; R445-N480 PolarHBondContact N-OD1 3.33Å; R445-N480 PolarHBondContact O-N 3.38Å; R445-N480 VanDerWaalsContact O-N 3.14Å; R445-N480 PolarHBondContact O-OD1 3.15Å
481T95.7Very high82.8Confident0 Ų031.3 Ų31.30%018%0.178CC..EExtended strand (participates in β ladder)trans-131.3125.8179.5-55.10000110.6F408 V420 I422 L437 V444 R445 P446 M447 V483F408-T481 VanDerWaalsContact CE2-OG1 3.3Å; F408-T481 WeakPolarHBondContact CE2-OG1 3.3Å; F408-T481 WeakPolarHBondContact CZ-OG1 3.49Å; V420-T481 HydrophobicContact CB-CG2 4.21Å; V420-T481 HydrophobicContact CG1-CG2 4.38Å; V420-T481 CarbonylContact O-C 3.59Å; V420-T481 WeakPolarHBondContact O-CA 3.13Å; I422-T481 HydrophobicContact CD1-CG2 3.83Å; I422-T481 HydrophobicContact CG1-CG2 4.41Å; L437-T481 HydrophobicContact CD1-CG2 4.08Å; V444-T481 WeakPolarHBondContact CG1-OG1 3.47Å; R445-T481 PolarHBondContact O-N 3.47Å; P446-T481 CarbonylContact C-O 3.59Å; P446-T481 VanDerWaalsContact CA-O 3.25Å; P446-T481 WeakPolarHBondContact CA-O 3.5Å; M447-T481 PolarHBondContact N-O 2.81Å; T481-V483 HydrophobicContact CG2-CG2 4.43Å
482L93.9Very high82.1Confident0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-112121.9176.2-164.373.2000109.9V420 M421 I422 M447 F449 V470 F474 I494V420-L482 PolarHBondContact O-N 3.44Å; M421-L482 CarbonylContact C-O 3.56Å; M421-L482 WeakPolarHBondContact CA-O 3.09Å; M421-L482 HydrophobicContact CE-CD2 4.1Å; M421-L482 HydrophobicContact CG-CB 4.46Å; I422-L482 PolarHBondContact N-O 2.93Å; M447-L482 HydrophobicContact CB-CD1 4.33Å; F449-L482 HydrophobicContact CB-CD1 3.91Å; F449-L482 HydrophobicContact CB-CD2 4.19Å; F449-L482 HydrophobicContact CB-CG 3.97Å; F449-L482 HydrophobicContact CG-CD2 4.38Å; V470-L482 HydrophobicContact CG1-CD1 3.98Å; F474-L482 HydrophobicContact CD2-CB 4.19Å; F474-L482 HydrophobicContact CE2-CB 3.9Å; F474-L482 HydrophobicContact CZ-CB 4.18Å; L482-I494 HydrophobicContact CD2-CD1 4.16Å; L482-I494 HydrophobicContact CD2-CG2 3.69Å
483V94.3Very high81.4Confident0 Ų027.6 Ų27.60%017%0.165CC..EExtended strand (participates in β ladder)trans-106.9114.8178.4-164.40000108.5I422 V430 I433 A434 L437 M447 K448 F449 T481I422-V483 HydrophobicContact CB-CG1 4.15Å; I422-V483 HydrophobicContact CB-CG2 4.47Å; I422-V483 HydrophobicContact CD1-CG2 4.27Å; I422-V483 HydrophobicContact CG2-CG1 4.11Å; I422-V483 CarbonylContact O-C 3.38Å; I422-V483 WeakPolarHBondContact O-CA 3.29Å; V430-V483 HydrophobicContact CB-CG1 4.22Å; V430-V483 HydrophobicContact CG1-CB 4.14Å; V430-V483 HydrophobicContact CG1-CG1 3.8Å; V430-V483 WeakPolarHBondContact CG1-O 3.09Å; V430-V483 HydrophobicContact CG2-CG1 4.3Å; I433-V483 HydrophobicContact CB-CG1 4.07Å; I433-V483 HydrophobicContact CG2-CG1 3.8Å; I433-V483 HydrophobicContact CG2-CG2 4.12Å; A434-V483 HydrophobicContact CB-CB 4.45Å; A434-V483 HydrophobicContact CB-CG2 4.2Å; L437-V483 HydrophobicContact CD1-CG2 4.31Å; M447-V483 PolarHBondContact O-N 2.88Å; K448-V483 CarbonylContact C-O 3.6Å; K448-V483 WeakPolarHBondContact CA-O 3.43Å; F449-V483 PolarHBondContact N-O 2.91Å; T481-V483 HydrophobicContact CG2-CG2 4.43Å
484S90.7Very high80.7Confident0 Ų023.8 Ų23.80%015%0.148CC..EExtended strand (participates in β ladder)trans-130.9154.4-171.1-163.50000113.8I422 F423 S424 F449 G488I422-S484 PolarHBondContact O-N 3.45Å; F423-S484 WeakPolarHBondContact CA-O 3.26Å; S424-S484 PolarHBondContact N-O 3.38Å; F449-S484 WeakPolarHBondContact CD1-OG 3.41Å; F449-S484 WeakPolarHBondContact O-CA 3.48Å; F449-S484 PolarHBondContact O-OG 2.86Å; S484-G488 WeakPolarHBondContact OG-CA 3.44Å; S484-G488 PolarHBondContact OG-N 3.43Å; S484-G488 VanDerWaalsContact OG-N 3.1Å
485T86.9Confident80.1Confident18 Ų1824.4 Ų24.411%0.1115%0.154CC..  trans-80.6-169.1161.362.30000110.9S424 V430 L450 V487 G488S424-T485 VanDerWaalsContact O-CA 3.25Å; S424-T485 WeakPolarHBondContact O-CA 3.46Å; V430-T485 HydrophobicContact CG2-CG2 3.78Å; L450-T485 HydrophobicContact CD2-CG2 3.72Å; T485-V487 PolarHBondContact O-N 3.11Å; T485-G488 PolarHBondContact O-N 2.91Å
486C75.2Confident79.7Confident33 Ų3322.8 Ų22.822%0.22315%0.147CC..G310 helixtrans-56.1-11.9174.9-48.80000113.7G488 E489 R511C486-G488 VanDerWaalsContact C-N 3.29Å; C486-G488 PolarHBondContact O-N 3.03Å; C486-E489 VanDerWaalsContact O-CB 3.29Å; C486-E489 WeakPolarHBondContact O-CB 3.32Å; C486-E489 PolarHBondContact O-N 3.19Å; C486-E489 VanDerWaalsContact O-N 3.17Å; C486-R511 PolarHBondContact SG-NH1 3.49Å
487V70.7Confident79.8Confident34 Ų3417.5 Ų17.521%0.20611%0.111CC..G310 helixtrans-66.3-31.7175.7-177.10000111.8F449 T485 E489 E490F449-V487 HydrophobicContact CE1-CG1 4.01Å; T485-V487 PolarHBondContact O-N 3.11Å; V487-E489 PolarHBondContact O-N 3.49Å; V487-E490 PolarHBondContact O-N 3.08Å
488G62.9Low80Confident0 Ų017.1 Ų17.10%010%0.104CC..G310 helixtrans-70.8-13.8174.300000113.8S484 T485 C486 I494S484-G488 WeakPolarHBondContact OG-CA 3.44Å; S484-G488 PolarHBondContact OG-N 3.43Å; S484-G488 VanDerWaalsContact OG-N 3.1Å; T485-G488 PolarHBondContact O-N 2.91Å; C486-G488 VanDerWaalsContact C-N 3.29Å; C486-G488 PolarHBondContact O-N 3.03Å; G488-I494 WeakPolarHBondContact O-CD1 3.21Å
489E64Low80.2Confident7 Ų715.9 Ų15.93%0.0339%0.09CC..G310 helixtrans-78.5-27177.9-56.6171.2176.800111.7F423 C486 V487 R511 R515F423-E489 HydrophobicContact CD1-CG 3.97Å; F423-E489 HydrophobicContact CE1-CG 3.67Å; F423-E489 HydrophobicContact CZ-CG 4.45Å; C486-E489 VanDerWaalsContact O-CB 3.29Å; C486-E489 WeakPolarHBondContact O-CB 3.32Å; C486-E489 PolarHBondContact O-N 3.19Å; C486-E489 VanDerWaalsContact O-N 3.17Å; V487-E489 PolarHBondContact O-N 3.49Å; E489-R511 WeakPolarHBondContact OE2-CD 3.49Å; E489-R511 WeakPolarHBondContact OE2-CG 3.5Å; E489-R511 IonicContact OE2-NE 2.69Å; E489-R515 HydrophobicContact CG-CG 4.03Å; E489-R515 IonicContact OE1-CZ 3.72Å; E489-R515 IonicContact OE1-NE 2.8Å; E489-R515 PolarHBondContact OE1-NE 3.29Å; E489-R515 IonicContact OE1-NH2 2.67Å; E489-R515 PolarHBondContact OE1-NH2 3.33Å
490E65.7Low80.2Confident41 Ų4114.1 Ų14.119%0.1928%0.083CC..SBendtrans-56.1152.9179.2-58.2-161142.900110.3T75 L78 R150 V487 L492 R518T75-E490 VanDerWaalsContact CG2-OE2 3.31Å; T75-E490 WeakPolarHBondContact CG2-OE2 3.26Å; T75-E490 PolarHBondContact OG1-OE2 3.1Å; L78-E490 HydrophobicContact CD1-CB 3.98Å; R150-E490 IonicContact NH2-OE1 3.12Å; R150-E490 PolarHBondContact NH2-OE1 3.49Å; V487-E490 PolarHBondContact O-N 3.08Å; E490-L492 PolarHBondContact O-N 3.48Å; E490-R518 PolarHBondContact O-NH2 3.46Å; E490-R518 VanDerWaalsContact O-NH2 3.16Å
491G60.3Low80.2Confident12 Ų1213.5 Ų13.512%0.1248%0.08CC..SBendtrans-50.97.4-17600000118Q81 D493Q81-G491 PolarHBondContact NE2-O 3.33Å; G491-D493 PolarHBondContact O-N 2.89Å
492L69.1Low80Confident3 Ų313.5 Ų13.52%0.0168%0.08CC..  trans-48.3126.1169.3-69.9175.5000112.1P77 L78 F449 I471 E490 I494 R518P77-L492 HydrophobicContact CB-CD2 3.57Å; L78-L492 HydrophobicContact CD1-CD2 4.24Å; L78-L492 HydrophobicContact CD1-CG 4.1Å; F449-L492 HydrophobicContact CE1-CD1 3.83Å; F449-L492 HydrophobicContact CZ-CD1 3.77Å; I471-L492 HydrophobicContact CD1-CB 4.39Å; I471-L492 HydrophobicContact CD1-CD1 4.31Å; I471-L492 HydrophobicContact CD1-CD2 4.39Å; E490-L492 PolarHBondContact O-N 3.48Å; L492-I494 HydrophobicContact CB-CG1 4.31Å; L492-I494 PolarHBondContact O-N 2.81Å; L492-I494 VanDerWaalsContact O-N 3.08Å; L492-R518 PolarHBondContact O-NH1 3.45Å; L492-R518 PolarHBondContact O-NH2 3.04Å
493D70Confident79.9Confident70 Ų7013.5 Ų13.537%0.3748%0.08SC..  trans-82.186.8175.6-172.723.3000109.9Q81 I471 Q475 G491 G495 R521Q81-D493 VanDerWaalsContact CD-N 3.29Å; I471-D493 WeakPolarHBondContact CG2-O 3.47Å; Q475-D493 PolarHBondContact NE2-O 3.25Å; G491-D493 PolarHBondContact O-N 2.89Å; D493-G495 PolarHBondContact O-N 2.89Å; D493-G495 PolarHBondContact OD1-N 2.85Å; D493-R521 IonicContact OD1-NH1 3.74Å
494I74.2Confident79.5Confident1 Ų113.6 Ų13.61%0.0058%0.08CC..  trans-74.9-7.8177.6-60.2171.4000111.1M421 F474 Q475 L482 G488 L492M421-I494 HydrophobicContact CE-CD1 3.39Å; M421-I494 HydrophobicContact SD-CD1 3.96Å; M421-I494 HydrophobicContact SD-CG2 4.47Å; F474-I494 HydrophobicContact CD1-CG2 3.76Å; F474-I494 WeakPolarHBondContact CD1-O 3.4Å; F474-I494 HydrophobicContact CE1-CG2 3.68Å; Q475-I494 WeakPolarHBondContact CG-O 3.44Å; L482-I494 HydrophobicContact CD2-CD1 4.16Å; L482-I494 HydrophobicContact CD2-CG2 3.69Å; G488-I494 WeakPolarHBondContact O-CD1 3.21Å; L492-I494 HydrophobicContact CB-CG1 4.31Å; L492-I494 PolarHBondContact O-N 2.81Å; L492-I494 VanDerWaalsContact O-N 3.08Å
495G76.3Confident78.9Confident14 Ų1415.1 Ų15.114%0.1449%0.091CC..  trans85.3-163.6-167.800000112D493D493-G495 PolarHBondContact O-N 2.89Å; D493-G495 PolarHBondContact OD1-N 2.85Å
496E78.3Confident78.1Confident32 Ų3215.1 Ų15.115%0.159%0.091CC..  trans-95.3140.7-177.8-177.4171.1-160.200111.6R522E496-R522 WeakPolarHBondContact OE1-CA 3.18Å; E496-R522 WeakPolarHBondContact OE1-CB 3.29Å; E496-R522 PolarHBondContact OE1-N 3.04Å; E496-R522 VanDerWaalsContact OE2-CB 3.29Å; E496-R522 WeakPolarHBondContact OE2-CB 3.5Å; E496-R522 WeakPolarHBondContact OE2-CD 3.25Å; E496-R522 WeakPolarHBondContact OE2-CG 3.31Å; E496-R522 IonicContact OE2-NE 2.8Å
497V87.9Confident77.9Confident0 Ų018.7 Ų18.70%012%0.117CC..  trans-130144.4174.7-61.30000109.5R419 M421 F474 I500 R518 T519R419-V497 HydrophobicContact CB-CB 4.5Å; R419-V497 HydrophobicContact CB-CG1 4.1Å; M421-V497 HydrophobicContact CB-CB 4.44Å; M421-V497 HydrophobicContact CB-CG1 4.17Å; M421-V497 HydrophobicContact CB-CG2 4.16Å; F474-V497 HydrophobicContact CE1-CG1 3.86Å; F474-V497 HydrophobicContact CZ-CG1 3.76Å; V497-I500 HydrophobicContact CG2-CD1 3.95Å; V497-I500 HydrophobicContact CG2-CG1 3.63Å; V497-R518 HydrophobicContact CG2-CB 4.15Å; V497-R518 PolarHBondContact N-O 3.44Å; V497-T519 WeakPolarHBondContact O-CA 3.35Å; V497-T519 WeakPolarHBondContact O-CB 3.31Å; V497-T519 PolarHBondContact O-OG1 3.27Å
498D89.9Confident78Confident14 Ų1418.6 Ų18.68%0.07512%0.117CC..SBendtrans-94.5-28.3-176.2-51.4-58.4000111.5T418 R419 R523 K526T418-D498 WeakPolarHBondContact CA-OD2 3.28Å; T418-D498 VanDerWaalsContact CB-OD2 3.31Å; T418-D498 WeakPolarHBondContact CB-OD2 3.29Å; T418-D498 WeakPolarHBondContact OG1-CB 3.15Å; T418-D498 PolarHBondContact OG1-OD2 3.07Å; R419-D498 PolarHBondContact N-OD2 3.34Å; R419-D498 PolarHBondContact O-N 2.92Å; D498-R523 VanDerWaalsContact CG-NH2 3.32Å; D498-R523 IonicContact OD1-CZ 2.68Å; D498-R523 VanDerWaalsContact OD1-CZ 3.23Å; D498-R523 IonicContact OD1-NE 3.26Å; D498-R523 PolarHBondContact OD1-NE 2.81Å; D498-R523 IonicContact OD1-NH2 3.24Å; D498-R523 PolarHBondContact OD1-NH2 2.87Å; D498-R523 VanDerWaalsContact OD1-NH2 3.09Å; D498-R523 IonicContact OD2-CZ 3.35Å; D498-R523 IonicContact OD2-NE 3.17Å; D498-R523 IonicContact OD2-NH2 3.8Å; D498-R523 PolarHBondContact OD2-NH2 3.23Å; D498-K526 PolarHBondContact O-N 2.69Å
499L92.6Very high78.4Confident4 Ų422.9 Ų22.92%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-125.7128.2177175.564.1000110.5H407 R419 V420 M421 V501 K526 L528H407-L499 HydrophobicContact CB-CD2 3.73Å; R419-L499 PolarHBondContact O-N 2.98Å; V420-L499 CarbonylContact C-O 3.29Å; V420-L499 WeakPolarHBondContact CA-O 3.18Å; V420-L499 HydrophobicContact CG1-CB 4.27Å; V420-L499 HydrophobicContact CG1-CD2 4.02Å; V420-L499 HydrophobicContact CG1-CG 4.1Å; V420-L499 HydrophobicContact CG2-CB 4.15Å; V420-L499 HydrophobicContact CG2-CD2 4.2Å; M421-L499 PolarHBondContact N-O 2.99Å; L499-V501 HydrophobicContact CD1-CG2 4.19Å; L499-V501 HydrophobicContact CD2-CG2 4.08Å; L499-V501 HydrophobicContact CG-CG2 3.94Å; L499-K526 CarbonylContact C-O 3.47Å; L499-K526 WeakPolarHBondContact CA-O 3.36Å; L499-K526 HydrophobicContact CD1-CB 4.11Å; L499-K526 HydrophobicContact CD1-CG 4.38Å; L499-L528 HydrophobicContact CD1-CD1 3.75Å; L499-L528 HydrophobicContact CD1-CG 3.79Å
500I92.3Very high78.8Confident0 Ų023 Ų230%015%0.147CC..EExtended strand (participates in β ladder)trans-115.5124.7170.5-59.5-178.7000108.5M421 F423 V497 R515 R518 T519 K526 I527 L528M421-I500 CarbonylContact O-C 3.55Å; M421-I500 VanDerWaalsContact O-CA 3.29Å; M421-I500 WeakPolarHBondContact O-CA 3.28Å; F423-I500 HydrophobicContact CD2-CG2 3.79Å; F423-I500 HydrophobicContact CE2-CG2 3.8Å; V497-I500 HydrophobicContact CG2-CD1 3.95Å; V497-I500 HydrophobicContact CG2-CG1 3.63Å; I500-R515 WeakPolarHBondContact CD1-O 3.34Å; I500-R518 HydrophobicContact CD1-CB 3.89Å; I500-T519 HydrophobicContact CD1-CG2 3.78Å; I500-T519 HydrophobicContact CG1-CG2 4.3Å; I500-K526 PolarHBondContact N-O 2.72Å; I500-I527 HydrophobicContact CB-CG1 4.08Å; I500-I527 HydrophobicContact CD1-CG1 4.39Å; I500-I527 CarbonylContact O-C 3.56Å; I500-I527 WeakPolarHBondContact O-CA 3.5Å; I500-L528 PolarHBondContact O-N 3.35Å
501V94Very high79.3Confident0 Ų025.1 Ų25.10%015%0.153CC..EExtended strand (participates in β ladder)trans-112.8116.8174.7-1720000109.1L400 M421 I422 F423 L499 L528 L530L400-V501 HydrophobicContact CD1-CB 4.43Å; L400-V501 HydrophobicContact CD1-CG1 3.76Å; M421-V501 PolarHBondContact O-N 2.74Å; I422-V501 CarbonylContact C-O 3.6Å; I422-V501 WeakPolarHBondContact CA-O 3.38Å; I422-V501 HydrophobicContact CG1-CB 4.22Å; F423-V501 PolarHBondContact N-O 3.48Å; L499-V501 HydrophobicContact CD1-CG2 4.19Å; L499-V501 HydrophobicContact CD2-CG2 4.08Å; L499-V501 HydrophobicContact CG-CG2 3.94Å; V501-L528 CarbonylContact C-O 3.54Å; V501-L528 WeakPolarHBondContact CA-O 3.4Å; V501-L528 HydrophobicContact CG2-CB 4.49Å; V501-L530 HydrophobicContact CG1-CD1 3.85Å; V501-L530 HydrophobicContact CG1-CD2 4.33Å; V501-L530 HydrophobicContact CG1-CG 3.86Å
502C92Very high80.1Confident0 Ų025.6 Ų25.60%015%0.152CC..EExtended strand (participates in β ladder)trans-89.7103.9168.6-610000107.7D504 R515 L528 L529 L530C502-D504 PolarHBondContact O-N 3.31Å; C502-R515 PolarHBondContact SG-NH1 3.1Å; C502-L528 PolarHBondContact N-O 3.16Å; C502-L529 HydrophobicContact CB-CD1 3.67Å; C502-L530 PolarHBondContact O-N 3.33Å
503Y91Very high80.3Confident0 Ų028.4 Ų28.40%017%0.169CC..SBendtrans-65.6-29.6178.8-175.5-98.4000112.2M309 K396 M397 L400 F423 I433 L530M309-Y503 WeakPolarHBondContact O-CE1 3.31Å; K396-Y503 HydrophobicContact CB-CD2 4.25Å; K396-Y503 HydrophobicContact CB-CE2 3.46Å; K396-Y503 VanDerWaalsContact CB-CE2 3.46Å; K396-Y503 HydrophobicContact CD-CE1 4.19Å; K396-Y503 HydrophobicContact CD-CE2 4.26Å; M397-Y503 HydrophobicContact CG-CE2 4Å; M397-Y503 WeakPolarHBondContact CG-OH 3.46Å; L400-Y503 HydrophobicContact CD1-CD2 3.82Å; F423-Y503 VanDerWaalsContact O-CB 3.25Å; F423-Y503 WeakPolarHBondContact O-CB 3.37Å; F423-Y503 PolarHBondContact O-N 3.37Å; I433-Y503 HydrophobicContact CD1-CD1 4.4Å; I433-Y503 HydrophobicContact CD1-CD2 3.81Å; I433-Y503 HydrophobicContact CD1-CE2 4.1Å; I433-Y503 HydrophobicContact CD1-CG 3.96Å; Y503-L530 HydrophobicContact CD2-CD1 4.21Å
504D85.5Confident80.7Confident2 Ų225.7 Ų25.71%0.01116%0.155CC..SBendtrans-132.6154.6174.252.55.5000111.8M309 H310 S424 S425 C502M309-D504 HydrophobicContact CE-CB 4.12Å; H310-D504 IonicContact CE1-OD2 2.7Å; H310-D504 PolarHBondContact CE1-OD2 3.2Å; S424-D504 WeakPolarHBondContact CA-OD1 3.29Å; S425-D504 WeakPolarHBondContact CA-OD2 3.41Å; S425-D504 WeakPolarHBondContact CB-OD2 3.49Å; S425-D504 PolarHBondContact N-OD1 3.41Å; S425-D504 VanDerWaalsContact N-OD1 3.14Å; S425-D504 PolarHBondContact N-OD2 3.08Å; S425-D504 PolarHBondContact OG-OD2 3.28Å; C502-D504 PolarHBondContact O-N 3.31Å
505S77.4Confident80.9Confident32 Ų3225.7 Ų25.722%0.22416%0.155CC..  trans-62.4126.5176.7-171.80000110.9S507 S540S505-S507 PolarHBondContact O-N 3.49Å; S505-S540 WeakPolarHBondContact OG-CB 3.35Å
506P71.5Confident80.9Confident19 Ų1926.6 Ų26.612%0.12316%0.156CC..  trans-62.9139.317525.4-30.8000110.1S508 R511 L512P506-S508 PolarHBondContact O-N 2.91Å; P506-S508 VanDerWaalsContact O-N 3.16Å; P506-R511 HydrophobicContact CB-CB 4.02Å; P506-L512 HydrophobicContact CG-CB 3.95Å; P506-L512 HydrophobicContact CG-CD1 4.26Å
507S70.3Confident80.6Confident108 Ų10825.1 Ų25.176%0.75515%0.149SC*.SBendtrans-70.1-8.8179.8-37.80000114S505S505-S507 PolarHBondContact O-N 3.49Å
508S72.9Confident80Confident31 Ų3125.5 Ų25.522%0.21715%0.15CC..SBendtrans-147.6136.9-176.7173.30000110.3P506 V510 R511P506-S508 PolarHBondContact O-N 2.91Å; P506-S508 VanDerWaalsContact O-N 3.16Å; S508-V510 PolarHBondContact O-N 3.12Å; S508-V510 PolarHBondContact OG-N 3.33Å; S508-R511 WeakPolarHBondContact O-CB 3.49Å; S508-R511 PolarHBondContact O-N 3Å
509P71Confident79.4Confident91 Ų9124.8 Ų24.859%0.59115%0.147SC*.Hα-helixtrans-55.5-32173.6-25.533.9000113.1R511 L512 V513P509-R511 PolarHBondContact O-N 3.19Å; P509-L512 WeakPolarHBondContact O-CB 3.47Å; P509-L512 PolarHBondContact O-N 3.07Å; P509-L512 VanDerWaalsContact O-N 3.09Å; P509-V513 PolarHBondContact O-N 3.26Å
510V72.8Confident78.3Confident10 Ų1024.7 Ų24.76%0.06115%0.146CC..Hα-helixtrans-58.5-39.8178.3179.60000111.1P182 S508 V513 Q514P182-V510 HydrophobicContact CB-CG2 4.28Å; S508-V510 PolarHBondContact O-N 3.12Å; S508-V510 PolarHBondContact OG-N 3.33Å; V510-V513 PolarHBondContact O-N 3.25Å; V510-Q514 WeakPolarHBondContact O-CG 3.2Å; V510-Q514 PolarHBondContact O-N 3.49Å
511R76.3Confident77.1Confident84 Ų8427.4 Ų27.432%0.31716%0.157SC..Hα-helixtrans-67.6-39.5177.9-65.8-177176.5-1763.2111.3C486 E489 P506 S508 P509 Q514 R515C486-R511 PolarHBondContact SG-NH1 3.49Å; E489-R511 WeakPolarHBondContact OE2-CD 3.49Å; E489-R511 WeakPolarHBondContact OE2-CG 3.5Å; E489-R511 IonicContact OE2-NE 2.69Å; P506-R511 HydrophobicContact CB-CB 4.02Å; S508-R511 WeakPolarHBondContact O-CB 3.49Å; S508-R511 PolarHBondContact O-N 3Å; P509-R511 PolarHBondContact O-N 3.19Å; R511-Q514 PolarHBondContact O-N 2.87Å; R511-R515 VanDerWaalsContact O-CG 3.25Å; R511-R515 WeakPolarHBondContact O-CG 3.41Å; R511-R515 PolarHBondContact O-N 3.24Å
512L76.6Confident75.8Confident22 Ų2237.1 Ų37.112%0.11519%0.193CC..Hα-helixtrans-60.8-49176-173.262.1000110.4P506 P509 Q514 R515 M516 F542P506-L512 HydrophobicContact CG-CB 3.95Å; P506-L512 HydrophobicContact CG-CD1 4.26Å; P509-L512 WeakPolarHBondContact O-CB 3.47Å; P509-L512 PolarHBondContact O-N 3.07Å; P509-L512 VanDerWaalsContact O-N 3.09Å; L512-Q514 VanDerWaalsContact C-N 3.3Å; L512-Q514 PolarHBondContact O-N 2.96Å; L512-R515 WeakPolarHBondContact O-CB 3.46Å; L512-R515 PolarHBondContact O-N 3.38Å; L512-R515 VanDerWaalsContact O-N 3.13Å; L512-M516 HydrophobicContact CD1-CG 4.44Å; L512-M516 HydrophobicContact CG-CG 4.32Å; L512-M516 HydrophobicContact CG-SD 4Å; L512-M516 WeakPolarHBondContact O-CB 3.35Å; L512-M516 WeakPolarHBondContact O-CG 3.42Å; L512-M516 PolarHBondContact O-N 3.06Å; L512-F542 HydrophobicContact CD2-CE1 3.99Å; L512-F542 HydrophobicContact CD2-CZ 4.14Å
513V74.8Confident75Confident62 Ų6242.1 Ų42.138%0.37621%0.212SC..Hα-helixtrans-57.9-41.7176.6174.90000111.9P509 V510 M516 G517P509-V513 PolarHBondContact O-N 3.26Å; V510-V513 PolarHBondContact O-N 3.25Å; V513-M516 PolarHBondContact O-N 3.46Å; V513-G517 PolarHBondContact O-N 2.78Å
514Q77.3Confident74.4Confident14 Ų1447.3 Ų47.37%0.06524%0.236CC..Hα-helixtrans-64.4-41.7176.4-75.5171.3-25.900112.6E147 H149 A178 V510 R511 L512 G517E147-Q514 PolarHBondContact OE2-NE2 3.11Å; H149-Q514 PolarHBondContact CE1-NE2 3.25Å; A178-Q514 HydrophobicContact CB-CG 4.45Å; V510-Q514 WeakPolarHBondContact O-CG 3.2Å; V510-Q514 PolarHBondContact O-N 3.49Å; R511-Q514 PolarHBondContact O-N 2.87Å; L512-Q514 VanDerWaalsContact C-N 3.3Å; L512-Q514 PolarHBondContact O-N 2.96Å; Q514-G517 PolarHBondContact O-N 2.92Å
515R78.2Confident74.3Confident1 Ų147.2 Ų47.20%0.00424%0.236CC..Hα-helixtrans-62.6-50.6173.6-68.2173.8-173.3-174.4-0.9110.1F423 E489 I500 C502 R511 L512 G517 R518F423-R515 HydrophobicContact CD1-CG 4.43Å; F423-R515 HydrophobicContact CD2-CG 3.92Å; F423-R515 HydrophobicContact CE1-CG 4.26Å; F423-R515 HydrophobicContact CE2-CB 4.13Å; F423-R515 HydrophobicContact CE2-CG 3.74Å; F423-R515 HydrophobicContact CG-CG 4.25Å; F423-R515 HydrophobicContact CZ-CG 3.9Å; E489-R515 HydrophobicContact CG-CG 4.03Å; E489-R515 IonicContact OE1-CZ 3.72Å; E489-R515 IonicContact OE1-NE 2.8Å; E489-R515 PolarHBondContact OE1-NE 3.29Å; E489-R515 IonicContact OE1-NH2 2.67Å; E489-R515 PolarHBondContact OE1-NH2 3.33Å; I500-R515 WeakPolarHBondContact CD1-O 3.34Å; C502-R515 PolarHBondContact SG-NH1 3.1Å; R511-R515 VanDerWaalsContact O-CG 3.25Å; R511-R515 WeakPolarHBondContact O-CG 3.41Å; R511-R515 PolarHBondContact O-N 3.24Å; L512-R515 WeakPolarHBondContact O-CB 3.46Å; L512-R515 PolarHBondContact O-N 3.38Å; L512-R515 VanDerWaalsContact O-N 3.13Å; R515-G517 PolarHBondContact O-N 3.29Å; R515-R518 VanDerWaalsContact O-CB 3.31Å; R515-R518 WeakPolarHBondContact O-CB 3.4Å; R515-R518 WeakPolarHBondContact O-CG 3.42Å; R515-R518 PolarHBondContact O-N 2.81Å
516M76.1Confident74.9Confident33 Ų3348.8 Ų48.816%0.16324%0.238CC..Hα-helixtrans-56-38.6178.7-67.6177.664.800112.4R216 V218 L512 V513 R518 T519 I527R216-M516 PolarHBondContact NE-O 2.84Å; V218-M516 HydrophobicContact CG2-CE 3.76Å; V218-M516 HydrophobicContact CG2-SD 4.45Å; L512-M516 HydrophobicContact CD1-CG 4.44Å; L512-M516 HydrophobicContact CG-CG 4.32Å; L512-M516 HydrophobicContact CG-SD 4Å; L512-M516 WeakPolarHBondContact O-CB 3.35Å; L512-M516 WeakPolarHBondContact O-CG 3.42Å; L512-M516 PolarHBondContact O-N 3.06Å; V513-M516 PolarHBondContact O-N 3.46Å; M516-R518 PolarHBondContact O-N 3.38Å; M516-T519 PolarHBondContact O-N 3.08Å; M516-T519 VanDerWaalsContact O-N 3.1Å; M516-I527 HydrophobicContact CB-CD1 4.08Å; M516-I527 HydrophobicContact CE-CD1 4.36Å; M516-I527 HydrophobicContact CG-CD1 3.71Å; M516-I527 HydrophobicContact CG-CG1 4.43Å
517G72.6Confident75.8Confident1 Ų147.9 Ų47.91%0.0123%0.232CC..THydrogen-bonded Turntrans-64.1-2.7176.800000115.6V513 Q514 R515 R521V513-G517 PolarHBondContact O-N 2.78Å; Q514-G517 PolarHBondContact O-N 2.92Å; R515-G517 PolarHBondContact O-N 3.29Å; G517-R521 PolarHBondContact O-NE 2.73Å; G517-R521 PolarHBondContact O-NH2 3.27Å
518R75.1Confident76.9Confident7 Ų743 Ų433%0.02620%0.198CC..THydrogen-bonded Turntrans-90.7-15.3174.3-55.3-64.2163.3178.15.1113.7E490 L492 V497 I500 R515 M516E490-R518 PolarHBondContact O-NH2 3.46Å; E490-R518 VanDerWaalsContact O-NH2 3.16Å; L492-R518 PolarHBondContact O-NH1 3.45Å; L492-R518 PolarHBondContact O-NH2 3.04Å; V497-R518 HydrophobicContact CG2-CB 4.15Å; V497-R518 PolarHBondContact N-O 3.44Å; I500-R518 HydrophobicContact CD1-CB 3.89Å; R515-R518 VanDerWaalsContact O-CB 3.31Å; R515-R518 WeakPolarHBondContact O-CB 3.4Å; R515-R518 WeakPolarHBondContact O-CG 3.42Å; R515-R518 PolarHBondContact O-N 2.81Å; M516-R518 PolarHBondContact O-N 3.38Å
519T77.6Confident77.7Confident0 Ų041.6 Ų41.60%019%0.188CC..SBendtrans-118.9170.6177.1-164.70000111.5R216 V497 I500 M516 G525 I527R216-T519 HydrophobicContact CG-CG2 4.45Å; R216-T519 VanDerWaalsContact CZ-O 3.31Å; R216-T519 PolarHBondContact NE-O 2.8Å; R216-T519 PolarHBondContact NH2-O 2.63Å; V497-T519 WeakPolarHBondContact O-CA 3.35Å; V497-T519 WeakPolarHBondContact O-CB 3.31Å; V497-T519 PolarHBondContact O-OG1 3.27Å; I500-T519 HydrophobicContact CD1-CG2 3.78Å; I500-T519 HydrophobicContact CG1-CG2 4.3Å; M516-T519 PolarHBondContact O-N 3.08Å; M516-T519 VanDerWaalsContact O-N 3.1Å; T519-G525 WeakPolarHBondContact OG1-CA 3.34Å; T519-I527 HydrophobicContact CG2-CD1 3.6Å; T519-I527 HydrophobicContact CG2-CG1 3.75Å
520G69.5Low78.7Confident1 Ų137.3 Ų37.31%0.0116%0.16CC..SBendtrans71.728.7178.900000114.6H214 R523H214-G520 WeakPolarHBondContact CB-O 3.3Å; H214-G520 PolarHBondContact N-O 3.31Å; G520-R523 VanDerWaalsContact CA-O 3.23Å; G520-R523 WeakPolarHBondContact CA-O 3.24Å
521R67.6Low79.4Confident58 Ų5836.8 Ų36.822%0.21916%0.157CC..SBendtrans-95.7-40.9-176.2-70.7-170.8-174.8174.17.1113.8H214 D493 G517H214-R521 PolarHBondContact CE1-O 3.21Å; H214-R521 PolarHBondContact ND1-O 2.8Å; D493-R521 IonicContact OD1-NH1 3.74Å; G517-R521 PolarHBondContact O-NE 2.73Å; G517-R521 PolarHBondContact O-NH2 3.27Å
522R66.9Low79.8Confident203 Ų20332.9 Ų32.977%0.76614%0.142SC*.SBendtrans-118.6-20.2175.7-63-176.2178.6179.9-3.4113H214 E496H214-R522 PolarHBondContact CD2-O 2.91Å; H214-R522 VanDerWaalsContact CE1-CA 3.49Å; H214-R522 WeakPolarHBondContact CE1-CA 3.37Å; H214-R522 PolarHBondContact NE2-O 3.42Å; H214-R522 VanDerWaalsContact NE2-O 3.1Å; E496-R522 WeakPolarHBondContact OE1-CA 3.18Å; E496-R522 WeakPolarHBondContact OE1-CB 3.29Å; E496-R522 PolarHBondContact OE1-N 3.04Å; E496-R522 VanDerWaalsContact OE2-CB 3.29Å; E496-R522 WeakPolarHBondContact OE2-CB 3.5Å; E496-R522 WeakPolarHBondContact OE2-CD 3.25Å; E496-R522 WeakPolarHBondContact OE2-CG 3.31Å; E496-R522 IonicContact OE2-NE 2.8Å
523R74.3Confident80Confident106 Ų10636.1 Ų36.140%0.416%0.157SC..SBendtrans-154.2168.5-178.952.5-173.4176.8-178.12.1110.5S417 D498 G520 G525S417-R523 PolarHBondContact O-NH1 3Å; S417-R523 PolarHBondContact O-NH2 2.59Å; D498-R523 VanDerWaalsContact CG-NH2 3.32Å; D498-R523 IonicContact OD1-CZ 2.68Å; D498-R523 VanDerWaalsContact OD1-CZ 3.23Å; D498-R523 IonicContact OD1-NE 3.26Å; D498-R523 PolarHBondContact OD1-NE 2.81Å; D498-R523 IonicContact OD1-NH2 3.24Å; D498-R523 PolarHBondContact OD1-NH2 2.87Å; D498-R523 VanDerWaalsContact OD1-NH2 3.09Å; D498-R523 IonicContact OD2-CZ 3.35Å; D498-R523 IonicContact OD2-NE 3.17Å; D498-R523 IonicContact OD2-NH2 3.8Å; D498-R523 PolarHBondContact OD2-NH2 3.23Å; G520-R523 VanDerWaalsContact CA-O 3.23Å; G520-R523 WeakPolarHBondContact CA-O 3.24Å; R523-G525 PolarHBondContact O-N 2.94Å
524H78.1Confident80.1Confident109 Ų10934.8 Ų34.851%0.50516%0.155SC..  trans-56.7129.6-176-170.7-87.4000111.5G215G215-H524 VanDerWaalsContact C-CD2 3.43Å; G215-H524 WeakPolarHBondContact O-CA 3.44Å; G215-H524 PolarHBondContact O-CD2 2.87Å
525G84.3Confident79.6Confident0 Ų039.3 Ų39.30%018%0.175CC..EExtended strand (participates in β ladder)trans-105.3139.7-17900000112.3G215 R216 E217 T519 R523G215-G525 PolarHBondContact O-N 3.05Å; R216-G525 CarbonylContact C-O 3.48Å; R216-G525 VanDerWaalsContact CA-O 3.26Å; R216-G525 WeakPolarHBondContact CA-O 3.38Å; E217-G525 PolarHBondContact N-O 2.83Å; T519-G525 WeakPolarHBondContact OG1-CA 3.34Å; R523-G525 PolarHBondContact O-N 2.94Å
526K89.9Confident79.4Confident64 Ų6440 Ų4028%0.27818%0.178SC..EExtended strand (participates in β ladder)trans-110.7131.3172.4-163.2168-165.7-177.90110.7E217 E219 D498 L499 I500 L528E217-K526 WeakPolarHBondContact OE2-CE 3.19Å; E217-K526 IonicContact OE2-NZ 3.15Å; E219-K526 WeakPolarHBondContact OE2-CE 3.18Å; E219-K526 IonicContact OE2-NZ 3.89Å; E219-K526 PolarHBondContact OE2-NZ 3.29Å; D498-K526 PolarHBondContact O-N 2.69Å; L499-K526 CarbonylContact C-O 3.47Å; L499-K526 WeakPolarHBondContact CA-O 3.36Å; L499-K526 HydrophobicContact CD1-CB 4.11Å; L499-K526 HydrophobicContact CD1-CG 4.38Å; I500-K526 PolarHBondContact N-O 2.72Å; K526-L528 HydrophobicContact CD-CD2 4.06Å; K526-L528 HydrophobicContact CG-CD2 4.02Å; K526-L528 HydrophobicContact CG-CG 4.43Å
527I89.4Confident79.4Confident0 Ų041.5 Ų41.50%019%0.185CC..EExtended strand (participates in β ladder)trans-119.3120.8175-62.6128.2000108.2R216 E217 V218 E219 I500 M516 T519R216-I527 HydrophobicContact CB-CD1 4.24Å; E217-I527 PolarHBondContact O-N 2.88Å; V218-I527 WeakPolarHBondContact CA-O 3.3Å; V218-I527 HydrophobicContact CG1-CB 4.43Å; V218-I527 HydrophobicContact CG1-CG2 4.32Å; V218-I527 HydrophobicContact CG2-CB 4.32Å; V218-I527 HydrophobicContact CG2-CD1 4Å; E219-I527 PolarHBondContact N-O 3.44Å; I500-I527 HydrophobicContact CB-CG1 4.08Å; I500-I527 HydrophobicContact CD1-CG1 4.39Å; I500-I527 CarbonylContact O-C 3.56Å; I500-I527 WeakPolarHBondContact O-CA 3.5Å; M516-I527 HydrophobicContact CB-CD1 4.08Å; M516-I527 HydrophobicContact CE-CD1 4.36Å; M516-I527 HydrophobicContact CG-CD1 3.71Å; M516-I527 HydrophobicContact CG-CG1 4.43Å; T519-I527 HydrophobicContact CG2-CD1 3.6Å; T519-I527 HydrophobicContact CG2-CG1 3.75Å
528L92.6Very high79.3Confident5 Ų548.6 Ų48.63%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-109122.8178.3-58.1-177.8000109.2E219 V221 L403 L499 I500 V501 C502 K526E219-L528 HydrophobicContact CB-CD2 3.74Å; E219-L528 HydrophobicContact CG-CD2 4.36Å; E219-L528 WeakPolarHBondContact O-CA 3.18Å; V221-L528 HydrophobicContact CG2-CD2 4.29Å; L403-L528 HydrophobicContact CB-CD1 4.13Å; L403-L528 HydrophobicContact CD1-CD1 3.75Å; L403-L528 HydrophobicContact CD2-CD1 3.83Å; L403-L528 HydrophobicContact CG-CD1 4.11Å; L499-L528 HydrophobicContact CD1-CD1 3.75Å; L499-L528 HydrophobicContact CD1-CG 3.79Å; I500-L528 PolarHBondContact O-N 3.35Å; V501-L528 CarbonylContact C-O 3.54Å; V501-L528 WeakPolarHBondContact CA-O 3.4Å; V501-L528 HydrophobicContact CG2-CB 4.49Å; C502-L528 PolarHBondContact N-O 3.16Å; K526-L528 HydrophobicContact CD-CD2 4.06Å; K526-L528 HydrophobicContact CG-CD2 4.02Å; K526-L528 HydrophobicContact CG-CG 4.43Å
529L91.1Very high78.8Confident3 Ų353.4 Ų53.42%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-101.7112.1170.7176.963.1000109.1E219 V221 C502 V531 F542E219-L529 PolarHBondContact O-N 3.02Å; V221-L529 PolarHBondContact N-O 2.84Å; C502-L529 HydrophobicContact CB-CD1 3.67Å; L529-V531 HydrophobicContact CD2-CG2 4.17Å; L529-V531 HydrophobicContact CG-CG2 3.9Å; L529-F542 HydrophobicContact CD2-CE2 3.87Å
530L91.4Very high77.8Confident0 Ų054 Ų540%026%0.255CS..EExtended strand (participates in β ladder)trans-83.8129.6176.9-54.5-170000109.8V221 I223 L400 L403 V501 C502 Y503V221-L530 HydrophobicContact CB-CD2 3.83Å; V221-L530 HydrophobicContact CG1-CD2 4.27Å; V221-L530 HydrophobicContact CG2-CD2 4.22Å; I223-L530 HydrophobicContact CD1-CB 3.9Å; I223-L530 HydrophobicContact CD1-CD1 4.49Å; I223-L530 HydrophobicContact CD1-CD2 4.34Å; I223-L530 HydrophobicContact CD1-CG 4.46Å; L400-L530 HydrophobicContact CB-CD1 3.81Å; L400-L530 HydrophobicContact CD1-CD1 4.11Å; L400-L530 HydrophobicContact CG-CD1 4.5Å; L403-L530 HydrophobicContact CD1-CD2 3.68Å; V501-L530 HydrophobicContact CG1-CD1 3.85Å; V501-L530 HydrophobicContact CG1-CD2 4.33Å; V501-L530 HydrophobicContact CG1-CG 3.86Å; C502-L530 PolarHBondContact O-N 3.33Å; Y503-L530 HydrophobicContact CD2-CD1 4.21Å
531V88.3Confident77Confident0 Ų062.3 Ų62.30%029%0.292CS..EExtended strand (participates in β ladder)trans-138.1130.9179.3-179.30000109.7R220 V221 V222 I223 L529 E536 Q537R220-V531 HydrophobicContact CG-CG2 4.24Å; V221-V531 PolarHBondContact O-N 3.09Å; V222-V531 CarbonylContact C-O 3.49Å; V222-V531 WeakPolarHBondContact CA-O 3.41Å; I223-V531 PolarHBondContact N-O 3.38Å; L529-V531 HydrophobicContact CD2-CG2 4.17Å; L529-V531 HydrophobicContact CG-CG2 3.9Å; V531-E536 HydrophobicContact CG1-CB 4.03Å; V531-E536 HydrophobicContact CG1-CG 3.79Å; V531-Q537 VanDerWaalsContact CG1-CA 3.43Å; V531-Q537 HydrophobicContact CG1-CB 3.92Å; V531-Q537 HydrophobicContact CG1-CG 4.48Å
532T84.2Confident76Confident2 Ų267.8 Ų67.81%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-72.8137.7168.6-51.40000109.7M225 M229 H394 K396 E536 Q537M225-T532 HydrophobicContact CE-CG2 4.29Å; M225-T532 HydrophobicContact SD-CG2 3.45Å; M225-T532 WeakPolarHBondContact SD-CG2 3.2Å; M229-T532 HydrophobicContact CE-CG2 3.74Å; H394-T532 PolarHBondContact CE1-OG1 3.11Å; K396-T532 WeakPolarHBondContact CE-OG1 3.42Å; T532-E536 WeakPolarHBondContact CB-OE2 3.39Å; T532-E536 PolarHBondContact N-OE2 3.07Å; T532-E536 PolarHBondContact OG1-OE2 3.33Å; T532-Q537 PolarHBondContact O-N 2.92Å
533E81.2Confident76.5Confident90 Ų9061.1 Ų61.142%0.42130%0.295SS..THydrogen-bonded Turntrans-53.1141.6169.9-177.7177.7-155.800112V222 I223 P224 M225V222-E533 HydrophobicContact CG1-CB 4.07Å; I223-E533 PolarHBondContact O-N 3.2Å; P224-E533 WeakPolarHBondContact CA-OE2 3.09Å; M225-E533 HydrophobicContact CG-CB 4.22Å; M225-E533 PolarHBondContact N-OE2 3.42Å; M225-E533 VanDerWaalsContact N-OE2 3.17Å
534G75.5Confident76.6Confident33 Ų3358.7 Ų58.734%0.3429%0.29SS..THydrogen-bonded Turntrans102.6-133.2-178.900000114E536 Q537 L538G534-E536 VanDerWaalsContact C-N 3.35Å; G534-E536 PolarHBondContact O-N 3.04Å; G534-Q537 WeakPolarHBondContact O-CA 3.49Å; G534-Q537 WeakPolarHBondContact O-CB 3.35Å; G534-Q537 PolarHBondContact O-N 3.05Å; G534-L538 PolarHBondContact O-N 2.89Å; G534-L538 VanDerWaalsContact O-N 3.08Å
535K68.4Low76.5Confident110 Ų11055.9 Ų55.948%0.47828%0.278SS..Hα-helixtrans-57.5-42.8-171.4-77.3-173.2-177.61750113.2Y304 Q537 L538 V539Y304-K535 PolarHBondContact OH-NZ 3.2Å; Y304-K535 VanDerWaalsContact OH-NZ 3.09Å; K535-Q537 VanDerWaalsContact C-N 3.3Å; K535-Q537 PolarHBondContact O-N 3.24Å; K535-L538 PolarHBondContact O-N 3.22Å; K535-V539 VanDerWaalsContact O-CG2 3.29Å; K535-V539 WeakPolarHBondContact O-CG2 2.91Å; K535-V539 PolarHBondContact O-N 3.37Å; K535-V539 VanDerWaalsContact O-N 3.15Å
536E72.6Confident76.1Confident14 Ų1459.2 Ų59.27%0.06529%0.294CS..Hα-helixtrans-64.5-38.7178.6-169.7-175.1-169.700110.9M309 K396 V531 T532 G534 L538 V539 S540M309-E536 VanDerWaalsContact CE-CD 3.49Å; M309-E536 HydrophobicContact CE-CG 3.91Å; M309-E536 WeakPolarHBondContact CE-OE1 3.45Å; M309-E536 HydrophobicContact SD-CB 4.1Å; M309-E536 HydrophobicContact SD-CG 3.7Å; K396-E536 WeakPolarHBondContact CE-OE2 3.39Å; K396-E536 IonicContact NZ-OE1 2.9Å; K396-E536 PolarHBondContact NZ-OE1 3.11Å; K396-E536 IonicContact NZ-OE2 3.72Å; K396-E536 PolarHBondContact NZ-OE2 3.25Å; V531-E536 HydrophobicContact CG1-CB 4.03Å; V531-E536 HydrophobicContact CG1-CG 3.79Å; T532-E536 WeakPolarHBondContact CB-OE2 3.39Å; T532-E536 PolarHBondContact N-OE2 3.07Å; T532-E536 PolarHBondContact OG1-OE2 3.33Å; G534-E536 VanDerWaalsContact C-N 3.35Å; G534-E536 PolarHBondContact O-N 3.04Å; E536-L538 VanDerWaalsContact C-N 3.3Å; E536-L538 PolarHBondContact O-N 3.3Å; E536-V539 PolarHBondContact O-N 2.88Å; E536-S540 WeakPolarHBondContact O-CB 3.28Å; E536-S540 PolarHBondContact O-N 3.13Å; E536-S540 PolarHBondContact O-OG 2.73Å
537Q77.2Confident75.2Confident65 Ų6558.9 Ų58.930%0.30430%0.295SS..Hα-helixtrans-62.2-34.7175.1-166.5-175.12.400113.2R220 V222 V531 T532 G534 K535R220-Q537 VanDerWaalsContact NH2-C 3.31Å; R220-Q537 PolarHBondContact NH2-O 3.18Å; V222-Q537 HydrophobicContact CG1-CG 4.49Å; V222-Q537 HydrophobicContact CG2-CG 4.34Å; V531-Q537 VanDerWaalsContact CG1-CA 3.43Å; V531-Q537 HydrophobicContact CG1-CB 3.92Å; V531-Q537 HydrophobicContact CG1-CG 4.48Å; T532-Q537 PolarHBondContact O-N 2.92Å; G534-Q537 WeakPolarHBondContact O-CA 3.49Å; G534-Q537 WeakPolarHBondContact O-CB 3.35Å; G534-Q537 PolarHBondContact O-N 3.05Å; K535-Q537 VanDerWaalsContact C-N 3.3Å; K535-Q537 PolarHBondContact O-N 3.24Å
538L70.3Confident74.3Confident150 Ų15062.8 Ų62.879%0.78532%0.315SS*.Hα-helixtrans-77.5-28.9179-65172.1000113G534 K535 E536G534-L538 PolarHBondContact O-N 2.89Å; G534-L538 VanDerWaalsContact O-N 3.08Å; K535-L538 PolarHBondContact O-N 3.22Å; E536-L538 VanDerWaalsContact C-N 3.3Å; E536-L538 PolarHBondContact O-N 3.3Å
539V64.8Low72.9Confident108 Ų10866.9 Ų66.966%0.65534%0.335SS*.Hα-helixtrans-94.4-23.5-173.6178.70000112.9K535 E536 F541K535-V539 VanDerWaalsContact O-CG2 3.29Å; K535-V539 WeakPolarHBondContact O-CG2 2.91Å; K535-V539 PolarHBondContact O-N 3.37Å; K535-V539 VanDerWaalsContact O-N 3.15Å; E536-V539 PolarHBondContact O-N 2.88Å; V539-F541 WeakPolarHBondContact O-CD2 2.97Å; V539-F541 PolarHBondContact O-N 3.02Å
540S55.5Low71.5Confident12 Ų1271.8 Ų71.88%0.08436%0.36CS..  trans-75.4107.6179.737.50000111.1R220 S505 E536R220-S540 PolarHBondContact NH2-OG 3.23Å; S505-S540 WeakPolarHBondContact OG-CB 3.35Å; E536-S540 WeakPolarHBondContact O-CB 3.28Å; E536-S540 PolarHBondContact O-N 3.13Å; E536-S540 PolarHBondContact O-OG 2.73Å
541F52.8Low69.9Low176 Ų17677.8 Ų77.877%0.77239%0.39SS*.  trans-71.5135.2177.4-75.4-85.9000112.1V539V539-F541 WeakPolarHBondContact O-CD2 2.97Å; V539-F541 PolarHBondContact O-N 3.02Å
542F47.9Very low68.2Low174 Ų17484.9 Ų84.976%0.76343%0.425SS*.  trans-108.90133.5-92.4-80.9000107.8V218 L512 L529V218-F542 HydrophobicContact CG1-CE1 3.82Å; V218-F542 HydrophobicContact CG1-CE2 4.33Å; V218-F542 HydrophobicContact CG1-CZ 3.34Å; L512-F542 HydrophobicContact CD2-CE1 3.99Å; L512-F542 HydrophobicContact CD2-CZ 4.14Å; L529-F542 HydrophobicContact CD2-CE2 3.87Å

Retrieved 542 of 542 residues in 184.2 ms (Link to these results)

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