A0A077ZMN9_TRITR Loading...

IST1 homolog

ESCRT-III-like protein involved in cytokinesis, nuclear envelope reassembly and endosomal tubulation. Is required for efficient abscission during cytokinesis. Involved in recruiting VPS4A and/or VPS4B to the midbody of dividing cells. During late anaphase, involved in nuclear envelope reassembly and mitotic spindle disassembly together with the ESCRT-III complex: IST1 acts by mediating the recruitment of SPAST to the nuclear membrane, leading to microtubule severing. Recruited to the reforming nuclear envelope (NE) during anaphase by LEMD2. Regulates early endosomal tubulation together with the ESCRT-III complex by mediating the recruitment of SPAST.

AlphaFold DB , UniProt , Accession A0A077ZMN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 315 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
1M40.3Very low75.6Confident241 Ų241101.1 Ų101.1100%1.18755%0.551SS**  01190-78.1175.1167.300107.7S3M1-S3 PolarHBondContact O-N 3.19Å; M1-S3 VanDerWaalsContact O-N 3.07Å
2F48Very low77.1Confident208 Ų20898.5 Ų98.591%0.91253%0.53SS*.  trans-69.7103.6174.4-63.8-81.5000108.1V4F2-V4 PolarHBondContact O-N 3.32Å; F2-V4 VanDerWaalsContact O-N 3.12Å
3S53.2Low78.6Confident115 Ų11596.2 Ų96.280%0.80452%0.521SS*.  trans-65.2108168.9169.70000107.5M1 G5M1-S3 PolarHBondContact O-N 3.19Å; M1-S3 VanDerWaalsContact O-N 3.07Å; S3-G5 VanDerWaalsContact C-N 3.34Å; S3-G5 PolarHBondContact O-N 3.35Å
4V69.3Low79.8Confident116 Ų11690.9 Ų90.970%0.70349%0.493SS*.  trans-72.895.5171.7-179.70000106.3F2 I123F2-V4 PolarHBondContact O-N 3.32Å; F2-V4 VanDerWaalsContact O-N 3.12Å; V4-I123 WeakPolarHBondContact O-CG2 3.46Å
5G78.4Confident80.8Confident42 Ų4284.9 Ų84.943%0.43346%0.46SS..  trans-60.1162.3173.200000112S3 N7S3-G5 VanDerWaalsContact C-N 3.34Å; S3-G5 PolarHBondContact O-N 3.35Å; G5-N7 PolarHBondContact O-N 3.37Å
6P82.1Confident81.8Confident32 Ų3288.4 Ų88.421%0.20847%0.465CS..  trans-63.1134.2179.126.7-32.8000110.2Y8 I123 K124P6-Y8 HydrophobicContact CG-CE1 4.4Å; P6-Y8 HydrophobicContact CG-CE2 3.89Å; P6-Y8 PolarHBondContact O-N 3.36Å; P6-I123 HydrophobicContact CB-CB 4.38Å; P6-I123 HydrophobicContact CB-CG2 4.04Å; P6-K124 HydrophobicContact CB-CB 4.18Å; P6-K124 HydrophobicContact CG-CB 4.14Å; P6-K124 HydrophobicContact CG-CD 4.08Å
7N90.6Very high82.7Confident83 Ų8387.9 Ų87.944%0.44446%0.462SS..  trans-87.592.4176.9-173.7-28.1000109.3G5 T9 K10 L11 Q120G5-N7 PolarHBondContact O-N 3.37Å; N7-T9 VanDerWaalsContact C-N 3.29Å; N7-T9 PolarHBondContact O-N 3.12Å; N7-T9 WeakPolarHBondContact OD1-CB 3.49Å; N7-T9 PolarHBondContact OD1-N 3.33Å; N7-K10 HydrophobicContact CB-CB 3.86Å; N7-K10 WeakPolarHBondContact O-CB 3.29Å; N7-K10 PolarHBondContact O-N 2.98Å; N7-K10 VanDerWaalsContact O-N 3.14Å; N7-K10 PolarHBondContact OD1-N 3.36Å; N7-L11 PolarHBondContact O-N 2.9Å; N7-Q120 PolarHBondContact O-OE1 3.49Å
8Y91.2Very high83.4Confident65 Ų6583.1 Ų83.126%0.25544%0.437SS..Hα-helixtrans-60.1-35.9-179.6-67.2-71.8000113.3P6 K10 L11 K12 F83 I86 Q87 K124P6-Y8 HydrophobicContact CG-CE1 4.4Å; P6-Y8 HydrophobicContact CG-CE2 3.89Å; P6-Y8 PolarHBondContact O-N 3.36Å; Y8-K10 VanDerWaalsContact C-N 3.35Å; Y8-K10 PolarHBondContact O-N 3.39Å; Y8-L11 PolarHBondContact O-N 3.44Å; Y8-K12 WeakPolarHBondContact O-CB 3.43Å; Y8-K12 PolarHBondContact O-N 3.03Å; Y8-F83 HydrophobicContact CD1-CZ 4.33Å; Y8-F83 VanDerWaalsContact O-CZ 3.3Å; Y8-F83 WeakPolarHBondContact O-CZ 3.47Å; Y8-I86 HydrophobicContact CD1-CG2 4.04Å; Y8-I86 HydrophobicContact CE1-CG2 3.8Å; Y8-Q87 HydrophobicContact CE1-CG 4.47Å; Y8-K124 WeakPolarHBondContact OH-CD 3.47Å; Y8-K124 WeakPolarHBondContact OH-CE 3.44Å; Y8-K124 PolarHBondContact OH-NZ 3.44Å; Y8-K124 VanDerWaalsContact OH-NZ 3.12Å
9T92.3Very high84.2Confident108 Ų10879.2 Ų79.266%0.66342%0.416SS*.Hα-helixtrans-62.6-44.7175.2-52.70000110.7N7 K12 T13N7-T9 VanDerWaalsContact C-N 3.29Å; N7-T9 PolarHBondContact O-N 3.12Å; N7-T9 WeakPolarHBondContact OD1-CB 3.49Å; N7-T9 PolarHBondContact OD1-N 3.33Å; T9-K12 PolarHBondContact O-N 2.97Å; T9-T13 PolarHBondContact O-N 3.41Å; T9-T13 PolarHBondContact O-OG1 3.24Å; T9-T13 VanDerWaalsContact O-OG1 3.07Å
10K92.9Very high84.8Confident96 Ų9680.5 Ų80.542%0.41742%0.424SS..Hα-helixtrans-62.4-44.2176.2-173176.6-177.9-176.60111.2N7 Y8 T13 N14 V116N7-K10 HydrophobicContact CB-CB 3.86Å; N7-K10 WeakPolarHBondContact O-CB 3.29Å; N7-K10 PolarHBondContact O-N 2.98Å; N7-K10 VanDerWaalsContact O-N 3.14Å; N7-K10 PolarHBondContact OD1-N 3.36Å; Y8-K10 VanDerWaalsContact C-N 3.35Å; Y8-K10 PolarHBondContact O-N 3.39Å; K10-T13 PolarHBondContact O-N 2.89Å; K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.26Å; K10-N14 PolarHBondContact O-ND2 2.98Å; K10-V116 HydrophobicContact CD-CG1 4.38Å; K10-V116 HydrophobicContact CG-CG1 4.39Å
11L93.3Very high85.4Confident6 Ų681.2 Ų81.23%0.03142%0.421CS..Hα-helixtrans-60.5-49.1177.6178.860.7000111.7N7 Y8 T13 N14 L15 F83 I86 I117 Q120 L121N7-L11 PolarHBondContact O-N 2.9Å; Y8-L11 PolarHBondContact O-N 3.44Å; L11-T13 VanDerWaalsContact C-N 3.35Å; L11-T13 PolarHBondContact O-N 3.02Å; L11-N14 PolarHBondContact O-N 2.96Å; L11-L15 HydrophobicContact CD1-CD1 4.29Å; L11-L15 HydrophobicContact CD1-CG 4.37Å; L11-L15 HydrophobicContact CG-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.47Å; L11-F83 HydrophobicContact CB-CE2 4.39Å; L11-F83 HydrophobicContact CB-CZ 4.28Å; L11-F83 HydrophobicContact CD2-CE2 3.94Å; L11-F83 HydrophobicContact CD2-CZ 4.18Å; L11-F83 HydrophobicContact CG-CE2 3.89Å; L11-F83 HydrophobicContact CG-CZ 4.23Å; L11-I86 HydrophobicContact CD2-CD1 3.56Å; L11-I117 HydrophobicContact CD1-CB 4.14Å; L11-I117 HydrophobicContact CD1-CG1 4.08Å; L11-I117 HydrophobicContact CD1-CG2 3.83Å; L11-Q120 HydrophobicContact CB-CB 4.14Å; L11-Q120 HydrophobicContact CB-CG 4.2Å; L11-Q120 HydrophobicContact CD1-CB 4.03Å; L11-Q120 HydrophobicContact CG-CB 4.45Å; L11-L121 HydrophobicContact CD2-CD2 4.31Å
12K93.9Very high88.1Confident70 Ų7069.8 Ų69.830%0.30436%0.364SS..Hα-helixtrans-60.5-42.5179-167.2170.4-173.6165.70112.3Y8 T9 R16 L80 F83Y8-K12 WeakPolarHBondContact O-CB 3.43Å; Y8-K12 PolarHBondContact O-N 3.03Å; T9-K12 PolarHBondContact O-N 2.97Å; K12-R16 WeakPolarHBondContact O-CG 3.46Å; K12-R16 PolarHBondContact O-N 3.14Å; K12-L80 HydrophobicContact CG-CD2 4.08Å; K12-F83 HydrophobicContact CB-CD1 4.49Å; K12-F83 HydrophobicContact CB-CD2 4.43Å; K12-F83 HydrophobicContact CB-CE1 3.97Å; K12-F83 HydrophobicContact CB-CE2 3.92Å; K12-F83 HydrophobicContact CB-CZ 3.67Å; K12-F83 HydrophobicContact CD-CD1 3.98Å; K12-F83 HydrophobicContact CD-CE1 4.12Å; K12-F83 HydrophobicContact CD-CG 4.36Å; K12-F83 HydrophobicContact CG-CD1 4.41Å; K12-F83 HydrophobicContact CG-CD2 4.45Å; K12-F83 HydrophobicContact CG-CE1 4.37Å; K12-F83 HydrophobicContact CG-CE2 4.42Å; K12-F83 HydrophobicContact CG-CG 4.44Å; K12-F83 HydrophobicContact CG-CZ 4.39Å
13T95.9Very high90.4Very high68 Ų6864.1 Ų64.142%0.41734%0.339SS..Hα-helixtrans-64.9-44.8176.5-61.40000111.6T9 K10 L11 L15 R16 L17T9-T13 PolarHBondContact O-N 3.41Å; T9-T13 PolarHBondContact O-OG1 3.24Å; T9-T13 VanDerWaalsContact O-OG1 3.07Å; K10-T13 PolarHBondContact O-N 2.89Å; L11-T13 VanDerWaalsContact C-N 3.35Å; L11-T13 PolarHBondContact O-N 3.02Å; T13-L15 PolarHBondContact O-N 3.01Å; T13-R16 PolarHBondContact O-N 3.16Å; T13-L17 HydrophobicContact CG2-CD1 4.14Å; T13-L17 WeakPolarHBondContact O-CG 3.28Å; T13-L17 PolarHBondContact O-N 3.27Å
14N95.5Very high92.4Very high23 Ų2363.6 Ų63.612%0.12333%0.327CS..Hα-helixtrans-67.4-35.5179.6-79.9-91.7000112.3K10 L11 R16 L17 A18 V116 I117K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.26Å; K10-N14 PolarHBondContact O-ND2 2.98Å; L11-N14 PolarHBondContact O-N 2.96Å; N14-R16 VanDerWaalsContact C-N 3.34Å; N14-R16 PolarHBondContact O-N 3.35Å; N14-L17 PolarHBondContact O-N 3.14Å; N14-A18 VanDerWaalsContact O-CB 3.32Å; N14-A18 WeakPolarHBondContact O-CB 3.29Å; N14-A18 PolarHBondContact O-N 3.14Å; N14-V116 HydrophobicContact CB-CG1 4.41Å; N14-I117 HydrophobicContact CB-CD1 4.38Å; N14-I117 HydrophobicContact CB-CG1 3.89Å
15L95.6Very high93.7Very high0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-59.7-43.9172.6-78.7166.9000111.8L11 T13 A18 V19 C76 L79 L80 F83 I117L11-L15 HydrophobicContact CD1-CD1 4.29Å; L11-L15 HydrophobicContact CD1-CG 4.37Å; L11-L15 HydrophobicContact CG-CD1 4.19Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.47Å; T13-L15 PolarHBondContact O-N 3.01Å; L15-A18 PolarHBondContact O-N 2.81Å; L15-V19 WeakPolarHBondContact O-CG2 3.35Å; L15-V19 PolarHBondContact O-N 3.43Å; L15-C76 HydrophobicContact CD2-CB 4.22Å; L15-L79 HydrophobicContact CD1-CB 4.23Å; L15-L79 HydrophobicContact CD2-CB 4.35Å; L15-L79 HydrophobicContact CD2-CD1 4.22Å; L15-L80 HydrophobicContact CB-CD1 4.07Å; L15-L80 HydrophobicContact CB-CD2 3.61Å; L15-L80 HydrophobicContact CB-CG 3.73Å; L15-L80 HydrophobicContact CD1-CD2 4.11Å; L15-L80 HydrophobicContact CD1-CG 4.31Å; L15-F83 HydrophobicContact CD1-CD2 3.99Å; L15-F83 HydrophobicContact CD1-CE2 3.89Å; L15-I117 HydrophobicContact CD2-CD1 3.82Å; L15-I117 HydrophobicContact CD2-CG1 4.29Å; L15-I117 HydrophobicContact CD2-CG2 4.34Å; L15-I117 HydrophobicContact CG-CD1 4.13Å; L15-I117 HydrophobicContact CG-CG1 4.27Å
16R96.3Very high94.6Very high141 Ų14157.9 Ų57.953%0.53228%0.282SS..Hα-helixtrans-64.8-41176.7-70.5175.1175.8179.8-4.8112.5K12 T13 N14 N20 L80K12-R16 WeakPolarHBondContact O-CG 3.46Å; K12-R16 PolarHBondContact O-N 3.14Å; T13-R16 PolarHBondContact O-N 3.16Å; N14-R16 VanDerWaalsContact C-N 3.34Å; N14-R16 PolarHBondContact O-N 3.35Å; R16-N20 PolarHBondContact O-N 3.02Å; R16-N20 PolarHBondContact O-ND2 2.93Å; R16-L80 HydrophobicContact CG-CD1 3.89Å; R16-L80 HydrophobicContact CG-CD2 3.96Å
17L96.7Very high95.3Very high81 Ų8162.7 Ų62.742%0.42430%0.299SS..Hα-helixtrans-65.1-41.6176-69.5172.9000111.3T13 N14 N20 R21 E113T13-L17 HydrophobicContact CG2-CD1 4.14Å; T13-L17 WeakPolarHBondContact O-CG 3.28Å; T13-L17 PolarHBondContact O-N 3.27Å; N14-L17 PolarHBondContact O-N 3.14Å; L17-N20 PolarHBondContact O-N 2.72Å; L17-R21 VanDerWaalsContact O-CB 3.29Å; L17-R21 WeakPolarHBondContact O-CB 3.29Å; L17-R21 PolarHBondContact O-N 3.03Å; L17-E113 HydrophobicContact CB-CG 3.76Å
18A96.6Very high95.6Very high0 Ų066.3 Ų66.30%031%0.307CS..Hα-helixtrans-59.3-48.9176.100000111.3N14 L15 N20 R21 L22 V111 E113 I117N14-A18 VanDerWaalsContact O-CB 3.32Å; N14-A18 WeakPolarHBondContact O-CB 3.29Å; N14-A18 PolarHBondContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 2.81Å; A18-N20 PolarHBondContact O-N 3.4Å; A18-R21 WeakPolarHBondContact O-CB 3.39Å; A18-R21 PolarHBondContact O-N 3.15Å; A18-R21 VanDerWaalsContact O-N 3.16Å; A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 WeakPolarHBondContact O-CG 3.36Å; A18-L22 PolarHBondContact O-N 3Å; A18-V111 HydrophobicContact CB-CG1 4.31Å; A18-E113 HydrophobicContact CB-CB 3.89Å; A18-I117 HydrophobicContact CB-CD1 3.9Å
19V96.9Very high95.8Very high9 Ų964.1 Ų64.16%0.05530%0.299CS..Hα-helixtrans-56.4-48.5176.4170.80000111.4L15 R21 L22 K23 E73 C76 E77 L80L15-V19 WeakPolarHBondContact O-CG2 3.35Å; L15-V19 PolarHBondContact O-N 3.43Å; V19-R21 VanDerWaalsContact C-N 3.3Å; V19-R21 PolarHBondContact O-N 3.37Å; V19-L22 PolarHBondContact O-N 3.19Å; V19-K23 HydrophobicContact CG1-CD 4.37Å; V19-K23 WeakPolarHBondContact O-CG 3.29Å; V19-K23 PolarHBondContact O-N 3.32Å; V19-K23 VanDerWaalsContact O-N 3.09Å; V19-E73 HydrophobicContact CG1-CG 4.27Å; V19-C76 HydrophobicContact CG2-CB 3.69Å; V19-E77 HydrophobicContact CG1-CG 4Å; V19-E77 HydrophobicContact CG2-CG 3.85Å; V19-L80 HydrophobicContact CG2-CD1 4.13Å
20N96.9Very high96Very high105 Ų10561.9 Ų61.956%0.56129%0.285SS*.Hα-helixtrans-63.5-37178.7-70.5-33.1000112.8R16 L17 A18 L24R16-N20 PolarHBondContact O-N 3.02Å; R16-N20 PolarHBondContact O-ND2 2.93Å; L17-N20 PolarHBondContact O-N 2.72Å; A18-N20 PolarHBondContact O-N 3.4Å; N20-L24 PolarHBondContact O-N 3.35Å
21R96.6Very high96.2Very high97 Ų9762 Ų6237%0.36629%0.287SS..Hα-helixtrans-68.1-41.9178-179.864.3167.3174.9-3.8111.4L17 A18 V19 L24 L25 E110 V111L17-R21 VanDerWaalsContact O-CB 3.29Å; L17-R21 WeakPolarHBondContact O-CB 3.29Å; L17-R21 PolarHBondContact O-N 3.03Å; A18-R21 WeakPolarHBondContact O-CB 3.39Å; A18-R21 PolarHBondContact O-N 3.15Å; A18-R21 VanDerWaalsContact O-N 3.16Å; V19-R21 VanDerWaalsContact C-N 3.3Å; V19-R21 PolarHBondContact O-N 3.37Å; R21-L24 PolarHBondContact O-N 2.92Å; R21-L25 HydrophobicContact CG-CD1 4.16Å; R21-L25 WeakPolarHBondContact O-CG 3.44Å; R21-L25 PolarHBondContact O-N 3.02Å; R21-E110 PolarHBondContact NE-O 2.93Å; R21-E110 VanDerWaalsContact NE-O 3.13Å; R21-E110 PolarHBondContact NH2-O 3.33Å; R21-E110 VanDerWaalsContact NH2-O 3.09Å; R21-V111 HydrophobicContact CG-CG1 4.15Å; R21-V111 HydrophobicContact CG-CG2 4.19Å
22L96.9Very high96.3Very high0 Ų065.9 Ų65.90%031%0.305CS..Hα-helixtrans-60.2-52.4176.8-71.1165.3000110.7A18 V19 L24 L25 E26 L69 I72 E73 V111A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 WeakPolarHBondContact O-CG 3.36Å; A18-L22 PolarHBondContact O-N 3Å; V19-L22 PolarHBondContact O-N 3.19Å; L22-L24 VanDerWaalsContact C-N 3.26Å; L22-L24 PolarHBondContact O-N 2.9Å; L22-L24 VanDerWaalsContact O-N 3.16Å; L22-L25 WeakPolarHBondContact O-CA 3.48Å; L22-L25 WeakPolarHBondContact O-CB 3.24Å; L22-L25 PolarHBondContact O-N 3.26Å; L22-E26 WeakPolarHBondContact O-CG 3.31Å; L22-E26 PolarHBondContact O-N 3.38Å; L22-L69 HydrophobicContact CD2-CB 4.31Å; L22-L69 HydrophobicContact CD2-CD2 3.57Å; L22-I72 HydrophobicContact CD1-CG2 3.96Å; L22-E73 HydrophobicContact CB-CB 4.19Å; L22-E73 HydrophobicContact CD1-CB 4.05Å; L22-V111 HydrophobicContact CD2-CG2 3.81Å; L22-V111 HydrophobicContact CG-CG2 4.41Å
23K96.8Very high96.3Very high89 Ų8962.6 Ų62.639%0.38729%0.291SS..Hα-helixtrans-49.9-43.9173.4-69.2-178.5178.2171.80113.5V19 K27 E73 E77V19-K23 HydrophobicContact CG1-CD 4.37Å; V19-K23 WeakPolarHBondContact O-CG 3.29Å; V19-K23 PolarHBondContact O-N 3.32Å; V19-K23 VanDerWaalsContact O-N 3.09Å; K23-K27 PolarHBondContact O-N 3.45Å; K23-E73 WeakPolarHBondContact CE-OE1 3.17Å; K23-E73 WeakPolarHBondContact CG-OE2 3.38Å; K23-E73 PolarHBondContact N-OE2 3.27Å; K23-E73 IonicContact NZ-OE1 2.68Å; K23-E77 IonicContact NZ-OE1 2.65Å; K23-E77 PolarHBondContact NZ-OE1 3.15Å
24L96.6Very high96.3Very high105 Ų10564.5 Ų64.555%0.5530%0.295SS..Hα-helixtrans-69.2-39.8179.2-179.163000112.1N20 R21 L22 R28N20-L24 PolarHBondContact O-N 3.35Å; R21-L24 PolarHBondContact O-N 2.92Å; L22-L24 VanDerWaalsContact C-N 3.26Å; L22-L24 PolarHBondContact O-N 2.9Å; L22-L24 VanDerWaalsContact O-N 3.16Å; L24-R28 WeakPolarHBondContact O-CB 3.38Å; L24-R28 PolarHBondContact O-N 3.47Å
25L96.3Very high96.3Very high14 Ų1470.2 Ų70.27%0.07332%0.319CS..Hα-helixtrans-68.3-44.1178.4-74.6172.1000111.6R21 L22 R28 K29 L69 E110 V111R21-L25 HydrophobicContact CG-CD1 4.16Å; R21-L25 WeakPolarHBondContact O-CG 3.44Å; R21-L25 PolarHBondContact O-N 3.02Å; L22-L25 WeakPolarHBondContact O-CA 3.48Å; L22-L25 WeakPolarHBondContact O-CB 3.24Å; L22-L25 PolarHBondContact O-N 3.26Å; L25-R28 PolarHBondContact O-N 3.25Å; L25-K29 WeakPolarHBondContact O-CB 3.48Å; L25-K29 WeakPolarHBondContact O-CG 3.49Å; L25-K29 PolarHBondContact O-N 3.33Å; L25-L69 HydrophobicContact CB-CD1 4.2Å; L25-E110 HydrophobicContact CD1-CB 3.87Å; L25-V111 HydrophobicContact CD1-CG2 3.49Å; L25-V111 VanDerWaalsContact CD1-CG2 3.49Å
26E96.9Very high96.3Very high24 Ų2471.8 Ų71.811%0.11233%0.327CS..Hα-helixtrans-55-54174.9-72.3165.9-160.800110.6L22 R28 K29 T30 L69 E70L22-E26 WeakPolarHBondContact O-CG 3.31Å; L22-E26 PolarHBondContact O-N 3.38Å; E26-R28 VanDerWaalsContact C-N 3.35Å; E26-R28 PolarHBondContact O-N 3.26Å; E26-K29 PolarHBondContact O-N 2.93Å; E26-T30 WeakPolarHBondContact O-CB 3.49Å; E26-T30 PolarHBondContact O-N 3.47Å; E26-T30 PolarHBondContact O-OG1 3.32Å; E26-L69 HydrophobicContact CG-CB 3.77Å; E26-L69 HydrophobicContact CG-CD1 4.41Å; E26-L69 VanDerWaalsContact OE1-C 3.26Å; E26-E70 HydrophobicContact CG-CG 4.25Å; E26-E70 WeakPolarHBondContact OE1-CA 3.18Å; E26-E70 PolarHBondContact OE1-N 3.23Å
27K96.8Very high96.3Very high132 Ų13267 Ų6757%0.57431%0.309SS*.Hα-helixtrans-56.1-48.1177.3-178.3174.5177.6175.10112K23 T30 E31K23-K27 PolarHBondContact O-N 3.45Å; K27-T30 PolarHBondContact O-N 3.22Å; K27-E31 WeakPolarHBondContact CE-OE1 3.26Å; K27-E31 WeakPolarHBondContact O-CB 3.26Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.02Å
28R96.7Very high96.2Very high159 Ų15968.9 Ų68.960%0.631%0.314SS*.Hα-helixtrans-62.2-44.8-179.7178.7-178.1170.5179.3-1.8111.9L24 L25 E26 E31 Q32L24-R28 WeakPolarHBondContact O-CB 3.38Å; L24-R28 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 3.25Å; E26-R28 VanDerWaalsContact C-N 3.35Å; E26-R28 PolarHBondContact O-N 3.26Å; R28-E31 PolarHBondContact O-N 2.94Å; R28-Q32 WeakPolarHBondContact O-CB 3.47Å; R28-Q32 PolarHBondContact O-N 3.09Å
29K96.1Very high96.1Very high19 Ų1972.6 Ų72.68%0.08333%0.331CS..Hα-helixtrans-67.4-42.6-179.7-76.2-163.5-179.3-153.70111.1L25 E26 E31 Q32 A33 E62 S65 V66 L69 E110L25-K29 WeakPolarHBondContact O-CB 3.48Å; L25-K29 WeakPolarHBondContact O-CG 3.49Å; L25-K29 PolarHBondContact O-N 3.33Å; E26-K29 PolarHBondContact O-N 2.93Å; K29-E31 PolarHBondContact O-N 3.5Å; K29-Q32 PolarHBondContact O-N 3.17Å; K29-A33 WeakPolarHBondContact O-CB 3.34Å; K29-A33 PolarHBondContact O-N 3.18Å; K29-E62 IonicContact NZ-OE2 3.77Å; K29-S65 PolarHBondContact NZ-OG 3.38Å; K29-V66 HydrophobicContact CB-CG2 3.47Å; K29-V66 VanDerWaalsContact CB-CG2 3.47Å; K29-V66 HydrophobicContact CD-CG2 4.23Å; K29-V66 HydrophobicContact CG-CG2 4.48Å; K29-L69 HydrophobicContact CD-CD1 4Å; K29-E110 WeakPolarHBondContact CE-OE1 3.44Å; K29-E110 VanDerWaalsContact CE-OE2 3.23Å; K29-E110 WeakPolarHBondContact CE-OE2 3.43Å; K29-E110 IonicContact NZ-OE1 3.65Å; K29-E110 PolarHBondContact NZ-OE1 3.21Å; K29-E110 IonicContact NZ-OE2 2.69Å; K29-E110 PolarHBondContact NZ-OE2 3.4Å; K29-E110 VanDerWaalsContact NZ-OE2 3.17Å
30T95.7Very high96.1Very high62 Ų6272.2 Ų72.238%0.3833%0.329SS..Hα-helixtrans-60.2-45.3174.9-61.20000111.6E26 K27 Q32 A33 Q34E26-T30 WeakPolarHBondContact O-CB 3.49Å; E26-T30 PolarHBondContact O-N 3.47Å; E26-T30 PolarHBondContact O-OG1 3.32Å; K27-T30 PolarHBondContact O-N 3.22Å; T30-Q32 PolarHBondContact O-N 2.85Å; T30-A33 PolarHBondContact O-N 3.47Å; T30-Q34 WeakPolarHBondContact O-CG 3.49Å; T30-Q34 PolarHBondContact O-N 3.49Å
31E96.2Very high96Very high99 Ų9967.4 Ų67.446%0.46330%0.304SS..Hα-helixtrans-62.1-41.1175-74.5175.7-167.800112.5K27 R28 K29 Q34 K35K27-E31 WeakPolarHBondContact CE-OE1 3.26Å; K27-E31 WeakPolarHBondContact O-CB 3.26Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.02Å; R28-E31 PolarHBondContact O-N 2.94Å; K29-E31 PolarHBondContact O-N 3.5Å; E31-Q34 PolarHBondContact O-N 2.92Å; E31-K35 PolarHBondContact O-N 3.12Å
32Q95.9Very high95.9Very high86 Ų8667.1 Ų67.140%0.40231%0.307SS..Hα-helixtrans-65.6-42.4176.5-177171.8-17.300111.6R28 K29 T30 Q34 K35 L36R28-Q32 WeakPolarHBondContact O-CB 3.47Å; R28-Q32 PolarHBondContact O-N 3.09Å; K29-Q32 PolarHBondContact O-N 3.17Å; T30-Q32 PolarHBondContact O-N 2.85Å; Q32-Q34 VanDerWaalsContact C-N 3.31Å; Q32-Q34 PolarHBondContact O-N 2.73Å; Q32-K35 PolarHBondContact O-N 3.37Å; Q32-L36 HydrophobicContact CG-CD1 4.42Å; Q32-L36 WeakPolarHBondContact O-CG 2.98Å; Q32-L36 PolarHBondContact O-N 3.2Å
33A95.3Very high95.8Very high2 Ų267.4 Ų67.42%0.01731%0.309CS..Hα-helixtrans-61-40.4176.100000111.2K29 T30 K35 L36 R37K29-A33 WeakPolarHBondContact O-CB 3.34Å; K29-A33 PolarHBondContact O-N 3.18Å; T30-A33 PolarHBondContact O-N 3.47Å; A33-K35 PolarHBondContact O-N 3.26Å; A33-L36 PolarHBondContact O-N 3.5Å; A33-R37 VanDerWaalsContact C-NH1 3.3Å; A33-R37 VanDerWaalsContact CB-NH1 3.33Å; A33-R37 WeakPolarHBondContact O-CG 3.4Å; A33-R37 PolarHBondContact O-N 2.91Å; A33-R37 PolarHBondContact O-NH1 3.27Å
34Q95Very high95.6Very high107 Ų10763.5 Ų63.550%0.529%0.292SS..Hα-helixtrans-62-41.2174.5-68.7-59.8-1400113T30 E31 Q32 L36 R37 K38T30-Q34 WeakPolarHBondContact O-CG 3.49Å; T30-Q34 PolarHBondContact O-N 3.49Å; E31-Q34 PolarHBondContact O-N 2.92Å; Q32-Q34 VanDerWaalsContact C-N 3.31Å; Q32-Q34 PolarHBondContact O-N 2.73Å; Q34-L36 PolarHBondContact O-N 3.23Å; Q34-R37 PolarHBondContact O-N 3.34Å; Q34-K38 PolarHBondContact O-N 3.17Å
35K96.1Very high95.5Very high144 Ų14462.3 Ų62.363%0.62629%0.293SS*.Hα-helixtrans-62.1-43.4174.3-68.8175.6-176.5176.60111.7E31 Q32 A33 R37 K38 E39E31-K35 PolarHBondContact O-N 3.12Å; Q32-K35 PolarHBondContact O-N 3.37Å; A33-K35 PolarHBondContact O-N 3.26Å; K35-R37 PolarHBondContact O-N 2.96Å; K35-K38 WeakPolarHBondContact O-CB 3.42Å; K35-K38 PolarHBondContact O-N 3.3Å; K35-E39 PolarHBondContact O-N 3.4Å; K35-E39 VanDerWaalsContact O-N 3.12Å
36L95.3Very high95.3Very high33 Ų3367 Ų6717%0.17331%0.314CS..Hα-helixtrans-64.7-38.6177.7-68173.6000112Q32 A33 Q34 K38 E39 I40 I59Q32-L36 HydrophobicContact CG-CD1 4.42Å; Q32-L36 WeakPolarHBondContact O-CG 2.98Å; Q32-L36 PolarHBondContact O-N 3.2Å; A33-L36 PolarHBondContact O-N 3.5Å; Q34-L36 PolarHBondContact O-N 3.23Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.4Å; L36-E39 PolarHBondContact O-N 3.03Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.42Å; L36-I40 PolarHBondContact O-N 2.92Å; L36-I59 HydrophobicContact CB-CD1 3.5Å; L36-I59 VanDerWaalsContact CB-CD1 3.5Å; L36-I59 HydrophobicContact CB-CG1 3.85Å; L36-I59 HydrophobicContact CD1-CG1 4.28Å
37R96Very high95Very high39 Ų3968.6 Ų68.615%0.14734%0.337CS..Hα-helixtrans-59-40.3175-72.1-177.3-171.888.23.1111.6A33 Q34 K35 I40 A41 I59 D63 I166A33-R37 VanDerWaalsContact C-NH1 3.3Å; A33-R37 VanDerWaalsContact CB-NH1 3.33Å; A33-R37 WeakPolarHBondContact O-CG 3.4Å; A33-R37 PolarHBondContact O-N 2.91Å; A33-R37 PolarHBondContact O-NH1 3.27Å; Q34-R37 PolarHBondContact O-N 3.34Å; K35-R37 PolarHBondContact O-N 2.96Å; R37-I40 WeakPolarHBondContact O-CB 3.4Å; R37-I40 PolarHBondContact O-N 3.4Å; R37-A41 PolarHBondContact O-N 2.91Å; R37-I59 HydrophobicContact CB-CD1 4.34Å; R37-I59 HydrophobicContact CG-CD1 3.62Å; R37-I59 HydrophobicContact CG-CG2 4.39Å; R37-D63 IonicContact CZ-OD1 3.66Å; R37-D63 IonicContact CZ-OD2 3.63Å; R37-D63 IonicContact NH2-OD1 2.83Å; R37-D63 PolarHBondContact NH2-OD1 3.07Å; R37-D63 IonicContact NH2-OD2 2.8Å; R37-D63 PolarHBondContact NH2-OD2 3.47Å; R37-I166 HydrophobicContact CB-CG1 4.48Å; R37-I166 HydrophobicContact CG-CD1 4.06Å; R37-I166 HydrophobicContact CG-CG1 4.2Å; R37-I166 WeakPolarHBondContact O-CG2 3.43Å
38K95.2Very high94.9Very high121 Ų12166.9 Ų66.953%0.52633%0.33SS..Hα-helixtrans-62.4-46.5173.5-174.7-177.7174.7-178.30112.3Q34 K35 L36 I40 A41 E42Q34-K38 PolarHBondContact O-N 3.17Å; K35-K38 WeakPolarHBondContact O-CB 3.42Å; K35-K38 PolarHBondContact O-N 3.3Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.4Å; K38-I40 PolarHBondContact O-N 2.8Å; K38-A41 WeakPolarHBondContact O-CB 3.48Å; K38-A41 PolarHBondContact O-N 2.94Å; K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 2.95Å
39E94.9Very high94.6Very high78 Ų7862.3 Ų62.336%0.36432%0.315SS..Hα-helixtrans-62.4-31.7176.4-68.6-177.2-157.200112.9K35 L36 S43 R55K35-E39 PolarHBondContact O-N 3.4Å; K35-E39 VanDerWaalsContact O-N 3.12Å; L36-E39 PolarHBondContact O-N 3.03Å; E39-S43 PolarHBondContact O-N 2.89Å; E39-S43 PolarHBondContact O-OG 3.17Å; E39-R55 IonicContact OE2-CZ 3.72Å; E39-R55 IonicContact OE2-NH2 3.92Å
40I95.5Very high94.4Very high1 Ų167 Ų671%0.00534%0.341CS..Hα-helixtrans-68.4-47.2174-70.6175.3000109.9L36 R37 K38 E42 S43 I44 A52 R55 V56 I59 M163 I166L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.42Å; L36-I40 PolarHBondContact O-N 2.92Å; R37-I40 WeakPolarHBondContact O-CB 3.4Å; R37-I40 PolarHBondContact O-N 3.4Å; K38-I40 PolarHBondContact O-N 2.8Å; I40-E42 VanDerWaalsContact C-N 3.28Å; I40-E42 PolarHBondContact O-N 3.24Å; I40-S43 CarbonylContact O-C 3.56Å; I40-S43 WeakPolarHBondContact O-CA 3.43Å; I40-S43 VanDerWaalsContact O-CB 3.29Å; I40-S43 WeakPolarHBondContact O-CB 3.44Å; I40-S43 PolarHBondContact O-N 3.23Å; I40-I44 HydrophobicContact CG2-CD1 4.23Å; I40-I44 HydrophobicContact CG2-CG1 4.43Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; I40-I44 PolarHBondContact O-N 2.99Å; I40-A52 HydrophobicContact CG2-CB 4.22Å; I40-R55 HydrophobicContact CD1-CB 3.7Å; I40-R55 HydrophobicContact CG1-CB 3.61Å; I40-V56 HydrophobicContact CD1-CB 4.42Å; I40-V56 HydrophobicContact CD1-CG2 3.68Å; I40-V56 HydrophobicContact CG2-CG2 3.84Å; I40-I59 HydrophobicContact CD1-CD1 3.26Å; I40-I59 HydrophobicContact CD1-CG1 3.93Å; I40-I59 HydrophobicContact CG1-CD1 4.36Å; I40-M163 HydrophobicContact CG2-CE 3.6Å; I40-I166 HydrophobicContact CB-CG2 4.4Å; I40-I166 HydrophobicContact CD1-CD1 4.34Å; I40-I166 HydrophobicContact CG2-CD1 4.13Å; I40-I166 HydrophobicContact CG2-CG2 4.04Å
41A95.1Very high94.3Very high5 Ų570.5 Ų70.54%0.04135%0.347CS..Hα-helixtrans-56-42.9175.300000112.1R37 K38 S43 I44 S45 I166 H170 V172R37-A41 PolarHBondContact O-N 2.91Å; K38-A41 WeakPolarHBondContact O-CB 3.48Å; K38-A41 PolarHBondContact O-N 2.94Å; A41-S43 VanDerWaalsContact C-N 3.3Å; A41-S43 PolarHBondContact O-N 2.93Å; A41-I44 PolarHBondContact O-N 3.22Å; A41-S45 PolarHBondContact O-N 3.49Å; A41-I166 HydrophobicContact CB-CG2 4.17Å; A41-H170 HydrophobicContact CB-CB 3.62Å; A41-V172 HydrophobicContact CB-CG2 4.44Å
42E94.7Very high94.2Very high91 Ų9165.8 Ų65.843%0.42533%0.325SS..Hα-helixtrans-61.2-38.6173.1-69.1173.5-167.300111.9K38 I40 S45 Q46K38-E42 WeakPolarHBondContact O-CG 3.41Å; K38-E42 PolarHBondContact O-N 2.95Å; I40-E42 VanDerWaalsContact C-N 3.28Å; I40-E42 PolarHBondContact O-N 3.24Å; E42-S45 PolarHBondContact O-N 3Å; E42-S45 PolarHBondContact O-OG 3.47Å; E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.39Å; E42-Q46 PolarHBondContact O-N 3.14Å; E42-Q46 VanDerWaalsContact O-N 3.15Å
43S93.9Very high94.1Very high5 Ų563.4 Ų63.44%0.03531%0.313CS..Hα-helixtrans-66.7-39.1177.4-55.20000112.2E39 I40 A41 Q46 K48 R55E39-S43 PolarHBondContact O-N 2.89Å; E39-S43 PolarHBondContact O-OG 3.17Å; I40-S43 CarbonylContact O-C 3.56Å; I40-S43 WeakPolarHBondContact O-CA 3.43Å; I40-S43 VanDerWaalsContact O-CB 3.29Å; I40-S43 WeakPolarHBondContact O-CB 3.44Å; I40-S43 PolarHBondContact O-N 3.23Å; A41-S43 VanDerWaalsContact C-N 3.3Å; A41-S43 PolarHBondContact O-N 2.93Å; S43-Q46 PolarHBondContact O-N 2.82Å; S43-K48 PolarHBondContact O-N 3.02Å; S43-R55 PolarHBondContact OG-NH1 3.45Å
44I94.3Very high94Very high8 Ų868.8 Ų68.84%0.04134%0.34CS..Hα-helixtrans-62.3-48.2174.1-59.2166.6000109.7I40 A41 Q46 G47 A52 M163 I166 A167 V172 F174I40-I44 HydrophobicContact CG2-CD1 4.23Å; I40-I44 HydrophobicContact CG2-CG1 4.43Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; I40-I44 PolarHBondContact O-N 2.99Å; A41-I44 PolarHBondContact O-N 3.22Å; I44-Q46 PolarHBondContact O-N 3.34Å; I44-Q46 VanDerWaalsContact O-N 3.15Å; I44-G47 PolarHBondContact O-N 3.21Å; I44-A52 HydrophobicContact CG1-CB 4.12Å; I44-M163 HydrophobicContact CD1-CE 3.17Å; I44-M163 HydrophobicContact CG1-CE 3.48Å; I44-M163 VanDerWaalsContact CG1-CE 3.48Å; I44-I166 HydrophobicContact CD1-CG2 4.49Å; I44-A167 HydrophobicContact CD1-CB 4.08Å; I44-V172 HydrophobicContact CB-CG1 4.09Å; I44-V172 HydrophobicContact CG2-CG1 3.64Å; I44-F174 HydrophobicContact CG2-CB 4.02Å; I44-F174 HydrophobicContact CG2-CD2 3.8Å; I44-F174 HydrophobicContact CG2-CG 4.27Å
45S93.1Very high94Very high80 Ų8067 Ų6756%0.55933%0.329SS*.Hα-helixtrans-62.5-24.5-179.970.30000113.9A41 E42 G47A41-S45 PolarHBondContact O-N 3.49Å; E42-S45 PolarHBondContact O-N 3Å; E42-S45 PolarHBondContact O-OG 3.47Å; S45-G47 VanDerWaalsContact C-N 3.29Å
46Q93.6Very high94Very high112 Ų11260.1 Ų60.152%0.52330%0.299SS..THydrogen-bonded Turntrans-85.10.8176-70.2171.328.500113.1E42 S43 I44 K48E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.39Å; E42-Q46 PolarHBondContact O-N 3.14Å; E42-Q46 VanDerWaalsContact O-N 3.15Å; S43-Q46 PolarHBondContact O-N 2.82Å; I44-Q46 PolarHBondContact O-N 3.34Å; I44-Q46 VanDerWaalsContact O-N 3.15Å; Q46-K48 VanDerWaalsContact C-N 3.28Å; Q46-K48 HydrophobicContact CB-CD 4.25Å; Q46-K48 HydrophobicContact CB-CG 4.28Å; Q46-K48 PolarHBondContact O-N 3.43Å
47G90.5Very high94Very high58 Ų5861.4 Ų61.460%0.59830%0.304SS*.THydrogen-bonded Turntrans72.815.4-176.300000114.3I44 S45 E49I44-G47 PolarHBondContact O-N 3.21Å; S45-G47 VanDerWaalsContact C-N 3.29Å; G47-E49 VanDerWaalsContact C-N 3.32Å; G47-E49 PolarHBondContact O-N 3.01Å
48K93.2Very high93.9Very high95 Ų9563.6 Ų63.641%0.41332%0.316SS..  trans-94.357.4-178.3-63.9173.5-175.2159.80111.1S43 Q46 D50 R51 A52S43-K48 PolarHBondContact O-N 3.02Å; Q46-K48 VanDerWaalsContact C-N 3.28Å; Q46-K48 HydrophobicContact CB-CD 4.25Å; Q46-K48 HydrophobicContact CB-CG 4.28Å; Q46-K48 PolarHBondContact O-N 3.43Å; K48-D50 PolarHBondContact O-N 3.41Å; K48-R51 HydrophobicContact CB-CB 4.33Å; K48-R51 PolarHBondContact O-N 3.27Å; K48-A52 PolarHBondContact O-N 3.2Å; K48-A52 VanDerWaalsContact O-N 3.07Å
49E91.7Very high93.8Very high64 Ų6457.9 Ų57.930%0.29929%0.291SS..Hα-helixtrans-62-40.8-171.8-60.8-177.5-177.100113.3G47 R51 A52 R53 F174G47-E49 VanDerWaalsContact C-N 3.32Å; G47-E49 PolarHBondContact O-N 3.01Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.41Å; E49-A52 CarbonylContact O-C 3.31Å; E49-A52 WeakPolarHBondContact O-CA 3.31Å; E49-A52 VanDerWaalsContact O-CB 3.31Å; E49-A52 WeakPolarHBondContact O-CB 3.45Å; E49-A52 PolarHBondContact O-N 3.11Å; E49-R53 WeakPolarHBondContact O-CG 3.49Å; E49-R53 PolarHBondContact O-N 3.41Å; E49-R53 IonicContact OE2-CZ 3.17Å; E49-R53 IonicContact OE2-NH1 2.84Å; E49-R53 IonicContact OE2-NH2 2.8Å; E49-R53 PolarHBondContact OE2-NH2 3.02Å; E49-F174 HydrophobicContact CG-CE2 4.28Å
50D91.9Very high93.8Very high118 Ų11854.1 Ų54.163%0.63127%0.274SS*.Hα-helixtrans-63.5-38.6-179.3-63.2-35.8000112.1K48 A52 R53 I54K48-D50 PolarHBondContact O-N 3.41Å; D50-A52 VanDerWaalsContact C-N 3.31Å; D50-R53 PolarHBondContact O-N 3.26Å; D50-R53 IonicContact OD1-NH1 3.51Å; D50-R53 PolarHBondContact OD1-NH1 3.1Å; D50-I54 WeakPolarHBondContact O-CG1 3.41Å; D50-I54 PolarHBondContact O-N 2.83Å
51R92.5Very high93.7Very high134 Ų13459.7 Ų59.751%0.50629%0.294SS..Hα-helixtrans-66.5-36.9173.3-173178.8179.8177.6-1.4111.2K48 E49 R55K48-R51 HydrophobicContact CB-CB 4.33Å; K48-R51 PolarHBondContact O-N 3.27Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.41Å; R51-R55 WeakPolarHBondContact O-CG 3.21Å; R51-R55 PolarHBondContact O-N 3.48Å
52A94.9Very high93.6Very high0 Ų061.4 Ų61.40%030%0.302CS..Hα-helixtrans-64.7-45.1176.600000111.2I40 I44 K48 E49 D50 I54 R55 V56 M163I40-A52 HydrophobicContact CG2-CB 4.22Å; I44-A52 HydrophobicContact CG1-CB 4.12Å; K48-A52 PolarHBondContact O-N 3.2Å; K48-A52 VanDerWaalsContact O-N 3.07Å; E49-A52 CarbonylContact O-C 3.31Å; E49-A52 WeakPolarHBondContact O-CA 3.31Å; E49-A52 VanDerWaalsContact O-CB 3.31Å; E49-A52 WeakPolarHBondContact O-CB 3.45Å; E49-A52 PolarHBondContact O-N 3.11Å; D50-A52 VanDerWaalsContact C-N 3.31Å; A52-I54 PolarHBondContact O-N 3Å; A52-R55 CarbonylContact O-C 3.54Å; A52-R55 WeakPolarHBondContact O-CB 3.35Å; A52-R55 PolarHBondContact O-N 3.46Å; A52-R55 VanDerWaalsContact O-N 3.11Å; A52-V56 WeakPolarHBondContact O-CG2 3.49Å; A52-V56 PolarHBondContact O-N 3.19Å; A52-M163 HydrophobicContact CB-CE 3.99Å; A52-M163 HydrophobicContact CB-SD 3.85Å
53R94Very high93.6Very high36 Ų3658.2 Ų58.214%0.13629%0.288CS..Hα-helixtrans-57.4-46177.2-69.4177.2-173.198.315.9112.5E49 D50 R55 V56 E57 V159 E160 M163 N177E49-R53 WeakPolarHBondContact O-CG 3.49Å; E49-R53 PolarHBondContact O-N 3.41Å; E49-R53 IonicContact OE2-CZ 3.17Å; E49-R53 IonicContact OE2-NH1 2.84Å; E49-R53 IonicContact OE2-NH2 2.8Å; E49-R53 PolarHBondContact OE2-NH2 3.02Å; D50-R53 PolarHBondContact O-N 3.26Å; D50-R53 IonicContact OD1-NH1 3.51Å; D50-R53 PolarHBondContact OD1-NH1 3.1Å; R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 3.02Å; R53-V56 WeakPolarHBondContact O-CB 3.35Å; R53-V56 PolarHBondContact O-N 2.92Å; R53-E57 PolarHBondContact O-N 3.44Å; R53-V159 HydrophobicContact CB-CG1 4.11Å; R53-V159 HydrophobicContact CG-CG1 4.3Å; R53-E160 IonicContact CZ-OE1 3.95Å; R53-E160 IonicContact NE-OE1 3.6Å; R53-E160 PolarHBondContact NE-OE1 2.86Å; R53-E160 IonicContact NH2-OE1 3.76Å; R53-M163 HydrophobicContact CG-CG 4.45Å; R53-M163 HydrophobicContact CG-SD 4.03Å; R53-N177 PolarHBondContact NE-ND2 2.84Å; R53-N177 PolarHBondContact NH2-ND2 3.36Å
54I93.7Very high93.6Very high116 Ų11661.3 Ų61.360%0.59530%0.299SS*.Hα-helixtrans-62-40.7176.8-63.7167.6000111.1D50 A52 E57 H58D50-I54 WeakPolarHBondContact O-CG1 3.41Å; D50-I54 PolarHBondContact O-N 2.83Å; A52-I54 PolarHBondContact O-N 3Å; I54-E57 PolarHBondContact O-N 3.46Å; I54-H58 PolarHBondContact O-N 3.02Å
55R94.2Very high93.6Very high68 Ų6862.1 Ų62.126%0.25731%0.305SS..Hα-helixtrans-67.6-36.4176.2-74.2176165.1-173.1-18.4112.2E39 I40 S43 R51 A52 R53 H58 I59E39-R55 IonicContact OE2-CZ 3.72Å; E39-R55 IonicContact OE2-NH2 3.92Å; I40-R55 HydrophobicContact CD1-CB 3.7Å; I40-R55 HydrophobicContact CG1-CB 3.61Å; S43-R55 PolarHBondContact OG-NH1 3.45Å; R51-R55 WeakPolarHBondContact O-CG 3.21Å; R51-R55 PolarHBondContact O-N 3.48Å; A52-R55 CarbonylContact O-C 3.54Å; A52-R55 WeakPolarHBondContact O-CB 3.35Å; A52-R55 PolarHBondContact O-N 3.46Å; A52-R55 VanDerWaalsContact O-N 3.11Å; R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 3.02Å; R55-H58 WeakPolarHBondContact O-CB 2.97Å; R55-H58 PolarHBondContact O-N 3.18Å; R55-I59 PolarHBondContact O-N 3.03Å; R55-I59 VanDerWaalsContact O-N 3.1Å
56V96Very high93.7Very high0 Ų058.8 Ų58.80%028%0.281CS..Hα-helixtrans-62.9-41.9175.1167.90000111I40 A52 R53 H58 I59 I60 V159 Y162 M163 I166I40-V56 HydrophobicContact CD1-CB 4.42Å; I40-V56 HydrophobicContact CD1-CG2 3.68Å; I40-V56 HydrophobicContact CG2-CG2 3.84Å; A52-V56 WeakPolarHBondContact O-CG2 3.49Å; A52-V56 PolarHBondContact O-N 3.19Å; R53-V56 WeakPolarHBondContact O-CB 3.35Å; R53-V56 PolarHBondContact O-N 2.92Å; V56-H58 PolarHBondContact O-N 2.65Å; V56-I59 PolarHBondContact O-N 2.95Å; V56-I59 VanDerWaalsContact O-N 3.08Å; V56-I60 HydrophobicContact CG1-CD1 3.76Å; V56-I60 HydrophobicContact CG1-CG1 4.22Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.36Å; V56-V159 HydrophobicContact CB-CG1 4.18Å; V56-V159 HydrophobicContact CG1-CB 4.4Å; V56-V159 HydrophobicContact CG1-CG1 3.9Å; V56-Y162 VanDerWaalsContact CG1-CB 3.42Å; V56-Y162 HydrophobicContact CG1-CD1 4.38Å; V56-Y162 HydrophobicContact CG1-CG 4.16Å; V56-M163 HydrophobicContact CG2-CE 3.88Å; V56-M163 HydrophobicContact CG2-CG 3.96Å; V56-M163 HydrophobicContact CG2-SD 3.75Å; V56-I166 HydrophobicContact CG2-CD1 4.04Å
57E94.5Very high93.7Very high61 Ų6157 Ų5729%0.28527%0.273SS..Hα-helixtrans-55.8-38174.4-73-176.6-147.300112.4R53 I54 R61 V159R53-E57 PolarHBondContact O-N 3.44Å; I54-E57 PolarHBondContact O-N 3.46Å; E57-R61 WeakPolarHBondContact O-CG 3.39Å; E57-R61 PolarHBondContact O-N 3Å; E57-R61 IonicContact OE2-NH2 2.92Å; E57-V159 HydrophobicContact CG-CG2 3.66Å
58H93.6Very high93.9Very high84 Ų8454.2 Ų54.239%0.38925%0.245SC..Hα-helixtrans-67.6-44.5175.6179.850.9000111.9I54 R55 V56 I60 R61 E62I54-H58 PolarHBondContact O-N 3.02Å; R55-H58 WeakPolarHBondContact O-CB 2.97Å; R55-H58 PolarHBondContact O-N 3.18Å; V56-H58 PolarHBondContact O-N 2.65Å; H58-I60 VanDerWaalsContact C-N 3.34Å; H58-I60 PolarHBondContact O-N 3.31Å; H58-R61 PolarHBondContact O-N 3.32Å; H58-E62 IonicContact CE1-OE1 3.76Å; H58-E62 PolarHBondContact CE1-OE1 2.71Å; H58-E62 VanDerWaalsContact CE1-OE1 3.24Å; H58-E62 IonicContact NE2-OE1 3.84Å; H58-E62 PolarHBondContact O-N 3.43Å
59I95Very high94Very high1 Ų149.7 Ų49.71%0.00523%0.225CC..Hα-helixtrans-60.7-43176.9-64.8-169.3000111.5L36 R37 I40 R55 V56 R61 E62 D63L36-I59 HydrophobicContact CB-CD1 3.5Å; L36-I59 VanDerWaalsContact CB-CD1 3.5Å; L36-I59 HydrophobicContact CB-CG1 3.85Å; L36-I59 HydrophobicContact CD1-CG1 4.28Å; R37-I59 HydrophobicContact CB-CD1 4.34Å; R37-I59 HydrophobicContact CG-CD1 3.62Å; R37-I59 HydrophobicContact CG-CG2 4.39Å; I40-I59 HydrophobicContact CD1-CD1 3.26Å; I40-I59 HydrophobicContact CD1-CG1 3.93Å; I40-I59 HydrophobicContact CG1-CD1 4.36Å; R55-I59 PolarHBondContact O-N 3.03Å; R55-I59 VanDerWaalsContact O-N 3.1Å; V56-I59 PolarHBondContact O-N 2.95Å; V56-I59 VanDerWaalsContact O-N 3.08Å; I59-R61 PolarHBondContact O-N 2.86Å; I59-E62 PolarHBondContact O-N 3.36Å; I59-E62 VanDerWaalsContact O-N 3.07Å; I59-D63 PolarHBondContact O-N 3.5Å
60I94.9Very high94.1Very high0 Ų051.6 Ų51.60%023%0.234CC..Hα-helixtrans-57.6-40.7177.8-67164.6000110.8V56 H58 D63 Y64 P154 L158 V159 Y162V56-I60 HydrophobicContact CG1-CD1 3.76Å; V56-I60 HydrophobicContact CG1-CG1 4.22Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.36Å; H58-I60 VanDerWaalsContact C-N 3.34Å; H58-I60 PolarHBondContact O-N 3.31Å; I60-D63 PolarHBondContact O-N 3.32Å; I60-Y64 HydrophobicContact CG2-CD2 4.24Å; I60-Y64 HydrophobicContact CG2-CE2 3.84Å; I60-Y64 PolarHBondContact O-N 3.49Å; I60-P154 HydrophobicContact CB-CG 4.11Å; I60-P154 HydrophobicContact CD1-CB 4.03Å; I60-P154 HydrophobicContact CD1-CG 4.42Å; I60-P154 HydrophobicContact CG2-CB 4.01Å; I60-P154 HydrophobicContact CG2-CG 3.76Å; I60-L158 HydrophobicContact CD1-CD2 4.37Å; I60-L158 HydrophobicContact CD1-CG 4.11Å; I60-L158 HydrophobicContact CG2-CD2 3.86Å; I60-V159 HydrophobicContact CD1-CG2 3.91Å; I60-Y162 HydrophobicContact CD1-CD1 4.39Å; I60-Y162 HydrophobicContact CD1-CD2 4.08Å; I60-Y162 HydrophobicContact CD1-CE2 4.46Å; I60-Y162 HydrophobicContact CD1-CG 4.05Å; I60-Y162 HydrophobicContact CG1-CD1 3.68Å; I60-Y162 HydrophobicContact CG1-CD2 3.96Å; I60-Y162 HydrophobicContact CG1-CE1 3.68Å; I60-Y162 HydrophobicContact CG1-CE2 3.97Å; I60-Y162 HydrophobicContact CG1-CG 3.82Å
61R93.4Very high94.3Very high117 Ų11747.3 Ų47.344%0.44221%0.21SC..Hα-helixtrans-68.3-38.5176.7-66.9177.9-162.1-172.76.7112.3E57 H58 I59 S65E57-R61 WeakPolarHBondContact O-CG 3.39Å; E57-R61 PolarHBondContact O-N 3Å; E57-R61 IonicContact OE2-NH2 2.92Å; H58-R61 PolarHBondContact O-N 3.32Å; I59-R61 PolarHBondContact O-N 2.86Å; R61-S65 PolarHBondContact O-N 2.9Å
62E93.1Very high94.4Very high42 Ų4240.9 Ų40.920%0.19619%0.186CC..Hα-helixtrans-65.2-41.4174.9-69.9-60.215000111.5K29 H58 I59 S65 V66K29-E62 IonicContact NZ-OE2 3.77Å; H58-E62 IonicContact CE1-OE1 3.76Å; H58-E62 PolarHBondContact CE1-OE1 2.71Å; H58-E62 VanDerWaalsContact CE1-OE1 3.24Å; H58-E62 IonicContact NE2-OE1 3.84Å; H58-E62 PolarHBondContact O-N 3.43Å; I59-E62 PolarHBondContact O-N 3.36Å; I59-E62 VanDerWaalsContact O-N 3.07Å; E62-S65 CarbonylContact O-C 3.58Å; E62-S65 WeakPolarHBondContact O-CA 3.46Å; E62-S65 VanDerWaalsContact O-CB 3.3Å; E62-S65 WeakPolarHBondContact O-CB 3.3Å; E62-S65 PolarHBondContact O-N 3.44Å; E62-S65 VanDerWaalsContact O-N 3.07Å; E62-V66 WeakPolarHBondContact O-CG2 3.39Å; E62-V66 PolarHBondContact O-N 2.78Å
63D94.5Very high94.4Very high24 Ų2442.1 Ų42.113%0.12819%0.192CC..Hα-helixtrans-63.1-44.8176.8-69.7-18.1000111.2R37 I59 I60 S65 V66 E67 Y162R37-D63 IonicContact CZ-OD1 3.66Å; R37-D63 IonicContact CZ-OD2 3.63Å; R37-D63 IonicContact NH2-OD1 2.83Å; R37-D63 PolarHBondContact NH2-OD1 3.07Å; R37-D63 IonicContact NH2-OD2 2.8Å; R37-D63 PolarHBondContact NH2-OD2 3.47Å; I59-D63 PolarHBondContact O-N 3.5Å; I60-D63 PolarHBondContact O-N 3.32Å; D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 PolarHBondContact O-N 3.35Å; D63-V66 PolarHBondContact O-N 3.41Å; D63-V66 VanDerWaalsContact O-N 3.13Å; D63-E67 PolarHBondContact O-N 2.97Å; D63-Y162 WeakPolarHBondContact OD2-CE1 3.43Å
64Y94.2Very high94.5Very high70 Ų7045.3 Ų45.328%0.27521%0.21SC..Hα-helixtrans-61.5-34.2171.6-71.1-16.9000112.9I60 A68 K148 L158I60-Y64 HydrophobicContact CG2-CD2 4.24Å; I60-Y64 HydrophobicContact CG2-CE2 3.84Å; I60-Y64 PolarHBondContact O-N 3.49Å; Y64-A68 WeakPolarHBondContact O-CB 3.44Å; Y64-A68 PolarHBondContact O-N 3.26Å; Y64-K148 HydrophobicContact CD1-CD 3.55Å; Y64-K148 HydrophobicContact CE1-CD 4.17Å; Y64-K148 HydrophobicContact CG-CD 3.89Å; Y64-L158 VanDerWaalsContact OH-CD2 3.31Å; Y64-L158 WeakPolarHBondContact OH-CD2 3.5Å
65S92.6Very high94.6Very high25 Ų2540.2 Ų40.218%0.17518%0.184CC..Hα-helixtrans-65.8-41.5173.3-175.90000111.5K29 R61 E62 D63 A68 L69K29-S65 PolarHBondContact NZ-OG 3.38Å; R61-S65 PolarHBondContact O-N 2.9Å; E62-S65 CarbonylContact O-C 3.58Å; E62-S65 WeakPolarHBondContact O-CA 3.46Å; E62-S65 VanDerWaalsContact O-CB 3.3Å; E62-S65 WeakPolarHBondContact O-CB 3.3Å; E62-S65 PolarHBondContact O-N 3.44Å; E62-S65 VanDerWaalsContact O-N 3.07Å; D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 PolarHBondContact O-N 3.35Å; S65-A68 PolarHBondContact O-N 2.83Å; S65-L69 VanDerWaalsContact O-CG 3.25Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 3.41Å
66V94.9Very high94.6Very high9 Ų937 Ų376%0.05517%0.172CC..Hα-helixtrans-63.4-48.9177.1174.50000110.3K29 E62 D63 A68 L69 E70K29-V66 HydrophobicContact CB-CG2 3.47Å; K29-V66 VanDerWaalsContact CB-CG2 3.47Å; K29-V66 HydrophobicContact CD-CG2 4.23Å; K29-V66 HydrophobicContact CG-CG2 4.48Å; E62-V66 WeakPolarHBondContact O-CG2 3.39Å; E62-V66 PolarHBondContact O-N 2.78Å; D63-V66 PolarHBondContact O-N 3.41Å; D63-V66 VanDerWaalsContact O-N 3.13Å; V66-A68 VanDerWaalsContact C-N 3.25Å; V66-A68 PolarHBondContact O-N 3.06Å; V66-L69 WeakPolarHBondContact O-CB 3.44Å; V66-L69 PolarHBondContact O-N 3.42Å; V66-E70 PolarHBondContact O-N 3.33Å
67E94.3Very high94.6Very high75 Ų7540.9 Ų40.935%0.3519%0.19SC..Hα-helixtrans-57.5-38.3175.6-71-175.3-122.900112.4D63 L71 K148D63-E67 PolarHBondContact O-N 2.97Å; E67-L71 WeakPolarHBondContact O-CG 3.37Å; E67-L71 PolarHBondContact O-N 2.89Å; E67-L71 VanDerWaalsContact O-N 3.15Å; E67-K148 HydrophobicContact CB-CD 4.29Å; E67-K148 IonicContact OE1-NZ 2.66Å; E67-K148 PolarHBondContact OE1-NZ 3.35Å; E67-K148 WeakPolarHBondContact OE2-CE 3.49Å; E67-K148 IonicContact OE2-NZ 2.6Å; E67-K148 PolarHBondContact OE2-NZ 3.27Å
68A94.6Very high94.5Very high0 Ų040.7 Ų40.70%019%0.19CC..Hα-helixtrans-67.5-36.4176.200000112.8Y64 S65 V66 L71 I72 L145 K148 L149Y64-A68 WeakPolarHBondContact O-CB 3.44Å; Y64-A68 PolarHBondContact O-N 3.26Å; S65-A68 PolarHBondContact O-N 2.83Å; V66-A68 VanDerWaalsContact C-N 3.25Å; V66-A68 PolarHBondContact O-N 3.06Å; A68-L71 PolarHBondContact O-N 3.49Å; A68-I72 WeakPolarHBondContact O-CD1 3.47Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.21Å; A68-I72 PolarHBondContact O-N 3.24Å; A68-I72 VanDerWaalsContact O-N 3.13Å; A68-L145 HydrophobicContact CB-CD1 4.07Å; A68-K148 HydrophobicContact CB-CB 4.07Å; A68-L149 HydrophobicContact CB-CD1 4.43Å; A68-L149 HydrophobicContact CB-CD2 3.6Å; A68-L149 HydrophobicContact CB-CG 3.77Å
69L95Very high94.5Very high0 Ų036.8 Ų36.80%017%0.172CC..Hα-helixtrans-65.1-44.5175.7-68169.7000110.8L22 L25 E26 K29 S65 V66 L71 I72 E73 I107L22-L69 HydrophobicContact CD2-CB 4.31Å; L22-L69 HydrophobicContact CD2-CD2 3.57Å; L25-L69 HydrophobicContact CB-CD1 4.2Å; E26-L69 HydrophobicContact CG-CB 3.77Å; E26-L69 HydrophobicContact CG-CD1 4.41Å; E26-L69 VanDerWaalsContact OE1-C 3.26Å; K29-L69 HydrophobicContact CD-CD1 4Å; S65-L69 VanDerWaalsContact O-CG 3.25Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 3.41Å; V66-L69 WeakPolarHBondContact O-CB 3.44Å; V66-L69 PolarHBondContact O-N 3.42Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.19Å; L69-I72 PolarHBondContact O-N 2.85Å; L69-E73 PolarHBondContact O-N 3.16Å; L69-I107 HydrophobicContact CD2-CD1 4.46Å; L69-I107 HydrophobicContact CD2-CG2 4.06Å
70E95.2Very high94.4Very high103 Ų10338.6 Ų38.648%0.48118%0.182SC..Hα-helixtrans-59.6-41.3177.1-69.1176.3-178.900111.7E26 V66 E73 M74E26-E70 HydrophobicContact CG-CG 4.25Å; E26-E70 WeakPolarHBondContact OE1-CA 3.18Å; E26-E70 PolarHBondContact OE1-N 3.23Å; V66-E70 PolarHBondContact O-N 3.33Å; E70-E73 PolarHBondContact O-N 3.47Å; E70-M74 PolarHBondContact O-N 3.27Å
71L95.4Very high94.4Very high28 Ų2842.5 Ų42.515%0.14721%0.214CC..Hα-helixtrans-61.9-43.7174.5-71.8177.5000111.7E67 A68 L69 M74 L75 K144 L145E67-L71 WeakPolarHBondContact O-CG 3.37Å; E67-L71 PolarHBondContact O-N 2.89Å; E67-L71 VanDerWaalsContact O-N 3.15Å; A68-L71 PolarHBondContact O-N 3.49Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.19Å; L71-M74 HydrophobicContact CD2-CE 3.53Å; L71-M74 PolarHBondContact O-N 3.07Å; L71-L75 WeakPolarHBondContact O-CD1 3.42Å; L71-L75 WeakPolarHBondContact O-CG 3.18Å; L71-L75 PolarHBondContact O-N 3Å; L71-L75 VanDerWaalsContact O-N 3.12Å; L71-K144 HydrophobicContact CD1-CB 3.87Å; L71-L145 HydrophobicContact CB-CD1 4.23Å; L71-L145 HydrophobicContact CD1-CB 4.17Å; L71-L145 HydrophobicContact CD1-CD1 4.44Å
72I94.8Very high94.2Very high0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-68.8-37.8179.4-67.1163.3000111.2L22 A68 L69 L75 C76 A103 I107 L114 L145 L149L22-I72 HydrophobicContact CD1-CG2 3.96Å; A68-I72 WeakPolarHBondContact O-CD1 3.47Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.21Å; A68-I72 PolarHBondContact O-N 3.24Å; A68-I72 VanDerWaalsContact O-N 3.13Å; L69-I72 PolarHBondContact O-N 2.85Å; I72-L75 PolarHBondContact O-N 2.88Å; I72-C76 PolarHBondContact O-N 3.07Å; I72-C76 PolarHBondContact O-SG 2.84Å; I72-A103 HydrophobicContact CD1-CB 3.75Å; I72-A103 HydrophobicContact CG1-CB 4.22Å; I72-I107 HydrophobicContact CD1-CD1 3.1Å; I72-L114 HydrophobicContact CG2-CD1 4.3Å; I72-L114 HydrophobicContact CG2-CD2 4.38Å; I72-L145 HydrophobicContact CD1-CD1 4.03Å; I72-L145 HydrophobicContact CG1-CD1 3.82Å; I72-L145 HydrophobicContact CG1-CD2 4.18Å; I72-L149 HydrophobicContact CD1-CD1 4.42Å
73E95.2Very high94.1Very high26 Ų2641 Ų4112%0.12121%0.207CC..Hα-helixtrans-56.6-54.7174176.1178.3136.500110.4V19 L22 K23 L69 E70 L75 C76 E77V19-E73 HydrophobicContact CG1-CG 4.27Å; L22-E73 HydrophobicContact CB-CB 4.19Å; L22-E73 HydrophobicContact CD1-CB 4.05Å; K23-E73 WeakPolarHBondContact CE-OE1 3.17Å; K23-E73 WeakPolarHBondContact CG-OE2 3.38Å; K23-E73 PolarHBondContact N-OE2 3.27Å; K23-E73 IonicContact NZ-OE1 2.68Å; L69-E73 PolarHBondContact O-N 3.16Å; E70-E73 PolarHBondContact O-N 3.47Å; E73-L75 VanDerWaalsContact C-N 3.25Å; E73-L75 PolarHBondContact O-N 3.28Å; E73-C76 WeakPolarHBondContact O-CA 3.06Å; E73-C76 WeakPolarHBondContact O-CB 3.22Å; E73-C76 PolarHBondContact O-N 3.17Å; E73-E77 HydrophobicContact CG-CG 4.43Å; E73-E77 PolarHBondContact O-N 3.3Å
74M95.8Very high93.8Very high102 Ų10246.3 Ų46.350%0.50224%0.236SC..Hα-helixtrans-54.8-41.5178.1172.4-177.239.500111.8E70 L71 E77 L78E70-M74 PolarHBondContact O-N 3.27Å; L71-M74 HydrophobicContact CD2-CE 3.53Å; L71-M74 PolarHBondContact O-N 3.07Å; M74-E77 PolarHBondContact O-N 3.44Å; M74-L78 WeakPolarHBondContact O-CB 3.39Å; M74-L78 PolarHBondContact O-N 2.96Å
75L94.4Very high93.4Very high10 Ų1046.1 Ų46.15%0.05224%0.239CC..Hα-helixtrans-67.7-37.8177.6-64165.3000111.9L71 I72 E73 L78 L79 A96 I100 L145L71-L75 WeakPolarHBondContact O-CD1 3.42Å; L71-L75 WeakPolarHBondContact O-CG 3.18Å; L71-L75 PolarHBondContact O-N 3Å; L71-L75 VanDerWaalsContact O-N 3.12Å; I72-L75 PolarHBondContact O-N 2.88Å; E73-L75 VanDerWaalsContact C-N 3.25Å; E73-L75 PolarHBondContact O-N 3.28Å; L75-L78 PolarHBondContact O-N 3.13Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 3.35Å; L75-A96 HydrophobicContact CB-CB 4.4Å; L75-A96 HydrophobicContact CD2-CB 3.94Å; L75-I100 HydrophobicContact CB-CD1 3.92Å; L75-I100 HydrophobicContact CB-CG1 4.06Å; L75-L145 HydrophobicContact CD1-CD2 4.37Å
76C94.9Very high92.9Very high0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-66.9-39.7174.7-67.60000111.6L15 V19 I72 E73 L79 L80L15-C76 HydrophobicContact CD2-CB 4.22Å; V19-C76 HydrophobicContact CG2-CB 3.69Å; I72-C76 PolarHBondContact O-N 3.07Å; I72-C76 PolarHBondContact O-SG 2.84Å; E73-C76 WeakPolarHBondContact O-CA 3.06Å; E73-C76 WeakPolarHBondContact O-CB 3.22Å; E73-C76 PolarHBondContact O-N 3.17Å; C76-L79 PolarHBondContact O-N 3.04Å; C76-L80 WeakPolarHBondContact O-CG 3.35Å; C76-L80 PolarHBondContact O-N 3.36Å
77E95.5Very high92Very high81 Ų8150.5 Ų50.538%0.37926%0.256SS..Hα-helixtrans-64.3-40.8173.9-70.4-167.1160.900111.4V19 K23 E73 M74 L79 L80 A81V19-E77 HydrophobicContact CG1-CG 4Å; V19-E77 HydrophobicContact CG2-CG 3.85Å; K23-E77 IonicContact NZ-OE1 2.65Å; K23-E77 PolarHBondContact NZ-OE1 3.15Å; E73-E77 HydrophobicContact CG-CG 4.43Å; E73-E77 PolarHBondContact O-N 3.3Å; M74-E77 PolarHBondContact O-N 3.44Å; E77-L79 PolarHBondContact O-N 2.93Å; E77-L80 WeakPolarHBondContact O-CB 3.1Å; E77-L80 PolarHBondContact O-N 3.08Å; E77-L80 VanDerWaalsContact O-N 3.15Å; E77-A81 WeakPolarHBondContact O-CB 3.37Å; E77-A81 PolarHBondContact O-N 3.23Å
78L93.5Very high91.2Very high57 Ų5753.2 Ų53.230%0.29827%0.271SS..Hα-helixtrans-59.9-44.8173.8177.660.4000112M74 L75 L80 A81 R82 L93 A96M74-L78 WeakPolarHBondContact O-CB 3.39Å; M74-L78 PolarHBondContact O-N 2.96Å; L75-L78 PolarHBondContact O-N 3.13Å; L78-L80 VanDerWaalsContact C-N 3.31Å; L78-L80 PolarHBondContact O-N 3.12Å; L78-A81 PolarHBondContact O-N 3.03Å; L78-R82 PolarHBondContact O-N 3.14Å; L78-R82 VanDerWaalsContact O-N 3.11Å; L78-L93 HydrophobicContact CG-CD2 4.4Å; L78-A96 HydrophobicContact CD2-CB 4.07Å
79L92.6Very high90.5Very high3 Ų355.8 Ų55.82%0.01628%0.284CS..Hα-helixtrans-63-36.1174.5-72-169.7000112.6L15 L75 C76 E77 R82 F83 L93 A96 V97 I100L15-L79 HydrophobicContact CD1-CB 4.23Å; L15-L79 HydrophobicContact CD2-CB 4.35Å; L15-L79 HydrophobicContact CD2-CD1 4.22Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 3.35Å; C76-L79 PolarHBondContact O-N 3.04Å; E77-L79 PolarHBondContact O-N 2.93Å; L79-R82 CarbonylContact O-C 3.59Å; L79-F83 WeakPolarHBondContact O-CA 3.43Å; L79-F83 WeakPolarHBondContact O-CB 3.23Å; L79-F83 PolarHBondContact O-N 2.88Å; L79-L93 HydrophobicContact CD2-CD2 3.91Å; L79-A96 HydrophobicContact CD2-CB 3.99Å; L79-A96 HydrophobicContact CG-CB 4.26Å; L79-V97 HydrophobicContact CD1-CG2 4.49Å; L79-V97 HydrophobicContact CD2-CG2 3.82Å; L79-I100 HydrophobicContact CD1-CD1 3.39Å; L79-I100 HydrophobicContact CG-CD1 3.99Å
80L93.7Very high89.9Confident39 Ų3959.5 Ų59.520%0.20430%0.304CS..Hα-helixtrans-69.6-39.7175.6-79.7171.8000112.5K12 L15 R16 V19 C76 E77 L78 R82 F83K12-L80 HydrophobicContact CG-CD2 4.08Å; L15-L80 HydrophobicContact CB-CD1 4.07Å; L15-L80 HydrophobicContact CB-CD2 3.61Å; L15-L80 HydrophobicContact CB-CG 3.73Å; L15-L80 HydrophobicContact CD1-CD2 4.11Å; L15-L80 HydrophobicContact CD1-CG 4.31Å; R16-L80 HydrophobicContact CG-CD1 3.89Å; R16-L80 HydrophobicContact CG-CD2 3.96Å; V19-L80 HydrophobicContact CG2-CD1 4.13Å; C76-L80 WeakPolarHBondContact O-CG 3.35Å; C76-L80 PolarHBondContact O-N 3.36Å; E77-L80 WeakPolarHBondContact O-CB 3.1Å; E77-L80 PolarHBondContact O-N 3.08Å; E77-L80 VanDerWaalsContact O-N 3.15Å; L78-L80 VanDerWaalsContact C-N 3.31Å; L78-L80 PolarHBondContact O-N 3.12Å; L80-R82 VanDerWaalsContact C-N 3.32Å; L80-R82 PolarHBondContact O-N 3.48Å; L80-F83 WeakPolarHBondContact O-CB 3.39Å; L80-F83 PolarHBondContact O-N 3.26Å
81A93.7Very high89.2Confident82 Ų8261 Ų6168%0.67832%0.315SS*.Hα-helixtrans-65.6-36.3179.600000112.1E77 L78E77-A81 WeakPolarHBondContact O-CB 3.37Å; E77-A81 PolarHBondContact O-N 3.23Å; L78-A81 PolarHBondContact O-N 3.03Å
82R91.2Very high88.6Confident110 Ų11061.3 Ų61.342%0.41533%0.325SS..THydrogen-bonded Turntrans-11030.5179.3-62.3-175.9-176.4-177.43.2112.5L78 L79 L80 D84 L85 L93L78-R82 PolarHBondContact O-N 3.14Å; L78-R82 VanDerWaalsContact O-N 3.11Å; L79-R82 CarbonylContact O-C 3.59Å; L80-R82 VanDerWaalsContact C-N 3.32Å; L80-R82 PolarHBondContact O-N 3.48Å; R82-D84 PolarHBondContact O-N 3.37Å; R82-D84 VanDerWaalsContact O-N 3.14Å; R82-L85 HydrophobicContact CB-CD1 4.36Å; R82-L85 WeakPolarHBondContact O-CB 3.43Å; R82-L85 PolarHBondContact O-N 2.94Å; R82-L93 HydrophobicContact CB-CD1 4.2Å; R82-L93 HydrophobicContact CB-CD2 3.88Å; R82-L93 HydrophobicContact CB-CG 4.42Å
83F90.3Very high88.4Confident16 Ų1661.3 Ų61.37%0.0733%0.325CS..G310 helixtrans-58.9-32.3-173.3-167.9-95.8000113.1Y8 L11 K12 L15 L79 L80 L85 I86Y8-F83 HydrophobicContact CD1-CZ 4.33Å; Y8-F83 VanDerWaalsContact O-CZ 3.3Å; Y8-F83 WeakPolarHBondContact O-CZ 3.47Å; L11-F83 HydrophobicContact CB-CE2 4.39Å; L11-F83 HydrophobicContact CB-CZ 4.28Å; L11-F83 HydrophobicContact CD2-CE2 3.94Å; L11-F83 HydrophobicContact CD2-CZ 4.18Å; L11-F83 HydrophobicContact CG-CE2 3.89Å; L11-F83 HydrophobicContact CG-CZ 4.23Å; K12-F83 HydrophobicContact CB-CD1 4.49Å; K12-F83 HydrophobicContact CB-CD2 4.43Å; K12-F83 HydrophobicContact CB-CE1 3.97Å; K12-F83 HydrophobicContact CB-CE2 3.92Å; K12-F83 HydrophobicContact CB-CZ 3.67Å; K12-F83 HydrophobicContact CD-CD1 3.98Å; K12-F83 HydrophobicContact CD-CE1 4.12Å; K12-F83 HydrophobicContact CD-CG 4.36Å; K12-F83 HydrophobicContact CG-CD1 4.41Å; K12-F83 HydrophobicContact CG-CD2 4.45Å; K12-F83 HydrophobicContact CG-CE1 4.37Å; K12-F83 HydrophobicContact CG-CE2 4.42Å; K12-F83 HydrophobicContact CG-CG 4.44Å; K12-F83 HydrophobicContact CG-CZ 4.39Å; L15-F83 HydrophobicContact CD1-CD2 3.99Å; L15-F83 HydrophobicContact CD1-CE2 3.89Å; L79-F83 WeakPolarHBondContact O-CA 3.43Å; L79-F83 WeakPolarHBondContact O-CB 3.23Å; L79-F83 PolarHBondContact O-N 2.88Å; L80-F83 WeakPolarHBondContact O-CB 3.39Å; L80-F83 PolarHBondContact O-N 3.26Å; F83-L85 PolarHBondContact O-N 2.79Å; F83-I86 HydrophobicContact CD2-CD1 4.5Å; F83-I86 HydrophobicContact CE2-CD1 4.25Å; F83-I86 WeakPolarHBondContact O-CB 3.49Å; F83-I86 WeakPolarHBondContact O-CG2 3.49Å; F83-I86 PolarHBondContact O-N 3.29Å; F83-I86 VanDerWaalsContact O-N 3.17Å
84D87.1Confident88.1Confident136 Ų13661.3 Ų61.373%0.72733%0.325SS*.G310 helixtrans-67-24.6-180-57.6-37.5000112.3R82R82-D84 PolarHBondContact O-N 3.37Å; R82-D84 VanDerWaalsContact O-N 3.14Å
85L86.6Confident87.9Confident66 Ų6660.7 Ų60.735%0.34632%0.321SS..G310 helixtrans-84.9-8.6177.3-63.7175.8000112.9R82 F83 Q87 M88 L93R82-L85 HydrophobicContact CB-CD1 4.36Å; R82-L85 WeakPolarHBondContact O-CB 3.43Å; R82-L85 PolarHBondContact O-N 2.94Å; F83-L85 PolarHBondContact O-N 2.79Å; L85-Q87 PolarHBondContact O-N 2.81Å; L85-M88 HydrophobicContact CD2-CE 4.19Å; L85-M88 CarbonylContact O-C 3.58Å; L85-M88 VanDerWaalsContact O-C 3.31Å; L85-M88 PolarHBondContact O-N 2.94Å; L85-L93 HydrophobicContact CB-CD1 3.91Å
86I81.4Confident87.8Confident5 Ų560.2 Ų60.23%0.02632%0.319CS..G310 helixtrans-60.1-15.7-175.7-153.9167.9000113.9Y8 L11 F83 M88 L121 Y125Y8-I86 HydrophobicContact CD1-CG2 4.04Å; Y8-I86 HydrophobicContact CE1-CG2 3.8Å; L11-I86 HydrophobicContact CD2-CD1 3.56Å; F83-I86 HydrophobicContact CD2-CD1 4.5Å; F83-I86 HydrophobicContact CE2-CD1 4.25Å; F83-I86 WeakPolarHBondContact O-CB 3.49Å; F83-I86 WeakPolarHBondContact O-CG2 3.49Å; F83-I86 PolarHBondContact O-N 3.29Å; F83-I86 VanDerWaalsContact O-N 3.17Å; I86-M88 VanDerWaalsContact C-N 3.34Å; I86-L121 HydrophobicContact CD1-CD2 4.14Å; I86-Y125 PolarHBondContact O-OH 3.47Å
87Q77.6Confident87.7Confident122 Ų12260.2 Ų60.257%0.5732%0.319SS*.G310 helixtrans-70.3-32173.5-58.5-168.730.500112.8Y8 L85Y8-Q87 HydrophobicContact CE1-CG 4.47Å; L85-Q87 PolarHBondContact O-N 2.81Å
88M76.6Confident87.6Confident132 Ų13256.4 Ų56.465%0.6530%0.301SS*.SBendtrans-112.2104.7177.3-61.6-177.8-68.900106.6L85 I86 D90L85-M88 HydrophobicContact CD2-CE 4.19Å; L85-M88 CarbonylContact O-C 3.58Å; L85-M88 VanDerWaalsContact O-C 3.31Å; L85-M88 PolarHBondContact O-N 2.94Å; I86-M88 VanDerWaalsContact C-N 3.34Å; M88-D90 PolarHBondContact O-N 3.39Å
89L79.5Confident87.6Confident54 Ų5453.7 Ų53.728%0.28329%0.287SS..  trans-66.886.6178.1-173.266.4000108.8E94 V97 Y125 F129L89-E94 HydrophobicContact CD1-CB 4.41Å; L89-E94 HydrophobicContact CD2-CG 4.23Å; L89-E94 HydrophobicContact CG-CB 4.29Å; L89-E94 HydrophobicContact CG-CG 4.39Å; L89-V97 HydrophobicContact CD1-CB 4.13Å; L89-V97 HydrophobicContact CD1-CG1 4.44Å; L89-V97 HydrophobicContact CD1-CG2 3.89Å; L89-Y125 HydrophobicContact CB-CE1 3.91Å; L89-Y125 HydrophobicContact CD1-CE1 4.45Å; L89-Y125 HydrophobicContact CD2-CE1 4.32Å; L89-Y125 HydrophobicContact CG-CE1 4.47Å; L89-F129 HydrophobicContact CD2-CE2 4.24Å; L89-F129 HydrophobicContact CD2-CZ 3.85Å
90D82.1Confident87.6Confident78 Ų7853.6 Ų53.642%0.41729%0.286SS..  trans-74.2153.9177.9-173.330.2000110.1M88 G92 L93 E94M88-D90 PolarHBondContact O-N 3.39Å; D90-G92 PolarHBondContact O-N 2.88Å; D90-G92 VanDerWaalsContact O-N 3.1Å; D90-L93 PolarHBondContact O-N 3.38Å; D90-E94 PolarHBondContact O-N 3.48Å
91D80.9Confident87.6Confident133 Ų13351.7 Ų51.771%0.71128%0.276SS*.Hα-helixtrans-56.4-33.8-176.3-69.2-18.7000111.2L93D91-L93 VanDerWaalsContact C-N 3.33Å; D91-L93 PolarHBondContact O-N 3.04Å
92G84.2Confident87.6Confident35 Ų3548.7 Ų48.736%0.36125%0.248SC..Hα-helixtrans-74.4-15.5177.500000115.5D90D90-G92 PolarHBondContact O-N 2.88Å; D90-G92 VanDerWaalsContact O-N 3.1Å
93L88.7Confident87.7Confident1 Ų143.5 Ų43.51%0.00523%0.228CC..Hα-helixtrans-103.1-20175.4-71.2-176.2000112.6L78 L79 R82 L85 D90 D91 E95 A96 V97L78-L93 HydrophobicContact CG-CD2 4.4Å; L79-L93 HydrophobicContact CD2-CD2 3.91Å; R82-L93 HydrophobicContact CB-CD1 4.2Å; R82-L93 HydrophobicContact CB-CD2 3.88Å; R82-L93 HydrophobicContact CB-CG 4.42Å; L85-L93 HydrophobicContact CB-CD1 3.91Å; D90-L93 PolarHBondContact O-N 3.38Å; D91-L93 VanDerWaalsContact C-N 3.33Å; D91-L93 PolarHBondContact O-N 3.04Å; L93-E95 PolarHBondContact O-N 3.24Å; L93-A96 PolarHBondContact O-N 3.37Å; L93-A96 VanDerWaalsContact O-N 3.15Å; L93-V97 WeakPolarHBondContact O-CG2 2.73Å; L93-V97 PolarHBondContact O-N 3.34Å
94E90.1Very high87.9Confident26 Ų2642.9 Ų42.912%0.12123%0.226CC..Hα-helixtrans-59.7-44.1-176.3-170.1176.5-170.600112.2L89 D90 A96 V97 N98 K140L89-E94 HydrophobicContact CD1-CB 4.41Å; L89-E94 HydrophobicContact CD2-CG 4.23Å; L89-E94 HydrophobicContact CG-CB 4.29Å; L89-E94 HydrophobicContact CG-CG 4.39Å; D90-E94 PolarHBondContact O-N 3.48Å; E94-A96 VanDerWaalsContact C-N 3.34Å; E94-A96 PolarHBondContact O-N 3.16Å; E94-V97 PolarHBondContact O-N 3.18Å; E94-N98 VanDerWaalsContact CG-ND2 3.32Å; E94-N98 WeakPolarHBondContact CG-ND2 3.39Å; E94-N98 VanDerWaalsContact O-CB 3.31Å; E94-N98 WeakPolarHBondContact O-CB 2.96Å; E94-N98 PolarHBondContact O-N 3.32Å; E94-N98 PolarHBondContact O-ND2 3.46Å; E94-K140 HydrophobicContact CG-CD 3.84Å; E94-K140 WeakPolarHBondContact OE1-CD 3.36Å; E94-K140 WeakPolarHBondContact OE1-CE 3.43Å; E94-K140 IonicContact OE1-NZ 2.68Å; E94-K140 PolarHBondContact OE1-NZ 3.17Å; E94-K140 WeakPolarHBondContact OE2-CD 3.49Å; E94-K140 IonicContact OE2-NZ 3.14Å; E94-K140 PolarHBondContact OE2-NZ 2.84Å
95E91.2Very high88.1Confident88 Ų8839.7 Ų39.741%0.41121%0.212SC..Hα-helixtrans-58.8-45.1175.1-179.3-177.5170.500111.4L93 N98 S99 K140 N142L93-E95 PolarHBondContact O-N 3.24Å; E95-N98 PolarHBondContact O-N 2.96Å; E95-S99 WeakPolarHBondContact O-CB 3.33Å; E95-S99 PolarHBondContact O-N 2.98Å; E95-S99 PolarHBondContact O-OG 2.84Å; E95-K140 WeakPolarHBondContact CA-O 3.36Å; E95-K140 WeakPolarHBondContact CG-O 3.25Å; E95-N142 WeakPolarHBondContact OE1-CB 3.49Å; E95-N142 PolarHBondContact OE1-ND2 3.22Å
96A92.7Very high88.3Confident1 Ų142.8 Ų42.81%0.00822%0.22CC..Hα-helixtrans-66-45.1-178.100000112.3L75 L78 L79 L93 E94 S99 I100L75-A96 HydrophobicContact CB-CB 4.4Å; L75-A96 HydrophobicContact CD2-CB 3.94Å; L78-A96 HydrophobicContact CD2-CB 4.07Å; L79-A96 HydrophobicContact CD2-CB 3.99Å; L79-A96 HydrophobicContact CG-CB 4.26Å; L93-A96 PolarHBondContact O-N 3.37Å; L93-A96 VanDerWaalsContact O-N 3.15Å; E94-A96 VanDerWaalsContact C-N 3.34Å; E94-A96 PolarHBondContact O-N 3.16Å; A96-S99 PolarHBondContact O-N 2.92Å; A96-I100 WeakPolarHBondContact O-CB 3.33Å; A96-I100 WeakPolarHBondContact O-CD1 3.38Å; A96-I100 VanDerWaalsContact O-CG1 3.3Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 3.41Å
97V93Very high88.8Confident0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-63.4-47.7176.7173.30000110.7L79 L89 L93 E94 S99 I100 L101 L121 Y125 F129L79-V97 HydrophobicContact CD1-CG2 4.49Å; L79-V97 HydrophobicContact CD2-CG2 3.82Å; L89-V97 HydrophobicContact CD1-CB 4.13Å; L89-V97 HydrophobicContact CD1-CG1 4.44Å; L89-V97 HydrophobicContact CD1-CG2 3.89Å; L93-V97 WeakPolarHBondContact O-CG2 2.73Å; L93-V97 PolarHBondContact O-N 3.34Å; E94-V97 PolarHBondContact O-N 3.18Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 3.09Å; V97-I100 PolarHBondContact O-N 2.94Å; V97-L101 HydrophobicContact CG1-CD1 3.76Å; V97-L101 HydrophobicContact CG1-CG 4.41Å; V97-L101 WeakPolarHBondContact O-CB 3.23Å; V97-L101 VanDerWaalsContact O-CG 3.23Å; V97-L101 WeakPolarHBondContact O-CG 3.39Å; V97-L101 PolarHBondContact O-N 2.8Å; V97-L121 HydrophobicContact CG1-CD1 4.39Å; V97-Y125 HydrophobicContact CG1-CD2 4.47Å; V97-Y125 HydrophobicContact CG1-CE2 4.07Å; V97-F129 HydrophobicContact CG1-CE1 4.09Å
98N92.9Very high89.3Confident0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-58.9-46.1177.8-85.1-87.1000111.2E94 E95 L101 W102 C133 F138 K140 V141E94-N98 VanDerWaalsContact CG-ND2 3.32Å; E94-N98 WeakPolarHBondContact CG-ND2 3.39Å; E94-N98 VanDerWaalsContact O-CB 3.31Å; E94-N98 WeakPolarHBondContact O-CB 2.96Å; E94-N98 PolarHBondContact O-N 3.32Å; E94-N98 PolarHBondContact O-ND2 3.46Å; E95-N98 PolarHBondContact O-N 2.96Å; N98-L101 PolarHBondContact O-N 3.21Å; N98-W102 WeakPolarHBondContact O-CB 3.3Å; N98-W102 PolarHBondContact O-N 3.02Å; N98-C133 PolarHBondContact OD1-SG 3.26Å; N98-F138 VanDerWaalsContact OD1-CD2 3.24Å; N98-F138 WeakPolarHBondContact OD1-CD2 3.34Å; N98-K140 HydrophobicContact CB-CB 4.41Å; N98-V141 HydrophobicContact CB-CG2 4.1Å
99S93.5Very high90.1Very high0 Ų038.7 Ų38.70%021%0.212CC..Hα-helixtrans-66.7-42.4-177.1-58.40000113.3E95 A96 V97 W102 A103 V141 N142E95-S99 WeakPolarHBondContact O-CB 3.33Å; E95-S99 PolarHBondContact O-N 2.98Å; E95-S99 PolarHBondContact O-OG 2.84Å; A96-S99 PolarHBondContact O-N 2.92Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 3.09Å; S99-W102 PolarHBondContact O-N 3.44Å; S99-A103 WeakPolarHBondContact O-CB 3.37Å; S99-A103 PolarHBondContact O-N 3.37Å; S99-V141 WeakPolarHBondContact OG-CA 3.44Å; S99-N142 PolarHBondContact OG-N 2.92Å
100I93.5Very high90.7Very high1 Ų139 Ų391%0.00521%0.212CC..Hα-helixtrans-66.4-41.9176.4-71.4166000110.9L75 L79 A96 V97 W102 A103 A104 L114 I117L75-I100 HydrophobicContact CB-CD1 3.92Å; L75-I100 HydrophobicContact CB-CG1 4.06Å; L79-I100 HydrophobicContact CD1-CD1 3.39Å; L79-I100 HydrophobicContact CG-CD1 3.99Å; A96-I100 WeakPolarHBondContact O-CB 3.33Å; A96-I100 WeakPolarHBondContact O-CD1 3.38Å; A96-I100 VanDerWaalsContact O-CG1 3.3Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 3.41Å; V97-I100 PolarHBondContact O-N 2.94Å; I100-W102 VanDerWaalsContact C-N 3.33Å; I100-W102 PolarHBondContact O-N 3.06Å; I100-A103 PolarHBondContact O-N 2.83Å; I100-A104 WeakPolarHBondContact O-CB 3.36Å; I100-A104 PolarHBondContact O-N 3Å; I100-L114 HydrophobicContact CG2-CD2 4.17Å; I100-I117 HydrophobicContact CG2-CG2 4.16Å
101L93.8Very high91.3Very high0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-65.3-36.6177.9-73173.6000112.5V97 N98 P105 S118 L121 F129 V130 C133 R134V97-L101 HydrophobicContact CG1-CD1 3.76Å; V97-L101 HydrophobicContact CG1-CG 4.41Å; V97-L101 WeakPolarHBondContact O-CB 3.23Å; V97-L101 VanDerWaalsContact O-CG 3.23Å; V97-L101 WeakPolarHBondContact O-CG 3.39Å; V97-L101 PolarHBondContact O-N 2.8Å; N98-L101 PolarHBondContact O-N 3.21Å; L101-P105 WeakPolarHBondContact O-CD 3.35Å; L101-S118 WeakPolarHBondContact CD2-OG 3.48Å; L101-L121 HydrophobicContact CD2-CB 4.03Å; L101-L121 HydrophobicContact CD2-CD1 3.85Å; L101-L121 HydrophobicContact CG-CD1 4.08Å; L101-F129 HydrophobicContact CD1-CD1 4.25Å; L101-F129 HydrophobicContact CD1-CE1 3.88Å; L101-V130 HydrophobicContact CD1-CG2 3.96Å; L101-V130 HydrophobicContact CD2-CG1 4.01Å; L101-V130 HydrophobicContact CD2-CG2 3.95Å; L101-C133 HydrophobicContact CB-CB 3.68Å; L101-C133 HydrophobicContact CD1-CB 3.95Å; L101-C133 HydrophobicContact CG-CB 4.49Å; L101-R134 WeakPolarHBondContact O-CG 2.94Å
102W93.9Very high91.9Very high19 Ų1932.1 Ų32.17%0.07218%0.179CC..Hα-helixtrans-67.2-42.2174.2-177.184.6000112.5N98 S99 I100 P105 R106 V141 L145 L146 L149N98-W102 WeakPolarHBondContact O-CB 3.3Å; N98-W102 PolarHBondContact O-N 3.02Å; S99-W102 PolarHBondContact O-N 3.44Å; I100-W102 VanDerWaalsContact C-N 3.33Å; I100-W102 PolarHBondContact O-N 3.06Å; W102-P105 WeakPolarHBondContact O-CD 3.29Å; W102-R106 VanDerWaalsContact CZ2-NE 3.34Å; W102-V141 HydrophobicContact CB-CG1 4.25Å; W102-V141 HydrophobicContact CB-CG2 3.82Å; W102-V141 HydrophobicContact CD2-CG1 4.23Å; W102-V141 HydrophobicContact CE3-CG1 4.16Å; W102-V141 HydrophobicContact CG-CG1 4.26Å; W102-V141 HydrophobicContact CG-CG2 4.11Å; W102-L145 HydrophobicContact CE3-CD2 4.43Å; W102-L145 HydrophobicContact CZ3-CG 4.23Å; W102-L146 HydrophobicContact CD2-CD1 4.4Å; W102-L146 HydrophobicContact CE3-CD1 4.38Å; W102-L146 HydrophobicContact CH2-CD1 4.35Å; W102-L146 HydrophobicContact CH2-CG 4.11Å; W102-L146 HydrophobicContact CZ2-CD1 4.37Å; W102-L146 HydrophobicContact CZ2-CG 4.06Å; W102-L146 HydrophobicContact CZ3-CD1 4.33Å; W102-L149 HydrophobicContact CH2-CB 3.89Å; W102-L149 HydrophobicContact CZ3-CB 3.91Å; W102-L149 HydrophobicContact CZ3-CD1 3.81Å; W102-L149 HydrophobicContact CZ3-CG 4.43Å
103A93Very high92.4Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-76.9-27.3-179.300000113.8I72 S99 I100 R106 I107 L145 L149I72-A103 HydrophobicContact CD1-CB 3.75Å; I72-A103 HydrophobicContact CG1-CB 4.22Å; S99-A103 WeakPolarHBondContact O-CB 3.37Å; S99-A103 PolarHBondContact O-N 3.37Å; I100-A103 PolarHBondContact O-N 2.83Å; A103-R106 WeakPolarHBondContact O-CA 3.49Å; A103-R106 WeakPolarHBondContact O-CB 3.4Å; A103-R106 PolarHBondContact O-N 3.03Å; A103-I107 PolarHBondContact O-N 3.34Å; A103-I107 VanDerWaalsContact O-N 3.09Å; A103-L145 HydrophobicContact CB-CD2 4.26Å; A103-L149 HydrophobicContact CB-CD1 4.26Å
104A93Very high92.7Very high4 Ų432.3 Ų32.33%0.03317%0.17CC..Hα-helixtrans-48.7-53-176.100000114.4I100 R106 S108 L114I100-A104 WeakPolarHBondContact O-CB 3.36Å; I100-A104 PolarHBondContact O-N 3Å; A104-R106 VanDerWaalsContact C-N 3.25Å; A104-R106 PolarHBondContact O-N 3.26Å; A104-S108 WeakPolarHBondContact O-CA 3.36Å; A104-S108 WeakPolarHBondContact O-CB 3.4Å; A104-S108 PolarHBondContact O-N 2.97Å; A104-S108 PolarHBondContact O-OG 3.04Å; A104-L114 HydrophobicContact CB-CB 4.37Å
105P91.9Very high92.9Very high68 Ų6839.1 Ų39.144%0.44220%0.195SC..Hα-helixtrans-65.5-27.3178.425.6-34.6000113.4L101 W102 S108 R134L101-P105 WeakPolarHBondContact O-CD 3.35Å; W102-P105 WeakPolarHBondContact O-CD 3.29Å; P105-S108 PolarHBondContact O-OG 3.15Å; P105-R134 HydrophobicContact CG-CG 4.37Å
106R91.3Very high93Very high131 Ų13136.6 Ų36.649%0.49419%0.185SC..Hα-helixtrans-77.8-33.1-176.1-56.6-174.2176.9-70.3-4.1112.9W102 A103 A104W102-R106 VanDerWaalsContact CZ2-NE 3.34Å; A103-R106 WeakPolarHBondContact O-CA 3.49Å; A103-R106 WeakPolarHBondContact O-CB 3.4Å; A103-R106 PolarHBondContact O-N 3.03Å; A104-R106 VanDerWaalsContact C-N 3.25Å; A104-R106 PolarHBondContact O-N 3.26Å
107I91.2Very high93.1Very high10 Ų1036.5 Ų36.55%0.05119%0.185CC..Hα-helixtrans-113.7-2.6-174.1-66.8162.9000112.6L69 I72 A103 T109 E110 V111 L114 L149L69-I107 HydrophobicContact CD2-CD1 4.46Å; L69-I107 HydrophobicContact CD2-CG2 4.06Å; I72-I107 HydrophobicContact CD1-CD1 3.1Å; A103-I107 PolarHBondContact O-N 3.34Å; A103-I107 VanDerWaalsContact O-N 3.09Å; I107-T109 PolarHBondContact O-N 2.66Å; I107-E110 PolarHBondContact O-N 2.95Å; I107-V111 HydrophobicContact CG2-CB 4.19Å; I107-V111 HydrophobicContact CG2-CG2 3.85Å; I107-V111 PolarHBondContact O-N 3.11Å; I107-L114 HydrophobicContact CB-CD1 4.28Å; I107-L114 HydrophobicContact CG2-CD1 4.08Å; I107-L149 HydrophobicContact CD1-CD1 3.75Å; I107-L149 HydrophobicContact CD1-CD2 4.02Å
108S88.4Confident93.1Very high38 Ų3836.6 Ų36.627%0.26619%0.185SC..THydrogen-bonded Turntrans-55.8-19.8-179.958.80000115.6A104 P105A104-S108 WeakPolarHBondContact O-CA 3.36Å; A104-S108 WeakPolarHBondContact O-CB 3.4Å; A104-S108 PolarHBondContact O-N 2.97Å; A104-S108 PolarHBondContact O-OG 3.04Å; P105-S108 PolarHBondContact O-OG 3.15Å
109T92.6Very high93.1Very high125 Ų12539.9 Ų39.977%0.76720%0.203SC*.THydrogen-bonded Turntrans-70.2-36.8174.250.50000112.6I107I107-T109 PolarHBondContact O-N 2.66Å
110E92.3Very high93Very high60 Ų6040.6 Ų40.628%0.2821%0.206SC..THydrogen-bonded Turntrans-91.5-35.9179.7-59.5-173.1175.100111.7R21 L25 K29 I107R21-E110 PolarHBondContact NE-O 2.93Å; R21-E110 VanDerWaalsContact NE-O 3.13Å; R21-E110 PolarHBondContact NH2-O 3.33Å; R21-E110 VanDerWaalsContact NH2-O 3.09Å; L25-E110 HydrophobicContact CD1-CB 3.87Å; K29-E110 WeakPolarHBondContact CE-OE1 3.44Å; K29-E110 VanDerWaalsContact CE-OE2 3.23Å; K29-E110 WeakPolarHBondContact CE-OE2 3.43Å; K29-E110 IonicContact NZ-OE1 3.65Å; K29-E110 PolarHBondContact NZ-OE1 3.21Å; K29-E110 IonicContact NZ-OE2 2.69Å; K29-E110 PolarHBondContact NZ-OE2 3.4Å; K29-E110 VanDerWaalsContact NZ-OE2 3.17Å; I107-E110 PolarHBondContact O-N 2.95Å
111V94.7Very high92.9Very high0 Ų040.6 Ų40.60%021%0.206CC..  trans-124.585.3-177.1-168.80000110.8A18 R21 L22 L25 I107 E113 L114A18-V111 HydrophobicContact CB-CG1 4.31Å; R21-V111 HydrophobicContact CG-CG1 4.15Å; R21-V111 HydrophobicContact CG-CG2 4.19Å; L22-V111 HydrophobicContact CD2-CG2 3.81Å; L22-V111 HydrophobicContact CG-CG2 4.41Å; L25-V111 HydrophobicContact CD1-CG2 3.49Å; L25-V111 VanDerWaalsContact CD1-CG2 3.49Å; I107-V111 HydrophobicContact CG2-CB 4.19Å; I107-V111 HydrophobicContact CG2-CG2 3.85Å; I107-V111 PolarHBondContact O-N 3.11Å; V111-E113 HydrophobicContact CG1-CB 4.3Å; V111-E113 WeakPolarHBondContact CG1-OE2 3.29Å; V111-E113 PolarHBondContact O-N 3.43Å; V111-L114 HydrophobicContact CB-CD1 4.08Å; V111-L114 HydrophobicContact CB-CG 4.15Å; V111-L114 HydrophobicContact CG1-CD1 4.22Å; V111-L114 HydrophobicContact CG1-CG 3.82Å; V111-L114 PolarHBondContact O-N 2.69Å
112P94.7Very high92.9Very high67 Ų6741.2 Ų41.244%0.43521%0.211SC..Hα-helixtrans-64.4-22.3-178.926.3-34.9000113.5L114 R115P112-L114 PolarHBondContact O-N 2.87Å; P112-R115 WeakPolarHBondContact O-CB 3.48Å; P112-R115 PolarHBondContact O-N 3.36Å; P112-R115 VanDerWaalsContact O-N 3.14Å
113E95.2Very high92.7Very high39 Ų3944 Ų4418%0.18223%0.226CC..Hα-helixtrans-60.5-34177-65.173.6-164.100112.1L17 A18 V111 R115 V116 I117L17-E113 HydrophobicContact CB-CG 3.76Å; A18-E113 HydrophobicContact CB-CB 3.89Å; V111-E113 HydrophobicContact CG1-CB 4.3Å; V111-E113 WeakPolarHBondContact CG1-OE2 3.29Å; V111-E113 PolarHBondContact O-N 3.43Å; E113-R115 PolarHBondContact O-N 2.96Å; E113-V116 WeakPolarHBondContact O-CB 3.19Å; E113-V116 PolarHBondContact O-N 3.47Å; E113-V116 VanDerWaalsContact O-N 3.08Å; E113-I117 WeakPolarHBondContact O-CD1 3.41Å; E113-I117 WeakPolarHBondContact O-CG1 3.44Å; E113-I117 PolarHBondContact O-N 3.46Å
114L94.4Very high92.5Very high1 Ų147.3 Ų47.31%0.00524%0.241CC..Hα-helixtrans-61.9-32.3177.3-71.5180000112.3I72 I100 A104 I107 V111 P112 I117 S118I72-L114 HydrophobicContact CG2-CD1 4.3Å; I72-L114 HydrophobicContact CG2-CD2 4.38Å; I100-L114 HydrophobicContact CG2-CD2 4.17Å; A104-L114 HydrophobicContact CB-CB 4.37Å; I107-L114 HydrophobicContact CB-CD1 4.28Å; I107-L114 HydrophobicContact CG2-CD1 4.08Å; V111-L114 HydrophobicContact CB-CD1 4.08Å; V111-L114 HydrophobicContact CB-CG 4.15Å; V111-L114 HydrophobicContact CG1-CD1 4.22Å; V111-L114 HydrophobicContact CG1-CG 3.82Å; V111-L114 PolarHBondContact O-N 2.69Å; P112-L114 PolarHBondContact O-N 2.87Å; L114-I117 HydrophobicContact CD2-CD1 4.12Å; L114-I117 PolarHBondContact O-N 3.09Å; L114-S118 WeakPolarHBondContact O-CB 3.45Å; L114-S118 PolarHBondContact O-N 2.94Å
115R94.2Very high92.3Very high170 Ų17049.3 Ų49.364%0.64225%0.248SC*.Hα-helixtrans-64.2-46.3173.4-178179.2176169.91.4110.7P112 E113 I117 S118 D119P112-R115 WeakPolarHBondContact O-CB 3.48Å; P112-R115 PolarHBondContact O-N 3.36Å; P112-R115 VanDerWaalsContact O-N 3.14Å; E113-R115 PolarHBondContact O-N 2.96Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 2.99Å; R115-S118 WeakPolarHBondContact O-CB 3.31Å; R115-S118 PolarHBondContact O-N 3.02Å; R115-D119 VanDerWaalsContact O-CG 3.3Å; R115-D119 PolarHBondContact O-N 2.93Å
116V93.7Very high92.3Very high34 Ų3447.6 Ų47.621%0.20624%0.243CC..Hα-helixtrans-64.4-40.3179-176.70000111.1K10 N14 E113 D119 Q120K10-V116 HydrophobicContact CD-CG1 4.38Å; K10-V116 HydrophobicContact CG-CG1 4.39Å; N14-V116 HydrophobicContact CB-CG1 4.41Å; E113-V116 WeakPolarHBondContact O-CB 3.19Å; E113-V116 PolarHBondContact O-N 3.47Å; E113-V116 VanDerWaalsContact O-N 3.08Å; V116-D119 PolarHBondContact O-N 2.86Å; V116-Q120 WeakPolarHBondContact O-CG 3.32Å; V116-Q120 PolarHBondContact O-N 3.46Å
117I93.6Very high92.2Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-60.2-49174.1-69.3158.8000110.2L11 N14 L15 A18 I100 E113 L114 R115 D119 Q120 L121L11-I117 HydrophobicContact CD1-CB 4.14Å; L11-I117 HydrophobicContact CD1-CG1 4.08Å; L11-I117 HydrophobicContact CD1-CG2 3.83Å; N14-I117 HydrophobicContact CB-CD1 4.38Å; N14-I117 HydrophobicContact CB-CG1 3.89Å; L15-I117 HydrophobicContact CD2-CD1 3.82Å; L15-I117 HydrophobicContact CD2-CG1 4.29Å; L15-I117 HydrophobicContact CD2-CG2 4.34Å; L15-I117 HydrophobicContact CG-CD1 4.13Å; L15-I117 HydrophobicContact CG-CG1 4.27Å; A18-I117 HydrophobicContact CB-CD1 3.9Å; I100-I117 HydrophobicContact CG2-CG2 4.16Å; E113-I117 WeakPolarHBondContact O-CD1 3.41Å; E113-I117 WeakPolarHBondContact O-CG1 3.44Å; E113-I117 PolarHBondContact O-N 3.46Å; L114-I117 HydrophobicContact CD2-CD1 4.12Å; L114-I117 PolarHBondContact O-N 3.09Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 2.99Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.35Å; I117-Q120 PolarHBondContact O-N 3.2Å; I117-L121 HydrophobicContact CG2-CD1 3.86Å; I117-L121 HydrophobicContact CG2-CG 4.44Å; I117-L121 WeakPolarHBondContact O-CG 3.48Å; I117-L121 PolarHBondContact O-N 3.13Å
118S93.3Very high92.2Very high1 Ų156.7 Ų56.71%0.00728%0.284CS..Hα-helixtrans-57.7-42.6176.6-175.20000111.9L101 L114 R115 Q120 L121 A122 R134L101-S118 WeakPolarHBondContact CD2-OG 3.48Å; L114-S118 WeakPolarHBondContact O-CB 3.45Å; L114-S118 PolarHBondContact O-N 2.94Å; R115-S118 WeakPolarHBondContact O-CB 3.31Å; R115-S118 PolarHBondContact O-N 3.02Å; S118-Q120 PolarHBondContact O-N 2.91Å; S118-L121 PolarHBondContact O-N 3.32Å; S118-A122 WeakPolarHBondContact O-CB 3.47Å; S118-A122 PolarHBondContact O-N 3.02Å; S118-R134 PolarHBondContact OG-NH2 2.82Å; S118-R134 VanDerWaalsContact OG-NH2 3.17Å
119D92.9Very high92.2Very high69 Ų6956.5 Ų56.537%0.36928%0.279SS..Hα-helixtrans-64.7-40177.8-69.6-23.5000112.3R115 V116 I117 A122 I123R115-D119 VanDerWaalsContact O-CG 3.3Å; R115-D119 PolarHBondContact O-N 2.93Å; V116-D119 PolarHBondContact O-N 2.86Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.35Å; D119-A122 WeakPolarHBondContact O-CB 3.44Å; D119-A122 PolarHBondContact O-N 3.23Å; D119-I123 WeakPolarHBondContact O-CG1 3.49Å; D119-I123 PolarHBondContact O-N 3.41Å; D119-I123 VanDerWaalsContact O-N 3.16Å
120Q92.4Very high92.2Very high15 Ų1550.6 Ų50.67%0.0724%0.243CC..Hα-helixtrans-67.7-40176-67.8-50.8-65.200112.2N7 L11 V116 I117 S118 A122 I123 K124N7-Q120 PolarHBondContact O-OE1 3.49Å; L11-Q120 HydrophobicContact CB-CB 4.14Å; L11-Q120 HydrophobicContact CB-CG 4.2Å; L11-Q120 HydrophobicContact CD1-CB 4.03Å; L11-Q120 HydrophobicContact CG-CB 4.45Å; V116-Q120 WeakPolarHBondContact O-CG 3.32Å; V116-Q120 PolarHBondContact O-N 3.46Å; I117-Q120 PolarHBondContact O-N 3.2Å; S118-Q120 PolarHBondContact O-N 2.91Å; Q120-A122 VanDerWaalsContact C-N 3.32Å; Q120-I123 PolarHBondContact O-N 3.3Å; Q120-K124 PolarHBondContact O-N 3.13Å
121L91.1Very high92.2Very high2 Ų250.6 Ų50.61%0.0124%0.244CC..Hα-helixtrans-66.8-34.6175-66.1171.6000111.4L11 I86 V97 L101 I117 S118 I123 K124 Y125L11-L121 HydrophobicContact CD2-CD2 4.31Å; I86-L121 HydrophobicContact CD1-CD2 4.14Å; V97-L121 HydrophobicContact CG1-CD1 4.39Å; L101-L121 HydrophobicContact CD2-CB 4.03Å; L101-L121 HydrophobicContact CD2-CD1 3.85Å; L101-L121 HydrophobicContact CG-CD1 4.08Å; I117-L121 HydrophobicContact CG2-CD1 3.86Å; I117-L121 HydrophobicContact CG2-CG 4.44Å; I117-L121 WeakPolarHBondContact O-CG 3.48Å; I117-L121 PolarHBondContact O-N 3.13Å; S118-L121 PolarHBondContact O-N 3.32Å; L121-I123 VanDerWaalsContact C-N 3.32Å; L121-I123 PolarHBondContact O-N 2.85Å; L121-K124 PolarHBondContact O-N 2.96Å; L121-Y125 HydrophobicContact CB-CD2 4.43Å; L121-Y125 HydrophobicContact CD2-CD2 4.39Å; L121-Y125 HydrophobicContact CD2-CE2 3.87Å; L121-Y125 PolarHBondContact O-N 3.04Å
122A92.2Very high92.1Very high12 Ų1251 Ų5110%0.09925%0.248CC..Hα-helixtrans-63.9-35.3174.200000112.8S118 D119 Q120 K124 G126 V130S118-A122 WeakPolarHBondContact O-CB 3.47Å; S118-A122 PolarHBondContact O-N 3.02Å; D119-A122 WeakPolarHBondContact O-CB 3.44Å; D119-A122 PolarHBondContact O-N 3.23Å; Q120-A122 VanDerWaalsContact C-N 3.32Å; A122-K124 VanDerWaalsContact C-N 3.35Å; A122-G126 CarbonylContact O-C 3.24Å; A122-G126 VanDerWaalsContact O-C 3.24Å; A122-G126 WeakPolarHBondContact O-CA 3.2Å; A122-G126 PolarHBondContact O-N 3.42Å; A122-V130 HydrophobicContact CB-CB 4.42Å; A122-V130 HydrophobicContact CB-CG2 3.75Å
123I91.3Very high91.9Very high77 Ų7747.9 Ų47.940%0.39523%0.228SC..Hα-helixtrans-69-36.2174.5-65164000110.6V4 P6 D119 Q120 L121V4-I123 WeakPolarHBondContact O-CG2 3.46Å; P6-I123 HydrophobicContact CB-CB 4.38Å; P6-I123 HydrophobicContact CB-CG2 4.04Å; D119-I123 WeakPolarHBondContact O-CG1 3.49Å; D119-I123 PolarHBondContact O-N 3.41Å; D119-I123 VanDerWaalsContact O-N 3.16Å; Q120-I123 PolarHBondContact O-N 3.3Å; L121-I123 VanDerWaalsContact C-N 3.32Å; L121-I123 PolarHBondContact O-N 2.85Å
124K88.7Confident91.6Very high70 Ų7050.3 Ų50.330%0.30424%0.235SC..Hα-helixtrans-77.1-51.2-177.5177.358.9177.4-175.50113.6P6 Y8 Q120 L121 A122P6-K124 HydrophobicContact CB-CB 4.18Å; P6-K124 HydrophobicContact CG-CB 4.14Å; P6-K124 HydrophobicContact CG-CD 4.08Å; Y8-K124 WeakPolarHBondContact OH-CD 3.47Å; Y8-K124 WeakPolarHBondContact OH-CE 3.44Å; Y8-K124 PolarHBondContact OH-NZ 3.44Å; Y8-K124 VanDerWaalsContact OH-NZ 3.12Å; Q120-K124 PolarHBondContact O-N 3.13Å; L121-K124 PolarHBondContact O-N 2.96Å; A122-K124 VanDerWaalsContact C-N 3.35Å
125Y89.1Confident91.4Very high46 Ų4655.9 Ų55.918%0.1826%0.261CS..Hα-helixtrans-98.7-8.5-173.9-58.8-62000113.4I86 L89 V97 L121 F129I86-Y125 PolarHBondContact O-OH 3.47Å; L89-Y125 HydrophobicContact CB-CE1 3.91Å; L89-Y125 HydrophobicContact CD1-CE1 4.45Å; L89-Y125 HydrophobicContact CD2-CE1 4.32Å; L89-Y125 HydrophobicContact CG-CE1 4.47Å; V97-Y125 HydrophobicContact CG1-CD2 4.47Å; V97-Y125 HydrophobicContact CG1-CE2 4.07Å; L121-Y125 HydrophobicContact CB-CD2 4.43Å; L121-Y125 HydrophobicContact CD2-CD2 4.39Å; L121-Y125 HydrophobicContact CD2-CE2 3.87Å; L121-Y125 PolarHBondContact O-N 3.04Å; Y125-F129 HydrophobicContact CD2-CD1 4.13Å; Y125-F129 AromaticContact CD2-CE1 3.92Å; Y125-F129 HydrophobicContact CD2-CE1 3.92Å; Y125-F129 AromaticContact CG-CD1 3.97Å; Y125-F129 HydrophobicContact CG-CD1 3.97Å; Y125-F129 HydrophobicContact CG-CE1 4.03Å
126G90.3Very high91.1Very high32 Ų3249.6 Ų49.633%0.3324%0.24SC..  trans91.5154.3-175.800000112.9A122 M128 F129 V130A122-G126 CarbonylContact O-C 3.24Å; A122-G126 VanDerWaalsContact O-C 3.24Å; A122-G126 WeakPolarHBondContact O-CA 3.2Å; A122-G126 PolarHBondContact O-N 3.42Å; G126-M128 PolarHBondContact O-N 3.4Å; G126-F129 PolarHBondContact O-N 2.9Å; G126-V130 PolarHBondContact O-N 3.48Å
127R90Very high90.5Very high186 Ų18656 Ų5670%0.70226%0.261SS*.Hα-helixtrans-64.8-39.4-178-65.8-178.2-175.8-90.4-0.5112.7F129 V130 D131R127-F129 VanDerWaalsContact C-N 3.26Å; R127-F129 PolarHBondContact O-N 3.15Å; R127-V130 PolarHBondContact O-N 3.39Å; R127-V130 VanDerWaalsContact O-N 3.08Å; R127-D131 PolarHBondContact O-N 3.26Å
128M90.4Very high89.9Confident146 Ų14659.9 Ų59.972%0.71928%0.278SS*.Hα-helixtrans-59.9-36.9179.1-59.4-64.889.500112.5G126 A132G126-M128 PolarHBondContact O-N 3.4Å; M128-A132 WeakPolarHBondContact O-CB 3.43Å; M128-A132 PolarHBondContact O-N 2.85Å
129F90.1Very high89.3Confident34 Ų3463.7 Ų63.715%0.14931%0.31CS..Hα-helixtrans-64.9-47.7174.1176.7-97.9000111L89 V97 L101 Y125 G126 R127 D131 A132 C133 F138L89-F129 HydrophobicContact CD2-CE2 4.24Å; L89-F129 HydrophobicContact CD2-CZ 3.85Å; V97-F129 HydrophobicContact CG1-CE1 4.09Å; L101-F129 HydrophobicContact CD1-CD1 4.25Å; L101-F129 HydrophobicContact CD1-CE1 3.88Å; Y125-F129 HydrophobicContact CD2-CD1 4.13Å; Y125-F129 AromaticContact CD2-CE1 3.92Å; Y125-F129 HydrophobicContact CD2-CE1 3.92Å; Y125-F129 AromaticContact CG-CD1 3.97Å; Y125-F129 HydrophobicContact CG-CD1 3.97Å; Y125-F129 HydrophobicContact CG-CE1 4.03Å; G126-F129 PolarHBondContact O-N 2.9Å; R127-F129 VanDerWaalsContact C-N 3.26Å; R127-F129 PolarHBondContact O-N 3.15Å; F129-D131 VanDerWaalsContact C-N 3.34Å; F129-D131 PolarHBondContact O-N 3.12Å; F129-A132 WeakPolarHBondContact O-CB 3.47Å; F129-A132 PolarHBondContact O-N 3.49Å; F129-C133 VanDerWaalsContact CE1-SG 3.53Å; F129-C133 PolarHBondContact O-N 3.21Å; F129-C133 PolarHBondContact O-SG 3.39Å; F129-F138 AromaticContact CD2-CE2 3.85Å; F129-F138 HydrophobicContact CD2-CE2 3.85Å; F129-F138 AromaticContact CD2-CZ 3.86Å; F129-F138 HydrophobicContact CD2-CZ 3.86Å; F129-F138 AromaticContact CE2-CE2 3.83Å; F129-F138 HydrophobicContact CE2-CE2 3.83Å; F129-F138 HydrophobicContact CE2-CZ 4.03Å
130V92Very high88.9Confident2 Ų264.9 Ų64.91%0.01231%0.311CS..Hα-helixtrans-61.9-41.8179170.60000112.1L101 A122 G126 R127 A132 C133 R134L101-V130 HydrophobicContact CD1-CG2 3.96Å; L101-V130 HydrophobicContact CD2-CG1 4.01Å; L101-V130 HydrophobicContact CD2-CG2 3.95Å; A122-V130 HydrophobicContact CB-CB 4.42Å; A122-V130 HydrophobicContact CB-CG2 3.75Å; G126-V130 PolarHBondContact O-N 3.48Å; R127-V130 PolarHBondContact O-N 3.39Å; R127-V130 VanDerWaalsContact O-N 3.08Å; V130-A132 VanDerWaalsContact C-N 3.35Å; V130-C133 PolarHBondContact O-N 2.85Å; V130-R134 HydrophobicContact CG1-CG 4.45Å; V130-R134 VanDerWaalsContact O-CG 3.31Å; V130-R134 WeakPolarHBondContact O-CG 3.46Å; V130-R134 PolarHBondContact O-N 3.01Å
131D91.7Very high88.6Confident59 Ų5964.5 Ų64.532%0.31631%0.31SS..Hα-helixtrans-65.4-40.3177.2-63.9-30.3000110.9R127 F129 C133 R134 E135R127-D131 PolarHBondContact O-N 3.26Å; F129-D131 VanDerWaalsContact C-N 3.34Å; F129-D131 PolarHBondContact O-N 3.12Å; D131-C133 PolarHBondContact O-N 3.49Å; D131-R134 PolarHBondContact O-N 2.99Å; D131-R134 IonicContact OD1-NH1 3.95Å; D131-E135 PolarHBondContact O-N 3.2Å
132A91.9Very high88.4Confident10 Ų1065.7 Ų65.78%0.08332%0.317CS..Hα-helixtrans-62.6-37.8172.600000113M128 F129 V130 N136 R137 F138M128-A132 WeakPolarHBondContact O-CB 3.43Å; M128-A132 PolarHBondContact O-N 2.85Å; F129-A132 WeakPolarHBondContact O-CB 3.47Å; F129-A132 PolarHBondContact O-N 3.49Å; V130-A132 VanDerWaalsContact C-N 3.35Å; A132-N136 PolarHBondContact O-N 3.04Å; A132-R137 HydrophobicContact CB-CB 4.29Å; A132-R137 HydrophobicContact CB-CG 4.48Å; A132-R137 PolarHBondContact O-N 3.44Å; A132-F138 HydrophobicContact CB-CD2 4.28Å; A132-F138 HydrophobicContact CB-CE2 3.48Å; A132-F138 VanDerWaalsContact CB-CE2 3.48Å; A132-F138 HydrophobicContact CB-CZ 3.77Å
133C90.8Very high88.3Confident0 Ų070 Ų700%034%0.342CS..Hα-helixtrans-66.8-41173.1-61.70000112.1N98 L101 F129 V130 D131 E135 N136N98-C133 PolarHBondContact OD1-SG 3.26Å; L101-C133 HydrophobicContact CB-CB 3.68Å; L101-C133 HydrophobicContact CD1-CB 3.95Å; L101-C133 HydrophobicContact CG-CB 4.49Å; F129-C133 VanDerWaalsContact CE1-SG 3.53Å; F129-C133 PolarHBondContact O-N 3.21Å; F129-C133 PolarHBondContact O-SG 3.39Å; V130-C133 PolarHBondContact O-N 2.85Å; D131-C133 PolarHBondContact O-N 3.49Å; C133-E135 VanDerWaalsContact C-N 3.29Å; C133-E135 PolarHBondContact O-N 3.11Å; C133-N136 WeakPolarHBondContact O-CA 3.39Å; C133-N136 PolarHBondContact O-N 2.91Å
134R89.5Confident88.2Confident91 Ų9172.6 Ų72.634%0.34335%0.35SS..Hα-helixtrans-63.1-35.4178.4-75.3171.7178.7179.41.3112.8L101 P105 S118 V130 D131 N136L101-R134 WeakPolarHBondContact O-CG 2.94Å; P105-R134 HydrophobicContact CG-CG 4.37Å; S118-R134 PolarHBondContact OG-NH2 2.82Å; S118-R134 VanDerWaalsContact OG-NH2 3.17Å; V130-R134 HydrophobicContact CG1-CG 4.45Å; V130-R134 VanDerWaalsContact O-CG 3.31Å; V130-R134 WeakPolarHBondContact O-CG 3.46Å; V130-R134 PolarHBondContact O-N 3.01Å; D131-R134 PolarHBondContact O-N 2.99Å; D131-R134 IonicContact OD1-NH1 3.95Å; R134-N136 VanDerWaalsContact C-N 3.26Å
135E89.9Confident88.4Confident118 Ų11869.3 Ų69.355%0.55134%0.336SS*.THydrogen-bonded Turntrans-84.10.7173.8-68.3179-151.600113.2D131 C133 R137D131-E135 PolarHBondContact O-N 3.2Å; C133-E135 VanDerWaalsContact C-N 3.29Å; C133-E135 PolarHBondContact O-N 3.11Å; E135-R137 HydrophobicContact CB-CG 3.9Å; E135-R137 VanDerWaalsContact CD-NH2 3.26Å; E135-R137 PolarHBondContact O-N 2.87Å; E135-R137 IonicContact OE1-NH2 2.88Å; E135-R137 PolarHBondContact OE1-NH2 3.15Å; E135-R137 VanDerWaalsContact OE1-NH2 3.14Å; E135-R137 IonicContact OE2-CZ 3.08Å; E135-R137 IonicContact OE2-NE 2.69Å; E135-R137 PolarHBondContact OE2-NE 2.9Å; E135-R137 IonicContact OE2-NH2 3.24Å; E135-R137 PolarHBondContact OE2-NH2 3.18Å
136N87.6Confident88.4Confident38 Ų3869.4 Ų69.420%0.20334%0.339CS..THydrogen-bonded Turntrans52.734.6-174.6-170.435.9000113.6A132 C133 R134 F138 A139 V141 L146A132-N136 PolarHBondContact O-N 3.04Å; C133-N136 WeakPolarHBondContact O-CA 3.39Å; C133-N136 PolarHBondContact O-N 2.91Å; R134-N136 VanDerWaalsContact C-N 3.26Å; N136-F138 PolarHBondContact O-N 3.39Å; N136-A139 PolarHBondContact O-N 3.23Å; N136-A139 VanDerWaalsContact O-N 3.11Å; N136-V141 HydrophobicContact CB-CG2 4.37Å; N136-V141 WeakPolarHBondContact OD1-CB 3.33Å; N136-V141 WeakPolarHBondContact OD1-CG2 3.13Å; N136-L146 WeakPolarHBondContact ND2-CD2 3.49Å
137R81.2Confident88.3Confident168 Ų16874.6 Ų74.663%0.63436%0.355SS*.THydrogen-bonded Turntrans-62.8-29.4-178.5-65.9-172.6-172.9177.14.9113A132 E135 A139A132-R137 HydrophobicContact CB-CB 4.29Å; A132-R137 HydrophobicContact CB-CG 4.48Å; A132-R137 PolarHBondContact O-N 3.44Å; E135-R137 HydrophobicContact CB-CG 3.9Å; E135-R137 VanDerWaalsContact CD-NH2 3.26Å; E135-R137 PolarHBondContact O-N 2.87Å; E135-R137 IonicContact OE1-NH2 2.88Å; E135-R137 PolarHBondContact OE1-NH2 3.15Å; E135-R137 VanDerWaalsContact OE1-NH2 3.14Å; E135-R137 IonicContact OE2-CZ 3.08Å; E135-R137 IonicContact OE2-NE 2.69Å; E135-R137 PolarHBondContact OE2-NE 2.9Å; E135-R137 IonicContact OE2-NH2 3.24Å; E135-R137 PolarHBondContact OE2-NH2 3.18Å; R137-A139 VanDerWaalsContact C-N 3.3Å
138F80.7Confident88.3Confident82 Ų8268 Ų6836%0.3633%0.331SS..THydrogen-bonded Turntrans-77.5-14.9179.6-60.4-66.3000113.3N98 F129 A132 N136 K140N98-F138 VanDerWaalsContact OD1-CD2 3.24Å; N98-F138 WeakPolarHBondContact OD1-CD2 3.34Å; F129-F138 AromaticContact CD2-CE2 3.85Å; F129-F138 HydrophobicContact CD2-CE2 3.85Å; F129-F138 AromaticContact CD2-CZ 3.86Å; F129-F138 HydrophobicContact CD2-CZ 3.86Å; F129-F138 AromaticContact CE2-CE2 3.83Å; F129-F138 HydrophobicContact CE2-CE2 3.83Å; F129-F138 HydrophobicContact CE2-CZ 4.03Å; A132-F138 HydrophobicContact CB-CD2 4.28Å; A132-F138 HydrophobicContact CB-CE2 3.48Å; A132-F138 VanDerWaalsContact CB-CE2 3.48Å; A132-F138 HydrophobicContact CB-CZ 3.77Å; N136-F138 PolarHBondContact O-N 3.39Å; F138-K140 HydrophobicContact CB-CB 4.3Å; F138-K140 HydrophobicContact CB-CD 4.43Å; F138-K140 HydrophobicContact CB-CG 4.21Å; F138-K140 WeakPolarHBondContact O-CG 3.17Å; F138-K140 PolarHBondContact O-N 3.3Å
139A82.3Confident88.1Confident81 Ų8162.4 Ų62.467%0.66930%0.304SS*.SBendtrans51.424.5-171.700000114.2N136 R137N136-A139 PolarHBondContact O-N 3.23Å; N136-A139 VanDerWaalsContact O-N 3.11Å; R137-A139 VanDerWaalsContact C-N 3.3Å
140K83.9Confident87.8Confident93 Ų9363.3 Ų63.340%0.40432%0.315SS..  trans-99.27.2178.3-68.5-176.1-177.3-177.50112.9E94 E95 N98 F138E94-K140 HydrophobicContact CG-CD 3.84Å; E94-K140 WeakPolarHBondContact OE1-CD 3.36Å; E94-K140 WeakPolarHBondContact OE1-CE 3.43Å; E94-K140 IonicContact OE1-NZ 2.68Å; E94-K140 PolarHBondContact OE1-NZ 3.17Å; E94-K140 WeakPolarHBondContact OE2-CD 3.49Å; E94-K140 IonicContact OE2-NZ 3.14Å; E94-K140 PolarHBondContact OE2-NZ 2.84Å; E95-K140 WeakPolarHBondContact CA-O 3.36Å; E95-K140 WeakPolarHBondContact CG-O 3.25Å; N98-K140 HydrophobicContact CB-CB 4.41Å; F138-K140 HydrophobicContact CB-CB 4.3Å; F138-K140 HydrophobicContact CB-CD 4.43Å; F138-K140 HydrophobicContact CB-CG 4.21Å; F138-K140 WeakPolarHBondContact O-CG 3.17Å; F138-K140 PolarHBondContact O-N 3.3Å
141V85.9Confident86.9Confident7 Ų770.6 Ų70.64%0.04235%0.352CS..SBendtrans-78.9141.5175.4-179.90000109.4N98 S99 W102 N136 T143 L146N98-V141 HydrophobicContact CB-CG2 4.1Å; S99-V141 WeakPolarHBondContact OG-CA 3.44Å; W102-V141 HydrophobicContact CB-CG1 4.25Å; W102-V141 HydrophobicContact CB-CG2 3.82Å; W102-V141 HydrophobicContact CD2-CG1 4.23Å; W102-V141 HydrophobicContact CE3-CG1 4.16Å; W102-V141 HydrophobicContact CG-CG1 4.26Å; W102-V141 HydrophobicContact CG-CG2 4.11Å; N136-V141 HydrophobicContact CB-CG2 4.37Å; N136-V141 WeakPolarHBondContact OD1-CB 3.33Å; N136-V141 WeakPolarHBondContact OD1-CG2 3.13Å; V141-T143 PolarHBondContact O-N 3.14Å; V141-L146 HydrophobicContact CB-CD1 3.5Å; V141-L146 HydrophobicContact CG1-CD1 3.07Å
142N87.8Confident86.4Confident28 Ų2874.2 Ų74.215%0.1537%0.367CS..  trans-52.1121.6177.1-169.8-71.3000111.7E95 S99 K144 L145 L146E95-N142 WeakPolarHBondContact OE1-CB 3.49Å; E95-N142 PolarHBondContact OE1-ND2 3.22Å; S99-N142 PolarHBondContact OG-N 2.92Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.31Å; N142-K144 WeakPolarHBondContact OD1-CB 3.49Å; N142-K144 PolarHBondContact OD1-N 3.33Å; N142-L145 HydrophobicContact CB-CB 4.01Å; N142-L145 WeakPolarHBondContact O-CB 3.34Å; N142-L145 PolarHBondContact O-N 3.34Å; N142-L145 PolarHBondContact OD1-N 2.97Å; N142-L146 WeakPolarHBondContact O-CD1 3.44Å; N142-L146 PolarHBondContact O-N 3.49Å; N142-L146 VanDerWaalsContact O-N 3.09Å
143T88.9Confident86.2Confident102 Ų10278.7 Ų78.763%0.62639%0.393SS*.Hα-helixtrans-65.2-33.4-174.253.40000112.9V141 L146 Q147V141-T143 PolarHBondContact O-N 3.14Å; T143-L146 WeakPolarHBondContact O-CB 3.48Å; T143-L146 PolarHBondContact O-N 2.91Å; T143-Q147 WeakPolarHBondContact O-CG 3.44Å; T143-Q147 PolarHBondContact O-N 2.96Å; T143-Q147 VanDerWaalsContact O-N 3.11Å
144K90.2Very high86.1Confident132 Ų13279.3 Ų79.357%0.57440%0.397SS*.Hα-helixtrans-67.1-43.6176-59.9-177.4178.6-178.70110.6L71 N142 L146 Q147 K148L71-K144 HydrophobicContact CD1-CB 3.87Å; N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.31Å; N142-K144 WeakPolarHBondContact OD1-CB 3.49Å; N142-K144 PolarHBondContact OD1-N 3.33Å; K144-L146 VanDerWaalsContact C-N 3.29Å; K144-L146 PolarHBondContact O-N 3.25Å; K144-Q147 PolarHBondContact O-N 2.94Å; K144-K148 VanDerWaalsContact O-CG 3.23Å; K144-K148 WeakPolarHBondContact O-CG 3.49Å; K144-K148 PolarHBondContact O-N 3.49Å
145L91.1Very high86.3Confident0 Ų078 Ų780%040%0.402CS..Hα-helixtrans-60.6-40.3176.7-174.664.7000111.4A68 L71 I72 L75 W102 A103 N142 K148 L149A68-L145 HydrophobicContact CB-CD1 4.07Å; L71-L145 HydrophobicContact CB-CD1 4.23Å; L71-L145 HydrophobicContact CD1-CB 4.17Å; L71-L145 HydrophobicContact CD1-CD1 4.44Å; I72-L145 HydrophobicContact CD1-CD1 4.03Å; I72-L145 HydrophobicContact CG1-CD1 3.82Å; I72-L145 HydrophobicContact CG1-CD2 4.18Å; L75-L145 HydrophobicContact CD1-CD2 4.37Å; W102-L145 HydrophobicContact CE3-CD2 4.43Å; W102-L145 HydrophobicContact CZ3-CG 4.23Å; A103-L145 HydrophobicContact CB-CD2 4.26Å; N142-L145 HydrophobicContact CB-CB 4.01Å; N142-L145 WeakPolarHBondContact O-CB 3.34Å; N142-L145 PolarHBondContact O-N 3.34Å; N142-L145 PolarHBondContact OD1-N 2.97Å; L145-K148 PolarHBondContact O-N 3.07Å; L145-L149 HydrophobicContact CD1-CD1 3.72Å; L145-L149 HydrophobicContact CD1-CG 4.18Å; L145-L149 HydrophobicContact CG-CD1 4.13Å; L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 PolarHBondContact O-N 3.25Å
146L90.5Very high86.3Confident48 Ų4879.9 Ų79.925%0.25141%0.409SS..Hα-helixtrans-58.8-48.9174.2-101.777000112.3W102 N136 V141 N142 T143 K144 S150W102-L146 HydrophobicContact CD2-CD1 4.4Å; W102-L146 HydrophobicContact CE3-CD1 4.38Å; W102-L146 HydrophobicContact CH2-CD1 4.35Å; W102-L146 HydrophobicContact CH2-CG 4.11Å; W102-L146 HydrophobicContact CZ2-CD1 4.37Å; W102-L146 HydrophobicContact CZ2-CG 4.06Å; W102-L146 HydrophobicContact CZ3-CD1 4.33Å; N136-L146 WeakPolarHBondContact ND2-CD2 3.49Å; V141-L146 HydrophobicContact CB-CD1 3.5Å; V141-L146 HydrophobicContact CG1-CD1 3.07Å; N142-L146 WeakPolarHBondContact O-CD1 3.44Å; N142-L146 PolarHBondContact O-N 3.49Å; N142-L146 VanDerWaalsContact O-N 3.09Å; T143-L146 WeakPolarHBondContact O-CB 3.48Å; T143-L146 PolarHBondContact O-N 2.91Å; K144-L146 VanDerWaalsContact C-N 3.29Å; K144-L146 PolarHBondContact O-N 3.25Å; L146-S150 VanDerWaalsContact O-CB 3.24Å; L146-S150 WeakPolarHBondContact O-CB 3.3Å; L146-S150 PolarHBondContact O-N 3.26Å
147Q88.9Confident86.5Confident142 Ų14278.4 Ų78.466%0.66440%0.401SS*.Hα-helixtrans-64.4-41.7-177.5-72.4174.9-13.200111.6T143 K144T143-Q147 WeakPolarHBondContact O-CG 3.44Å; T143-Q147 PolarHBondContact O-N 2.96Å; T143-Q147 VanDerWaalsContact O-N 3.11Å; K144-Q147 PolarHBondContact O-N 2.94Å
148K88.9Confident87Confident46 Ų4672.2 Ų72.220%0.238%0.38CS..Hα-helixtrans-73.1-35.4-177.1-63.2-73.4171.21700113.3Y64 E67 A68 K144 L145Y64-K148 HydrophobicContact CD1-CD 3.55Å; Y64-K148 HydrophobicContact CE1-CD 4.17Å; Y64-K148 HydrophobicContact CG-CD 3.89Å; E67-K148 HydrophobicContact CB-CD 4.29Å; E67-K148 IonicContact OE1-NZ 2.66Å; E67-K148 PolarHBondContact OE1-NZ 3.35Å; E67-K148 WeakPolarHBondContact OE2-CE 3.49Å; E67-K148 IonicContact OE2-NZ 2.6Å; E67-K148 PolarHBondContact OE2-NZ 3.27Å; A68-K148 HydrophobicContact CB-CB 4.07Å; K144-K148 VanDerWaalsContact O-CG 3.23Å; K144-K148 WeakPolarHBondContact O-CG 3.49Å; K144-K148 PolarHBondContact O-N 3.49Å; L145-K148 PolarHBondContact O-N 3.07Å
149L86.4Confident87.7Confident29 Ų2968.6 Ų68.615%0.15237%0.365CS..Hα-helixtrans-90.3-5.9176.4-68.5-179.7000114.1A68 I72 W102 A103 I107 L145 I151A68-L149 HydrophobicContact CB-CD1 4.43Å; A68-L149 HydrophobicContact CB-CD2 3.6Å; A68-L149 HydrophobicContact CB-CG 3.77Å; I72-L149 HydrophobicContact CD1-CD1 4.42Å; W102-L149 HydrophobicContact CH2-CB 3.89Å; W102-L149 HydrophobicContact CZ3-CB 3.91Å; W102-L149 HydrophobicContact CZ3-CD1 3.81Å; W102-L149 HydrophobicContact CZ3-CG 4.43Å; A103-L149 HydrophobicContact CB-CD1 4.26Å; I107-L149 HydrophobicContact CD1-CD1 3.75Å; I107-L149 HydrophobicContact CD1-CD2 4.02Å; L145-L149 HydrophobicContact CD1-CD1 3.72Å; L145-L149 HydrophobicContact CD1-CG 4.18Å; L145-L149 HydrophobicContact CG-CD1 4.13Å; L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 PolarHBondContact O-N 3.25Å; L149-I151 PolarHBondContact O-N 3.42Å
150S82.9Confident88.2Confident54 Ų5465.1 Ų65.138%0.37834%0.335SS..SBendtrans-68.7126.3171.2-1720000109.2L146 Q152L146-S150 VanDerWaalsContact O-CB 3.24Å; L146-S150 WeakPolarHBondContact O-CB 3.3Å; L146-S150 PolarHBondContact O-N 3.26Å; S150-Q152 VanDerWaalsContact C-N 3.28Å; S150-Q152 PolarHBondContact O-N 3.45Å; S150-Q152 PolarHBondContact OG-NE2 3.02Å
151I74.8Confident88.6Confident154 Ų15465 Ų6579%0.7933%0.334SS*.  trans-72.389.1176.6-57.1169.8000107.1L149L149-I151 PolarHBondContact O-N 3.42Å
152Q81.6Confident89Confident136 Ų13666.4 Ų66.464%0.63634%0.339SS*.  trans-117.8139.2175.5-64.5-59.8-40.500109.8S150 P154S150-Q152 VanDerWaalsContact C-N 3.28Å; S150-Q152 PolarHBondContact O-N 3.45Å; S150-Q152 PolarHBondContact OG-NE2 3.02Å; Q152-P154 WeakPolarHBondContact O-CD 3.4Å
153T86.6Confident89.4Confident103 Ų10365.1 Ų65.163%0.63233%0.332SS*.PPolyproline II helixtrans-69.5124.9171.7-57.60000108.3
154P89.8Confident89.6Confident13 Ų1361.9 Ų61.98%0.08431%0.31CS..PPolyproline II helixtrans-53.5142.3174.3-26.235.5000111.1I60 Q152 L158 V159I60-P154 HydrophobicContact CB-CG 4.11Å; I60-P154 HydrophobicContact CD1-CB 4.03Å; I60-P154 HydrophobicContact CD1-CG 4.42Å; I60-P154 HydrophobicContact CG2-CB 4.01Å; I60-P154 HydrophobicContact CG2-CG 3.76Å; Q152-P154 WeakPolarHBondContact O-CD 3.4Å; P154-L158 HydrophobicContact CB-CD2 4.46Å; P154-V159 HydrophobicContact CB-CG2 4.23Å
155S91.7Very high89.8Confident64 Ų6460.9 Ų60.945%0.44831%0.308SS..PPolyproline II helixtrans-63.6145.9174.668.90000109.8V157 L158 V159S155-V157 PolarHBondContact O-N 2.91Å; S155-V157 VanDerWaalsContact O-N 3.14Å; S155-L158 WeakPolarHBondContact O-CB 3.36Å; S155-L158 PolarHBondContact O-N 3.31Å; S155-L158 WeakPolarHBondContact OG-CB 3.5Å; S155-L158 PolarHBondContact OG-N 3.47Å; S155-V159 PolarHBondContact O-N 2.87Å; S155-V159 VanDerWaalsContact O-N 3.12Å
156K91.4Very high89.9Confident158 Ų15861.2 Ų61.269%0.68731%0.31SS*.Hα-helixtrans-57.6-31.2178.3-65.2-176.5-179.4177.90112V159 E160 V180K156-V159 WeakPolarHBondContact O-CB 3.5Å; K156-V159 PolarHBondContact O-N 2.94Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.34Å; K156-V180 HydrophobicContact CB-CG1 3.75Å
157V91.2Very high90.1Very high7 Ų759.1 Ų59.14%0.04230%0.299CS..Hα-helixtrans-71.1-37.6178.1-162.90000112.1S155 V159 E160 K161 V180 D184S155-V157 PolarHBondContact O-N 2.91Å; S155-V157 VanDerWaalsContact O-N 3.14Å; V157-V159 VanDerWaalsContact C-N 3.31Å; V157-V159 PolarHBondContact O-N 2.97Å; V157-E160 PolarHBondContact O-N 3.42Å; V157-K161 HydrophobicContact CG1-CD 4.37Å; V157-K161 WeakPolarHBondContact O-CB 3.45Å; V157-K161 WeakPolarHBondContact O-CG 3.49Å; V157-K161 PolarHBondContact O-N 3.31Å; V157-V180 HydrophobicContact CB-CG1 4.36Å; V157-V180 HydrophobicContact CG2-CG1 3.86Å; V157-V180 WeakPolarHBondContact CG2-O 3.37Å; V157-D184 HydrophobicContact CB-CB 4.29Å; V157-D184 WeakPolarHBondContact CB-OD1 3.24Å; V157-D184 WeakPolarHBondContact CB-OD2 3.45Å; V157-D184 HydrophobicContact CG1-CB 3.8Å; V157-D184 WeakPolarHBondContact CG1-OD2 3.5Å; V157-D184 HydrophobicContact CG2-CB 4.16Å; V157-D184 VanDerWaalsContact CG2-CG 3.45Å; V157-D184 WeakPolarHBondContact CG2-OD1 3.2Å
158L92.4Very high90.3Very high37 Ų3759.1 Ų59.119%0.19430%0.299CS..Hα-helixtrans-62.6-41.1172.6-173.263.1000111.1I60 Y64 P154 S155 E160 K161 Y162I60-L158 HydrophobicContact CD1-CD2 4.37Å; I60-L158 HydrophobicContact CD1-CG 4.11Å; I60-L158 HydrophobicContact CG2-CD2 3.86Å; Y64-L158 VanDerWaalsContact OH-CD2 3.31Å; Y64-L158 WeakPolarHBondContact OH-CD2 3.5Å; P154-L158 HydrophobicContact CB-CD2 4.46Å; S155-L158 WeakPolarHBondContact O-CB 3.36Å; S155-L158 PolarHBondContact O-N 3.31Å; S155-L158 WeakPolarHBondContact OG-CB 3.5Å; S155-L158 PolarHBondContact OG-N 3.47Å; L158-E160 PolarHBondContact O-N 3.09Å; L158-K161 PolarHBondContact O-N 3.31Å; L158-Y162 HydrophobicContact CD1-CD2 3.95Å; L158-Y162 HydrophobicContact CD1-CE2 3.73Å; L158-Y162 HydrophobicContact CG-CD2 4.09Å; L158-Y162 HydrophobicContact CG-CE2 4.05Å; L158-Y162 VanDerWaalsContact O-CD2 3.31Å; L158-Y162 WeakPolarHBondContact O-CD2 3.49Å; L158-Y162 PolarHBondContact O-N 3.32Å
159V94.2Very high90.5Very high7 Ų762.1 Ų62.14%0.04233%0.325CS..Hα-helixtrans-59.8-46.6175.2176.30000111.2R53 V56 E57 I60 P154 S155 K156 V157 Y162 M163R53-V159 HydrophobicContact CB-CG1 4.11Å; R53-V159 HydrophobicContact CG-CG1 4.3Å; V56-V159 HydrophobicContact CB-CG1 4.18Å; V56-V159 HydrophobicContact CG1-CB 4.4Å; V56-V159 HydrophobicContact CG1-CG1 3.9Å; E57-V159 HydrophobicContact CG-CG2 3.66Å; I60-V159 HydrophobicContact CD1-CG2 3.91Å; P154-V159 HydrophobicContact CB-CG2 4.23Å; S155-V159 PolarHBondContact O-N 2.87Å; S155-V159 VanDerWaalsContact O-N 3.12Å; K156-V159 WeakPolarHBondContact O-CB 3.5Å; K156-V159 PolarHBondContact O-N 2.94Å; V157-V159 VanDerWaalsContact C-N 3.31Å; V157-V159 PolarHBondContact O-N 2.97Å; V159-Y162 PolarHBondContact O-N 3.5Å; V159-M163 HydrophobicContact CG1-CG 4.47Å; V159-M163 WeakPolarHBondContact O-CG 3.49Å; V159-M163 PolarHBondContact O-N 3Å
160E93Very high90.8Very high7 Ų765 Ų653%0.03334%0.337CS..Hα-helixtrans-66.7-37.3178.1-69.9-73.9155.700112.3R53 K156 V157 L158 M163 I164 N177 V180 L181R53-E160 IonicContact CZ-OE1 3.95Å; R53-E160 IonicContact NE-OE1 3.6Å; R53-E160 PolarHBondContact NE-OE1 2.86Å; R53-E160 IonicContact NH2-OE1 3.76Å; K156-E160 WeakPolarHBondContact O-CG 3.48Å; K156-E160 PolarHBondContact O-N 3.34Å; V157-E160 PolarHBondContact O-N 3.42Å; L158-E160 PolarHBondContact O-N 3.09Å; E160-M163 WeakPolarHBondContact O-CB 3.41Å; E160-M163 PolarHBondContact O-N 3.39Å; E160-I164 WeakPolarHBondContact O-CD1 3.38Å; E160-I164 VanDerWaalsContact O-CG1 3.26Å; E160-I164 WeakPolarHBondContact O-CG1 3.2Å; E160-I164 PolarHBondContact O-N 3.42Å; E160-N177 HydrophobicContact CG-CB 4.47Å; E160-N177 PolarHBondContact OE1-ND2 2.91Å; E160-N177 PolarHBondContact OE2-N 3.35Å; E160-N177 VanDerWaalsContact OE2-N 3.14Å; E160-V180 HydrophobicContact CG-CB 4.14Å; E160-V180 HydrophobicContact CG-CG1 3.84Å; E160-L181 HydrophobicContact CB-CD1 3.68Å; E160-L181 HydrophobicContact CG-CD1 4.32Å
161K93.4Very high91.2Very high90 Ų9065.8 Ų65.839%0.39135%0.354SS..Hα-helixtrans-59.3-47.9172.5-75.9167.2174.6162.60111.5V157 L158 M163 I164 E165 D184V157-K161 HydrophobicContact CG1-CD 4.37Å; V157-K161 WeakPolarHBondContact O-CB 3.45Å; V157-K161 WeakPolarHBondContact O-CG 3.49Å; V157-K161 PolarHBondContact O-N 3.31Å; L158-K161 PolarHBondContact O-N 3.31Å; K161-M163 VanDerWaalsContact C-N 3.31Å; K161-M163 PolarHBondContact O-N 3.03Å; K161-I164 WeakPolarHBondContact O-CB 3.5Å; K161-I164 PolarHBondContact O-N 3.47Å; K161-E165 WeakPolarHBondContact O-CG 3.46Å; K161-E165 PolarHBondContact O-N 3.5Å; K161-D184 IonicContact NZ-OD2 3.81Å; K161-D184 PolarHBondContact NZ-OD2 3.06Å
162Y94.7Very high91.9Very high38 Ų3860 Ų6015%0.14933%0.326CS..Hα-helixtrans-61.3-38.5174.6-91.4-114.1000112.4V56 I60 D63 L158 V159 I164 E165 I166V56-Y162 VanDerWaalsContact CG1-CB 3.42Å; V56-Y162 HydrophobicContact CG1-CD1 4.38Å; V56-Y162 HydrophobicContact CG1-CG 4.16Å; I60-Y162 HydrophobicContact CD1-CD1 4.39Å; I60-Y162 HydrophobicContact CD1-CD2 4.08Å; I60-Y162 HydrophobicContact CD1-CE2 4.46Å; I60-Y162 HydrophobicContact CD1-CG 4.05Å; I60-Y162 HydrophobicContact CG1-CD1 3.68Å; I60-Y162 HydrophobicContact CG1-CD2 3.96Å; I60-Y162 HydrophobicContact CG1-CE1 3.68Å; I60-Y162 HydrophobicContact CG1-CE2 3.97Å; I60-Y162 HydrophobicContact CG1-CG 3.82Å; D63-Y162 WeakPolarHBondContact OD2-CE1 3.43Å; L158-Y162 HydrophobicContact CD1-CD2 3.95Å; L158-Y162 HydrophobicContact CD1-CE2 3.73Å; L158-Y162 HydrophobicContact CG-CD2 4.09Å; L158-Y162 HydrophobicContact CG-CE2 4.05Å; L158-Y162 VanDerWaalsContact O-CD2 3.31Å; L158-Y162 WeakPolarHBondContact O-CD2 3.49Å; L158-Y162 PolarHBondContact O-N 3.32Å; V159-Y162 PolarHBondContact O-N 3.5Å; Y162-I164 VanDerWaalsContact C-N 3.34Å; Y162-I164 PolarHBondContact O-N 3.44Å; Y162-E165 PolarHBondContact O-N 2.71Å; Y162-I166 WeakPolarHBondContact O-CB 3.4Å; Y162-I166 VanDerWaalsContact O-CG1 3.24Å; Y162-I166 WeakPolarHBondContact O-CG1 3.46Å; Y162-I166 PolarHBondContact O-N 2.97Å
163M94.4Very high92.2Very high0 Ų061.4 Ų61.40%033%0.332CS..Hα-helixtrans-61.7-43176.8-71.5-92.339.500112I40 I44 A52 R53 V56 V159 E160 K161 A167 F174I40-M163 HydrophobicContact CG2-CE 3.6Å; I44-M163 HydrophobicContact CD1-CE 3.17Å; I44-M163 HydrophobicContact CG1-CE 3.48Å; I44-M163 VanDerWaalsContact CG1-CE 3.48Å; A52-M163 HydrophobicContact CB-CE 3.99Å; A52-M163 HydrophobicContact CB-SD 3.85Å; R53-M163 HydrophobicContact CG-CG 4.45Å; R53-M163 HydrophobicContact CG-SD 4.03Å; V56-M163 HydrophobicContact CG2-CE 3.88Å; V56-M163 HydrophobicContact CG2-CG 3.96Å; V56-M163 HydrophobicContact CG2-SD 3.75Å; V159-M163 HydrophobicContact CG1-CG 4.47Å; V159-M163 WeakPolarHBondContact O-CG 3.49Å; V159-M163 PolarHBondContact O-N 3Å; E160-M163 WeakPolarHBondContact O-CB 3.41Å; E160-M163 PolarHBondContact O-N 3.39Å; K161-M163 VanDerWaalsContact C-N 3.31Å; K161-M163 PolarHBondContact O-N 3.03Å; M163-A167 VanDerWaalsContact O-CB 3.28Å; M163-A167 WeakPolarHBondContact O-CB 3.34Å; M163-A167 PolarHBondContact O-N 3.39Å; M163-F174 HydrophobicContact CB-CD1 4.33Å; M163-F174 HydrophobicContact CB-CE1 3.6Å; M163-F174 HydrophobicContact CB-CZ 3.76Å; M163-F174 HydrophobicContact CG-CZ 4.37Å
164I93.1Very high92.2Very high34 Ų3457.6 Ų57.617%0.17431%0.307CS..Hα-helixtrans-62-50176.2-66162000110.5E160 K161 Y162 I166 A167 Q168 F174 P176 L181E160-I164 WeakPolarHBondContact O-CD1 3.38Å; E160-I164 VanDerWaalsContact O-CG1 3.26Å; E160-I164 WeakPolarHBondContact O-CG1 3.2Å; E160-I164 PolarHBondContact O-N 3.42Å; K161-I164 WeakPolarHBondContact O-CB 3.5Å; K161-I164 PolarHBondContact O-N 3.47Å; Y162-I164 VanDerWaalsContact C-N 3.34Å; Y162-I164 PolarHBondContact O-N 3.44Å; I164-I166 PolarHBondContact O-N 2.96Å; I164-A167 PolarHBondContact O-N 3.36Å; I164-Q168 HydrophobicContact CG2-CG 4.39Å; I164-Q168 VanDerWaalsContact CG2-NE2 3.34Å; I164-Q168 WeakPolarHBondContact O-CB 3.3Å; I164-Q168 VanDerWaalsContact O-CG 3.29Å; I164-Q168 WeakPolarHBondContact O-CG 3.38Å; I164-Q168 PolarHBondContact O-N 3.43Å; I164-F174 HydrophobicContact CG1-CD1 4.3Å; I164-F174 HydrophobicContact CG1-CE1 4.25Å; I164-P176 HydrophobicContact CD1-CB 3.85Å; I164-P176 HydrophobicContact CD1-CG 3.91Å; I164-P176 HydrophobicContact CG1-CB 3.93Å; I164-P176 HydrophobicContact CG1-CG 3.66Å; I164-L181 HydrophobicContact CD1-CD1 4.37Å; I164-L181 HydrophobicContact CD1-CD2 3.82Å
165E94.2Very high92Very high111 Ų11164 Ų6452%0.51933%0.334SS..Hα-helixtrans-61.8-45.6-178.4-72.2175.5-169.800111.9K161 Y162 A167 Q168 C169K161-E165 WeakPolarHBondContact O-CG 3.46Å; K161-E165 PolarHBondContact O-N 3.5Å; Y162-E165 PolarHBondContact O-N 2.71Å; E165-A167 PolarHBondContact O-N 3.11Å; E165-Q168 PolarHBondContact O-N 3.15Å; E165-C169 WeakPolarHBondContact O-CB 3.34Å; E165-C169 PolarHBondContact O-N 3.19Å; E165-C169 PolarHBondContact O-SG 3.08Å
166I94.5Very high91.5Very high8 Ų863.1 Ų63.14%0.04133%0.327CS..Hα-helixtrans-63.5-42.9177.8-66.6167.1000110.9R37 I40 A41 I44 V56 Y162 I164 C169 H170R37-I166 HydrophobicContact CB-CG1 4.48Å; R37-I166 HydrophobicContact CG-CD1 4.06Å; R37-I166 HydrophobicContact CG-CG1 4.2Å; R37-I166 WeakPolarHBondContact O-CG2 3.43Å; I40-I166 HydrophobicContact CB-CG2 4.4Å; I40-I166 HydrophobicContact CD1-CD1 4.34Å; I40-I166 HydrophobicContact CG2-CD1 4.13Å; I40-I166 HydrophobicContact CG2-CG2 4.04Å; A41-I166 HydrophobicContact CB-CG2 4.17Å; I44-I166 HydrophobicContact CD1-CG2 4.49Å; V56-I166 HydrophobicContact CG2-CD1 4.04Å; Y162-I166 WeakPolarHBondContact O-CB 3.4Å; Y162-I166 VanDerWaalsContact O-CG1 3.24Å; Y162-I166 WeakPolarHBondContact O-CG1 3.46Å; Y162-I166 PolarHBondContact O-N 2.97Å; I164-I166 PolarHBondContact O-N 2.96Å; I166-C169 PolarHBondContact O-N 3.09Å; I166-H170 PolarHBondContact O-CD2 2.79Å; I166-H170 PolarHBondContact O-N 2.91Å
167A93.6Very high90.9Very high3 Ų358.6 Ų58.63%0.02531%0.31CS..Hα-helixtrans-62.5-42.7177.900000111.8I44 M163 I164 E165 H170 G171 V172 F174I44-A167 HydrophobicContact CD1-CB 4.08Å; M163-A167 VanDerWaalsContact O-CB 3.28Å; M163-A167 WeakPolarHBondContact O-CB 3.34Å; M163-A167 PolarHBondContact O-N 3.39Å; I164-A167 PolarHBondContact O-N 3.36Å; E165-A167 PolarHBondContact O-N 3.11Å; A167-H170 PolarHBondContact O-N 3.5Å; A167-G171 PolarHBondContact O-N 2.96Å; A167-V172 PolarHBondContact O-N 3.46Å; A167-F174 HydrophobicContact CB-CB 3.49Å; A167-F174 VanDerWaalsContact CB-CB 3.49Å; A167-F174 HydrophobicContact CB-CD1 4.48Å; A167-F174 HydrophobicContact CB-CG 4.21Å
168Q93.1Very high90.2Very high142 Ų14264.5 Ų64.566%0.66434%0.338SS*.Hα-helixtrans-64.2-47.3177-73.8177.64.800112.2I164 E165 H170 G171I164-Q168 HydrophobicContact CG2-CG 4.39Å; I164-Q168 VanDerWaalsContact CG2-NE2 3.34Å; I164-Q168 WeakPolarHBondContact O-CB 3.3Å; I164-Q168 VanDerWaalsContact O-CG 3.29Å; I164-Q168 WeakPolarHBondContact O-CG 3.38Å; I164-Q168 PolarHBondContact O-N 3.43Å; E165-Q168 PolarHBondContact O-N 3.15Å; Q168-H170 PolarHBondContact O-N 3.14Å; Q168-G171 PolarHBondContact O-N 3.32Å; Q168-G171 VanDerWaalsContact O-N 3.16Å
169C93.2Very high89.5Confident109 Ų10971.1 Ų71.174%0.73637%0.366SS*.Hα-helixtrans-60.1-31.1179.7-72.80000113.3E165 I166E165-C169 WeakPolarHBondContact O-CB 3.34Å; E165-C169 PolarHBondContact O-N 3.19Å; E165-C169 PolarHBondContact O-SG 3.08Å; I166-C169 PolarHBondContact O-N 3.09Å
170H92.6Very high88.7Confident89 Ų8971.9 Ų71.941%0.41237%0.37SS..THydrogen-bonded Turntrans-101.33.5179.6-72.7-82.7000114.1A41 I166 A167 Q168 V172A41-H170 HydrophobicContact CB-CB 3.62Å; I166-H170 PolarHBondContact O-CD2 2.79Å; I166-H170 PolarHBondContact O-N 2.91Å; A167-H170 PolarHBondContact O-N 3.5Å; Q168-H170 PolarHBondContact O-N 3.14Å; H170-V172 VanDerWaalsContact C-N 3.31Å; H170-V172 HydrophobicContact CB-CG2 4.16Å; H170-V172 PolarHBondContact O-N 3.44Å
171G90.9Very high87.9Confident71 Ų7173.8 Ų73.873%0.73238%0.38SS*.THydrogen-bonded Turntrans65.129179.600000114.7A167 Q168A167-G171 PolarHBondContact O-N 2.96Å; Q168-G171 PolarHBondContact O-N 3.32Å; Q168-G171 VanDerWaalsContact O-N 3.16Å
172V90.1Very high86.9Confident34 Ų3475.9 Ų75.921%0.20639%0.389CS..  trans-94.3133.4-179.8-1780000109.9A41 I44 A167 H170 F174A41-V172 HydrophobicContact CB-CG2 4.44Å; I44-V172 HydrophobicContact CB-CG1 4.09Å; I44-V172 HydrophobicContact CG2-CG1 3.64Å; A167-V172 PolarHBondContact O-N 3.46Å; H170-V172 VanDerWaalsContact C-N 3.31Å; H170-V172 HydrophobicContact CB-CG2 4.16Å; H170-V172 PolarHBondContact O-N 3.44Å; V172-F174 PolarHBondContact O-N 3.47Å
173E88Confident85.7Confident164 Ų16480 Ų8077%0.76641%0.41SS*.  trans-68.8116.9172-171.5-178.6169.500109.7
174F87.1Confident84.1Confident24 Ų2482.3 Ų82.311%0.10542%0.422CS..  trans-128133.7176177-114.4000109.3I44 E49 M163 I164 A167 V172 P176I44-F174 HydrophobicContact CG2-CB 4.02Å; I44-F174 HydrophobicContact CG2-CD2 3.8Å; I44-F174 HydrophobicContact CG2-CG 4.27Å; E49-F174 HydrophobicContact CG-CE2 4.28Å; M163-F174 HydrophobicContact CB-CD1 4.33Å; M163-F174 HydrophobicContact CB-CE1 3.6Å; M163-F174 HydrophobicContact CB-CZ 3.76Å; M163-F174 HydrophobicContact CG-CZ 4.37Å; I164-F174 HydrophobicContact CG1-CD1 4.3Å; I164-F174 HydrophobicContact CG1-CE1 4.25Å; A167-F174 HydrophobicContact CB-CB 3.49Å; A167-F174 VanDerWaalsContact CB-CB 3.49Å; A167-F174 HydrophobicContact CB-CD1 4.48Å; A167-F174 HydrophobicContact CB-CG 4.21Å; V172-F174 PolarHBondContact O-N 3.47Å; F174-P176 HydrophobicContact CD1-CG 4.15Å; F174-P176 HydrophobicContact CE1-CB 4.17Å; F174-P176 HydrophobicContact CE1-CG 4.26Å; F174-P176 WeakPolarHBondContact O-CD 3.23Å
175K85.4Confident82.6Confident147 Ų14786 Ų8664%0.63944%0.443SS*.  trans-99.8104.7176.2-71.3-178-178.4173.90109
176P80.5Confident81Confident46 Ų4687.6 Ų87.630%0.29945%0.448SS..  trans-68.5149.2-174.9-19.134.2000111.8I164 F174 M178 L181I164-P176 HydrophobicContact CD1-CB 3.85Å; I164-P176 HydrophobicContact CD1-CG 3.91Å; I164-P176 HydrophobicContact CG1-CB 3.93Å; I164-P176 HydrophobicContact CG1-CG 3.66Å; F174-P176 HydrophobicContact CD1-CG 4.15Å; F174-P176 HydrophobicContact CE1-CB 4.17Å; F174-P176 HydrophobicContact CE1-CG 4.26Å; F174-P176 WeakPolarHBondContact O-CD 3.23Å; P176-M178 VanDerWaalsContact C-N 3.34Å; P176-M178 PolarHBondContact O-N 3.03Å; P176-L181 HydrophobicContact CB-CD1 4.27Å
177N79.4Confident79.5Confident62 Ų6289.8 Ų89.833%0.33247%0.467SS..  trans-7488.6173.3-75.5-44.9000110.7R53 E160 K179 V180 L181R53-N177 PolarHBondContact NE-ND2 2.84Å; R53-N177 PolarHBondContact NH2-ND2 3.36Å; E160-N177 HydrophobicContact CG-CB 4.47Å; E160-N177 PolarHBondContact OE1-ND2 2.91Å; E160-N177 PolarHBondContact OE2-N 3.35Å; E160-N177 VanDerWaalsContact OE2-N 3.14Å; N177-K179 PolarHBondContact O-N 3.26Å; N177-V180 HydrophobicContact CB-CB 4.3Å; N177-V180 HydrophobicContact CB-CG2 4.04Å; N177-V180 PolarHBondContact O-N 2.89Å; N177-L181 WeakPolarHBondContact O-CD1 3.13Å; N177-L181 PolarHBondContact O-N 2.92Å
178M76.2Confident78.1Confident131 Ų13192.3 Ų92.365%0.64549%0.488SS*.Hα-helixtrans-56.1-25.2-178-63.7154.976.800113.8P176 K182P176-M178 VanDerWaalsContact C-N 3.34Å; P176-M178 PolarHBondContact O-N 3.03Å; M178-K182 WeakPolarHBondContact O-CB 3.45Å; M178-K182 VanDerWaalsContact O-CG 3.26Å; M178-K182 WeakPolarHBondContact O-CG 3.36Å; M178-K182 PolarHBondContact O-N 2.97Å
179K77.3Confident76.7Confident176 Ų17687.8 Ų87.877%0.76548%0.475SS*.Hα-helixtrans-64.3-44.3174.3-68.1-177.5179.8178.50111.5N177 E183N177-K179 PolarHBondContact O-N 3.26Å; K179-E183 PolarHBondContact O-N 3.47Å
180V77.7Confident75.4Confident24 Ų2487.4 Ų87.415%0.14546%0.462CS..Hα-helixtrans-70.2-40.9-179.5178.20000110.3K156 V157 E160 N177 K182 E183K156-V180 HydrophobicContact CB-CG1 3.75Å; V157-V180 HydrophobicContact CB-CG1 4.36Å; V157-V180 HydrophobicContact CG2-CG1 3.86Å; V157-V180 WeakPolarHBondContact CG2-O 3.37Å; E160-V180 HydrophobicContact CG-CB 4.14Å; E160-V180 HydrophobicContact CG-CG1 3.84Å; N177-V180 HydrophobicContact CB-CB 4.3Å; N177-V180 HydrophobicContact CB-CG2 4.04Å; N177-V180 PolarHBondContact O-N 2.89Å; V180-K182 VanDerWaalsContact C-N 3.35Å; V180-K182 PolarHBondContact O-N 2.95Å; V180-E183 PolarHBondContact O-N 3.4Å
181L76.5Confident74.3Confident46 Ų4686 Ų8624%0.24147%0.466CS..Hα-helixtrans-62.9-39.3177.5-8776.9000113E160 I164 P176 N177 E183 D184 D185E160-L181 HydrophobicContact CB-CD1 3.68Å; E160-L181 HydrophobicContact CG-CD1 4.32Å; I164-L181 HydrophobicContact CD1-CD1 4.37Å; I164-L181 HydrophobicContact CD1-CD2 3.82Å; P176-L181 HydrophobicContact CB-CD1 4.27Å; N177-L181 WeakPolarHBondContact O-CD1 3.13Å; N177-L181 PolarHBondContact O-N 2.92Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.01Å; L181-D184 PolarHBondContact O-N 3.17Å; L181-D185 PolarHBondContact O-N 2.88Å
182K73.3Confident73.3Confident134 Ų13488.5 Ų88.558%0.58346%0.462SS*.Hα-helixtrans-71.1-22.6-178.8-74.8178179.8-172.70113.8M178 V180 D184 D185 F186M178-K182 WeakPolarHBondContact O-CB 3.45Å; M178-K182 VanDerWaalsContact O-CG 3.26Å; M178-K182 WeakPolarHBondContact O-CG 3.36Å; M178-K182 PolarHBondContact O-N 2.97Å; V180-K182 VanDerWaalsContact C-N 3.35Å; V180-K182 PolarHBondContact O-N 2.95Å; K182-D184 VanDerWaalsContact C-N 3.3Å; K182-D185 PolarHBondContact O-N 3.14Å; K182-F186 PolarHBondContact O-N 3.3Å
183E68.6Low72.3Confident124 Ų12492.5 Ų92.558%0.57948%0.482SS*.Hα-helixtrans-64.2-36.7175.1-74.1172.8-175.700111.1K179 V180 L181 F186 A187K179-E183 PolarHBondContact O-N 3.47Å; V180-E183 PolarHBondContact O-N 3.4Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.01Å; E183-F186 PolarHBondContact O-N 2.92Å; E183-A187 WeakPolarHBondContact O-CB 3.1Å; E183-A187 PolarHBondContact O-N 3.48Å
184D61.6Low71.5Confident49 Ų4989.5 Ų89.526%0.26247%0.47SS..Hα-helixtrans-68.5-41.6172.6-95.810.5000111.7V157 K161 L181 K182 F186 A187 A188V157-D184 HydrophobicContact CB-CB 4.29Å; V157-D184 WeakPolarHBondContact CB-OD1 3.24Å; V157-D184 WeakPolarHBondContact CB-OD2 3.45Å; V157-D184 HydrophobicContact CG1-CB 3.8Å; V157-D184 WeakPolarHBondContact CG1-OD2 3.5Å; V157-D184 HydrophobicContact CG2-CB 4.16Å; V157-D184 VanDerWaalsContact CG2-CG 3.45Å; V157-D184 WeakPolarHBondContact CG2-OD1 3.2Å; K161-D184 IonicContact NZ-OD2 3.81Å; K161-D184 PolarHBondContact NZ-OD2 3.06Å; L181-D184 PolarHBondContact O-N 3.17Å; K182-D184 VanDerWaalsContact C-N 3.3Å; D184-F186 PolarHBondContact O-N 3.43Å; D184-A187 PolarHBondContact O-N 3.46Å; D184-A188 WeakPolarHBondContact O-CB 3.35Å; D184-A188 PolarHBondContact O-N 2.92Å
185D61.8Low70.5Confident112 Ų11291.9 Ų91.960%0.59948%0.484SS*.Hα-helixtrans-61.6-38177.8-69.5-24.9000110.7L181 K182 A189L181-D185 PolarHBondContact O-N 2.88Å; K182-D185 PolarHBondContact O-N 3.14Å; D185-A189 WeakPolarHBondContact O-CB 3.41Å; D185-A189 PolarHBondContact O-N 3.41Å
186F60.1Low69.6Low145 Ų14591.1 Ų91.164%0.63648%0.481SS*.Hα-helixtrans-69.1-46.6175.4-167.8-93.5000111.8K182 E183 D184 A189 E190K182-F186 PolarHBondContact O-N 3.3Å; E183-F186 PolarHBondContact O-N 2.92Å; D184-F186 PolarHBondContact O-N 3.43Å; F186-A189 PolarHBondContact O-N 2.78Å; F186-E190 VanDerWaalsContact O-CB 3.22Å; F186-E190 WeakPolarHBondContact O-CB 3.31Å; F186-E190 PolarHBondContact O-N 3.1Å
187A63.5Low69.1Low53 Ų5395.8 Ų95.844%0.43850%0.499SS..Hα-helixtrans-66-39.1179.300000112.6E183 D184 A191E183-A187 WeakPolarHBondContact O-CB 3.1Å; E183-A187 PolarHBondContact O-N 3.48Å; D184-A187 PolarHBondContact O-N 3.46Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 2.98Å
188A64.1Low68.5Low56 Ų5698.4 Ų98.446%0.46351%0.513SS..Hα-helixtrans-70-40.9175.600000111.6D184 A191 L192D184-A188 WeakPolarHBondContact O-CB 3.35Å; D184-A188 PolarHBondContact O-N 2.92Å; A188-A191 PolarHBondContact O-N 2.87Å; A188-L192 WeakPolarHBondContact O-CG 3.35Å; A188-L192 PolarHBondContact O-N 3.44Å
189A63.3Low67.8Low48 Ų4898.2 Ų98.240%0.39751%0.508SS..Hα-helixtrans-65.1-39.4173.800000112D185 F186 L192 L193D185-A189 WeakPolarHBondContact O-CB 3.41Å; D185-A189 PolarHBondContact O-N 3.41Å; F186-A189 PolarHBondContact O-N 2.78Å; A189-L192 PolarHBondContact O-N 3.01Å; A189-L193 WeakPolarHBondContact O-CB 3.38Å; A189-L193 WeakPolarHBondContact O-CG 3.48Å; A189-L193 PolarHBondContact O-N 3.05Å
190E65.5Low66.9Low100 Ų10093.5 Ų93.547%0.46749%0.491SS..Hα-helixtrans-65.2-44.3176.1-172.9174.9-172.900111.3F186 L192 L193 I194F186-E190 VanDerWaalsContact O-CB 3.22Å; F186-E190 WeakPolarHBondContact O-CB 3.31Å; F186-E190 PolarHBondContact O-N 3.1Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.48Å; E190-L193 PolarHBondContact O-N 3.35Å; E190-I194 HydrophobicContact CG-CD1 4.07Å; E190-I194 VanDerWaalsContact O-CG1 3.3Å; E190-I194 WeakPolarHBondContact O-CG1 3.48Å; E190-I194 PolarHBondContact O-N 3.42Å
191A68.7Low66Low59 Ų5995.8 Ų95.849%0.48851%0.513SS..Hα-helixtrans-60.6-39.9174.700000112.5A187 A188 D195A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 2.98Å; A188-A191 PolarHBondContact O-N 2.87Å; A191-D195 PolarHBondContact O-N 3.24Å; A191-D195 VanDerWaalsContact O-N 3.11Å
192L69.9Low65Low125 Ų12598.5 Ų98.565%0.65454%0.536SS*.Hα-helixtrans-68.7-38.2175.1-74.6172.1000112.6A188 A189 E190 D195 F196A188-L192 WeakPolarHBondContact O-CG 3.35Å; A188-L192 PolarHBondContact O-N 3.44Å; A189-L192 PolarHBondContact O-N 3.01Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.48Å; L192-D195 PolarHBondContact O-N 3.19Å; L192-F196 WeakPolarHBondContact O-CB 3.31Å; L192-F196 PolarHBondContact O-N 3.39Å
193L69.7Low64.1Low118 Ų11895 Ų9562%0.61853%0.532SS*.Hα-helixtrans-64.7-40.2175.3-79.6166.5000111.6A189 E190 F196 Q197A189-L193 WeakPolarHBondContact O-CB 3.38Å; A189-L193 WeakPolarHBondContact O-CG 3.48Å; A189-L193 PolarHBondContact O-N 3.05Å; E190-L193 PolarHBondContact O-N 3.35Å; L193-F196 PolarHBondContact O-N 3.37Å; L193-Q197 VanDerWaalsContact O-CB 3.29Å; L193-Q197 WeakPolarHBondContact O-CB 3.49Å; L193-Q197 PolarHBondContact O-N 2.86Å
194I71.9Confident63.1Low100 Ų10095.9 Ų95.951%0.51354%0.54SS..Hα-helixtrans-65.7-43.5177-67.8165.9000111E190 Q197 N198E190-I194 HydrophobicContact CG-CD1 4.07Å; E190-I194 VanDerWaalsContact O-CG1 3.3Å; E190-I194 WeakPolarHBondContact O-CG1 3.48Å; E190-I194 PolarHBondContact O-N 3.42Å; I194-Q197 PolarHBondContact O-N 3.35Å; I194-N198 WeakPolarHBondContact O-CB 3.37Å; I194-N198 PolarHBondContact O-N 3.23Å
195D66.5Low62.3Low74 Ų74100 Ų10040%0.39657%0.567SS.*Hα-helixtrans-66.8-38.1177-171.846.5000111.9A191 L192 N198 K199A191-D195 PolarHBondContact O-N 3.24Å; A191-D195 VanDerWaalsContact O-N 3.11Å; L192-D195 PolarHBondContact O-N 3.19Å; D195-N198 PolarHBondContact O-N 3.5Å; D195-K199 WeakPolarHBondContact O-CB 3.48Å; D195-K199 WeakPolarHBondContact O-CG 3.36Å; D195-K199 PolarHBondContact O-N 3.16Å; D195-K199 WeakPolarHBondContact OD1-CE 3.48Å; D195-K199 IonicContact OD1-NZ 2.78Å; D195-K199 WeakPolarHBondContact OD2-CE 3.32Å; D195-K199 IonicContact OD2-NZ 2.71Å; D195-K199 PolarHBondContact OD2-NZ 3.17Å
196F64.7Low61.2Low132 Ų132104.3 Ų104.358%0.57958%0.581SS**Hα-helixtrans-66.2-40.9174.4-166.2-100.1000112L192 L193 K199 N200L192-F196 WeakPolarHBondContact O-CB 3.31Å; L192-F196 PolarHBondContact O-N 3.39Å; L193-F196 PolarHBondContact O-N 3.37Å; F196-K199 PolarHBondContact O-N 3.17Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.36Å; F196-N200 WeakPolarHBondContact O-CB 3.21Å; F196-N200 PolarHBondContact O-N 3.45Å
197Q71.3Confident60.4Low144 Ų144101 Ų10167%0.67359%0.589SS**Hα-helixtrans-67.7-37.4177.7-165.1173.413.300111.7L193 I194 A201L193-Q197 VanDerWaalsContact O-CB 3.29Å; L193-Q197 WeakPolarHBondContact O-CB 3.49Å; L193-Q197 PolarHBondContact O-N 2.86Å; I194-Q197 PolarHBondContact O-N 3.35Å; Q197-A201 WeakPolarHBondContact O-CB 3.45Å; Q197-A201 PolarHBondContact O-N 3.22Å
198N66.4Low59.3Low117 Ų117104.2 Ų104.263%0.62661%0.608SS**Hα-helixtrans-71.4-37.6176.7-158.333.8000112I194 D195 S202I194-N198 WeakPolarHBondContact O-CB 3.37Å; I194-N198 PolarHBondContact O-N 3.23Å; D195-N198 PolarHBondContact O-N 3.5Å; N198-S202 PolarHBondContact O-N 3.31Å
199K62.2Low58.3Low127 Ų127105.2 Ų105.255%0.55262%0.616SS**Hα-helixtrans-68.8-40.7173.3-76.8172.5178.3161.90112.7D195 F196 S202 A203D195-K199 WeakPolarHBondContact O-CB 3.48Å; D195-K199 WeakPolarHBondContact O-CG 3.36Å; D195-K199 PolarHBondContact O-N 3.16Å; D195-K199 WeakPolarHBondContact OD1-CE 3.48Å; D195-K199 IonicContact OD1-NZ 2.78Å; D195-K199 WeakPolarHBondContact OD2-CE 3.32Å; D195-K199 IonicContact OD2-NZ 2.71Å; D195-K199 PolarHBondContact OD2-NZ 3.17Å; F196-K199 PolarHBondContact O-N 3.17Å; K199-S202 PolarHBondContact O-N 3.25Å; K199-A203 WeakPolarHBondContact O-CB 3.24Å; K199-A203 PolarHBondContact O-N 2.91Å; K199-A203 VanDerWaalsContact O-N 3.15Å
200N58.7Low57.1Low76 Ų76113.9 Ų113.941%0.40664%0.64SS.*Hα-helixtrans-73.2-31.1175.6-95.2-4.4000113.1F196 S202 A203 N204F196-N200 WeakPolarHBondContact CE1-ND2 3.36Å; F196-N200 WeakPolarHBondContact O-CB 3.21Å; F196-N200 PolarHBondContact O-N 3.45Å; N200-S202 VanDerWaalsContact C-N 3.27Å; N200-S202 PolarHBondContact O-N 2.91Å; N200-A203 PolarHBondContact O-N 3.05Å; N200-N204 WeakPolarHBondContact O-CB 3.45Å; N200-N204 PolarHBondContact O-N 3.41Å
201A57.8Low56.3Low72 Ų72114.9 Ų114.960%0.59566%0.658SS**Hα-helixtrans-66.1-30.2172.800000112.2Q197Q197-A201 WeakPolarHBondContact O-CB 3.45Å; Q197-A201 PolarHBondContact O-N 3.22Å
202S55.6Low55Low104 Ų104116 Ų11673%0.72768%0.676SS**Hα-helixtrans-86.3-13.6175-166.20000114.2N198 K199 N200N198-S202 PolarHBondContact O-N 3.31Å; K199-S202 PolarHBondContact O-N 3.25Å; N200-S202 VanDerWaalsContact C-N 3.27Å; N200-S202 PolarHBondContact O-N 2.91Å
203A54.8Low54Low60 Ų60118 Ų11850%0.49669%0.686SS.*Hα-helixtrans-103.5-10.8-177.200000114.4K199 N200 T205K199-A203 WeakPolarHBondContact O-CB 3.24Å; K199-A203 PolarHBondContact O-N 2.91Å; K199-A203 VanDerWaalsContact O-N 3.15Å; N200-A203 PolarHBondContact O-N 3.05Å; A203-T205 VanDerWaalsContact C-N 3.33Å; A203-T205 PolarHBondContact O-N 3.24Å
204N47.4Very low52.6Low143 Ų143121.9 Ų121.977%0.76570%0.699SS**THydrogen-bonded Turntrans-9028.6-177.9-107.923.3000115.6N200N200-N204 WeakPolarHBondContact O-CB 3.45Å; N200-N204 PolarHBondContact O-N 3.41Å
205T44.6Very low51.3Low135 Ų135119.7 Ų119.783%0.82870%0.701SS**THydrogen-bonded Turntrans-97.815.5169.6-48.60000112.3A203A203-T205 VanDerWaalsContact C-N 3.33Å; A203-T205 PolarHBondContact O-N 3.24Å
206F38.9Very low50.4Low202 Ų202121.7 Ų121.789%0.88672%0.721SS**SBendtrans-121.887.6-179.4-165.9-96.7000110.7
207G42.3Very low50Low77 Ų77123.2 Ų123.279%0.79474%0.735SS**  trans139.267.4166.600000116.1
208S41.2Very low49Very low120 Ų120121.9 Ų121.984%0.83974%0.739SS**  trans-151.988.6148.1-164.80000111.2
209A43.2Very low47.8Very low77 Ų77121.1 Ų121.164%0.63675%0.748SS**  trans-0.4125.313900000118.6
210Y38.7Very low46.9Very low230 Ų230124 Ų12490%0.90276%0.764SS**  trans54.695.5144.1-59.7-78.9000120.4
211S49Very low46.2Very low121 Ų121129.5 Ų129.585%0.84679%0.787SS**  trans-164.3114.3133.455.30000108.6
212G41Very low45.3Very low83 Ų83132.5 Ų132.586%0.85680%0.798SS**  trans-72.3150.3-177.700000113
213D47.5Very low44.8Very low165 Ų165133.6 Ų133.688%0.88280%0.8SS**  -162.6155.5127.6-158.512.1000109.6
214F41.7Very low44Very low200 Ų200135.9 Ų135.988%0.87781%0.812SS**  trans-87.9147-160.4-178-93.2000112.6
215G43.1Very low43.8Very low54 Ų54140.6 Ų140.656%0.55782%0.819SS**  trans131.993.4147.900000118.7
216S48.8Very low43.7Very low116 Ų116143.8 Ų143.881%0.81182%0.816SS**  trans58.49913460.10000122
217N56.6Low44.3Very low165 Ų165138 Ų13888%0.88281%0.805SS**  57.2152.4118.9-95.115.6000124.2
218P48.8Very low44.7Very low116 Ų116140.6 Ų140.675%0.75381%0.808SS**  trans-116.6163.6-142.541.8-30.1000114.2
219A43.1Very low44.9Very low100 Ų100142.2 Ų142.283%0.82680%0.803SS**  trans-153.3123.4155.600000110.4
220E42.4Very low45.7Very low189 Ų189146.4 Ų146.488%0.88381%0.814SS**  trans-13.6132.8154.7-60.2169.7161.300116.2
221E43.1Very low46.6Very low190 Ų190141.1 Ų141.189%0.88881%0.807SS**  -164.1136.8123.3-119.6178.2169.200113.6
222V40.7Very low46.3Very low135 Ų135144 Ų14482%0.81881%0.807SS**  trans-73.2124.1-178171.70000109.6
223V43.7Very low46.9Very low128 Ų128150 Ų15078%0.77681%0.81SS**  trans-126.499.6167.9-178.20000111
224S37.8Very low46.8Very low107 Ų107149 Ų14975%0.74881%0.805SS**  trans-56.4121.9164.7-176.50000110.9
225R44.2Very low47Very low243 Ų243143.8 Ų143.892%0.91780%0.798SS**  trans-92.7100.9170.3-73.6-171.5-177.5-149.71.1109.7
226R42.9Very low47Very low201 Ų201148.1 Ų148.176%0.75881%0.809SS**PPolyproline II helixtrans-70.9136.5168.1179.9169.9174.7174.6-3.1110.3E229R226-E229 IonicContact NH2-OE2 3.01Å; R226-E229 PolarHBondContact NH2-OE2 3.45Å
227A49.9Very low46.8Very low80 Ų80149.4 Ų149.466%0.66181%0.806SS**PPolyproline II helixtrans-72.3151.7173.900000111.8
228P51.3Low46.3Very low132 Ų132147.4 Ų147.486%0.85780%0.801SS**PPolyproline II helixtrans-82.8125.5-179.1-1.720.6000112
229E46.3Very low46Very low155 Ų155147.5 Ų147.572%0.72480%0.801SS**PPolyproline II helixtrans-72.3140.4166.3-79.5164.3126.600110.8R226R226-E229 IonicContact NH2-OE2 3.01Å; R226-E229 PolarHBondContact NH2-OE2 3.45Å
230L59.8Low46Very low165 Ų165147 Ų14786%0.86480%0.797SS**PPolyproline II helixtrans-87.9142.3169.4-81.1164.7000110.1
231P57.4Low45.6Very low118 Ų118144.8 Ų144.877%0.76680%0.797SS**PPolyproline II helixtrans-82.2133-169.731.8-34000113.4
232E43Very low45.5Very low181 Ų181139.8 Ų139.885%0.84679%0.788SS**PPolyproline II helixtrans-62.9148.1163-67.3-177.3145.500111.1
233K53.1Low45.7Very low211 Ų211139.1 Ų139.192%0.91779%0.789SS**  trans-128.7126.7164.5-118-174.5-179.8-177.40109.6
234D44.8Very low45.9Very low143 Ų143136.6 Ų136.677%0.76579%0.789SS**  trans-73.9164-169.3-56.7-72000115.6
235A45.5Very low46.2Very low90 Ų90138 Ų13874%0.74480%0.795SS**  trans69.6132.5148.800000116
236D44.7Very low46.5Very low145 Ų145137.4 Ų137.478%0.77580%0.795SS**  cis-167.1148.340.7-142.6-9.8000110.9
237N44.5Very low46.7Very low143 Ų143135.9 Ų135.977%0.76580%0.802SS**  trans64.1107.3154.2-93.8-31.4000123.6
238T45.4Very low46.7Very low124 Ų124134.8 Ų134.876%0.76180%0.798SS**  trans-72.1-172.2154.452.70000113
239P41.8Very low46.3Very low118 Ų118136.1 Ų136.177%0.76680%0.797SS**  -133.8165.6-65.339-22.4000112.3
240A43.1Very low46.5Very low90 Ų90138.5 Ų138.574%0.74481%0.806SS**  trans175.8118.3146.500000114
241T35.5Very low46.2Very low142 Ų142138.6 Ų138.687%0.87181%0.807SS**  40.2115.2125.2-30.30000120.9
242A41.3Very low46.3Very low84 Ų84139.7 Ų139.769%0.69481%0.806SS**  trans158.7101.3139.300000109.3
243S43.2Very low47.6Very low122 Ų122136.9 Ų136.985%0.85380%0.803SS**  58.6112.595.769.30000115.7
244G48.3Very low48.4Very low75 Ų75134.1 Ų134.177%0.77380%0.799SS**  trans126.6146.4154.300000115.4
245P44.9Very low49.6Very low135 Ų135132.7 Ų132.788%0.87780%0.797SS**  trans-109.3146.7-134.135.2-24.3000113.7
246Y49.5Very low50.7Low231 Ų231134.2 Ų134.291%0.90680%0.799SS**  trans-107.8112.7164.164.7-86.4000109.7
247D47.1Very low51.4Low169 Ų169131.6 Ų131.690%0.90480%0.798SS**  trans-78.4139.9168.7-166.28.8000108.5
248G50.1Low52Low57 Ų57135.5 Ų135.559%0.58880%0.803SS**  trans153.397.9171.800000117.1
249L42.5Very low52.1Low161 Ų161136.8 Ų136.884%0.84381%0.806SS**  trans68.292.3145.8-87.666.9000117.6
250F52.2Low52.3Low204 Ų204135.8 Ų135.890%0.89581%0.807SS**  -162.992.8126.3-95.3-71.7000108
251D51.6Low52.5Low168 Ų168139 Ų13990%0.89881%0.811SS**  trans-87.8104.3175.7-149.66.9000107.6
252L61.2Low53Low140 Ų140137.7 Ų137.773%0.73381%0.805SS**PPolyproline II helixtrans-103.9127174.4-93.8134.1000108.2
253P70.2Confident52.9Low122 Ų122141 Ų14179%0.79282%0.816SS**PPolyproline II helixtrans-72.3138.7-175.628.6-32.7000111.8
254D68.2Low52.9Low154 Ų154138.7 Ų138.782%0.82481%0.813SS**PPolyproline II helixtrans-60.2142.3174-73.5-42.2000112.1
255P71.6Confident52.5Low113 Ų113139.1 Ų139.173%0.73482%0.817SS**PPolyproline II helixtrans-69.1145.5172.829.2-33.4000111.3
256P68.3Low52.4Low121 Ų121137.3 Ų137.379%0.78681%0.813SS**PPolyproline II helixtrans-65.7139.2-176.226.5-33.8000112.3Y258P256-Y258 PolarHBondContact O-N 2.87Å
257A59.2Low52.2Low91 Ų91131.4 Ų131.475%0.75280%0.803SS**PPolyproline II helixtrans-61.5128.6171.300000110.4D259A257-D259 PolarHBondContact O-N 3.12Å
258Y55.9Low51.9Low224 Ų224130.6 Ų130.688%0.87880%0.797SS**  trans-78.2112.1170.236.9-87.8000109P256 A260P256-Y258 PolarHBondContact O-N 2.87Å; Y258-A260 PolarHBondContact O-N 3.11Å
259D49.1Very low51.6Low152 Ų152134.5 Ų134.581%0.81381%0.809SS**  trans-60.7129.5171.3-82.4-39.2000111.1A257A257-D259 PolarHBondContact O-N 3.12Å
260A44.6Very low51.3Low96 Ų96132 Ų13279%0.79381%0.805SS**  trans-76.6128.316700000110Y258Y258-A260 PolarHBondContact O-N 3.11Å
261L48.5Very low51Low159 Ų159129 Ų12983%0.83280%0.804SS**  trans-137.2154.9167.3-83177.2000110.8
262P44.8Very low50.3Low114 Ų114128.7 Ų128.774%0.7480%0.802SS**  -109.4166.2-117.938.7-36000115.2
263T39.5Very low49.4Very low152 Ų152128.9 Ų128.993%0.93381%0.81SS**  trans-57.5134.7170.9-30.60000112.5
264G43.7Very low48.1Very low75 Ų75127.1 Ų127.177%0.77381%0.805SS**  trans-171.3109.5169.600000115.1
265G40.3Very low46.8Very low83 Ų83125 Ų12586%0.85680%0.802SS**  trans67115.1135.100000121.5
266A41.4Very low45.4Very low97 Ų97126.4 Ų126.480%0.80281%0.809SS**  trans-68.2-165.616300000112.7
267P45.3Very low44.1Very low107 Ų107128.9 Ų128.970%0.69581%0.81SS**  cis-141.1167.8-6.823.63.2000117.7
268I42.5Very low43.2Very low153 Ų153131.6 Ų131.679%0.78582%0.817SS**  trans38.3121.3137.5-43.4158.4000121.4
269V43.2Very low42.4Very low138 Ų138127.8 Ų127.884%0.83681%0.812SS**  trans-149.1131.7142.5175.60000110.8
270S36.7Very low42.1Very low109 Ų109126.1 Ų126.176%0.76281%0.808SS**  trans-108.1143170.4-56.60000110.6
271T44.6Very low42Very low140 Ų140127.9 Ų127.986%0.85980%0.804SS**  trans-149.6141.2158.838.90000112.3
272N37.5Very low41.8Very low163 Ų163127.9 Ų127.987%0.87280%0.802SS**  trans-89.1153.9-176.9-77.6-31.9000113.1
273T41.8Very low41.9Very low144 Ų144127.9 Ų127.988%0.88380%0.799SS**  trans-158.7103.7154-10.10000108.7
274A42.6Very low42Very low84 Ų84128 Ų12869%0.69479%0.794SS**  7810389.400000116.7
275S42.8Very low42Very low109 Ų109128 Ų12876%0.76279%0.794SS**  trans40.5134.1135.154.80000122.9
276T41.2Very low42.2Very low143 Ų143131.1 Ų131.188%0.87779%0.791SS**  -173.3137.7113.9-60.80000111.1
277Q41.1Very low42.4Very low174 Ų174131.3 Ų131.381%0.81378%0.782SS**  trans-95.5151.1176.6-68.3168.8-7.600111.3
278T40.6Very low42.2Very low147 Ų147134.9 Ų134.990%0.90279%0.79SS**  trans-160.7131.3144.534.60000111.4
279D37.7Very low42.1Very low144 Ų144131.4 Ų131.477%0.7778%0.784SS**  trans-85.5172.2-177-74.6-53.4000115
280T43.9Very low41.8Very low117 Ų117130.6 Ų130.672%0.71878%0.78SS**  trans114120.8137.453.90000121.1
281N42.8Very low41.8Very low134 Ų134133.1 Ų133.172%0.71778%0.784SS**  trans69.5146.1131.9-66.5-12.8000119.1
282M43.4Very low41.4Very low159 Ų159131 Ų13178%0.78378%0.781SS**  cis-179.1167.1-4.3-116-172-175.200107.1
283V47.9Very low41.5Very low114 Ų114128.7 Ų128.769%0.69178%0.778SS**  trans95.5111.4143.4162.10000121.8
284D40.9Very low41.3Very low153 Ų153129.4 Ų129.482%0.81878%0.776SS**  trans65.5138.1132.3-56.8-14.2000125.3
285G43.7Very low41.2Very low75 Ų75132.5 Ų132.577%0.77378%0.776SS**  trans147.568.8144.200000120.7
286N44.2Very low41.2Very low149 Ų149138.5 Ų138.580%0.79778%0.784SS**  trans48.2144.9133.6-149.423.2000125.1
287T46.2Very low41.7Very low101 Ų101138.2 Ų138.262%0.6277%0.772SS**  trans95.7100.5140.113.80000123.5
288Q41.2Very low42.5Very low183 Ų183136.4 Ų136.486%0.85577%0.773SS**  46.7116.8124.8-81.4176-200124.4
289A39.6Very low43.5Very low80 Ų80135.6 Ų135.666%0.66176%0.762SS**  100.8131109.100000122.4
290T36.8Very low45.3Very low121 Ų121133.2 Ų133.274%0.74275%0.75SS**  trans80.1106.4152.370.10000120
291N36.6Very low46.8Very low162 Ų162136.5 Ų136.587%0.86675%0.75SS**  166.4139.196.6-93.6-31.8000111.4
292A37.9Very low48.6Very low94 Ų94136.1 Ų136.178%0.77775%0.748SS**  trans-83.6135.9-17500000112.8
293S39.4Very low50.6Low116 Ų116132.8 Ų132.881%0.81173%0.734SS**  trans170.6141.1134.632.90000111.4
294N37.1Very low52.1Low159 Ų159131.5 Ų131.585%0.8572%0.722SS**  trans71.693.5174.6-70.2-6.2000118.2
295Q39.8Very low54.1Low148 Ų148130.8 Ų130.869%0.69271%0.712SS**  trans-130.497.4157.1-75-173.4-31.300109.9E297Q295-E297 HydrophobicContact CB-CG 4.26Å; Q295-E297 HydrophobicContact CG-CG 4.19Å; Q295-E297 PolarHBondContact NE2-OE1 3.21Å
296Y43.9Very low56.1Low236 Ų236135.8 Ų135.893%0.92571%0.708SS**  trans-86.383.4136.2-70.8-81000104.6V298Y296-V298 PolarHBondContact O-N 2.9Å
297E51.5Low57.9Low136 Ų136137.1 Ų137.164%0.63670%0.702SS**  trans-67.1112.5172.4-103.5177.2175.300107.4Q295 L299Q295-E297 HydrophobicContact CB-CG 4.26Å; Q295-E297 HydrophobicContact CG-CG 4.19Å; Q295-E297 PolarHBondContact NE2-OE1 3.21Å; E297-L299 PolarHBondContact O-N 2.9Å; E297-L299 VanDerWaalsContact O-N 3.09Å
298V57.9Low59.8Low137 Ų137138.9 Ų138.983%0.8370%0.701SS**  trans-52.5115.8163.5175.60000106.3Y296 D300Y296-V298 PolarHBondContact O-N 2.9Å; V298-D300 PolarHBondContact O-N 3.25Å
299L60.6Low62Low129 Ų129134.8 Ų134.868%0.67568%0.682SS**  trans-62.5101.7177.7-72.4166.1000108.6E297 Y301 L304E297-L299 PolarHBondContact O-N 2.9Å; E297-L299 VanDerWaalsContact O-N 3.09Å; L299-Y301 PolarHBondContact O-N 3.11Å; L299-L304 HydrophobicContact CD2-CD1 4.43Å
300D76.6Confident64.2Low94 Ų94137 Ų13750%0.50368%0.678SS.*  trans-73.7107.4172.4-170.1-4000108.8V298 D302 D303 L304V298-D300 PolarHBondContact O-N 3.25Å; D300-D302 PolarHBondContact O-N 3.24Å; D300-D302 PolarHBondContact OD1-N 2.97Å; D300-D302 VanDerWaalsContact OD1-N 3.14Å; D300-D303 HydrophobicContact CB-CB 4.08Å; D300-D303 PolarHBondContact O-N 3.23Å; D300-D303 VanDerWaalsContact O-N 3.14Å; D300-L304 PolarHBondContact O-N 2.84Å; D300-L304 VanDerWaalsContact O-N 3.14Å
301Y74.1Confident66.2Low186 Ų186137 Ų13773%0.72967%0.674SS**Hα-helixtrans-60.8-28.6179.8-90.9-91.6000111.9L299 F305L299-Y301 PolarHBondContact O-N 3.11Å; Y301-F305 WeakPolarHBondContact O-CB 3.32Å; Y301-F305 PolarHBondContact O-N 2.87Å
302D82.4Confident68.4Low127 Ų127136.8 Ų136.868%0.67967%0.665SS**Hα-helixtrans-71.4-34.8177.9-71.8-22.8000111.2D300 F305 R306D300-D302 PolarHBondContact O-N 3.24Å; D300-D302 PolarHBondContact OD1-N 2.97Å; D300-D302 VanDerWaalsContact OD1-N 3.14Å; D302-F305 PolarHBondContact O-N 2.72Å; D302-R306 WeakPolarHBondContact O-CB 3.12Å; D302-R306 PolarHBondContact O-N 2.68Å
303D84.3Confident70.5Confident89 Ų89140.5 Ų140.548%0.47666%0.663SS.*Hα-helixtrans-72.5-38.4176.1-162.543.3000112.1D300 R306 R307D300-D303 HydrophobicContact CB-CB 4.08Å; D300-D303 PolarHBondContact O-N 3.23Å; D300-D303 VanDerWaalsContact O-N 3.14Å; D303-R306 PolarHBondContact O-N 2.6Å; D303-R307 PolarHBondContact O-N 3.37Å
304L79.2Confident72.2Confident87 Ų87145.2 Ų145.246%0.45566%0.663SS.*Hα-helixtrans-62.7-41.5171.5-82.2169.4000112.2L299 D300 R307 F308L299-L304 HydrophobicContact CD2-CD1 4.43Å; D300-L304 PolarHBondContact O-N 2.84Å; D300-L304 VanDerWaalsContact O-N 3.14Å; L304-R307 PolarHBondContact O-N 3.37Å; L304-F308 WeakPolarHBondContact O-CB 3.34Å; L304-F308 PolarHBondContact O-N 3.48Å
305F83.4Confident73.5Confident138 Ų138149.2 Ų149.261%0.60568%0.676SS**Hα-helixtrans-66-40.9176.8-166.2-95.1000111.3Y301 D302 F308 E309Y301-F305 WeakPolarHBondContact O-CB 3.32Å; Y301-F305 PolarHBondContact O-N 2.87Å; D302-F305 PolarHBondContact O-N 2.72Å; F305-F308 PolarHBondContact O-N 3.01Å; F305-E309 HydrophobicContact CD1-CG 4.36Å; F305-E309 HydrophobicContact CE1-CG 4.03Å; F305-E309 PolarHBondContact O-N 2.89Å
306R85.9Confident75.2Confident180 Ų180149.3 Ų149.368%0.67968%0.676SS**Hα-helixtrans-59.1-46.6172.6-115.6178.1177.5171.10.1112.3D302 D303 F308 E309 E310D302-R306 WeakPolarHBondContact O-CB 3.12Å; D302-R306 PolarHBondContact O-N 2.68Å; D303-R306 PolarHBondContact O-N 2.6Å; R306-F308 VanDerWaalsContact C-N 3.32Å; R306-F308 PolarHBondContact O-N 3.02Å; R306-E309 PolarHBondContact O-N 3.42Å; R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 3.08Å
307R81.7Confident76.8Confident177 Ų177144.7 Ų144.767%0.66866%0.662SS**Hα-helixtrans-62.6-37.4175.9-94.8-174163.2177.90.4112.9D303 L304 E310 L311D303-R307 PolarHBondContact O-N 3.37Å; L304-R307 PolarHBondContact O-N 3.37Å; R307-E310 PolarHBondContact O-N 3.3Å; R307-L311 PolarHBondContact O-N 3.02Å
308F85.9Confident78.2Confident138 Ų138145.2 Ų145.261%0.60566%0.664SS**Hα-helixtrans-68.8-41.1177.9-168.4-96.4000112L304 F305 R306 L311 K312L304-F308 WeakPolarHBondContact O-CB 3.34Å; L304-F308 PolarHBondContact O-N 3.48Å; F305-F308 PolarHBondContact O-N 3.01Å; R306-F308 VanDerWaalsContact C-N 3.32Å; R306-F308 PolarHBondContact O-N 3.02Å; F308-L311 PolarHBondContact O-N 3.21Å; F308-K312 PolarHBondContact O-N 2.68Å; F308-K312 VanDerWaalsContact O-N 3.12Å
309E87.7Confident79.4Confident97 Ų97145.6 Ų145.645%0.45365%0.654SS.*Hα-helixtrans-61-42172-88.7-97.213900112.1F305 R306 K312 K313F305-E309 HydrophobicContact CD1-CG 4.36Å; F305-E309 HydrophobicContact CE1-CG 4.03Å; F305-E309 PolarHBondContact O-N 2.89Å; R306-E309 PolarHBondContact O-N 3.42Å; E309-K312 PolarHBondContact O-N 3.14Å; E309-K313 PolarHBondContact O-N 2.69Å
310E85.3Confident80.6Confident125 Ų125146.7 Ų146.758%0.58465%0.653SS**Hα-helixtrans-65-37.7176.6-77.2-176.9176.500112.8R306 R307 K312 K313R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 3.08Å; R307-E310 PolarHBondContact O-N 3.3Å; E310-K312 VanDerWaalsContact C-N 3.33Å; E310-K313 PolarHBondContact O-N 3.12Å
311L78.8Confident80.9Confident123 Ų123150.2 Ų150.264%0.64466%0.663SS**Hα-helixtrans-68.8-34.7177.4-159.478.6000111.6R307 F308 K313 R314R307-L311 PolarHBondContact O-N 3.02Å; F308-L311 PolarHBondContact O-N 3.21Å; L311-K313 PolarHBondContact O-N 3.01Å; L311-R314 PolarHBondContact O-N 3.07Å
312K84.2Confident81.4Confident157 Ų157147.6 Ų147.668%0.68366%0.658SS**Hα-helixtrans-69.9-17.9178.3-143.5-179.2176.4-173.10113.4F308 E309 E310F308-K312 PolarHBondContact O-N 2.68Å; F308-K312 VanDerWaalsContact O-N 3.12Å; E309-K312 PolarHBondContact O-N 3.14Å; E310-K312 VanDerWaalsContact C-N 3.33Å
313K81.8Confident81.3Confident172 Ų172149.2 Ų149.275%0.74866%0.656SS**THydrogen-bonded Turntrans-88.6-6.3173.7-79.5178.2177.8168.30114.1E309 E310 L311E309-K313 PolarHBondContact O-N 2.69Å; E310-K313 PolarHBondContact O-N 3.12Å; L311-K313 PolarHBondContact O-N 3.01Å
314R75.1Confident81Confident214 Ų214154.3 Ų154.381%0.80867%0.671SS**  trans-97.56.6-179-82.9-164.4-164-1716.7115.5L311L311-R314 PolarHBondContact O-N 3.07Å
315H63.3Low81.2Confident243 Ų243160.4 Ų160.4100%1.12569%0.691SS**  trans-130.20172.8-99.3-59.7000110.7

Retrieved 315 of 315 residues in 244.5 ms (Link to these results)

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