G4VNB2_SCHMA Loading...

Pre-mRNA-splicing factor 38

Required for pre-mRNA splicing.

AlphaFold DB , UniProt , Accession G4VNB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 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
1M59.4Low78.7Confident219 Ų219109.7 Ų109.7100%1.07956%0.564SS**  01290-76.1179.8178.200108.5N3 R4M1-N3 PolarHBondContact O-N 3.43Å; M1-N3 VanDerWaalsContact O-N 3.09Å; M1-R4 PolarHBondContact O-N 3.29Å; M1-R4 VanDerWaalsContact O-N 3.16Å
2A72.9Confident79Confident70 Ų70101.3 Ų101.358%0.57952%0.522SS*.THydrogen-bonded Turntrans-62.2-16-173.900000114.8Q79A2-Q79 PolarHBondContact O-NE2 3.04Å
3N81.1Confident79.2Confident58 Ų58101.2 Ų101.231%0.3152%0.517SS..THydrogen-bonded Turntrans-95.73.6-179.2-59.1-19.8000113.5M1 Q18 Y30 W35M1-N3 PolarHBondContact O-N 3.43Å; M1-N3 VanDerWaalsContact O-N 3.09Å; N3-Q18 PolarHBondContact O-NE2 2.78Å; N3-Q18 PolarHBondContact O-OE1 3.34Å; N3-Y30 HydrophobicContact CB-CD1 4.2Å; N3-Y30 HydrophobicContact CB-CD2 4.4Å; N3-Y30 HydrophobicContact CB-CE1 3.95Å; N3-Y30 HydrophobicContact CB-CE2 4.14Å; N3-Y30 HydrophobicContact CB-CG 4.43Å; N3-W35 PolarHBondContact OD1-NE1 2.9Å; N3-W35 VanDerWaalsContact OD1-NE1 3.16Å
4R82.3Confident79.4Confident188 Ų18898.9 Ų98.971%0.70953%0.531SS*.SBendtrans-76.1143.6174.8-170.8178.2173.8171.6-0.8109.5M1 Q79M1-R4 PolarHBondContact O-N 3.29Å; M1-R4 VanDerWaalsContact O-N 3.16Å; R4-Q79 PolarHBondContact O-NE2 3.32Å
5T80.9Confident80Confident14 Ų1496.3 Ų96.39%0.08652%0.52CS..PPolyproline II helixtrans-54.3142.2170-37.80000109.7A9 N16 P17 Q18 Q79T5-A9 HydrophobicContact CG2-CB 3.43Å; T5-A9 VanDerWaalsContact CG2-CB 3.43Å; T5-N16 PolarHBondContact OG1-ND2 3.35Å; T5-N16 PolarHBondContact OG1-OD1 3.42Å; T5-P17 HydrophobicContact CG2-CG 3.8Å; T5-Q18 PolarHBondContact OG1-NE2 2.94Å; T5-Q18 VanDerWaalsContact OG1-NE2 3.12Å; T5-Q79 WeakPolarHBondContact CG2-O 3.48Å
6V82Confident80.4Confident66 Ų6693.3 Ų93.340%0.450%0.504SS..PPolyproline II helixtrans-55.8144.6175.1-1790000108.8D8 A9 Q79V6-D8 HydrophobicContact CG1-CB 4.5Å; V6-D8 PolarHBondContact O-N 3.42Å; V6-A9 VanDerWaalsContact O-CB 3.26Å; V6-A9 WeakPolarHBondContact O-CB 3.18Å; V6-A9 PolarHBondContact O-N 3.08Å; V6-Q79 PolarHBondContact N-O 3.3Å
7K78.9Confident80.9Confident189 Ų18988.1 Ų88.182%0.82248%0.476SS*.THydrogen-bonded Turntrans-63.4-27.7-173.8-70-177179.6178.50112.8A9K7-A9 VanDerWaalsContact C-N 3.28Å
8D81Confident81.3Confident131 Ų13183.7 Ų83.770%0.70145%0.452SS*.THydrogen-bonded Turntrans-86.4-4.2-176-47.9-37.1000112.2V6 H10V6-D8 HydrophobicContact CG1-CB 4.5Å; V6-D8 PolarHBondContact O-N 3.42Å; D8-H10 PolarHBondContact O-CE1 3.29Å; D8-H10 PolarHBondContact O-N 3.33Å; D8-H10 PolarHBondContact O-ND1 3.34Å
9A78.4Confident81.9Confident27 Ų2786.6 Ų86.622%0.22346%0.456CS..PPolyproline II helixtrans-67.8131.1179.100000111.5T5 V6 K7 Q81T5-A9 HydrophobicContact CG2-CB 3.43Å; T5-A9 VanDerWaalsContact CG2-CB 3.43Å; V6-A9 VanDerWaalsContact O-CB 3.26Å; V6-A9 WeakPolarHBondContact O-CB 3.18Å; V6-A9 PolarHBondContact O-N 3.08Å; K7-A9 VanDerWaalsContact C-N 3.28Å; A9-Q81 HydrophobicContact CB-CB 4.36Å; A9-Q81 VanDerWaalsContact CB-OE1 3.26Å
10H83.4Confident82.2Confident137 Ų13783.5 Ų83.563%0.63444%0.44SS*.PPolyproline II helixtrans-80.1153.3177.9-56.53.6000110.1D8 Q81D8-H10 PolarHBondContact O-CE1 3.29Å; D8-H10 PolarHBondContact O-N 3.33Å; D8-H10 PolarHBondContact O-ND1 3.34Å; H10-Q81 PolarHBondContact O-OE1 3.39Å
11T85.4Confident82.6Confident108 Ų10879.6 Ų79.666%0.66342%0.419SS*.PPolyproline II helixtrans-69.7135.1173.247.10000109.8T15T11-T15 WeakPolarHBondContact CA-O 3.42Å
12V82.6Confident84.1Confident9 Ų972.4 Ų72.46%0.05538%0.383CS..BIsolated β-bridgetrans-113.5127.7179.6179.90000107.3G14 T15 P17 L20 V110V12-G14 PolarHBondContact O-N 3.05Å; V12-T15 PolarHBondContact N-O 3.44Å; V12-T15 PolarHBondContact O-N 3.05Å; V12-T15 VanDerWaalsContact O-O 3.1Å; V12-T15 PolarHBondContact O-OG1 3.33Å; V12-P17 HydrophobicContact CB-CB 4.25Å; V12-P17 HydrophobicContact CG2-CB 3.92Å; V12-L20 HydrophobicContact CG1-CD1 4.14Å; V12-V110 HydrophobicContact CG1-CB 4.19Å; V12-V110 HydrophobicContact CG1-CG1 3.99Å; V12-V110 HydrophobicContact CG1-CG2 4.21Å; V12-V110 HydrophobicContact CG2-CG1 3.91Å
13H81.4Confident85Confident100 Ų10076.9 Ų76.946%0.46339%0.39SS..THydrogen-bonded Turntrans51.935.6-173.4-58.3-57.4000113.6T15 L109H13-T15 PolarHBondContact O-N 2.63Å; H13-L109 PolarHBondContact CD2-O 2.94Å; H13-L109 PolarHBondContact NE2-O 3.41Å
14G82.5Confident85.5Confident69 Ų6979.4 Ų79.471%0.71140%0.402SS*.THydrogen-bonded Turntrans70.87.1-178.800000115.1V12V12-G14 PolarHBondContact O-N 3.05Å
15T87.4Confident86Confident60 Ų6070.8 Ų70.837%0.36837%0.37SS..BIsolated β-bridgetrans-126.5172.5179.565.20000111.5T11 V12 H13T11-T15 WeakPolarHBondContact CA-O 3.42Å; V12-T15 PolarHBondContact N-O 3.44Å; V12-T15 PolarHBondContact O-N 3.05Å; V12-T15 VanDerWaalsContact O-O 3.1Å; V12-T15 PolarHBondContact O-OG1 3.33Å; H13-T15 PolarHBondContact O-N 2.63Å
16N87.7Confident86.5Confident48 Ų4872 Ų7226%0.25737%0.373SS..  trans-64.2131.3170-176.7-43.2000108.4T5 Q18 Y19T5-N16 PolarHBondContact OG1-ND2 3.35Å; T5-N16 PolarHBondContact OG1-OD1 3.42Å; N16-Q18 PolarHBondContact O-N 3.5Å; N16-Q18 PolarHBondContact OD1-N 3.22Å; N16-Y19 HydrophobicContact CB-CD1 4.06Å; N16-Y19 HydrophobicContact CB-CD2 3.94Å; N16-Y19 HydrophobicContact CB-CE1 4.22Å; N16-Y19 HydrophobicContact CB-CE2 4.1Å; N16-Y19 HydrophobicContact CB-CG 3.95Å; N16-Y19 VanDerWaalsContact O-CB 3.3Å; N16-Y19 WeakPolarHBondContact O-CB 3.29Å; N16-Y19 PolarHBondContact O-N 3.07Å
17P88.3Confident87Confident4 Ų471.5 Ų71.53%0.02637%0.373CS..G310 helixtrans-54.6-30.8-177.820.6-34.2000113.7T5 V12 Y19 L20 L78T5-P17 HydrophobicContact CG2-CG 3.8Å; V12-P17 HydrophobicContact CB-CB 4.25Å; V12-P17 HydrophobicContact CG2-CB 3.92Å; P17-Y19 PolarHBondContact O-N 2.94Å; P17-L20 WeakPolarHBondContact O-CB 3.41Å; P17-L20 WeakPolarHBondContact O-CG 3.48Å; P17-L20 PolarHBondContact O-N 3.21Å; P17-L78 HydrophobicContact CB-CB 4.41Å; P17-L78 HydrophobicContact CB-CD2 4.26Å; P17-L78 WeakPolarHBondContact CB-O 3.48Å; P17-L78 VanDerWaalsContact CG-O 3.3Å; P17-L78 WeakPolarHBondContact CG-O 3.29Å
18Q88.9Confident87.6Confident10 Ų1067.4 Ų67.45%0.04735%0.352CS..G310 helixtrans-64.2-26.8174.9-64.1-172.814.100113.1N3 T5 N16 L20 L21 R26 Y30 L75N3-Q18 PolarHBondContact O-NE2 2.78Å; N3-Q18 PolarHBondContact O-OE1 3.34Å; T5-Q18 PolarHBondContact OG1-NE2 2.94Å; T5-Q18 VanDerWaalsContact OG1-NE2 3.12Å; N16-Q18 PolarHBondContact O-N 3.5Å; N16-Q18 PolarHBondContact OD1-N 3.22Å; Q18-L20 PolarHBondContact O-N 3.13Å; Q18-L21 PolarHBondContact O-N 3.34Å; Q18-L21 VanDerWaalsContact O-N 3.11Å; Q18-R26 WeakPolarHBondContact O-CD 3.44Å; Q18-R26 PolarHBondContact O-NE 2.89Å; Q18-Y30 PolarHBondContact OE1-OH 3.38Å; Q18-L75 HydrophobicContact CB-CD1 4.2Å; Q18-L75 HydrophobicContact CG-CD1 4.2Å
19Y90.9Very high88.2Confident138 Ų13861.2 Ų61.254%0.54132%0.319SS..G310 helixtrans-75.4-8.9-174.2-66.51.2000112.8N16 P17 L21N16-Y19 HydrophobicContact CB-CD1 4.06Å; N16-Y19 HydrophobicContact CB-CD2 3.94Å; N16-Y19 HydrophobicContact CB-CE1 4.22Å; N16-Y19 HydrophobicContact CB-CE2 4.1Å; N16-Y19 HydrophobicContact CB-CG 3.95Å; N16-Y19 VanDerWaalsContact O-CB 3.3Å; N16-Y19 WeakPolarHBondContact O-CB 3.29Å; N16-Y19 PolarHBondContact O-N 3.07Å; P17-Y19 PolarHBondContact O-N 2.94Å; Y19-L21 PolarHBondContact O-N 3.46Å
20L89.2Confident88.9Confident25 Ų2562 Ų6213%0.13132%0.317CS..G310 helixtrans-60.3-27.4166.1-60.7179.8000111.6V12 P17 Q18 L78 L109 P163V12-L20 HydrophobicContact CG1-CD1 4.14Å; P17-L20 WeakPolarHBondContact O-CB 3.41Å; P17-L20 WeakPolarHBondContact O-CG 3.48Å; P17-L20 PolarHBondContact O-N 3.21Å; Q18-L20 PolarHBondContact O-N 3.13Å; L20-L78 HydrophobicContact CB-CD1 4.48Å; L20-L78 HydrophobicContact CD1-CD2 4.04Å; L20-L109 HydrophobicContact CD1-CB 4.12Å; L20-P163 HydrophobicContact CD2-CG 4.23Å
21L90.7Very high89.3Confident1 Ų160.5 Ų60.51%0.00531%0.31CS..SBendtrans-88.8132.6167.8-61.6-162.7000111.4Q18 Y19 R26 I29 L71 L75 L78 V160Q18-L21 PolarHBondContact O-N 3.34Å; Q18-L21 VanDerWaalsContact O-N 3.11Å; Y19-L21 PolarHBondContact O-N 3.46Å; L21-R26 HydrophobicContact CB-CG 3.64Å; L21-R26 PolarHBondContact O-NE 3.44Å; L21-I29 HydrophobicContact CD1-CD1 3.73Å; L21-L71 HydrophobicContact CD1-CD1 4.32Å; L21-L71 HydrophobicContact CD2-CD1 4.3Å; L21-L75 HydrophobicContact CD1-CB 3.67Å; L21-L75 HydrophobicContact CD1-CD1 3.81Å; L21-L75 HydrophobicContact CD1-CD2 4.37Å; L21-L75 HydrophobicContact CD1-CG 4.12Å; L21-L75 HydrophobicContact CG-CD1 4.29Å; L21-L78 HydrophobicContact CG-CD1 4.21Å; L21-V160 HydrophobicContact CD2-CB 4.05Å; L21-V160 HydrophobicContact CD2-CG1 3.55Å; L21-V160 HydrophobicContact CD2-CG2 3.31Å
22E90.9Very high89.6Confident68 Ų6856.3 Ų56.332%0.31829%0.285SS..  trans-52.6144.6175.7-68.3-175.9-169.900111.5I24 V25 R26 R156E22-I24 VanDerWaalsContact C-N 3.26Å; E22-I24 PolarHBondContact O-N 3.49Å; E22-V25 HydrophobicContact CB-CB 4.47Å; E22-V25 HydrophobicContact CB-CG2 4.21Å; E22-V25 PolarHBondContact O-N 2.88Å; E22-V25 VanDerWaalsContact O-N 3.16Å; E22-R26 PolarHBondContact O-N 3.03Å; E22-R156 IonicContact OE1-CZ 3.5Å; E22-R156 IonicContact OE1-NH1 3.5Å; E22-R156 PolarHBondContact OE1-NH1 2.85Å; E22-R156 VanDerWaalsContact OE1-NH1 3.08Å; E22-R156 IonicContact OE1-NH2 2.68Å; E22-R156 PolarHBondContact OE1-NH2 3.46Å
23K91.1Very high90.1Very high164 Ų16462.9 Ų62.971%0.71331%0.313SS*.Hα-helixtrans-55.2-41.6-176.7-176.3-178.8176.9-176.40112.5R26 S27K23-R26 PolarHBondContact O-N 3.28Å; K23-S27 PolarHBondContact O-N 2.83Å; K23-S27 PolarHBondContact O-OG 3.46Å
24I91.9Very high90.6Very high112 Ų11260.2 Ų60.257%0.57430%0.3SS*.Hα-helixtrans-63.3-48.4-179.1-59.6173.5000110E22 R26 S27 R28E22-I24 VanDerWaalsContact C-N 3.26Å; E22-I24 PolarHBondContact O-N 3.49Å; I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 3.18Å; I24-S27 PolarHBondContact O-N 3.32Å; I24-R28 WeakPolarHBondContact O-CG 3.46Å; I24-R28 PolarHBondContact O-N 3.24Å; I24-R28 VanDerWaalsContact O-N 3.11Å
25V91.9Very high91.1Very high7 Ų757.4 Ų57.44%0.04227%0.268CS..Hα-helixtrans-61.2-43.7179.5176.20000110.7E22 S27 R28 I29 V60 L71E22-V25 HydrophobicContact CB-CB 4.47Å; E22-V25 HydrophobicContact CB-CG2 4.21Å; E22-V25 PolarHBondContact O-N 2.88Å; E22-V25 VanDerWaalsContact O-N 3.16Å; V25-S27 PolarHBondContact O-N 2.86Å; V25-R28 PolarHBondContact O-N 2.95Å; V25-I29 HydrophobicContact CG1-CD1 3.76Å; V25-I29 HydrophobicContact CG1-CG1 4.39Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.43Å; V25-I29 PolarHBondContact O-N 3.44Å; V25-V60 HydrophobicContact CG1-CG1 4.2Å; V25-V60 HydrophobicContact CG2-CG1 4.36Å; V25-L71 HydrophobicContact CG1-CD2 3.61Å; V25-L71 HydrophobicContact CG1-CG 4.47Å
26R92.2Very high91.2Very high39 Ų3960.7 Ų60.715%0.14728%0.277CS..Hα-helixtrans-60.9-45.5176.6-74.5-167.3-79.8147.8-1.1113.7Q18 L21 E22 K23 I24 R28 I29 Y30 L75Q18-R26 WeakPolarHBondContact O-CD 3.44Å; Q18-R26 PolarHBondContact O-NE 2.89Å; L21-R26 HydrophobicContact CB-CG 3.64Å; L21-R26 PolarHBondContact O-NE 3.44Å; E22-R26 PolarHBondContact O-N 3.03Å; K23-R26 PolarHBondContact O-N 3.28Å; I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 3.18Å; R26-R28 VanDerWaalsContact C-N 3.26Å; R26-R28 PolarHBondContact O-N 3.31Å; R26-I29 PolarHBondContact O-N 2.89Å; R26-Y30 HydrophobicContact CB-CE2 4.34Å; R26-Y30 WeakPolarHBondContact O-CD2 3.38Å; R26-Y30 PolarHBondContact O-N 3.46Å; R26-L75 HydrophobicContact CG-CD1 4.24Å; R26-L75 HydrophobicContact CG-CD2 4.16Å
27S92.4Very high91.4Very high56 Ų5663.8 Ų63.839%0.39229%0.29SS..Hα-helixtrans-57-43.2175.5-70.40000111.2K23 I24 V25 Y30 E31K23-S27 PolarHBondContact O-N 2.83Å; K23-S27 PolarHBondContact O-OG 3.46Å; I24-S27 PolarHBondContact O-N 3.32Å; V25-S27 PolarHBondContact O-N 2.86Å; S27-Y30 PolarHBondContact O-N 2.91Å; S27-E31 WeakPolarHBondContact O-CG 3.39Å; S27-E31 PolarHBondContact O-N 2.89Å; S27-E31 VanDerWaalsContact O-N 3.13Å
28R92.6Very high91.5Very high103 Ų10366.3 Ų66.339%0.38930%0.301SS..Hα-helixtrans-67-36.2176.9-64.7-60.4-173.9-159.64.4113.5I24 V25 R26 E31 S32 V65I24-R28 WeakPolarHBondContact O-CG 3.46Å; I24-R28 PolarHBondContact O-N 3.24Å; I24-R28 VanDerWaalsContact O-N 3.11Å; V25-R28 PolarHBondContact O-N 2.95Å; R26-R28 VanDerWaalsContact C-N 3.26Å; R26-R28 PolarHBondContact O-N 3.31Å; R28-E31 IonicContact NH1-OE2 2.99Å; R28-E31 PolarHBondContact NH1-OE2 3.27Å; R28-E31 PolarHBondContact O-N 2.91Å; R28-S32 PolarHBondContact O-N 3.32Å; R28-V65 WeakPolarHBondContact CB-O 3.17Å; R28-V65 HydrophobicContact CG-CB 4.12Å; R28-V65 HydrophobicContact CG-CG1 4.11Å; R28-V65 WeakPolarHBondContact CG-O 3.24Å
29I92.8Very high91.5Very high0 Ų065.9 Ų65.90%030%0.299CS..Hα-helixtrans-62.6-48.2173.9-66.5163.2000110.7L21 V25 R26 E31 S32 W35 P67 L71 C72 L75L21-I29 HydrophobicContact CD1-CD1 3.73Å; V25-I29 HydrophobicContact CG1-CD1 3.76Å; V25-I29 HydrophobicContact CG1-CG1 4.39Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.43Å; V25-I29 PolarHBondContact O-N 3.44Å; R26-I29 PolarHBondContact O-N 2.89Å; I29-E31 VanDerWaalsContact C-N 3.25Å; I29-E31 PolarHBondContact O-N 2.89Å; I29-S32 VanDerWaalsContact O-CB 3.31Å; I29-S32 WeakPolarHBondContact O-CB 3.28Å; I29-S32 PolarHBondContact O-N 3.08Å; I29-S32 VanDerWaalsContact O-N 3.08Å; I29-S32 PolarHBondContact O-OG 2.96Å; I29-W35 HydrophobicContact CG2-CB 4.38Å; I29-W35 HydrophobicContact CG2-CD2 3.89Å; I29-W35 HydrophobicContact CG2-CE3 3.39Å; I29-W35 HydrophobicContact CG2-CG 4.32Å; I29-W35 HydrophobicContact CG2-CZ3 3.96Å; I29-W35 WeakPolarHBondContact O-CB 3.31Å; I29-P67 HydrophobicContact CB-CG 4.4Å; I29-P67 HydrophobicContact CG1-CB 3.56Å; I29-P67 HydrophobicContact CG1-CG 3.8Å; I29-L71 HydrophobicContact CD1-CD2 4.23Å; I29-L71 HydrophobicContact CD1-CG 4.02Å; I29-C72 HydrophobicContact CG2-CB 4.32Å; I29-L75 HydrophobicContact CB-CD2 3.85Å; I29-L75 HydrophobicContact CD1-CB 4.12Å; I29-L75 HydrophobicContact CD1-CD2 3.76Å; I29-L75 HydrophobicContact CG1-CD2 4.42Å; I29-L75 HydrophobicContact CG2-CB 4.43Å; I29-L75 HydrophobicContact CG2-CD2 3.57Å
30Y92.2Very high91.2Very high44 Ų4466.4 Ų66.417%0.17331%0.305CS..Hα-helixtrans-64.1-29.6179.1-60.2-28.1000113.7N3 Q18 R26 S27 W35 K36 L75N3-Y30 HydrophobicContact CB-CD1 4.2Å; N3-Y30 HydrophobicContact CB-CD2 4.4Å; N3-Y30 HydrophobicContact CB-CE1 3.95Å; N3-Y30 HydrophobicContact CB-CE2 4.14Å; N3-Y30 HydrophobicContact CB-CG 4.43Å; Q18-Y30 PolarHBondContact OE1-OH 3.38Å; R26-Y30 HydrophobicContact CB-CE2 4.34Å; R26-Y30 WeakPolarHBondContact O-CD2 3.38Å; R26-Y30 PolarHBondContact O-N 3.46Å; S27-Y30 PolarHBondContact O-N 2.91Å; Y30-W35 HydrophobicContact CD1-CD2 4.17Å; Y30-W35 AromaticContact CD1-CE2 3.61Å; Y30-W35 AromaticContact CD1-CZ2 3.82Å; Y30-W35 HydrophobicContact CD1-CZ2 3.82Å; Y30-W35 AromaticContact CD1-NE1 3.65Å; Y30-W35 AromaticContact CE1-CE2 3.92Å; Y30-W35 HydrophobicContact CE1-CH2 4.06Å; Y30-W35 AromaticContact CE1-CZ2 3.61Å; Y30-W35 HydrophobicContact CE1-CZ2 3.61Å; Y30-K36 WeakPolarHBondContact O-CE 3.21Å; Y30-L75 HydrophobicContact CD1-CD2 4.28Å; Y30-L75 HydrophobicContact CE1-CD2 3.54Å; Y30-L75 HydrophobicContact CE1-CG 4.48Å
31E91.8Very high90.9Very high106 Ų10668.7 Ų68.750%0.49533%0.327SS..Hα-helixtrans-77.6-24.4175.4-73.8170.5-173.700113.2S27 R28 I29 K36S27-E31 WeakPolarHBondContact O-CG 3.39Å; S27-E31 PolarHBondContact O-N 2.89Å; S27-E31 VanDerWaalsContact O-N 3.13Å; R28-E31 IonicContact NH1-OE2 2.99Å; R28-E31 PolarHBondContact NH1-OE2 3.27Å; R28-E31 PolarHBondContact O-N 2.91Å; I29-E31 VanDerWaalsContact C-N 3.25Å; I29-E31 PolarHBondContact O-N 2.89Å; E31-K36 PolarHBondContact O-NZ 2.93Å
32S91.9Very high90.8Very high19 Ų1969.4 Ų69.413%0.13333%0.331CS..SBendtrans-61.8147.2-17378.10000113.1R28 I29 F34 W35 K36R28-S32 PolarHBondContact O-N 3.32Å; I29-S32 VanDerWaalsContact O-CB 3.31Å; I29-S32 WeakPolarHBondContact O-CB 3.28Å; I29-S32 PolarHBondContact O-N 3.08Å; I29-S32 VanDerWaalsContact O-N 3.08Å; I29-S32 PolarHBondContact O-OG 2.96Å; S32-F34 VanDerWaalsContact C-N 3.34Å; S32-W35 PolarHBondContact O-N 3.43Å; S32-W35 WeakPolarHBondContact OG-CB 3.09Å; S32-W35 PolarHBondContact OG-N 3.4Å; S32-W35 VanDerWaalsContact OG-N 3.16Å; S32-K36 PolarHBondContact O-N 2.8Å
33K92.5Very high90.6Very high147 Ų14769.3 Ų69.364%0.63934%0.335SS*.Hα-helixtrans-61.7-44.3175.9-174.7179.1177.4-175.40111.1W35 K36 E37K33-W35 VanDerWaalsContact C-N 3.33Å; K33-W35 PolarHBondContact O-N 3.5Å; K33-K36 PolarHBondContact O-N 2.79Å; K33-E37 WeakPolarHBondContact CE-OE1 3.49Å; K33-E37 WeakPolarHBondContact CE-OE2 3.33Å; K33-E37 HydrophobicContact CG-CG 4.31Å; K33-E37 IonicContact NZ-OE1 3.53Å; K33-E37 PolarHBondContact O-N 2.95Å
34F92.4Very high90.4Very high45 Ų4562.6 Ų62.620%0.19731%0.311CS..Hα-helixtrans-58.8-43.4-179.9-172.6-88.8000111.9S32 K36 E37 H38 P69 C72 L73S32-F34 VanDerWaalsContact C-N 3.34Å; F34-K36 PolarHBondContact O-N 3.36Å; F34-E37 PolarHBondContact O-N 2.8Å; F34-H38 HydrophobicContact CD1-CB 4.48Å; F34-H38 AromaticContact CD2-CD2 3.37Å; F34-H38 WeakPolarHBondContact CD2-CD2 3.24Å; F34-H38 HydrophobicContact CE1-CB 4.17Å; F34-H38 HydrophobicContact CE2-CB 4.21Å; F34-H38 AromaticContact CE2-CD2 3.44Å; F34-H38 VanDerWaalsContact CE2-CD2 3.44Å; F34-H38 WeakPolarHBondContact CE2-CD2 3.48Å; F34-H38 AromaticContact CE2-CG 3.99Å; F34-H38 HydrophobicContact CZ-CB 4.02Å; F34-H38 WeakPolarHBondContact O-CB 3.4Å; F34-H38 PolarHBondContact O-N 3.36Å; F34-P69 HydrophobicContact CD1-CB 4.32Å; F34-P69 HydrophobicContact CD2-CB 4.01Å; F34-P69 HydrophobicContact CD2-CG 4.06Å; F34-P69 HydrophobicContact CE1-CB 4.06Å; F34-P69 HydrophobicContact CE2-CB 3.75Å; F34-P69 HydrophobicContact CE2-CG 4.2Å; F34-P69 HydrophobicContact CG-CB 4.3Å; F34-P69 HydrophobicContact CG-CG 4.45Å; F34-P69 HydrophobicContact CZ-CB 3.78Å; F34-C72 HydrophobicContact CD1-CB 3.58Å; F34-C72 HydrophobicContact CE1-CB 4Å; F34-L73 HydrophobicContact CE1-CD2 4.04Å; F34-L73 HydrophobicContact CE1-CG 4.04Å; F34-L73 HydrophobicContact CZ-CD2 4.42Å; F34-L73 HydrophobicContact CZ-CG 4.37Å
35W92.5Very high90.1Very high10 Ų1065.1 Ų65.14%0.03832%0.32CS..Hα-helixtrans-62.5-44.1177.4-178.7-93.2000112.7N3 I29 Y30 S32 K33 C39 F40 C72 L75 K76N3-W35 PolarHBondContact OD1-NE1 2.9Å; N3-W35 VanDerWaalsContact OD1-NE1 3.16Å; I29-W35 HydrophobicContact CG2-CB 4.38Å; I29-W35 HydrophobicContact CG2-CD2 3.89Å; I29-W35 HydrophobicContact CG2-CE3 3.39Å; I29-W35 HydrophobicContact CG2-CG 4.32Å; I29-W35 HydrophobicContact CG2-CZ3 3.96Å; I29-W35 WeakPolarHBondContact O-CB 3.31Å; Y30-W35 HydrophobicContact CD1-CD2 4.17Å; Y30-W35 AromaticContact CD1-CE2 3.61Å; Y30-W35 AromaticContact CD1-CZ2 3.82Å; Y30-W35 HydrophobicContact CD1-CZ2 3.82Å; Y30-W35 AromaticContact CD1-NE1 3.65Å; Y30-W35 AromaticContact CE1-CE2 3.92Å; Y30-W35 HydrophobicContact CE1-CH2 4.06Å; Y30-W35 AromaticContact CE1-CZ2 3.61Å; Y30-W35 HydrophobicContact CE1-CZ2 3.61Å; S32-W35 PolarHBondContact O-N 3.43Å; S32-W35 WeakPolarHBondContact OG-CB 3.09Å; S32-W35 PolarHBondContact OG-N 3.4Å; S32-W35 VanDerWaalsContact OG-N 3.16Å; K33-W35 VanDerWaalsContact C-N 3.33Å; K33-W35 PolarHBondContact O-N 3.5Å; W35-C39 HydrophobicContact CB-CB 4.48Å; W35-C39 HydrophobicContact CD2-CB 3.63Å; W35-C39 HydrophobicContact CE3-CB 3.47Å; W35-C39 VanDerWaalsContact CE3-CB 3.47Å; W35-C39 HydrophobicContact CG-CB 4.12Å; W35-C39 HydrophobicContact CH2-CB 4.42Å; W35-C39 HydrophobicContact CZ3-CB 3.9Å; W35-C39 CarbonylContact O-C 3.49Å; W35-C39 WeakPolarHBondContact O-CA 3.35Å; W35-C39 VanDerWaalsContact O-CB 3.3Å; W35-C39 WeakPolarHBondContact O-CB 3.33Å; W35-C39 PolarHBondContact O-N 2.85Å; W35-F40 PolarHBondContact O-N 3.35Å; W35-C72 WeakPolarHBondContact CZ3-O 3.46Å; W35-L75 HydrophobicContact CH2-CD2 4.3Å; W35-L75 HydrophobicContact CH2-CG 4.18Å; W35-L75 HydrophobicContact CZ3-CB 4.12Å; W35-L75 HydrophobicContact CZ3-CD2 4.18Å; W35-L75 HydrophobicContact CZ3-CG 4.11Å; W35-K76 HydrophobicContact CH2-CB 4.25Å; W35-K76 HydrophobicContact CH2-CD 3.93Å; W35-K76 HydrophobicContact CZ3-CB 3.91Å; W35-K76 HydrophobicContact CZ3-CD 4.32Å
36K90.8Very high89.9Confident129 Ų12968.7 Ų68.756%0.56134%0.338SS*.Hα-helixtrans-68.9-35.4-178.2-70.3169.7178.6162.10112.7Y30 E31 S32 K33 F34 F40Y30-K36 WeakPolarHBondContact O-CE 3.21Å; E31-K36 PolarHBondContact O-NZ 2.93Å; S32-K36 PolarHBondContact O-N 2.8Å; K33-K36 PolarHBondContact O-N 2.79Å; F34-K36 PolarHBondContact O-N 3.36Å; K36-F40 WeakPolarHBondContact O-CB 3.47Å
37E91.9Very high89.9Confident112 Ų11266.8 Ų66.852%0.52333%0.331SS..Hα-helixtrans-88.1-41.3-177.4-69.3-179.5169.800112.9K33 F34K33-E37 WeakPolarHBondContact CE-OE1 3.49Å; K33-E37 WeakPolarHBondContact CE-OE2 3.33Å; K33-E37 HydrophobicContact CG-CG 4.31Å; K33-E37 IonicContact NZ-OE1 3.53Å; K33-E37 PolarHBondContact O-N 2.95Å; F34-E37 PolarHBondContact O-N 2.8Å
38H90.1Very high89.6Confident57 Ų5767 Ų6726%0.26433%0.33SS..Hα-helixtrans-110.4-28.5-170.8-60.3-63.5000114.3F34 K50F34-H38 HydrophobicContact CD1-CB 4.48Å; F34-H38 AromaticContact CD2-CD2 3.37Å; F34-H38 WeakPolarHBondContact CD2-CD2 3.24Å; F34-H38 HydrophobicContact CE1-CB 4.17Å; F34-H38 HydrophobicContact CE2-CB 4.21Å; F34-H38 AromaticContact CE2-CD2 3.44Å; F34-H38 VanDerWaalsContact CE2-CD2 3.44Å; F34-H38 WeakPolarHBondContact CE2-CD2 3.48Å; F34-H38 AromaticContact CE2-CG 3.99Å; F34-H38 HydrophobicContact CZ-CB 4.02Å; F34-H38 WeakPolarHBondContact O-CB 3.4Å; F34-H38 PolarHBondContact O-N 3.36Å; H38-K50 HydrophobicContact CB-CD 4.49Å
39C87.9Confident89.6Confident1 Ų166.5 Ų66.51%0.00734%0.335CS..SBendtrans-92.3-1.3179.3-57.90000113.1W35 A41 K76W35-C39 HydrophobicContact CB-CB 4.48Å; W35-C39 HydrophobicContact CD2-CB 3.63Å; W35-C39 HydrophobicContact CE3-CB 3.47Å; W35-C39 VanDerWaalsContact CE3-CB 3.47Å; W35-C39 HydrophobicContact CG-CB 4.12Å; W35-C39 HydrophobicContact CH2-CB 4.42Å; W35-C39 HydrophobicContact CZ3-CB 3.9Å; W35-C39 CarbonylContact O-C 3.49Å; W35-C39 WeakPolarHBondContact O-CA 3.35Å; W35-C39 VanDerWaalsContact O-CB 3.3Å; W35-C39 WeakPolarHBondContact O-CB 3.33Å; W35-C39 PolarHBondContact O-N 2.85Å; C39-A41 PolarHBondContact O-N 3.3Å; C39-K76 HydrophobicContact CB-CD 4.33Å; C39-K76 HydrophobicContact CB-CG 4.41Å; C39-K76 VanDerWaalsContact O-CE 3.24Å; C39-K76 WeakPolarHBondContact O-CE 3.39Å; C39-K76 PolarHBondContact O-NZ 3.42Å; C39-K76 VanDerWaalsContact O-NZ 3.08Å
40F86.4Confident89.5Confident149 Ų14968.3 Ų68.365%0.65434%0.343SS*.THydrogen-bonded Turntrans-70123.8175.6-174.9-100.1000110.4W35 K36 L42W35-F40 PolarHBondContact O-N 3.35Å; K36-F40 WeakPolarHBondContact O-CB 3.47Å; F40-L42 PolarHBondContact O-N 3.26Å
41A83Confident89.4Confident74 Ų7466.2 Ų66.261%0.61234%0.335SS*.THydrogen-bonded Turntrans53.220.8-17900000115.9C39 T43C39-A41 PolarHBondContact O-N 3.3Å; A41-T43 PolarHBondContact O-N 3.35Å
42L87.5Confident89.4Confident15 Ų1563.7 Ų63.78%0.07933%0.326CS..  trans-63.9126.7176.8-155.470000110.3F40 L46 L47 K50 L73 K76 I80F40-L42 PolarHBondContact O-N 3.26Å; L42-L46 HydrophobicContact CD1-CB 3.58Å; L42-L46 HydrophobicContact CG-CB 4.25Å; L42-L47 HydrophobicContact CD2-CB 4.33Å; L42-L47 HydrophobicContact CD2-CD1 3.73Å; L42-K50 HydrophobicContact CD1-CG 3.97Å; L42-K50 HydrophobicContact CD2-CG 4.41Å; L42-L73 HydrophobicContact CD2-CD2 4.11Å; L42-K76 HydrophobicContact CB-CD 4.47Å; L42-K76 HydrophobicContact CB-CG 4.23Å; L42-K76 HydrophobicContact CD2-CG 3.95Å; L42-K76 WeakPolarHBondContact O-CE 3.39Å; L42-I80 WeakPolarHBondContact O-CD1 3.15Å
43T87.7Confident89.3Confident66 Ų6667.8 Ų67.841%0.40534%0.343SS..  trans-93.9170.7171.257.70000110.4A41 E45 L46 L47A41-T43 PolarHBondContact O-N 3.35Å; T43-E45 PolarHBondContact O-N 2.81Å; T43-L46 PolarHBondContact O-N 3.26Å; T43-L46 WeakPolarHBondContact OG1-CG 3.23Å; T43-L47 PolarHBondContact O-N 2.83Å; T43-L47 VanDerWaalsContact O-N 3.08Å
44A85Confident89.4Confident24 Ų2461.3 Ų61.320%0.19832%0.316CS..Hα-helixtrans-60.3-33177.100000112.7L47 I80 P82 I86A44-L47 WeakPolarHBondContact O-CB 3.42Å; A44-I80 HydrophobicContact CB-CG2 4.42Å; A44-P82 HydrophobicContact CB-CB 4.35Å; A44-I86 HydrophobicContact CB-CD1 3.97Å
45E85.6Confident89.3Confident164 Ų16468.3 Ų68.377%0.76634%0.341SS*.Hα-helixtrans-67.6-51.2176.9-62.1178.3164.400111.7T43 L47 V48T43-E45 PolarHBondContact O-N 2.81Å; E45-L47 PolarHBondContact O-N 3.18Å; E45-V48 PolarHBondContact O-N 3.09Å
46L89.6Confident89.4Confident82 Ų8270.3 Ų70.343%0.42935%0.349SS..Hα-helixtrans-69.7-16-179-63175.4000113.1L42 T43 V48 D49 K50L42-L46 HydrophobicContact CD1-CB 3.58Å; L42-L46 HydrophobicContact CG-CB 4.25Å; T43-L46 PolarHBondContact O-N 3.26Å; T43-L46 WeakPolarHBondContact OG1-CG 3.23Å; L46-V48 PolarHBondContact O-N 3.39Å; L46-D49 PolarHBondContact O-N 2.89Å; L46-K50 PolarHBondContact O-N 3.33Å
47L90.2Very high89.5Confident0 Ų064.2 Ų64.20%032%0.322CS..Hα-helixtrans-60.6-35.7173.9-176.575.4000111.3L42 T43 A44 E45 D49 K50 A51 L73 M77 F90L42-L47 HydrophobicContact CD2-CB 4.33Å; L42-L47 HydrophobicContact CD2-CD1 3.73Å; T43-L47 PolarHBondContact O-N 2.83Å; T43-L47 VanDerWaalsContact O-N 3.08Å; A44-L47 WeakPolarHBondContact O-CB 3.42Å; E45-L47 PolarHBondContact O-N 3.18Å; L47-D49 PolarHBondContact O-N 3.27Å; L47-K50 PolarHBondContact O-N 3.44Å; L47-A51 WeakPolarHBondContact O-CB 3.19Å; L47-A51 PolarHBondContact O-N 3.2Å; L47-L73 HydrophobicContact CD1-CD2 4.15Å; L47-M77 HydrophobicContact CD1-CG 4.09Å; L47-M77 HydrophobicContact CD2-CE 4.16Å; L47-M77 HydrophobicContact CD2-CG 3.42Å; L47-M77 VanDerWaalsContact CD2-CG 3.42Å; L47-M77 HydrophobicContact CD2-SD 4.05Å; L47-M77 HydrophobicContact CG-CG 4.36Å; L47-F90 HydrophobicContact CD2-CE2 3.8Å; L47-F90 HydrophobicContact CD2-CZ 3.93Å; L47-F90 HydrophobicContact CG-CZ 4.2Å
48V88Confident89.5Confident60 Ų6058.9 Ų58.936%0.36430%0.297SS..Hα-helixtrans-61.4-46.5-179-177.30000110.4E45 L46 K50 A51 V52 F90E45-V48 PolarHBondContact O-N 3.09Å; L46-V48 PolarHBondContact O-N 3.39Å; V48-K50 VanDerWaalsContact C-N 3.26Å; V48-K50 PolarHBondContact O-N 3.28Å; V48-A51 WeakPolarHBondContact O-CB 3.42Å; V48-A51 PolarHBondContact O-N 3.3Å; V48-A51 VanDerWaalsContact O-N 3.09Å; V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 3.09Å; V48-F90 HydrophobicContact CB-CE1 4.23Å; V48-F90 HydrophobicContact CB-CZ 4.31Å; V48-F90 HydrophobicContact CG1-CE1 4.28Å; V48-F90 HydrophobicContact CG2-CE1 3.83Å; V48-F90 HydrophobicContact CG2-CZ 3.61Å
49D90.7Very high89.6Confident92 Ų9256.3 Ų56.349%0.49229%0.286SS..Hα-helixtrans-58.2-41.5178.6-62.5-28.8000111.6L46 L47 V52 E53L46-D49 PolarHBondContact O-N 2.89Å; L47-D49 PolarHBondContact O-N 3.27Å; D49-V52 PolarHBondContact O-N 3.37Å; D49-E53 PolarHBondContact O-N 2.77Å
50K91Very high89.8Confident39 Ų3957.1 Ų57.117%0.1729%0.29CS..Hα-helixtrans-74-30.9177.6-62.8-47.9-177.9-168.20113.6H38 L42 L46 L47 V48 V52 E53 L73H38-K50 HydrophobicContact CB-CD 4.49Å; L42-K50 HydrophobicContact CD1-CG 3.97Å; L42-K50 HydrophobicContact CD2-CG 4.41Å; L46-K50 PolarHBondContact O-N 3.33Å; L47-K50 PolarHBondContact O-N 3.44Å; V48-K50 VanDerWaalsContact C-N 3.26Å; V48-K50 PolarHBondContact O-N 3.28Å; K50-V52 VanDerWaalsContact C-N 3.33Å; K50-E53 WeakPolarHBondContact CD-OE2 3.24Å; K50-E53 IonicContact NZ-OE1 2.72Å; K50-E53 PolarHBondContact NZ-OE1 2.71Å; K50-E53 IonicContact NZ-OE2 3.33Å; K50-E53 PolarHBondContact NZ-OE2 3.36Å; K50-E53 PolarHBondContact O-N 3.42Å; K50-L73 HydrophobicContact CB-CD1 4.1Å; K50-L73 HydrophobicContact CB-CD2 3.92Å; K50-L73 WeakPolarHBondContact O-CD1 3.43Å
51A90.9Very high90.1Very high0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-67.9-35173.100000111.8L47 V48 L54 F90 A99L47-A51 WeakPolarHBondContact O-CB 3.19Å; L47-A51 PolarHBondContact O-N 3.2Å; V48-A51 WeakPolarHBondContact O-CB 3.42Å; V48-A51 PolarHBondContact O-N 3.3Å; V48-A51 VanDerWaalsContact O-N 3.09Å; A51-L54 WeakPolarHBondContact O-CB 3.42Å; A51-L54 WeakPolarHBondContact O-CG 3.23Å; A51-L54 PolarHBondContact O-N 3.47Å; A51-F90 HydrophobicContact CB-CE1 3.95Å; A51-A99 HydrophobicContact CB-CB 3.98Å
52V90.9Very high90.2Very high52 Ų5252.2 Ų52.232%0.31526%0.261SS..Hα-helixtrans-67.7-35.8176.3169.70000112.2V48 D49 K50 L54 Y96V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 3.09Å; D49-V52 PolarHBondContact O-N 3.37Å; K50-V52 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 2.91Å; V52-Y96 HydrophobicContact CB-CD1 4.22Å; V52-Y96 HydrophobicContact CB-CE1 4.15Å; V52-Y96 HydrophobicContact CG1-CD1 3.76Å; V52-Y96 HydrophobicContact CG1-CE1 3.32Å; V52-Y96 HydrophobicContact CG2-CD1 3.88Å; V52-Y96 HydrophobicContact CG2-CD2 3.83Å; V52-Y96 HydrophobicContact CG2-CE1 3.85Å; V52-Y96 HydrophobicContact CG2-CE2 3.79Å; V52-Y96 HydrophobicContact CG2-CG 3.86Å
53E91.7Very high90Very high106 Ų10655.6 Ų55.650%0.49530%0.299SS..THydrogen-bonded Turntrans-69.6-11.1177.9-72.6173.7-166.600113.8D49 K50D49-E53 PolarHBondContact O-N 2.77Å; K50-E53 WeakPolarHBondContact CD-OE2 3.24Å; K50-E53 IonicContact NZ-OE1 2.72Å; K50-E53 PolarHBondContact NZ-OE1 2.71Å; K50-E53 IonicContact NZ-OE2 3.33Å; K50-E53 PolarHBondContact NZ-OE2 3.36Å; K50-E53 PolarHBondContact O-N 3.42Å
54L92.9Very high89.8Confident11 Ų1154.8 Ų54.86%0.05830%0.297CS..  trans-64.8140.3-179.6-70.7177.4000112.4A51 V52 P69 F70 L73 Y98 L102A51-L54 WeakPolarHBondContact O-CB 3.42Å; A51-L54 WeakPolarHBondContact O-CG 3.23Å; A51-L54 PolarHBondContact O-N 3.47Å; V52-L54 PolarHBondContact O-N 2.91Å; L54-P69 HydrophobicContact CD2-CB 3.73Å; L54-F70 HydrophobicContact CD1-CD2 4.15Å; L54-L73 HydrophobicContact CD1-CD1 3.92Å; L54-L73 HydrophobicContact CD2-CD1 3.85Å; L54-L73 HydrophobicContact CG-CD1 3.9Å; L54-Y98 HydrophobicContact CB-CG 4.21Å; L54-Y98 WeakPolarHBondContact O-CD2 3.32Å; L54-L102 HydrophobicContact CD1-CD1 3.76Å
55R91.8Very high89.9Confident192 Ų19255.6 Ų55.673%0.72530%0.299SS*.  trans-123.1-11.1-176.9-61.7-177.6-176.8-177.2-0.5114.6Y98R55-Y98 PolarHBondContact O-OH 3.5Å
56Y93Very high90.2Very high52 Ų5252.9 Ų52.920%0.20429%0.285CS..  trans-159.3154.1-177.354.8-89.8000110.2T68 P69 K131 Q133 F139Y56-T68 HydrophobicContact CD2-CG2 4.31Å; Y56-T68 HydrophobicContact CE2-CG2 3.83Å; Y56-P69 WeakPolarHBondContact OH-CD 3.3Å; Y56-K131 CarbonylContact C-O 3.57Å; Y56-K131 VanDerWaalsContact CA-O 3.24Å; Y56-K131 WeakPolarHBondContact CA-O 3.47Å; Y56-K131 WeakPolarHBondContact CB-O 3.29Å; Y56-Q133 HydrophobicContact CD2-CB 4.12Å; Y56-F139 HydrophobicContact CD1-CE1 4.03Å; Y56-F139 HydrophobicContact CD2-CE1 4.11Å; Y56-F139 AromaticContact CG-CE1 3.81Å; Y56-F139 HydrophobicContact CG-CE1 3.81Å
57V93.8Very high90.4Very high1 Ų149.7 Ų49.71%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-101.4148.8173-177.90000108F70 Y98 A101 L130 K131 F132 Q133 F147V57-F70 HydrophobicContact CG1-CD1 4.05Å; V57-F70 HydrophobicContact CG1-CD2 4.3Å; V57-F70 HydrophobicContact CG1-CE1 3.88Å; V57-F70 HydrophobicContact CG1-CE2 4.12Å; V57-F70 HydrophobicContact CG1-CG 4.26Å; V57-F70 HydrophobicContact CG1-CZ 3.91Å; V57-F70 HydrophobicContact CG2-CD2 4.24Å; V57-F70 HydrophobicContact CG2-CE2 4.19Å; V57-Y98 HydrophobicContact CG2-CD1 3.8Å; V57-Y98 HydrophobicContact CG2-CE1 4.18Å; V57-A101 HydrophobicContact CG2-CB 4.19Å; V57-L130 HydrophobicContact CG2-CD1 4.48Å; V57-K131 PolarHBondContact N-O 2.86Å; V57-F132 HydrophobicContact CB-CD2 4.42Å; V57-F132 HydrophobicContact CG1-CD2 4.33Å; V57-F132 CarbonylContact O-C 3.6Å; V57-F132 VanDerWaalsContact O-CA 3.29Å; V57-F132 WeakPolarHBondContact O-CA 3.44Å; V57-Q133 PolarHBondContact O-N 3.33Å; V57-F147 HydrophobicContact CG1-CD2 4.34Å; V57-F147 HydrophobicContact CG1-CE2 3.68Å; V57-F147 HydrophobicContact CG1-CZ 3.81Å
58G92.5Very high90.6Very high0 Ų049.7 Ų49.70%027%0.269CS..EExtended strand (participates in β ladder)trans166167.417500000112.2T68G58-T68 PolarHBondContact O-OG1 3.2Å
59G91.8Very high90.9Very high2 Ų248 Ų482%0.02126%0.259CS..SBendtrans-94.3-108.2-18000000112.9T68 C158G59-T68 WeakPolarHBondContact O-CG2 3.15Å; G59-T68 PolarHBondContact O-N 2.77Å; G59-T68 PolarHBondContact O-OG1 3.45Å; G59-C158 WeakPolarHBondContact CA-O 3.29Å
60V92.6Very high91.1Very high18 Ų1843.7 Ų43.711%0.10924%0.236CC..EExtended strand (participates in β ladder)trans-110143.3173-68.40000110V25 V65 K66 L71 D159V25-V60 HydrophobicContact CG1-CG1 4.2Å; V25-V60 HydrophobicContact CG2-CG1 4.36Å; V60-V65 HydrophobicContact CB-CG1 3.82Å; V60-V65 HydrophobicContact CG1-CG1 3.69Å; V60-V65 HydrophobicContact CG2-CG1 3.95Å; V60-K66 CarbonylContact C-O 3.52Å; V60-K66 VanDerWaalsContact CA-O 3.31Å; V60-K66 WeakPolarHBondContact CA-O 3.41Å; V60-L71 HydrophobicContact CG1-CD2 3.88Å; V60-D159 HydrophobicContact CG2-CB 3.89Å; V60-D159 WeakPolarHBondContact CG2-OD2 3.49Å; V60-D159 PolarHBondContact N-OD2 3.48Å
61Y91.3Very high91.2Very high63 Ų6341.8 Ų41.825%0.24723%0.228CC..EExtended strand (participates in β ladder)trans-126.1159176.868.3-84000110.7K66 T68 K135Y61-K66 HydrophobicContact CD1-CB 4.19Å; Y61-K66 WeakPolarHBondContact CD1-O 3.31Å; Y61-K66 HydrophobicContact CD2-CB 4.36Å; Y61-K66 HydrophobicContact CE1-CB 3.74Å; Y61-K66 WeakPolarHBondContact CE1-O 3.49Å; Y61-K66 HydrophobicContact CE2-CB 3.94Å; Y61-K66 HydrophobicContact CE2-CD 4.02Å; Y61-K66 HydrophobicContact CG-CB 4.47Å; Y61-K66 PolarHBondContact N-O 3.15Å; Y61-K66 PolarHBondContact O-N 2.74Å; Y61-T68 HydrophobicContact CD1-CG2 4.12Å; Y61-K135 CarbonylContact C-O 3.58Å; Y61-K135 WeakPolarHBondContact CA-O 3.42Å
62S85.7Confident91.3Very high58 Ų5841.8 Ų41.841%0.40623%0.228SC..THydrogen-bonded Turntrans69156.1-177.9-172.30000113.9S64 V65 K135S62-S64 PolarHBondContact O-N 3.19Å; S62-S64 VanDerWaalsContact O-N 3.07Å; S62-S64 PolarHBondContact OG-OG 3.14Å; S62-V65 PolarHBondContact O-N 2.72Å; S62-K135 PolarHBondContact N-O 3.33Å
63G82.3Confident91.5Very high85 Ų8539.3 Ų39.388%0.87621%0.213SC*.THydrogen-bonded Turntrans-62.4-13.517400000114.1V65G63-V65 VanDerWaalsContact C-N 3.29Å
64S84.3Confident91.6Very high50 Ų5034.3 Ų34.335%0.3519%0.189SC..THydrogen-bonded Turntrans-841.2171.852.40000114.1S62 K66S62-S64 PolarHBondContact O-N 3.19Å; S62-S64 VanDerWaalsContact O-N 3.07Å; S62-S64 PolarHBondContact OG-OG 3.14Å; S64-K66 PolarHBondContact O-N 2.62Å; S64-K66 WeakPolarHBondContact OG-CE 3.47Å
65V88.3Confident91.6Very high40 Ų4033.8 Ų33.824%0.24219%0.186CC..THydrogen-bonded Turntrans55.152.1178.1-169.50000110.3R28 V60 S62 G63R28-V65 WeakPolarHBondContact CB-O 3.17Å; R28-V65 HydrophobicContact CG-CB 4.12Å; R28-V65 HydrophobicContact CG-CG1 4.11Å; R28-V65 WeakPolarHBondContact CG-O 3.24Å; V60-V65 HydrophobicContact CB-CG1 3.82Å; V60-V65 HydrophobicContact CG1-CG1 3.69Å; V60-V65 HydrophobicContact CG2-CG1 3.95Å; S62-V65 PolarHBondContact O-N 2.72Å; G63-V65 VanDerWaalsContact C-N 3.29Å
66K91.6Very high91.6Very high108 Ų10825.2 Ų25.247%0.4716%0.155SC..EExtended strand (participates in β ladder)trans-76.9124.6177.9-73.3178.2-179.9178.60108.8V60 Y61 S64V60-K66 CarbonylContact C-O 3.52Å; V60-K66 VanDerWaalsContact CA-O 3.31Å; V60-K66 WeakPolarHBondContact CA-O 3.41Å; Y61-K66 HydrophobicContact CD1-CB 4.19Å; Y61-K66 WeakPolarHBondContact CD1-O 3.31Å; Y61-K66 HydrophobicContact CD2-CB 4.36Å; Y61-K66 HydrophobicContact CE1-CB 3.74Å; Y61-K66 WeakPolarHBondContact CE1-O 3.49Å; Y61-K66 HydrophobicContact CE2-CB 3.94Å; Y61-K66 HydrophobicContact CE2-CD 4.02Å; Y61-K66 HydrophobicContact CG-CB 4.47Å; Y61-K66 PolarHBondContact N-O 3.15Å; Y61-K66 PolarHBondContact O-N 2.74Å; S64-K66 PolarHBondContact O-N 2.62Å; S64-K66 WeakPolarHBondContact OG-CE 3.47Å
67P93.5Very high91.5Very high14 Ų1422.8 Ų22.89%0.09115%0.145CC..EExtended strand (participates in β ladder)trans-75.7145.2178.429.9-32.1000110.7I29 L71I29-P67 HydrophobicContact CB-CG 4.4Å; I29-P67 HydrophobicContact CG1-CB 3.56Å; I29-P67 HydrophobicContact CG1-CG 3.8Å; P67-L71 HydrophobicContact CB-CD2 4.22Å
68T94Very high91.4Very high1 Ų122.7 Ų22.71%0.00615%0.145CC..PPolyproline II helixtrans-70.1158.9167.664.40000111.1Y56 G58 G59 Y61 F70 L71 C72 Q133Y56-T68 HydrophobicContact CD2-CG2 4.31Å; Y56-T68 HydrophobicContact CE2-CG2 3.83Å; G58-T68 PolarHBondContact O-OG1 3.2Å; G59-T68 WeakPolarHBondContact O-CG2 3.15Å; G59-T68 PolarHBondContact O-N 2.77Å; G59-T68 PolarHBondContact O-OG1 3.45Å; Y61-T68 HydrophobicContact CD1-CG2 4.12Å; T68-F70 PolarHBondContact O-N 3.12Å; T68-L71 PolarHBondContact O-N 2.89Å; T68-L71 WeakPolarHBondContact OG1-CB 3.39Å; T68-L71 PolarHBondContact OG1-N 3.15Å; T68-L71 VanDerWaalsContact OG1-N 3.08Å; T68-C72 PolarHBondContact O-N 2.9Å; T68-C72 PolarHBondContact O-SG 3.06Å; T68-Q133 HydrophobicContact CG2-CB 4.48Å; T68-Q133 VanDerWaalsContact CG2-OE1 3.23Å
69P94Very high91.3Very high25 Ų2523 Ų2316%0.16215%0.146CC..Hα-helixtrans-54.9-37.8167.7-28.738.1000113F34 L54 Y56 C72 L73F34-P69 HydrophobicContact CD1-CB 4.32Å; F34-P69 HydrophobicContact CD2-CB 4.01Å; F34-P69 HydrophobicContact CD2-CG 4.06Å; F34-P69 HydrophobicContact CE1-CB 4.06Å; F34-P69 HydrophobicContact CE2-CB 3.75Å; F34-P69 HydrophobicContact CE2-CG 4.2Å; F34-P69 HydrophobicContact CG-CB 4.3Å; F34-P69 HydrophobicContact CG-CG 4.45Å; F34-P69 HydrophobicContact CZ-CB 3.78Å; L54-P69 HydrophobicContact CD2-CB 3.73Å; Y56-P69 WeakPolarHBondContact OH-CD 3.3Å; P69-C72 WeakPolarHBondContact O-CB 3.47Å; P69-C72 PolarHBondContact O-N 3.09Å; P69-L73 WeakPolarHBondContact O-CG 3.5Å; P69-L73 PolarHBondContact O-N 3.22Å
70F94.5Very high91.3Very high0 Ų024.5 Ų24.50%015%0.153CC..Hα-helixtrans-55.9-53.7176.2-179.6-95000111L54 V57 T68 C72 L73 T74 A101 L102 F105 F147L54-F70 HydrophobicContact CD1-CD2 4.15Å; V57-F70 HydrophobicContact CG1-CD1 4.05Å; V57-F70 HydrophobicContact CG1-CD2 4.3Å; V57-F70 HydrophobicContact CG1-CE1 3.88Å; V57-F70 HydrophobicContact CG1-CE2 4.12Å; V57-F70 HydrophobicContact CG1-CG 4.26Å; V57-F70 HydrophobicContact CG1-CZ 3.91Å; V57-F70 HydrophobicContact CG2-CD2 4.24Å; V57-F70 HydrophobicContact CG2-CE2 4.19Å; T68-F70 PolarHBondContact O-N 3.12Å; F70-C72 VanDerWaalsContact C-N 3.33Å; F70-C72 PolarHBondContact O-N 3.15Å; F70-L73 PolarHBondContact O-N 3.21Å; F70-T74 PolarHBondContact O-N 3.03Å; F70-T74 PolarHBondContact O-OG1 2.69Å; F70-A101 HydrophobicContact CE2-CB 4.34Å; F70-L102 HydrophobicContact CD2-CB 4.28Å; F70-L102 HydrophobicContact CD2-CD1 4.47Å; F70-L102 HydrophobicContact CE2-CB 3.7Å; F70-L102 HydrophobicContact CZ-CB 4.45Å; F70-F105 HydrophobicContact CE1-CB 4.36Å; F70-F105 AromaticContact CE1-CD1 3.59Å; F70-F105 HydrophobicContact CE1-CD1 3.59Å; F70-F105 HydrophobicContact CE1-CE1 4.03Å; F70-F105 HydrophobicContact CE1-CG 4.06Å; F70-F105 HydrophobicContact CZ-CB 3.87Å; F70-F105 AromaticContact CZ-CD1 3.95Å; F70-F105 HydrophobicContact CZ-CD1 3.95Å; F70-F105 HydrophobicContact CZ-CG 4.08Å; F70-F147 HydrophobicContact CZ-CZ 4.21Å
71L93.6Very high91.1Very high0 Ų025.7 Ų25.70%016%0.157CC..Hα-helixtrans-65.4-35.8179.8-170.666.4000112.6L21 V25 I29 V60 P67 T68 T74 L75 V160L21-L71 HydrophobicContact CD1-CD1 4.32Å; L21-L71 HydrophobicContact CD2-CD1 4.3Å; V25-L71 HydrophobicContact CG1-CD2 3.61Å; V25-L71 HydrophobicContact CG1-CG 4.47Å; I29-L71 HydrophobicContact CD1-CD2 4.23Å; I29-L71 HydrophobicContact CD1-CG 4.02Å; V60-L71 HydrophobicContact CG1-CD2 3.88Å; P67-L71 HydrophobicContact CB-CD2 4.22Å; T68-L71 PolarHBondContact O-N 2.89Å; T68-L71 WeakPolarHBondContact OG1-CB 3.39Å; T68-L71 PolarHBondContact OG1-N 3.15Å; T68-L71 VanDerWaalsContact OG1-N 3.08Å; L71-T74 PolarHBondContact O-N 3.46Å; L71-L75 PolarHBondContact O-N 2.99Å; L71-V160 HydrophobicContact CD1-CG2 3.67Å
72C93.7Very high91Very high0 Ų023.1 Ų23.10%015%0.149CC..Hα-helixtrans-60.9-44.1173.8-65.90000111.9I29 F34 W35 T68 P69 F70 L75 K76I29-C72 HydrophobicContact CG2-CB 4.32Å; F34-C72 HydrophobicContact CD1-CB 3.58Å; F34-C72 HydrophobicContact CE1-CB 4Å; W35-C72 WeakPolarHBondContact CZ3-O 3.46Å; T68-C72 PolarHBondContact O-N 2.9Å; T68-C72 PolarHBondContact O-SG 3.06Å; P69-C72 WeakPolarHBondContact O-CB 3.47Å; P69-C72 PolarHBondContact O-N 3.09Å; F70-C72 VanDerWaalsContact C-N 3.33Å; F70-C72 PolarHBondContact O-N 3.15Å; C72-L75 PolarHBondContact O-N 2.86Å; C72-K76 PolarHBondContact O-N 3.12Å; C72-K76 VanDerWaalsContact O-N 3.07Å
73L93.8Very high91.1Very high0 Ų026 Ų260%016%0.159CC..Hα-helixtrans-70.3-36.2177.9-68.3-179.1000111.8F34 L42 L47 K50 L54 P69 F70 L75 K76 M77 L102F34-L73 HydrophobicContact CE1-CD2 4.04Å; F34-L73 HydrophobicContact CE1-CG 4.04Å; F34-L73 HydrophobicContact CZ-CD2 4.42Å; F34-L73 HydrophobicContact CZ-CG 4.37Å; L42-L73 HydrophobicContact CD2-CD2 4.11Å; L47-L73 HydrophobicContact CD1-CD2 4.15Å; K50-L73 HydrophobicContact CB-CD1 4.1Å; K50-L73 HydrophobicContact CB-CD2 3.92Å; K50-L73 WeakPolarHBondContact O-CD1 3.43Å; L54-L73 HydrophobicContact CD1-CD1 3.92Å; L54-L73 HydrophobicContact CD2-CD1 3.85Å; L54-L73 HydrophobicContact CG-CD1 3.9Å; P69-L73 WeakPolarHBondContact O-CG 3.5Å; P69-L73 PolarHBondContact O-N 3.22Å; F70-L73 PolarHBondContact O-N 3.21Å; L73-L75 PolarHBondContact O-N 2.68Å; L73-K76 CarbonylContact O-C 3.53Å; L73-K76 WeakPolarHBondContact O-CA 3.45Å; L73-K76 WeakPolarHBondContact O-CB 2.9Å; L73-K76 PolarHBondContact O-N 3.18Å; L73-M77 WeakPolarHBondContact O-CG 3.28Å; L73-M77 PolarHBondContact O-N 3Å; L73-L102 HydrophobicContact CB-CD1 3.62Å; L73-L102 HydrophobicContact CD1-CD1 4.16Å
74T93.8Very high91.4Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-59.5-45.7172.5-490000111.6F70 L71 K76 M77 L78 F105 L109F70-T74 PolarHBondContact O-N 3.03Å; F70-T74 PolarHBondContact O-OG1 2.69Å; L71-T74 PolarHBondContact O-N 3.46Å; T74-K76 PolarHBondContact O-N 2.96Å; T74-M77 WeakPolarHBondContact O-CB 3.31Å; T74-M77 PolarHBondContact O-N 2.83Å; T74-L78 HydrophobicContact CG2-CD1 4.48Å; T74-L78 WeakPolarHBondContact O-CG 3.44Å; T74-L78 PolarHBondContact O-N 3.32Å; T74-F105 HydrophobicContact CG2-CD1 3.54Å; T74-F105 HydrophobicContact CG2-CE1 3.66Å; T74-L109 HydrophobicContact CG2-CD1 3.87Å
75L93Very high91.6Very high0 Ų030.7 Ų30.70%016%0.155CC..Hα-helixtrans-61.6-36.1175.1-177.257.1000111.4Q18 L21 R26 I29 Y30 W35 L71 C72 L73 L78 Q79Q18-L75 HydrophobicContact CB-CD1 4.2Å; Q18-L75 HydrophobicContact CG-CD1 4.2Å; L21-L75 HydrophobicContact CD1-CB 3.67Å; L21-L75 HydrophobicContact CD1-CD1 3.81Å; L21-L75 HydrophobicContact CD1-CD2 4.37Å; L21-L75 HydrophobicContact CD1-CG 4.12Å; L21-L75 HydrophobicContact CG-CD1 4.29Å; R26-L75 HydrophobicContact CG-CD1 4.24Å; R26-L75 HydrophobicContact CG-CD2 4.16Å; I29-L75 HydrophobicContact CB-CD2 3.85Å; I29-L75 HydrophobicContact CD1-CB 4.12Å; I29-L75 HydrophobicContact CD1-CD2 3.76Å; I29-L75 HydrophobicContact CG1-CD2 4.42Å; I29-L75 HydrophobicContact CG2-CB 4.43Å; I29-L75 HydrophobicContact CG2-CD2 3.57Å; Y30-L75 HydrophobicContact CD1-CD2 4.28Å; Y30-L75 HydrophobicContact CE1-CD2 3.54Å; Y30-L75 HydrophobicContact CE1-CG 4.48Å; W35-L75 HydrophobicContact CH2-CD2 4.3Å; W35-L75 HydrophobicContact CH2-CG 4.18Å; W35-L75 HydrophobicContact CZ3-CB 4.12Å; W35-L75 HydrophobicContact CZ3-CD2 4.18Å; W35-L75 HydrophobicContact CZ3-CG 4.11Å; L71-L75 PolarHBondContact O-N 2.99Å; C72-L75 PolarHBondContact O-N 2.86Å; L73-L75 PolarHBondContact O-N 2.68Å; L75-L78 PolarHBondContact O-N 2.58Å; L75-Q79 WeakPolarHBondContact O-CB 3.35Å; L75-Q79 PolarHBondContact O-N 2.73Å
76K92.2Very high91.7Very high13 Ų1331.2 Ų31.26%0.05716%0.156CC..Hα-helixtrans-66.5-41.1177.4-17155.4172.9-173.10111.7W35 C39 L42 C72 L73 T74 Q79 I80W35-K76 HydrophobicContact CH2-CB 4.25Å; W35-K76 HydrophobicContact CH2-CD 3.93Å; W35-K76 HydrophobicContact CZ3-CB 3.91Å; W35-K76 HydrophobicContact CZ3-CD 4.32Å; C39-K76 HydrophobicContact CB-CD 4.33Å; C39-K76 HydrophobicContact CB-CG 4.41Å; C39-K76 VanDerWaalsContact O-CE 3.24Å; C39-K76 WeakPolarHBondContact O-CE 3.39Å; C39-K76 PolarHBondContact O-NZ 3.42Å; C39-K76 VanDerWaalsContact O-NZ 3.08Å; L42-K76 HydrophobicContact CB-CD 4.47Å; L42-K76 HydrophobicContact CB-CG 4.23Å; L42-K76 HydrophobicContact CD2-CG 3.95Å; L42-K76 WeakPolarHBondContact O-CE 3.39Å; C72-K76 PolarHBondContact O-N 3.12Å; C72-K76 VanDerWaalsContact O-N 3.07Å; L73-K76 CarbonylContact O-C 3.53Å; L73-K76 WeakPolarHBondContact O-CA 3.45Å; L73-K76 WeakPolarHBondContact O-CB 2.9Å; L73-K76 PolarHBondContact O-N 3.18Å; T74-K76 PolarHBondContact O-N 2.96Å; K76-Q79 WeakPolarHBondContact O-CB 3.05Å; K76-Q79 PolarHBondContact O-N 3.5Å; K76-Q79 VanDerWaalsContact O-N 3.13Å; K76-I80 HydrophobicContact CD-CD1 4.12Å; K76-I80 HydrophobicContact CD-CG1 4.22Å; K76-I80 HydrophobicContact CG-CD1 3.93Å; K76-I80 HydrophobicContact CG-CG1 4.45Å; K76-I80 WeakPolarHBondContact O-CG1 3.34Å; K76-I80 PolarHBondContact O-N 3.22Å
77M91.8Very high91.6Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-60.3-44171.7-71.3-175.382.900111.9L47 L73 T74 Q79 I80 Q81 P82 V87 F90 L102 Y106L47-M77 HydrophobicContact CD1-CG 4.09Å; L47-M77 HydrophobicContact CD2-CE 4.16Å; L47-M77 HydrophobicContact CD2-CG 3.42Å; L47-M77 VanDerWaalsContact CD2-CG 3.42Å; L47-M77 HydrophobicContact CD2-SD 4.05Å; L47-M77 HydrophobicContact CG-CG 4.36Å; L73-M77 WeakPolarHBondContact O-CG 3.28Å; L73-M77 PolarHBondContact O-N 3Å; T74-M77 WeakPolarHBondContact O-CB 3.31Å; T74-M77 PolarHBondContact O-N 2.83Å; M77-Q79 PolarHBondContact O-N 2.92Å; M77-I80 PolarHBondContact O-N 3.15Å; M77-Q81 VanDerWaalsContact O-CA 3.28Å; M77-Q81 WeakPolarHBondContact O-CA 3.17Å; M77-Q81 PolarHBondContact O-N 3.02Å; M77-P82 HydrophobicContact CE-CG 3.76Å; M77-P82 VanDerWaalsContact O-CD 3.3Å; M77-P82 WeakPolarHBondContact O-CD 3.34Å; M77-V87 HydrophobicContact CE-CG2 4.28Å; M77-F90 HydrophobicContact CE-CD2 4.28Å; M77-F90 HydrophobicContact CE-CE2 4.3Å; M77-L102 HydrophobicContact CE-CD2 4.22Å; M77-L102 HydrophobicContact SD-CD2 3.23Å; M77-L102 WeakPolarHBondContact SD-CD2 3.34Å; M77-L102 HydrophobicContact SD-CG 3.97Å; M77-Y106 HydrophobicContact CB-CD2 3.51Å; M77-Y106 HydrophobicContact CB-CE2 3.64Å; M77-Y106 HydrophobicContact CB-CG 4.27Å; M77-Y106 HydrophobicContact CE-CD1 3.78Å; M77-Y106 HydrophobicContact CE-CD2 4.08Å; M77-Y106 HydrophobicContact CE-CE1 4.35Å; M77-Y106 HydrophobicContact CE-CG 3.61Å; M77-Y106 HydrophobicContact CG-CD2 4.45Å; M77-Y106 HydrophobicContact SD-CD2 4.16Å; M77-Y106 HydrophobicContact SD-CG 4.05Å
78L91.8Very high91.5Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-64.5-26.1175.3-68.9170.3000112.8P17 L20 L21 T74 L75 Y106 L109 V110P17-L78 HydrophobicContact CB-CB 4.41Å; P17-L78 HydrophobicContact CB-CD2 4.26Å; P17-L78 WeakPolarHBondContact CB-O 3.48Å; P17-L78 VanDerWaalsContact CG-O 3.3Å; P17-L78 WeakPolarHBondContact CG-O 3.29Å; L20-L78 HydrophobicContact CB-CD1 4.48Å; L20-L78 HydrophobicContact CD1-CD2 4.04Å; L21-L78 HydrophobicContact CG-CD1 4.21Å; T74-L78 HydrophobicContact CG2-CD1 4.48Å; T74-L78 WeakPolarHBondContact O-CG 3.44Å; T74-L78 PolarHBondContact O-N 3.32Å; L75-L78 PolarHBondContact O-N 2.58Å; L78-Y106 HydrophobicContact CD2-CD2 4.17Å; L78-Y106 HydrophobicContact CD2-CE2 3.82Å; L78-Y106 HydrophobicContact CG-CD2 4.4Å; L78-Y106 HydrophobicContact CG-CE2 4.22Å; L78-L109 HydrophobicContact CD1-CD1 4.35Å; L78-V110 HydrophobicContact CD2-CG2 3.65Å
79Q90.7Very high91.3Very high7 Ų731.1 Ų31.13%0.03316%0.157CC..Hα-helixtrans-78-44.9176.5-177.2-173.318.500112.5A2 R4 T5 V6 L75 K76 M77A2-Q79 PolarHBondContact O-NE2 3.04Å; R4-Q79 PolarHBondContact O-NE2 3.32Å; T5-Q79 WeakPolarHBondContact CG2-O 3.48Å; V6-Q79 PolarHBondContact N-O 3.3Å; L75-Q79 WeakPolarHBondContact O-CB 3.35Å; L75-Q79 PolarHBondContact O-N 2.73Å; K76-Q79 WeakPolarHBondContact O-CB 3.05Å; K76-Q79 PolarHBondContact O-N 3.5Å; K76-Q79 VanDerWaalsContact O-N 3.13Å; M77-Q79 PolarHBondContact O-N 2.92Å
80I89.9Confident91Very high33 Ų3330.2 Ų30.217%0.16915%0.15CC..Hα-helixtrans-78.1-38.2-178.1-61.3170.5000110.5L42 A44 K76 M77L42-I80 WeakPolarHBondContact O-CD1 3.15Å; A44-I80 HydrophobicContact CB-CG2 4.42Å; K76-I80 HydrophobicContact CD-CD1 4.12Å; K76-I80 HydrophobicContact CD-CG1 4.22Å; K76-I80 HydrophobicContact CG-CD1 3.93Å; K76-I80 HydrophobicContact CG-CG1 4.45Å; K76-I80 WeakPolarHBondContact O-CG1 3.34Å; K76-I80 PolarHBondContact O-N 3.22Å; M77-I80 PolarHBondContact O-N 3.15Å
81Q89.2Confident90.8Very high42 Ų4230.5 Ų30.520%0.19615%0.152CC..  trans54.773.5-169.1-167.1173.65.700111.7A9 H10 M77A9-Q81 HydrophobicContact CB-CB 4.36Å; A9-Q81 VanDerWaalsContact CB-OE1 3.26Å; H10-Q81 PolarHBondContact O-OE1 3.39Å; M77-Q81 VanDerWaalsContact O-CA 3.28Å; M77-Q81 WeakPolarHBondContact O-CA 3.17Å; M77-Q81 PolarHBondContact O-N 3.02Å
82P89.3Confident90.5Very high10 Ų1036.7 Ų36.77%0.06518%0.178CC..  trans-61.3152.3176.628.5-35.3000111A44 M77 I86 V87 Y106A44-P82 HydrophobicContact CB-CB 4.35Å; M77-P82 HydrophobicContact CE-CG 3.76Å; M77-P82 VanDerWaalsContact O-CD 3.3Å; M77-P82 WeakPolarHBondContact O-CD 3.34Å; P82-I86 HydrophobicContact CB-CB 4.22Å; P82-I86 HydrophobicContact CB-CD1 4.21Å; P82-I86 HydrophobicContact CB-CG2 4.2Å; P82-V87 HydrophobicContact CG-CG2 4.17Å; P82-Y106 HydrophobicContact CG-CE1 4.33Å
83D88.8Confident89.9Confident117 Ų11740.3 Ų40.363%0.62620%0.196SC*.  trans-57.8150.9177-64.3-45.4000111.5D85 I86 V87D83-D85 PolarHBondContact O-N 3.43Å; D83-D85 VanDerWaalsContact O-N 3.16Å; D83-I86 HydrophobicContact CB-CD1 4.4Å; D83-I86 HydrophobicContact CB-CG1 4.41Å; D83-I86 WeakPolarHBondContact O-CB 3.34Å; D83-I86 PolarHBondContact O-N 2.87Å; D83-V87 PolarHBondContact O-N 3.28Å
84K86.9Confident89.2Confident114 Ų11447.2 Ų47.250%0.49623%0.228SC..Hα-helixtrans-54.2-37.7-179.6-67.2-166.5-180-160.40111.7I86 V87 I88 E115K84-I86 VanDerWaalsContact C-N 3.33Å; K84-I86 PolarHBondContact O-N 3.21Å; K84-V87 WeakPolarHBondContact O-CB 3.2Å; K84-V87 PolarHBondContact O-N 3.04Å; K84-V87 VanDerWaalsContact O-N 3.13Å; K84-I88 WeakPolarHBondContact O-CD1 3.34Å; K84-I88 VanDerWaalsContact O-CG1 3.28Å; K84-I88 WeakPolarHBondContact O-CG1 3.24Å; K84-I88 PolarHBondContact O-N 3.13Å; K84-E115 IonicContact NZ-OE1 3.93Å; K84-E115 PolarHBondContact NZ-OE1 3.16Å; K84-E115 IonicContact NZ-OE2 2.77Å; K84-E115 PolarHBondContact NZ-OE2 3.17Å
85D89.4Confident88.8Confident120 Ų12051.4 Ų51.464%0.64226%0.255SS*.Hα-helixtrans-61-39.9179.1-64-17.8000112.3D83 V87 I88 E89D83-D85 PolarHBondContact O-N 3.43Å; D83-D85 VanDerWaalsContact O-N 3.16Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 3.35Å; D85-I88 PolarHBondContact O-N 2.84Å; D85-E89 WeakPolarHBondContact O-CB 3.48Å; D85-E89 WeakPolarHBondContact O-CG 3.26Å; D85-E89 PolarHBondContact O-N 3.42Å
86I89.4Confident88.7Confident51 Ų5156.4 Ų56.426%0.26228%0.275SS..Hα-helixtrans-65.2-39177.4-59.4175.8000110.4A44 P82 D83 K84 E89 F90A44-I86 HydrophobicContact CB-CD1 3.97Å; P82-I86 HydrophobicContact CB-CB 4.22Å; P82-I86 HydrophobicContact CB-CD1 4.21Å; P82-I86 HydrophobicContact CB-CG2 4.2Å; D83-I86 HydrophobicContact CB-CD1 4.4Å; D83-I86 HydrophobicContact CB-CG1 4.41Å; D83-I86 WeakPolarHBondContact O-CB 3.34Å; D83-I86 PolarHBondContact O-N 2.87Å; K84-I86 VanDerWaalsContact C-N 3.33Å; K84-I86 PolarHBondContact O-N 3.21Å; I86-E89 PolarHBondContact O-N 3.41Å; I86-F90 HydrophobicContact CG2-CD2 4.07Å; I86-F90 HydrophobicContact CG2-CE2 3.74Å; I86-F90 WeakPolarHBondContact O-CD2 3.41Å; I86-F90 PolarHBondContact O-N 3.03Å
87V90.6Very high88.7Confident4 Ų458.8 Ų58.82%0.02429%0.285CS..Hα-helixtrans-67.6-42.3177.6-176.80000111M77 P82 D83 K84 D85 E89 F90 I91 Y106 L107M77-V87 HydrophobicContact CE-CG2 4.28Å; P82-V87 HydrophobicContact CG-CG2 4.17Å; D83-V87 PolarHBondContact O-N 3.28Å; K84-V87 WeakPolarHBondContact O-CB 3.2Å; K84-V87 PolarHBondContact O-N 3.04Å; K84-V87 VanDerWaalsContact O-N 3.13Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 3.35Å; V87-E89 VanDerWaalsContact C-N 3.31Å; V87-F90 WeakPolarHBondContact O-CB 3.28Å; V87-F90 PolarHBondContact O-N 3.47Å; V87-I91 HydrophobicContact CG1-CD1 4.48Å; V87-I91 WeakPolarHBondContact O-CG1 3.46Å; V87-I91 PolarHBondContact O-N 2.87Å; V87-I91 VanDerWaalsContact O-N 3.12Å; V87-Y106 HydrophobicContact CB-CD1 4.38Å; V87-Y106 HydrophobicContact CG1-CD1 3.88Å; V87-Y106 HydrophobicContact CG2-CD1 3.52Å; V87-Y106 HydrophobicContact CG2-CE1 3.51Å; V87-L107 HydrophobicContact CG1-CB 4.19Å; V87-L107 HydrophobicContact CG1-CD1 4.49Å
88I90.6Very high88.8Confident21 Ų2159.9 Ų59.911%0.10829%0.289CS..Hα-helixtrans-64.7-40.6176.5-66160.5000110K84 D85 F90 I91 K92 Y119K84-I88 WeakPolarHBondContact O-CD1 3.34Å; K84-I88 VanDerWaalsContact O-CG1 3.28Å; K84-I88 WeakPolarHBondContact O-CG1 3.24Å; K84-I88 PolarHBondContact O-N 3.13Å; D85-I88 PolarHBondContact O-N 2.84Å; I88-F90 PolarHBondContact O-N 2.7Å; I88-I91 WeakPolarHBondContact O-CB 3.47Å; I88-I91 PolarHBondContact O-N 3.05Å; I88-I91 VanDerWaalsContact O-N 3.15Å; I88-K92 HydrophobicContact CG2-CD 4.02Å; I88-K92 HydrophobicContact CG2-CG 4.36Å; I88-K92 WeakPolarHBondContact O-CG 3.42Å; I88-K92 PolarHBondContact O-N 3.13Å; I88-Y119 HydrophobicContact CD1-CE1 4.28Å; I88-Y119 HydrophobicContact CD1-CE2 4.17Å; I88-Y119 VanDerWaalsContact CD1-OH 3.26Å; I88-Y119 WeakPolarHBondContact CD1-OH 3.49Å; I88-Y119 HydrophobicContact CG1-CE1 3.96Å; I88-Y119 HydrophobicContact CG1-CE2 4.15Å; I88-Y119 HydrophobicContact CG2-CE1 3.91Å
89E89.4Confident88.8Confident96 Ų9660 Ų6045%0.44929%0.29SS..Hα-helixtrans-58.3-46.9172.1-78.9-60.2140.600111D85 I86 V87 I91 K92 Q93D85-E89 WeakPolarHBondContact O-CB 3.48Å; D85-E89 WeakPolarHBondContact O-CG 3.26Å; D85-E89 PolarHBondContact O-N 3.42Å; I86-E89 PolarHBondContact O-N 3.41Å; V87-E89 VanDerWaalsContact C-N 3.31Å; E89-I91 PolarHBondContact O-N 3.42Å; E89-K92 PolarHBondContact O-N 3.36Å; E89-K92 VanDerWaalsContact O-N 3.09Å; E89-Q93 VanDerWaalsContact O-CG 3.29Å; E89-Q93 WeakPolarHBondContact O-CG 3.04Å; E89-Q93 PolarHBondContact O-N 3.03Å
90F88.3Confident88.9Confident6 Ų661 Ų613%0.02629%0.294CS..Hα-helixtrans-55-37174.7-82.6-57.7000113.6L47 V48 A51 M77 I86 V87 I88 A99 R100L47-F90 HydrophobicContact CD2-CE2 3.8Å; L47-F90 HydrophobicContact CD2-CZ 3.93Å; L47-F90 HydrophobicContact CG-CZ 4.2Å; V48-F90 HydrophobicContact CB-CE1 4.23Å; V48-F90 HydrophobicContact CB-CZ 4.31Å; V48-F90 HydrophobicContact CG1-CE1 4.28Å; V48-F90 HydrophobicContact CG2-CE1 3.83Å; V48-F90 HydrophobicContact CG2-CZ 3.61Å; A51-F90 HydrophobicContact CB-CE1 3.95Å; M77-F90 HydrophobicContact CE-CD2 4.28Å; M77-F90 HydrophobicContact CE-CE2 4.3Å; I86-F90 HydrophobicContact CG2-CD2 4.07Å; I86-F90 HydrophobicContact CG2-CE2 3.74Å; I86-F90 WeakPolarHBondContact O-CD2 3.41Å; I86-F90 PolarHBondContact O-N 3.03Å; V87-F90 WeakPolarHBondContact O-CB 3.28Å; V87-F90 PolarHBondContact O-N 3.47Å; I88-F90 PolarHBondContact O-N 2.7Å; F90-A99 HydrophobicContact CD1-CB 4.11Å; F90-R100 WeakPolarHBondContact O-CA 3.29Å
91I89.6Confident89.1Confident6 Ų659.4 Ų59.43%0.03129%0.285CS..Hα-helixtrans-71.5-44.2177.8-68.4170.3000110.5V87 I88 E89 Q93 R100 L107 L123V87-I91 HydrophobicContact CG1-CD1 4.48Å; V87-I91 WeakPolarHBondContact O-CG1 3.46Å; V87-I91 PolarHBondContact O-N 2.87Å; V87-I91 VanDerWaalsContact O-N 3.12Å; I88-I91 WeakPolarHBondContact O-CB 3.47Å; I88-I91 PolarHBondContact O-N 3.05Å; I88-I91 VanDerWaalsContact O-N 3.15Å; E89-I91 PolarHBondContact O-N 3.42Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.42Å; I91-R100 PolarHBondContact O-NE 2.93Å; I91-R100 PolarHBondContact O-NH2 3.46Å; I91-L107 HydrophobicContact CD1-CB 4.4Å; I91-L107 HydrophobicContact CD1-CD2 3.83Å; I91-L123 HydrophobicContact CG2-CD1 4.08Å; I91-L123 HydrophobicContact CG2-CD2 3.88Å; I91-L123 HydrophobicContact CG2-CG 4.16Å
92K87.9Confident89.3Confident130 Ų13057.4 Ų57.457%0.56528%0.276SS*.Hα-helixtrans-67.2-29.1179.6-72.8177.6179.6174.60113.1I88 E89 E94 R100I88-K92 HydrophobicContact CG2-CD 4.02Å; I88-K92 HydrophobicContact CG2-CG 4.36Å; I88-K92 WeakPolarHBondContact O-CG 3.42Å; I88-K92 PolarHBondContact O-N 3.13Å; E89-K92 PolarHBondContact O-N 3.36Å; E89-K92 VanDerWaalsContact O-N 3.09Å; K92-E94 PolarHBondContact O-N 2.83Å; K92-R100 PolarHBondContact O-NH2 3.12Å
93Q82.1Confident89.5Confident77 Ų7756.9 Ų56.936%0.3627%0.273SS..  trans-57.7103.4177.7-71-55.8-44.200111.7E89 I91E89-Q93 VanDerWaalsContact O-CG 3.29Å; E89-Q93 WeakPolarHBondContact O-CG 3.04Å; E89-Q93 PolarHBondContact O-N 3.03Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.42Å
94E79Confident89.7Confident144 Ų14451.3 Ų51.367%0.67324%0.243SC*.SBendtrans-69.2-41.3178.3-74.4-179.4-179.400115.1K92 Y96 R100 R128K92-E94 PolarHBondContact O-N 2.83Å; E94-Y96 VanDerWaalsContact C-N 3.31Å; E94-Y96 PolarHBondContact O-N 3.18Å; E94-R100 VanDerWaalsContact CG-NH2 3.28Å; E94-R128 VanDerWaalsContact O-CZ 3.32Å; E94-R128 PolarHBondContact O-NH1 2.97Å; E94-R128 PolarHBondContact O-NH2 3.29Å
95P85.7Confident90Very high88 Ų8845.9 Ų45.957%0.57122%0.22SC*.SBendtrans-69.6-29.1-170.523.8-31.6000113.3
96Y89.9Confident90.3Very high106 Ų10640.6 Ų40.642%0.41619%0.191SC..  trans-104.685.6-171.2-58-65.8000112.3V52 E94 Y98 A99 R100V52-Y96 HydrophobicContact CB-CD1 4.22Å; V52-Y96 HydrophobicContact CB-CE1 4.15Å; V52-Y96 HydrophobicContact CG1-CD1 3.76Å; V52-Y96 HydrophobicContact CG1-CE1 3.32Å; V52-Y96 HydrophobicContact CG2-CD1 3.88Å; V52-Y96 HydrophobicContact CG2-CD2 3.83Å; V52-Y96 HydrophobicContact CG2-CE1 3.85Å; V52-Y96 HydrophobicContact CG2-CE2 3.79Å; V52-Y96 HydrophobicContact CG2-CG 3.86Å; E94-Y96 VanDerWaalsContact C-N 3.31Å; E94-Y96 PolarHBondContact O-N 3.18Å; Y96-Y98 VanDerWaalsContact C-N 3.28Å; Y96-Y98 PolarHBondContact O-N 3.43Å; Y96-A99 PolarHBondContact O-N 3.47Å; Y96-A99 VanDerWaalsContact O-N 3.12Å; Y96-R100 PolarHBondContact O-N 3.24Å
97K91.9Very high90.4Very high62 Ų6238.8 Ų38.827%0.2718%0.182SC..Hα-helixtrans-54.2-38.7179.166.4-170.5-176.6178.80114R100 A101 R129 L130 M144K97-R100 PolarHBondContact O-N 3.23Å; K97-A101 PolarHBondContact O-N 3.12Å; K97-R129 WeakPolarHBondContact CE-O 3.19Å; K97-R129 PolarHBondContact NZ-O 2.95Å; K97-L130 HydrophobicContact CB-CD2 3.92Å; K97-L130 HydrophobicContact CD-CD2 3.87Å; K97-L130 HydrophobicContact CG-CD2 3.72Å; K97-M144 HydrophobicContact CB-CE 4.15Å; K97-M144 WeakPolarHBondContact O-CE 3.47Å
98Y93.5Very high90.5Very high24 Ų2439 Ų399%0.09418%0.182CC..Hα-helixtrans-74.3-32.5-179.9-61.8-70.8000113.1L54 R55 V57 Y96 A101 L102 L130 K131L54-Y98 HydrophobicContact CB-CG 4.21Å; L54-Y98 WeakPolarHBondContact O-CD2 3.32Å; R55-Y98 PolarHBondContact O-OH 3.5Å; V57-Y98 HydrophobicContact CG2-CD1 3.8Å; V57-Y98 HydrophobicContact CG2-CE1 4.18Å; Y96-Y98 VanDerWaalsContact C-N 3.28Å; Y96-Y98 PolarHBondContact O-N 3.43Å; Y98-A101 PolarHBondContact O-N 3.36Å; Y98-L102 VanDerWaalsContact O-CB 3.27Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 PolarHBondContact O-N 2.98Å; Y98-L130 HydrophobicContact CD1-CD2 4.09Å; Y98-L130 HydrophobicContact CE1-CD2 3.89Å; Y98-K131 PolarHBondContact OH-N 3.35Å
99A92.4Very high90.6Very high3 Ų338 Ų383%0.02518%0.177CC..Hα-helixtrans-67.4-40.9173.600000110.7A51 F90 Y96 L102 G103A51-A99 HydrophobicContact CB-CB 3.98Å; F90-A99 HydrophobicContact CD1-CB 4.11Å; Y96-A99 PolarHBondContact O-N 3.47Å; Y96-A99 VanDerWaalsContact O-N 3.12Å; A99-L102 WeakPolarHBondContact O-CB 3.48Å; A99-L102 PolarHBondContact O-N 3.49Å; A99-G103 PolarHBondContact O-N 3.21Å
100R92.7Very high90.6Very high26 Ų2635 Ų3510%0.09817%0.165CC..Hα-helixtrans-59.5-48.9172.3177.3177.2-76.4-169.4-6.9112.3F90 I91 K92 E94 Y96 K97 L102 G103 A104 L123 D126 M144F90-R100 WeakPolarHBondContact O-CA 3.29Å; I91-R100 PolarHBondContact O-NE 2.93Å; I91-R100 PolarHBondContact O-NH2 3.46Å; K92-R100 PolarHBondContact O-NH2 3.12Å; E94-R100 VanDerWaalsContact CG-NH2 3.28Å; Y96-R100 PolarHBondContact O-N 3.24Å; K97-R100 PolarHBondContact O-N 3.23Å; R100-L102 VanDerWaalsContact C-N 3.27Å; R100-L102 PolarHBondContact O-N 3.44Å; R100-G103 PolarHBondContact O-N 3.4Å; R100-A104 WeakPolarHBondContact O-CB 3.48Å; R100-A104 PolarHBondContact O-N 2.89Å; R100-L123 HydrophobicContact CG-CD1 4.25Å; R100-L123 HydrophobicContact CG-CD2 3.97Å; R100-D126 WeakPolarHBondContact CD-OD2 3.26Å; R100-D126 IonicContact CZ-OD2 3.61Å; R100-D126 IonicContact NE-OD2 2.73Å; R100-D126 IonicContact NH1-OD2 3.72Å; R100-D126 PolarHBondContact NH1-OD2 2.99Å; R100-M144 HydrophobicContact CB-CE 4.28Å; R100-M144 HydrophobicContact CG-CE 4.2Å
101A93.6Very high90.6Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-59.8-37.7175.400000112.4V57 F70 K97 Y98 F105 L130 M144 F147V57-A101 HydrophobicContact CG2-CB 4.19Å; F70-A101 HydrophobicContact CE2-CB 4.34Å; K97-A101 PolarHBondContact O-N 3.12Å; Y98-A101 PolarHBondContact O-N 3.36Å; A101-F105 VanDerWaalsContact O-CB 3.31Å; A101-F105 WeakPolarHBondContact O-CB 3.37Å; A101-F105 PolarHBondContact O-N 2.7Å; A101-L130 HydrophobicContact CB-CD1 4.42Å; A101-M144 HydrophobicContact CB-CE 3.99Å; A101-M144 HydrophobicContact CB-SD 4.08Å; A101-F147 HydrophobicContact CB-CD1 4.12Å; A101-F147 HydrophobicContact CB-CE1 3.88Å
102L94Very high90.5Very high0 Ų039.6 Ų39.60%019%0.192CC..Hα-helixtrans-68.8-42.5178.1174.7142.8000111.9L54 F70 L73 M77 Y98 A99 R100 F105 Y106L54-L102 HydrophobicContact CD1-CD1 3.76Å; F70-L102 HydrophobicContact CD2-CB 4.28Å; F70-L102 HydrophobicContact CD2-CD1 4.47Å; F70-L102 HydrophobicContact CE2-CB 3.7Å; F70-L102 HydrophobicContact CZ-CB 4.45Å; L73-L102 HydrophobicContact CB-CD1 3.62Å; L73-L102 HydrophobicContact CD1-CD1 4.16Å; M77-L102 HydrophobicContact CE-CD2 4.22Å; M77-L102 HydrophobicContact SD-CD2 3.23Å; M77-L102 WeakPolarHBondContact SD-CD2 3.34Å; M77-L102 HydrophobicContact SD-CG 3.97Å; Y98-L102 VanDerWaalsContact O-CB 3.27Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 PolarHBondContact O-N 2.98Å; A99-L102 WeakPolarHBondContact O-CB 3.48Å; A99-L102 PolarHBondContact O-N 3.49Å; R100-L102 VanDerWaalsContact C-N 3.27Å; R100-L102 PolarHBondContact O-N 3.44Å; L102-F105 PolarHBondContact O-N 3.09Å; L102-Y106 WeakPolarHBondContact O-CB 3.5Å; L102-Y106 PolarHBondContact O-N 3.29Å
103G93.1Very high90.5Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-62.1-45.617300000112.2A99 R100 F105 Y106 L107A99-G103 PolarHBondContact O-N 3.21Å; R100-G103 PolarHBondContact O-N 3.4Å; G103-F105 PolarHBondContact O-N 2.91Å; G103-Y106 PolarHBondContact O-N 3.32Å; G103-L107 WeakPolarHBondContact O-CB 3.27Å; G103-L107 PolarHBondContact O-N 3.47Å
104A93.7Very high90.8Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-59.4-45.2175.400000112.3R100 L107 R108 L120 L123 I148 L151R100-A104 WeakPolarHBondContact O-CB 3.48Å; R100-A104 PolarHBondContact O-N 2.89Å; A104-L107 PolarHBondContact O-N 3.29Å; A104-R108 WeakPolarHBondContact O-CB 3.31Å; A104-R108 PolarHBondContact O-N 2.87Å; A104-L120 HydrophobicContact CB-CD2 3.55Å; A104-L123 HydrophobicContact CB-CD1 3.78Å; A104-I148 HydrophobicContact CB-CD1 3.61Å; A104-L151 HydrophobicContact CB-CD1 4.37Å
105F94.3Very high91.3Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-64.6-41.3178-172.1-126.1000112.4F70 T74 A101 L102 G103 R108 L109 L151 V157 C158 V160 L162F70-F105 HydrophobicContact CE1-CB 4.36Å; F70-F105 AromaticContact CE1-CD1 3.59Å; F70-F105 HydrophobicContact CE1-CD1 3.59Å; F70-F105 HydrophobicContact CE1-CE1 4.03Å; F70-F105 HydrophobicContact CE1-CG 4.06Å; F70-F105 HydrophobicContact CZ-CB 3.87Å; F70-F105 AromaticContact CZ-CD1 3.95Å; F70-F105 HydrophobicContact CZ-CD1 3.95Å; F70-F105 HydrophobicContact CZ-CG 4.08Å; T74-F105 HydrophobicContact CG2-CD1 3.54Å; T74-F105 HydrophobicContact CG2-CE1 3.66Å; A101-F105 VanDerWaalsContact O-CB 3.31Å; A101-F105 WeakPolarHBondContact O-CB 3.37Å; A101-F105 PolarHBondContact O-N 2.7Å; L102-F105 PolarHBondContact O-N 3.09Å; G103-F105 PolarHBondContact O-N 2.91Å; F105-R108 PolarHBondContact O-N 2.96Å; F105-L109 HydrophobicContact CD1-CD1 4.33Å; F105-L109 HydrophobicContact CE1-CD1 4.09Å; F105-L109 HydrophobicContact CZ-CD1 4.28Å; F105-L109 WeakPolarHBondContact O-CG 3.48Å; F105-L109 PolarHBondContact O-N 3.4Å; F105-L151 HydrophobicContact CD2-CD1 4.5Å; F105-L151 HydrophobicContact CD2-CD2 3.45Å; F105-L151 VanDerWaalsContact CD2-CD2 3.45Å; F105-L151 HydrophobicContact CE2-CD2 3.89Å; F105-V157 HydrophobicContact CE2-CB 4.38Å; F105-V157 HydrophobicContact CE2-CG1 4.4Å; F105-C158 HydrophobicContact CZ-CB 4.1Å; F105-V160 HydrophobicContact CE1-CG2 4.22Å; F105-V160 HydrophobicContact CZ-CB 3.93Å; F105-V160 HydrophobicContact CZ-CG2 3.71Å; F105-L162 HydrophobicContact CE2-CD2 4Å
106Y93.7Very high91.6Very high8 Ų824.8 Ų24.83%0.03112%0.123CC..Hα-helixtrans-65.5-44.7175.8179.4-97.6000112M77 L78 P82 V87 L102 G103 R108 L109 V110M77-Y106 HydrophobicContact CB-CD2 3.51Å; M77-Y106 HydrophobicContact CB-CE2 3.64Å; M77-Y106 HydrophobicContact CB-CG 4.27Å; M77-Y106 HydrophobicContact CE-CD1 3.78Å; M77-Y106 HydrophobicContact CE-CD2 4.08Å; M77-Y106 HydrophobicContact CE-CE1 4.35Å; M77-Y106 HydrophobicContact CE-CG 3.61Å; M77-Y106 HydrophobicContact CG-CD2 4.45Å; M77-Y106 HydrophobicContact SD-CD2 4.16Å; M77-Y106 HydrophobicContact SD-CG 4.05Å; L78-Y106 HydrophobicContact CD2-CD2 4.17Å; L78-Y106 HydrophobicContact CD2-CE2 3.82Å; L78-Y106 HydrophobicContact CG-CD2 4.4Å; L78-Y106 HydrophobicContact CG-CE2 4.22Å; P82-Y106 HydrophobicContact CG-CE1 4.33Å; V87-Y106 HydrophobicContact CB-CD1 4.38Å; V87-Y106 HydrophobicContact CG1-CD1 3.88Å; V87-Y106 HydrophobicContact CG2-CD1 3.52Å; V87-Y106 HydrophobicContact CG2-CE1 3.51Å; L102-Y106 WeakPolarHBondContact O-CB 3.5Å; L102-Y106 PolarHBondContact O-N 3.29Å; G103-Y106 PolarHBondContact O-N 3.32Å; Y106-R108 VanDerWaalsContact C-N 3.27Å; Y106-R108 PolarHBondContact O-N 3.21Å; Y106-L109 PolarHBondContact O-N 3.13Å; Y106-L109 VanDerWaalsContact O-N 3.09Å; Y106-V110 HydrophobicContact CD2-CG2 4.19Å; Y106-V110 HydrophobicContact CE1-CB 4.34Å; Y106-V110 HydrophobicContact CE1-CG2 4.15Å; Y106-V110 HydrophobicContact CE2-CG2 3.7Å; Y106-V110 PolarHBondContact O-N 2.88Å
107L92.8Very high91.6Very high14 Ų1420.6 Ų20.67%0.07311%0.107CC..Hα-helixtrans-60.2-39.9176.9-172.970.8000111.2V87 I91 G103 A104 L109 V110 G111 I116 Y119V87-L107 HydrophobicContact CG1-CB 4.19Å; V87-L107 HydrophobicContact CG1-CD1 4.49Å; I91-L107 HydrophobicContact CD1-CB 4.4Å; I91-L107 HydrophobicContact CD1-CD2 3.83Å; G103-L107 WeakPolarHBondContact O-CB 3.27Å; G103-L107 PolarHBondContact O-N 3.47Å; A104-L107 PolarHBondContact O-N 3.29Å; L107-L109 VanDerWaalsContact C-N 3.25Å; L107-L109 PolarHBondContact O-N 3.15Å; L107-V110 PolarHBondContact O-N 2.91Å; L107-G111 VanDerWaalsContact O-CA 3.29Å; L107-G111 WeakPolarHBondContact O-CA 3.39Å; L107-G111 PolarHBondContact O-N 3.4Å; L107-I116 HydrophobicContact CG-CG1 4.42Å; L107-Y119 HydrophobicContact CD2-CD2 3.85Å; L107-Y119 HydrophobicContact CD2-CG 4.02Å
108R92.5Very high91.4Very high9 Ų923.7 Ų23.73%0.03412%0.12CC..Hα-helixtrans-61.1-32.4176176.658.6-174.991.5-1.8113.5A104 F105 Y106 L120 L151 L162 P163A104-R108 WeakPolarHBondContact O-CB 3.31Å; A104-R108 PolarHBondContact O-N 2.87Å; F105-R108 PolarHBondContact O-N 2.96Å; Y106-R108 VanDerWaalsContact C-N 3.27Å; Y106-R108 PolarHBondContact O-N 3.21Å; R108-L120 HydrophobicContact CB-CD1 4.36Å; R108-L151 WeakPolarHBondContact CD-O 3.15Å; R108-L151 HydrophobicContact CG-CB 4.19Å; R108-L151 HydrophobicContact CG-CD2 4.42Å; R108-L151 PolarHBondContact NE-O 2.97Å; R108-L162 HydrophobicContact CG-CD1 4.06Å; R108-L162 HydrophobicContact CG-CD2 4.21Å; R108-P163 VanDerWaalsContact CZ-O 3.32Å; R108-P163 PolarHBondContact NH1-O 3.33Å; R108-P163 PolarHBondContact NH2-O 3.44Å
109L91.6Very high91.3Very high0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-82-38.9-179.2-70.6173.1000112.6H13 L20 T74 L78 F105 Y106 L107 V160 L162H13-L109 PolarHBondContact CD2-O 2.94Å; H13-L109 PolarHBondContact NE2-O 3.41Å; L20-L109 HydrophobicContact CD1-CB 4.12Å; T74-L109 HydrophobicContact CG2-CD1 3.87Å; L78-L109 HydrophobicContact CD1-CD1 4.35Å; F105-L109 HydrophobicContact CD1-CD1 4.33Å; F105-L109 HydrophobicContact CE1-CD1 4.09Å; F105-L109 HydrophobicContact CZ-CD1 4.28Å; F105-L109 WeakPolarHBondContact O-CG 3.48Å; F105-L109 PolarHBondContact O-N 3.4Å; Y106-L109 PolarHBondContact O-N 3.13Å; Y106-L109 VanDerWaalsContact O-N 3.09Å; L107-L109 VanDerWaalsContact C-N 3.25Å; L107-L109 PolarHBondContact O-N 3.15Å; L109-V160 HydrophobicContact CD2-CG1 3.83Å; L109-L162 HydrophobicContact CD2-CD2 3.6Å; L109-L162 HydrophobicContact CG-CD2 4.41Å
110V91Very high91.1Very high33 Ų3326 Ų2620%0.213%0.129CC..Hα-helixtrans-103.1-30.4-170.5179.20000113.4V12 L78 Y106 L107V12-V110 HydrophobicContact CG1-CB 4.19Å; V12-V110 HydrophobicContact CG1-CG1 3.99Å; V12-V110 HydrophobicContact CG1-CG2 4.21Å; V12-V110 HydrophobicContact CG2-CG1 3.91Å; L78-V110 HydrophobicContact CD2-CG2 3.65Å; Y106-V110 HydrophobicContact CD2-CG2 4.19Å; Y106-V110 HydrophobicContact CE1-CB 4.34Å; Y106-V110 HydrophobicContact CE1-CG2 4.15Å; Y106-V110 HydrophobicContact CE2-CG2 3.7Å; Y106-V110 PolarHBondContact O-N 2.88Å; L107-V110 PolarHBondContact O-N 2.91Å
111G87.5Confident90.9Very high9 Ų926.4 Ų26.49%0.09313%0.132CC..SBendtrans-74.3162.5-169.200000114.7L107 I116L107-G111 VanDerWaalsContact O-CA 3.29Å; L107-G111 WeakPolarHBondContact O-CA 3.39Å; L107-G111 PolarHBondContact O-N 3.4Å; G111-I116 VanDerWaalsContact O-CD1 3.31Å; G111-I116 WeakPolarHBondContact O-CD1 3.47Å
112D88Confident90.6Very high99 Ų9930.3 Ų30.353%0.52916%0.156SC..  trans-74.9152.2170.5-64.5-42.4000110.2V114 E115 I116D112-V114 PolarHBondContact O-N 3.15Å; D112-V114 VanDerWaalsContact O-N 3.16Å; D112-E115 HydrophobicContact CB-CG 4.38Å; D112-E115 PolarHBondContact O-N 3.38Å; D112-E115 VanDerWaalsContact O-N 3.08Å; D112-I116 VanDerWaalsContact O-CG1 3.26Å; D112-I116 WeakPolarHBondContact O-CG1 3.5Å; D112-I116 PolarHBondContact O-N 3.35Å
113S88.3Confident90.3Very high30 Ų3030.5 Ų30.521%0.2116%0.157CC..Hα-helixtrans-55.7-39.3-177.8-600000112.2I116 Y117S113-I116 PolarHBondContact O-N 2.77Å; S113-Y117 WeakPolarHBondContact O-CD2 3.4Å; S113-Y117 PolarHBondContact O-N 3.48Å; S113-Y117 VanDerWaalsContact O-N 3.15Å
114V88.2Confident90.1Very high44 Ų4432 Ų3227%0.26716%0.163SC..Hα-helixtrans-63.7-44.8178179.40000112D112 I116 K118 L177D112-V114 PolarHBondContact O-N 3.15Å; D112-V114 VanDerWaalsContact O-N 3.16Å; V114-I116 VanDerWaalsContact C-N 3.35Å; V114-K118 HydrophobicContact CG1-CD 4.25Å; V114-K118 WeakPolarHBondContact O-CG 3.41Å; V114-K118 PolarHBondContact O-N 3.05Å; V114-K118 VanDerWaalsContact O-N 3.15Å; V114-L177 HydrophobicContact CG1-CD2 3.75Å; V114-L177 HydrophobicContact CG1-CG 4.24Å
115E89.2Confident89.7Confident52 Ų5235.8 Ų35.824%0.24318%0.183CC..Hα-helixtrans-67.6-39.3179.2-65.2-176162.300111.1K84 D112 K118 Y119K84-E115 IonicContact NZ-OE1 3.93Å; K84-E115 PolarHBondContact NZ-OE1 3.16Å; K84-E115 IonicContact NZ-OE2 2.77Å; K84-E115 PolarHBondContact NZ-OE2 3.17Å; D112-E115 HydrophobicContact CB-CG 4.38Å; D112-E115 PolarHBondContact O-N 3.38Å; D112-E115 VanDerWaalsContact O-N 3.08Å; E115-K118 PolarHBondContact O-N 3.4Å; E115-Y119 HydrophobicContact CB-CD2 4.48Å; E115-Y119 VanDerWaalsContact O-CD2 3.24Å; E115-Y119 WeakPolarHBondContact O-CD2 3.43Å; E115-Y119 PolarHBondContact O-N 2.83Å
116I91.4Very high89.5Confident1 Ų136.4 Ų36.41%0.00519%0.186CC..Hα-helixtrans-58.9-51.4178.7-70.9169.5000110.2L107 G111 D112 S113 V114 L120 L152 L165L107-I116 HydrophobicContact CG-CG1 4.42Å; G111-I116 VanDerWaalsContact O-CD1 3.31Å; G111-I116 WeakPolarHBondContact O-CD1 3.47Å; D112-I116 VanDerWaalsContact O-CG1 3.26Å; D112-I116 WeakPolarHBondContact O-CG1 3.5Å; D112-I116 PolarHBondContact O-N 3.35Å; S113-I116 PolarHBondContact O-N 2.77Å; V114-I116 VanDerWaalsContact C-N 3.35Å; I116-L120 HydrophobicContact CG2-CD1 3.59Å; I116-L120 HydrophobicContact CG2-CG 4.11Å; I116-L120 WeakPolarHBondContact O-CB 3.4Å; I116-L120 VanDerWaalsContact O-CG 3.27Å; I116-L120 WeakPolarHBondContact O-CG 3.5Å; I116-L120 PolarHBondContact O-N 3.16Å; I116-L152 HydrophobicContact CG2-CD2 3.7Å; I116-L165 HydrophobicContact CD1-CD2 3.64Å; I116-L165 HydrophobicContact CG2-CD1 4.25Å; I116-L165 HydrophobicContact CG2-CD2 4.38Å
117Y90.3Very high89.3Confident19 Ų1942.4 Ų42.48%0.07521%0.212CC..Hα-helixtrans-62.4-45.6177.6-69.9-65.7000111.6S113 Y119 E121 L152 Q166 R168 L171 L177S113-Y117 WeakPolarHBondContact O-CD2 3.4Å; S113-Y117 PolarHBondContact O-N 3.48Å; S113-Y117 VanDerWaalsContact O-N 3.15Å; Y117-Y119 PolarHBondContact O-N 3.08Å; Y117-E121 WeakPolarHBondContact O-CB 3.43Å; Y117-E121 WeakPolarHBondContact O-CG 3.27Å; Y117-E121 PolarHBondContact O-N 2.73Å; Y117-L152 HydrophobicContact CD1-CD2 4.14Å; Y117-L152 HydrophobicContact CE1-CD2 4Å; Y117-Q166 PolarHBondContact OH-O 3.01Å; Y117-R168 HydrophobicContact CE1-CB 4.42Å; Y117-L171 HydrophobicContact CD2-CD1 3.61Å; Y117-L171 HydrophobicContact CE2-CD1 3.41Å; Y117-L171 VanDerWaalsContact CE2-CD1 3.41Å; Y117-L177 HydrophobicContact CD2-CD1 3.47Å; Y117-L177 VanDerWaalsContact CD2-CD1 3.47Å; Y117-L177 HydrophobicContact CE2-CD1 4.44Å; Y117-L177 HydrophobicContact CG-CD1 3.83Å
118K88.2Confident89.3Confident127 Ų12745 Ų4555%0.55222%0.221SC*.Hα-helixtrans-56.3-44.8-179.7-75.9178.3-179.4-177.20113.6V114 E115 L177V114-K118 HydrophobicContact CG1-CD 4.25Å; V114-K118 WeakPolarHBondContact O-CG 3.41Å; V114-K118 PolarHBondContact O-N 3.05Å; V114-K118 VanDerWaalsContact O-N 3.15Å; E115-K118 PolarHBondContact O-N 3.4Å; K118-L177 HydrophobicContact CD-CD2 4.48Å; K118-L177 HydrophobicContact CG-CD2 3.93Å
119Y90.2Very high89.4Confident76 Ų7651.6 Ų51.630%0.29825%0.246SC..Hα-helixtrans-88.4-41.8-176.8-70.2-68.1000112.9I88 L107 E115 Y117 E121 T122I88-Y119 HydrophobicContact CD1-CE1 4.28Å; I88-Y119 HydrophobicContact CD1-CE2 4.17Å; I88-Y119 VanDerWaalsContact CD1-OH 3.26Å; I88-Y119 WeakPolarHBondContact CD1-OH 3.49Å; I88-Y119 HydrophobicContact CG1-CE1 3.96Å; I88-Y119 HydrophobicContact CG1-CE2 4.15Å; I88-Y119 HydrophobicContact CG2-CE1 3.91Å; L107-Y119 HydrophobicContact CD2-CD2 3.85Å; L107-Y119 HydrophobicContact CD2-CG 4.02Å; E115-Y119 HydrophobicContact CB-CD2 4.48Å; E115-Y119 VanDerWaalsContact O-CD2 3.24Å; E115-Y119 WeakPolarHBondContact O-CD2 3.43Å; E115-Y119 PolarHBondContact O-N 2.83Å; Y117-Y119 PolarHBondContact O-N 3.08Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.86Å; Y119-T122 PolarHBondContact O-N 3.5Å; Y119-T122 PolarHBondContact O-OG1 2.87Å
120L89.6Confident89.5Confident0 Ų051.8 Ų51.80%025%0.247CC..Hα-helixtrans-69.7-31-178.5-64.3-167.4000111.9A104 R108 I116 T122 L123 I148 L152A104-L120 HydrophobicContact CB-CD2 3.55Å; R108-L120 HydrophobicContact CB-CD1 4.36Å; I116-L120 HydrophobicContact CG2-CD1 3.59Å; I116-L120 HydrophobicContact CG2-CG 4.11Å; I116-L120 WeakPolarHBondContact O-CB 3.4Å; I116-L120 VanDerWaalsContact O-CG 3.27Å; I116-L120 WeakPolarHBondContact O-CG 3.5Å; I116-L120 PolarHBondContact O-N 3.16Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 2.82Å; L120-L123 HydrophobicContact CD2-CD1 4.15Å; L120-L123 VanDerWaalsContact O-CB 3.31Å; L120-L123 WeakPolarHBondContact O-CB 3.14Å; L120-L123 PolarHBondContact O-N 3.13Å; L120-I148 HydrophobicContact CB-CG2 3.94Å; L120-I148 HydrophobicContact CD2-CD1 4.33Å; L120-I148 WeakPolarHBondContact O-CG2 3.28Å; L120-L152 HydrophobicContact CB-CD1 4.38Å; L120-L152 HydrophobicContact CB-CD2 4.5Å; L120-L152 HydrophobicContact CD1-CD2 3.87Å; L120-L152 HydrophobicContact CD1-CG 4.22Å
121E87.3Confident89.6Confident34 Ų3455.8 Ų55.816%0.15926%0.262CS..Hα-helixtrans-68.3-31.2-179.3-71.4-173.8149.500113.5Y117 Y119 L123 Y124 R168 R180Y117-E121 WeakPolarHBondContact O-CB 3.43Å; Y117-E121 WeakPolarHBondContact O-CG 3.27Å; Y117-E121 PolarHBondContact O-N 2.73Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.86Å; E121-L123 PolarHBondContact O-N 2.85Å; E121-Y124 HydrophobicContact CB-CD2 4.43Å; E121-Y124 HydrophobicContact CG-CD2 4.37Å; E121-Y124 HydrophobicContact CG-CE2 4.33Å; E121-Y124 WeakPolarHBondContact O-CB 3.35Å; E121-Y124 PolarHBondContact O-N 3.29Å; E121-Y124 VanDerWaalsContact O-N 3.15Å; E121-R168 IonicContact OE1-CZ 2.82Å; E121-R168 IonicContact OE1-NH1 2.87Å; E121-R168 PolarHBondContact OE1-NH1 2.83Å; E121-R168 IonicContact OE2-CZ 2.83Å; E121-R168 IonicContact OE2-NH1 2.73Å; E121-R168 PolarHBondContact OE2-NH1 3.27Å; E121-R168 IonicContact OE2-NH2 3.91Å; E121-R180 IonicContact OE1-NH1 3.86Å
122T87Confident89.9Confident81 Ų8157 Ų5750%0.49726%0.264SS..Hα-helixtrans-62.7-23.6172.766.70000112.6Y119 L120 N125Y119-T122 PolarHBondContact O-N 3.5Å; Y119-T122 PolarHBondContact O-OG1 2.87Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 2.82Å; T122-N125 PolarHBondContact O-ND2 3.46Å
123L88.7Confident90.2Very high5 Ų552.8 Ų52.83%0.02624%0.242CC..G310 helixtrans-82.1-10.3179.7-61.4-176.6000113.7I91 R100 A104 L120 E121 N125 D126 I148I91-L123 HydrophobicContact CG2-CD1 4.08Å; I91-L123 HydrophobicContact CG2-CD2 3.88Å; I91-L123 HydrophobicContact CG2-CG 4.16Å; R100-L123 HydrophobicContact CG-CD1 4.25Å; R100-L123 HydrophobicContact CG-CD2 3.97Å; A104-L123 HydrophobicContact CB-CD1 3.78Å; L120-L123 HydrophobicContact CD2-CD1 4.15Å; L120-L123 VanDerWaalsContact O-CB 3.31Å; L120-L123 WeakPolarHBondContact O-CB 3.14Å; L120-L123 PolarHBondContact O-N 3.13Å; E121-L123 PolarHBondContact O-N 2.85Å; L123-N125 PolarHBondContact O-N 2.94Å; L123-D126 WeakPolarHBondContact O-CB 3.46Å; L123-D126 PolarHBondContact O-N 3.44Å; L123-D126 VanDerWaalsContact O-N 3.09Å; L123-I148 HydrophobicContact CB-CD1 4.28Å; L123-I148 HydrophobicContact CB-CG1 3.82Å; L123-I148 HydrophobicContact CD1-CD1 3.81Å; L123-I148 HydrophobicContact CD1-CG1 4.28Å
124Y87.5Confident90.3Very high32 Ų3254.3 Ų54.313%0.12525%0.247CC..G310 helixtrans-63.2-18.9170.6-83.4-70.4000112.8E121 D126 F127 D145 I148 D149 L152E121-Y124 HydrophobicContact CB-CD2 4.43Å; E121-Y124 HydrophobicContact CG-CD2 4.37Å; E121-Y124 HydrophobicContact CG-CE2 4.33Å; E121-Y124 WeakPolarHBondContact O-CB 3.35Å; E121-Y124 PolarHBondContact O-N 3.29Å; E121-Y124 VanDerWaalsContact O-N 3.15Å; Y124-D126 PolarHBondContact O-N 3.27Å; Y124-F127 WeakPolarHBondContact O-CE1 3.47Å; Y124-D145 HydrophobicContact CD1-CB 4.18Å; Y124-I148 HydrophobicContact CE2-CG2 4.29Å; Y124-D149 HydrophobicContact CE1-CB 3.92Å; Y124-D149 WeakPolarHBondContact OH-CA 3.26Å; Y124-D149 PolarHBondContact OH-OD1 3.04Å; Y124-L152 HydrophobicContact CE2-CD1 3.77Å
125N87.2Confident90.3Very high78 Ų7857.8 Ų57.842%0.41726%0.259SS..G310 helixtrans-79.4-3.5177-57.3-34.6000112.8T122 L123 L183T122-N125 PolarHBondContact O-ND2 3.46Å; L123-N125 PolarHBondContact O-N 2.94Å; N125-L183 HydrophobicContact CB-CD1 4.23Å; N125-L183 WeakPolarHBondContact ND2-CD1 3.4Å; N125-L183 VanDerWaalsContact OD1-CD1 3.24Å; N125-L183 WeakPolarHBondContact OD1-CD1 3.49Å
126D89.5Confident90.2Very high13 Ų1362.7 Ų62.77%0.0728%0.284CS..  trans-96.8102.8-178.9-167.7-16.2000111.1R100 L123 Y124 R128 M144 D145R100-D126 WeakPolarHBondContact CD-OD2 3.26Å; R100-D126 IonicContact CZ-OD2 3.61Å; R100-D126 IonicContact NE-OD2 2.73Å; R100-D126 IonicContact NH1-OD2 3.72Å; R100-D126 PolarHBondContact NH1-OD2 2.99Å; L123-D126 WeakPolarHBondContact O-CB 3.46Å; L123-D126 PolarHBondContact O-N 3.44Å; L123-D126 VanDerWaalsContact O-N 3.09Å; Y124-D126 PolarHBondContact O-N 3.27Å; D126-R128 VanDerWaalsContact C-N 3.34Å; D126-R128 PolarHBondContact O-N 3.11Å; D126-R128 VanDerWaalsContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CB 3.39Å; D126-R128 WeakPolarHBondContact OD1-CD 3.41Å; D126-R128 WeakPolarHBondContact OD1-CG 3.47Å; D126-R128 IonicContact OD1-CZ 3.31Å; D126-R128 PolarHBondContact OD1-N 3.45Å; D126-R128 IonicContact OD1-NE 3.15Å; D126-R128 PolarHBondContact OD1-NE 2.85Å; D126-R128 IonicContact OD1-NH2 3.68Å; D126-R128 IonicContact OD2-CZ 2.77Å; D126-R128 VanDerWaalsContact OD2-CZ 3.31Å; D126-R128 IonicContact OD2-NE 3.72Å; D126-R128 PolarHBondContact OD2-NE 3.25Å; D126-R128 VanDerWaalsContact OD2-NE 3.15Å; D126-R128 IonicContact OD2-NH2 2.77Å; D126-R128 PolarHBondContact OD2-NH2 3.43Å; D126-M144 HydrophobicContact CB-CB 4.17Å; D126-M144 HydrophobicContact CB-CG 3.91Å; D126-M144 WeakPolarHBondContact O-CB 3.45Å; D126-D145 PolarHBondContact O-N 2.9Å
127F90.3Very high90Very high134 Ų13463.7 Ų63.759%0.58830%0.295SS*.  trans-9524-178.9-53.4-67.2000113.5Y124 Y143 D145Y124-F127 WeakPolarHBondContact O-CE1 3.47Å; F127-Y143 WeakPolarHBondContact O-CD1 3.23Å; F127-D145 VanDerWaalsContact CD1-OD2 3.3Å; F127-D145 WeakPolarHBondContact CD1-OD2 3.01Å; F127-D145 WeakPolarHBondContact CE1-OD2 3.44Å
128R91.7Very high90Very high70 Ų7068 Ų6826%0.26432%0.318SS..  trans-77.3140.9-176.9-68.5179.2-61.7169.3-5.7111.9E94 D126 L130 M144E94-R128 VanDerWaalsContact O-CZ 3.32Å; E94-R128 PolarHBondContact O-NH1 2.97Å; E94-R128 PolarHBondContact O-NH2 3.29Å; D126-R128 VanDerWaalsContact C-N 3.34Å; D126-R128 PolarHBondContact O-N 3.11Å; D126-R128 VanDerWaalsContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CB 3.39Å; D126-R128 WeakPolarHBondContact OD1-CD 3.41Å; D126-R128 WeakPolarHBondContact OD1-CG 3.47Å; D126-R128 IonicContact OD1-CZ 3.31Å; D126-R128 PolarHBondContact OD1-N 3.45Å; D126-R128 IonicContact OD1-NE 3.15Å; D126-R128 PolarHBondContact OD1-NE 2.85Å; D126-R128 IonicContact OD1-NH2 3.68Å; D126-R128 IonicContact OD2-CZ 2.77Å; D126-R128 VanDerWaalsContact OD2-CZ 3.31Å; D126-R128 IonicContact OD2-NE 3.72Å; D126-R128 PolarHBondContact OD2-NE 3.25Å; D126-R128 VanDerWaalsContact OD2-NE 3.15Å; D126-R128 IonicContact OD2-NH2 2.77Å; D126-R128 PolarHBondContact OD2-NH2 3.43Å; R128-L130 PolarHBondContact O-N 3.28Å; R128-M144 PolarHBondContact O-N 3.42Å
129R94.1Very high90.3Very high147 Ų14767.5 Ų67.556%0.55532%0.317SS*.EExtended strand (participates in β ladder)trans-71.5125.9177.7-57.3174.278.3-170.63.9111.3K97 L141 I142 Y143K97-R129 WeakPolarHBondContact CE-O 3.19Å; K97-R129 PolarHBondContact NZ-O 2.95Å; R129-L141 HydrophobicContact CB-CD1 4.11Å; R129-L141 HydrophobicContact CB-CD2 4Å; R129-L141 HydrophobicContact CB-CG 4.19Å; R129-L141 HydrophobicContact CG-CD2 3.94Å; R129-L141 VanDerWaalsContact CZ-CD1 3.45Å; R129-L141 VanDerWaalsContact NE-CD1 3.34Å; R129-L141 VanDerWaalsContact NH2-CD1 3.27Å; R129-I142 CarbonylContact C-O 3.57Å; R129-Y143 HydrophobicContact CG-CD1 4.02Å; R129-Y143 HydrophobicContact CG-CE1 3.62Å
130L93.6Very high90.4Very high3 Ų365.7 Ų65.72%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-105151.1170.6-63.1177.1000110.6V57 K97 Y98 A101 R128 L141 I142 M144 F147V57-L130 HydrophobicContact CG2-CD1 4.48Å; K97-L130 HydrophobicContact CB-CD2 3.92Å; K97-L130 HydrophobicContact CD-CD2 3.87Å; K97-L130 HydrophobicContact CG-CD2 3.72Å; Y98-L130 HydrophobicContact CD1-CD2 4.09Å; Y98-L130 HydrophobicContact CE1-CD2 3.89Å; A101-L130 HydrophobicContact CB-CD1 4.42Å; R128-L130 PolarHBondContact O-N 3.28Å; L130-L141 WeakPolarHBondContact O-CA 3.22Å; L130-I142 WeakPolarHBondContact CA-O 3.43Å; L130-I142 PolarHBondContact N-O 3.42Å; L130-I142 PolarHBondContact O-N 2.74Å; L130-I142 VanDerWaalsContact O-O 3.12Å; L130-M144 HydrophobicContact CD1-CB 4.23Å; L130-M144 HydrophobicContact CD1-CE 3.86Å; L130-M144 HydrophobicContact CD1-SD 3.85Å; L130-M144 HydrophobicContact CD2-CE 3.97Å; L130-M144 HydrophobicContact CG-CE 4.31Å; L130-F147 HydrophobicContact CD1-CB 4.22Å
131K94.4Very high90.6Very high118 Ų11869.4 Ų69.451%0.51333%0.334SS..EExtended strand (participates in β ladder)trans-94.9123.2168.5-68.8-176.4177.9-177.50107.4Y56 V57 Y98Y56-K131 CarbonylContact C-O 3.57Å; Y56-K131 VanDerWaalsContact CA-O 3.24Å; Y56-K131 WeakPolarHBondContact CA-O 3.47Å; Y56-K131 WeakPolarHBondContact CB-O 3.29Å; V57-K131 PolarHBondContact N-O 2.86Å; Y98-K131 PolarHBondContact OH-N 3.35Å
132F94.1Very high90.9Very high33 Ų3369 Ų6915%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-109.3139.8176.1-175.7-95.6000109.8V57 D134 F139 S140 I142V57-F132 HydrophobicContact CB-CD2 4.42Å; V57-F132 HydrophobicContact CG1-CD2 4.33Å; V57-F132 CarbonylContact O-C 3.6Å; V57-F132 VanDerWaalsContact O-CA 3.29Å; V57-F132 WeakPolarHBondContact O-CA 3.44Å; F132-D134 VanDerWaalsContact CD1-OD1 3.27Å; F132-D134 WeakPolarHBondContact CD1-OD1 3.24Å; F132-D134 WeakPolarHBondContact CE1-OD1 3.49Å; F132-F139 CarbonylContact O-C 3.51Å; F132-F139 VanDerWaalsContact O-CA 3.26Å; F132-F139 WeakPolarHBondContact O-CA 3.34Å; F132-S140 WeakPolarHBondContact CD1-OG 3.37Å; F132-S140 PolarHBondContact N-O 3.37Å; F132-S140 PolarHBondContact O-N 3.09Å; F132-S140 PolarHBondContact O-OG 2.78Å; F132-I142 HydrophobicContact CB-CB 4.43Å; F132-I142 HydrophobicContact CB-CD1 3.37Å; F132-I142 HydrophobicContact CB-CG1 3.76Å; F132-I142 HydrophobicContact CD1-CD1 3.83Å; F132-I142 HydrophobicContact CD2-CD1 3.92Å; F132-I142 HydrophobicContact CG-CD1 3.44Å; F132-I142 VanDerWaalsContact CG-CD1 3.44Å; F132-I142 HydrophobicContact CG-CG1 4.37Å
133Q92.9Very high91.3Very high12 Ų1269.9 Ų69.96%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-105.9116.1176.9-171.2174.728.300110Y56 V57 T68 F139Y56-Q133 HydrophobicContact CD2-CB 4.12Å; V57-Q133 PolarHBondContact O-N 3.33Å; T68-Q133 HydrophobicContact CG2-CB 4.48Å; T68-Q133 VanDerWaalsContact CG2-OE1 3.23Å; Q133-F139 HydrophobicContact CB-CD1 4.19Å; Q133-F139 HydrophobicContact CB-CE1 3.99Å; Q133-F139 HydrophobicContact CG-CD1 4.47Å; Q133-F139 HydrophobicContact CG-CE1 4.11Å; Q133-F139 HydrophobicContact CG-CZ 4.48Å
134D90Very high91.4Very high61 Ų6169.7 Ų69.733%0.32633%0.327SS..  trans-73.3167.3177.7-66.2-19000111.8F132 M136 G137 N138 S140F132-D134 VanDerWaalsContact CD1-OD1 3.27Å; F132-D134 WeakPolarHBondContact CD1-OD1 3.24Å; F132-D134 WeakPolarHBondContact CE1-OD1 3.49Å; D134-M136 PolarHBondContact O-N 3.08Å; D134-M136 VanDerWaalsContact O-N 3.12Å; D134-G137 WeakPolarHBondContact O-CA 3.48Å; D134-G137 PolarHBondContact O-N 3.45Å; D134-N138 PolarHBondContact N-O 3.31Å; D134-S140 PolarHBondContact OD1-OG 2.86Å
135K88.4Confident91.7Very high118 Ų11869.6 Ų69.651%0.51333%0.329SS..THydrogen-bonded Turntrans-57.3-29.5176.7-58.1-170.5-172.4-155.40113.5Y61 S62 G137 D159Y61-K135 CarbonylContact C-O 3.58Å; Y61-K135 WeakPolarHBondContact CA-O 3.42Å; S62-K135 PolarHBondContact N-O 3.33Å; K135-G137 VanDerWaalsContact C-N 3.25Å; K135-G137 PolarHBondContact O-N 3.03Å; K135-D159 WeakPolarHBondContact CE-OD1 3.47Å; K135-D159 IonicContact NZ-OD1 3.08Å; K135-D159 PolarHBondContact NZ-OD1 2.84Å
136M87.1Confident92Very high155 Ų15569.3 Ų69.376%0.76433%0.327SS*.THydrogen-bonded Turntrans-79.4-7.2176.7-60.4-58.4132.500113.2D134D134-M136 PolarHBondContact O-N 3.08Å; D134-M136 VanDerWaalsContact O-N 3.12Å
137G86.9Confident92.2Very high22 Ų2268.8 Ų68.823%0.22732%0.324CS..SBendtrans881.3-177.700000114.5D134 K135D134-G137 WeakPolarHBondContact O-CA 3.48Å; D134-G137 PolarHBondContact O-N 3.45Å; K135-G137 VanDerWaalsContact C-N 3.25Å; K135-G137 PolarHBondContact O-N 3.03Å
138N92.2Very high92.3Very high108 Ų10862.4 Ų62.458%0.57830%0.296SS*.  trans-73146.8174.5-66.8-25.3000110.7D134D134-N138 PolarHBondContact N-O 3.31Å
139F93Very high92.4Very high118 Ų11862.5 Ų62.552%0.51830%0.302SS..EExtended strand (participates in β ladder)trans-96.5115.8175.4-67.5-79.1000110.1Y56 F132 Q133Y56-F139 HydrophobicContact CD1-CE1 4.03Å; Y56-F139 HydrophobicContact CD2-CE1 4.11Å; Y56-F139 AromaticContact CG-CE1 3.81Å; Y56-F139 HydrophobicContact CG-CE1 3.81Å; F132-F139 CarbonylContact O-C 3.51Å; F132-F139 VanDerWaalsContact O-CA 3.26Å; F132-F139 WeakPolarHBondContact O-CA 3.34Å; Q133-F139 HydrophobicContact CB-CD1 4.19Å; Q133-F139 HydrophobicContact CB-CE1 3.99Å; Q133-F139 HydrophobicContact CG-CD1 4.47Å; Q133-F139 HydrophobicContact CG-CE1 4.11Å; Q133-F139 HydrophobicContact CG-CZ 4.48Å
140S93.1Very high92.3Very high37 Ų3757.6 Ų57.626%0.25929%0.285SS..EExtended strand (participates in β ladder)trans-98.6160168.654.30000109.7F132 D134F132-S140 WeakPolarHBondContact CD1-OG 3.37Å; F132-S140 PolarHBondContact N-O 3.37Å; F132-S140 PolarHBondContact O-N 3.09Å; F132-S140 PolarHBondContact O-OG 2.78Å; D134-S140 PolarHBondContact OD1-OG 2.86Å
141L93.8Very high92.2Very high78 Ų7857.4 Ų57.441%0.40829%0.285SS..EExtended strand (participates in β ladder)trans-109.7124177-171133.1000108.4R129 L130R129-L141 HydrophobicContact CB-CD1 4.11Å; R129-L141 HydrophobicContact CB-CD2 4Å; R129-L141 HydrophobicContact CB-CG 4.19Å; R129-L141 HydrophobicContact CG-CD2 3.94Å; R129-L141 VanDerWaalsContact CZ-CD1 3.45Å; R129-L141 VanDerWaalsContact NE-CD1 3.34Å; R129-L141 VanDerWaalsContact NH2-CD1 3.27Å; L130-L141 WeakPolarHBondContact O-CA 3.22Å
142I93.9Very high92.1Very high25 Ų2553 Ų5313%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-125.5160.2-177.7-57.3-174.5000107.4R129 L130 F132 D146R129-I142 CarbonylContact C-O 3.57Å; L130-I142 WeakPolarHBondContact CA-O 3.43Å; L130-I142 PolarHBondContact N-O 3.42Å; L130-I142 PolarHBondContact O-N 2.74Å; L130-I142 VanDerWaalsContact O-O 3.12Å; F132-I142 HydrophobicContact CB-CB 4.43Å; F132-I142 HydrophobicContact CB-CD1 3.37Å; F132-I142 HydrophobicContact CB-CG1 3.76Å; F132-I142 HydrophobicContact CD1-CD1 3.83Å; F132-I142 HydrophobicContact CD2-CD1 3.92Å; F132-I142 HydrophobicContact CG-CD1 3.44Å; F132-I142 VanDerWaalsContact CG-CD1 3.44Å; F132-I142 HydrophobicContact CG-CG1 4.37Å; I142-D146 HydrophobicContact CG2-CB 3.62Å
143Y94.2Very high91.8Very high101 Ų10156.3 Ų56.340%0.39629%0.289SS..EExtended strand (participates in β ladder)trans-96.8165.6172.9-61.8-91.7000111.7F127 R129 D145 D146 F147F127-Y143 WeakPolarHBondContact O-CD1 3.23Å; R129-Y143 HydrophobicContact CG-CD1 4.02Å; R129-Y143 HydrophobicContact CG-CE1 3.62Å; Y143-D145 WeakPolarHBondContact CB-OD1 3.38Å; Y143-D146 WeakPolarHBondContact CD2-OD2 3.29Å; Y143-F147 PolarHBondContact O-N 3.25Å; Y143-F147 VanDerWaalsContact O-N 3.13Å
144M91.5Very high91.7Very high0 Ų060 Ų600%031%0.307CS..Hα-helixtrans-70.9-47.3-178.3176.171.274.600110.7K97 R100 A101 D126 R128 L130 D146 F147 I148K97-M144 HydrophobicContact CB-CE 4.15Å; K97-M144 WeakPolarHBondContact O-CE 3.47Å; R100-M144 HydrophobicContact CB-CE 4.28Å; R100-M144 HydrophobicContact CG-CE 4.2Å; A101-M144 HydrophobicContact CB-CE 3.99Å; A101-M144 HydrophobicContact CB-SD 4.08Å; D126-M144 HydrophobicContact CB-CB 4.17Å; D126-M144 HydrophobicContact CB-CG 3.91Å; D126-M144 WeakPolarHBondContact O-CB 3.45Å; R128-M144 PolarHBondContact O-N 3.42Å; L130-M144 HydrophobicContact CD1-CB 4.23Å; L130-M144 HydrophobicContact CD1-CE 3.86Å; L130-M144 HydrophobicContact CD1-SD 3.85Å; L130-M144 HydrophobicContact CD2-CE 3.97Å; L130-M144 HydrophobicContact CG-CE 4.31Å; M144-D146 VanDerWaalsContact C-N 3.33Å; M144-D146 PolarHBondContact O-N 3.02Å; M144-F147 WeakPolarHBondContact O-CA 3.39Å; M144-F147 WeakPolarHBondContact O-CB 3.31Å; M144-F147 PolarHBondContact O-N 2.91Å; M144-I148 HydrophobicContact CG-CG1 4.42Å; M144-I148 WeakPolarHBondContact O-CG1 3.38Å; M144-I148 PolarHBondContact O-N 2.84Å; M144-I148 HydrophobicContact SD-CD1 4.42Å; M144-I148 HydrophobicContact SD-CG1 4.48Å
145D93.1Very high91.7Very high31 Ų3163.8 Ų63.817%0.16632%0.322CS..Hα-helixtrans-50.7-47.2169.858.8-23.6000112.9Y124 D126 F127 Y143 F147 I148 D149Y124-D145 HydrophobicContact CD1-CB 4.18Å; D126-D145 PolarHBondContact O-N 2.9Å; F127-D145 VanDerWaalsContact CD1-OD2 3.3Å; F127-D145 WeakPolarHBondContact CD1-OD2 3.01Å; F127-D145 WeakPolarHBondContact CE1-OD2 3.44Å; Y143-D145 WeakPolarHBondContact CB-OD1 3.38Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.08Å; D145-I148 PolarHBondContact O-N 3.4Å; D145-D149 WeakPolarHBondContact O-CB 3.49Å; D145-D149 PolarHBondContact O-N 3.29Å
146D93.4Very high91.9Very high71 Ų7163.1 Ų63.138%0.3832%0.317SS..Hα-helixtrans-58-42.5174.3-74.8-20.6000111.8I142 Y143 M144 D149 Q150I142-D146 HydrophobicContact CG2-CB 3.62Å; Y143-D146 WeakPolarHBondContact CD2-OD2 3.29Å; M144-D146 VanDerWaalsContact C-N 3.33Å; M144-D146 PolarHBondContact O-N 3.02Å; D146-D149 PolarHBondContact O-N 3.04Å; D146-Q150 VanDerWaalsContact O-CG 3.29Å; D146-Q150 WeakPolarHBondContact O-CG 3.48Å; D146-Q150 PolarHBondContact O-N 3.29Å
147F93.6Very high92Very high2 Ų255.9 Ų55.91%0.00928%0.281CS..Hα-helixtrans-66.8-40.1178.2179.8-109.9000111.5V57 F70 A101 L130 Y143 M144 D145 D149 Q150 L151 V157V57-F147 HydrophobicContact CG1-CD2 4.34Å; V57-F147 HydrophobicContact CG1-CE2 3.68Å; V57-F147 HydrophobicContact CG1-CZ 3.81Å; F70-F147 HydrophobicContact CZ-CZ 4.21Å; A101-F147 HydrophobicContact CB-CD1 4.12Å; A101-F147 HydrophobicContact CB-CE1 3.88Å; L130-F147 HydrophobicContact CD1-CB 4.22Å; Y143-F147 PolarHBondContact O-N 3.25Å; Y143-F147 VanDerWaalsContact O-N 3.13Å; M144-F147 WeakPolarHBondContact O-CA 3.39Å; M144-F147 WeakPolarHBondContact O-CB 3.31Å; M144-F147 PolarHBondContact O-N 2.91Å; D145-F147 VanDerWaalsContact C-N 3.29Å; D145-F147 PolarHBondContact O-N 3.08Å; F147-D149 VanDerWaalsContact C-N 3.35Å; F147-Q150 PolarHBondContact O-N 3.35Å; F147-L151 HydrophobicContact CD1-CD1 4.23Å; F147-L151 HydrophobicContact CE1-CD1 3.79Å; F147-L151 HydrophobicContact CE1-CG 4.35Å; F147-L151 HydrophobicContact CZ-CD1 4.2Å; F147-L151 HydrophobicContact CZ-CD2 4.29Å; F147-L151 HydrophobicContact CZ-CG 4.39Å; F147-L151 WeakPolarHBondContact O-CG 3.44Å; F147-L151 PolarHBondContact O-N 2.61Å; F147-L151 VanDerWaalsContact O-N 3.13Å; F147-V157 HydrophobicContact CE2-CG1 3.83Å; F147-V157 HydrophobicContact CZ-CG1 4.49Å
148I93.4Very high92.1Very high0 Ų055.2 Ų55.20%027%0.273CS..Hα-helixtrans-66.7-38.8176.1-62.6-50.3000111.3A104 L120 L123 Y124 M144 D145 L151 L152A104-I148 HydrophobicContact CB-CD1 3.61Å; L120-I148 HydrophobicContact CB-CG2 3.94Å; L120-I148 HydrophobicContact CD2-CD1 4.33Å; L120-I148 WeakPolarHBondContact O-CG2 3.28Å; L123-I148 HydrophobicContact CB-CD1 4.28Å; L123-I148 HydrophobicContact CB-CG1 3.82Å; L123-I148 HydrophobicContact CD1-CD1 3.81Å; L123-I148 HydrophobicContact CD1-CG1 4.28Å; Y124-I148 HydrophobicContact CE2-CG2 4.29Å; M144-I148 HydrophobicContact CG-CG1 4.42Å; M144-I148 WeakPolarHBondContact O-CG1 3.38Å; M144-I148 PolarHBondContact O-N 2.84Å; M144-I148 HydrophobicContact SD-CD1 4.42Å; M144-I148 HydrophobicContact SD-CG1 4.48Å; D145-I148 PolarHBondContact O-N 3.4Å; I148-L151 HydrophobicContact CD1-CD1 4.14Å; I148-L151 WeakPolarHBondContact O-CB 3.3Å; I148-L151 PolarHBondContact O-N 2.96Å; I148-L151 VanDerWaalsContact O-N 3.12Å; I148-L152 HydrophobicContact CG2-CD1 4.29Å; I148-L152 PolarHBondContact O-N 3.19Å; I148-L152 VanDerWaalsContact O-N 3.12Å
149D92.8Very high91.8Very high72 Ų7251 Ų5139%0.38525%0.251SS..Hα-helixtrans-61.6-44.9175.6-163.462.5000111.8Y124 D145 D146 F147 L151 L152 T153Y124-D149 HydrophobicContact CE1-CB 3.92Å; Y124-D149 WeakPolarHBondContact OH-CA 3.26Å; Y124-D149 PolarHBondContact OH-OD1 3.04Å; D145-D149 WeakPolarHBondContact O-CB 3.49Å; D145-D149 PolarHBondContact O-N 3.29Å; D146-D149 PolarHBondContact O-N 3.04Å; F147-D149 VanDerWaalsContact C-N 3.35Å; D149-L151 PolarHBondContact O-N 3.32Å; D149-L152 PolarHBondContact O-N 3.21Å; D149-L152 VanDerWaalsContact O-N 3.11Å; D149-T153 WeakPolarHBondContact O-CB 3.37Å; D149-T153 PolarHBondContact O-N 3.14Å; D149-T153 PolarHBondContact O-OG1 3.05Å
150Q92.6Very high91.7Very high44 Ų4445.5 Ų45.521%0.20623%0.226CC..Hα-helixtrans-57.2-39.5173.4-71.9169.922.600111.5D146 F147 L152 E154 V157D146-Q150 VanDerWaalsContact O-CG 3.29Å; D146-Q150 WeakPolarHBondContact O-CG 3.48Å; D146-Q150 PolarHBondContact O-N 3.29Å; F147-Q150 PolarHBondContact O-N 3.35Å; Q150-L152 VanDerWaalsContact C-N 3.35Å; Q150-L152 PolarHBondContact O-N 2.95Å; Q150-E154 HydrophobicContact CB-CG 4.36Å; Q150-E154 VanDerWaalsContact O-CB 3.22Å; Q150-E154 WeakPolarHBondContact O-CB 3.35Å; Q150-E154 PolarHBondContact O-N 3.17Å; Q150-V157 HydrophobicContact CB-CG2 4.14Å; Q150-V157 WeakPolarHBondContact O-CG2 3.27Å
151L92.5Very high91.6Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-65.6-35.1177.7-67.7179.9000113.6A104 F105 R108 F147 I148 D149 V157 L162A104-L151 HydrophobicContact CB-CD1 4.37Å; F105-L151 HydrophobicContact CD2-CD1 4.5Å; F105-L151 HydrophobicContact CD2-CD2 3.45Å; F105-L151 VanDerWaalsContact CD2-CD2 3.45Å; F105-L151 HydrophobicContact CE2-CD2 3.89Å; R108-L151 WeakPolarHBondContact CD-O 3.15Å; R108-L151 HydrophobicContact CG-CB 4.19Å; R108-L151 HydrophobicContact CG-CD2 4.42Å; R108-L151 PolarHBondContact NE-O 2.97Å; F147-L151 HydrophobicContact CD1-CD1 4.23Å; F147-L151 HydrophobicContact CE1-CD1 3.79Å; F147-L151 HydrophobicContact CE1-CG 4.35Å; F147-L151 HydrophobicContact CZ-CD1 4.2Å; F147-L151 HydrophobicContact CZ-CD2 4.29Å; F147-L151 HydrophobicContact CZ-CG 4.39Å; F147-L151 WeakPolarHBondContact O-CG 3.44Å; F147-L151 PolarHBondContact O-N 2.61Å; F147-L151 VanDerWaalsContact O-N 3.13Å; I148-L151 HydrophobicContact CD1-CD1 4.14Å; I148-L151 WeakPolarHBondContact O-CB 3.3Å; I148-L151 PolarHBondContact O-N 2.96Å; I148-L151 VanDerWaalsContact O-N 3.12Å; D149-L151 PolarHBondContact O-N 3.32Å; L151-V157 HydrophobicContact CD2-CB 3.85Å; L151-V157 HydrophobicContact CD2-CG1 3.68Å; L151-V157 HydrophobicContact CD2-CG2 4.05Å; L151-L162 HydrophobicContact CD2-CD1 4.24Å; L151-L162 WeakPolarHBondContact O-CD1 3.32Å
152L90.8Very high91.4Very high24 Ų2444.6 Ų44.613%0.12622%0.218CC..Hα-helixtrans-83.9-35.1-178-70.3174.4000112.4I116 Y117 L120 Y124 I148 D149 Q150 L165I116-L152 HydrophobicContact CG2-CD2 3.7Å; Y117-L152 HydrophobicContact CD1-CD2 4.14Å; Y117-L152 HydrophobicContact CE1-CD2 4Å; L120-L152 HydrophobicContact CB-CD1 4.38Å; L120-L152 HydrophobicContact CB-CD2 4.5Å; L120-L152 HydrophobicContact CD1-CD2 3.87Å; L120-L152 HydrophobicContact CD1-CG 4.22Å; Y124-L152 HydrophobicContact CE2-CD1 3.77Å; I148-L152 HydrophobicContact CG2-CD1 4.29Å; I148-L152 PolarHBondContact O-N 3.19Å; I148-L152 VanDerWaalsContact O-N 3.12Å; D149-L152 PolarHBondContact O-N 3.21Å; D149-L152 VanDerWaalsContact O-N 3.11Å; Q150-L152 VanDerWaalsContact C-N 3.35Å; Q150-L152 PolarHBondContact O-N 2.95Å; L152-L165 HydrophobicContact CD2-CD1 4.08Å
153T89.2Confident91.2Very high103 Ų10344.5 Ų44.563%0.63222%0.219SC*.Hα-helixtrans-97.4-39.4-171.5-560000113.1D149D149-T153 WeakPolarHBondContact O-CB 3.37Å; D149-T153 PolarHBondContact O-N 3.14Å; D149-T153 PolarHBondContact O-OG1 3.05Å
154E90.7Very high90.9Very high90 Ų9050.2 Ų50.242%0.42124%0.24SC..  trans-85.3150.2-173.3-58.2-174.3167.100113Q150 V157Q150-E154 HydrophobicContact CB-CG 4.36Å; Q150-E154 VanDerWaalsContact O-CB 3.22Å; Q150-E154 WeakPolarHBondContact O-CB 3.35Å; Q150-E154 PolarHBondContact O-N 3.17Å; E154-V157 HydrophobicContact CB-CG2 4.08Å
155E90.4Very high90.7Very high141 Ų14151.9 Ų51.966%0.65925%0.248SC*.SBendtrans-80.5-21.7176-60.4-170.3158.300112.8L162E155-L162 PolarHBondContact O-N 3.07Å
156R91.8Very high90.3Very high103 Ų10354.7 Ų54.739%0.38926%0.261SS..EExtended strand (participates in β ladder)trans-140.6114.4-175.9179.7-176.9-75.5-113.20111.1E22 V160 I161E22-R156 IonicContact OE1-CZ 3.5Å; E22-R156 IonicContact OE1-NH1 3.5Å; E22-R156 PolarHBondContact OE1-NH1 2.85Å; E22-R156 VanDerWaalsContact OE1-NH1 3.08Å; E22-R156 IonicContact OE1-NH2 2.68Å; E22-R156 PolarHBondContact OE1-NH2 3.46Å; R156-V160 VanDerWaalsContact CA-O 3.3Å; R156-V160 WeakPolarHBondContact CA-O 3.46Å; R156-I161 VanDerWaalsContact NH2-CG1 3.3Å
157V90Very high90Very high3 Ų358.3 Ų58.32%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-123.8138.1175.1-179.50000109.8F105 F147 Q150 L151 E154 D159 V160 L162F105-V157 HydrophobicContact CE2-CB 4.38Å; F105-V157 HydrophobicContact CE2-CG1 4.4Å; F147-V157 HydrophobicContact CE2-CG1 3.83Å; F147-V157 HydrophobicContact CZ-CG1 4.49Å; Q150-V157 HydrophobicContact CB-CG2 4.14Å; Q150-V157 WeakPolarHBondContact O-CG2 3.27Å; L151-V157 HydrophobicContact CD2-CB 3.85Å; L151-V157 HydrophobicContact CD2-CG1 3.68Å; L151-V157 HydrophobicContact CD2-CG2 4.05Å; E154-V157 HydrophobicContact CB-CG2 4.08Å; V157-D159 PolarHBondContact O-N 3.03Å; V157-V160 PolarHBondContact N-O 3.45Å; V157-V160 VanDerWaalsContact N-O 3.14Å; V157-V160 WeakPolarHBondContact O-CB 3.44Å; V157-V160 PolarHBondContact O-N 3.39Å; V157-L162 HydrophobicContact CB-CD1 4.18Å; V157-L162 HydrophobicContact CG2-CD1 3.86Å
158C87.2Confident89.5Confident8 Ų860.2 Ų60.25%0.05428%0.28CS..THydrogen-bonded Turntrans51.939-178-66.10000114G59 F105 V160G59-C158 WeakPolarHBondContact CA-O 3.29Å; F105-C158 HydrophobicContact CZ-CB 4.1Å; C158-V160 PolarHBondContact O-N 3.07Å
159D86.8Confident89Confident21 Ų2166.5 Ų66.511%0.11231%0.31CS..THydrogen-bonded Turntrans61.514.1-176.2-59.5-66.9000115.4V60 K135 V157V60-D159 HydrophobicContact CG2-CB 3.89Å; V60-D159 WeakPolarHBondContact CG2-OD2 3.49Å; V60-D159 PolarHBondContact N-OD2 3.48Å; K135-D159 WeakPolarHBondContact CE-OD1 3.47Å; K135-D159 IonicContact NZ-OD1 3.08Å; K135-D159 PolarHBondContact NZ-OD1 2.84Å; V157-D159 PolarHBondContact O-N 3.03Å
160V90.4Very high88.7Confident1 Ų165.2 Ų65.21%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-102.7131173.3-172.50000109.1L21 L71 F105 L109 R156 V157 C158 L162L21-V160 HydrophobicContact CD2-CB 4.05Å; L21-V160 HydrophobicContact CD2-CG1 3.55Å; L21-V160 HydrophobicContact CD2-CG2 3.31Å; L71-V160 HydrophobicContact CD1-CG2 3.67Å; F105-V160 HydrophobicContact CE1-CG2 4.22Å; F105-V160 HydrophobicContact CZ-CB 3.93Å; F105-V160 HydrophobicContact CZ-CG2 3.71Å; L109-V160 HydrophobicContact CD2-CG1 3.83Å; R156-V160 VanDerWaalsContact CA-O 3.3Å; R156-V160 WeakPolarHBondContact CA-O 3.46Å; V157-V160 PolarHBondContact N-O 3.45Å; V157-V160 VanDerWaalsContact N-O 3.14Å; V157-V160 WeakPolarHBondContact O-CB 3.44Å; V157-V160 PolarHBondContact O-N 3.39Å; C158-V160 PolarHBondContact O-N 3.07Å; V160-L162 PolarHBondContact O-N 3.4Å
161I91.5Very high88.3Confident88 Ų8864 Ų6445%0.45130%0.299SS..EExtended strand (participates in β ladder)trans-76.2118.7171.4-57.2173.4000107.1R156R156-I161 VanDerWaalsContact NH2-CG1 3.3Å
162L90.6Very high87.9Confident9 Ų967 Ų675%0.04731%0.313CS..PPolyproline II helixtrans-79.1140.6179.9-58.5-177.3000109.9F105 R108 L109 L151 E155 V157 V160F105-L162 HydrophobicContact CE2-CD2 4Å; R108-L162 HydrophobicContact CG-CD1 4.06Å; R108-L162 HydrophobicContact CG-CD2 4.21Å; L109-L162 HydrophobicContact CD2-CD2 3.6Å; L109-L162 HydrophobicContact CG-CD2 4.41Å; L151-L162 HydrophobicContact CD2-CD1 4.24Å; L151-L162 WeakPolarHBondContact O-CD1 3.32Å; E155-L162 PolarHBondContact O-N 3.07Å; V157-L162 HydrophobicContact CB-CD1 4.18Å; V157-L162 HydrophobicContact CG2-CD1 3.86Å; V160-L162 PolarHBondContact O-N 3.4Å
163P89.1Confident87.6Confident22 Ų2273.2 Ų73.214%0.14334%0.341CS..PPolyproline II helixtrans-55.8142.3169.6-24.334.1000110.5L20 R108 L165L20-P163 HydrophobicContact CD2-CG 4.23Å; R108-P163 VanDerWaalsContact CZ-O 3.32Å; R108-P163 PolarHBondContact NH1-O 3.33Å; R108-P163 PolarHBondContact NH2-O 3.44Å; P163-L165 PolarHBondContact O-N 2.87Å
164R86.8Confident87.3Confident222 Ų22274.2 Ų74.284%0.83834%0.342SS*.PPolyproline II helixtrans-59126179-68.7-176178.9-87.5-4.1109.6
165L87.4Confident86.2Confident34 Ų3477.2 Ų77.218%0.17836%0.361CS..PPolyproline II helixtrans-90.7144.9170.1-75.7173.6000110.3I116 L152 P163I116-L165 HydrophobicContact CD1-CD2 3.64Å; I116-L165 HydrophobicContact CG2-CD1 4.25Å; I116-L165 HydrophobicContact CG2-CD2 4.38Å; L152-L165 HydrophobicContact CD2-CD1 4.08Å; P163-L165 PolarHBondContact O-N 2.87Å
166Q85.8Confident85.2Confident90 Ų9071.9 Ų71.942%0.42134%0.344SS..PPolyproline II helixtrans-69.6132.2165-165.964.69.400108.7Y117 V170 L171Y117-Q166 PolarHBondContact OH-O 3.01Å; Q166-V170 HydrophobicContact CG-CB 4.04Å; Q166-V170 HydrophobicContact CG-CG1 4.27Å; Q166-V170 VanDerWaalsContact NE2-CB 3.34Å; Q166-L171 HydrophobicContact CB-CD1 4.38Å; Q166-L171 HydrophobicContact CB-CD2 4.16Å; Q166-L171 HydrophobicContact CB-CG 4.16Å; Q166-L171 HydrophobicContact CG-CD2 4.05Å; Q166-L171 HydrophobicContact CG-CG 4.08Å
167K86Confident84.1Confident148 Ų14867.9 Ų67.964%0.64333%0.33SS*.PPolyproline II helixtrans-58.2145.1174.9-69.3-172.8176.1-172.10110.2E169 V170 L171K167-E169 VanDerWaalsContact C-N 3.32Å; K167-E169 PolarHBondContact O-N 3.41Å; K167-V170 PolarHBondContact O-N 3.08Å; K167-L171 PolarHBondContact O-N 3.22Å
168R83Confident83.2Confident42 Ų4275.1 Ų75.116%0.15836%0.364CS..Hα-helixtrans-55.6-45.1-179.1-169.6-176.8-179.790.23.4112.6Y117 E121 V170 L171 E172 E178Y117-R168 HydrophobicContact CE1-CB 4.42Å; E121-R168 IonicContact OE1-CZ 2.82Å; E121-R168 IonicContact OE1-NH1 2.87Å; E121-R168 PolarHBondContact OE1-NH1 2.83Å; E121-R168 IonicContact OE2-CZ 2.83Å; E121-R168 IonicContact OE2-NH1 2.73Å; E121-R168 PolarHBondContact OE2-NH1 3.27Å; E121-R168 IonicContact OE2-NH2 3.91Å; R168-V170 PolarHBondContact O-N 2.96Å; R168-V170 VanDerWaalsContact O-N 3.15Å; R168-L171 WeakPolarHBondContact O-CA 3.3Å; R168-L171 WeakPolarHBondContact O-CB 3.4Å; R168-L171 PolarHBondContact O-N 3.13Å; R168-E172 WeakPolarHBondContact CD-OE1 3.3Å; R168-E172 HydrophobicContact CG-CG 4.18Å; R168-E172 WeakPolarHBondContact CG-OE1 3.41Å; R168-E172 IonicContact CZ-OE1 2.69Å; R168-E172 IonicContact NE-OE1 3.91Å; R168-E172 PolarHBondContact NE-OE1 2.95Å; R168-E172 IonicContact NH2-OE1 3.75Å; R168-E172 PolarHBondContact O-N 3.33Å; R168-E178 PolarHBondContact NH2-O 3.19Å
169E83.8Confident82.4Confident132 Ų13279 Ų7962%0.61739%0.39SS*.Hα-helixtrans-49-44.4178.3-64.5171.7174.300112.1K167 L171 E172 E173K167-E169 VanDerWaalsContact C-N 3.32Å; K167-E169 PolarHBondContact O-N 3.41Å; E169-L171 PolarHBondContact O-N 3.33Å; E169-E172 PolarHBondContact O-N 2.96Å; E169-E173 WeakPolarHBondContact O-CG 3.38Å; E169-E173 PolarHBondContact O-N 2.92Å
170V86.5Confident81.6Confident45 Ų4581.9 Ų81.927%0.27340%0.399SS..Hα-helixtrans-73.4-29.8-179.3-172.40000112Q166 K167 R168 L174Q166-V170 HydrophobicContact CG-CB 4.04Å; Q166-V170 HydrophobicContact CG-CG1 4.27Å; Q166-V170 VanDerWaalsContact NE2-CB 3.34Å; K167-V170 PolarHBondContact O-N 3.08Å; R168-V170 PolarHBondContact O-N 2.96Å; R168-V170 VanDerWaalsContact O-N 3.15Å; V170-L174 HydrophobicContact CG1-CD1 4.05Å; V170-L174 WeakPolarHBondContact O-CB 3.47Å; V170-L174 WeakPolarHBondContact O-CD1 3.41Å; V170-L174 WeakPolarHBondContact O-CG 3.5Å; V170-L174 PolarHBondContact O-N 2.75Å; V170-L174 VanDerWaalsContact O-N 3.13Å
171L84.4Confident80.3Confident17 Ų1789.2 Ų89.29%0.08943%0.433CS..Hα-helixtrans-75.6-31.8175.8-67177000112.4Y117 Q166 K167 R168 E169 N175 G176 L177Y117-L171 HydrophobicContact CD2-CD1 3.61Å; Y117-L171 HydrophobicContact CE2-CD1 3.41Å; Y117-L171 VanDerWaalsContact CE2-CD1 3.41Å; Q166-L171 HydrophobicContact CB-CD1 4.38Å; Q166-L171 HydrophobicContact CB-CD2 4.16Å; Q166-L171 HydrophobicContact CB-CG 4.16Å; Q166-L171 HydrophobicContact CG-CD2 4.05Å; Q166-L171 HydrophobicContact CG-CG 4.08Å; K167-L171 PolarHBondContact O-N 3.22Å; R168-L171 WeakPolarHBondContact O-CA 3.3Å; R168-L171 WeakPolarHBondContact O-CB 3.4Å; R168-L171 PolarHBondContact O-N 3.13Å; E169-L171 PolarHBondContact O-N 3.33Å; L171-N175 PolarHBondContact O-N 3.34Å; L171-G176 PolarHBondContact O-N 3.28Å; L171-L177 HydrophobicContact CB-CD1 4.06Å; L171-L177 HydrophobicContact CB-CG 4.48Å; L171-L177 HydrophobicContact CD1-CD1 3.74Å; L171-L177 PolarHBondContact O-N 3.18Å
172E84.2Confident79.2Confident65 Ų6586.4 Ų86.430%0.30442%0.421SS..Hα-helixtrans-66.6-44.7172.1-69.6177.2176.400110.3R168 E169 L174 N175 P179R168-E172 WeakPolarHBondContact CD-OE1 3.3Å; R168-E172 HydrophobicContact CG-CG 4.18Å; R168-E172 WeakPolarHBondContact CG-OE1 3.41Å; R168-E172 IonicContact CZ-OE1 2.69Å; R168-E172 IonicContact NE-OE1 3.91Å; R168-E172 PolarHBondContact NE-OE1 2.95Å; R168-E172 IonicContact NH2-OE1 3.75Å; R168-E172 PolarHBondContact O-N 3.33Å; E169-E172 PolarHBondContact O-N 2.96Å; E172-L174 VanDerWaalsContact C-N 3.3Å; E172-L174 PolarHBondContact O-N 3.4Å; E172-N175 PolarHBondContact O-N 3.23Å; E172-P179 WeakPolarHBondContact OE1-CA 3.24Å
173E84.6Confident77.9Confident153 Ų15390.3 Ų90.372%0.71544%0.442SS*.Hα-helixtrans-60.3-37.5174.6-74.3177.5-179.100113.1E169 N175E169-E173 WeakPolarHBondContact O-CG 3.38Å; E169-E173 PolarHBondContact O-N 2.92Å; E173-N175 PolarHBondContact O-N 3.3Å
174L83.2Confident76.6Confident125 Ų12595.3 Ų95.365%0.65447%0.466SS*.THydrogen-bonded Turntrans-77.93.4177.9-69.7169.3000113.3V170 E172 G176V170-L174 HydrophobicContact CG1-CD1 4.05Å; V170-L174 WeakPolarHBondContact O-CB 3.47Å; V170-L174 WeakPolarHBondContact O-CD1 3.41Å; V170-L174 WeakPolarHBondContact O-CG 3.5Å; V170-L174 PolarHBondContact O-N 2.75Å; V170-L174 VanDerWaalsContact O-N 3.13Å; E172-L174 VanDerWaalsContact C-N 3.3Å; E172-L174 PolarHBondContact O-N 3.4Å; L174-G176 PolarHBondContact O-N 2.99Å
175N66Low75.4Confident152 Ų15288.2 Ų88.281%0.81345%0.445SS*.THydrogen-bonded Turntrans54.526.8-172.2-59.3-62.6000113.6L171 E172 E173L171-N175 PolarHBondContact O-N 3.34Å; E172-N175 PolarHBondContact O-N 3.23Å; E173-N175 PolarHBondContact O-N 3.3Å
176G69.5Low74.1Confident30 Ų3091.6 Ų91.631%0.30946%0.46SS..SBendtrans-81.8-24.4177.200000113L171 L174L171-G176 PolarHBondContact O-N 3.28Å; L174-G176 PolarHBondContact O-N 2.99Å
177L69.3Low73Confident18 Ų1891.9 Ų91.99%0.09446%0.464CS..SBendtrans-143.1143.8-179.9-71.9170.9000110.5V114 Y117 K118 L171V114-L177 HydrophobicContact CG1-CD2 3.75Å; V114-L177 HydrophobicContact CG1-CG 4.24Å; Y117-L177 HydrophobicContact CD2-CD1 3.47Å; Y117-L177 VanDerWaalsContact CD2-CD1 3.47Å; Y117-L177 HydrophobicContact CE2-CD1 4.44Å; Y117-L177 HydrophobicContact CG-CD1 3.83Å; K118-L177 HydrophobicContact CD-CD2 4.48Å; K118-L177 HydrophobicContact CG-CD2 3.93Å; L171-L177 HydrophobicContact CB-CD1 4.06Å; L171-L177 HydrophobicContact CB-CG 4.48Å; L171-L177 HydrophobicContact CD1-CD1 3.74Å; L171-L177 PolarHBondContact O-N 3.18Å
178E70.6Confident71.9Confident155 Ų15589 Ų8972%0.72446%0.456SS*.PPolyproline II helixtrans-73.6155.3168.7-70.9177.4-17800110.3R168R168-E178 PolarHBondContact NH2-O 3.19Å
179P70.4Confident71.1Confident91 Ų9193 Ų9359%0.59148%0.476SS*.PPolyproline II helixtrans-54.3143.4174.223.3-34000111.1E172 Q181E172-P179 WeakPolarHBondContact OE1-CA 3.24Å; P179-Q181 PolarHBondContact O-N 3.47Å; P179-Q181 VanDerWaalsContact O-N 3.14Å
180R71.5Confident70.5Confident81 Ų8191.7 Ų91.731%0.30647%0.473SS..PPolyproline II helixtrans-64.4118.9-176.2-177.8179.2162.5154.2-1.8110E121 S182E121-R180 IonicContact OE1-NH1 3.86Å; R180-S182 PolarHBondContact NE-OG 3.34Å; R180-S182 VanDerWaalsContact NE-OG 3.09Å; R180-S182 PolarHBondContact O-N 3Å
181Q63Low69.7Low154 Ų15494.6 Ų94.672%0.7249%0.487SS*.  trans-88.7101.4165-67177.4-6.500108.2P179P179-Q181 PolarHBondContact O-N 3.47Å; P179-Q181 VanDerWaalsContact O-N 3.14Å
182S68.6Low69.2Low30 Ų3098.4 Ų98.421%0.2150%0.504CS..  trans-79.8138.2168.7-64.60000108.4R180 L184 N185R180-S182 PolarHBondContact NE-OG 3.34Å; R180-S182 VanDerWaalsContact NE-OG 3.09Å; R180-S182 PolarHBondContact O-N 3Å; S182-L184 PolarHBondContact O-N 2.87Å; S182-N185 WeakPolarHBondContact O-CA 3.33Å; S182-N185 VanDerWaalsContact O-CB 3.31Å; S182-N185 WeakPolarHBondContact O-CB 3.43Å; S182-N185 PolarHBondContact O-N 2.83Å
183L63.1Low68.8Low91 Ų91102.5 Ų102.548%0.47652%0.518SS..Hα-helixtrans-58.1-31.5175.1-65.8-175.8000112.3N125 N185 E186 D187N125-L183 HydrophobicContact CB-CD1 4.23Å; N125-L183 WeakPolarHBondContact ND2-CD1 3.4Å; N125-L183 VanDerWaalsContact OD1-CD1 3.24Å; N125-L183 WeakPolarHBondContact OD1-CD1 3.49Å; L183-N185 PolarHBondContact O-N 3.47Å; L183-E186 PolarHBondContact O-N 3.12Å; L183-D187 PolarHBondContact O-N 2.98Å
184L61.9Low68.4Low126 Ų12699 Ų9966%0.6651%0.507SS*.Hα-helixtrans-65.5-23.9173.2-67.2173.6000113.3S182 L188S182-L184 PolarHBondContact O-N 2.87Å; L184-L188 WeakPolarHBondContact O-CB 3.44Å; L184-L188 PolarHBondContact O-N 2.77Å
185N61Low68Low73 Ų7399.5 Ų99.539%0.3951%0.506SS..Hα-helixtrans-72.5-37.2176-73.13.7000110.6S182 L183 L188 E189S182-N185 WeakPolarHBondContact O-CA 3.33Å; S182-N185 VanDerWaalsContact O-CB 3.31Å; S182-N185 WeakPolarHBondContact O-CB 3.43Å; S182-N185 PolarHBondContact O-N 2.83Å; L183-N185 PolarHBondContact O-N 3.47Å; N185-L188 PolarHBondContact O-N 2.98Å; N185-E189 VanDerWaalsContact O-CB 3.29Å; N185-E189 WeakPolarHBondContact O-CB 3.44Å; N185-E189 VanDerWaalsContact O-CG 3.24Å; N185-E189 WeakPolarHBondContact O-CG 3.15Å; N185-E189 PolarHBondContact O-N 3.37Å
186E60.5Low68.5Low106 Ų10697.9 Ų97.950%0.49549%0.493SS..Hα-helixtrans-62-47.1172.8-65.1-177.3167.200110L183 L188 E189 D190L183-E186 PolarHBondContact O-N 3.12Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 3.2Å; E186-E189 PolarHBondContact O-N 2.7Å; E186-D190 WeakPolarHBondContact O-CB 3.3Å; E186-D190 PolarHBondContact O-N 3.16Å
187D62.7Low68.8Low95 Ų9599.6 Ų99.651%0.50850%0.495SS..Hα-helixtrans-62-37.3175.8-70.9-21.7000112.4L183 L191L183-D187 PolarHBondContact O-N 2.98Å; D187-L191 WeakPolarHBondContact O-CB 3.43Å; D187-L191 WeakPolarHBondContact O-CG 3.26Å; D187-L191 PolarHBondContact O-N 3.48Å
188L63Low69.2Low88 Ų88103.4 Ų103.446%0.46152%0.516SS..Hα-helixtrans-74.3-38.3179.9-165.776000111.8L184 N185 E186 D190 L191 Q192L184-L188 WeakPolarHBondContact O-CB 3.44Å; L184-L188 PolarHBondContact O-N 2.77Å; N185-L188 PolarHBondContact O-N 2.98Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 3.2Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-L191 PolarHBondContact O-N 3.48Å; L188-Q192 WeakPolarHBondContact O-CB 3.44Å; L188-Q192 VanDerWaalsContact O-CG 3.23Å; L188-Q192 WeakPolarHBondContact O-CG 2.78Å; L188-Q192 PolarHBondContact O-N 3.16Å
189E65.5Low69.5Low125 Ų12599.9 Ų99.958%0.58451%0.505SS*.Hα-helixtrans-64.2-41.5173-76.6174.5-161.900110.4N185 E186 Q192 Y193N185-E189 VanDerWaalsContact O-CB 3.29Å; N185-E189 WeakPolarHBondContact O-CB 3.44Å; N185-E189 VanDerWaalsContact O-CG 3.24Å; N185-E189 WeakPolarHBondContact O-CG 3.15Å; N185-E189 PolarHBondContact O-N 3.37Å; E186-E189 PolarHBondContact O-N 2.7Å; E189-Q192 PolarHBondContact O-N 3.31Å; E189-Y193 VanDerWaalsContact O-CB 3.23Å; E189-Y193 WeakPolarHBondContact O-CB 3.42Å; E189-Y193 PolarHBondContact O-N 3.11Å
190D70.8Confident69.7Low105 Ų105100.5 Ų100.556%0.56150%0.502SS*.Hα-helixtrans-62.5-43.1173.5-79.6-12.7000111.4E186 L188 Y193 V194E186-D190 WeakPolarHBondContact O-CB 3.3Å; E186-D190 PolarHBondContact O-N 3.16Å; L188-D190 VanDerWaalsContact C-N 3.34Å; D190-Y193 PolarHBondContact O-N 3Å; D190-V194 VanDerWaalsContact O-CG2 3.24Å; D190-V194 WeakPolarHBondContact O-CG2 3.12Å; D190-V194 PolarHBondContact O-N 3.17Å
191L70.9Confident69.8Low107 Ų107100.4 Ų100.456%0.5651%0.508SS*.Hα-helixtrans-64.8-43.2175.4-74.5169.8000112.2D187 L188 Y193 V194 E195D187-L191 WeakPolarHBondContact O-CB 3.43Å; D187-L191 WeakPolarHBondContact O-CG 3.26Å; D187-L191 PolarHBondContact O-N 3.48Å; L188-L191 PolarHBondContact O-N 3.48Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-V194 PolarHBondContact O-N 3.32Å; L191-E195 WeakPolarHBondContact O-CG 3.31Å; L191-E195 PolarHBondContact O-N 2.79Å
192Q73.7Confident70.2Confident97 Ų9799.6 Ų99.645%0.45350%0.504SS..Hα-helixtrans-64-40.3176-76.2174.111.300111.2L188 E189 V194 E195 E196L188-Q192 WeakPolarHBondContact O-CB 3.44Å; L188-Q192 VanDerWaalsContact O-CG 3.23Å; L188-Q192 WeakPolarHBondContact O-CG 2.78Å; L188-Q192 PolarHBondContact O-N 3.16Å; E189-Q192 PolarHBondContact O-N 3.31Å; Q192-V194 VanDerWaalsContact C-N 3.34Å; Q192-V194 PolarHBondContact O-N 3.28Å; Q192-E195 PolarHBondContact O-N 2.83Å; Q192-E196 WeakPolarHBondContact O-CB 3.45Å; Q192-E196 WeakPolarHBondContact O-CG 3.2Å; Q192-E196 PolarHBondContact O-N 3.12Å
193Y75.1Confident70.4Confident150 Ų150102.2 Ų102.259%0.58852%0.515SS*.Hα-helixtrans-64.6-39.7176.6-173-108.3000111.6E189 D190 L191 E196 L197E189-Y193 VanDerWaalsContact O-CB 3.23Å; E189-Y193 WeakPolarHBondContact O-CB 3.42Å; E189-Y193 PolarHBondContact O-N 3.11Å; D190-Y193 PolarHBondContact O-N 3Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-E196 PolarHBondContact O-N 2.96Å; Y193-L197 HydrophobicContact CD1-CD1 3.56Å; Y193-L197 HydrophobicContact CD2-CD1 4.47Å; Y193-L197 HydrophobicContact CE1-CD1 3.11Å; Y193-L197 HydrophobicContact CE2-CD1 4.12Å; Y193-L197 HydrophobicContact CG-CD1 4.23Å; Y193-L197 VanDerWaalsContact CZ-CD1 3.42Å; Y193-L197 WeakPolarHBondContact O-CB 3.21Å; Y193-L197 PolarHBondContact O-N 2.84Å
194V76.6Confident70.5Confident81 Ų81102.7 Ų102.749%0.49152%0.515SS..Hα-helixtrans-64.4-44173.2172.60000111.1D190 L191 Q192 L197 D198D190-V194 VanDerWaalsContact O-CG2 3.24Å; D190-V194 WeakPolarHBondContact O-CG2 3.12Å; D190-V194 PolarHBondContact O-N 3.17Å; L191-V194 PolarHBondContact O-N 3.32Å; Q192-V194 VanDerWaalsContact C-N 3.34Å; Q192-V194 PolarHBondContact O-N 3.28Å; V194-L197 PolarHBondContact O-N 3.31Å; V194-D198 PolarHBondContact O-N 3.4Å
195E74.8Confident70.5Confident134 Ų134102.2 Ų102.263%0.62651%0.509SS*.Hα-helixtrans-63.9-39.5175.3-74.5-175.2171.300112.4L191 Q192 D198 T199L191-E195 WeakPolarHBondContact O-CG 3.31Å; L191-E195 PolarHBondContact O-N 2.79Å; Q192-E195 PolarHBondContact O-N 2.83Å; E195-D198 PolarHBondContact O-N 3.01Å; E195-T199 WeakPolarHBondContact O-CG2 3.17Å; E195-T199 PolarHBondContact O-N 3.05Å; E195-T199 PolarHBondContact O-OG1 2.79Å; E195-T199 VanDerWaalsContact O-OG1 3.08Å
196E75.8Confident70.6Confident118 Ų118101.5 Ų101.555%0.55151%0.51SS*.Hα-helixtrans-65.5-39.9174.2-78.4-171.5173.500112Q192 Y193 T199 L200Q192-E196 WeakPolarHBondContact O-CB 3.45Å; Q192-E196 WeakPolarHBondContact O-CG 3.2Å; Q192-E196 PolarHBondContact O-N 3.12Å; Y193-E196 PolarHBondContact O-N 2.96Å; E196-T199 WeakPolarHBondContact CA-OG1 3.45Å; E196-T199 PolarHBondContact O-N 3.27Å; E196-T199 PolarHBondContact O-OG1 2.99Å; E196-L200 WeakPolarHBondContact O-CB 3.14Å; E196-L200 VanDerWaalsContact O-CG 3.31Å; E196-L200 WeakPolarHBondContact O-CG 3.05Å; E196-L200 PolarHBondContact O-N 3.24Å
197L77Confident70.6Confident67 Ų67103.7 Ų103.735%0.35151%0.514SS..Hα-helixtrans-65.2-40.8173.7-105.5132.3000112.3Y193 V194 L200 N201Y193-L197 HydrophobicContact CD1-CD1 3.56Å; Y193-L197 HydrophobicContact CD2-CD1 4.47Å; Y193-L197 HydrophobicContact CE1-CD1 3.11Å; Y193-L197 HydrophobicContact CE2-CD1 4.12Å; Y193-L197 HydrophobicContact CG-CD1 4.23Å; Y193-L197 VanDerWaalsContact CZ-CD1 3.42Å; Y193-L197 WeakPolarHBondContact O-CB 3.21Å; Y193-L197 PolarHBondContact O-N 2.84Å; V194-L197 PolarHBondContact O-N 3.31Å; L197-L200 PolarHBondContact O-N 3.2Å; L197-N201 VanDerWaalsContact O-CB 3.28Å; L197-N201 WeakPolarHBondContact O-CB 3.03Å; L197-N201 VanDerWaalsContact O-CG 3.23Å; L197-N201 PolarHBondContact O-N 3.37Å; L197-N201 PolarHBondContact O-ND2 3.47Å
198D76.3Confident70.4Confident98 Ų98104.9 Ų104.952%0.52452%0.515SS..Hα-helixtrans-66.9-40.2177-84.9-8.6000111.6V194 E195 N201 H202V194-D198 PolarHBondContact O-N 3.4Å; E195-D198 PolarHBondContact O-N 3.01Å; D198-N201 PolarHBondContact O-N 2.9Å; D198-H202 WeakPolarHBondContact O-CB 3.29Å; D198-H202 PolarHBondContact O-N 2.89Å
199T77.2Confident70.2Confident80 Ų80104.2 Ų104.249%0.49152%0.518SS..Hα-helixtrans-66.8-41.6174.354.90000112.1E195 E196 H202 I203E195-T199 WeakPolarHBondContact O-CG2 3.17Å; E195-T199 PolarHBondContact O-N 3.05Å; E195-T199 PolarHBondContact O-OG1 2.79Å; E195-T199 VanDerWaalsContact O-OG1 3.08Å; E196-T199 WeakPolarHBondContact CA-OG1 3.45Å; E196-T199 PolarHBondContact O-N 3.27Å; E196-T199 PolarHBondContact O-OG1 2.99Å; T199-H202 PolarHBondContact O-N 2.93Å; T199-I203 WeakPolarHBondContact O-CD1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.49Å; T199-I203 PolarHBondContact O-N 3.07Å
200L75.7Confident69.8Low104 Ų104104.6 Ų104.655%0.54552%0.518SS..Hα-helixtrans-63.3-41.9173.9-78.5167.6000112.2E196 L197 I203 E204E196-L200 WeakPolarHBondContact O-CB 3.14Å; E196-L200 VanDerWaalsContact O-CG 3.31Å; E196-L200 WeakPolarHBondContact O-CG 3.05Å; E196-L200 PolarHBondContact O-N 3.24Å; L197-L200 PolarHBondContact O-N 3.2Å; L200-I203 PolarHBondContact O-N 3.45Å; L200-E204 PolarHBondContact O-N 3.08Å
201N73.7Confident69.2Low79 Ų79103.7 Ų103.742%0.42251%0.513SS..Hα-helixtrans-62.4-42.7175.2-79.9-32.2000111.3L197 D198 I203 E204 E205L197-N201 VanDerWaalsContact O-CB 3.28Å; L197-N201 WeakPolarHBondContact O-CB 3.03Å; L197-N201 VanDerWaalsContact O-CG 3.23Å; L197-N201 PolarHBondContact O-N 3.37Å; L197-N201 PolarHBondContact O-ND2 3.47Å; D198-N201 PolarHBondContact O-N 2.9Å; N201-I203 VanDerWaalsContact C-N 3.33Å; N201-I203 PolarHBondContact O-N 3.31Å; N201-E204 PolarHBondContact O-N 3.06Å; N201-E205 WeakPolarHBondContact O-CB 3.43Å; N201-E205 WeakPolarHBondContact O-CG 3.39Å; N201-E205 PolarHBondContact O-N 2.98Å
202H70.2Confident68.5Low137 Ų137105.8 Ų105.863%0.63452%0.517SS*.Hα-helixtrans-65-35.6175-98.8-20.5000113.2D198 T199 E205 S206D198-H202 WeakPolarHBondContact O-CB 3.29Å; D198-H202 PolarHBondContact O-N 2.89Å; T199-H202 PolarHBondContact O-N 2.93Å; H202-E205 IonicContact ND1-OE2 2.58Å; H202-S206 WeakPolarHBondContact O-CB 3.16Å; H202-S206 PolarHBondContact O-N 3.29Å
203I72.4Confident67.5Low85 Ų85107.7 Ų107.744%0.43653%0.526SS..Hα-helixtrans-66.4-46.4174-69.7165.3000110.3T199 L200 N201 E205 S206 Y207T199-I203 WeakPolarHBondContact O-CD1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.49Å; T199-I203 PolarHBondContact O-N 3.07Å; L200-I203 PolarHBondContact O-N 3.45Å; N201-I203 VanDerWaalsContact C-N 3.33Å; N201-I203 PolarHBondContact O-N 3.31Å; I203-E205 PolarHBondContact O-N 3.4Å; I203-S206 WeakPolarHBondContact O-CB 3.31Å; I203-S206 PolarHBondContact O-N 3.13Å; I203-Y207 HydrophobicContact CG2-CD2 3.67Å; I203-Y207 HydrophobicContact CG2-CE2 3.29Å; I203-Y207 WeakPolarHBondContact O-CD2 3.42Å; I203-Y207 PolarHBondContact O-N 3.39Å
204E65.6Low66.3Low102 Ų102108.1 Ų108.148%0.47753%0.531SS..Hα-helixtrans-61.9-41.7176.4-85.5-152.5-178.700113.1L200 N201 S206 Y207 K208L200-E204 PolarHBondContact O-N 3.08Å; N201-E204 PolarHBondContact O-N 3.06Å; E204-S206 VanDerWaalsContact C-N 3.29Å; E204-S206 PolarHBondContact O-N 3Å; E204-Y207 PolarHBondContact O-N 3.19Å; E204-K208 WeakPolarHBondContact O-CB 3.47Å; E204-K208 WeakPolarHBondContact O-CG 3.44Å; E204-K208 PolarHBondContact O-N 2.89Å; E204-K208 IonicContact OE2-NZ 2.78Å; E204-K208 PolarHBondContact OE2-NZ 3.37Å
205E61.5Low65.2Low116 Ų116112.7 Ų112.754%0.54254%0.541SS..Hα-helixtrans-62.8-37.8175.5-77-172.315600111.4N201 H202 I203 K208 S209N201-E205 WeakPolarHBondContact O-CB 3.43Å; N201-E205 WeakPolarHBondContact O-CG 3.39Å; N201-E205 PolarHBondContact O-N 2.98Å; H202-E205 IonicContact ND1-OE2 2.58Å; I203-E205 PolarHBondContact O-N 3.4Å; E205-K208 PolarHBondContact O-N 2.72Å; E205-S209 VanDerWaalsContact O-CB 3.29Å; E205-S209 WeakPolarHBondContact O-CB 3.36Å; E205-S209 PolarHBondContact O-N 3.08Å; E205-S209 PolarHBondContact O-OG 3.2Å
206S63.1Low64.1Low57 Ų57116.8 Ų116.840%0.39955%0.551SS.*Hα-helixtrans-64.7-41.1174.7-169.50000112.3H202 I203 E204 K210H202-S206 WeakPolarHBondContact O-CB 3.16Å; H202-S206 PolarHBondContact O-N 3.29Å; I203-S206 WeakPolarHBondContact O-CB 3.31Å; I203-S206 PolarHBondContact O-N 3.13Å; E204-S206 VanDerWaalsContact C-N 3.29Å; E204-S206 PolarHBondContact O-N 3Å; S206-K210 WeakPolarHBondContact O-CG 3.37Å; S206-K210 PolarHBondContact O-N 3.32Å; S206-K210 VanDerWaalsContact O-N 3.13Å
207Y60.5Low63Low152 Ų152122 Ų12260%0.59657%0.565SS**Hα-helixtrans-68.4-44.3175.3-74.1-66.1000112.5I203 E204 S209 K210 D211I203-Y207 HydrophobicContact CG2-CD2 3.67Å; I203-Y207 HydrophobicContact CG2-CE2 3.29Å; I203-Y207 WeakPolarHBondContact O-CD2 3.42Å; I203-Y207 PolarHBondContact O-N 3.39Å; E204-Y207 PolarHBondContact O-N 3.19Å; Y207-S209 VanDerWaalsContact C-N 3.27Å; Y207-S209 PolarHBondContact O-N 3.11Å; Y207-K210 PolarHBondContact O-N 3.07Å; Y207-D211 PolarHBondContact O-N 3.48Å
208K59.7Low61.8Low120 Ų120129.4 Ų129.452%0.52259%0.588SS.*Hα-helixtrans-63.4-31.9176.4-77.5166.8177.7151.10112.5E204 E205 K212E204-K208 WeakPolarHBondContact O-CB 3.47Å; E204-K208 WeakPolarHBondContact O-CG 3.44Å; E204-K208 PolarHBondContact O-N 2.89Å; E204-K208 IonicContact OE2-NZ 2.78Å; E204-K208 PolarHBondContact OE2-NZ 3.37Å; E205-K208 PolarHBondContact O-N 2.72Å; K208-K212 WeakPolarHBondContact O-CG 3.38Å; K208-K212 PolarHBondContact O-N 2.99Å
209S58.8Low60.7Low75 Ų75132 Ų13252%0.52460%0.602SS.*Hα-helixtrans-70.2-42.6175.3-57.90000111.8E205 Y207 K212 E213E205-S209 VanDerWaalsContact O-CB 3.29Å; E205-S209 WeakPolarHBondContact O-CB 3.36Å; E205-S209 PolarHBondContact O-N 3.08Å; E205-S209 PolarHBondContact O-OG 3.2Å; Y207-S209 VanDerWaalsContact C-N 3.27Å; Y207-S209 PolarHBondContact O-N 3.11Å; S209-K212 PolarHBondContact O-N 3.45Å; S209-E213 PolarHBondContact O-N 3.43Å
210K57Low59.3Low132 Ų132139.5 Ų139.557%0.57462%0.623SS**Hα-helixtrans-68.7-35.3179-75.7176.7178.5173.90113.1S206 Y207 K214S206-K210 WeakPolarHBondContact O-CG 3.37Å; S206-K210 PolarHBondContact O-N 3.32Å; S206-K210 VanDerWaalsContact O-N 3.13Å; Y207-K210 PolarHBondContact O-N 3.07Å; K210-K214 PolarHBondContact O-N 3.22Å
211D57.2Low58.2Low87 Ų87138 Ų13847%0.46563%0.633SS.*Hα-helixtrans-72.2-36.4176.1-79.5-29.4000112.3Y207 E213 K214 Y215Y207-D211 PolarHBondContact O-N 3.48Å; D211-E213 VanDerWaalsContact C-N 3.29Å; D211-E213 PolarHBondContact O-N 3.16Å; D211-K214 PolarHBondContact O-N 2.73Å; D211-Y215 HydrophobicContact CB-CE2 4.47Å; D211-Y215 WeakPolarHBondContact O-CD2 3.39Å; D211-Y215 PolarHBondContact O-N 2.93Å; D211-Y215 VanDerWaalsContact O-N 3.08Å
212K56Low57Low150 Ų150143.9 Ų143.965%0.65266%0.655SS**Hα-helixtrans-64-31.1175.6-78.7178.1-179174.30113.3K208 S209 R216K208-K212 WeakPolarHBondContact O-CG 3.38Å; K208-K212 PolarHBondContact O-N 2.99Å; S209-K212 PolarHBondContact O-N 3.45Å; K212-R216 PolarHBondContact O-N 3.16Å
213E53.5Low56Low138 Ų138145.1 Ų145.165%0.64567%0.666SS**Hα-helixtrans-71.9-32.2171.5-81.2-165.814000112.9S209 D211S209-E213 PolarHBondContact O-N 3.43Å; D211-E213 VanDerWaalsContact C-N 3.29Å; D211-E213 PolarHBondContact O-N 3.16Å
214K50.9Low55Low159 Ų159148.6 Ų148.669%0.69168%0.68SS**Hα-helixtrans-75.8-32.4-178.2-139.7174.8-174178.20113K210 D211K210-K214 PolarHBondContact O-N 3.22Å; D211-K214 PolarHBondContact O-N 2.73Å
215Y52.3Low53.9Low177 Ų177152.8 Ų152.869%0.69470%0.699SS**Hα-helixtrans-77.7-29.6174.6-73.9-75.6000113.4D211 R217 R218D211-Y215 HydrophobicContact CB-CE2 4.47Å; D211-Y215 WeakPolarHBondContact O-CD2 3.39Å; D211-Y215 PolarHBondContact O-N 2.93Å; D211-Y215 VanDerWaalsContact O-N 3.08Å; Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 3.09Å; Y215-R218 PolarHBondContact O-N 3.46Å
216R51Low53.3Low220 Ų220155.1 Ų155.183%0.8371%0.71SS**Hα-helixtrans-70.7-19.2175.6-78.6-176.4175.2174.5-0.6114.3K212K212-R216 PolarHBondContact O-N 3.16Å
217R53.2Low52.4Low227 Ų227163.3 Ų163.386%0.85773%0.732SS**THydrogen-bonded Turntrans-90.5-0.5177.8-73.9-170178.2-169.91.9114.7Y215Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 3.09Å
218R51.4Low51.7Low222 Ų222167 Ų16784%0.83875%0.745SS**SBendtrans-112.3-1-171.7-133.9175.4-166.2169.52.6116.2Y215Y215-R218 PolarHBondContact O-N 3.46Å
219D52.9Low50.8Low152 Ų152171.3 Ų171.381%0.81376%0.758SS**SBendtrans-106.918.5-172.8-107.3-19.2000115.7
220Y49.4Very low50.2Low239 Ų239175.1 Ų175.194%0.93777%0.767SS**SBendtrans-114.292.9167.8-89.9-90000109.7
221G52.8Low49.3Very low73 Ų73179 Ų17975%0.75378%0.778SS**  trans151.662.8168.200000115.6
222K47.3Very low48.5Very low202 Ų202182.3 Ų182.388%0.87879%0.791SS**  trans-157.365.5160.9-137.5172.7-175.11780112.5H224K222-H224 PolarHBondContact O-N 2.99Å
223D49.4Very low47.7Very low163 Ų163183.2 Ų183.287%0.87280%0.798SS**  trans-77.1108.9171.2-80.9-42.6000111.8
224H51.3Low47.4Very low158 Ų158181.9 Ų181.973%0.73180%0.803SS**  trans29.4104.6138.9-86.7-81.9000120.1K222 H226K222-H224 PolarHBondContact O-N 2.99Å; H224-H226 AromaticContact ND1-NE2 3.88Å; H224-H226 PolarHBondContact O-N 3.32Å
225H42.4Very low46.9Very low189 Ų189179.3 Ų179.388%0.87580%0.803SS**  trans-63.7117.3152.2-75.2-80.1000111.5
226H49.1Very low46.6Very low165 Ų165180.2 Ų180.276%0.76481%0.813SS**  trans-134.2123.7153.3-83.9-69.3000112.6H224H224-H226 AromaticContact ND1-NE2 3.88Å; H224-H226 PolarHBondContact O-N 3.32Å
227R44Very low46.2Very low230 Ų230173.9 Ų173.987%0.86881%0.807SS**  trans-38.5140.2169.7-66164163.4169.7-5.9114.8
228R47.1Very low45.6Very low229 Ų229170.9 Ų170.986%0.86480%0.803SS**  159.5111.9118.5-89.7173.4175.4-175.1-0.6108.6
229R40.7Very low45Very low211 Ų211168.8 Ų168.880%0.79680%0.795SS**  78.2115.895.1-107.3-173.6-179.4177.31.5113.3
230H44.6Very low44.4Very low155 Ų155170.4 Ų170.472%0.71879%0.79SS**  trans87.3110142.9-68.4-49.7000119.8
231R38.4Very low44.1Very low213 Ų213165.5 Ų165.580%0.80478%0.776SS**  103.8100.4115.3-161169.2-167.6-176.8-0.2116.7
232E40.1Very low43.3Very low157 Ų157171.6 Ų171.673%0.73478%0.776SS**  47.3125.5129.7-61176.9161.500120.1
233E39.1Very low43.3Very low169 Ų169168 Ų16879%0.7977%0.767SS**  111.189.3129.7-144.6149.2-15600117.3
234S48.4Very low43Very low109 Ų109169.7 Ų169.776%0.76276%0.761SS**  80.5148.1125.5-68.40000121.1
235P41.2Very low42.5Very low105 Ų105167.7 Ų167.768%0.68276%0.755SS**  trans-115.6147.5-146.135.8-21.1000112.4
236H44.9Very low42.6Very low197 Ų197168.1 Ų168.191%0.91276%0.757SS**  trans-177.2156.5141.2-107.6-51.9000113.8
237A43.7Very low42.4Very low86 Ų86167.4 Ų167.471%0.71176%0.757SS**  trans81.695.3157.600000115.4
238E39.7Very low42.2Very low164 Ų164161.2 Ų161.277%0.76675%0.75SS**  65.812884.7-90.4-156.2-173.900114.9
239R39.5Very low42.2Very low179 Ų179154.8 Ų154.868%0.67574%0.74SS**  trans89.7106.2145.7-76.4171.7179.1-126.1-3119.7
240R38.9Very low42.2Very low186 Ų186155.4 Ų155.470%0.70274%0.742SS**  74.6116.9112.4-74.4-175.5179.9170.5-1.3119
241E43.4Very low42.3Very low136 Ų136155.6 Ų155.664%0.63674%0.743SS**  73115.7124.1-68.1-161.3123.900120.4
242R37.1Very low42.6Very low201 Ų201154.9 Ų154.976%0.75875%0.746SS**  78.4154.3125.1-74.9-175.9-161.5-147.8-2118.7
243D45.7Very low42.8Very low127 Ų127153.7 Ų153.768%0.67975%0.745SS**  trans86.6135.1166-60.5-22.3000114.4
244R43Very low42.9Very low198 Ų198156.1 Ų156.175%0.74775%0.746SS**  cis177.8163.8-12.4-131.9-178.9-165.5150.92.5105
245D42.7Very low42.7Very low116 Ų116158.8 Ų158.862%0.6275%0.747SS**  trans74.5104.4152.1-50.2-26.4000120
246H43.3Very low42.8Very low197 Ų197160.9 Ų160.991%0.91275%0.752SS**  -154.2127.9115.3-115.740.5000114
247I44.4Very low42.6Very low150 Ų150158.7 Ų158.777%0.76975%0.747SS**  trans-99.4140.1-175.5-68.8163.5000108.6
248S41.5Very low42.6Very low101 Ų101161 Ų16171%0.70674%0.744SS**  trans-173.498.9141.3-168.80000108.3
249S46.7Very low42.6Very low94 Ų94162.4 Ų162.466%0.65774%0.742SS**  63.7132.198.987.40000112.9
250R39.1Very low42.8Very low223 Ų223163 Ų16384%0.84275%0.749SS**  cis-174.8133.431.1-148.8169.9-177.2169.20109.5
251H47.3Very low42.8Very low160 Ų160162 Ų16274%0.74175%0.752SS**  trans26.1133.5143.3-80.5-83.5000121.5
252K44Very low42.9Very low197 Ų197161.4 Ų161.486%0.85775%0.753SS**  -177139.679.8-128.6166-174.1-178.80112.5
253D44.3Very low43.1Very low133 Ų133162.2 Ų162.271%0.71176%0.756SS**  trans-75.9160.7-174.4-49.5-77000115.6
254R42Very low42.9Very low220 Ų220163 Ų16383%0.8376%0.761SS**  trans140.1110.1141.4-81.5176.4170.2164.3-2.2110.5
255E44.2Very low42.8Very low164 Ų164163.5 Ų163.577%0.76677%0.768SS**  53.4111.590-69.1179.2163.100109
256D44.4Very low42.7Very low150 Ų150161.8 Ų161.880%0.80277%0.77SS**  -166157.555.2-99.2-43.1000111.4
257N40.5Very low42.6Very low151 Ų151159.9 Ų159.981%0.80776%0.761SS**  trans-46.7136.4159.2-88.6-46.4000111.2
258E43.6Very low42.5Very low135 Ų135162 Ų16263%0.63176%0.76SS**  168.9125.5114.9-90.4-167.8177.700111.4
259R39.8Very low42.4Very low193 Ų193167.4 Ų167.473%0.72877%0.765SS**  trans66.3110.6134.7-64.1173.3176153.7-5.2119.5
260K42.9Very low41.9Very low190 Ų190168.1 Ų168.183%0.82677%0.769SS**  66.2131121.4-75.6-173.7172.6-176.20119.1
261H39.1Very low41.8Very low167 Ų167166.3 Ų166.377%0.77377%0.77SS**  trans63.9117.6149.6-106.5-137.9000113.8
262D45.2Very low41.8Very low123 Ų123163.4 Ų163.466%0.65877%0.768SS**  -178.9163.957-109.7-53.4000107.4
263R42Very low41.7Very low217 Ų217157.8 Ų157.882%0.81977%0.766SS**  trans85.3124.8150.2-82.9177.7-171173.13121.6
264D41.4Very low41.8Very low144 Ų144158.1 Ų158.177%0.7777%0.768SS**  trans86.292.2139-55.1-22.5000117.9
265K40.4Very low41.8Very low209 Ų209158.1 Ų158.191%0.90977%0.768SS**  trans-137.295.4142.8-134.4162.5-170.9166.90111.5
266A41.1Very low41.7Very low80 Ų80161.5 Ų161.566%0.66177%0.774SS**  trans-44.7143.9163.700000112.5
267H41Very low41.6Very low156 Ų156161.9 Ų161.972%0.72278%0.775SS**  trans-177.5124.7131.3-93.7-30.9000113
268R41.8Very low41.7Very low195 Ų195158.6 Ų158.674%0.73677%0.769SS**  trans75.3126.4141-61.6170.5-171.9-162.9-0.4114.8
269R38.7Very low41.6Very low215 Ų215163.7 Ų163.781%0.81178%0.783SS**  cis-174.4127.842-108.6149.8177.7178.5-2.3110.2
270S36.8Very low41.8Very low108 Ų108159.6 Ų159.676%0.75578%0.783SS**  trans25.4123.113655.70000123.3
271H38.3Very low42Very low185 Ų185158.3 Ų158.386%0.85678%0.778SS**  trans-167.2105.1132.4-142.854.4000109.5
272S47.2Very low42.2Very low100 Ų100159.5 Ų159.570%0.69978%0.776SS**  49.2135.8114.867.30000115.1
273G42Very low42.3Very low79 Ų79160.5 Ų160.581%0.81478%0.781SS**  cis-163.1-169.3-1.900000104.2
274D46.3Very low42.4Very low140 Ų140157.7 Ų157.775%0.74978%0.782SS**  cis-173.1160.3-4.6-169.710.2000103.7
275R41.4Very low42.8Very low220 Ų220154.5 Ų154.583%0.8377%0.771SS**  trans89.998160.4-52-170.2180179.2-2.8120.8
276R41.2Very low42.8Very low235 Ų235155.5 Ų155.589%0.88777%0.769SS**  trans-68.7149.3153.1-56.6166.6174.3177.9-3.4111.8
277N43.4Very low43.4Very low157 Ų157156.8 Ų156.884%0.8477%0.773SS**  172.5119126-104.1-13.3000110.8
278A42.9Very low43.9Very low82 Ų82154.4 Ų154.468%0.67877%0.772SS**  76.899.692.900000112.9
279R39.9Very low44.2Very low243 Ų243151.3 Ų151.392%0.91777%0.77SS**  52.2113.796.1-87.4-173.8177178.3-0.1115.4
280S44.9Very low44.5Very low106 Ų106147.3 Ų147.374%0.74176%0.76SS**  118.7128.7129.887.80000118.3
281K46.5Very low45.1Very low163 Ų163148.7 Ų148.771%0.70975%0.753SS**  trans80.1125.8134.3-82-179.6175.61760121.3
282R44.7Very low45.4Very low192 Ų192150.1 Ų150.173%0.72575%0.75SS**  80.2112.7130-71.5-173.5171.9173.6-6.2116.8
283D46Very low45.3Very low144 Ų144151.2 Ų151.277%0.7775%0.753SS**  83.9105.689-73.8-29.7000110.6
284D44.9Very low45.5Very low158 Ų158158.9 Ų158.985%0.84576%0.757SS**  trans172157.9139.8-126.5-7.2000107.9
285S49.2Very low45.6Very low77 Ų77159.1 Ų159.154%0.53876%0.759SS.*  -160.9164.6-62.9520000105.3
286R40.7Very low46Very low231 Ų231158.6 Ų158.687%0.87276%0.763SS**  trans74.5138.8160.7-67.8168.6169.9179.2-2.5117.3
287S54.1Low46.4Very low107 Ų107154.9 Ų154.975%0.74876%0.76SS**  cis159.3174.8-8.6-100.70000104.7
288P51.5Low46.8Very low106 Ų106158.4 Ų158.469%0.68876%0.762SS**  -136.8-157.2-73.535.7-12000111.2
289D47.3Very low47.5Very low129 Ų129160.9 Ų160.969%0.6976%0.763SS**  trans92.5104.8155.8-91.1-57.3000120.2
290H44.7Very low47.7Very low131 Ų131160.2 Ų160.261%0.60676%0.761SS**  173.4127.893.8-102.7-2000114.6
291K50Low48.2Very low138 Ų138166.2 Ų166.260%0.677%0.767SS**  51.2140.6128.1-64.3173-177.6158.60118.8
292R44.6Very low48.5Very low214 Ų214170.5 Ų170.581%0.80879%0.789SS**  cis-173.2142.411.7-111.2165.6-178.2-179.7-2.2107.9
293T45.3Very low48.7Very low124 Ų124169.4 Ų169.476%0.76179%0.793SS**  trans-24.7143.8154.450.80000118.7
294R45Very low48.9Very low239 Ų239170.7 Ų170.790%0.90279%0.794SS**  -179.1131.2109.5-114178175.1168.9-1.3113.9
295D48.5Very low49.1Very low146 Ų146171.4 Ų171.478%0.78179%0.791SS**  trans-57.2153.2163.5-53.4-75000113.7
296K50.1Low49.1Very low209 Ų209177 Ų17791%0.90981%0.806SS**  -176.7122.2124.8-104.5171.5-179.4-178.80112.7
297D50.4Low49.6Very low157 Ų157173.6 Ų173.684%0.8480%0.802SS**  trans-50.6144.3155.8-63.7-67.7000112.6
298R52.4Low49.3Very low230 Ų230178.1 Ų178.187%0.86881%0.805SS**  trans-165.6110140.8-115.1176.9-173.4-179.41.2112.4
299D57Low49.1Very low134 Ų134183.2 Ų183.272%0.71781%0.814SS**  36.6115.7126.6-65.7-45.8000120.3
300R44Very low49.3Very low229 Ų229187.4 Ų187.486%0.86482%0.823SS**  26.1125118.2-69.9177.6173.5171.9-1.4116.8
301R54.6Low49.7Very low232 Ų232192.1 Ų192.188%0.87584%0.841SS**  -176.3135.7117.8-100.7163.6-170.7-129.33.6112.1
302H54.1Low49.6Very low253 Ų253197 Ų197100%1.17186%0.863SS**  trans76.40164.1-82-68000119.9

Retrieved 302 of 302 residues in 557.9 ms (Link to these results)

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