A0A087XEK0_POEFO Loading...

Pre-mRNA-splicing factor 38B

May be required for pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A087XEK0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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
1M52.7Low72.8Confident221 Ų221106.7 Ų106.7100%1.08956%0.56SS**  01250-79.7177.2-17300108.2N3 R4M1-N3 PolarHBondContact O-N 3.05Å; M1-N3 VanDerWaalsContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3Å
2A61.8Low73.5Confident65 Ų6598.8 Ų98.854%0.53752%0.518SS..THydrogen-bonded Turntrans-64.2-9.8-175.400000114.8F40 Q79A2-F40 HydrophobicContact CB-CE2 4.35Å; A2-Q79 PolarHBondContact O-NE2 3.44Å
3N75.1Confident73.8Confident61 Ų6199.3 Ų99.333%0.32652%0.516SS..THydrogen-bonded Turntrans-101.86.3-177.8-57.6-19.1000113.4M1 Q18 Y30 W35M1-N3 PolarHBondContact O-N 3.05Å; M1-N3 VanDerWaalsContact O-N 3.08Å; N3-Q18 PolarHBondContact O-NE2 2.82Å; N3-Q18 VanDerWaalsContact O-NE2 3.08Å; N3-Q18 PolarHBondContact O-OE1 3.36Å; N3-Y30 HydrophobicContact CB-CD1 4.19Å; N3-Y30 HydrophobicContact CB-CE1 3.98Å; N3-Y30 HydrophobicContact CB-CE2 4.37Å; N3-Y30 HydrophobicContact CB-CG 4.48Å; N3-W35 PolarHBondContact OD1-NE1 3.22Å
4R77.3Confident74.1Confident186 Ų18697.2 Ų97.270%0.70253%0.531SS*.SBendtrans-80143.2173-169177173.1168.3-1109.1M1 Q79M1-R4 PolarHBondContact O-N 3Å; R4-Q79 PolarHBondContact O-NE2 3.37Å
5T77.3Confident74.8Confident12 Ų1294.9 Ų94.97%0.07452%0.521CS..PPolyproline II helixtrans-56.7143.2170.9-370000108.4A9 N16 P17 Q18 Q79T5-A9 HydrophobicContact CG2-CB 3.46Å; T5-A9 VanDerWaalsContact CG2-CB 3.46Å; T5-N16 PolarHBondContact OG1-ND2 3.09Å; T5-N16 VanDerWaalsContact OG1-ND2 3.09Å; T5-N16 PolarHBondContact OG1-OD1 3.28Å; T5-P17 HydrophobicContact CG2-CG 4.42Å; T5-Q18 PolarHBondContact OG1-NE2 3.29Å; T5-Q79 WeakPolarHBondContact CG2-O 3.32Å
6V77.5Confident75.5Confident63 Ų6392.2 Ų92.238%0.38251%0.506SS..PPolyproline II helixtrans-55145.4176-64.50000109.7D8 A9 Q79 I80V6-D8 PolarHBondContact O-N 3.25Å; V6-A9 HydrophobicContact CG2-CB 3.76Å; V6-A9 VanDerWaalsContact O-CB 3.26Å; V6-A9 WeakPolarHBondContact O-CB 3.23Å; V6-A9 PolarHBondContact O-N 3.15Å; V6-A9 VanDerWaalsContact O-N 3.14Å; V6-Q79 PolarHBondContact N-O 2.96Å; V6-I80 WeakPolarHBondContact CG2-O 3.41Å
7K70.6Confident76.1Confident186 Ų18687 Ų8781%0.80948%0.478SS*.THydrogen-bonded Turntrans-65.5-25.8-171.4-73.3-176.8179.8177.80112.7A9K7-A9 VanDerWaalsContact C-N 3.27Å
8D73.4Confident76.7Confident149 Ų14982.5 Ų82.580%0.79745%0.453SS*.THydrogen-bonded Turntrans-88.93.3-178.1-46.8-44.3000111.9V6V6-D8 PolarHBondContact O-N 3.25Å
9A75Confident77.3Confident24 Ų2485.6 Ų85.620%0.19846%0.458CS..PPolyproline II helixtrans-73.8127.9178.100000111.6T5 V6 K7 Q81T5-A9 HydrophobicContact CG2-CB 3.46Å; T5-A9 VanDerWaalsContact CG2-CB 3.46Å; V6-A9 HydrophobicContact CG2-CB 3.76Å; V6-A9 VanDerWaalsContact O-CB 3.26Å; V6-A9 WeakPolarHBondContact O-CB 3.23Å; V6-A9 PolarHBondContact O-N 3.15Å; V6-A9 VanDerWaalsContact O-N 3.14Å; K7-A9 VanDerWaalsContact C-N 3.27Å; A9-Q81 VanDerWaalsContact C-OE1 3.29Å; A9-Q81 HydrophobicContact CB-CB 4.38Å
10N78.8Confident77.8Confident119 Ų11982.6 Ų82.664%0.63644%0.441SS*.PPolyproline II helixtrans-72.1147.2173.1-70.2-28.8000110.9I12 P17 Q81N10-I12 PolarHBondContact O-N 3.47Å; N10-P17 WeakPolarHBondContact O-CG 3.44Å; N10-Q81 PolarHBondContact O-OE1 3.16Å
11S81.7Confident78.4Confident88 Ų8878.6 Ų78.662%0.61542%0.42SS*.PPolyproline II helixtrans-65.4129169.656.50000110T15S11-T15 CarbonylContact C-O 3.49Å; S11-T15 WeakPolarHBondContact CA-O 3.42Å; S11-T15 WeakPolarHBondContact CB-O 3.49Å
12I81.1Confident80.2Confident11 Ų1171.1 Ų71.16%0.05638%0.383CS..BIsolated β-bridgetrans-103.4129.5178.2-64.3170.7000107.6N10 G14 T15 P17 L20 T110N10-I12 PolarHBondContact O-N 3.47Å; I12-G14 PolarHBondContact O-N 3.48Å; I12-G14 VanDerWaalsContact O-N 3.15Å; I12-T15 PolarHBondContact N-O 3.07Å; I12-T15 PolarHBondContact O-N 3.45Å; I12-T15 VanDerWaalsContact O-O 3.11Å; I12-T15 PolarHBondContact O-OG1 3.12Å; I12-P17 HydrophobicContact CB-CG 4.24Å; I12-P17 HydrophobicContact CD1-CB 3.68Å; I12-P17 HydrophobicContact CD1-CG 3.62Å; I12-P17 HydrophobicContact CG1-CB 4.32Å; I12-P17 HydrophobicContact CG1-CG 3.82Å; I12-L20 HydrophobicContact CG2-CD1 4.21Å; I12-T110 HydrophobicContact CD1-CG2 3.47Å; I12-T110 VanDerWaalsContact CD1-CG2 3.47Å; I12-T110 HydrophobicContact CG2-CG2 4.27Å
13H77.6Confident81.6Confident106 Ų10675.5 Ų75.549%0.49139%0.39SS..THydrogen-bonded Turntrans5037.2-174.6-56.7-61.6000113.8T15 L109H13-T15 PolarHBondContact O-N 2.86Å; H13-L109 PolarHBondContact NE2-O 3.48Å
14G78.1Confident82.4Confident70 Ų7077.6 Ų77.672%0.72240%0.4SS*.THydrogen-bonded Turntrans7110.6179.700000114.9I12I12-G14 PolarHBondContact O-N 3.48Å; I12-G14 VanDerWaalsContact O-N 3.15Å
15T84.3Confident83Confident63 Ų6369.1 Ų69.139%0.38737%0.368SS..BIsolated β-bridgetrans-130.6172.717866.40000111.6S11 I12 H13S11-T15 CarbonylContact C-O 3.49Å; S11-T15 WeakPolarHBondContact CA-O 3.42Å; S11-T15 WeakPolarHBondContact CB-O 3.49Å; I12-T15 PolarHBondContact N-O 3.07Å; I12-T15 PolarHBondContact O-N 3.45Å; I12-T15 VanDerWaalsContact O-O 3.11Å; I12-T15 PolarHBondContact O-OG1 3.12Å; H13-T15 PolarHBondContact O-N 2.86Å
16N85.1Confident83.7Confident51 Ų5170.1 Ų70.127%0.27337%0.371SS..  trans-64.5131.4171.2-173.5-48.1000108.7T5 Q18 Y19T5-N16 PolarHBondContact OG1-ND2 3.09Å; T5-N16 VanDerWaalsContact OG1-ND2 3.09Å; T5-N16 PolarHBondContact OG1-OD1 3.28Å; N16-Q18 PolarHBondContact O-N 3.4Å; N16-Q18 PolarHBondContact OD1-N 2.92Å; N16-Y19 HydrophobicContact CB-CD1 4.19Å; N16-Y19 HydrophobicContact CB-CD2 3.74Å; N16-Y19 HydrophobicContact CB-CE1 4.37Å; N16-Y19 HydrophobicContact CB-CE2 3.94Å; N16-Y19 HydrophobicContact CB-CG 3.88Å; N16-Y19 WeakPolarHBondContact O-CA 3.36Å; N16-Y19 VanDerWaalsContact O-CB 3.31Å; N16-Y19 WeakPolarHBondContact O-CB 3.32Å; N16-Y19 PolarHBondContact O-N 2.67Å
17P85.7Confident84.4Confident4 Ų470.1 Ų70.13%0.02637%0.371CS..G310 helixtrans-48.7-37.4178.1-31.636.2000114.5T5 N10 I12 Y19 L20 L78T5-P17 HydrophobicContact CG2-CG 4.42Å; N10-P17 WeakPolarHBondContact O-CG 3.44Å; I12-P17 HydrophobicContact CB-CG 4.24Å; I12-P17 HydrophobicContact CD1-CB 3.68Å; I12-P17 HydrophobicContact CD1-CG 3.62Å; I12-P17 HydrophobicContact CG1-CB 4.32Å; I12-P17 HydrophobicContact CG1-CG 3.82Å; P17-Y19 PolarHBondContact O-N 3.29Å; P17-L20 WeakPolarHBondContact O-CG 3.44Å; P17-L20 PolarHBondContact O-N 3.45Å; P17-L78 HydrophobicContact CB-CB 4.47Å; P17-L78 VanDerWaalsContact CB-O 3.27Å; P17-L78 WeakPolarHBondContact CB-O 3.31Å
18Q87Confident85.4Confident6 Ų665.4 Ų65.43%0.02835%0.348CS..G310 helixtrans-66.5-24178.4-65.5-167.162.500112.4N3 T5 N16 L20 V21 R26 Y30 L75 Q79N3-Q18 PolarHBondContact O-NE2 2.82Å; N3-Q18 VanDerWaalsContact O-NE2 3.08Å; N3-Q18 PolarHBondContact O-OE1 3.36Å; T5-Q18 PolarHBondContact OG1-NE2 3.29Å; N16-Q18 PolarHBondContact O-N 3.4Å; N16-Q18 PolarHBondContact OD1-N 2.92Å; Q18-L20 PolarHBondContact O-N 3.02Å; Q18-V21 PolarHBondContact O-N 2.76Å; Q18-R26 WeakPolarHBondContact O-CD 3.06Å; Q18-Y30 PolarHBondContact OE1-OH 2.73Å; Q18-L75 HydrophobicContact CB-CD1 4.36Å; Q18-L75 HydrophobicContact CG-CD1 4.46Å; Q18-Q79 HydrophobicContact CG-CB 4.42Å
19Y89.1Confident86.3Confident142 Ų14258.3 Ų58.356%0.55731%0.31SS*.G310 helixtrans-74.1-9.8-176.3-65.7-6.6000114.5N16 P17 V21 R26N16-Y19 HydrophobicContact CB-CD1 4.19Å; N16-Y19 HydrophobicContact CB-CD2 3.74Å; N16-Y19 HydrophobicContact CB-CE1 4.37Å; N16-Y19 HydrophobicContact CB-CE2 3.94Å; N16-Y19 HydrophobicContact CB-CG 3.88Å; N16-Y19 WeakPolarHBondContact O-CA 3.36Å; N16-Y19 VanDerWaalsContact O-CB 3.31Å; N16-Y19 WeakPolarHBondContact O-CB 3.32Å; N16-Y19 PolarHBondContact O-N 2.67Å; P17-Y19 PolarHBondContact O-N 3.29Å; Y19-V21 PolarHBondContact O-N 2.99Å; Y19-R26 VanDerWaalsContact CD1-CZ 3.47Å
20L87.5Confident87Confident24 Ų2459.4 Ų59.413%0.12631%0.31CS..G310 helixtrans-60.2-29.8168.4-61.3177.9000112I12 P17 Q18 L78 L109 P163I12-L20 HydrophobicContact CG2-CD1 4.21Å; P17-L20 WeakPolarHBondContact O-CG 3.44Å; P17-L20 PolarHBondContact O-N 3.45Å; Q18-L20 PolarHBondContact O-N 3.02Å; L20-L78 HydrophobicContact CB-CD1 4.43Å; L20-L78 HydrophobicContact CD1-CD2 3.99Å; L20-L109 HydrophobicContact CD1-CB 4.16Å; L20-L109 WeakPolarHBondContact CD1-O 3.34Å; L20-P163 HydrophobicContact CD2-CG 4.18Å
21V90.3Very high87.6Confident0 Ų058.6 Ų58.60%030%0.302CS..SBendtrans-90.2132.1173.5-177.60000110Q18 Y19 I25 R26 I29 L75 L78 I160Q18-V21 PolarHBondContact O-N 2.76Å; Y19-V21 PolarHBondContact O-N 2.99Å; V21-I25 HydrophobicContact CG1-CB 3.86Å; V21-I25 HydrophobicContact CG1-CG2 3.59Å; V21-R26 HydrophobicContact CB-CG 3.83Å; V21-R26 HydrophobicContact CG1-CG 3.77Å; V21-R26 WeakPolarHBondContact O-CD 3.27Å; V21-R26 PolarHBondContact O-NH1 2.94Å; V21-I29 HydrophobicContact CG1-CD1 4.32Å; V21-L75 HydrophobicContact CB-CD1 4.07Å; V21-L75 HydrophobicContact CG2-CD1 3.82Å; V21-L78 HydrophobicContact CG2-CD1 3.94Å; V21-I160 HydrophobicContact CG2-CD1 3.97Å; V21-I160 HydrophobicContact CG2-CG1 4.16Å
22E90.8Very high88Confident63 Ų6355.2 Ų55.229%0.29428%0.278SS..  trans-55.1144.1-179.4-67-177.1-169.600112.8I24 I25 R26 R156E22-I24 VanDerWaalsContact C-N 3.27Å; E22-I24 PolarHBondContact O-N 3.31Å; E22-I24 VanDerWaalsContact O-N 3.17Å; E22-I25 HydrophobicContact CB-CD1 4.15Å; E22-I25 HydrophobicContact CB-CG1 4.28Å; E22-I25 PolarHBondContact O-N 3.26Å; E22-R26 WeakPolarHBondContact O-CG 3.26Å; E22-R26 PolarHBondContact O-N 2.94Å; E22-R156 IonicContact OE1-CZ 3.71Å; E22-R156 IonicContact OE1-NH1 3.69Å; E22-R156 PolarHBondContact OE1-NH1 3.04Å; E22-R156 IonicContact OE1-NH2 2.77Å; E22-R156 PolarHBondContact OE1-NH2 3.35Å
23K90.1Very high88.5Confident157 Ų15761.9 Ų61.968%0.68331%0.307SS*.Hα-helixtrans-55.4-38.8-175.4-177.5-178.6176.8-177.10113.6T27K23-T27 PolarHBondContact O-N 3.18Å; K23-T27 VanDerWaalsContact O-N 3.12Å; K23-T27 PolarHBondContact O-OG1 3.18Å
24I91.3Very high89.1Confident106 Ų10659.1 Ų59.154%0.54429%0.292SS..Hα-helixtrans-63.4-47.6179.8-60172.6000109.3E22 T27 R28 I65E22-I24 VanDerWaalsContact C-N 3.27Å; E22-I24 PolarHBondContact O-N 3.31Å; E22-I24 VanDerWaalsContact O-N 3.17Å; I24-T27 PolarHBondContact O-N 3.4Å; I24-R28 WeakPolarHBondContact O-CG 3.21Å; I24-R28 PolarHBondContact O-N 3.07Å; I24-R28 VanDerWaalsContact O-N 3.12Å; I24-I65 HydrophobicContact CG2-CD1 4.06Å
25I91Very high89.8Confident7 Ų756.3 Ų56.34%0.03626%0.26CS..Hα-helixtrans-63.9-45.6-180-60.7177.6000110.6V21 E22 T27 R28 I29 V60 L71 D159V21-I25 HydrophobicContact CG1-CB 3.86Å; V21-I25 HydrophobicContact CG1-CG2 3.59Å; E22-I25 HydrophobicContact CB-CD1 4.15Å; E22-I25 HydrophobicContact CB-CG1 4.28Å; E22-I25 PolarHBondContact O-N 3.26Å; I25-T27 VanDerWaalsContact C-N 3.3Å; I25-T27 PolarHBondContact O-N 3.48Å; I25-R28 CarbonylContact O-C 3.58Å; I25-R28 WeakPolarHBondContact O-CB 3.33Å; I25-R28 PolarHBondContact O-N 2.86Å; I25-R28 VanDerWaalsContact O-N 3.1Å; I25-I29 HydrophobicContact CG2-CD1 3.72Å; I25-I29 HydrophobicContact CG2-CG1 4.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.31Å; I25-I29 PolarHBondContact O-N 3.2Å; I25-V60 HydrophobicContact CD1-CG1 4.44Å; I25-V60 HydrophobicContact CG1-CG1 4.29Å; I25-V60 HydrophobicContact CG2-CG1 4.01Å; I25-L71 HydrophobicContact CG2-CD2 3.67Å; I25-D159 HydrophobicContact CD1-CB 3.75Å; I25-D159 VanDerWaalsContact CD1-O 3.28Å; I25-D159 WeakPolarHBondContact CD1-O 2.86Å
26R91.8Very high90Very high33 Ų3359.4 Ų59.413%0.12527%0.268CS..Hα-helixtrans-57.3-43.8176.9-64.1-168.8-47.1-111.811.1112.8Q18 Y19 V21 E22 R28 I29 Y30 L75Q18-R26 WeakPolarHBondContact O-CD 3.06Å; Y19-R26 VanDerWaalsContact CD1-CZ 3.47Å; V21-R26 HydrophobicContact CB-CG 3.83Å; V21-R26 HydrophobicContact CG1-CG 3.77Å; V21-R26 WeakPolarHBondContact O-CD 3.27Å; V21-R26 PolarHBondContact O-NH1 2.94Å; E22-R26 WeakPolarHBondContact O-CG 3.26Å; E22-R26 PolarHBondContact O-N 2.94Å; R26-R28 VanDerWaalsContact C-N 3.3Å; R26-R28 PolarHBondContact O-N 3.03Å; R26-I29 PolarHBondContact O-N 3.45Å; R26-Y30 HydrophobicContact CB-CE2 4.11Å; R26-Y30 VanDerWaalsContact O-CD2 3.23Å; R26-Y30 WeakPolarHBondContact O-CD2 3.46Å; R26-Y30 VanDerWaalsContact O-CG 3.26Å; R26-Y30 PolarHBondContact O-N 2.9Å; R26-L75 HydrophobicContact CG-CD1 4.23Å; R26-L75 HydrophobicContact CG-CD2 4.35Å
27T91.6Very high90.2Very high63 Ų6362.4 Ų62.439%0.38728%0.281SS..Hα-helixtrans-61.2-43.1178.4-510000110.4K23 I24 I25 Y30 E31K23-T27 PolarHBondContact O-N 3.18Å; K23-T27 VanDerWaalsContact O-N 3.12Å; K23-T27 PolarHBondContact O-OG1 3.18Å; I24-T27 PolarHBondContact O-N 3.4Å; I25-T27 VanDerWaalsContact C-N 3.3Å; I25-T27 PolarHBondContact O-N 3.48Å; T27-Y30 PolarHBondContact O-N 3.22Å; T27-E31 WeakPolarHBondContact O-CG 3.37Å; T27-E31 PolarHBondContact O-N 3.16Å; T27-E31 VanDerWaalsContact O-N 3.13Å
28R92.1Very high90.3Very high87 Ų8765 Ų6533%0.32829%0.292SS..Hα-helixtrans-65.7-36.3175-66.7-55.7-170.4-163.45.4113.5I24 I25 R26 E31 S32 I65I24-R28 WeakPolarHBondContact O-CG 3.21Å; I24-R28 PolarHBondContact O-N 3.07Å; I24-R28 VanDerWaalsContact O-N 3.12Å; I25-R28 CarbonylContact O-C 3.58Å; I25-R28 WeakPolarHBondContact O-CB 3.33Å; I25-R28 PolarHBondContact O-N 2.86Å; I25-R28 VanDerWaalsContact O-N 3.1Å; R26-R28 VanDerWaalsContact C-N 3.3Å; R26-R28 PolarHBondContact O-N 3.03Å; R28-E31 IonicContact NH1-OE2 2.9Å; R28-E31 PolarHBondContact NH1-OE2 3.45Å; R28-E31 PolarHBondContact O-N 3.25Å; R28-S32 PolarHBondContact O-N 2.81Å; R28-I65 HydrophobicContact CG-CB 4.3Å; R28-I65 HydrophobicContact CG-CG2 4.31Å
29I92.2Very high90.1Very high0 Ų064.8 Ų64.80%029%0.291CS..Hα-helixtrans-62.4-50.7174.3-66.9164.5000110.4V21 I25 R26 E31 S32 W35 P67 L71 C72 L75V21-I29 HydrophobicContact CG1-CD1 4.32Å; I25-I29 HydrophobicContact CG2-CD1 3.72Å; I25-I29 HydrophobicContact CG2-CG1 4.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.31Å; I25-I29 PolarHBondContact O-N 3.2Å; R26-I29 PolarHBondContact O-N 3.45Å; I29-E31 PolarHBondContact O-N 3.14Å; I29-S32 VanDerWaalsContact O-CB 3.27Å; I29-S32 WeakPolarHBondContact O-CB 3.4Å; I29-S32 PolarHBondContact O-N 3Å; I29-S32 PolarHBondContact O-OG 3.09Å; I29-W35 HydrophobicContact CG2-CB 4.41Å; I29-W35 HydrophobicContact CG2-CD2 3.87Å; I29-W35 HydrophobicContact CG2-CE3 3.37Å; I29-W35 HydrophobicContact CG2-CG 4.33Å; I29-W35 HydrophobicContact CG2-CZ3 3.9Å; I29-W35 WeakPolarHBondContact O-CB 3.22Å; I29-P67 HydrophobicContact CB-CG 4.48Å; I29-P67 HydrophobicContact CG1-CB 3.58Å; I29-P67 HydrophobicContact CG1-CG 3.89Å; I29-L71 HydrophobicContact CD1-CD2 4.16Å; I29-L71 HydrophobicContact CD1-CG 3.98Å; I29-C72 HydrophobicContact CG2-CB 4.3Å; I29-L75 HydrophobicContact CB-CD2 3.89Å; I29-L75 HydrophobicContact CD1-CB 4.1Å; I29-L75 HydrophobicContact CD1-CD2 3.71Å; I29-L75 HydrophobicContact CD1-CG 4.46Å; I29-L75 HydrophobicContact CG1-CD2 4.41Å; I29-L75 HydrophobicContact CG2-CD2 3.6Å
30Y90.7Very high90Very high48 Ų4865.2 Ų65.219%0.18830%0.297CS..Hα-helixtrans-63.1-28.7179.5-55.6-34.3000113.7N3 Q18 R26 T27 W35 K36 L75N3-Y30 HydrophobicContact CB-CD1 4.19Å; N3-Y30 HydrophobicContact CB-CE1 3.98Å; N3-Y30 HydrophobicContact CB-CE2 4.37Å; N3-Y30 HydrophobicContact CB-CG 4.48Å; Q18-Y30 PolarHBondContact OE1-OH 2.73Å; R26-Y30 HydrophobicContact CB-CE2 4.11Å; R26-Y30 VanDerWaalsContact O-CD2 3.23Å; R26-Y30 WeakPolarHBondContact O-CD2 3.46Å; R26-Y30 VanDerWaalsContact O-CG 3.26Å; R26-Y30 PolarHBondContact O-N 2.9Å; T27-Y30 PolarHBondContact O-N 3.22Å; Y30-W35 HydrophobicContact CD1-CD2 4.27Å; Y30-W35 AromaticContact CD1-CE2 3.66Å; Y30-W35 AromaticContact CD1-CZ2 3.83Å; Y30-W35 HydrophobicContact CD1-CZ2 3.83Å; Y30-W35 AromaticContact CD1-NE1 3.7Å; Y30-W35 HydrophobicContact CE1-CH2 4.28Å; Y30-W35 AromaticContact CE1-CZ2 3.81Å; Y30-W35 HydrophobicContact CE1-CZ2 3.81Å; Y30-K36 VanDerWaalsContact O-CE 3.3Å; Y30-K36 WeakPolarHBondContact O-CE 3.15Å; Y30-L75 HydrophobicContact CD1-CD2 4.41Å; Y30-L75 HydrophobicContact CE1-CD2 3.74Å
31E90.4Very high89.6Confident101 Ų10167 Ų6747%0.47232%0.32SS..Hα-helixtrans-79-22.1176-73.9174.6177.900113.2T27 R28 I29 K36T27-E31 WeakPolarHBondContact O-CG 3.37Å; T27-E31 PolarHBondContact O-N 3.16Å; T27-E31 VanDerWaalsContact O-N 3.13Å; R28-E31 IonicContact NH1-OE2 2.9Å; R28-E31 PolarHBondContact NH1-OE2 3.45Å; R28-E31 PolarHBondContact O-N 3.25Å; I29-E31 PolarHBondContact O-N 3.14Å; E31-K36 PolarHBondContact O-NZ 2.79Å
32S91.2Very high89.4Confident18 Ų1867.7 Ų67.713%0.12632%0.324CS..SBendtrans-62.9149.6-174.378.60000112.6R28 I29 W35 K36R28-S32 PolarHBondContact O-N 2.81Å; I29-S32 VanDerWaalsContact O-CB 3.27Å; I29-S32 WeakPolarHBondContact O-CB 3.4Å; I29-S32 PolarHBondContact O-N 3Å; I29-S32 PolarHBondContact O-OG 3.09Å; S32-W35 PolarHBondContact O-N 3.25Å; S32-W35 VanDerWaalsContact OG-CB 3.24Å; S32-W35 WeakPolarHBondContact OG-CB 3.33Å; S32-W35 PolarHBondContact OG-N 2.86Å; S32-W35 VanDerWaalsContact OG-N 3.15Å; S32-K36 PolarHBondContact O-N 3.41Å
33K91Very high89.1Confident150 Ų15068 Ų6865%0.65233%0.33SS*.Hα-helixtrans-62.3-46177-174-179.3178-167.70110.9W35 K36 E37K33-W35 VanDerWaalsContact C-N 3.32Å; K33-W35 PolarHBondContact O-N 2.77Å; K33-K36 PolarHBondContact O-N 3.26Å; K33-K36 VanDerWaalsContact O-N 3.16Å; K33-E37 WeakPolarHBondContact CE-OE1 3.21Å; K33-E37 WeakPolarHBondContact CE-OE2 3.03Å; K33-E37 HydrophobicContact CG-CG 4.4Å; K33-E37 IonicContact NZ-OE1 3.79Å; K33-E37 IonicContact NZ-OE2 3.91Å; K33-E37 PolarHBondContact O-N 3.41Å
34Y90.9Very high88.7Confident48 Ų4861.9 Ų61.919%0.18831%0.309CS..Hα-helixtrans-58.3-42.9-179.9-171.4-94.2000111.9K36 E37 E38 C39 P69 C72 L73Y34-K36 VanDerWaalsContact C-N 3.34Å; Y34-K36 PolarHBondContact O-N 2.77Å; Y34-E37 PolarHBondContact O-N 3.09Å; Y34-E38 HydrophobicContact CD1-CB 4.37Å; Y34-E38 HydrophobicContact CD2-CB 4.13Å; Y34-E38 HydrophobicContact CD2-CG 3.74Å; Y34-E38 HydrophobicContact CE1-CB 4.14Å; Y34-E38 HydrophobicContact CE2-CB 3.88Å; Y34-E38 HydrophobicContact CE2-CG 3.64Å; Y34-E38 HydrophobicContact CG-CB 4.37Å; Y34-E38 HydrophobicContact CG-CG 4.35Å; Y34-E38 WeakPolarHBondContact O-CA 3.33Å; Y34-E38 WeakPolarHBondContact O-CB 3.25Å; Y34-E38 PolarHBondContact O-N 3.33Å; Y34-C39 PolarHBondContact O-N 3.03Å; Y34-P69 HydrophobicContact CD1-CB 4.27Å; Y34-P69 HydrophobicContact CD2-CB 4.16Å; Y34-P69 HydrophobicContact CD2-CG 4.3Å; Y34-P69 HydrophobicContact CE1-CB 4.02Å; Y34-P69 HydrophobicContact CE2-CB 3.91Å; Y34-P69 HydrophobicContact CE2-CG 4.41Å; Y34-P69 HydrophobicContact CG-CB 4.34Å; Y34-C72 HydrophobicContact CD1-CB 3.64Å; Y34-C72 HydrophobicContact CE1-CB 4.06Å; Y34-L73 HydrophobicContact CE1-CD2 4.17Å; Y34-L73 HydrophobicContact CE1-CG 4.08Å
35W91.2Very high88.2Confident11 Ų1164.5 Ų64.54%0.04232%0.319CS..Hα-helixtrans-62.8-40.2177.8-176.8-92.2000113.5N3 I29 Y30 S32 K33 C39 F40 C72 L75 K76N3-W35 PolarHBondContact OD1-NE1 3.22Å; I29-W35 HydrophobicContact CG2-CB 4.41Å; I29-W35 HydrophobicContact CG2-CD2 3.87Å; I29-W35 HydrophobicContact CG2-CE3 3.37Å; I29-W35 HydrophobicContact CG2-CG 4.33Å; I29-W35 HydrophobicContact CG2-CZ3 3.9Å; I29-W35 WeakPolarHBondContact O-CB 3.22Å; Y30-W35 HydrophobicContact CD1-CD2 4.27Å; Y30-W35 AromaticContact CD1-CE2 3.66Å; Y30-W35 AromaticContact CD1-CZ2 3.83Å; Y30-W35 HydrophobicContact CD1-CZ2 3.83Å; Y30-W35 AromaticContact CD1-NE1 3.7Å; Y30-W35 HydrophobicContact CE1-CH2 4.28Å; Y30-W35 AromaticContact CE1-CZ2 3.81Å; Y30-W35 HydrophobicContact CE1-CZ2 3.81Å; S32-W35 PolarHBondContact O-N 3.25Å; S32-W35 VanDerWaalsContact OG-CB 3.24Å; S32-W35 WeakPolarHBondContact OG-CB 3.33Å; S32-W35 PolarHBondContact OG-N 2.86Å; S32-W35 VanDerWaalsContact OG-N 3.15Å; K33-W35 VanDerWaalsContact C-N 3.32Å; K33-W35 PolarHBondContact O-N 2.77Å; W35-C39 HydrophobicContact CB-CB 4.5Å; W35-C39 HydrophobicContact CD2-CB 3.76Å; W35-C39 HydrophobicContact CE3-CB 3.55Å; W35-C39 HydrophobicContact CG-CB 4.2Å; W35-C39 HydrophobicContact CZ3-CB 4.03Å; W35-C39 CarbonylContact O-C 3.48Å; W35-C39 WeakPolarHBondContact O-CA 3.37Å; W35-C39 WeakPolarHBondContact O-CB 3.2Å; W35-C39 PolarHBondContact O-N 3.06Å; W35-F40 PolarHBondContact O-N 3.29Å; W35-C72 HydrophobicContact CE3-CB 4.47Å; W35-C72 WeakPolarHBondContact CZ3-O 3.42Å; W35-L75 HydrophobicContact CH2-CD2 4.27Å; W35-L75 HydrophobicContact CH2-CG 4.32Å; W35-L75 HydrophobicContact CZ3-CB 4.25Å; W35-L75 HydrophobicContact CZ3-CD2 4.19Å; W35-L75 HydrophobicContact CZ3-CG 4.29Å; W35-K76 HydrophobicContact CH2-CB 4.19Å; W35-K76 HydrophobicContact CH2-CD 3.97Å; W35-K76 HydrophobicContact CZ3-CB 3.86Å; W35-K76 HydrophobicContact CZ3-CD 4.34Å
36K88.9Confident88Confident129 Ų12968 Ų6856%0.56134%0.337SS*.Hα-helixtrans-75.5-30.3-176.7-69.5174.5-179165.80113.1Y30 E31 S32 K33 Y34 F40Y30-K36 VanDerWaalsContact O-CE 3.3Å; Y30-K36 WeakPolarHBondContact O-CE 3.15Å; E31-K36 PolarHBondContact O-NZ 2.79Å; S32-K36 PolarHBondContact O-N 3.41Å; K33-K36 PolarHBondContact O-N 3.26Å; K33-K36 VanDerWaalsContact O-N 3.16Å; Y34-K36 VanDerWaalsContact C-N 3.34Å; Y34-K36 PolarHBondContact O-N 2.77Å; K36-F40 WeakPolarHBondContact O-CB 3.29Å
37E89.9Confident87.8Confident114 Ų11466.5 Ų66.553%0.53333%0.331SS..Hα-helixtrans-92.3-50.4-179.1-67.9177.8176.800111.3K33 Y34K33-E37 WeakPolarHBondContact CE-OE1 3.21Å; K33-E37 WeakPolarHBondContact CE-OE2 3.03Å; K33-E37 HydrophobicContact CG-CG 4.4Å; K33-E37 IonicContact NZ-OE1 3.79Å; K33-E37 IonicContact NZ-OE2 3.91Å; K33-E37 PolarHBondContact O-N 3.41Å; Y34-E37 PolarHBondContact O-N 3.09Å
38E86.6Confident87.6Confident58 Ų5865.3 Ų65.327%0.27132%0.324SS..THydrogen-bonded Turntrans-100.8-31.4-167.6-55.1-64.216800113.1Y34 K50Y34-E38 HydrophobicContact CD1-CB 4.37Å; Y34-E38 HydrophobicContact CD2-CB 4.13Å; Y34-E38 HydrophobicContact CD2-CG 3.74Å; Y34-E38 HydrophobicContact CE1-CB 4.14Å; Y34-E38 HydrophobicContact CE2-CB 3.88Å; Y34-E38 HydrophobicContact CE2-CG 3.64Å; Y34-E38 HydrophobicContact CG-CB 4.37Å; Y34-E38 HydrophobicContact CG-CG 4.35Å; Y34-E38 WeakPolarHBondContact O-CA 3.33Å; Y34-E38 WeakPolarHBondContact O-CB 3.25Å; Y34-E38 PolarHBondContact O-N 3.33Å; E38-K50 HydrophobicContact CB-CD 4.35Å; E38-K50 WeakPolarHBondContact OE2-CD 3.48Å; E38-K50 WeakPolarHBondContact OE2-CE 3.07Å; E38-K50 IonicContact OE2-NZ 3.68Å; E38-K50 PolarHBondContact OE2-NZ 3.27Å
39C84.8Confident87.4Confident1 Ų164.7 Ų64.71%0.00733%0.328CS..SBendtrans-92-0.8179.5-53.20000113.5Y34 W35 G41 K76Y34-C39 PolarHBondContact O-N 3.03Å; W35-C39 HydrophobicContact CB-CB 4.5Å; W35-C39 HydrophobicContact CD2-CB 3.76Å; W35-C39 HydrophobicContact CE3-CB 3.55Å; W35-C39 HydrophobicContact CG-CB 4.2Å; W35-C39 HydrophobicContact CZ3-CB 4.03Å; W35-C39 CarbonylContact O-C 3.48Å; W35-C39 WeakPolarHBondContact O-CA 3.37Å; W35-C39 WeakPolarHBondContact O-CB 3.2Å; W35-C39 PolarHBondContact O-N 3.06Å; C39-G41 PolarHBondContact O-N 2.67Å; C39-K76 HydrophobicContact CB-CD 4.36Å; C39-K76 HydrophobicContact CB-CG 4.44Å; C39-K76 VanDerWaalsContact O-CE 3.31Å; C39-K76 WeakPolarHBondContact O-CE 3.48Å; C39-K76 PolarHBondContact O-NZ 2.83Å
40F85.1Confident87.3Confident152 Ų15266.6 Ų66.667%0.66734%0.336SS*.THydrogen-bonded Turntrans-73.5119.9178.8-174.3-97.5000110.5A2 W35 K36 L42A2-F40 HydrophobicContact CB-CE2 4.35Å; W35-F40 PolarHBondContact O-N 3.29Å; K36-F40 WeakPolarHBondContact O-CB 3.29Å; F40-L42 PolarHBondContact O-N 3.49Å; F40-L42 VanDerWaalsContact O-N 3.15Å
41G81.1Confident87.3Confident60 Ų6064.3 Ų64.362%0.61933%0.327SS*.THydrogen-bonded Turntrans68.37.5179.200000115.7C39 T43C39-G41 PolarHBondContact O-N 2.67Å; G41-T43 PolarHBondContact O-N 3.32Å
42L85Confident87.2Confident16 Ų1662.9 Ų62.98%0.08432%0.321CS..  trans-63.2127.7-178.7-145.966.2000111.3F40 L46 V47 K50 L73 K76F40-L42 PolarHBondContact O-N 3.49Å; F40-L42 VanDerWaalsContact O-N 3.15Å; L42-L46 HydrophobicContact CD1-CB 3.69Å; L42-L46 HydrophobicContact CG-CB 4.16Å; L42-V47 HydrophobicContact CD2-CB 4.49Å; L42-V47 HydrophobicContact CD2-CG2 3.75Å; L42-V47 HydrophobicContact CG-CG2 4.09Å; L42-K50 HydrophobicContact CD1-CG 4.1Å; L42-K50 HydrophobicContact CD2-CB 4.39Å; L42-K50 HydrophobicContact CD2-CG 4.11Å; L42-L73 HydrophobicContact CD2-CD2 4.04Å; L42-K76 HydrophobicContact CB-CG 4.36Å; L42-K76 HydrophobicContact CD2-CG 4.38Å; L42-K76 WeakPolarHBondContact O-CE 3.44Å; L42-K76 PolarHBondContact O-NZ 3.01Å
43T85.3Confident87.2Confident69 Ų6967.4 Ų67.442%0.42334%0.34SS..  trans-96168.5174.256.80000110.7G41 E45 L46 V47G41-T43 PolarHBondContact O-N 3.32Å; T43-E45 VanDerWaalsContact C-N 3.26Å; T43-E45 PolarHBondContact O-N 2.92Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 WeakPolarHBondContact OG1-CG 3.44Å; T43-V47 WeakPolarHBondContact O-CG2 3.25Å; T43-V47 PolarHBondContact O-N 2.9Å
44A80.4Confident87.2Confident28 Ų2860.8 Ų60.823%0.23131%0.312CS..Hα-helixtrans-56.8-38.6-179.600000113V47 I80 P82 I86A44-V47 PolarHBondContact O-N 3.04Å; A44-I80 HydrophobicContact CB-CD1 4.38Å; A44-P82 HydrophobicContact CB-CB 4.19Å; A44-I86 HydrophobicContact CB-CD1 4.12Å
45E80.3Confident87.2Confident161 Ų16165.7 Ų65.775%0.75233%0.334SS*.Hα-helixtrans-64.7-47177.7-63.4175175.300111.8T43 V47 V48T43-E45 VanDerWaalsContact C-N 3.26Å; T43-E45 PolarHBondContact O-N 2.92Å; E45-V47 PolarHBondContact O-N 3.46Å; E45-V48 VanDerWaalsContact O-CG1 3.25Å; E45-V48 WeakPolarHBondContact O-CG1 3.47Å; E45-V48 PolarHBondContact O-N 2.94Å
46L86.8Confident87.2Confident80 Ų8067.2 Ų67.242%0.41934%0.341SS..Hα-helixtrans-75.3-10.3-176.4-61.9175.4000113.7L42 T43 V48 D49L42-L46 HydrophobicContact CD1-CB 3.69Å; L42-L46 HydrophobicContact CG-CB 4.16Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 WeakPolarHBondContact OG1-CG 3.44Å; L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 2.77Å; L46-D49 PolarHBondContact O-N 2.59Å
47V88.3Confident87.4Confident2 Ų261 Ų611%0.01231%0.314CS..Hα-helixtrans-64.3-34.8174.8167.30000110.9L42 T43 A44 E45 D49 K50 A51 M77 I80 F90L42-V47 HydrophobicContact CD2-CB 4.49Å; L42-V47 HydrophobicContact CD2-CG2 3.75Å; L42-V47 HydrophobicContact CG-CG2 4.09Å; T43-V47 WeakPolarHBondContact O-CG2 3.25Å; T43-V47 PolarHBondContact O-N 2.9Å; A44-V47 PolarHBondContact O-N 3.04Å; E45-V47 PolarHBondContact O-N 3.46Å; V47-D49 VanDerWaalsContact C-N 3.32Å; V47-D49 PolarHBondContact O-N 2.86Å; V47-K50 PolarHBondContact O-N 2.96Å; V47-A51 VanDerWaalsContact O-CB 3.28Å; V47-A51 WeakPolarHBondContact O-CB 3.38Å; V47-A51 PolarHBondContact O-N 2.76Å; V47-M77 HydrophobicContact CG1-CG 3.94Å; V47-M77 HydrophobicContact CG1-SD 4.16Å; V47-I80 HydrophobicContact CG2-CD1 3.62Å; V47-F90 HydrophobicContact CG1-CE2 4.17Å
48V86.8Confident87.5Confident39 Ų3955.8 Ų55.824%0.23629%0.29CS..Hα-helixtrans-62.3-42-178.877.50000111.2E45 L46 K50 A51 M52 F90E45-V48 VanDerWaalsContact O-CG1 3.25Å; E45-V48 WeakPolarHBondContact O-CG1 3.47Å; E45-V48 PolarHBondContact O-N 2.94Å; L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 2.77Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.05Å; V48-A51 PolarHBondContact O-N 3.09Å; V48-A51 VanDerWaalsContact O-N 3.13Å; V48-M52 WeakPolarHBondContact O-CG 3.28Å; V48-M52 PolarHBondContact O-N 2.91Å; V48-F90 HydrophobicContact CB-CE1 3.96Å; V48-F90 HydrophobicContact CB-CZ 3.99Å; V48-F90 HydrophobicContact CG2-CE1 3.88Å; V48-F90 HydrophobicContact CG2-CZ 4.28Å
49D89.7Confident87.7Confident74 Ų7453.2 Ų53.240%0.39628%0.279SS..Hα-helixtrans-59.4-44.8179.3-63.8-31.6000111.4L46 V47 M52 E53L46-D49 PolarHBondContact O-N 2.59Å; V47-D49 VanDerWaalsContact C-N 3.32Å; V47-D49 PolarHBondContact O-N 2.86Å; D49-M52 HydrophobicContact CB-CE 4.45Å; D49-M52 PolarHBondContact O-N 2.94Å; D49-M52 WeakPolarHBondContact OD1-CE 3.49Å; D49-E53 PolarHBondContact O-N 3.05Å
50K89.7Confident88Confident40 Ų4053.6 Ų53.617%0.17428%0.282CS..Hα-helixtrans-73.3-31.2178-62.5-64.2161.4-170.10112.9E38 L42 V47 V48 M52 E53 L73E38-K50 HydrophobicContact CB-CD 4.35Å; E38-K50 WeakPolarHBondContact OE2-CD 3.48Å; E38-K50 WeakPolarHBondContact OE2-CE 3.07Å; E38-K50 IonicContact OE2-NZ 3.68Å; E38-K50 PolarHBondContact OE2-NZ 3.27Å; L42-K50 HydrophobicContact CD1-CG 4.1Å; L42-K50 HydrophobicContact CD2-CB 4.39Å; L42-K50 HydrophobicContact CD2-CG 4.11Å; V47-K50 PolarHBondContact O-N 2.96Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.05Å; K50-M52 VanDerWaalsContact C-N 3.35Å; K50-E53 IonicContact NZ-OE1 3.59Å; K50-E53 IonicContact NZ-OE2 3.88Å; K50-E53 PolarHBondContact NZ-OE2 2.89Å; K50-E53 PolarHBondContact O-N 3.27Å; K50-L73 HydrophobicContact CB-CD1 4.14Å; K50-L73 HydrophobicContact CB-CD2 4Å
51A89.4Confident88.3Confident0 Ų049.7 Ų49.70%026%0.263CS..Hα-helixtrans-69.5-32.9174.700000111.9V47 V48 E53 L54 L73 V99 L102V47-A51 VanDerWaalsContact O-CB 3.28Å; V47-A51 WeakPolarHBondContact O-CB 3.38Å; V47-A51 PolarHBondContact O-N 2.76Å; V48-A51 PolarHBondContact O-N 3.09Å; V48-A51 VanDerWaalsContact O-N 3.13Å; A51-E53 VanDerWaalsContact C-N 3.31Å; A51-E53 PolarHBondContact O-N 2.81Å; A51-L54 HydrophobicContact CB-CD1 4.4Å; A51-L54 VanDerWaalsContact O-CB 3.26Å; A51-L54 WeakPolarHBondContact O-CB 3.45Å; A51-L54 WeakPolarHBondContact O-CG 3.36Å; A51-L54 PolarHBondContact O-N 3.19Å; A51-L73 HydrophobicContact CB-CD1 4.37Å; A51-V99 HydrophobicContact CB-CG2 3.77Å; A51-L102 HydrophobicContact CB-CD2 3.72Å
52M89.6Confident88.6Confident71 Ų7148.4 Ų48.435%0.3525%0.25SC..Hα-helixtrans-66.2-31.6174-71.4-172.4-70.200112.9V48 D49 K50 L54 F96 V99V48-M52 WeakPolarHBondContact O-CG 3.28Å; V48-M52 PolarHBondContact O-N 2.91Å; D49-M52 HydrophobicContact CB-CE 4.45Å; D49-M52 PolarHBondContact O-N 2.94Å; D49-M52 WeakPolarHBondContact OD1-CE 3.49Å; K50-M52 VanDerWaalsContact C-N 3.35Å; M52-L54 PolarHBondContact O-N 3.48Å; M52-F96 HydrophobicContact CB-CD1 4.09Å; M52-F96 HydrophobicContact CB-CE1 4.02Å; M52-F96 HydrophobicContact CB-CZ 4.48Å; M52-F96 HydrophobicContact CG-CD1 3.83Å; M52-F96 HydrophobicContact CG-CD2 3.99Å; M52-F96 HydrophobicContact CG-CE1 3.86Å; M52-F96 HydrophobicContact CG-CE2 4.01Å; M52-F96 HydrophobicContact CG-CG 3.9Å; M52-F96 HydrophobicContact CG-CZ 3.95Å; M52-F96 HydrophobicContact SD-CD1 4.45Å; M52-F96 HydrophobicContact SD-CD2 4.03Å; M52-F96 HydrophobicContact SD-CE1 3.97Å; M52-F96 HydrophobicContact SD-CE2 3.5Å; M52-F96 WeakPolarHBondContact SD-CE2 3.34Å; M52-F96 HydrophobicContact SD-CG 4.47Å; M52-F96 HydrophobicContact SD-CZ 3.46Å; M52-F96 WeakPolarHBondContact SD-CZ 2.93Å; M52-V99 HydrophobicContact CG-CG2 4.09Å
53E90.8Very high88.4Confident112 Ų11252 Ų5252%0.52329%0.291SS..THydrogen-bonded Turntrans-73.7-9.8177.5-68.6176174.200113.5D49 K50 A51D49-E53 PolarHBondContact O-N 3.05Å; K50-E53 IonicContact NZ-OE1 3.59Å; K50-E53 IonicContact NZ-OE2 3.88Å; K50-E53 PolarHBondContact NZ-OE2 2.89Å; K50-E53 PolarHBondContact O-N 3.27Å; A51-E53 VanDerWaalsContact C-N 3.31Å; A51-E53 PolarHBondContact O-N 2.81Å
54L91.1Very high88.3Confident11 Ų1153.3 Ų53.36%0.05830%0.295CS..  trans-64.6141.8179.2-66.9174.8000111.7A51 M52 P69 F70 L73 Y98A51-L54 HydrophobicContact CB-CD1 4.4Å; A51-L54 VanDerWaalsContact O-CB 3.26Å; A51-L54 WeakPolarHBondContact O-CB 3.45Å; A51-L54 WeakPolarHBondContact O-CG 3.36Å; A51-L54 PolarHBondContact O-N 3.19Å; M52-L54 PolarHBondContact O-N 3.48Å; L54-P69 HydrophobicContact CD2-CB 3.67Å; L54-F70 HydrophobicContact CD1-CD2 4.02Å; L54-L73 HydrophobicContact CD1-CD1 3.91Å; L54-L73 HydrophobicContact CD2-CD1 3.95Å; L54-L73 HydrophobicContact CG-CD1 3.99Å; L54-Y98 HydrophobicContact CB-CD2 4.45Å; L54-Y98 HydrophobicContact CB-CG 4.19Å; L54-Y98 WeakPolarHBondContact O-CD2 3.42Å
55K90.4Very high88.6Confident151 Ų15154.4 Ų54.466%0.65730%0.297SS*.  trans-122.4-12.6-176.4-66.8179.1-176.51750114.1Y98K55-Y98 VanDerWaalsContact C-CE2 3.45Å; K55-Y98 WeakPolarHBondContact O-CE2 3.34Å; K55-Y98 PolarHBondContact O-OH 3Å
56F92.4Very high89.1Confident43 Ų4352 Ų5219%0.18928%0.284CS..  trans-159157.4-176.154.2-92000109.9T68 P69 K131 Q133 F139F56-T68 HydrophobicContact CD2-CG2 4.39Å; F56-T68 HydrophobicContact CE2-CG2 3.88Å; F56-P69 HydrophobicContact CZ-CG 4.23Å; F56-K131 CarbonylContact C-O 3.56Å; F56-K131 WeakPolarHBondContact CA-O 3.49Å; F56-K131 HydrophobicContact CB-CB 3.9Å; F56-K131 WeakPolarHBondContact CB-O 3.28Å; F56-Q133 HydrophobicContact CD2-CB 4.05Å; F56-Q133 VanDerWaalsContact CE2-OE1 3.25Å; F56-F139 HydrophobicContact CB-CD1 4.27Å; F56-F139 HydrophobicContact CB-CE1 3.96Å; F56-F139 AromaticContact CD1-CE1 3.78Å; F56-F139 HydrophobicContact CD1-CE1 3.78Å; F56-F139 HydrophobicContact CD1-CZ 4.3Å; F56-F139 HydrophobicContact CD2-CE1 4.05Å; F56-F139 HydrophobicContact CE1-CE1 4.27Å; F56-F139 HydrophobicContact CE1-CZ 4.42Å; F56-F139 HydrophobicContact CE2-CE1 4.49Å; F56-F139 HydrophobicContact CG-CD1 4.46Å; F56-F139 AromaticContact CG-CE1 3.67Å; F56-F139 HydrophobicContact CG-CE1 3.67Å
57V92.8Very high89.4Confident0 Ų049 Ų490%027%0.269CS..EExtended strand (participates in β ladder)trans-104153173.9-171.70000108.3F70 Y98 L101 I130 K131 S132 Q133 F147V57-F70 HydrophobicContact CG1-CD1 3.87Å; V57-F70 HydrophobicContact CG1-CD2 4.21Å; V57-F70 HydrophobicContact CG1-CE1 3.71Å; V57-F70 HydrophobicContact CG1-CE2 4.07Å; V57-F70 HydrophobicContact CG1-CG 4.12Å; V57-F70 HydrophobicContact CG1-CZ 3.82Å; V57-F70 HydrophobicContact CG2-CD2 4.34Å; V57-F70 HydrophobicContact CG2-CE2 4.31Å; V57-Y98 HydrophobicContact CG2-CD1 3.64Å; V57-Y98 HydrophobicContact CG2-CE1 3.83Å; V57-L101 HydrophobicContact CG2-CD1 3.56Å; V57-I130 HydrophobicContact CG2-CD1 4.49Å; V57-K131 PolarHBondContact N-O 3.35Å; V57-S132 CarbonylContact O-C 3.59Å; V57-S132 WeakPolarHBondContact O-CA 3.44Å; V57-Q133 PolarHBondContact O-N 3.48Å; V57-F147 HydrophobicContact CG1-CD2 4.25Å; V57-F147 HydrophobicContact CG1-CE2 3.47Å; V57-F147 VanDerWaalsContact CG1-CE2 3.47Å; V57-F147 HydrophobicContact CG1-CZ 3.64Å
58G91.6Very high89.7Confident3 Ų348.9 Ų48.93%0.03127%0.269CS..EExtended strand (participates in β ladder)trans160.8167.8174.800000111.7T68G58-T68 PolarHBondContact O-OG1 3.24Å
59G90.8Very high90Very high4 Ų448.5 Ų48.54%0.04127%0.267CS..SBendtrans-95.3-100.6178.800000112.5T68 L71 C158 D159G59-T68 WeakPolarHBondContact O-CG2 3.31Å; G59-T68 PolarHBondContact O-N 3.36Å; G59-T68 PolarHBondContact O-OG1 2.84Å; G59-L71 WeakPolarHBondContact O-CD2 3.5Å; G59-C158 VanDerWaalsContact CA-O 3.29Å; G59-C158 WeakPolarHBondContact CA-O 3.25Å; G59-D159 WeakPolarHBondContact CA-OD2 3.46Å
60V91.5Very high90.2Very high10 Ų1045 Ų456%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-117.2144.5177.5-53.60000110.7I25 I65 K66 L71 D159I25-V60 HydrophobicContact CD1-CG1 4.44Å; I25-V60 HydrophobicContact CG1-CG1 4.29Å; I25-V60 HydrophobicContact CG2-CG1 4.01Å; V60-I65 HydrophobicContact CB-CG2 3.71Å; V60-I65 HydrophobicContact CG1-CG2 3.79Å; V60-I65 HydrophobicContact CG2-CG2 3.66Å; V60-K66 CarbonylContact C-O 3.59Å; V60-K66 VanDerWaalsContact CA-O 3.26Å; V60-K66 WeakPolarHBondContact CA-O 3.36Å; V60-L71 HydrophobicContact CG1-CD2 3.61Å; V60-D159 HydrophobicContact CG2-CB 4.31Å; V60-D159 WeakPolarHBondContact CG2-OD2 3.24Å; V60-D159 PolarHBondContact N-OD2 3.19Å
61Y90.9Very high90.3Very high69 Ų6943.1 Ų43.127%0.27124%0.24SC..EExtended strand (participates in β ladder)trans-131.5151.8-178.569.5-83.1000112.6K66 T68 R135Y61-K66 HydrophobicContact CD1-CB 4.19Å; Y61-K66 WeakPolarHBondContact CD1-O 3.15Å; Y61-K66 HydrophobicContact CD2-CB 4.48Å; Y61-K66 HydrophobicContact CE1-CB 3.78Å; Y61-K66 WeakPolarHBondContact CE1-O 3.48Å; Y61-K66 HydrophobicContact CE2-CB 4.13Å; Y61-K66 HydrophobicContact CE2-CD 4.19Å; Y61-K66 PolarHBondContact N-O 3.19Å; Y61-K66 PolarHBondContact O-N 3.11Å; Y61-T68 HydrophobicContact CD1-CG2 3.96Å; Y61-T68 HydrophobicContact CE1-CG2 4.35Å; Y61-R135 CarbonylContact C-O 3.49Å; Y61-R135 WeakPolarHBondContact CA-O 3.3Å
62G87.4Confident90.5Very high33 Ų3343.1 Ų43.134%0.3424%0.24SC..THydrogen-bonded Turntrans72.1167.4179.800000114.5N64 I65 R135G62-N64 PolarHBondContact O-N 3.42Å; G62-N64 VanDerWaalsContact O-N 3.1Å; G62-I65 PolarHBondContact O-N 3.34Å; G62-R135 PolarHBondContact N-O 3.43Å
63G81.4Confident90.7Very high91 Ų9139.8 Ų39.894%0.93822%0.223SC*.THydrogen-bonded Turntrans-64.5-14.8-178.300000115.1
64N83.1Confident90.8Very high97 Ų9734.5 Ų34.552%0.51920%0.199SC..THydrogen-bonded Turntrans-95.69.4176-153.810.6000113.3G62 K66G62-N64 PolarHBondContact O-N 3.42Å; G62-N64 VanDerWaalsContact O-N 3.1Å; N64-K66 PolarHBondContact O-N 3.14Å
65I87.1Confident90.8Very high52 Ų5234 Ų3427%0.26720%0.196SC..THydrogen-bonded Turntrans53.654.4177.1-47.9175000109.8I24 R28 V60 G62 P67I24-I65 HydrophobicContact CG2-CD1 4.06Å; R28-I65 HydrophobicContact CG-CB 4.3Å; R28-I65 HydrophobicContact CG-CG2 4.31Å; V60-I65 HydrophobicContact CB-CG2 3.71Å; V60-I65 HydrophobicContact CG1-CG2 3.79Å; V60-I65 HydrophobicContact CG2-CG2 3.66Å; G62-I65 PolarHBondContact O-N 3.34Å; I65-P67 WeakPolarHBondContact O-CD 3.46Å
66K90.1Very high90.9Very high109 Ų10927.4 Ų27.447%0.47417%0.167SC..EExtended strand (participates in β ladder)trans-76.3124178.3-70.8-175.3177.8179.80108.4V60 Y61 N64V60-K66 CarbonylContact C-O 3.59Å; V60-K66 VanDerWaalsContact CA-O 3.26Å; V60-K66 WeakPolarHBondContact CA-O 3.36Å; Y61-K66 HydrophobicContact CD1-CB 4.19Å; Y61-K66 WeakPolarHBondContact CD1-O 3.15Å; Y61-K66 HydrophobicContact CD2-CB 4.48Å; Y61-K66 HydrophobicContact CE1-CB 3.78Å; Y61-K66 WeakPolarHBondContact CE1-O 3.48Å; Y61-K66 HydrophobicContact CE2-CB 4.13Å; Y61-K66 HydrophobicContact CE2-CD 4.19Å; Y61-K66 PolarHBondContact N-O 3.19Å; Y61-K66 PolarHBondContact O-N 3.11Å; N64-K66 PolarHBondContact O-N 3.14Å
67P93.3Very high90.8Very high17 Ų1725.4 Ų25.411%0.1116%0.159CC..EExtended strand (participates in β ladder)trans-74.4144.4177.630.8-33.3000110.3I29 I65 L71I29-P67 HydrophobicContact CB-CG 4.48Å; I29-P67 HydrophobicContact CG1-CB 3.58Å; I29-P67 HydrophobicContact CG1-CG 3.89Å; I65-P67 WeakPolarHBondContact O-CD 3.46Å; P67-L71 HydrophobicContact CB-CD2 4.1Å
68T93.5Very high90.7Very high1 Ų125.4 Ų25.41%0.00616%0.159CC..PPolyproline II helixtrans-72.4158.8169.5630000110.9F56 G58 G59 Y61 F70 L71 C72F56-T68 HydrophobicContact CD2-CG2 4.39Å; F56-T68 HydrophobicContact CE2-CG2 3.88Å; G58-T68 PolarHBondContact O-OG1 3.24Å; G59-T68 WeakPolarHBondContact O-CG2 3.31Å; G59-T68 PolarHBondContact O-N 3.36Å; G59-T68 PolarHBondContact O-OG1 2.84Å; Y61-T68 HydrophobicContact CD1-CG2 3.96Å; Y61-T68 HydrophobicContact CE1-CG2 4.35Å; T68-F70 PolarHBondContact O-N 3.08Å; T68-L71 PolarHBondContact O-N 3.28Å; T68-L71 WeakPolarHBondContact OG1-CB 3.35Å; T68-L71 PolarHBondContact OG1-N 3.22Å; T68-C72 PolarHBondContact O-N 3.23Å; T68-C72 PolarHBondContact O-SG 3.2Å
69P93.5Very high90.6Very high31 Ų3125.6 Ų25.620%0.20116%0.159CC..Hα-helixtrans-56.4-38.3169.4-26.837.1000112.7Y34 L54 F56 L71 C72 L73Y34-P69 HydrophobicContact CD1-CB 4.27Å; Y34-P69 HydrophobicContact CD2-CB 4.16Å; Y34-P69 HydrophobicContact CD2-CG 4.3Å; Y34-P69 HydrophobicContact CE1-CB 4.02Å; Y34-P69 HydrophobicContact CE2-CB 3.91Å; Y34-P69 HydrophobicContact CE2-CG 4.41Å; Y34-P69 HydrophobicContact CG-CB 4.34Å; L54-P69 HydrophobicContact CD2-CB 3.67Å; F56-P69 HydrophobicContact CZ-CG 4.23Å; P69-L71 PolarHBondContact O-N 3.4Å; P69-C72 WeakPolarHBondContact O-CB 3.1Å; P69-C72 PolarHBondContact O-N 3.48Å; P69-L73 PolarHBondContact O-N 3.35Å
70F93.8Very high90.6Very high1 Ų126.6 Ų26.60%0.00416%0.163CC..Hα-helixtrans-55.6-53.4175.5-177.1-93.7000110.9L54 V57 T68 C72 L73 T74 L101 L102 M105 F147L54-F70 HydrophobicContact CD1-CD2 4.02Å; V57-F70 HydrophobicContact CG1-CD1 3.87Å; V57-F70 HydrophobicContact CG1-CD2 4.21Å; V57-F70 HydrophobicContact CG1-CE1 3.71Å; V57-F70 HydrophobicContact CG1-CE2 4.07Å; V57-F70 HydrophobicContact CG1-CG 4.12Å; V57-F70 HydrophobicContact CG1-CZ 3.82Å; V57-F70 HydrophobicContact CG2-CD2 4.34Å; V57-F70 HydrophobicContact CG2-CE2 4.31Å; T68-F70 PolarHBondContact O-N 3.08Å; F70-C72 VanDerWaalsContact C-N 3.31Å; F70-C72 PolarHBondContact O-N 2.86Å; F70-L73 PolarHBondContact O-N 2.95Å; F70-T74 PolarHBondContact O-N 3.17Å; F70-T74 PolarHBondContact O-OG1 3.08Å; F70-L101 HydrophobicContact CE2-CB 4.27Å; F70-L102 HydrophobicContact CD2-CD1 4.17Å; F70-L102 HydrophobicContact CE2-CB 3.94Å; F70-L102 HydrophobicContact CE2-CD1 3.92Å; F70-L102 HydrophobicContact CZ-CD1 4.22Å; F70-M105 HydrophobicContact CE1-CB 4.45Å; F70-M105 HydrophobicContact CE1-CG 4.32Å; F70-M105 HydrophobicContact CZ-CB 4.12Å; F70-M105 HydrophobicContact CZ-CG 4.48Å; F70-F147 HydrophobicContact CZ-CZ 4.37Å
71L93Very high90.4Very high0 Ų028.5 Ų28.50%017%0.171CC..Hα-helixtrans-63.3-35.9179.3-175.265.7000112.8I25 I29 G59 V60 P67 T68 P69 T74 L75 I160I25-L71 HydrophobicContact CG2-CD2 3.67Å; I29-L71 HydrophobicContact CD1-CD2 4.16Å; I29-L71 HydrophobicContact CD1-CG 3.98Å; G59-L71 WeakPolarHBondContact O-CD2 3.5Å; V60-L71 HydrophobicContact CG1-CD2 3.61Å; P67-L71 HydrophobicContact CB-CD2 4.1Å; T68-L71 PolarHBondContact O-N 3.28Å; T68-L71 WeakPolarHBondContact OG1-CB 3.35Å; T68-L71 PolarHBondContact OG1-N 3.22Å; P69-L71 PolarHBondContact O-N 3.4Å; L71-T74 PolarHBondContact O-N 2.77Å; L71-L75 PolarHBondContact O-N 3.47Å; L71-I160 HydrophobicContact CD1-CD1 3.49Å; L71-I160 VanDerWaalsContact CD1-CD1 3.49Å; L71-I160 HydrophobicContact CD1-CG1 3.87Å
72C93.1Very high90.4Very high0 Ų025.9 Ų25.90%016%0.162CC..Hα-helixtrans-63.4-45175.4-65.30000111.4I29 Y34 W35 T68 P69 F70 L75 K76I29-C72 HydrophobicContact CG2-CB 4.3Å; Y34-C72 HydrophobicContact CD1-CB 3.64Å; Y34-C72 HydrophobicContact CE1-CB 4.06Å; W35-C72 HydrophobicContact CE3-CB 4.47Å; W35-C72 WeakPolarHBondContact CZ3-O 3.42Å; T68-C72 PolarHBondContact O-N 3.23Å; T68-C72 PolarHBondContact O-SG 3.2Å; P69-C72 WeakPolarHBondContact O-CB 3.1Å; P69-C72 PolarHBondContact O-N 3.48Å; F70-C72 VanDerWaalsContact C-N 3.31Å; F70-C72 PolarHBondContact O-N 2.86Å; C72-L75 PolarHBondContact O-N 2.96Å; C72-K76 PolarHBondContact O-N 3.04Å
73L92.8Very high90.5Very high0 Ų030.9 Ų30.90%018%0.177CC..Hα-helixtrans-66.8-38.5176.7-70180000111.8Y34 L42 K50 A51 L54 P69 F70 L75 K76 M77 L102Y34-L73 HydrophobicContact CE1-CD2 4.17Å; Y34-L73 HydrophobicContact CE1-CG 4.08Å; L42-L73 HydrophobicContact CD2-CD2 4.04Å; K50-L73 HydrophobicContact CB-CD1 4.14Å; K50-L73 HydrophobicContact CB-CD2 4Å; A51-L73 HydrophobicContact CB-CD1 4.37Å; L54-L73 HydrophobicContact CD1-CD1 3.91Å; L54-L73 HydrophobicContact CD2-CD1 3.95Å; L54-L73 HydrophobicContact CG-CD1 3.99Å; P69-L73 PolarHBondContact O-N 3.35Å; F70-L73 PolarHBondContact O-N 2.95Å; L73-L75 PolarHBondContact O-N 3.47Å; L73-K76 CarbonylContact O-C 3.59Å; L73-K76 WeakPolarHBondContact O-CA 3.41Å; L73-K76 WeakPolarHBondContact O-CB 3.41Å; L73-K76 PolarHBondContact O-N 2.96Å; L73-K76 VanDerWaalsContact O-N 3.08Å; L73-M77 WeakPolarHBondContact O-CG 3.29Å; L73-M77 PolarHBondContact O-N 3.45Å; L73-L102 HydrophobicContact CB-CD1 4.18Å; L73-L102 HydrophobicContact CB-CD2 4.12Å; L73-L102 HydrophobicContact CD1-CD2 4.47Å
74T93.1Very high90.8Very high1 Ų130.7 Ų30.71%0.00615%0.151CC..Hα-helixtrans-58.6-46.4173.7-49.40000111.3F70 L71 K76 M77 L78 L102 M105 L109 I160F70-T74 PolarHBondContact O-N 3.17Å; F70-T74 PolarHBondContact O-OG1 3.08Å; L71-T74 PolarHBondContact O-N 2.77Å; T74-K76 VanDerWaalsContact C-N 3.29Å; T74-K76 PolarHBondContact O-N 3.37Å; T74-M77 PolarHBondContact O-N 3.29Å; T74-L78 WeakPolarHBondContact O-CG 3.36Å; T74-L78 PolarHBondContact O-N 2.99Å; T74-L102 WeakPolarHBondContact OG1-CD1 3.41Å; T74-M105 HydrophobicContact CG2-CG 4.01Å; T74-L109 HydrophobicContact CG2-CD1 3.9Å; T74-I160 HydrophobicContact CG2-CD1 4.31Å
75L92.4Very high91.1Very high0 Ų031.4 Ų31.40%015%0.154CC..Hα-helixtrans-63.9-36.4175.6-175.568.1000111.7Q18 V21 R26 I29 Y30 W35 L71 C72 L73 L78 Q79Q18-L75 HydrophobicContact CB-CD1 4.36Å; Q18-L75 HydrophobicContact CG-CD1 4.46Å; V21-L75 HydrophobicContact CB-CD1 4.07Å; V21-L75 HydrophobicContact CG2-CD1 3.82Å; R26-L75 HydrophobicContact CG-CD1 4.23Å; R26-L75 HydrophobicContact CG-CD2 4.35Å; I29-L75 HydrophobicContact CB-CD2 3.89Å; I29-L75 HydrophobicContact CD1-CB 4.1Å; I29-L75 HydrophobicContact CD1-CD2 3.71Å; I29-L75 HydrophobicContact CD1-CG 4.46Å; I29-L75 HydrophobicContact CG1-CD2 4.41Å; I29-L75 HydrophobicContact CG2-CD2 3.6Å; Y30-L75 HydrophobicContact CD1-CD2 4.41Å; Y30-L75 HydrophobicContact CE1-CD2 3.74Å; W35-L75 HydrophobicContact CH2-CD2 4.27Å; W35-L75 HydrophobicContact CH2-CG 4.32Å; W35-L75 HydrophobicContact CZ3-CB 4.25Å; W35-L75 HydrophobicContact CZ3-CD2 4.19Å; W35-L75 HydrophobicContact CZ3-CG 4.29Å; L71-L75 PolarHBondContact O-N 3.47Å; C72-L75 PolarHBondContact O-N 2.96Å; L73-L75 PolarHBondContact O-N 3.47Å; L75-L78 WeakPolarHBondContact O-CB 3.48Å; L75-L78 PolarHBondContact O-N 3.21Å; L75-Q79 PolarHBondContact O-N 3.23Å
76K91.6Very high91.2Very high13 Ų1330.9 Ų30.96%0.05715%0.152CC..Hα-helixtrans-65.3-42.7177.2-175.158.5175.8-173.60111.6W35 C39 L42 C72 L73 T74 L78 Q79 I80W35-K76 HydrophobicContact CH2-CB 4.19Å; W35-K76 HydrophobicContact CH2-CD 3.97Å; W35-K76 HydrophobicContact CZ3-CB 3.86Å; W35-K76 HydrophobicContact CZ3-CD 4.34Å; C39-K76 HydrophobicContact CB-CD 4.36Å; C39-K76 HydrophobicContact CB-CG 4.44Å; C39-K76 VanDerWaalsContact O-CE 3.31Å; C39-K76 WeakPolarHBondContact O-CE 3.48Å; C39-K76 PolarHBondContact O-NZ 2.83Å; L42-K76 HydrophobicContact CB-CG 4.36Å; L42-K76 HydrophobicContact CD2-CG 4.38Å; L42-K76 WeakPolarHBondContact O-CE 3.44Å; L42-K76 PolarHBondContact O-NZ 3.01Å; C72-K76 PolarHBondContact O-N 3.04Å; L73-K76 CarbonylContact O-C 3.59Å; L73-K76 WeakPolarHBondContact O-CA 3.41Å; L73-K76 WeakPolarHBondContact O-CB 3.41Å; L73-K76 PolarHBondContact O-N 2.96Å; L73-K76 VanDerWaalsContact O-N 3.08Å; T74-K76 VanDerWaalsContact C-N 3.29Å; T74-K76 PolarHBondContact O-N 3.37Å; K76-L78 VanDerWaalsContact C-N 3.31Å; K76-L78 PolarHBondContact O-N 2.59Å; K76-Q79 WeakPolarHBondContact O-CA 3.24Å; K76-Q79 WeakPolarHBondContact O-CB 3.25Å; K76-Q79 PolarHBondContact O-N 3.29Å; K76-I80 HydrophobicContact CD-CG2 4.18Å; K76-I80 WeakPolarHBondContact O-CG1 3.47Å; K76-I80 PolarHBondContact O-N 2.93Å
77M90.6Very high91.2Very high1 Ų126 Ų261%0.00513%0.131CC..Hα-helixtrans-61-40173.3-70.6-179.473.200111.5V47 L73 T74 Q79 I80 Q81 P82 F90 L102 Y106V47-M77 HydrophobicContact CG1-CG 3.94Å; V47-M77 HydrophobicContact CG1-SD 4.16Å; L73-M77 WeakPolarHBondContact O-CG 3.29Å; L73-M77 PolarHBondContact O-N 3.45Å; T74-M77 PolarHBondContact O-N 3.29Å; M77-Q79 PolarHBondContact O-N 3.4Å; M77-I80 PolarHBondContact O-N 3.37Å; M77-Q81 WeakPolarHBondContact O-CA 3.4Å; M77-Q81 PolarHBondContact O-N 2.84Å; M77-P82 HydrophobicContact CE-CG 3.98Å; M77-P82 VanDerWaalsContact O-CD 3.31Å; M77-P82 WeakPolarHBondContact O-CD 3.28Å; M77-F90 HydrophobicContact CE-CD2 4.01Å; M77-F90 HydrophobicContact CE-CE2 3.95Å; M77-L102 HydrophobicContact SD-CD1 4.24Å; M77-L102 HydrophobicContact SD-CD2 3.59Å; M77-L102 VanDerWaalsContact SD-CD2 3.59Å; M77-L102 HydrophobicContact SD-CG 3.6Å; M77-L102 VanDerWaalsContact SD-CG 3.6Å; M77-Y106 VanDerWaalsContact C-CE2 3.43Å; M77-Y106 HydrophobicContact CB-CD2 3.51Å; M77-Y106 HydrophobicContact CB-CE2 3.69Å; M77-Y106 HydrophobicContact CB-CG 4.38Å; M77-Y106 HydrophobicContact CE-CD1 4.35Å; M77-Y106 HydrophobicContact CE-CD2 4.16Å; M77-Y106 HydrophobicContact CE-CG 3.87Å; M77-Y106 WeakPolarHBondContact O-CE2 3.33Å
78L90.8Very high91.1Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-64.8-29.4173.2-69.9171.8000112.6P17 L20 V21 T74 L75 K76 Y106 L109 T110P17-L78 HydrophobicContact CB-CB 4.47Å; P17-L78 VanDerWaalsContact CB-O 3.27Å; P17-L78 WeakPolarHBondContact CB-O 3.31Å; L20-L78 HydrophobicContact CB-CD1 4.43Å; L20-L78 HydrophobicContact CD1-CD2 3.99Å; V21-L78 HydrophobicContact CG2-CD1 3.94Å; T74-L78 WeakPolarHBondContact O-CG 3.36Å; T74-L78 PolarHBondContact O-N 2.99Å; L75-L78 WeakPolarHBondContact O-CB 3.48Å; L75-L78 PolarHBondContact O-N 3.21Å; K76-L78 VanDerWaalsContact C-N 3.31Å; K76-L78 PolarHBondContact O-N 2.59Å; L78-Y106 HydrophobicContact CD2-CD2 4.2Å; L78-Y106 HydrophobicContact CD2-CE2 3.75Å; L78-Y106 HydrophobicContact CG-CD2 4.41Å; L78-Y106 HydrophobicContact CG-CE2 4.14Å; L78-L109 HydrophobicContact CD1-CD1 4.27Å; L78-T110 HydrophobicContact CD2-CG2 3.52Å
79Q89.6Confident91Very high8 Ų832 Ų324%0.03716%0.158CC..Hα-helixtrans-75.8-43.1177.8-172.4-1704.800112.8A2 R4 T5 V6 Q18 L75 K76 M77A2-Q79 PolarHBondContact O-NE2 3.44Å; R4-Q79 PolarHBondContact O-NE2 3.37Å; T5-Q79 WeakPolarHBondContact CG2-O 3.32Å; V6-Q79 PolarHBondContact N-O 2.96Å; Q18-Q79 HydrophobicContact CG-CB 4.42Å; L75-Q79 PolarHBondContact O-N 3.23Å; K76-Q79 WeakPolarHBondContact O-CA 3.24Å; K76-Q79 WeakPolarHBondContact O-CB 3.25Å; K76-Q79 PolarHBondContact O-N 3.29Å; M77-Q79 PolarHBondContact O-N 3.4Å
80I89.4Confident90.8Very high25 Ų2531.2 Ų31.213%0.12815%0.151CC..Hα-helixtrans-85.2-26.3-176.769.3-168.9000112.5V6 A44 V47 K76 M77V6-I80 WeakPolarHBondContact CG2-O 3.41Å; A44-I80 HydrophobicContact CB-CD1 4.38Å; V47-I80 HydrophobicContact CG2-CD1 3.62Å; K76-I80 HydrophobicContact CD-CG2 4.18Å; K76-I80 WeakPolarHBondContact O-CG1 3.47Å; K76-I80 PolarHBondContact O-N 2.93Å; M77-I80 PolarHBondContact O-N 3.37Å
81Q89.1Confident90.6Very high50 Ų5031.6 Ų31.623%0.23415%0.153CC..  trans50.274.7-175.8-167.8171.52000112.5A9 N10 M77A9-Q81 VanDerWaalsContact C-OE1 3.29Å; A9-Q81 HydrophobicContact CB-CB 4.38Å; N10-Q81 PolarHBondContact O-OE1 3.16Å; M77-Q81 WeakPolarHBondContact O-CA 3.4Å; M77-Q81 PolarHBondContact O-N 2.84Å
82P89.5Confident90.5Very high13 Ų1338.6 Ų38.68%0.08418%0.184CC..  trans-62.5157177.630.3-34.5000111A44 M77 I86 I87 Y106A44-P82 HydrophobicContact CB-CB 4.19Å; M77-P82 HydrophobicContact CE-CG 3.98Å; M77-P82 VanDerWaalsContact O-CD 3.31Å; M77-P82 WeakPolarHBondContact O-CD 3.28Å; P82-I86 HydrophobicContact CB-CB 4.43Å; P82-I86 HydrophobicContact CB-CD1 4.36Å; P82-I86 HydrophobicContact CB-CG2 4.43Å; P82-I87 HydrophobicContact CG-CD1 4.22Å; P82-I87 HydrophobicContact CG-CG1 4Å; P82-Y106 HydrophobicContact CG-CE1 4.36Å
83E89.2Confident90.2Very high139 Ų13940.8 Ų40.865%0.6520%0.196SC*.  trans-63.8154.1176-64.3-176.7176.900111.6D85 I86 I87E83-D85 PolarHBondContact O-N 2.97Å; E83-I86 HydrophobicContact CB-CD1 4.46Å; E83-I86 PolarHBondContact O-N 3.42Å; E83-I87 PolarHBondContact O-N 3.27Å
84K87.8Confident89.8Confident87 Ų8747.5 Ų47.538%0.37823%0.227SC..Hα-helixtrans-57.5-36.8-177.9-169173173.5179.60112.1I86 I87 V88 M107 D115K84-I86 PolarHBondContact O-N 3.03Å; K84-I87 PolarHBondContact O-N 2.81Å; K84-V88 HydrophobicContact CG-CG2 4.42Å; K84-V88 WeakPolarHBondContact O-CG2 3.31Å; K84-V88 PolarHBondContact O-N 3.12Å; K84-M107 HydrophobicContact CG-CE 4.46Å; K84-D115 IonicContact NZ-OD1 2.76Å; K84-D115 PolarHBondContact NZ-OD1 2.96Å; K84-D115 IonicContact NZ-OD2 3.31Å; K84-D115 PolarHBondContact NZ-OD2 2.97Å
85D88.9Confident89.5Confident111 Ų11154.1 Ų54.159%0.59426%0.262SS*.Hα-helixtrans-64.6-41.4-177.9-63.1-17.1000111.8E83 I87 V88 E89E83-D85 PolarHBondContact O-N 2.97Å; D85-I87 VanDerWaalsContact C-N 3.28Å; D85-I87 PolarHBondContact O-N 3.06Å; D85-V88 PolarHBondContact O-N 3.17Å; D85-E89 WeakPolarHBondContact O-CG 3.36Å; D85-E89 PolarHBondContact O-N 2.92Å
86I89.5Confident89.4Confident42 Ų4258 Ų5822%0.21528%0.279CS..Hα-helixtrans-60.5-40.7175.2-59.3175.7000110.6A44 P82 E83 K84 E89 F90A44-I86 HydrophobicContact CB-CD1 4.12Å; P82-I86 HydrophobicContact CB-CB 4.43Å; P82-I86 HydrophobicContact CB-CD1 4.36Å; P82-I86 HydrophobicContact CB-CG2 4.43Å; E83-I86 HydrophobicContact CB-CD1 4.46Å; E83-I86 PolarHBondContact O-N 3.42Å; K84-I86 PolarHBondContact O-N 3.03Å; I86-E89 PolarHBondContact O-N 2.95Å; I86-F90 HydrophobicContact CG2-CD1 4.22Å; I86-F90 HydrophobicContact CG2-CE1 3.71Å; I86-F90 HydrophobicContact CG2-CE2 4.37Å; I86-F90 HydrophobicContact CG2-CZ 3.79Å; I86-F90 VanDerWaalsContact O-CD1 3.23Å; I86-F90 WeakPolarHBondContact O-CD1 3.4Å; I86-F90 WeakPolarHBondContact O-CG 3.34Å; I86-F90 PolarHBondContact O-N 3.07Å
87I90.9Very high89.4Confident6 Ų660.4 Ų60.43%0.03129%0.29CS..Hα-helixtrans-69.6-39.7179.9-56154.3000110.4P82 E83 K84 D85 E89 F90 I91 Y106 M107P82-I87 HydrophobicContact CG-CD1 4.22Å; P82-I87 HydrophobicContact CG-CG1 4Å; E83-I87 PolarHBondContact O-N 3.27Å; K84-I87 PolarHBondContact O-N 2.81Å; D85-I87 VanDerWaalsContact C-N 3.28Å; D85-I87 PolarHBondContact O-N 3.06Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-F90 WeakPolarHBondContact O-CB 3.03Å; I87-F90 PolarHBondContact O-N 3.04Å; I87-I91 HydrophobicContact CG2-CD1 4.25Å; I87-I91 WeakPolarHBondContact O-CG1 3.42Å; I87-I91 PolarHBondContact O-N 3.11Å; I87-Y106 HydrophobicContact CD1-CD1 3.33Å; I87-Y106 HydrophobicContact CD1-CE1 3.15Å; I87-Y106 HydrophobicContact CG1-CD1 3.76Å; I87-Y106 HydrophobicContact CG1-CE1 3.99Å; I87-Y106 HydrophobicContact CG2-CD1 4.14Å; I87-M107 HydrophobicContact CB-CE 4.26Å; I87-M107 HydrophobicContact CG2-CB 4.27Å; I87-M107 HydrophobicContact CG2-CE 3.75Å
88V91.1Very high89.5Confident13 Ų1361.5 Ų61.58%0.07929%0.294CS..Hα-helixtrans-63.8-39.8175.1172.80000110.6K84 D85 F90 I91 K92 M107 Y119K84-V88 HydrophobicContact CG-CG2 4.42Å; K84-V88 WeakPolarHBondContact O-CG2 3.31Å; K84-V88 PolarHBondContact O-N 3.12Å; D85-V88 PolarHBondContact O-N 3.17Å; V88-F90 VanDerWaalsContact C-N 3.35Å; V88-I91 PolarHBondContact O-N 3.15Å; V88-K92 HydrophobicContact CG1-CD 4.02Å; V88-K92 HydrophobicContact CG1-CG 4.37Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 WeakPolarHBondContact O-CG 3.29Å; V88-K92 PolarHBondContact O-N 3.13Å; V88-M107 HydrophobicContact CG2-CE 4.15Å; V88-Y119 HydrophobicContact CB-CE1 4.42Å; V88-Y119 HydrophobicContact CG1-CD1 4.4Å; V88-Y119 HydrophobicContact CG1-CE1 3.82Å; V88-Y119 HydrophobicContact CG2-CD1 4.23Å; V88-Y119 HydrophobicContact CG2-CE1 3.68Å; V88-Y119 HydrophobicContact CG2-CE2 4.14Å
89E90.7Very high89.6Confident131 Ų13161.5 Ų61.561%0.61229%0.294SS*.Hα-helixtrans-62.2-40.7172.3-74.1-177.7174.300112.1D85 I86 I87 I91 K92 N93D85-E89 WeakPolarHBondContact O-CG 3.36Å; D85-E89 PolarHBondContact O-N 2.92Å; I86-E89 PolarHBondContact O-N 2.95Å; I87-E89 VanDerWaalsContact C-N 3.32Å; E89-I91 VanDerWaalsContact C-N 3.3Å; E89-I91 PolarHBondContact O-N 3.17Å; E89-K92 PolarHBondContact O-N 3.18Å; E89-N93 PolarHBondContact O-N 2.92Å
90F89.6Confident89.8Confident15 Ų1562.1 Ų62.17%0.06630%0.296CS..Hα-helixtrans-62-38.9175.4-74.29000112V47 V48 M77 I86 I87 V88 V99 R100V47-F90 HydrophobicContact CG1-CE2 4.17Å; V48-F90 HydrophobicContact CB-CE1 3.96Å; V48-F90 HydrophobicContact CB-CZ 3.99Å; V48-F90 HydrophobicContact CG2-CE1 3.88Å; V48-F90 HydrophobicContact CG2-CZ 4.28Å; M77-F90 HydrophobicContact CE-CD2 4.01Å; M77-F90 HydrophobicContact CE-CE2 3.95Å; I86-F90 HydrophobicContact CG2-CD1 4.22Å; I86-F90 HydrophobicContact CG2-CE1 3.71Å; I86-F90 HydrophobicContact CG2-CE2 4.37Å; I86-F90 HydrophobicContact CG2-CZ 3.79Å; I86-F90 VanDerWaalsContact O-CD1 3.23Å; I86-F90 WeakPolarHBondContact O-CD1 3.4Å; I86-F90 WeakPolarHBondContact O-CG 3.34Å; I86-F90 PolarHBondContact O-N 3.07Å; I87-F90 WeakPolarHBondContact O-CB 3.03Å; I87-F90 PolarHBondContact O-N 3.04Å; V88-F90 VanDerWaalsContact C-N 3.35Å; F90-V99 HydrophobicContact CB-CG1 3.93Å; F90-V99 HydrophobicContact CD1-CG1 4.1Å; F90-V99 HydrophobicContact CD2-CG1 4.25Å; F90-V99 HydrophobicContact CG-CG1 3.84Å; F90-R100 VanDerWaalsContact O-CA 3.31Å; F90-R100 WeakPolarHBondContact O-CA 3.46Å
91I90.9Very high89.9Confident8 Ų860.9 Ų60.94%0.04129%0.29CS..Hα-helixtrans-69.3-45.5177.5-69.8169.8000110.9I87 V88 E89 N93 R100 M107 L123I87-I91 HydrophobicContact CG2-CD1 4.25Å; I87-I91 WeakPolarHBondContact O-CG1 3.42Å; I87-I91 PolarHBondContact O-N 3.11Å; V88-I91 PolarHBondContact O-N 3.15Å; E89-I91 VanDerWaalsContact C-N 3.3Å; E89-I91 PolarHBondContact O-N 3.17Å; I91-N93 PolarHBondContact O-N 2.85Å; I91-R100 PolarHBondContact O-NE 3.45Å; I91-R100 PolarHBondContact O-NH2 3.11Å; I91-M107 HydrophobicContact CD1-CB 4.06Å; I91-M107 HydrophobicContact CD1-CE 4.07Å; I91-M107 HydrophobicContact CD1-CG 4.36Å; I91-L123 HydrophobicContact CG2-CD1 4.02Å; I91-L123 HydrophobicContact CG2-CD2 3.96Å; I91-L123 HydrophobicContact CG2-CG 4.27Å
92K89.4Confident90.1Very high147 Ų14758.5 Ų58.564%0.63928%0.279SS*.Hα-helixtrans-66.5-23.5179.4-74179.9178.1-178.50113V88 E89 E94 R100V88-K92 HydrophobicContact CG1-CD 4.02Å; V88-K92 HydrophobicContact CG1-CG 4.37Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 WeakPolarHBondContact O-CG 3.29Å; V88-K92 PolarHBondContact O-N 3.13Å; E89-K92 PolarHBondContact O-N 3.18Å; K92-E94 PolarHBondContact O-N 3.04Å; K92-E94 VanDerWaalsContact O-N 3.11Å; K92-R100 PolarHBondContact O-NH2 3.32Å
93N87.1Confident90.3Very high47 Ų4757.9 Ų57.925%0.25128%0.275SS..  trans-59.6115.4178.1-167.7-53.4000111.6E89 I91 D95 F96 R100E89-N93 PolarHBondContact O-N 2.92Å; I91-N93 PolarHBondContact O-N 2.85Å; N93-D95 PolarHBondContact OD1-N 3.37Å; N93-F96 PolarHBondContact OD1-N 2.69Å; N93-F96 VanDerWaalsContact OD1-N 3.08Å; N93-R100 PolarHBondContact O-NE 3Å; N93-R100 VanDerWaalsContact O-NE 3.07Å; N93-R100 PolarHBondContact O-NH2 2.97Å
94E84.8Confident90.5Very high141 Ų14151.3 Ų51.366%0.65924%0.244SC*.SBendtrans-89.9-21.4179.2-77.9178.8-171.200113.1K92 R128K92-E94 PolarHBondContact O-N 3.04Å; K92-E94 VanDerWaalsContact O-N 3.11Å; E94-R128 PolarHBondContact O-NH1 3.12Å; E94-R128 PolarHBondContact O-NH2 3.43Å
95D87.1Confident90.7Very high139 Ų13947.1 Ų47.174%0.74323%0.226SC*.SBendtrans-74-40.7-174.8-63.1-42.9000111.6N93N93-D95 PolarHBondContact OD1-N 3.37Å
96F89.8Confident90.9Very high82 Ų8242 Ų4236%0.3620%0.198SC..  trans-110.793.1-173.9-62.7-81.9000112.3M52 N93 Y98 V99 R100M52-F96 HydrophobicContact CB-CD1 4.09Å; M52-F96 HydrophobicContact CB-CE1 4.02Å; M52-F96 HydrophobicContact CB-CZ 4.48Å; M52-F96 HydrophobicContact CG-CD1 3.83Å; M52-F96 HydrophobicContact CG-CD2 3.99Å; M52-F96 HydrophobicContact CG-CE1 3.86Å; M52-F96 HydrophobicContact CG-CE2 4.01Å; M52-F96 HydrophobicContact CG-CG 3.9Å; M52-F96 HydrophobicContact CG-CZ 3.95Å; M52-F96 HydrophobicContact SD-CD1 4.45Å; M52-F96 HydrophobicContact SD-CD2 4.03Å; M52-F96 HydrophobicContact SD-CE1 3.97Å; M52-F96 HydrophobicContact SD-CE2 3.5Å; M52-F96 WeakPolarHBondContact SD-CE2 3.34Å; M52-F96 HydrophobicContact SD-CG 4.47Å; M52-F96 HydrophobicContact SD-CZ 3.46Å; M52-F96 WeakPolarHBondContact SD-CZ 2.93Å; N93-F96 PolarHBondContact OD1-N 2.69Å; N93-F96 VanDerWaalsContact OD1-N 3.08Å; F96-Y98 VanDerWaalsContact C-N 3.26Å; F96-Y98 PolarHBondContact O-N 3.05Å; F96-Y98 VanDerWaalsContact O-N 3.15Å; F96-V99 HydrophobicContact CB-CB 3.86Å; F96-V99 HydrophobicContact CB-CG2 3.52Å; F96-V99 HydrophobicContact CG-CG2 4.26Å; F96-V99 WeakPolarHBondContact O-CB 3.45Å; F96-V99 PolarHBondContact O-N 3.42Å; F96-R100 PolarHBondContact O-N 2.86Å; F96-R100 VanDerWaalsContact O-N 3.12Å
97K91.8Very high91Very high64 Ų6440.2 Ų40.228%0.27819%0.189SC..Hα-helixtrans-52.7-37.2177.465.4-169.2-179.8-1760114.3R100 L101 K129 I130K97-R100 PolarHBondContact O-N 2.87Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.45Å; K97-L101 PolarHBondContact O-N 2.86Å; K97-K129 PolarHBondContact NZ-O 3.36Å; K97-I130 HydrophobicContact CD-CG2 3.89Å; K97-I130 HydrophobicContact CG-CG2 4.25Å
98Y92.9Very high91.1Very high24 Ų2440.3 Ų40.39%0.09419%0.189CC..Hα-helixtrans-76-28.7-179.6-62.1-62.2000113.5L54 K55 V57 F96 L101 L102 I130 K131L54-Y98 HydrophobicContact CB-CD2 4.45Å; L54-Y98 HydrophobicContact CB-CG 4.19Å; L54-Y98 WeakPolarHBondContact O-CD2 3.42Å; K55-Y98 VanDerWaalsContact C-CE2 3.45Å; K55-Y98 WeakPolarHBondContact O-CE2 3.34Å; K55-Y98 PolarHBondContact O-OH 3Å; V57-Y98 HydrophobicContact CG2-CD1 3.64Å; V57-Y98 HydrophobicContact CG2-CE1 3.83Å; F96-Y98 VanDerWaalsContact C-N 3.26Å; F96-Y98 PolarHBondContact O-N 3.05Å; F96-Y98 VanDerWaalsContact O-N 3.15Å; Y98-L101 HydrophobicContact CD1-CD1 4.49Å; Y98-L102 WeakPolarHBondContact O-CB 3.37Å; Y98-L102 PolarHBondContact O-N 3.1Å; Y98-I130 HydrophobicContact CE1-CB 4.22Å; Y98-I130 HydrophobicContact CE1-CG2 4.27Å; Y98-K131 PolarHBondContact OH-N 3.49Å
99V92.9Very high91.1Very high0 Ų039.7 Ų39.70%019%0.185CC..Hα-helixtrans-66.7-45.7172.5176.60000109.2A51 M52 F90 F96 L101 L102 G103A51-V99 HydrophobicContact CB-CG2 3.77Å; M52-V99 HydrophobicContact CG-CG2 4.09Å; F90-V99 HydrophobicContact CB-CG1 3.93Å; F90-V99 HydrophobicContact CD1-CG1 4.1Å; F90-V99 HydrophobicContact CD2-CG1 4.25Å; F90-V99 HydrophobicContact CG-CG1 3.84Å; F96-V99 HydrophobicContact CB-CB 3.86Å; F96-V99 HydrophobicContact CB-CG2 3.52Å; F96-V99 HydrophobicContact CG-CG2 4.26Å; F96-V99 WeakPolarHBondContact O-CB 3.45Å; F96-V99 PolarHBondContact O-N 3.42Å; V99-L101 PolarHBondContact O-N 3.22Å; V99-L102 WeakPolarHBondContact O-CB 3.23Å; V99-L102 PolarHBondContact O-N 2.75Å; V99-G103 PolarHBondContact O-N 3.18Å
100R92.6Very high91Very high20 Ų2035 Ų358%0.07517%0.165CC..Hα-helixtrans-55.5-48.5173.8173.2176.5-75.3-164.4-8.1112.3F90 I91 K92 N93 F96 K97 L102 G103 A104 L123 D126F90-R100 VanDerWaalsContact O-CA 3.31Å; F90-R100 WeakPolarHBondContact O-CA 3.46Å; I91-R100 PolarHBondContact O-NE 3.45Å; I91-R100 PolarHBondContact O-NH2 3.11Å; K92-R100 PolarHBondContact O-NH2 3.32Å; N93-R100 PolarHBondContact O-NE 3Å; N93-R100 VanDerWaalsContact O-NE 3.07Å; N93-R100 PolarHBondContact O-NH2 2.97Å; F96-R100 PolarHBondContact O-N 2.86Å; F96-R100 VanDerWaalsContact O-N 3.12Å; K97-R100 PolarHBondContact O-N 2.87Å; R100-L102 VanDerWaalsContact C-N 3.34Å; R100-L102 PolarHBondContact O-N 3.39Å; R100-G103 PolarHBondContact O-N 3.09Å; R100-A104 WeakPolarHBondContact O-CB 3.5Å; R100-A104 PolarHBondContact O-N 3.14Å; R100-L123 HydrophobicContact CG-CD1 4.33Å; R100-L123 HydrophobicContact CG-CD2 4.09Å; R100-D126 WeakPolarHBondContact CD-OD2 3.11Å; R100-D126 IonicContact CZ-OD2 3.37Å; R100-D126 IonicContact NE-OD2 2.87Å; R100-D126 IonicContact NH1-OD2 3Å; R100-D126 PolarHBondContact NH1-OD2 3.02Å
101L93.1Very high90.9Very high0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-65.6-35.5178-68.7-177.4000113.4V57 F70 K97 Y98 V99 A104 M105 I130 V144 F147 I148V57-L101 HydrophobicContact CG2-CD1 3.56Å; F70-L101 HydrophobicContact CE2-CB 4.27Å; K97-L101 VanDerWaalsContact O-CG 3.28Å; K97-L101 WeakPolarHBondContact O-CG 3.45Å; K97-L101 PolarHBondContact O-N 2.86Å; Y98-L101 HydrophobicContact CD1-CD1 4.49Å; V99-L101 PolarHBondContact O-N 3.22Å; L101-A104 PolarHBondContact O-N 3.19Å; L101-M105 WeakPolarHBondContact O-CB 3.39Å; L101-M105 PolarHBondContact O-N 3.35Å; L101-I130 HydrophobicContact CD1-CB 4.39Å; L101-I130 HydrophobicContact CD1-CD1 3.54Å; L101-I130 HydrophobicContact CD1-CG2 3.91Å; L101-V144 HydrophobicContact CD1-CG2 4.43Å; L101-V144 HydrophobicContact CD2-CG1 3.89Å; L101-V144 HydrophobicContact CD2-CG2 4.32Å; L101-F147 HydrophobicContact CB-CE1 4.23Å; L101-F147 HydrophobicContact CD1-CD1 4.37Å; L101-F147 HydrophobicContact CD2-CD1 3.45Å; L101-F147 VanDerWaalsContact CD2-CD1 3.45Å; L101-F147 HydrophobicContact CD2-CE1 3.94Å; L101-F147 HydrophobicContact CD2-CG 4.27Å; L101-F147 HydrophobicContact CG-CD1 4.33Å; L101-F147 HydrophobicContact CG-CE1 4.49Å; L101-I148 HydrophobicContact CD2-CD1 4.16Å
102L93.2Very high90.8Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-65.8-44.4175.5-173.770.3000110.8A51 F70 L73 T74 M77 Y98 V99 R100 M105 Y106A51-L102 HydrophobicContact CB-CD2 3.72Å; F70-L102 HydrophobicContact CD2-CD1 4.17Å; F70-L102 HydrophobicContact CE2-CB 3.94Å; F70-L102 HydrophobicContact CE2-CD1 3.92Å; F70-L102 HydrophobicContact CZ-CD1 4.22Å; L73-L102 HydrophobicContact CB-CD1 4.18Å; L73-L102 HydrophobicContact CB-CD2 4.12Å; L73-L102 HydrophobicContact CD1-CD2 4.47Å; T74-L102 WeakPolarHBondContact OG1-CD1 3.41Å; M77-L102 HydrophobicContact SD-CD1 4.24Å; M77-L102 HydrophobicContact SD-CD2 3.59Å; M77-L102 VanDerWaalsContact SD-CD2 3.59Å; M77-L102 HydrophobicContact SD-CG 3.6Å; M77-L102 VanDerWaalsContact SD-CG 3.6Å; Y98-L102 WeakPolarHBondContact O-CB 3.37Å; Y98-L102 PolarHBondContact O-N 3.1Å; V99-L102 WeakPolarHBondContact O-CB 3.23Å; V99-L102 PolarHBondContact O-N 2.75Å; R100-L102 VanDerWaalsContact C-N 3.34Å; R100-L102 PolarHBondContact O-N 3.39Å; L102-M105 PolarHBondContact O-N 2.93Å; L102-Y106 WeakPolarHBondContact O-CB 3.5Å; L102-Y106 PolarHBondContact O-N 3.11Å
103G92.8Very high90.7Very high0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-61-45.1173.700000112.2V99 R100 Y106 M107V99-G103 PolarHBondContact O-N 3.18Å; R100-G103 PolarHBondContact O-N 3.09Å; G103-Y106 PolarHBondContact O-N 3.16Å; G103-M107 WeakPolarHBondContact O-CB 3.43Å; G103-M107 PolarHBondContact O-N 3.18Å
104A93.3Very high90.7Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-60-48176.300000112.4R100 L101 Y106 M107 R108 L120 L123 I148 L151R100-A104 WeakPolarHBondContact O-CB 3.5Å; R100-A104 PolarHBondContact O-N 3.14Å; L101-A104 PolarHBondContact O-N 3.19Å; A104-Y106 VanDerWaalsContact C-N 3.32Å; A104-Y106 PolarHBondContact O-N 3.19Å; A104-M107 PolarHBondContact O-N 3.41Å; A104-R108 WeakPolarHBondContact O-CB 3.23Å; A104-R108 PolarHBondContact O-N 3.34Å; A104-L120 HydrophobicContact CB-CD2 3.5Å; A104-L120 VanDerWaalsContact CB-CD2 3.5Å; A104-L123 HydrophobicContact CB-CD1 3.98Å; A104-I148 HydrophobicContact CB-CD1 3.67Å; A104-L151 HydrophobicContact CB-CD1 4.17Å
105M92.8Very high90.9Very high0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-60.3-42.2176.1-176.864175.600111.4F70 T74 L101 L102 R108 L109 L151 V157 C158 I160 L162F70-M105 HydrophobicContact CE1-CB 4.45Å; F70-M105 HydrophobicContact CE1-CG 4.32Å; F70-M105 HydrophobicContact CZ-CB 4.12Å; F70-M105 HydrophobicContact CZ-CG 4.48Å; T74-M105 HydrophobicContact CG2-CG 4.01Å; L101-M105 WeakPolarHBondContact O-CB 3.39Å; L101-M105 PolarHBondContact O-N 3.35Å; L102-M105 PolarHBondContact O-N 2.93Å; M105-R108 PolarHBondContact O-N 3.3Å; M105-L109 HydrophobicContact CE-CD1 4.2Å; M105-L109 HydrophobicContact CG-CD1 4.34Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.33Å; M105-L109 PolarHBondContact O-N 3.24Å; M105-L151 HydrophobicContact SD-CD2 3.24Å; M105-L151 WeakPolarHBondContact SD-CD2 3.31Å; M105-V157 HydrophobicContact CE-CB 4.41Å; M105-V157 HydrophobicContact CE-CG1 4.48Å; M105-V157 WeakPolarHBondContact CE-O 3.42Å; M105-V157 HydrophobicContact SD-CG1 4.37Å; M105-C158 HydrophobicContact CE-CB 4.34Å; M105-I160 HydrophobicContact CE-CB 3.99Å; M105-I160 HydrophobicContact CE-CD1 3.67Å; M105-I160 HydrophobicContact CE-CG1 4.3Å; M105-L162 HydrophobicContact CE-CD2 4.08Å; M105-L162 HydrophobicContact SD-CD2 4.46Å
106Y92.9Very high91Very high3 Ų319.7 Ų19.71%0.01211%0.106CC..Hα-helixtrans-67.6-44.3178.8-174.6-88.4000112.4M77 L78 P82 I87 L102 G103 A104 R108 L109 T110M77-Y106 VanDerWaalsContact C-CE2 3.43Å; M77-Y106 HydrophobicContact CB-CD2 3.51Å; M77-Y106 HydrophobicContact CB-CE2 3.69Å; M77-Y106 HydrophobicContact CB-CG 4.38Å; M77-Y106 HydrophobicContact CE-CD1 4.35Å; M77-Y106 HydrophobicContact CE-CD2 4.16Å; M77-Y106 HydrophobicContact CE-CG 3.87Å; M77-Y106 WeakPolarHBondContact O-CE2 3.33Å; L78-Y106 HydrophobicContact CD2-CD2 4.2Å; L78-Y106 HydrophobicContact CD2-CE2 3.75Å; L78-Y106 HydrophobicContact CG-CD2 4.41Å; L78-Y106 HydrophobicContact CG-CE2 4.14Å; P82-Y106 HydrophobicContact CG-CE1 4.36Å; I87-Y106 HydrophobicContact CD1-CD1 3.33Å; I87-Y106 HydrophobicContact CD1-CE1 3.15Å; I87-Y106 HydrophobicContact CG1-CD1 3.76Å; I87-Y106 HydrophobicContact CG1-CE1 3.99Å; I87-Y106 HydrophobicContact CG2-CD1 4.14Å; L102-Y106 WeakPolarHBondContact O-CB 3.5Å; L102-Y106 PolarHBondContact O-N 3.11Å; G103-Y106 PolarHBondContact O-N 3.16Å; A104-Y106 VanDerWaalsContact C-N 3.32Å; A104-Y106 PolarHBondContact O-N 3.19Å; Y106-R108 VanDerWaalsContact C-N 3.27Å; Y106-R108 PolarHBondContact O-N 3.49Å; Y106-L109 PolarHBondContact O-N 3.32Å; Y106-L109 VanDerWaalsContact O-N 3.16Å; Y106-T110 HydrophobicContact CD1-CG2 4.43Å; Y106-T110 WeakPolarHBondContact CD1-OG1 3.43Å; Y106-T110 HydrophobicContact CD2-CG2 4.37Å; Y106-T110 HydrophobicContact CE1-CG2 3.9Å; Y106-T110 WeakPolarHBondContact CE1-OG1 3.31Å; Y106-T110 HydrophobicContact CE2-CG2 3.88Å; Y106-T110 PolarHBondContact O-N 3.36Å; Y106-T110 VanDerWaalsContact O-N 3.09Å; Y106-T110 PolarHBondContact O-OG1 3.2Å
107M92.1Very high91Very high4 Ų416.8 Ų16.82%0.029%0.092CC..Hα-helixtrans-59.3-41.6175.5-172.164.477.300110.5K84 I87 V88 I91 G103 A104 L109 T110 G111 D115 Y119K84-M107 HydrophobicContact CG-CE 4.46Å; I87-M107 HydrophobicContact CB-CE 4.26Å; I87-M107 HydrophobicContact CG2-CB 4.27Å; I87-M107 HydrophobicContact CG2-CE 3.75Å; V88-M107 HydrophobicContact CG2-CE 4.15Å; I91-M107 HydrophobicContact CD1-CB 4.06Å; I91-M107 HydrophobicContact CD1-CE 4.07Å; I91-M107 HydrophobicContact CD1-CG 4.36Å; G103-M107 WeakPolarHBondContact O-CB 3.43Å; G103-M107 PolarHBondContact O-N 3.18Å; A104-M107 PolarHBondContact O-N 3.41Å; M107-L109 VanDerWaalsContact C-N 3.29Å; M107-L109 PolarHBondContact O-N 2.82Å; M107-T110 PolarHBondContact O-N 2.93Å; M107-G111 VanDerWaalsContact O-CA 3.25Å; M107-G111 WeakPolarHBondContact O-CA 3.46Å; M107-G111 PolarHBondContact O-N 3.32Å; M107-D115 HydrophobicContact SD-CB 4.22Å; M107-Y119 HydrophobicContact CE-CD2 3.99Å; M107-Y119 HydrophobicContact CE-CE2 4.41Å; M107-Y119 HydrophobicContact CE-CG 4.49Å
108R91.8Very high90.8Very high9 Ų920 Ų203%0.03411%0.107CC..Hα-helixtrans-63-32.6177.5179.157.9-174.389.2-2.2113.9A104 M105 Y106 L120 L151 L162 P163A104-R108 WeakPolarHBondContact O-CB 3.23Å; A104-R108 PolarHBondContact O-N 3.34Å; M105-R108 PolarHBondContact O-N 3.3Å; Y106-R108 VanDerWaalsContact C-N 3.27Å; Y106-R108 PolarHBondContact O-N 3.49Å; R108-L120 HydrophobicContact CB-CD1 4.3Å; R108-L151 WeakPolarHBondContact CD-O 3.45Å; R108-L151 HydrophobicContact CG-CB 4.31Å; R108-L151 HydrophobicContact CG-CD2 4.35Å; R108-L151 PolarHBondContact NE-O 3.06Å; R108-L162 HydrophobicContact CG-CD1 4.16Å; R108-L162 HydrophobicContact CG-CD2 4.15Å; R108-P163 PolarHBondContact NH1-O 3.2Å; R108-P163 PolarHBondContact NH2-O 3.15Å
109L90.8Very high90.7Very high0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-84.4-26.2-178.2-72.8174.4000113.9H13 L20 T74 L78 M105 Y106 M107 I160 L162H13-L109 PolarHBondContact NE2-O 3.48Å; L20-L109 HydrophobicContact CD1-CB 4.16Å; L20-L109 WeakPolarHBondContact CD1-O 3.34Å; T74-L109 HydrophobicContact CG2-CD1 3.9Å; L78-L109 HydrophobicContact CD1-CD1 4.27Å; M105-L109 HydrophobicContact CE-CD1 4.2Å; M105-L109 HydrophobicContact CG-CD1 4.34Å; M105-L109 VanDerWaalsContact O-CG 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.33Å; M105-L109 PolarHBondContact O-N 3.24Å; Y106-L109 PolarHBondContact O-N 3.32Å; Y106-L109 VanDerWaalsContact O-N 3.16Å; M107-L109 VanDerWaalsContact C-N 3.29Å; M107-L109 PolarHBondContact O-N 2.82Å; L109-I160 HydrophobicContact CD1-CD1 4.24Å; L109-I160 HydrophobicContact CD1-CG2 4.47Å; L109-I160 HydrophobicContact CD2-CG2 3.69Å; L109-L162 HydrophobicContact CD2-CD2 3.57Å; L109-L162 HydrophobicContact CG-CD2 4.35Å
110T89.9Confident90.4Very high32 Ų3221.7 Ų21.720%0.19611%0.113CC..Hα-helixtrans-124-23.9-167.962.60000114.2I12 L78 Y106 M107I12-T110 HydrophobicContact CD1-CG2 3.47Å; I12-T110 VanDerWaalsContact CD1-CG2 3.47Å; I12-T110 HydrophobicContact CG2-CG2 4.27Å; L78-T110 HydrophobicContact CD2-CG2 3.52Å; Y106-T110 HydrophobicContact CD1-CG2 4.43Å; Y106-T110 WeakPolarHBondContact CD1-OG1 3.43Å; Y106-T110 HydrophobicContact CD2-CG2 4.37Å; Y106-T110 HydrophobicContact CE1-CG2 3.9Å; Y106-T110 WeakPolarHBondContact CE1-OG1 3.31Å; Y106-T110 HydrophobicContact CE2-CG2 3.88Å; Y106-T110 PolarHBondContact O-N 3.36Å; Y106-T110 VanDerWaalsContact O-N 3.09Å; Y106-T110 PolarHBondContact O-OG1 3.2Å; M107-T110 PolarHBondContact O-N 2.93Å
111G87.3Confident90.2Very high12 Ų1222.5 Ų22.512%0.12412%0.118CC..SBendtrans-74.7163.9-17800000113M107M107-G111 VanDerWaalsContact O-CA 3.25Å; M107-G111 WeakPolarHBondContact O-CA 3.46Å; M107-G111 PolarHBondContact O-N 3.32Å
112T88.4Confident90Very high78 Ų7826.2 Ų26.248%0.47914%0.142SC..  trans-72.1160.3168.565.20000110V114 D115 C116T112-V114 PolarHBondContact O-N 3.11Å; T112-D115 PolarHBondContact O-N 2.83Å; T112-D115 PolarHBondContact OG1-N 2.98Å; T112-D115 PolarHBondContact OG1-OD2 3.42Å; T112-C116 PolarHBondContact O-N 3.4Å; T112-C116 PolarHBondContact O-SG 3.28Å
113A87.2Confident89.8Confident23 Ų2326.6 Ų26.619%0.1914%0.144CC..Hα-helixtrans-58.2-39.5177.600000112C116 Y117 L165 L171A113-C116 WeakPolarHBondContact O-CB 3.39Å; A113-C116 PolarHBondContact O-N 2.96Å; A113-Y117 WeakPolarHBondContact O-CD2 3.36Å; A113-Y117 PolarHBondContact O-N 3.31Å; A113-Y117 VanDerWaalsContact O-N 3.07Å; A113-L165 HydrophobicContact CB-CD2 3.66Å; A113-L171 HydrophobicContact CB-CD1 3.87Å
114V87.4Confident89.5Confident34 Ų3427.9 Ų27.921%0.20615%0.149CC..Hα-helixtrans-60.1-46.9176.2-179.80000111.2T112 C116 Y117 K118 M176 L177T112-V114 PolarHBondContact O-N 3.11Å; V114-C116 VanDerWaalsContact C-N 3.34Å; V114-C116 PolarHBondContact O-N 3.34Å; V114-Y117 PolarHBondContact O-N 3.35Å; V114-K118 VanDerWaalsContact O-CB 3.31Å; V114-K118 WeakPolarHBondContact O-CB 3.32Å; V114-K118 PolarHBondContact O-N 2.9Å; V114-M176 HydrophobicContact CG2-CB 4.25Å; V114-M176 HydrophobicContact CG2-CE 4.32Å; V114-L177 HydrophobicContact CB-CD2 4.47Å; V114-L177 HydrophobicContact CG1-CD2 3.81Å; V114-L177 HydrophobicContact CG1-CG 4.32Å; V114-L177 HydrophobicContact CG2-CG 4.42Å
115D89.4Confident89.3Confident28 Ų2832.5 Ų32.515%0.1517%0.173CC..Hα-helixtrans-65.1-38.6177.8-68.8-43.2000112.2K84 M107 T112 K118 Y119K84-D115 IonicContact NZ-OD1 2.76Å; K84-D115 PolarHBondContact NZ-OD1 2.96Å; K84-D115 IonicContact NZ-OD2 3.31Å; K84-D115 PolarHBondContact NZ-OD2 2.97Å; M107-D115 HydrophobicContact SD-CB 4.22Å; T112-D115 PolarHBondContact O-N 2.83Å; T112-D115 PolarHBondContact OG1-N 2.98Å; T112-D115 PolarHBondContact OG1-OD2 3.42Å; D115-K118 PolarHBondContact O-N 3.38Å; D115-Y119 HydrophobicContact CB-CD2 4.22Å; D115-Y119 HydrophobicContact CB-CE2 4.39Å; D115-Y119 WeakPolarHBondContact O-CD2 3.29Å; D115-Y119 PolarHBondContact O-N 3.04Å
116C89.6Confident89.2Confident0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-58-52.1176.3-66.30000110.2T112 A113 V114 L120 L165T112-C116 PolarHBondContact O-N 3.4Å; T112-C116 PolarHBondContact O-SG 3.28Å; A113-C116 WeakPolarHBondContact O-CB 3.39Å; A113-C116 PolarHBondContact O-N 2.96Å; V114-C116 VanDerWaalsContact C-N 3.34Å; V114-C116 PolarHBondContact O-N 3.34Å; C116-L120 HydrophobicContact CB-CD1 4.13Å; C116-L120 WeakPolarHBondContact O-CB 3.48Å; C116-L120 WeakPolarHBondContact O-CD1 3.37Å; C116-L120 WeakPolarHBondContact O-CG 3.35Å; C116-L120 PolarHBondContact O-N 3.41Å; C116-L165 HydrophobicContact CB-CD1 4.5Å; C116-L165 HydrophobicContact CB-CD2 4.42Å
117Y88.7Confident89.1Confident21 Ų2140 Ų408%0.08220%0.204CC..Hα-helixtrans-63.6-48.4179.5-71.3-55.5000112A113 V114 Y119 E121 L152 Q166 L171 L177A113-Y117 WeakPolarHBondContact O-CD2 3.36Å; A113-Y117 PolarHBondContact O-N 3.31Å; A113-Y117 VanDerWaalsContact O-N 3.07Å; V114-Y117 PolarHBondContact O-N 3.35Å; Y117-Y119 PolarHBondContact O-N 3.43Å; Y117-E121 WeakPolarHBondContact CB-OE1 3.35Å; Y117-E121 WeakPolarHBondContact CD1-OE1 3.44Å; Y117-E121 WeakPolarHBondContact O-CB 3.34Å; Y117-E121 VanDerWaalsContact O-CD 3.27Å; Y117-E121 WeakPolarHBondContact O-CG 3.45Å; Y117-E121 PolarHBondContact O-N 3.08Å; Y117-L152 HydrophobicContact CD1-CD2 4.17Å; Y117-L152 HydrophobicContact CE1-CD2 4Å; Y117-Q166 PolarHBondContact OH-O 3.19Å; Y117-L171 HydrophobicContact CD2-CD1 3.77Å; Y117-L171 HydrophobicContact CE2-CD1 3.58Å; Y117-L177 HydrophobicContact CD2-CD1 3.57Å; Y117-L177 HydrophobicContact CE2-CD1 4.48Å; Y117-L177 HydrophobicContact CG-CD1 4.06Å
118K88.8Confident89.1Confident133 Ų13343.4 Ų43.458%0.57822%0.216SC*.Hα-helixtrans-58.9-40.1-178.4-174.8172.4-176.6169.70114.4V114 D115 P122V114-K118 VanDerWaalsContact O-CB 3.31Å; V114-K118 WeakPolarHBondContact O-CB 3.32Å; V114-K118 PolarHBondContact O-N 2.9Å; D115-K118 PolarHBondContact O-N 3.38Å; K118-P122 WeakPolarHBondContact O-CD 3.36Å
119Y89.6Confident89.2Confident58 Ų5848.9 Ų48.923%0.22724%0.24CC..Hα-helixtrans-96.8-24.6-176-67.6-68.9000114V88 M107 D115 Y117V88-Y119 HydrophobicContact CB-CE1 4.42Å; V88-Y119 HydrophobicContact CG1-CD1 4.4Å; V88-Y119 HydrophobicContact CG1-CE1 3.82Å; V88-Y119 HydrophobicContact CG2-CD1 4.23Å; V88-Y119 HydrophobicContact CG2-CE1 3.68Å; V88-Y119 HydrophobicContact CG2-CE2 4.14Å; M107-Y119 HydrophobicContact CE-CD2 3.99Å; M107-Y119 HydrophobicContact CE-CE2 4.41Å; M107-Y119 HydrophobicContact CE-CG 4.49Å; D115-Y119 HydrophobicContact CB-CD2 4.22Å; D115-Y119 HydrophobicContact CB-CE2 4.39Å; D115-Y119 WeakPolarHBondContact O-CD2 3.29Å; D115-Y119 PolarHBondContact O-N 3.04Å; Y117-Y119 PolarHBondContact O-N 3.43Å
120L88.1Confident89.4Confident0 Ų048.9 Ų48.90%024%0.241CC..Hα-helixtrans-88.1-29.6-180-59.5175.7000112.3A104 R108 C116 L123 I148 L152A104-L120 HydrophobicContact CB-CD2 3.5Å; A104-L120 VanDerWaalsContact CB-CD2 3.5Å; R108-L120 HydrophobicContact CB-CD1 4.3Å; C116-L120 HydrophobicContact CB-CD1 4.13Å; C116-L120 WeakPolarHBondContact O-CB 3.48Å; C116-L120 WeakPolarHBondContact O-CD1 3.37Å; C116-L120 WeakPolarHBondContact O-CG 3.35Å; C116-L120 PolarHBondContact O-N 3.41Å; L120-L123 HydrophobicContact CD2-CD1 4.03Å; L120-L123 VanDerWaalsContact O-CB 3.25Å; L120-L123 WeakPolarHBondContact O-CB 3.43Å; L120-L123 PolarHBondContact O-N 2.98Å; L120-I148 HydrophobicContact CB-CG2 4.05Å; L120-I148 HydrophobicContact CD2-CD1 4.4Å; L120-L152 HydrophobicContact CB-CD1 4.33Å; L120-L152 HydrophobicContact CB-CD2 4.46Å; L120-L152 HydrophobicContact CD1-CD2 3.7Å; L120-L152 HydrophobicContact CD1-CG 4.26Å
121E87.1Confident89.6Confident38 Ų3853.3 Ų53.318%0.17826%0.257CS..G310 helixtrans-61.6-42.4-179.3-76.7166.7-160.600114.5Y117 L123 Y124 R168Y117-E121 WeakPolarHBondContact CB-OE1 3.35Å; Y117-E121 WeakPolarHBondContact CD1-OE1 3.44Å; Y117-E121 WeakPolarHBondContact O-CB 3.34Å; Y117-E121 VanDerWaalsContact O-CD 3.27Å; Y117-E121 WeakPolarHBondContact O-CG 3.45Å; Y117-E121 PolarHBondContact O-N 3.08Å; E121-L123 PolarHBondContact O-N 2.9Å; E121-L123 VanDerWaalsContact O-N 3.07Å; E121-Y124 WeakPolarHBondContact O-CB 3.47Å; E121-Y124 WeakPolarHBondContact O-CD2 3.37Å; E121-Y124 PolarHBondContact O-N 2.94Å; E121-R168 IonicContact OE1-CZ 3.98Å; E121-R168 IonicContact OE1-NH1 2.77Å; E121-R168 PolarHBondContact OE1-NH1 3.44Å; E121-R168 IonicContact OE2-CZ 3.86Å; E121-R168 IonicContact OE2-NH1 3.75Å; E121-R168 PolarHBondContact OE2-NH1 3.31Å; E121-R168 IonicContact OE2-NH2 2.67Å
122P89.1Confident89.8Confident78 Ų7853.4 Ų53.451%0.50626%0.256SS..G310 helixtrans-60.1-21.3174.5-25.536000113.5K118 Y124 N125K118-P122 WeakPolarHBondContact O-CD 3.36Å; P122-Y124 VanDerWaalsContact C-N 3.26Å; P122-Y124 PolarHBondContact O-N 3.46Å; P122-N125 PolarHBondContact O-N 3.45Å
123L88.1Confident89.9Confident7 Ų750.5 Ų50.54%0.03724%0.237CC..G310 helixtrans-77.1-11.2179.2-54.4-178.4000113.1I91 R100 A104 L120 E121 N125 D126 I148I91-L123 HydrophobicContact CG2-CD1 4.02Å; I91-L123 HydrophobicContact CG2-CD2 3.96Å; I91-L123 HydrophobicContact CG2-CG 4.27Å; R100-L123 HydrophobicContact CG-CD1 4.33Å; R100-L123 HydrophobicContact CG-CD2 4.09Å; A104-L123 HydrophobicContact CB-CD1 3.98Å; L120-L123 HydrophobicContact CD2-CD1 4.03Å; L120-L123 VanDerWaalsContact O-CB 3.25Å; L120-L123 WeakPolarHBondContact O-CB 3.43Å; L120-L123 PolarHBondContact O-N 2.98Å; E121-L123 PolarHBondContact O-N 2.9Å; E121-L123 VanDerWaalsContact O-N 3.07Å; L123-N125 PolarHBondContact O-N 3.19Å; L123-D126 WeakPolarHBondContact O-CB 3.45Å; L123-D126 PolarHBondContact O-N 2.86Å; L123-D126 VanDerWaalsContact O-N 3.15Å; L123-I148 HydrophobicContact CB-CD1 4.21Å; L123-I148 HydrophobicContact CB-CG1 3.83Å; L123-I148 HydrophobicContact CB-CG2 4.48Å; L123-I148 HydrophobicContact CD1-CD1 3.75Å; L123-I148 HydrophobicContact CD1-CG1 4.31Å
124Y87.4Confident90Very high27 Ų2751.5 Ų51.511%0.10624%0.239CC..G310 helixtrans-63.6-23.6170.8-81.8-64.3000112.8E121 P122 D126 D145 I148 D149 L152E121-Y124 WeakPolarHBondContact O-CB 3.47Å; E121-Y124 WeakPolarHBondContact O-CD2 3.37Å; E121-Y124 PolarHBondContact O-N 2.94Å; P122-Y124 VanDerWaalsContact C-N 3.26Å; P122-Y124 PolarHBondContact O-N 3.46Å; Y124-D126 PolarHBondContact O-N 3.47Å; Y124-D145 HydrophobicContact CD1-CB 4.29Å; Y124-I148 HydrophobicContact CE2-CG2 4.47Å; Y124-D149 HydrophobicContact CE1-CB 3.85Å; Y124-D149 PolarHBondContact OH-OD1 2.97Å; Y124-L152 HydrophobicContact CE2-CD1 3.86Å
125N88.9Confident90Very high97 Ų9758.3 Ų58.352%0.51926%0.261SS..G310 helixtrans-77.2-0.8177.3-62.4-23.7000112.8P122 L123P122-N125 PolarHBondContact O-N 3.45Å; L123-N125 PolarHBondContact O-N 3.19Å
126D89.9Confident89.8Confident12 Ų1263.3 Ų63.36%0.06429%0.288CS..  trans-96.398-179.3-167.1-17.8000111.2R100 L123 Y124 R128 V144 D145R100-D126 WeakPolarHBondContact CD-OD2 3.11Å; R100-D126 IonicContact CZ-OD2 3.37Å; R100-D126 IonicContact NE-OD2 2.87Å; R100-D126 IonicContact NH1-OD2 3Å; R100-D126 PolarHBondContact NH1-OD2 3.02Å; L123-D126 WeakPolarHBondContact O-CB 3.45Å; L123-D126 PolarHBondContact O-N 2.86Å; L123-D126 VanDerWaalsContact O-N 3.15Å; Y124-D126 PolarHBondContact O-N 3.47Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.04Å; D126-R128 VanDerWaalsContact OD1-CB 3.24Å; D126-R128 WeakPolarHBondContact OD1-CB 3.49Å; D126-R128 WeakPolarHBondContact OD1-CD 3.25Å; D126-R128 WeakPolarHBondContact OD1-CG 3.44Å; D126-R128 IonicContact OD1-CZ 3.64Å; D126-R128 PolarHBondContact OD1-N 3.44Å; D126-R128 IonicContact OD1-NE 2.82Å; D126-R128 PolarHBondContact OD1-NE 3.36Å; D126-R128 IonicContact OD1-NH2 3.87Å; D126-R128 IonicContact OD2-CZ 3.05Å; D126-R128 VanDerWaalsContact OD2-CZ 3.31Å; D126-R128 IonicContact OD2-NE 3.73Å; D126-R128 PolarHBondContact OD2-NE 3.01Å; D126-R128 VanDerWaalsContact OD2-NE 3.14Å; D126-R128 IonicContact OD2-NH2 2.81Å; D126-R128 PolarHBondContact OD2-NH2 3.1Å; D126-V144 HydrophobicContact CB-CB 4.19Å; D126-V144 HydrophobicContact CB-CG1 3.8Å; D126-V144 WeakPolarHBondContact O-CB 3.28Å; D126-D145 PolarHBondContact O-N 3.04Å
127Y90.9Very high89.6Confident148 Ų14864.4 Ų64.458%0.5830%0.299SS*.  trans-90.520.2-179.5-55.2-67.4000113.8D145Y127-D145 HydrophobicContact CD1-CB 4.45Å; Y127-D145 WeakPolarHBondContact CD1-OD2 3.5Å
128R92.6Very high89.7Confident76 Ų7669.5 Ų69.529%0.28732%0.323SS..  trans-72139.5-176.6-69.1-179.8-64.5172.3-7.4111.5E94 D126 V144E94-R128 PolarHBondContact O-NH1 3.12Å; E94-R128 PolarHBondContact O-NH2 3.43Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.04Å; D126-R128 VanDerWaalsContact OD1-CB 3.24Å; D126-R128 WeakPolarHBondContact OD1-CB 3.49Å; D126-R128 WeakPolarHBondContact OD1-CD 3.25Å; D126-R128 WeakPolarHBondContact OD1-CG 3.44Å; D126-R128 IonicContact OD1-CZ 3.64Å; D126-R128 PolarHBondContact OD1-N 3.44Å; D126-R128 IonicContact OD1-NE 2.82Å; D126-R128 PolarHBondContact OD1-NE 3.36Å; D126-R128 IonicContact OD1-NH2 3.87Å; D126-R128 IonicContact OD2-CZ 3.05Å; D126-R128 VanDerWaalsContact OD2-CZ 3.31Å; D126-R128 IonicContact OD2-NE 3.73Å; D126-R128 PolarHBondContact OD2-NE 3.01Å; D126-R128 VanDerWaalsContact OD2-NE 3.14Å; D126-R128 IonicContact OD2-NH2 2.81Å; D126-R128 PolarHBondContact OD2-NH2 3.1Å; R128-V144 HydrophobicContact CB-CG2 4.35Å; R128-V144 WeakPolarHBondContact O-CG2 3.49Å; R128-V144 PolarHBondContact O-N 3.36Å; R128-V144 VanDerWaalsContact O-N 3.09Å
129K94.4Very high89.9Confident124 Ų12468.7 Ų68.754%0.53932%0.32SS..EExtended strand (participates in β ladder)trans-74.4131.5177.6-61.9179.3175.3-173.70111.4K97 L141 M142K97-K129 PolarHBondContact NZ-O 3.36Å; K129-L141 HydrophobicContact CB-CD1 4.38Å; K129-L141 HydrophobicContact CB-CD2 4.12Å; K129-L141 HydrophobicContact CB-CG 4.3Å; K129-L141 HydrophobicContact CD-CD1 4.11Å; K129-L141 HydrophobicContact CD-CD2 3.87Å; K129-L141 HydrophobicContact CD-CG 4.48Å; K129-L141 HydrophobicContact CG-CD2 3.92Å; K129-M142 CarbonylContact C-O 3.53Å; K129-M142 WeakPolarHBondContact CA-O 3.48Å
130I94Very high90Very high1 Ų170.5 Ų70.51%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-122.7153.5177.657166.6000110.2V57 K97 Y98 L101 M142 H143 V144 F147V57-I130 HydrophobicContact CG2-CD1 4.49Å; K97-I130 HydrophobicContact CD-CG2 3.89Å; K97-I130 HydrophobicContact CG-CG2 4.25Å; Y98-I130 HydrophobicContact CE1-CB 4.22Å; Y98-I130 HydrophobicContact CE1-CG2 4.27Å; L101-I130 HydrophobicContact CD1-CB 4.39Å; L101-I130 HydrophobicContact CD1-CD1 3.54Å; L101-I130 HydrophobicContact CD1-CG2 3.91Å; I130-M142 HydrophobicContact CD1-CB 4.3Å; I130-M142 HydrophobicContact CG1-CB 3.98Å; I130-M142 VanDerWaalsContact CG1-O 3.25Å; I130-M142 WeakPolarHBondContact CG1-O 3.38Å; I130-M142 PolarHBondContact N-O 3.26Å; I130-M142 PolarHBondContact O-N 3.34Å; I130-M142 VanDerWaalsContact O-O 3.11Å; I130-H143 WeakPolarHBondContact CD1-O 3.49Å; I130-V144 HydrophobicContact CG2-CG2 3.59Å; I130-F147 HydrophobicContact CD1-CB 3.88Å; I130-F147 HydrophobicContact CD1-CG 4.29Å
131K93.9Very high90.3Very high124 Ų12475.7 Ų75.754%0.53936%0.358SS..EExtended strand (participates in β ladder)trans-93121173.1-66.4-178.2179.1-179.60108.2F56 V57 Y98F56-K131 CarbonylContact C-O 3.56Å; F56-K131 WeakPolarHBondContact CA-O 3.49Å; F56-K131 HydrophobicContact CB-CB 3.9Å; F56-K131 WeakPolarHBondContact CB-O 3.28Å; V57-K131 PolarHBondContact N-O 3.35Å; Y98-K131 PolarHBondContact OH-N 3.49Å
132S92.1Very high90.6Very high14 Ų1474.9 Ų74.910%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-102.9139170.6-1710000109.5V57 F139 E140 M142V57-S132 CarbonylContact O-C 3.59Å; V57-S132 WeakPolarHBondContact O-CA 3.44Å; S132-F139 CarbonylContact O-C 3.53Å; S132-F139 VanDerWaalsContact O-CA 3.32Å; S132-F139 WeakPolarHBondContact O-CA 3.03Å; S132-E140 PolarHBondContact N-O 3.32Å; S132-E140 PolarHBondContact O-N 2.89Å; S132-M142 WeakPolarHBondContact CB-SD 3.47Å; S132-M142 PolarHBondContact OG-SD 3.2Å; S132-M142 VanDerWaalsContact OG-SD 3.38Å
133Q91.7Very high90.8Very high17 Ų1773.5 Ų73.58%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-103.7119.7175.6-172.217232.200109.8F56 V57 G137 F139F56-Q133 HydrophobicContact CD2-CB 4.05Å; F56-Q133 VanDerWaalsContact CE2-OE1 3.25Å; V57-Q133 PolarHBondContact O-N 3.48Å; Q133-G137 PolarHBondContact NE2-O 2.84Å; Q133-F139 HydrophobicContact CB-CD1 4.1Å; Q133-F139 HydrophobicContact CB-CE1 3.96Å; Q133-F139 HydrophobicContact CG-CD1 4.36Å; Q133-F139 HydrophobicContact CG-CE1 4.07Å
134N89.3Confident90.9Very high45 Ų4573.1 Ų73.124%0.24134%0.339CS..PPolyproline II helixtrans-75.8166.5178.7-78.90.2000112.7N136 G137 E138 E140N134-N136 PolarHBondContact O-N 3.15Å; N134-N136 VanDerWaalsContact O-N 3.12Å; N134-G137 WeakPolarHBondContact O-CA 3.24Å; N134-G137 PolarHBondContact O-N 2.8Å; N134-E138 PolarHBondContact N-O 3.2Å; N134-E140 PolarHBondContact ND2-OE1 3.25Å; N134-E140 PolarHBondContact ND2-OE2 3.45Å; N134-E140 PolarHBondContact OD1-OE2 3.31Å
135R86.5Confident91.2Very high176 Ų17673.5 Ų73.566%0.66434%0.343SS*.THydrogen-bonded Turntrans-57.6-27.6175.2-167.7170.6-179.7177.91.7113.2Y61 G62 G137Y61-R135 CarbonylContact C-O 3.49Å; Y61-R135 WeakPolarHBondContact CA-O 3.3Å; G62-R135 PolarHBondContact N-O 3.43Å; R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.44Å
136N86Confident91.3Very high134 Ų13472.8 Ų72.872%0.71734%0.336SS*.THydrogen-bonded Turntrans-78.9-10.9175.9-64.6-12.9000113.1N134N134-N136 PolarHBondContact O-N 3.15Å; N134-N136 VanDerWaalsContact O-N 3.12Å
137G84.4Confident91.5Very high22 Ų2272.4 Ų72.423%0.22733%0.334CS..SBendtrans89.9-0.3-17800000114.5Q133 N134 R135Q133-G137 PolarHBondContact NE2-O 2.84Å; N134-G137 WeakPolarHBondContact O-CA 3.24Å; N134-G137 PolarHBondContact O-N 2.8Å; R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.44Å
138E91Very high91.5Very high128 Ų12865.3 Ų65.360%0.59831%0.306SS*.PPolyproline II helixtrans-74148.5172.8-65.5179.6163.700110.7N134N134-E138 PolarHBondContact N-O 3.2Å
139F92.6Very high91.5Very high117 Ų11764.9 Ų64.951%0.51331%0.31SS..EExtended strand (participates in β ladder)trans-98.1120.9178.2-67.2-77000109.7F56 S132 Q133F56-F139 HydrophobicContact CB-CD1 4.27Å; F56-F139 HydrophobicContact CB-CE1 3.96Å; F56-F139 AromaticContact CD1-CE1 3.78Å; F56-F139 HydrophobicContact CD1-CE1 3.78Å; F56-F139 HydrophobicContact CD1-CZ 4.3Å; F56-F139 HydrophobicContact CD2-CE1 4.05Å; F56-F139 HydrophobicContact CE1-CE1 4.27Å; F56-F139 HydrophobicContact CE1-CZ 4.42Å; F56-F139 HydrophobicContact CE2-CE1 4.49Å; F56-F139 HydrophobicContact CG-CD1 4.46Å; F56-F139 AromaticContact CG-CE1 3.67Å; F56-F139 HydrophobicContact CG-CE1 3.67Å; S132-F139 CarbonylContact O-C 3.53Å; S132-F139 VanDerWaalsContact O-CA 3.32Å; S132-F139 WeakPolarHBondContact O-CA 3.03Å; Q133-F139 HydrophobicContact CB-CD1 4.1Å; Q133-F139 HydrophobicContact CB-CE1 3.96Å; Q133-F139 HydrophobicContact CG-CD1 4.36Å; Q133-F139 HydrophobicContact CG-CE1 4.07Å
140E92.5Very high91.3Very high96 Ų9663.1 Ų63.145%0.44930%0.303SS..EExtended strand (participates in β ladder)trans-103.4153.7171.4-72.8-177.7175.300110.2S132 N134S132-E140 PolarHBondContact N-O 3.32Å; S132-E140 PolarHBondContact O-N 2.89Å; N134-E140 PolarHBondContact ND2-OE1 3.25Å; N134-E140 PolarHBondContact ND2-OE2 3.45Å; N134-E140 PolarHBondContact OD1-OE2 3.31Å
141L93.6Very high91.2Very high108 Ų10863.1 Ų63.157%0.56530%0.303SS*.EExtended strand (participates in β ladder)trans-97.5121.4175.6-170.3146.8000107.2K129K129-L141 HydrophobicContact CB-CD1 4.38Å; K129-L141 HydrophobicContact CB-CD2 4.12Å; K129-L141 HydrophobicContact CB-CG 4.3Å; K129-L141 HydrophobicContact CD-CD1 4.11Å; K129-L141 HydrophobicContact CD-CD2 3.87Å; K129-L141 HydrophobicContact CD-CG 4.48Å; K129-L141 HydrophobicContact CG-CD2 3.92Å
142M93.1Very high90.9Very high21 Ų2157.9 Ų57.910%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-123.3167.9175.1-75.8170.445.700108.9K129 I130 S132 E146 F147K129-M142 CarbonylContact C-O 3.53Å; K129-M142 WeakPolarHBondContact CA-O 3.48Å; I130-M142 HydrophobicContact CD1-CB 4.3Å; I130-M142 HydrophobicContact CG1-CB 3.98Å; I130-M142 VanDerWaalsContact CG1-O 3.25Å; I130-M142 WeakPolarHBondContact CG1-O 3.38Å; I130-M142 PolarHBondContact N-O 3.26Å; I130-M142 PolarHBondContact O-N 3.34Å; I130-M142 VanDerWaalsContact O-O 3.11Å; S132-M142 WeakPolarHBondContact CB-SD 3.47Å; S132-M142 PolarHBondContact OG-SD 3.2Å; S132-M142 VanDerWaalsContact OG-SD 3.38Å; M142-E146 WeakPolarHBondContact CA-OE2 3.27Å; M142-F147 HydrophobicContact CE-CB 4.11Å; M142-F147 HydrophobicContact CE-CD2 4Å
143H93.1Very high90.7Very high49 Ų4963.3 Ų63.323%0.22731%0.305CS..EExtended strand (participates in β ladder)trans-103164171.2-56.691.6000111.1I130 D145 E146 F147I130-H143 WeakPolarHBondContact CD1-O 3.49Å; H143-D145 WeakPolarHBondContact CB-OD1 3.35Å; H143-E146 HydrophobicContact CB-CB 4.46Å; H143-E146 HydrophobicContact CB-CG 4.1Å; H143-E146 IonicContact CE1-OE1 3.36Å; H143-E146 IonicContact CG-OE1 2.65Å; H143-E146 PolarHBondContact N-OE2 3.39Å; H143-E146 VanDerWaalsContact ND1-CD 3.35Å; H143-E146 IonicContact ND1-OE1 3.82Å; H143-E146 PolarHBondContact ND1-OE1 3.2Å; H143-E146 IonicContact ND1-OE2 3.84Å; H143-E146 PolarHBondContact ND1-OE2 3.15Å; H143-F147 PolarHBondContact O-N 3.35Å
144V92.1Very high90.5Very high0 Ų064.2 Ų64.20%032%0.315CS..Hα-helixtrans-70.1-48.1-178.6165.40000110.2L101 D126 R128 I130 E146 F147 I148L101-V144 HydrophobicContact CD1-CG2 4.43Å; L101-V144 HydrophobicContact CD2-CG1 3.89Å; L101-V144 HydrophobicContact CD2-CG2 4.32Å; D126-V144 HydrophobicContact CB-CB 4.19Å; D126-V144 HydrophobicContact CB-CG1 3.8Å; D126-V144 WeakPolarHBondContact O-CB 3.28Å; R128-V144 HydrophobicContact CB-CG2 4.35Å; R128-V144 WeakPolarHBondContact O-CG2 3.49Å; R128-V144 PolarHBondContact O-N 3.36Å; R128-V144 VanDerWaalsContact O-N 3.09Å; I130-V144 HydrophobicContact CG2-CG2 3.59Å; V144-E146 VanDerWaalsContact C-N 3.34Å; V144-E146 PolarHBondContact O-N 3.4Å; V144-F147 WeakPolarHBondContact O-CB 3.33Å; V144-F147 PolarHBondContact O-N 3.26Å; V144-I148 HydrophobicContact CG1-CG1 4.2Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 3.41Å
145D91.8Very high90.3Very high34 Ų3469.9 Ų69.918%0.18234%0.34CS..Hα-helixtrans-49.3-48.5171.461.2-27.2000113.1Y124 D126 Y127 H143 F147 I148 D149Y124-D145 HydrophobicContact CD1-CB 4.29Å; D126-D145 PolarHBondContact O-N 3.04Å; Y127-D145 HydrophobicContact CD1-CB 4.45Å; Y127-D145 WeakPolarHBondContact CD1-OD2 3.5Å; H143-D145 WeakPolarHBondContact CB-OD1 3.35Å; D145-F147 VanDerWaalsContact C-N 3.3Å; D145-F147 PolarHBondContact O-N 3.49Å; D145-I148 PolarHBondContact O-N 3.3Å; D145-D149 WeakPolarHBondContact O-CB 3.49Å; D145-D149 PolarHBondContact O-N 3.28Å
146E92.4Very high90.5Very high83 Ų8367.3 Ų67.339%0.38833%0.33SS..Hα-helixtrans-57.3-43175.4-69.6169.3-177.400111.5M142 H143 V144 D149 E150M142-E146 WeakPolarHBondContact CA-OE2 3.27Å; H143-E146 HydrophobicContact CB-CB 4.46Å; H143-E146 HydrophobicContact CB-CG 4.1Å; H143-E146 IonicContact CE1-OE1 3.36Å; H143-E146 IonicContact CG-OE1 2.65Å; H143-E146 PolarHBondContact N-OE2 3.39Å; H143-E146 VanDerWaalsContact ND1-CD 3.35Å; H143-E146 IonicContact ND1-OE1 3.82Å; H143-E146 PolarHBondContact ND1-OE1 3.2Å; H143-E146 IonicContact ND1-OE2 3.84Å; H143-E146 PolarHBondContact ND1-OE2 3.15Å; V144-E146 VanDerWaalsContact C-N 3.34Å; V144-E146 PolarHBondContact O-N 3.4Å; E146-D149 WeakPolarHBondContact O-CB 3.13Å; E146-D149 PolarHBondContact O-N 3.35Å; E146-E150 WeakPolarHBondContact O-CG 3.45Å; E146-E150 PolarHBondContact O-N 2.85Å
147F92.7Very high90.6Very high3 Ų361.1 Ų61.11%0.01330%0.297CS..Hα-helixtrans-69.2-38178.4-177.8-94.1000112.5V57 F70 L101 I130 M142 H143 V144 D145 D149 E150 L151 V157V57-F147 HydrophobicContact CG1-CD2 4.25Å; V57-F147 HydrophobicContact CG1-CE2 3.47Å; V57-F147 VanDerWaalsContact CG1-CE2 3.47Å; V57-F147 HydrophobicContact CG1-CZ 3.64Å; F70-F147 HydrophobicContact CZ-CZ 4.37Å; L101-F147 HydrophobicContact CB-CE1 4.23Å; L101-F147 HydrophobicContact CD1-CD1 4.37Å; L101-F147 HydrophobicContact CD2-CD1 3.45Å; L101-F147 VanDerWaalsContact CD2-CD1 3.45Å; L101-F147 HydrophobicContact CD2-CE1 3.94Å; L101-F147 HydrophobicContact CD2-CG 4.27Å; L101-F147 HydrophobicContact CG-CD1 4.33Å; L101-F147 HydrophobicContact CG-CE1 4.49Å; I130-F147 HydrophobicContact CD1-CB 3.88Å; I130-F147 HydrophobicContact CD1-CG 4.29Å; M142-F147 HydrophobicContact CE-CB 4.11Å; M142-F147 HydrophobicContact CE-CD2 4Å; H143-F147 PolarHBondContact O-N 3.35Å; V144-F147 WeakPolarHBondContact O-CB 3.33Å; V144-F147 PolarHBondContact O-N 3.26Å; D145-F147 VanDerWaalsContact C-N 3.3Å; D145-F147 PolarHBondContact O-N 3.49Å; F147-D149 VanDerWaalsContact C-N 3.3Å; F147-E150 PolarHBondContact O-N 3.46Å; F147-L151 HydrophobicContact CD1-CD1 3.88Å; F147-L151 HydrophobicContact CD1-CG 4.25Å; F147-L151 HydrophobicContact CE1-CD1 3.55Å; F147-L151 HydrophobicContact CE1-CD2 4.38Å; F147-L151 HydrophobicContact CE1-CG 4Å; F147-L151 HydrophobicContact CZ-CD1 4.36Å; F147-L151 HydrophobicContact CZ-CD2 4.42Å; F147-L151 HydrophobicContact CZ-CG 4.43Å; F147-L151 WeakPolarHBondContact O-CG 3.36Å; F147-L151 PolarHBondContact O-N 3.08Å; F147-V157 HydrophobicContact CE2-CG1 3.87Å; F147-V157 HydrophobicContact CZ-CG1 4.12Å
148I92.4Very high90.6Very high0 Ų061 Ų610%029%0.293CS..Hα-helixtrans-66.3-37.2174.9-62.2-55.8000110.6L101 A104 L120 L123 Y124 V144 D145 L151 L152L101-I148 HydrophobicContact CD2-CD1 4.16Å; A104-I148 HydrophobicContact CB-CD1 3.67Å; L120-I148 HydrophobicContact CB-CG2 4.05Å; L120-I148 HydrophobicContact CD2-CD1 4.4Å; L123-I148 HydrophobicContact CB-CD1 4.21Å; L123-I148 HydrophobicContact CB-CG1 3.83Å; L123-I148 HydrophobicContact CB-CG2 4.48Å; L123-I148 HydrophobicContact CD1-CD1 3.75Å; L123-I148 HydrophobicContact CD1-CG1 4.31Å; Y124-I148 HydrophobicContact CE2-CG2 4.47Å; V144-I148 HydrophobicContact CG1-CG1 4.2Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 3.41Å; D145-I148 PolarHBondContact O-N 3.3Å; I148-L151 HydrophobicContact CD1-CD1 4.09Å; I148-L151 WeakPolarHBondContact O-CB 3.12Å; I148-L151 PolarHBondContact O-N 3Å; I148-L152 HydrophobicContact CG2-CD1 4.39Å; I148-L152 PolarHBondContact O-N 3.02Å; I148-L152 VanDerWaalsContact O-N 3.11Å
149D91.5Very high90.3Very high66 Ų6656.6 Ų56.635%0.35327%0.274SS..Hα-helixtrans-61.8-47.5175-161.155.7000112.1Y124 D145 E146 F147 L151 L152 H153Y124-D149 HydrophobicContact CE1-CB 3.85Å; Y124-D149 PolarHBondContact OH-OD1 2.97Å; D145-D149 WeakPolarHBondContact O-CB 3.49Å; D145-D149 PolarHBondContact O-N 3.28Å; E146-D149 WeakPolarHBondContact O-CB 3.13Å; E146-D149 PolarHBondContact O-N 3.35Å; F147-D149 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.05Å; D149-L152 PolarHBondContact O-N 3.13Å; D149-L152 VanDerWaalsContact O-N 3.13Å; D149-H153 PolarHBondContact O-N 3.22Å; D149-H153 PolarHBondContact O-ND1 2.7Å; D149-H153 IonicContact OD1-CE1 3.97Å; D149-H153 PolarHBondContact OD1-CE1 3.17Å; D149-H153 IonicContact OD1-ND1 2.73Å; D149-H153 PolarHBondContact OD1-ND1 3.15Å; D149-H153 IonicContact OD2-ND1 3.73Å
150E91.5Very high90.1Very high88 Ų8851 Ų5141%0.41125%0.249SC..Hα-helixtrans-58-38.6173.9-74.3-176.917400111.5E146 F147 L152 A154 V157E146-E150 WeakPolarHBondContact O-CG 3.45Å; E146-E150 PolarHBondContact O-N 2.85Å; F147-E150 PolarHBondContact O-N 3.46Å; E150-L152 VanDerWaalsContact C-N 3.35Å; E150-L152 PolarHBondContact O-N 3.4Å; E150-A154 WeakPolarHBondContact O-CA 3.24Å; E150-A154 WeakPolarHBondContact O-CB 3.26Å; E150-A154 PolarHBondContact O-N 3.3Å; E150-V157 HydrophobicContact CB-CG2 4.17Å; E150-V157 WeakPolarHBondContact O-CG2 3.49Å
151L90.7Very high90Very high0 Ų050.6 Ų50.60%025%0.249CC..Hα-helixtrans-64.2-36.4176.8-73.8176.7000113.4A104 M105 R108 F147 I148 D149 V157 L162A104-L151 HydrophobicContact CB-CD1 4.17Å; M105-L151 HydrophobicContact SD-CD2 3.24Å; M105-L151 WeakPolarHBondContact SD-CD2 3.31Å; R108-L151 WeakPolarHBondContact CD-O 3.45Å; R108-L151 HydrophobicContact CG-CB 4.31Å; R108-L151 HydrophobicContact CG-CD2 4.35Å; R108-L151 PolarHBondContact NE-O 3.06Å; F147-L151 HydrophobicContact CD1-CD1 3.88Å; F147-L151 HydrophobicContact CD1-CG 4.25Å; F147-L151 HydrophobicContact CE1-CD1 3.55Å; F147-L151 HydrophobicContact CE1-CD2 4.38Å; F147-L151 HydrophobicContact CE1-CG 4Å; F147-L151 HydrophobicContact CZ-CD1 4.36Å; F147-L151 HydrophobicContact CZ-CD2 4.42Å; F147-L151 HydrophobicContact CZ-CG 4.43Å; F147-L151 WeakPolarHBondContact O-CG 3.36Å; F147-L151 PolarHBondContact O-N 3.08Å; I148-L151 HydrophobicContact CD1-CD1 4.09Å; I148-L151 WeakPolarHBondContact O-CB 3.12Å; I148-L151 PolarHBondContact O-N 3Å; D149-L151 PolarHBondContact O-N 3.05Å; L151-V157 HydrophobicContact CD2-CB 3.93Å; L151-V157 HydrophobicContact CD2-CG1 3.68Å; L151-V157 HydrophobicContact CD2-CG2 4.1Å; L151-V157 HydrophobicContact CG-CG1 4.45Å; L151-L162 HydrophobicContact CD2-CD1 4.44Å; L151-L162 VanDerWaalsContact O-CD1 3.29Å; L151-L162 WeakPolarHBondContact O-CD1 3.32Å
152L88.3Confident89.7Confident14 Ų1446 Ų467%0.07323%0.225CC..Hα-helixtrans-83.7-37.6-177.2-71.7175.6000112.5Y117 L120 Y124 I148 D149 E150 L165Y117-L152 HydrophobicContact CD1-CD2 4.17Å; Y117-L152 HydrophobicContact CE1-CD2 4Å; L120-L152 HydrophobicContact CB-CD1 4.33Å; L120-L152 HydrophobicContact CB-CD2 4.46Å; L120-L152 HydrophobicContact CD1-CD2 3.7Å; L120-L152 HydrophobicContact CD1-CG 4.26Å; Y124-L152 HydrophobicContact CE2-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CD1 4.39Å; I148-L152 PolarHBondContact O-N 3.02Å; I148-L152 VanDerWaalsContact O-N 3.11Å; D149-L152 PolarHBondContact O-N 3.13Å; D149-L152 VanDerWaalsContact O-N 3.13Å; E150-L152 VanDerWaalsContact C-N 3.35Å; E150-L152 PolarHBondContact O-N 3.4Å; L152-L165 HydrophobicContact CD2-CD1 4.14Å
153H86.9Confident89.4Confident129 Ų12946.1 Ų46.160%0.59723%0.227SC*.Hα-helixtrans-102.9-29.4-171.3-60.8105.6000114.4D149D149-H153 PolarHBondContact O-N 3.22Å; D149-H153 PolarHBondContact O-ND1 2.7Å; D149-H153 IonicContact OD1-CE1 3.97Å; D149-H153 PolarHBondContact OD1-CE1 3.17Å; D149-H153 IonicContact OD1-ND1 2.73Å; D149-H153 PolarHBondContact OD1-ND1 3.15Å; D149-H153 IonicContact OD2-ND1 3.73Å
154A88.2Confident88.9Confident35 Ų3555.6 Ų55.629%0.28926%0.261SS..  trans-81.9152.2-17700000112.3E150 V157E150-A154 WeakPolarHBondContact O-CA 3.24Å; E150-A154 WeakPolarHBondContact O-CB 3.26Å; E150-A154 PolarHBondContact O-N 3.3Å; A154-V157 HydrophobicContact CB-CG2 4.16Å
155E86Confident88.5Confident164 Ų16457.5 Ų57.577%0.76627%0.271SS*.SBendtrans-80.8-23.1176-60.5-172.9165.100112.6L162E155-L162 PolarHBondContact O-N 3.12Å
156R89.8Confident88Confident122 Ų12260.6 Ų60.646%0.4628%0.284SS..EExtended strand (participates in β ladder)trans-140.9122.4-175.2-176.8-177.6-71.8-112.5-4.7110.2E22 I160E22-R156 IonicContact OE1-CZ 3.71Å; E22-R156 IonicContact OE1-NH1 3.69Å; E22-R156 PolarHBondContact OE1-NH1 3.04Å; E22-R156 IonicContact OE1-NH2 2.77Å; E22-R156 PolarHBondContact OE1-NH2 3.35Å; R156-I160 VanDerWaalsContact CA-O 3.31Å; R156-I160 WeakPolarHBondContact CA-O 3.45Å
157V87.1Confident87.5Confident5 Ų563.7 Ų63.73%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-129.8136.4174178.30000109.1M105 F147 E150 L151 A154 D159 I160 L162M105-V157 HydrophobicContact CE-CB 4.41Å; M105-V157 HydrophobicContact CE-CG1 4.48Å; M105-V157 WeakPolarHBondContact CE-O 3.42Å; M105-V157 HydrophobicContact SD-CG1 4.37Å; F147-V157 HydrophobicContact CE2-CG1 3.87Å; F147-V157 HydrophobicContact CZ-CG1 4.12Å; E150-V157 HydrophobicContact CB-CG2 4.17Å; E150-V157 WeakPolarHBondContact O-CG2 3.49Å; L151-V157 HydrophobicContact CD2-CB 3.93Å; L151-V157 HydrophobicContact CD2-CG1 3.68Å; L151-V157 HydrophobicContact CD2-CG2 4.1Å; L151-V157 HydrophobicContact CG-CG1 4.45Å; A154-V157 HydrophobicContact CB-CG2 4.16Å; V157-D159 PolarHBondContact O-N 3.24Å; V157-I160 PolarHBondContact N-O 3.49Å; V157-I160 VanDerWaalsContact N-O 3.11Å; V157-I160 PolarHBondContact O-N 2.94Å; V157-L162 HydrophobicContact CB-CD1 4.22Å; V157-L162 HydrophobicContact CG2-CD1 3.82Å
158C84.5Confident86.8Confident20 Ų2065.5 Ų65.514%0.13530%0.303CS..THydrogen-bonded Turntrans5040.3-178.3-65.50000113.8G59 M105 I160G59-C158 VanDerWaalsContact CA-O 3.29Å; G59-C158 WeakPolarHBondContact CA-O 3.25Å; M105-C158 HydrophobicContact CE-CB 4.34Å; C158-I160 PolarHBondContact O-N 3.5Å; C158-I160 VanDerWaalsContact O-N 3.15Å
159D86.4Confident86.1Confident35 Ų3571.7 Ų71.719%0.18733%0.332CS..THydrogen-bonded Turntrans62.412-177.4-56.4-77.8000115.6I25 G59 V60 V157I25-D159 HydrophobicContact CD1-CB 3.75Å; I25-D159 VanDerWaalsContact CD1-O 3.28Å; I25-D159 WeakPolarHBondContact CD1-O 2.86Å; G59-D159 WeakPolarHBondContact CA-OD2 3.46Å; V60-D159 HydrophobicContact CG2-CB 4.31Å; V60-D159 WeakPolarHBondContact CG2-OD2 3.24Å; V60-D159 PolarHBondContact N-OD2 3.19Å; V157-D159 PolarHBondContact O-N 3.24Å
160I88.5Confident85.6Confident0 Ų071.2 Ų71.20%033%0.331CS..EExtended strand (participates in β ladder)trans-100.7133.5172.6-60170.1000108.6V21 L71 T74 M105 L109 R156 V157 C158 L162V21-I160 HydrophobicContact CG2-CD1 3.97Å; V21-I160 HydrophobicContact CG2-CG1 4.16Å; L71-I160 HydrophobicContact CD1-CD1 3.49Å; L71-I160 VanDerWaalsContact CD1-CD1 3.49Å; L71-I160 HydrophobicContact CD1-CG1 3.87Å; T74-I160 HydrophobicContact CG2-CD1 4.31Å; M105-I160 HydrophobicContact CE-CB 3.99Å; M105-I160 HydrophobicContact CE-CD1 3.67Å; M105-I160 HydrophobicContact CE-CG1 4.3Å; L109-I160 HydrophobicContact CD1-CD1 4.24Å; L109-I160 HydrophobicContact CD1-CG2 4.47Å; L109-I160 HydrophobicContact CD2-CG2 3.69Å; R156-I160 VanDerWaalsContact CA-O 3.31Å; R156-I160 WeakPolarHBondContact CA-O 3.45Å; V157-I160 PolarHBondContact N-O 3.49Å; V157-I160 VanDerWaalsContact N-O 3.11Å; V157-I160 PolarHBondContact O-N 2.94Å; C158-I160 PolarHBondContact O-N 3.5Å; C158-I160 VanDerWaalsContact O-N 3.15Å; I160-L162 PolarHBondContact O-N 3.07Å
161I89.6Confident85Confident87 Ų8768 Ų6845%0.44632%0.317SS..EExtended strand (participates in β ladder)trans-78.1119171.5-58.2172.8000107.2
162L87.3Confident84.4Confident10 Ų1071.1 Ų71.15%0.05233%0.331CS..PPolyproline II helixtrans-76.9140.3-178.8-61.7-178.6000110.1M105 R108 L109 L151 E155 V157 I160 R164M105-L162 HydrophobicContact CE-CD2 4.08Å; M105-L162 HydrophobicContact SD-CD2 4.46Å; R108-L162 HydrophobicContact CG-CD1 4.16Å; R108-L162 HydrophobicContact CG-CD2 4.15Å; L109-L162 HydrophobicContact CD2-CD2 3.57Å; L109-L162 HydrophobicContact CG-CD2 4.35Å; L151-L162 HydrophobicContact CD2-CD1 4.44Å; L151-L162 VanDerWaalsContact O-CD1 3.29Å; L151-L162 WeakPolarHBondContact O-CD1 3.32Å; E155-L162 PolarHBondContact O-N 3.12Å; V157-L162 HydrophobicContact CB-CD1 4.22Å; V157-L162 HydrophobicContact CG2-CD1 3.82Å; I160-L162 PolarHBondContact O-N 3.07Å; L162-R164 PolarHBondContact O-N 3.48Å
163P86.5Confident83.9Confident24 Ų2477.8 Ų77.816%0.15636%0.362CS..PPolyproline II helixtrans-55.2138.7168.4-24.133.8000110.2L20 R108 L165L20-P163 HydrophobicContact CD2-CG 4.18Å; R108-P163 PolarHBondContact NH1-O 3.2Å; R108-P163 PolarHBondContact NH2-O 3.15Å; P163-L165 PolarHBondContact O-N 2.69Å
164R83.4Confident83.3Confident249 Ų24974.5 Ų74.594%0.9436%0.357SS*.PPolyproline II helixtrans-60.1122.4179.5-71.2-174.9172.8-173.8-3.5109.6L162L162-R164 PolarHBondContact O-N 3.48Å
165L82.6Confident82.2Confident39 Ų3981.4 Ų81.420%0.20438%0.383CS..PPolyproline II helixtrans-88.3144.4169.7-78.8175.1000109.8A113 C116 L152 P163A113-L165 HydrophobicContact CB-CD2 3.66Å; C116-L165 HydrophobicContact CB-CD1 4.5Å; C116-L165 HydrophobicContact CB-CD2 4.42Å; L152-L165 HydrophobicContact CD2-CD1 4.14Å; P163-L165 PolarHBondContact O-N 2.69Å
166Q81.4Confident81.1Confident99 Ų9979.4 Ų79.446%0.46338%0.376SS..PPolyproline II helixtrans-73.8135.6167.5-172.670.4-37.200108.6Y117 V170 L171Y117-Q166 PolarHBondContact OH-O 3.19Å; Q166-V170 HydrophobicContact CG-CB 3.86Å; Q166-V170 HydrophobicContact CG-CG1 4.12Å; Q166-L171 HydrophobicContact CB-CD2 4.37Å; Q166-L171 HydrophobicContact CB-CG 4.36Å; Q166-L171 HydrophobicContact CG-CD2 4.31Å; Q166-L171 HydrophobicContact CG-CG 4.26Å
167K81.9Confident79.7Confident148 Ų14874.7 Ų74.764%0.64336%0.359SS*.PPolyproline II helixtrans-58.7145.3177.6-66.6-175.3177.8-175.40110.4Q169 V170 L171K167-Q169 VanDerWaalsContact C-N 3.31Å; K167-Q169 PolarHBondContact O-N 2.77Å; K167-V170 PolarHBondContact O-N 2.96Å; K167-V170 VanDerWaalsContact O-N 3.09Å; K167-L171 PolarHBondContact O-N 3.37Å
168R77.2Confident78.3Confident42 Ų4281 Ų8116%0.15839%0.393CS..Hα-helixtrans-52.1-45.8-179.8-169.7-178.6-178.511912.4113.3E121 V170 L171 E172 D178 R180E121-R168 IonicContact OE1-CZ 3.98Å; E121-R168 IonicContact OE1-NH1 2.77Å; E121-R168 PolarHBondContact OE1-NH1 3.44Å; E121-R168 IonicContact OE2-CZ 3.86Å; E121-R168 IonicContact OE2-NH1 3.75Å; E121-R168 PolarHBondContact OE2-NH1 3.31Å; E121-R168 IonicContact OE2-NH2 2.67Å; R168-V170 PolarHBondContact O-N 3.28Å; R168-V170 VanDerWaalsContact O-N 3.12Å; R168-L171 WeakPolarHBondContact O-CA 3.4Å; R168-L171 WeakPolarHBondContact O-CB 3.34Å; R168-L171 PolarHBondContact O-N 2.96Å; R168-E172 WeakPolarHBondContact CD-OE1 3.46Å; R168-E172 HydrophobicContact CG-CG 4.12Å; R168-E172 IonicContact CZ-OE1 3.72Å; R168-E172 IonicContact NE-OE1 2.69Å; R168-E172 PolarHBondContact NE-OE1 2.77Å; R168-E172 IonicContact NH2-OE1 3.72Å; R168-E172 PolarHBondContact O-N 3.07Å; R168-D178 PolarHBondContact NH2-O 3.04Å; R168-R180 VanDerWaalsContact CZ-CA 3.49Å
169Q78.7Confident77Confident129 Ų12984.7 Ų84.760%0.60342%0.417SS*.Hα-helixtrans-50-42178.6-69.6173.8-19.800112.8K167 L171 E172 E173K167-Q169 VanDerWaalsContact C-N 3.31Å; K167-Q169 PolarHBondContact O-N 2.77Å; Q169-L171 VanDerWaalsContact C-N 3.31Å; Q169-L171 PolarHBondContact O-N 3.06Å; Q169-E172 PolarHBondContact O-N 3.14Å; Q169-E173 WeakPolarHBondContact O-CB 3Å; Q169-E173 VanDerWaalsContact O-CG 3.23Å; Q169-E173 WeakPolarHBondContact O-CG 3.44Å; Q169-E173 PolarHBondContact O-N 3.2Å
170V81.4Confident75.6Confident56 Ų5687.8 Ų87.834%0.33943%0.426SS..Hα-helixtrans-75.5-23.6-178.6-1710000112Q166 K167 R168 A174Q166-V170 HydrophobicContact CG-CB 3.86Å; Q166-V170 HydrophobicContact CG-CG1 4.12Å; K167-V170 PolarHBondContact O-N 2.96Å; K167-V170 VanDerWaalsContact O-N 3.09Å; R168-V170 PolarHBondContact O-N 3.28Å; R168-V170 VanDerWaalsContact O-N 3.12Å; V170-A174 VanDerWaalsContact O-CB 3.32Å; V170-A174 WeakPolarHBondContact O-CB 3.35Å; V170-A174 PolarHBondContact O-N 3.41Å
171L78.9Confident73.9Confident22 Ų2293.8 Ų93.812%0.11546%0.462CS..Hα-helixtrans-82.5-32.9175.5-65.1173.3000112.1A113 Y117 Q166 K167 R168 Q169 A174 E175 M176 L177A113-L171 HydrophobicContact CB-CD1 3.87Å; Y117-L171 HydrophobicContact CD2-CD1 3.77Å; Y117-L171 HydrophobicContact CE2-CD1 3.58Å; Q166-L171 HydrophobicContact CB-CD2 4.37Å; Q166-L171 HydrophobicContact CB-CG 4.36Å; Q166-L171 HydrophobicContact CG-CD2 4.31Å; Q166-L171 HydrophobicContact CG-CG 4.26Å; K167-L171 PolarHBondContact O-N 3.37Å; R168-L171 WeakPolarHBondContact O-CA 3.4Å; R168-L171 WeakPolarHBondContact O-CB 3.34Å; R168-L171 PolarHBondContact O-N 2.96Å; Q169-L171 VanDerWaalsContact C-N 3.31Å; Q169-L171 PolarHBondContact O-N 3.06Å; L171-A174 PolarHBondContact O-N 2.94Å; L171-E175 PolarHBondContact O-N 3.09Å; L171-M176 PolarHBondContact O-N 2.61Å; L171-M176 VanDerWaalsContact O-N 3.07Å; L171-L177 HydrophobicContact CB-CB 4.39Å; L171-L177 HydrophobicContact CB-CD1 3.8Å; L171-L177 HydrophobicContact CB-CG 4.35Å; L171-L177 HydrophobicContact CD1-CD1 3.64Å; L171-L177 HydrophobicContact CG-CD1 4.35Å; L171-L177 PolarHBondContact O-N 3.2Å
172E77.3Confident72.1Confident64 Ų6491 Ų9130%0.29945%0.451SS..Hα-helixtrans-66.9-45.5170.9-69.9172.3166.300110.5R168 Q169 A174 E175R168-E172 WeakPolarHBondContact CD-OE1 3.46Å; R168-E172 HydrophobicContact CG-CG 4.12Å; R168-E172 IonicContact CZ-OE1 3.72Å; R168-E172 IonicContact NE-OE1 2.69Å; R168-E172 PolarHBondContact NE-OE1 2.77Å; R168-E172 IonicContact NH2-OE1 3.72Å; R168-E172 PolarHBondContact O-N 3.07Å; Q169-E172 PolarHBondContact O-N 3.14Å; E172-A174 PolarHBondContact O-N 2.84Å; E172-E175 PolarHBondContact O-N 3.38Å
173E77.4Confident70.4Confident155 Ų15592.8 Ų92.872%0.72447%0.466SS*.THydrogen-bonded Turntrans-60.4-27.4173.1-75.1171-168.100113Q169 E175Q169-E173 WeakPolarHBondContact O-CB 3Å; Q169-E173 VanDerWaalsContact O-CG 3.23Å; Q169-E173 WeakPolarHBondContact O-CG 3.44Å; Q169-E173 PolarHBondContact O-N 3.2Å; E173-E175 VanDerWaalsContact C-N 3.33Å
174A75.6Confident68.5Low59 Ų5997.1 Ų97.149%0.48849%0.488SS..THydrogen-bonded Turntrans-88.43.8177.300000113.5V170 L171 E172 M176V170-A174 VanDerWaalsContact O-CB 3.32Å; V170-A174 WeakPolarHBondContact O-CB 3.35Å; V170-A174 PolarHBondContact O-N 3.41Å; L171-A174 PolarHBondContact O-N 2.94Å; E172-A174 PolarHBondContact O-N 2.84Å; A174-M176 HydrophobicContact CB-CG 4.21Å; A174-M176 PolarHBondContact O-N 2.77Å
175E64.9Low66.9Low180 Ų18090.1 Ų90.184%0.84147%0.466SS*.THydrogen-bonded Turntrans54.320.2-175.2-61.1-178.9170.500114.1L171 E172 E173L171-E175 PolarHBondContact O-N 3.09Å; E172-E175 PolarHBondContact O-N 3.38Å; E173-E175 VanDerWaalsContact C-N 3.33Å
176M62.7Low65.4Low122 Ų12294.5 Ų94.560%0.60149%0.485SS*.SBendtrans-87.7-14179.3-71.2-74.6-74.900112.1V114 L171 A174V114-M176 HydrophobicContact CG2-CB 4.25Å; V114-M176 HydrophobicContact CG2-CE 4.32Å; L171-M176 PolarHBondContact O-N 2.61Å; L171-M176 VanDerWaalsContact O-N 3.07Å; A174-M176 HydrophobicContact CB-CG 4.21Å; A174-M176 PolarHBondContact O-N 2.77Å
177L61Low64Low23 Ų2394.1 Ų94.112%0.1249%0.486CS..SBendtrans-140.1137.3175.5-79.2171000109.9V114 Y117 L171V114-L177 HydrophobicContact CB-CD2 4.47Å; V114-L177 HydrophobicContact CG1-CD2 3.81Å; V114-L177 HydrophobicContact CG1-CG 4.32Å; V114-L177 HydrophobicContact CG2-CG 4.42Å; Y117-L177 HydrophobicContact CD2-CD1 3.57Å; Y117-L177 HydrophobicContact CE2-CD1 4.48Å; Y117-L177 HydrophobicContact CG-CD1 4.06Å; L171-L177 HydrophobicContact CB-CB 4.39Å; L171-L177 HydrophobicContact CB-CD1 3.8Å; L171-L177 HydrophobicContact CB-CG 4.35Å; L171-L177 HydrophobicContact CD1-CD1 3.64Å; L171-L177 HydrophobicContact CG-CD1 4.35Å; L171-L177 PolarHBondContact O-N 3.2Å
178D56.5Low62.7Low138 Ų13892.4 Ų92.474%0.73848%0.484SS*.  trans-69.6152.2169.5-61.1-50.6000110.3R168R168-D178 PolarHBondContact NH2-O 3.04Å
179P58.1Low61.4Low97 Ų9795 Ų9563%0.6350%0.501SS*.  trans-49.5144172.8-25.533.7000111.5V181P179-V181 PolarHBondContact O-N 3.1Å
180R57.4Low60.4Low100 Ų10095.2 Ų95.238%0.37750%0.501SS..  trans-63.8110.5-178.5-168.8176.1158.7159.40.8109.9R168 S182R168-R180 VanDerWaalsContact CZ-CA 3.49Å; R180-S182 WeakPolarHBondContact CD-OG 3.46Å; R180-S182 PolarHBondContact NE-OG 2.8Å; R180-S182 PolarHBondContact O-N 3.49Å; R180-S182 VanDerWaalsContact O-N 3.16Å
181V52.9Low59.2Low126 Ų12696 Ų9676%0.76451%0.506SS*.  trans-79.196.5162.5-172.20000106.7P179P179-V181 PolarHBondContact O-N 3.1Å
182S50.3Low58Low30 Ų30100.5 Ų100.521%0.2153%0.527CS..  trans-79.7133.2172.8-61.50000108.6R180 L184 E185R180-S182 WeakPolarHBondContact CD-OG 3.46Å; R180-S182 PolarHBondContact NE-OG 2.8Å; R180-S182 PolarHBondContact O-N 3.49Å; R180-S182 VanDerWaalsContact O-N 3.16Å; S182-L184 PolarHBondContact O-N 3.38Å; S182-E185 VanDerWaalsContact O-CB 3.25Å; S182-E185 WeakPolarHBondContact O-CB 3.34Å; S182-E185 PolarHBondContact O-N 3.38Å
183A51.3Low56.8Low46 Ų46100.2 Ų100.238%0.3853%0.532SS..Hα-helixtrans-58.5-21.4175.400000113.2D187A183-D187 PolarHBondContact O-N 3.44Å
184L48.1Very low55.8Low115 Ų11595.3 Ų95.360%0.60252%0.515SS*.Hα-helixtrans-76.6-21.5173.4-69.3169.1000113.9S182 L188S182-L184 PolarHBondContact O-N 3.38Å; L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 WeakPolarHBondContact O-CD1 3.26Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.04Å; L184-L188 PolarHBondContact O-N 2.89Å
185E50.3Low54.8Low103 Ų10398.6 Ų98.648%0.48152%0.52SS..Hα-helixtrans-75.1-38.7177.4-145165-163.700109.2S182 L188 D189S182-E185 VanDerWaalsContact O-CB 3.25Å; S182-E185 WeakPolarHBondContact O-CB 3.34Å; S182-E185 PolarHBondContact O-N 3.38Å; E185-L188 PolarHBondContact O-N 2.9Å; E185-D189 WeakPolarHBondContact O-CB 3.17Å; E185-D189 PolarHBondContact O-N 2.85Å
186E49.6Very low54.3Low130 Ų13096.2 Ų96.261%0.60751%0.509SS*.Hα-helixtrans-63.5-41.6171-162.2171.7-16000111.7E190E186-E190 PolarHBondContact O-N 3.4Å
187D52.2Low53.9Low92 Ų9297.1 Ų97.149%0.49251%0.512SS..Hα-helixtrans-65.9-38.3173.8-75.8-12.4000112.1A183 E190 V191A183-D187 PolarHBondContact O-N 3.44Å; D187-E190 PolarHBondContact O-N 3.16Å; D187-V191 WeakPolarHBondContact O-CG2 3.36Å; D187-V191 PolarHBondContact O-N 2.81Å; D187-V191 VanDerWaalsContact O-N 3.1Å
188L54.2Low53.6Low112 Ų112101.2 Ų101.259%0.58653%0.534SS*.Hα-helixtrans-67.9-41.7177.7-83.9162.5000112.1L184 E185 E190 V191 E192L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 WeakPolarHBondContact O-CD1 3.26Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.04Å; L184-L188 PolarHBondContact O-N 2.89Å; E185-L188 PolarHBondContact O-N 2.9Å; L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 PolarHBondContact O-N 3.36Å; L188-V191 PolarHBondContact O-N 3.42Å; L188-E192 WeakPolarHBondContact O-CB 3.47Å; L188-E192 PolarHBondContact O-N 2.82Å
189D51.9Low53.5Low96 Ų96100.8 Ų100.851%0.51353%0.527SS..Hα-helixtrans-63.6-36.5174.4-69.7-22.2000111E185 S193E185-D189 WeakPolarHBondContact O-CB 3.17Å; E185-D189 PolarHBondContact O-N 2.85Å; D189-S193 VanDerWaalsContact O-CB 3.28Å; D189-S193 WeakPolarHBondContact O-CB 3.32Å; D189-S193 PolarHBondContact O-N 3.47Å; D189-S193 PolarHBondContact O-OG 3.04Å; D189-S193 VanDerWaalsContact O-OG 3.09Å
190E55.7Low53.2Low133 Ų133102.9 Ų102.962%0.62153%0.529SS*.Hα-helixtrans-63.9-42.8171.9-88.5-169174.100112.1E186 D187 L188 S193 S194E186-E190 PolarHBondContact O-N 3.4Å; D187-E190 PolarHBondContact O-N 3.16Å; L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 PolarHBondContact O-N 3.36Å; E190-S193 PolarHBondContact O-OG 2.88Å; E190-S194 PolarHBondContact O-N 2.65Å; E190-S194 VanDerWaalsContact O-N 3.09Å; E190-S194 PolarHBondContact O-OG 3.2Å
191V56.4Low53Low72 Ų72104.8 Ų104.844%0.43654%0.542SS..Hα-helixtrans-69.7-41.4177.4-136.30000111.7D187 L188 S193 S194 E195D187-V191 WeakPolarHBondContact O-CG2 3.36Å; D187-V191 PolarHBondContact O-N 2.81Å; D187-V191 VanDerWaalsContact O-N 3.1Å; L188-V191 PolarHBondContact O-N 3.42Å; V191-S193 VanDerWaalsContact C-N 3.34Å; V191-S193 PolarHBondContact O-N 3.41Å; V191-S194 WeakPolarHBondContact CA-OG 2.8Å; V191-S194 PolarHBondContact O-N 3.36Å; V191-S194 PolarHBondContact O-OG 3.36Å; V191-E195 WeakPolarHBondContact O-CG 3.49Å; V191-E195 PolarHBondContact O-N 3.4Å
192E53.5Low52.9Low117 Ų117104.3 Ų104.355%0.54753%0.531SS..Hα-helixtrans-64.1-40.1179-160.2168.3-153.100110.8L188 S194 E195 E196L188-E192 WeakPolarHBondContact O-CB 3.47Å; L188-E192 PolarHBondContact O-N 2.82Å; E192-S194 PolarHBondContact O-N 3.36Å; E192-E195 PolarHBondContact O-N 3.44Å; E192-E196 WeakPolarHBondContact O-CG 3.43Å; E192-E196 PolarHBondContact O-N 3.46Å
193S53.8Low53Low59 Ų59110 Ų11041%0.41355%0.552SS.*Hα-helixtrans-65.2-35.917368.80000113.5D189 E190 V191 E197D189-S193 VanDerWaalsContact O-CB 3.28Å; D189-S193 WeakPolarHBondContact O-CB 3.32Å; D189-S193 PolarHBondContact O-N 3.47Å; D189-S193 PolarHBondContact O-OG 3.04Å; D189-S193 VanDerWaalsContact O-OG 3.09Å; E190-S193 PolarHBondContact O-OG 2.88Å; V191-S193 VanDerWaalsContact C-N 3.34Å; V191-S193 PolarHBondContact O-N 3.41Å; S193-E197 WeakPolarHBondContact O-CG 3.11Å; S193-E197 PolarHBondContact O-N 2.63Å; S193-E197 VanDerWaalsContact O-N 3.14Å
194S55.4Low52.8Low52 Ų52115.6 Ų115.636%0.36457%0.568SS.*Hα-helixtrans-72.7-32.2175.7690000113.3E190 V191 E192 D198E190-S194 PolarHBondContact O-N 2.65Å; E190-S194 VanDerWaalsContact O-N 3.09Å; E190-S194 PolarHBondContact O-OG 3.2Å; V191-S194 WeakPolarHBondContact CA-OG 2.8Å; V191-S194 PolarHBondContact O-N 3.36Å; V191-S194 PolarHBondContact O-OG 3.36Å; E192-S194 PolarHBondContact O-N 3.36Å; S194-D198 PolarHBondContact O-N 3.13Å
195E54.8Low52.8Low127 Ų127118.5 Ų118.559%0.59358%0.579SS**Hα-helixtrans-73.8-33.3175-72.1-175.7169.300111.8V191 E192 E199V191-E195 WeakPolarHBondContact O-CG 3.49Å; V191-E195 PolarHBondContact O-N 3.4Å; E192-E195 PolarHBondContact O-N 3.44Å; E195-E199 PolarHBondContact O-N 3.48Å; E195-E199 VanDerWaalsContact O-N 3.16Å
196E54Low52.7Low131 Ų131122.6 Ų122.661%0.61259%0.59SS**Hα-helixtrans-67.9-38.2171.9-75.3-171.3163.700112.5E192 E199 E200E192-E196 WeakPolarHBondContact O-CG 3.43Å; E192-E196 PolarHBondContact O-N 3.46Å; E196-E199 PolarHBondContact O-N 3.33Å; E196-E200 PolarHBondContact O-N 3.27Å; E196-E200 VanDerWaalsContact O-N 3.14Å
197E54.5Low52.6Low140 Ų140122.4 Ų122.465%0.65459%0.592SS**Hα-helixtrans-64.8-40.7174.6-76.9-174.5170.800112.3S193 E200 E201S193-E197 WeakPolarHBondContact O-CG 3.11Å; S193-E197 PolarHBondContact O-N 2.63Å; S193-E197 VanDerWaalsContact O-N 3.14Å; E197-E200 PolarHBondContact O-N 2.81Å; E197-E201 PolarHBondContact O-N 2.67Å; E197-E201 VanDerWaalsContact O-N 3.11Å
198D54.4Low52.3Low109 Ų109123.6 Ų123.658%0.58361%0.605SS**Hα-helixtrans-66.7-34.9176.6-82.8-23.9000112.5S194 E202S194-D198 PolarHBondContact O-N 3.13Å; D198-E202 PolarHBondContact O-N 3.32Å
199E54Low51.9Low129 Ų129123.9 Ų123.960%0.60362%0.616SS**Hα-helixtrans-72.6-29.8175.6-77.9-159.8173.900113.6E195 E196 K203E195-E199 PolarHBondContact O-N 3.48Å; E195-E199 VanDerWaalsContact O-N 3.16Å; E196-E199 PolarHBondContact O-N 3.33Å; E199-K203 PolarHBondContact O-N 2.73Å
200E52.7Low51.5Low141 Ų141125.2 Ų125.266%0.65963%0.63SS**Hα-helixtrans-74.7-37.4174.6-73.3-155.9156.100112.3E196 E197 K203 F204E196-E200 PolarHBondContact O-N 3.27Å; E196-E200 VanDerWaalsContact O-N 3.14Å; E197-E200 PolarHBondContact O-N 2.81Å; E200-K203 PolarHBondContact O-N 3.35Å; E200-F204 PolarHBondContact O-N 2.83Å; E200-F204 VanDerWaalsContact O-N 3.11Å
201E53.3Low50.7Low141 Ų141126.6 Ų126.666%0.65964%0.637SS**Hα-helixtrans-65.6-42.4173.9-75.4-162.2162.600112.2E197 K203 F204 E205E197-E201 PolarHBondContact O-N 2.67Å; E197-E201 VanDerWaalsContact O-N 3.11Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 PolarHBondContact O-N 3Å; E201-F204 PolarHBondContact O-N 2.91Å; E201-E205 PolarHBondContact O-N 2.84Å
202E51.2Low50.2Low116 Ų116129 Ų12954%0.54265%0.654SS.*Hα-helixtrans-64.7-28.7176.2-99.4-139.6-171.400113.2D198 R206D198-E202 PolarHBondContact O-N 3.32Å; E202-R206 IonicContact OE2-CZ 3.14Å; E202-R206 IonicContact OE2-NH2 2.77Å; E202-R206 PolarHBondContact OE2-NH2 2.75Å
203K52.7Low49.4Very low149 Ų149131.5 Ų131.565%0.64867%0.665SS**Hα-helixtrans-77.4-31.7174.5-84.7175.6-175.8150.30112.6E199 E200 E201E199-K203 PolarHBondContact O-N 2.73Å; E200-K203 PolarHBondContact O-N 3.35Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 PolarHBondContact O-N 3Å
204F46.4Very low49Very low163 Ų163140.4 Ų140.472%0.71569%0.69SS**Hα-helixtrans-73.6-30176.9-104.7-89.1000113.3E200 E201 R206E200-F204 PolarHBondContact O-N 2.83Å; E200-F204 VanDerWaalsContact O-N 3.11Å; E201-F204 PolarHBondContact O-N 2.91Å; F204-R206 VanDerWaalsContact C-N 3.3Å; F204-R206 PolarHBondContact O-N 3.12Å
205E47.8Very low48Very low177 Ų177150.4 Ų150.483%0.82772%0.72SS**THydrogen-bonded Turntrans-74.8-13.3176.1-74.9-154.1147.600114.5E201E201-E205 PolarHBondContact O-N 2.84Å
206R48.4Very low46.9Very low189 Ų189147.8 Ų147.871%0.71373%0.727SS**THydrogen-bonded Turntrans-95.621.6-178.4-66.5-175.7-168-171.210.3114.9E202 F204E202-R206 IonicContact OE2-CZ 3.14Å; E202-R206 IonicContact OE2-NH2 2.77Å; E202-R206 PolarHBondContact OE2-NH2 2.75Å; F204-R206 VanDerWaalsContact C-N 3.3Å; F204-R206 PolarHBondContact O-N 3.12Å
207L46.5Very low46.1Very low126 Ų126149.7 Ų149.766%0.6674%0.735SS**PPolyproline II helixtrans-79.4124.6168.6-75.9165000110.8S209L207-S209 PolarHBondContact O-N 2.81Å
208P47.1Very low45.2Very low117 Ų117154.6 Ų154.676%0.7675%0.748SS**PPolyproline II helixtrans-74.3121.2179.319.4-14.2000110.6
209S44.4Very low44.4Very low117 Ų117155.1 Ų155.182%0.81875%0.75SS**PPolyproline II helixtrans-57.4132.8172.5-72.30000111.7L207L207-S209 PolarHBondContact O-N 2.81Å
210P44.7Very low43.6Very low125 Ų125155.9 Ų155.981%0.81276%0.759SS**PPolyproline II helixtrans-75.3135.5174.8-14.128.8000112.8
211E39.6Very low43.1Very low161 Ų161156 Ų15675%0.75276%0.764SS**PPolyproline II helixtrans-56.9148.4176.3-74.8-160.913300114.3H213E211-H213 IonicContact OE2-CE1 2.96Å
212P44.1Very low42.3Very low122 Ų122158.3 Ų158.379%0.79277%0.766SS**PPolyproline II helixtrans-93.2121.8172.333.1-27.6000112.6
213H36.8Very low42.2Very low170 Ų170158.5 Ų158.579%0.78778%0.778SS**  trans-106.4114.1168.4-77.7-22.6000113.1E211E211-H213 IonicContact OE2-CE1 2.96Å
214R45.9Very low41.6Very low247 Ų247160.8 Ų160.893%0.93278%0.782SS**  trans-4.8136.2157.9-67.2176.7173.4175.8-1.4120.4
215R35Very low41Very low262 Ų262164.9 Ų164.999%0.98979%0.793SS**  trans-153.4144.1135.3-132.8172.2-174.5-178.41.2111.5
216G32.4Very low40.7Very low72 Ų72161.8 Ų161.874%0.74279%0.791SS**  trans-114180-161.100000118.5
217H36.6Very low40.9Very low170 Ų170158.2 Ų158.279%0.78779%0.792SS**  trans72.6106.4156-125.1-74.4000120.1D219H217-D219 IonicContact CE1-OD2 3.44Å; H217-D219 IonicContact ND1-OD2 2.59Å
218R36.2Very low40.6Very low244 Ų244157.5 Ų157.592%0.92180%0.798SS**  -165.7138.4119.1-132.3169.7180166.5-1.4113.5
219D36.6Very low40.9Very low119 Ų119156.7 Ų156.764%0.63679%0.792SS**  trans-59.8149.7-178-65-78.4000116.1H217H217-D219 IonicContact CE1-OD2 3.44Å; H217-D219 IonicContact ND1-OD2 2.59Å
220N38.2Very low40.4Very low146 Ų146161.8 Ų161.878%0.78179%0.794SS**  -172.7125.7115.2-91.7-19.4000113.1
221D41.3Very low40Very low144 Ų144164.2 Ų164.277%0.7779%0.788SS**  trans6494141.4-61.3-45000124
222R37.3Very low39.9Very low188 Ų188165.1 Ų165.171%0.70978%0.784SS**  -2.7151.1128.7-134.2143.2-177.5-159.65.4117.4R224R222-R224 HydrophobicContact CG-CG 4.4Å
223P47.5Very low39.3Very low121 Ų121168.7 Ų168.779%0.78678%0.782SS**  -145.5143.152.636.9-13.7000122.6
224R40.4Very low39.3Very low196 Ų196164.9 Ų164.974%0.7478%0.775SS**  trans26118.1137.5-67.8-178.7174-163.5-0119.4R222R222-R224 HydrophobicContact CG-CG 4.4Å
225R33.8Very low38.8Very low250 Ų250164.6 Ų164.694%0.94377%0.774SS**  -154.1126.5125.6-127.7171.4-177.3-169.10.4112.2
226S42.8Very low38.8Very low112 Ų112157.4 Ų157.478%0.78376%0.764SS**  trans-139.1163.8161.4-410000104
227P51Low39.8Very low113 Ų113159.5 Ų159.573%0.73476%0.764SS**  cis-157.3159.440.534.2-8.5000120.1
228S41Very low39.7Very low112 Ų112162.2 Ų162.278%0.78377%0.767SS**  trans76.6166133.9-710000122.3
229P52.5Low39.8Very low99 Ų99161.8 Ų161.864%0.64377%0.765SS**  cis-151.6171-4043.1-25.5000117.8
230R35.2Very low39.6Very low225 Ų225167.5 Ų167.585%0.84978%0.778SS**  trans72.7142.2149.2-69.9158.5-175.6-167.92.5118.5
231Y36Very low39.8Very low176 Ų176165 Ų16569%0.6977%0.772SS**  -161.8132.256.2-134.5-106.1000108.3
232R36.7Very low39.4Very low179 Ų179170.1 Ų170.168%0.67578%0.781SS**  51.3139.4105.5-98.1179.2-174.6-163.16.9114.6
233R33.3Very low39.6Very low198 Ų198166.4 Ų166.475%0.74778%0.784SS**  cis-179.1154.412.4-163-178-171.6165.91108
234S35.8Very low39.6Very low90 Ų90166.2 Ų166.263%0.62978%0.782SS**  trans75124.1141.244.70000124.3
235R35.1Very low39.5Very low241 Ų241165.9 Ų165.991%0.90979%0.786SS**  82.1114.8124.1-78.3178.5169.4173.3-4.9120.6
236S35.9Very low39.7Very low111 Ų111165.1 Ų165.178%0.77678%0.783SS**  trans-47.8-174153.5-7.90000114.6
237P52.5Low39.2Very low115 Ų115171.7 Ų171.775%0.74779%0.791SS**  cis-138.9-170-20.932.7-9.9000113.7
238R35.2Very low38.8Very low228 Ų228171.5 Ų171.586%0.8679%0.792SS**  trans104.9124.8151.9-77.5-179.3167.6-165.7-2.3121
239R38.4Very low38.8Very low234 Ų234172.2 Ų172.288%0.88379%0.794SS**  trans24.7133.2130.3-61.7-174.5177.6-1370.6118
240R32.7Very low38.2Very low240 Ų240172.6 Ų172.691%0.90680%0.799SS**  164.3143.295.2-140.3170-176.7175.4-0.1111.1
241S41.6Very low39Very low94 Ų94167 Ų16766%0.65779%0.792SS**  trans-28.8142.916654.90000118.8
242R33.7Very low39Very low251 Ų251168 Ų16895%0.94779%0.794SS**  trans176.4123.2132.4-104.5166.6175.1171.9-2.5112.9
243S39.9Very low39Very low110 Ų110167.9 Ų167.977%0.76979%0.794SS**  trans-72.9175145.8-42.40000109
244P49.1Very low39.1Very low117 Ų117164.3 Ų164.376%0.7679%0.786SS**  cis-147.3-169.912.239.6-16.5000116.7
245K37.3Very low39Very low188 Ų188169.7 Ų169.782%0.81779%0.792SS**  trans104115.5149.3-86.1-178.4176.4176.80121.8
246R39Very low39.1Very low235 Ų235165 Ų16589%0.88778%0.78SS**  34.5131.5124.1-72.2-177.5172.9-116.50.4120.1
247R32Very low39Very low250 Ų250170.9 Ų170.994%0.94379%0.786SS**  -171.9126.6121.6-108.7171.3178.6-177.6-0.9112.7
248S41.9Very low38.3Very low108 Ų108170.1 Ų170.176%0.75578%0.783SS**  trans-74.6161.4158.1-42.50000110.1
249P41Very low38.1Very low128 Ų128169.1 Ų169.183%0.83179%0.785SS**  -149.5133.5115.823.8-1.8000116.7
250S40.6Very low38.1Very low106 Ų106163.3 Ų163.374%0.74178%0.78SS**  trans-76.8169145.4450000109.6
251P51.4Low39.1Very low107 Ų107157.2 Ų157.270%0.69577%0.772SS**  cis-164.4-172.349.139.3-12.8000120
252R36.6Very low38.9Very low198 Ų198163.5 Ų163.575%0.74778%0.781SS**  trans91.7143.6154.4-66-178178.4-157.4-0.7118.1
253R36.3Very low38.9Very low176 Ų176161 Ų16166%0.66477%0.772SS**  cis-170.7147.47.4-125.9176.6169.7167.8-1.1111.4
254E34.5Very low38.6Very low124 Ų124162.7 Ų162.758%0.57977%0.767SS**  trans35.7148135.1-62.4-179.9-126.600122.2
255R34.6Very low37.8Very low202 Ų202169 Ų16976%0.76278%0.776SS**  178123.456.5-16998.6-140.7-108.820.2112.2
256H37.8Very low37.7Very low142 Ų142164.9 Ų164.966%0.65777%0.771SS**  trans39.3139.3136.4-50.8-97.9000125.8
257R32.8Very low37.5Very low235 Ų235164.8 Ų164.889%0.88777%0.77SS**  174.9116.6107.8-107.7-176.4165155.5-4117.8
258S37.8Very low37.6Very low99 Ų99157.9 Ų157.969%0.69276%0.76SS**  trans19.6136.1132.757.70000125.5
259K32Very low37.4Very low208 Ų208164.2 Ų164.290%0.90477%0.768SS**  -179.6134.9116.4-121.3166.8175.3174.40114.6
260S38.1Very low37.3Very low112 Ų112165 Ų16578%0.78377%0.765SS**  trans-104.2-163.9168.4-340000110.2
261P53.2Low37.1Very low112 Ų112171.1 Ų171.173%0.72777%0.772SS**  cis-139.3-171.6-28.832.5-9.5000115
262R36.6Very low36.4Very low226 Ų226176.3 Ų176.385%0.85378%0.778SS**  trans104.6146.9157.4-62.5-171.6179.9-151.71.5117.1
263R34Very low36.5Very low198 Ų198175.7 Ų175.775%0.74778%0.783SS**  cis-178145.4-22.1-148.4178.7177.5-154.50.1107
264H35Very low36.3Very low146 Ų146178.5 Ų178.568%0.67679%0.793SS**  trans75.4121.6155-56.2-51.2000123.1
265R30.9Very low36.3Very low248 Ų248177.7 Ų177.794%0.93680%0.801SS**  -162146.7105.3-133169.7-175.6159.30.2112.8
266S35.6Very low36.4Very low102 Ų102177.9 Ų177.971%0.71381%0.807SS**  trans-91.2154.5-167.639.90000114.4
267R34.3Very low36.4Very low234 Ų234176.4 Ų176.488%0.88381%0.813SS**  trans178.3105.1132.2-98.9164177.4173.9-1.2109.6
268S35.3Very low36.8Very low105 Ų105171.3 Ų171.373%0.73481%0.811SS**  72.29791.8-51.90000114.1
269R37.8Very low36.8Very low240 Ų240169.8 Ų169.891%0.90681%0.811SS**  -173.8109.4122.5-106172.1179174.20.4111.9
270D37.8Very low37.1Very low144 Ų144169 Ų16977%0.7781%0.81SS**  trans-37.1141.9147.5-95.1-74.8000113.4
271R36.6Very low37.1Very low236 Ų236171.8 Ų171.889%0.89181%0.81SS**  trans-169.795130.2-100.2163-167.3-1653.2110.6
272R37.2Very low36.3Very low216 Ų216177.5 Ų177.582%0.81582%0.817SS**  trans-76.4177.7149.3-83.4-177.5175.2-168.3-0.6109.7
273H37.4Very low36.3Very low184 Ų184171.9 Ų171.985%0.85281%0.813SS**  trans92.1106.8-179.7-46.6-65.4000112.3
274R32.6Very low36.5Very low236 Ų236171.3 Ų171.389%0.89182%0.818SS**  cis49.610733.2-147.6174.7-166.9-174.42.9114.9
275S35.9Very low36.6Very low107 Ų107174.2 Ų174.275%0.74882%0.823SS**  trans63.6113.8159.155.90000119.9
276K35.6Very low36.8Very low205 Ų205169.3 Ų169.389%0.89181%0.811SS**  177.2132.7110-120.8159.5172.71730111.9
277S37.6Very low36.7Very low112 Ų112175.5 Ų175.578%0.78382%0.818SS**  trans-55.8153.7164.8-43.80000111.7
278P42.4Very low36.7Very low127 Ų127169 Ų16983%0.82581%0.809SS**  -127.1137.7118.7-1.522.6000112.4
279G36.2Very low36.8Very low68 Ų68172.5 Ų172.570%0.70181%0.813SS**  trans-66.3146.8-179.800000113.1
280H38.2Very low36.9Very low192 Ų192165.7 Ų165.789%0.88980%0.802SS**  trans-120.6111.3158.4-117.7-65.9000109
281H38.3Very low36.9Very low170 Ų170168.1 Ų168.179%0.78781%0.806SS**  trans-49.1134.6164.8-66.3-89.4000111.2
282R37.7Very low37.3Very low232 Ų232163 Ų16388%0.87580%0.801SS**  trans-168.782.8134.9-103.3168.7-169.4-166.44.3109.8
283S36Very low37.8Very low108 Ų108159 Ų15976%0.75580%0.803SS**  trans-79.2111.5156.453.20000108.7
284H39Very low37.7Very low185 Ų185158.1 Ų158.186%0.85680%0.799SS**  trans-129.3101.1156.7-87.7-61.7000108.4
285R35.6Very low38Very low208 Ų208157.4 Ų157.479%0.78580%0.797SS**  trans-130.4122.1166.3-138.2-168.5177.2-155.6-4.8108.5
286H36Very low38Very low145 Ų145157.9 Ų157.967%0.67180%0.8SS**  trans75.2138.2159.7-51.7-49.7000116.1
287R33.3Very low38Very low231 Ų231152.6 Ų152.687%0.87279%0.789SS**  -169.5138.750.2-139.7179.1-176.6162.8-2.5111.5
288S35.2Very low38Very low98 Ų98156.7 Ų156.769%0.68579%0.793SS**  trans38.5119139.959.80000121.4
289H36.6Very low37.8Very low178 Ų178159.8 Ų159.882%0.82479%0.793SS**  trans-141.3121.5138.5-149.564.1000112
290S39.1Very low38Very low97 Ų97161.3 Ų161.368%0.67879%0.793SS**  trans-66.8136.2172.144.10000112.2
291K38Very low38.3Very low196 Ų196161.7 Ų161.785%0.85280%0.795SS**  trans-136.2125.5152.5-86.6-170.8176.2179.40110.6
292T46.5Very low38.5Very low127 Ų127162.8 Ų162.878%0.77980%0.797SS**  trans-59.716717340.90000112.7
293P46.1Very low38.8Very low133 Ų133161 Ų16186%0.86480%0.796SS**  -132.2127.3121.826.5-11000112.3
294E37Very low39.2Very low165 Ų165160.7 Ų160.777%0.77179%0.793SS**  trans-85132.1165.8-89.6-157.7116.800111.6
295R38.1Very low39.5Very low221 Ų221163.5 Ų163.583%0.83480%0.796SS**  trans34.5127.6134.4-81.7177.8162.2-170.6-2.8121
296S35.3Very low40Very low117 Ų117165.9 Ų165.982%0.81881%0.806SS**  171.8156.711253.70000109
297S35.2Very low40.2Very low95 Ų95162.4 Ų162.466%0.66481%0.809SS**  cis-171.5151.8-24.5680000107.1
298K37.8Very low40.8Very low197 Ų197159.1 Ų159.186%0.85781%0.808SS**  trans64.7118.6147.5-67173179.1178.80121.7
299K39.6Very low41.4Very low193 Ų193165.8 Ų165.884%0.83984%0.836SS**  165.3103.9111-97.3-179.7171.4175.30108.9
300S39.9Very low41.6Very low99 Ų99165.2 Ų165.269%0.69284%0.837SS**  44.8103.591.673.10000115.4
301H43.3Very low41.7Very low200 Ų200168.7 Ų168.793%0.92685%0.845SS**  -161.7160127.7-105.7-7000113.2
302K43Very low41.9Very low194 Ų194167.2 Ų167.284%0.84385%0.845SS**  trans-124.5138-151178.5-170.2-171.4-178.90107.2
303K43.4Very low41.7Very low194 Ų194169.6 Ų169.684%0.84385%0.849SS**  trans159.3111.8152-96.2176171.7177.80107.8
304S44.4Very low41.4Very low101 Ų101171.9 Ų171.971%0.70685%0.848SS**  60.6107.868.380.80000115
305R45.2Very low41.7Very low244 Ų244172.3 Ų172.392%0.92185%0.853SS**  trans170.7110.2142.1-95.9170.7175.9-169-3.2106.4
306R46.6Very low41.9Very low259 Ų259168.9 Ų168.998%0.97785%0.854SS**  59.2125.764.9-98.6-168.2179.1-174.7-0.2115.1
307G40Very low42.5Very low71 Ų71172.8 Ų172.873%0.73286%0.857SS**  trans114.7119.5170.400000111.1
308N45.7Very low43.1Very low162 Ų162179.3 Ų179.387%0.86687%0.873SS**  cis3993.633.4-91.444.4000111.4
309D47.8Very low43.5Very low238 Ų238177.7 Ų177.7100%1.27388%0.875SS**  -149.1079.5-94.8-65.1000108.6

Retrieved 309 of 309 residues in 202 ms (Link to these results)

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