A0A5K4F7W8_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F7W8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M67.5Low78Confident201 Ų201115.7 Ų115.799%0.9956%0.563SS**  0-520-88.7-175.9148.300114.3S3 L4 V5M1-S3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-V5 PolarHBondContact O-N 2.83Å
2K78.3Confident78.2Confident186 Ų186115.8 Ų115.881%0.80956%0.561SS**Hα-helixtrans-57.5-39.7-177.6-72-179.4179.7175.90114.4V5 N6K2-V5 PolarHBondContact O-N 3.16Å; K2-N6 PolarHBondContact O-N 3.41Å; K2-N6 VanDerWaalsContact O-N 3.14Å
3S79.5Confident78.3Confident85 Ų85115.8 Ų115.859%0.59456%0.561SS**Hα-helixtrans-60.1-46.8178.454.90000112.9M1 V5 N6 L7M1-S3 PolarHBondContact O-N 3.49Å; S3-V5 VanDerWaalsContact C-N 3.34Å; S3-V5 PolarHBondContact O-N 3.06Å; S3-N6 PolarHBondContact O-N 2.75Å; S3-L7 PolarHBondContact O-N 3.49Å
4L77.6Confident78.4Confident91 Ų91111.7 Ų111.748%0.47654%0.544SS..Hα-helixtrans-61.4-39.4178.9-68.9171.8000112.6M1 L7 R8 M87M1-L4 PolarHBondContact O-N 2.93Å; L4-L7 PolarHBondContact O-N 3.45Å; L4-R8 PolarHBondContact O-N 3.32Å; L4-M87 HydrophobicContact CD2-CE 4.03Å; L4-M87 HydrophobicContact CD2-SD 3.37Å; L4-M87 WeakPolarHBondContact CD2-SD 3.37Å
5V79.4Confident78.6Confident81 Ų81108.5 Ų108.549%0.49153%0.527SS..Hα-helixtrans-66.1-42.4177.2176.60000110.8M1 K2 S3 L7 R8 K9M1-V5 PolarHBondContact O-N 2.83Å; K2-V5 PolarHBondContact O-N 3.16Å; S3-V5 VanDerWaalsContact C-N 3.34Å; S3-V5 PolarHBondContact O-N 3.06Å; V5-L7 VanDerWaalsContact C-N 3.35Å; V5-R8 PolarHBondContact O-N 3.1Å; V5-K9 WeakPolarHBondContact O-CG 3.38Å; V5-K9 PolarHBondContact O-N 3.29Å; V5-K9 VanDerWaalsContact O-N 3.07Å
6N80.9Confident79Confident91 Ų91105.3 Ų105.349%0.48751%0.513SS..Hα-helixtrans-63.7-41.5176.2-74.1-6.7000111.5K2 S3 R8 K9 I10K2-N6 PolarHBondContact O-N 3.41Å; K2-N6 VanDerWaalsContact O-N 3.14Å; S3-N6 PolarHBondContact O-N 2.75Å; N6-R8 PolarHBondContact O-N 2.8Å; N6-K9 PolarHBondContact O-N 3.36Å; N6-I10 VanDerWaalsContact O-CG1 3.31Å; N6-I10 WeakPolarHBondContact O-CG1 3.4Å; N6-I10 PolarHBondContact O-N 2.8Å
7L77.1Confident79.2Confident48 Ų48103.9 Ų103.925%0.25151%0.512SS..Hα-helixtrans-60.8-44.9177.2-140.492000111.9S3 L4 V5 K9 I10 F11 I83 M87S3-L7 PolarHBondContact O-N 3.49Å; L4-L7 PolarHBondContact O-N 3.45Å; V5-L7 VanDerWaalsContact C-N 3.35Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 3.48Å; L7-I10 PolarHBondContact O-N 3.4Å; L7-F11 PolarHBondContact O-N 3.3Å; L7-I83 HydrophobicContact CD2-CG1 4.48Å; L7-I83 HydrophobicContact CD2-CG2 3.39Å; L7-I83 HydrophobicContact CG-CG2 4.46Å; L7-M87 HydrophobicContact CD2-CG 4.47Å; L7-M87 HydrophobicContact CD2-SD 4.28Å
8R81.6Confident79.3Confident200 Ų200100 Ų10076%0.75550%0.495SS*.Hα-helixtrans-63.2-39.8177.4-170.1-176.5-69.5-172.4-2.4112.1L4 V5 N6 F11 H12L4-R8 PolarHBondContact O-N 3.32Å; V5-R8 PolarHBondContact O-N 3.1Å; N6-R8 PolarHBondContact O-N 2.8Å; R8-F11 WeakPolarHBondContact O-CB 3.34Å; R8-F11 PolarHBondContact O-N 3.45Å; R8-H12 PolarHBondContact O-N 3.47Å
9K81.2Confident79.4Confident136 Ų136101.3 Ų101.359%0.59150%0.497SS*.Hα-helixtrans-62.6-46.5174.2-75-179.4179.6-177.60111.5V5 N6 L7 F11 H12 M13V5-K9 WeakPolarHBondContact O-CG 3.38Å; V5-K9 PolarHBondContact O-N 3.29Å; V5-K9 VanDerWaalsContact O-N 3.07Å; N6-K9 PolarHBondContact O-N 3.36Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 3.48Å; K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 2.93Å; K9-H12 PolarHBondContact O-N 2.9Å; K9-M13 VanDerWaalsContact O-CG 3.29Å; K9-M13 WeakPolarHBondContact O-CG 3.37Å; K9-M13 PolarHBondContact O-N 3.48Å
10I80.3Confident79.6Confident93 Ų93104 Ų10448%0.47750%0.503SS..Hα-helixtrans-58.9-41.5176.7-67.3164.3000110.3N6 L7 M13 N14N6-I10 VanDerWaalsContact O-CG1 3.31Å; N6-I10 WeakPolarHBondContact O-CG1 3.4Å; N6-I10 PolarHBondContact O-N 2.8Å; L7-I10 PolarHBondContact O-N 3.4Å; I10-M13 PolarHBondContact O-N 3.35Å; I10-N14 WeakPolarHBondContact O-CB 3.44Å; I10-N14 VanDerWaalsContact O-CG 3.25Å; I10-N14 PolarHBondContact O-N 3.18Å; I10-N14 PolarHBondContact O-OD1 3.39Å
11F74.2Confident79.8Confident61 Ų61101.4 Ų101.427%0.26849%0.493SS..Hα-helixtrans-60.6-49.6176.3-170-82.8000112.5L7 R8 K9 M13 N14 E15 F76 R80L7-F11 PolarHBondContact O-N 3.3Å; R8-F11 WeakPolarHBondContact O-CB 3.34Å; R8-F11 PolarHBondContact O-N 3.45Å; K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 2.93Å; F11-M13 VanDerWaalsContact C-N 3.27Å; F11-M13 PolarHBondContact O-N 3.04Å; F11-N14 PolarHBondContact O-N 2.79Å; F11-E15 HydrophobicContact CE1-CB 4.5Å; F11-E15 WeakPolarHBondContact O-CB 3.22Å; F11-E15 PolarHBondContact O-N 3.46Å; F11-F76 HydrophobicContact CZ-CZ 4.21Å; F11-R80 HydrophobicContact CE2-CG 3.82Å; F11-R80 HydrophobicContact CZ-CG 4.17Å
12H80.2Confident80.6Confident116 Ų11695.6 Ų95.654%0.53746%0.464SS..Hα-helixtrans-61-39.8-180-169.6-93.3000111.2R8 K9 I16R8-H12 PolarHBondContact O-N 3.47Å; K9-H12 PolarHBondContact O-N 2.9Å; H12-I16 VanDerWaalsContact CE1-CD1 3.42Å; H12-I16 WeakPolarHBondContact CE1-CD1 3.48Å; H12-I16 WeakPolarHBondContact ND1-CD1 3.41Å; H12-I16 WeakPolarHBondContact O-CB 2.97Å; H12-I16 VanDerWaalsContact O-CG1 3.22Å; H12-I16 WeakPolarHBondContact O-CG1 3.42Å; H12-I16 PolarHBondContact O-N 3.06Å
13M80.4Confident81Confident116 Ų11691.8 Ų91.857%0.57145%0.452SS*.Hα-helixtrans-65.5-44.6174.3-65.5-63.8-76.400111.8K9 I10 F11 E15 I16 V17K9-M13 VanDerWaalsContact O-CG 3.29Å; K9-M13 WeakPolarHBondContact O-CG 3.37Å; K9-M13 PolarHBondContact O-N 3.48Å; I10-M13 PolarHBondContact O-N 3.35Å; F11-M13 VanDerWaalsContact C-N 3.27Å; F11-M13 PolarHBondContact O-N 3.04Å; M13-E15 PolarHBondContact O-N 3.04Å; M13-I16 PolarHBondContact O-N 3.19Å; M13-V17 VanDerWaalsContact O-CG2 3.26Å; M13-V17 WeakPolarHBondContact O-CG2 3.48Å; M13-V17 PolarHBondContact O-N 3.04Å
14N79.9Confident81.2Confident59 Ų5992.4 Ų92.432%0.31645%0.448SS..Hα-helixtrans-63-41177.5-74.2-4.2000111.9I10 F11 V17 V18 F76I10-N14 WeakPolarHBondContact O-CB 3.44Å; I10-N14 VanDerWaalsContact O-CG 3.25Å; I10-N14 PolarHBondContact O-N 3.18Å; I10-N14 PolarHBondContact O-OD1 3.39Å; F11-N14 PolarHBondContact O-N 2.79Å; N14-V17 PolarHBondContact O-N 3.15Å; N14-V18 WeakPolarHBondContact O-CB 2.97Å; N14-V18 WeakPolarHBondContact O-CG2 3.09Å; N14-V18 PolarHBondContact O-N 2.87Å; N14-F76 HydrophobicContact CB-CE2 4.31Å
15E81.6Confident81.5Confident64 Ų6488.6 Ų88.630%0.29943%0.429SS..Hα-helixtrans-63-43.7176-171.1-173.9155.200111.1F11 M13 V18 K19 F76F11-E15 HydrophobicContact CE1-CB 4.5Å; F11-E15 WeakPolarHBondContact O-CB 3.22Å; F11-E15 PolarHBondContact O-N 3.46Å; M13-E15 PolarHBondContact O-N 3.04Å; E15-V18 PolarHBondContact O-N 3.24Å; E15-K19 WeakPolarHBondContact O-CG 3.32Å; E15-K19 PolarHBondContact O-N 2.99Å; E15-K19 VanDerWaalsContact OE1-CE 3.24Å; E15-K19 WeakPolarHBondContact OE1-CE 3.39Å; E15-K19 IonicContact OE1-NZ 2.7Å; E15-K19 PolarHBondContact OE1-NZ 3.35Å; E15-F76 HydrophobicContact CB-CE2 4.34Å; E15-F76 HydrophobicContact CB-CZ 4.06Å; E15-F76 HydrophobicContact CG-CZ 4.2Å
16I84.1Confident81.6Confident57 Ų5787.7 Ų87.729%0.29243%0.426SS..Hα-helixtrans-60.1-48.8174.3-73.2169.2000110.6H12 M13 V18 K19 Y20H12-I16 VanDerWaalsContact CE1-CD1 3.42Å; H12-I16 WeakPolarHBondContact CE1-CD1 3.48Å; H12-I16 WeakPolarHBondContact ND1-CD1 3.41Å; H12-I16 WeakPolarHBondContact O-CB 2.97Å; H12-I16 VanDerWaalsContact O-CG1 3.22Å; H12-I16 WeakPolarHBondContact O-CG1 3.42Å; H12-I16 PolarHBondContact O-N 3.06Å; M13-I16 PolarHBondContact O-N 3.19Å; I16-V18 VanDerWaalsContact C-N 3.34Å; I16-V18 PolarHBondContact O-N 3.3Å; I16-K19 PolarHBondContact O-N 3.25Å; I16-Y20 HydrophobicContact CG2-CD2 3.47Å; I16-Y20 VanDerWaalsContact CG2-CD2 3.47Å; I16-Y20 HydrophobicContact CG2-CE2 3.32Å; I16-Y20 WeakPolarHBondContact O-CD2 3.47Å; I16-Y20 PolarHBondContact O-N 3.13Å
17V82.5Confident81.7Confident82 Ų8286.5 Ų86.550%0.49742%0.422SS..Hα-helixtrans-59.1-45.8179.1170.10000110.6M13 N14 K19 Y20 V21M13-V17 VanDerWaalsContact O-CG2 3.26Å; M13-V17 WeakPolarHBondContact O-CG2 3.48Å; M13-V17 PolarHBondContact O-N 3.04Å; N14-V17 PolarHBondContact O-N 3.15Å; V17-K19 PolarHBondContact O-N 2.88Å; V17-Y20 PolarHBondContact O-N 3.3Å; V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.35Å
18V80.7Confident82Confident33 Ų3389 Ų8920%0.243%0.434CS..Hα-helixtrans-62.7-42.6177.1169.20000111.4N14 E15 I16 Y20 V21 M22 V72 F76N14-V18 WeakPolarHBondContact O-CB 2.97Å; N14-V18 WeakPolarHBondContact O-CG2 3.09Å; N14-V18 PolarHBondContact O-N 2.87Å; E15-V18 PolarHBondContact O-N 3.24Å; I16-V18 VanDerWaalsContact C-N 3.34Å; I16-V18 PolarHBondContact O-N 3.3Å; V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 PolarHBondContact O-N 3.46Å; V18-V21 PolarHBondContact O-N 2.86Å; V18-M22 HydrophobicContact CG1-CG 4.15Å; V18-M22 WeakPolarHBondContact O-CB 3.31Å; V18-M22 WeakPolarHBondContact O-CG 3.26Å; V18-M22 PolarHBondContact O-N 2.98Å; V18-V72 HydrophobicContact CG1-CG1 4.21Å; V18-V72 HydrophobicContact CG2-CG1 4.44Å; V18-F76 HydrophobicContact CB-CD2 4.22Å; V18-F76 HydrophobicContact CB-CE2 4.48Å; V18-F76 HydrophobicContact CG2-CB 4.22Å; V18-F76 HydrophobicContact CG2-CD2 3.51Å; V18-F76 HydrophobicContact CG2-CE2 4.12Å; V18-F76 HydrophobicContact CG2-CG 4.08Å
19K82.1Confident82.1Confident125 Ų12581.4 Ų81.454%0.54341%0.408SS..Hα-helixtrans-59.1-43.4174.7-76176.4-175.9168.20111.7E15 I16 V17 M22 L23E15-K19 WeakPolarHBondContact O-CG 3.32Å; E15-K19 PolarHBondContact O-N 2.99Å; E15-K19 VanDerWaalsContact OE1-CE 3.24Å; E15-K19 WeakPolarHBondContact OE1-CE 3.39Å; E15-K19 IonicContact OE1-NZ 2.7Å; E15-K19 PolarHBondContact OE1-NZ 3.35Å; I16-K19 PolarHBondContact O-N 3.25Å; V17-K19 PolarHBondContact O-N 2.88Å; K19-M22 PolarHBondContact O-N 3.02Å; K19-L23 WeakPolarHBondContact O-CB 3.5Å; K19-L23 PolarHBondContact O-N 3.47Å
20Y83.7Confident82.1Confident155 Ų15580.5 Ų80.561%0.60841%0.407SS*.Hα-helixtrans-66-41.6176.5-80.9-64.6000112.8I16 V17 V18 L23 L24I16-Y20 HydrophobicContact CG2-CD2 3.47Å; I16-Y20 VanDerWaalsContact CG2-CD2 3.47Å; I16-Y20 HydrophobicContact CG2-CE2 3.32Å; I16-Y20 WeakPolarHBondContact O-CD2 3.47Å; I16-Y20 PolarHBondContact O-N 3.13Å; V17-Y20 PolarHBondContact O-N 3.3Å; V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 PolarHBondContact O-N 3.46Å; Y20-L23 PolarHBondContact O-N 3.21Å; Y20-L24 VanDerWaalsContact O-CB 3.29Å; Y20-L24 WeakPolarHBondContact O-CB 3.46Å; Y20-L24 PolarHBondContact O-N 2.92Å
21V84Confident82.3Confident49 Ų4980.8 Ų80.830%0.29741%0.409SS..Hα-helixtrans-63.2-44.9175.6172.40000110.3V17 V18 L23 L24 V25 V72V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.35Å; V18-V21 PolarHBondContact O-N 2.86Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 2.99Å; V21-L24 PolarHBondContact O-N 2.72Å; V21-V25 HydrophobicContact CG1-CG2 4.26Å; V21-V25 WeakPolarHBondContact O-CB 3.39Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 3.38Å; V21-V72 HydrophobicContact CG1-CG1 4.09Å; V21-V72 HydrophobicContact CG1-CG2 3.94Å
22M83.8Confident82.5Confident80 Ų8079.1 Ų79.139%0.39441%0.406SS..Hα-helixtrans-60.8-43.1176.4-70.1-68.3-63.600111.8V18 K19 V25 S26 L69V18-M22 HydrophobicContact CG1-CG 4.15Å; V18-M22 WeakPolarHBondContact O-CB 3.31Å; V18-M22 WeakPolarHBondContact O-CG 3.26Å; V18-M22 PolarHBondContact O-N 2.98Å; K19-M22 PolarHBondContact O-N 3.02Å; M22-V25 PolarHBondContact O-N 2.92Å; M22-S26 WeakPolarHBondContact O-CB 3.15Å; M22-S26 PolarHBondContact O-N 3.23Å; M22-L69 HydrophobicContact CE-CD2 3.68Å; M22-L69 HydrophobicContact SD-CD2 3.42Å; M22-L69 WeakPolarHBondContact SD-CD2 3.31Å
23L85.3Confident82.6Confident105 Ų10577.6 Ų77.655%0.5540%0.4SS..Hα-helixtrans-64.4-45.1176.6-17864.6000111.6K19 Y20 V21 V25 S26 T27K19-L23 WeakPolarHBondContact O-CB 3.5Å; K19-L23 PolarHBondContact O-N 3.47Å; Y20-L23 PolarHBondContact O-N 3.21Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 2.99Å; L23-V25 PolarHBondContact O-N 2.99Å; L23-S26 PolarHBondContact O-N 3.47Å; L23-T27 WeakPolarHBondContact O-CB 3.28Å; L23-T27 PolarHBondContact O-N 2.91Å; L23-T27 PolarHBondContact O-OG1 3.41Å
24L84.7Confident82.6Confident98 Ų9877.5 Ų77.551%0.51340%0.397SS..Hα-helixtrans-59.5-47.4177179.965.1000110.8Y20 V21 T27 M28Y20-L24 VanDerWaalsContact O-CB 3.29Å; Y20-L24 WeakPolarHBondContact O-CB 3.46Å; Y20-L24 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 2.72Å; L24-T27 PolarHBondContact O-N 3.48Å; L24-M28 HydrophobicContact CD1-CE 3.92Å; L24-M28 VanDerWaalsContact O-CG 3.28Å; L24-M28 WeakPolarHBondContact O-CG 3.34Å; L24-M28 PolarHBondContact O-N 2.84Å
25V82.8Confident82.6Confident12 Ų1277 Ų777%0.07340%0.402CS..Hα-helixtrans-64.5-42.5179.3175.70000111.3V21 M22 L23 T27 M28 L29 I65 L68 L69V21-V25 HydrophobicContact CG1-CG2 4.26Å; V21-V25 WeakPolarHBondContact O-CB 3.39Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 3.38Å; M22-V25 PolarHBondContact O-N 2.92Å; L23-V25 PolarHBondContact O-N 2.99Å; V25-T27 VanDerWaalsContact C-N 3.33Å; V25-T27 PolarHBondContact O-N 2.95Å; V25-M28 PolarHBondContact O-N 3.49Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 PolarHBondContact O-N 2.94Å; V25-I65 HydrophobicContact CG1-CG2 3.56Å; V25-L68 HydrophobicContact CG2-CD2 3.97Å; V25-L69 HydrophobicContact CB-CD2 3.91Å; V25-L69 HydrophobicContact CG1-CD1 4.06Å; V25-L69 HydrophobicContact CG1-CD2 3.53Å; V25-L69 HydrophobicContact CG1-CG 3.64Å
26S82.5Confident82.1Confident62 Ų6275.5 Ų75.543%0.43440%0.396SS..Hα-helixtrans-61.6-41.5174.8-173.10000112M22 L23 L29 M30M22-S26 WeakPolarHBondContact O-CB 3.15Å; M22-S26 PolarHBondContact O-N 3.23Å; L23-S26 PolarHBondContact O-N 3.47Å; S26-L29 WeakPolarHBondContact O-CB 3.41Å; S26-L29 PolarHBondContact O-N 2.97Å; S26-M30 WeakPolarHBondContact O-CG 3.33Å; S26-M30 PolarHBondContact O-N 3.41Å
27T83.8Confident81.8Confident66 Ų6676.8 Ų76.841%0.40541%0.406SS..Hα-helixtrans-64.5-43.3176.9-54.70000111.2L23 L24 V25 L29 M30 I31L23-T27 WeakPolarHBondContact O-CB 3.28Å; L23-T27 PolarHBondContact O-N 2.91Å; L23-T27 PolarHBondContact O-OG1 3.41Å; L24-T27 PolarHBondContact O-N 3.48Å; V25-T27 VanDerWaalsContact C-N 3.33Å; V25-T27 PolarHBondContact O-N 2.95Å; T27-L29 VanDerWaalsContact C-N 3.32Å; T27-L29 PolarHBondContact O-N 3.43Å; T27-M30 PolarHBondContact O-N 3.49Å; T27-I31 HydrophobicContact CG2-CD1 3.95Å; T27-I31 VanDerWaalsContact O-CG1 3.25Å; T27-I31 WeakPolarHBondContact O-CG1 3.14Å; T27-I31 PolarHBondContact O-N 3.28Å
28M82.5Confident81.4Confident100 Ų10077 Ų7749%0.49341%0.405SS..Hα-helixtrans-64.2-37.9176-68.9-65.317400111.9L24 V25 I31 A32L24-M28 HydrophobicContact CD1-CE 3.92Å; L24-M28 VanDerWaalsContact O-CG 3.28Å; L24-M28 WeakPolarHBondContact O-CG 3.34Å; L24-M28 PolarHBondContact O-N 2.84Å; V25-M28 PolarHBondContact O-N 3.49Å; M28-I31 PolarHBondContact O-N 3.16Å; M28-A32 WeakPolarHBondContact O-CB 3.48Å; M28-A32 PolarHBondContact O-N 3.41Å
29L83Confident81Confident40 Ų4079.7 Ų79.721%0.20942%0.416CS..Hα-helixtrans-62.3-49.3174.3-177.664.2000111V25 S26 T27 I31 A32 E33 I62 I65V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 PolarHBondContact O-N 2.94Å; S26-L29 WeakPolarHBondContact O-CB 3.41Å; S26-L29 PolarHBondContact O-N 2.97Å; T27-L29 VanDerWaalsContact C-N 3.32Å; T27-L29 PolarHBondContact O-N 3.43Å; L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 2.89Å; L29-A32 PolarHBondContact O-N 3.31Å; L29-A32 VanDerWaalsContact O-N 3.16Å; L29-E33 HydrophobicContact CD1-CG 4.47Å; L29-E33 WeakPolarHBondContact O-CG 3.43Å; L29-E33 PolarHBondContact O-N 2.89Å; L29-I62 HydrophobicContact CD1-CG1 4.46Å; L29-I65 HydrophobicContact CB-CD1 4.15Å; L29-I65 HydrophobicContact CB-CG2 4.42Å; L29-I65 HydrophobicContact CD1-CD1 3.96Å; L29-I65 HydrophobicContact CD1-CG2 4.28Å
30M82.9Confident80.5Confident117 Ų11779 Ų7958%0.57641%0.413SS*.Hα-helixtrans-59.2-43.3177.4-72.3-69.3-6400112.2S26 T27 A32 E33 Q34S26-M30 WeakPolarHBondContact O-CG 3.33Å; S26-M30 PolarHBondContact O-N 3.41Å; T27-M30 PolarHBondContact O-N 3.49Å; M30-A32 VanDerWaalsContact C-N 3.33Å; M30-A32 PolarHBondContact O-N 3.41Å; M30-E33 PolarHBondContact O-N 3.47Å; M30-Q34 WeakPolarHBondContact O-CB 3.25Å; M30-Q34 PolarHBondContact O-N 2.87Å
31I83.5Confident79.8Confident99 Ų9978.1 Ų78.151%0.50841%0.414SS..Hα-helixtrans-62.7-43.3176.8-69.4166.4000110.4T27 M28 L29 Q34 A35T27-I31 HydrophobicContact CG2-CD1 3.95Å; T27-I31 VanDerWaalsContact O-CG1 3.25Å; T27-I31 WeakPolarHBondContact O-CG1 3.14Å; T27-I31 PolarHBondContact O-N 3.28Å; M28-I31 PolarHBondContact O-N 3.16Å; L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 2.89Å; I31-Q34 PolarHBondContact O-N 3.5Å; I31-A35 VanDerWaalsContact O-CB 3.26Å; I31-A35 WeakPolarHBondContact O-CB 3.31Å; I31-A35 PolarHBondContact O-N 3.28Å
32A79.2Confident79.1Confident26 Ų2682.7 Ų82.722%0.21543%0.43CS..Hα-helixtrans-67-40.3178.700000112.5M28 L29 M30 L36 F61M28-A32 WeakPolarHBondContact O-CB 3.48Å; M28-A32 PolarHBondContact O-N 3.41Å; L29-A32 PolarHBondContact O-N 3.31Å; L29-A32 VanDerWaalsContact O-N 3.16Å; M30-A32 VanDerWaalsContact C-N 3.33Å; M30-A32 PolarHBondContact O-N 3.41Å; A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 PolarHBondContact O-N 3.47Å; A32-F61 HydrophobicContact CB-CD1 3.85Å; A32-F61 HydrophobicContact CB-CE1 3.15Å; A32-F61 HydrophobicContact CB-CZ 3.86Å
33E81Confident78.2Confident85 Ų8581.2 Ų81.240%0.39742%0.421SS..Hα-helixtrans-63.1-42.6173.8-74.5-177.1171.500111.7L29 M30 L36 V37L29-E33 HydrophobicContact CD1-CG 4.47Å; L29-E33 WeakPolarHBondContact O-CG 3.43Å; L29-E33 PolarHBondContact O-N 2.89Å; M30-E33 PolarHBondContact O-N 3.47Å; E33-L36 VanDerWaalsContact O-CB 3.31Å; E33-L36 WeakPolarHBondContact O-CB 3.37Å; E33-L36 PolarHBondContact O-N 3.32Å; E33-V37 WeakPolarHBondContact O-CG2 3.46Å; E33-V37 PolarHBondContact O-N 3.34Å
34Q81.9Confident77.2Confident113 Ų11380.6 Ų80.653%0.52843%0.426SS..Hα-helixtrans-68.3-44.7177.6-169.365.82300112M30 I31 L36 V37 N38M30-Q34 WeakPolarHBondContact O-CB 3.25Å; M30-Q34 PolarHBondContact O-N 2.87Å; I31-Q34 PolarHBondContact O-N 3.5Å; Q34-L36 PolarHBondContact O-N 2.91Å; Q34-V37 PolarHBondContact O-N 3.27Å; Q34-N38 WeakPolarHBondContact O-CB 3.45Å; Q34-N38 PolarHBondContact O-N 2.77Å
35A78.3Confident76.3Confident49 Ų4982.6 Ų82.641%0.40544%0.436SS..Hα-helixtrans-57.9-37.2173.200000110.5I31 N38 M39I31-A35 VanDerWaalsContact O-CB 3.26Å; I31-A35 WeakPolarHBondContact O-CB 3.31Å; I31-A35 PolarHBondContact O-N 3.28Å; A35-N38 PolarHBondContact O-N 2.9Å; A35-M39 WeakPolarHBondContact O-CB 3.32Å; A35-M39 VanDerWaalsContact O-CG 3.22Å; A35-M39 WeakPolarHBondContact O-CG 3.29Å; A35-M39 PolarHBondContact O-N 3.22Å
36L72.5Confident75.2Confident33 Ų3385.5 Ų85.517%0.17346%0.455CS..Hα-helixtrans-66.3-48.3175.5172.158.6000113A32 E33 Q34 N38 M39 K40 Q58A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 PolarHBondContact O-N 3.47Å; E33-L36 VanDerWaalsContact O-CB 3.31Å; E33-L36 WeakPolarHBondContact O-CB 3.37Å; E33-L36 PolarHBondContact O-N 3.32Å; Q34-L36 PolarHBondContact O-N 2.91Å; L36-N38 PolarHBondContact O-N 2.92Å; L36-M39 PolarHBondContact O-N 3.47Å; L36-M39 VanDerWaalsContact O-N 3.15Å; L36-K40 HydrophobicContact CD1-CD 4.25Å; L36-K40 HydrophobicContact CD1-CG 3.97Å; L36-K40 HydrophobicContact CG-CD 4.37Å; L36-K40 HydrophobicContact CG-CG 4.5Å; L36-K40 WeakPolarHBondContact O-CB 3.46Å; L36-K40 PolarHBondContact O-N 3.33Å; L36-Q58 HydrophobicContact CD1-CG 3.58Å; L36-Q58 HydrophobicContact CD2-CB 4.3Å; L36-Q58 HydrophobicContact CD2-CG 3.76Å; L36-Q58 HydrophobicContact CG-CG 4.27Å
37V76.5Confident74.2Confident84 Ų8486.7 Ų86.751%0.50946%0.464SS..Hα-helixtrans-56.9-43.1175.8171.60000110.2E33 Q34 M39 K40 H41E33-V37 WeakPolarHBondContact O-CG2 3.46Å; E33-V37 PolarHBondContact O-N 3.34Å; Q34-V37 PolarHBondContact O-N 3.27Å; V37-M39 PolarHBondContact O-N 2.92Å; V37-K40 PolarHBondContact O-N 2.93Å; V37-H41 WeakPolarHBondContact O-CB 3.4Å; V37-H41 PolarHBondContact O-N 2.91Å
38N75.5Confident73.3Confident87 Ų8789.8 Ų89.847%0.46548%0.478SS..Hα-helixtrans-62.4-42.3176.5-72.2-8.8000112.5Q34 A35 L36 H41 K42Q34-N38 WeakPolarHBondContact O-CB 3.45Å; Q34-N38 PolarHBondContact O-N 2.77Å; A35-N38 PolarHBondContact O-N 2.9Å; L36-N38 PolarHBondContact O-N 2.92Å; N38-H41 PolarHBondContact O-N 2.91Å; N38-K42 WeakPolarHBondContact O-CG 3.36Å; N38-K42 PolarHBondContact O-N 2.87Å
39M72.6Confident72.3Confident88 Ų8891.3 Ų91.343%0.43349%0.487SS..Hα-helixtrans-67.1-47176.3-73.8-65.7-121.400111.3A35 L36 V37 H41 K42 F43A35-M39 WeakPolarHBondContact O-CB 3.32Å; A35-M39 VanDerWaalsContact O-CG 3.22Å; A35-M39 WeakPolarHBondContact O-CG 3.29Å; A35-M39 PolarHBondContact O-N 3.22Å; L36-M39 PolarHBondContact O-N 3.47Å; L36-M39 VanDerWaalsContact O-N 3.15Å; V37-M39 PolarHBondContact O-N 2.92Å; M39-H41 PolarHBondContact O-N 3.39Å; M39-K42 PolarHBondContact O-N 3.48Å; M39-K42 VanDerWaalsContact O-N 3.1Å; M39-F43 HydrophobicContact CB-CD2 3.96Å; M39-F43 HydrophobicContact CB-CE2 3.85Å; M39-F43 HydrophobicContact CE-CE2 4.08Å; M39-F43 HydrophobicContact CE-CZ 4.36Å; M39-F43 HydrophobicContact CG-CE2 4.29Å; M39-F43 WeakPolarHBondContact O-CB 3.28Å; M39-F43 WeakPolarHBondContact O-CD2 3.4Å; M39-F43 WeakPolarHBondContact O-CG 3.42Å; M39-F43 PolarHBondContact O-N 3Å; M39-F43 HydrophobicContact SD-CE2 3.77Å; M39-F43 HydrophobicContact SD-CZ 4.31Å
40K71Confident71.3Confident110 Ų11091.3 Ų91.348%0.47849%0.489SS..Hα-helixtrans-55.4-41.1174.7-78.9-176.9176.5177.70111.4L36 V37 F43 S44L36-K40 HydrophobicContact CD1-CD 4.25Å; L36-K40 HydrophobicContact CD1-CG 3.97Å; L36-K40 HydrophobicContact CG-CD 4.37Å; L36-K40 HydrophobicContact CG-CG 4.5Å; L36-K40 WeakPolarHBondContact O-CB 3.46Å; L36-K40 PolarHBondContact O-N 3.33Å; V37-K40 PolarHBondContact O-N 2.93Å; K40-F43 PolarHBondContact O-N 2.84Å; K40-S44 WeakPolarHBondContact O-CB 3.41Å; K40-S44 PolarHBondContact O-N 3.31Å
41H68.2Low70.3Confident138 Ų13889.3 Ų89.364%0.63948%0.48SS*.Hα-helixtrans-63.6-46.7175.3-173.5-85.1000112.2V37 N38 M39 F43V37-H41 WeakPolarHBondContact O-CB 3.4Å; V37-H41 PolarHBondContact O-N 2.91Å; N38-H41 PolarHBondContact O-N 2.91Å; M39-H41 PolarHBondContact O-N 3.39Å; H41-F43 VanDerWaalsContact C-N 3.33Å; H41-F43 PolarHBondContact O-N 3.44Å
42K70.4Confident69.5Low144 Ų14489.3 Ų89.363%0.62649%0.485SS*.Hα-helixtrans-62.6-38.2175.5-72.3-179.1178.9-176.80112.4N38 M39N38-K42 WeakPolarHBondContact O-CG 3.36Å; N38-K42 PolarHBondContact O-N 2.87Å; M39-K42 PolarHBondContact O-N 3.48Å; M39-K42 VanDerWaalsContact O-N 3.1Å
43F64.6Low69Low49 Ų4993.6 Ų93.622%0.21550%0.503CS..Hα-helixtrans-83.8-20.9-177.9-68.1-58.1000114.2M39 K40 H41 I45 C46 T50 M54M39-F43 HydrophobicContact CB-CD2 3.96Å; M39-F43 HydrophobicContact CB-CE2 3.85Å; M39-F43 HydrophobicContact CE-CE2 4.08Å; M39-F43 HydrophobicContact CE-CZ 4.36Å; M39-F43 HydrophobicContact CG-CE2 4.29Å; M39-F43 WeakPolarHBondContact O-CB 3.28Å; M39-F43 WeakPolarHBondContact O-CD2 3.4Å; M39-F43 WeakPolarHBondContact O-CG 3.42Å; M39-F43 PolarHBondContact O-N 3Å; M39-F43 HydrophobicContact SD-CE2 3.77Å; M39-F43 HydrophobicContact SD-CZ 4.31Å; K40-F43 PolarHBondContact O-N 2.84Å; H41-F43 VanDerWaalsContact C-N 3.33Å; H41-F43 PolarHBondContact O-N 3.44Å; F43-I45 PolarHBondContact O-N 3.44Å; F43-I45 VanDerWaalsContact O-N 3.16Å; F43-C46 HydrophobicContact CD1-CB 4.42Å; F43-C46 CarbonylContact O-C 3.12Å; F43-C46 WeakPolarHBondContact O-CA 3.31Å; F43-C46 PolarHBondContact O-N 3.36Å; F43-T50 HydrophobicContact CD1-CG2 3.27Å; F43-T50 HydrophobicContact CD2-CG2 4.46Å; F43-T50 HydrophobicContact CE1-CG2 3.4Å; F43-T50 HydrophobicContact CG-CG2 3.86Å; F43-T50 HydrophobicContact CZ-CG2 4.09Å; F43-M54 HydrophobicContact CE2-CG 4.38Å
44S63.3Low68.3Low93 Ų9392.4 Ų92.465%0.6550%0.498SS*.Hα-helixtrans-54.5-31.9168.9-171.60000111.1K40K40-S44 WeakPolarHBondContact O-CB 3.41Å; K40-S44 PolarHBondContact O-N 3.31Å
45I66.8Low67.8Low140 Ų14090.2 Ų90.272%0.71849%0.492SS*.SBendtrans-74.4-30.3173.8-54.2173.5000111.6F43F43-I45 PolarHBondContact O-N 3.44Å; F43-I45 VanDerWaalsContact O-N 3.16Å
46C60Low67.5Low72 Ų7291 Ų9149%0.48649%0.493SS..SBendtrans-105.982.8-179.2-79.60000111.8F43 T50F43-C46 HydrophobicContact CD1-CB 4.42Å; F43-C46 CarbonylContact O-C 3.12Å; F43-C46 WeakPolarHBondContact O-CA 3.31Å; F43-C46 PolarHBondContact O-N 3.36Å; C46-T50 PolarHBondContact O-OG1 3.43Å
47S61.3Low67.6Low87 Ų8794.3 Ų94.361%0.60851%0.51SS*.  trans42.3137.1158.8176.80000118.6L49 T50S47-L49 PolarHBondContact O-N 2.83Å; S47-T50 PolarHBondContact O-N 2.91Å
48N64.4Low67.2Low132 Ų13291.8 Ų91.871%0.70649%0.493SS*.Hα-helixtrans-42-26.9179.3-74.3-11.2000116.2T50 I51N48-T50 PolarHBondContact O-N 3.3Å; N48-I51 PolarHBondContact O-N 2.85Å
49L62.7Low67.3Low131 Ų13191.8 Ų91.869%0.68650%0.496SS*.Hα-helixtrans-64.3-37.5-179.5-158.172.8000113.6S47 I51 V52S47-L49 PolarHBondContact O-N 2.83Å; L49-I51 VanDerWaalsContact C-N 3.32Å; L49-I51 PolarHBondContact O-N 3.35Å; L49-V52 PolarHBondContact O-N 2.84Å
50T61.1Low67.6Low40 Ų4092.8 Ų92.825%0.24550%0.503CS..Hα-helixtrans-71.6-30.9-177.4-32.20000112F43 C46 S47 N48 V52 M54F43-T50 HydrophobicContact CD1-CG2 3.27Å; F43-T50 HydrophobicContact CD2-CG2 4.46Å; F43-T50 HydrophobicContact CE1-CG2 3.4Å; F43-T50 HydrophobicContact CG-CG2 3.86Å; F43-T50 HydrophobicContact CZ-CG2 4.09Å; C46-T50 PolarHBondContact O-OG1 3.43Å; S47-T50 PolarHBondContact O-N 2.91Å; N48-T50 PolarHBondContact O-N 3.3Å; T50-V52 VanDerWaalsContact C-N 3.33Å; T50-V52 PolarHBondContact O-N 3.27Å; T50-M54 WeakPolarHBondContact O-CG 3.32Å; T50-M54 PolarHBondContact O-N 3.33Å
51I61.8Low68Low75 Ų7592.3 Ų92.339%0.38550%0.501SS..Hα-helixtrans-62.7-42.6176.6-60174.6000110.1N48 L49 L53 M54 V55N48-I51 PolarHBondContact O-N 2.85Å; L49-I51 VanDerWaalsContact C-N 3.32Å; L49-I51 PolarHBondContact O-N 3.35Å; I51-L53 PolarHBondContact O-N 2.9Å; I51-M54 PolarHBondContact O-N 3.46Å; I51-V55 HydrophobicContact CG2-CG2 4.36Å; I51-V55 VanDerWaalsContact O-CG2 3.32Å; I51-V55 WeakPolarHBondContact O-CG2 3.36Å; I51-V55 PolarHBondContact O-N 3.1Å
52V66.4Low68.6Low100 Ų10089.1 Ų89.161%0.60649%0.488SS*.Hα-helixtrans-62.9-39.8-176.9176.10000112.4L49 T50 P56L49-V52 PolarHBondContact O-N 2.84Å; T50-V52 VanDerWaalsContact C-N 3.33Å; T50-V52 PolarHBondContact O-N 3.27Å; V52-P56 WeakPolarHBondContact O-CD 3.39Å
53L68.3Low69.1Low115 Ų11586.9 Ų86.960%0.60248%0.482SS*.Hα-helixtrans-75.5-30.3179.9-70.9170.8000113I51 P56I51-L53 PolarHBondContact O-N 2.9Å; L53-P56 WeakPolarHBondContact O-CD 3.41Å; L53-P56 WeakPolarHBondContact O-CG 3.2Å
54M66.4Low69.9Low61 Ų6188.8 Ų88.830%0.350%0.498SS..Hα-helixtrans-79.1-34.4-176.6-70.1-69.4120.700112.4F43 T50 I51 I57 Q58F43-M54 HydrophobicContact CE2-CG 4.38Å; T50-M54 WeakPolarHBondContact O-CG 3.32Å; T50-M54 PolarHBondContact O-N 3.33Å; I51-M54 PolarHBondContact O-N 3.46Å; M54-I57 HydrophobicContact CE-CD1 3.94Å; M54-I57 PolarHBondContact O-N 3.27Å; M54-Q58 VanDerWaalsContact CB-NE2 3.3Å; M54-Q58 WeakPolarHBondContact O-CG 3.35Å; M54-Q58 PolarHBondContact O-N 3.22Å; M54-Q58 PolarHBondContact O-NE2 2.97Å
55V70.9Confident70.7Confident66 Ų6685.1 Ų85.140%0.447%0.471SS..Hα-helixtrans-53.4-50178171.50000113.7I51 I57 Q58 T59I51-V55 HydrophobicContact CG2-CG2 4.36Å; I51-V55 VanDerWaalsContact O-CG2 3.32Å; I51-V55 WeakPolarHBondContact O-CG2 3.36Å; I51-V55 PolarHBondContact O-N 3.1Å; V55-I57 PolarHBondContact O-N 3.47Å; V55-Q58 WeakPolarHBondContact O-CB 3.21Å; V55-Q58 PolarHBondContact O-N 2.92Å; V55-T59 PolarHBondContact O-N 3.47Å; V55-T59 PolarHBondContact O-OG1 2.92Å; V55-T59 VanDerWaalsContact O-OG1 3.13Å
56P71.9Confident71.5Confident66 Ų6683.7 Ų83.743%0.42946%0.461SS..Hα-helixtrans-67.1-38-17922-31.1000113V52 L53 Q58 T59 L60V52-P56 WeakPolarHBondContact O-CD 3.39Å; L53-P56 WeakPolarHBondContact O-CD 3.41Å; L53-P56 WeakPolarHBondContact O-CG 3.2Å; P56-Q58 PolarHBondContact O-N 3.46Å; P56-T59 PolarHBondContact O-N 3.42Å; P56-L60 WeakPolarHBondContact O-CB 3.36Å; P56-L60 WeakPolarHBondContact O-CD1 3.17Å; P56-L60 PolarHBondContact O-N 3.28Å
57I75.7Confident72.4Confident102 Ų10284.5 Ų84.552%0.52346%0.46SS..Hα-helixtrans-60.4-38.2174.7-62.7171.8000110M54 V55 F61M54-I57 HydrophobicContact CE-CD1 3.94Å; M54-I57 PolarHBondContact O-N 3.27Å; V55-I57 PolarHBondContact O-N 3.47Å; I57-F61 PolarHBondContact O-N 2.85Å
58Q68.1Low73.4Confident32 Ų3284.6 Ų84.615%0.1545%0.453CS..Hα-helixtrans-66.6-48176.8-65153.729.100112.2L36 M54 V55 P56 L60 F61 I62L36-Q58 HydrophobicContact CD1-CG 3.58Å; L36-Q58 HydrophobicContact CD2-CB 4.3Å; L36-Q58 HydrophobicContact CD2-CG 3.76Å; L36-Q58 HydrophobicContact CG-CG 4.27Å; M54-Q58 VanDerWaalsContact CB-NE2 3.3Å; M54-Q58 WeakPolarHBondContact O-CG 3.35Å; M54-Q58 PolarHBondContact O-N 3.22Å; M54-Q58 PolarHBondContact O-NE2 2.97Å; V55-Q58 WeakPolarHBondContact O-CB 3.21Å; V55-Q58 PolarHBondContact O-N 2.92Å; P56-Q58 PolarHBondContact O-N 3.46Å; Q58-L60 VanDerWaalsContact C-N 3.27Å; Q58-L60 PolarHBondContact O-N 3.43Å; Q58-F61 PolarHBondContact O-N 3.34Å; Q58-I62 WeakPolarHBondContact O-CG1 3.39Å; Q58-I62 PolarHBondContact O-N 3.28Å
59T76.9Confident74.2Confident87 Ų8780.1 Ų80.153%0.53443%0.429SS..Hα-helixtrans-60-40.5178.5-52.10000110.9V55 P56 L63V55-T59 PolarHBondContact O-N 3.47Å; V55-T59 PolarHBondContact O-OG1 2.92Å; V55-T59 VanDerWaalsContact O-OG1 3.13Å; P56-T59 PolarHBondContact O-N 3.42Å; T59-L63 WeakPolarHBondContact O-CB 3.26Å; T59-L63 PolarHBondContact O-N 3.2Å
60L78.9Confident75Confident109 Ų10977.2 Ų77.257%0.57141%0.413SS*.Hα-helixtrans-63.1-43.8175.5-82.6157.3000112.5P56 Q58 L63 T64P56-L60 WeakPolarHBondContact O-CB 3.36Å; P56-L60 WeakPolarHBondContact O-CD1 3.17Å; P56-L60 PolarHBondContact O-N 3.28Å; Q58-L60 VanDerWaalsContact C-N 3.27Å; Q58-L60 PolarHBondContact O-N 3.43Å; L60-L63 PolarHBondContact O-N 2.87Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 3.42Å; L60-T64 PolarHBondContact O-OG1 2.93Å
61F80Confident75.9Confident100 Ų10079.7 Ų79.744%0.43943%0.425SS..Hα-helixtrans-65.5-47.3179.5-174.5-96.2000112.1A32 I57 Q58 L63 T64 I65A32-F61 HydrophobicContact CB-CD1 3.85Å; A32-F61 HydrophobicContact CB-CE1 3.15Å; A32-F61 HydrophobicContact CB-CZ 3.86Å; I57-F61 PolarHBondContact O-N 2.85Å; Q58-F61 PolarHBondContact O-N 3.34Å; F61-L63 VanDerWaalsContact C-N 3.35Å; F61-L63 PolarHBondContact O-N 3.05Å; F61-T64 PolarHBondContact O-N 2.87Å; F61-I65 HydrophobicContact CD1-CD1 3.89Å; F61-I65 HydrophobicContact CE1-CD1 3.18Å; F61-I65 HydrophobicContact CE1-CG1 4.13Å; F61-I65 HydrophobicContact CZ-CD1 3.59Å; F61-I65 HydrophobicContact CZ-CG1 4.33Å; F61-I65 PolarHBondContact O-N 3.14Å
62I80.8Confident76.7Confident71 Ų7177.5 Ų77.536%0.36442%0.415SS..Hα-helixtrans-61.9-44.5177.1-65.6170.6000110.3L29 Q58 T64 I65 H66L29-I62 HydrophobicContact CD1-CG1 4.46Å; Q58-I62 WeakPolarHBondContact O-CG1 3.39Å; Q58-I62 PolarHBondContact O-N 3.28Å; I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 PolarHBondContact O-N 3.46Å; I62-I65 PolarHBondContact O-N 3.29Å; I62-H66 WeakPolarHBondContact O-CB 3.38Å; I62-H66 PolarHBondContact O-N 3.29Å
63L81.7Confident77.3Confident96 Ų9680.6 Ų80.650%0.50342%0.416SS..Hα-helixtrans-60.6-40.9177.1-177.164000111.7T59 L60 F61 H66 L67T59-L63 WeakPolarHBondContact O-CB 3.26Å; T59-L63 PolarHBondContact O-N 3.2Å; L60-L63 PolarHBondContact O-N 2.87Å; F61-L63 VanDerWaalsContact C-N 3.35Å; F61-L63 PolarHBondContact O-N 3.05Å; L63-H66 PolarHBondContact O-N 2.97Å; L63-L67 HydrophobicContact CD1-CD1 4.48Å; L63-L67 HydrophobicContact CG-CD1 4.11Å; L63-L67 WeakPolarHBondContact O-CB 3.18Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3Å
64T81.5Confident77.7Confident89 Ų8978.5 Ų78.555%0.54641%0.405SS..Hα-helixtrans-63.9-45178.1-57.10000111.4L60 F61 I62 H66 L67 L68L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 3.42Å; L60-T64 PolarHBondContact O-OG1 2.93Å; F61-T64 PolarHBondContact O-N 2.87Å; I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 PolarHBondContact O-N 3.46Å; T64-H66 VanDerWaalsContact C-N 3.33Å; T64-H66 PolarHBondContact O-N 3.24Å; T64-L67 PolarHBondContact O-N 3.46Å; T64-L68 WeakPolarHBondContact O-CB 3.38Å; T64-L68 PolarHBondContact O-N 2.95Å
65I80.2Confident78.1Confident17 Ų1782.4 Ų82.49%0.08743%0.425CS..Hα-helixtrans-61.2-43.9174.3-74.3-177.6000110.9V25 L29 F61 I62 L67 L68 L69V25-I65 HydrophobicContact CG1-CG2 3.56Å; L29-I65 HydrophobicContact CB-CD1 4.15Å; L29-I65 HydrophobicContact CB-CG2 4.42Å; L29-I65 HydrophobicContact CD1-CD1 3.96Å; L29-I65 HydrophobicContact CD1-CG2 4.28Å; F61-I65 HydrophobicContact CD1-CD1 3.89Å; F61-I65 HydrophobicContact CE1-CD1 3.18Å; F61-I65 HydrophobicContact CE1-CG1 4.13Å; F61-I65 HydrophobicContact CZ-CD1 3.59Å; F61-I65 HydrophobicContact CZ-CG1 4.33Å; F61-I65 PolarHBondContact O-N 3.14Å; I62-I65 PolarHBondContact O-N 3.29Å; I65-L67 PolarHBondContact O-N 2.84Å; I65-L68 WeakPolarHBondContact O-CB 3.36Å; I65-L68 PolarHBondContact O-N 2.98Å; I65-L69 HydrophobicContact CG2-CD1 4.03Å; I65-L69 HydrophobicContact CG2-CG 4.47Å; I65-L69 WeakPolarHBondContact O-CG 3.4Å; I65-L69 PolarHBondContact O-N 3.04Å
66H81.6Confident78Confident109 Ų10981.1 Ų81.151%0.50541%0.414SS..Hα-helixtrans-63.8-42.2-178.9-149.392.7000111.7I62 L63 T64 L69 I70I62-H66 WeakPolarHBondContact O-CB 3.38Å; I62-H66 PolarHBondContact O-N 3.29Å; L63-H66 PolarHBondContact O-N 2.97Å; T64-H66 VanDerWaalsContact C-N 3.33Å; T64-H66 PolarHBondContact O-N 3.24Å; H66-L69 PolarHBondContact O-N 3.46Å; H66-I70 WeakPolarHBondContact O-CG1 3.48Å; H66-I70 PolarHBondContact O-N 3.17Å
67L79.9Confident78.2Confident89 Ų8982.3 Ų82.347%0.46641%0.414SS..Hα-helixtrans-63.3-40.5173.9-74.5167.6000111.9L63 T64 I65 I70 N71L63-L67 HydrophobicContact CD1-CD1 4.48Å; L63-L67 HydrophobicContact CG-CD1 4.11Å; L63-L67 WeakPolarHBondContact O-CB 3.18Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3Å; T64-L67 PolarHBondContact O-N 3.46Å; I65-L67 PolarHBondContact O-N 2.84Å; L67-I70 PolarHBondContact O-N 3.36Å; L67-N71 WeakPolarHBondContact O-CB 3.22Å; L67-N71 VanDerWaalsContact O-CG 3.3Å; L67-N71 PolarHBondContact O-N 3.35Å
68L82Confident78Confident89 Ų8981.6 Ų81.647%0.46641%0.414SS..Hα-helixtrans-62.1-44.1175.5-17269.9000111.2V25 T64 I65 N71 V72V25-L68 HydrophobicContact CG2-CD2 3.97Å; T64-L68 WeakPolarHBondContact O-CB 3.38Å; T64-L68 PolarHBondContact O-N 2.95Å; I65-L68 WeakPolarHBondContact O-CB 3.36Å; I65-L68 PolarHBondContact O-N 2.98Å; L68-N71 PolarHBondContact O-N 3.14Å; L68-V72 VanDerWaalsContact O-CG2 3.28Å; L68-V72 WeakPolarHBondContact O-CG2 3.46Å; L68-V72 PolarHBondContact O-N 3.02Å
69L80.5Confident78.1Confident39 Ų3981.9 Ų81.920%0.20442%0.419CS..Hα-helixtrans-61.1-45176.6-73.3168.6000112.1M22 V25 I65 H66 V72 R73M22-L69 HydrophobicContact CE-CD2 3.68Å; M22-L69 HydrophobicContact SD-CD2 3.42Å; M22-L69 WeakPolarHBondContact SD-CD2 3.31Å; V25-L69 HydrophobicContact CB-CD2 3.91Å; V25-L69 HydrophobicContact CG1-CD1 4.06Å; V25-L69 HydrophobicContact CG1-CD2 3.53Å; V25-L69 HydrophobicContact CG1-CG 3.64Å; I65-L69 HydrophobicContact CG2-CD1 4.03Å; I65-L69 HydrophobicContact CG2-CG 4.47Å; I65-L69 WeakPolarHBondContact O-CG 3.4Å; I65-L69 PolarHBondContact O-N 3.04Å; H66-L69 PolarHBondContact O-N 3.46Å; L69-V72 PolarHBondContact O-N 3.34Å; L69-R73 WeakPolarHBondContact O-CB 3.45Å; L69-R73 PolarHBondContact O-N 3.29Å
70I81.2Confident77.6Confident70 Ų7084.1 Ų84.136%0.35942%0.418SS..Hα-helixtrans-61.8-45.3176.5-69.5168.6000110.3H66 L67 R73 N74H66-I70 WeakPolarHBondContact O-CG1 3.48Å; H66-I70 PolarHBondContact O-N 3.17Å; L67-I70 PolarHBondContact O-N 3.36Å; I70-R73 PolarHBondContact O-N 3.25Å; I70-N74 WeakPolarHBondContact O-CB 3.24Å; I70-N74 PolarHBondContact O-N 2.83Å; I70-N74 PolarHBondContact O-OD1 2.7Å
71N79.4Confident77.2Confident91 Ų9183.4 Ų83.449%0.48741%0.414SS..Hα-helixtrans-63.7-43.7179.7-76.1-14.3000112.2L67 L68 R73 N74 M75L67-N71 WeakPolarHBondContact O-CB 3.22Å; L67-N71 VanDerWaalsContact O-CG 3.3Å; L67-N71 PolarHBondContact O-N 3.35Å; L68-N71 PolarHBondContact O-N 3.14Å; N71-R73 VanDerWaalsContact C-N 3.32Å; N71-R73 PolarHBondContact O-N 2.9Å; N71-N74 PolarHBondContact O-N 2.75Å; N71-M75 WeakPolarHBondContact O-CB 3.29Å; N71-M75 WeakPolarHBondContact O-CG 3.35Å; N71-M75 PolarHBondContact O-N 3.47Å
72V77.6Confident76.5Confident29 Ų2984.7 Ų84.718%0.17643%0.425CS..Hα-helixtrans-61.4-42.8175.5171.30000110.8V18 V21 L68 L69 F76V18-V72 HydrophobicContact CG1-CG1 4.21Å; V18-V72 HydrophobicContact CG2-CG1 4.44Å; V21-V72 HydrophobicContact CG1-CG1 4.09Å; V21-V72 HydrophobicContact CG1-CG2 3.94Å; L68-V72 VanDerWaalsContact O-CG2 3.28Å; L68-V72 WeakPolarHBondContact O-CG2 3.46Å; L68-V72 PolarHBondContact O-N 3.02Å; L69-V72 PolarHBondContact O-N 3.34Å; V72-F76 PolarHBondContact O-N 2.92Å; V72-F76 VanDerWaalsContact O-N 3.1Å
73R79.2Confident75.5Confident165 Ų16583.1 Ų83.162%0.62342%0.416SS*.Hα-helixtrans-63.6-44.5176.5-176.1-179.9176.6-171.1-0.8112.2L69 I70 N71 F76 Q77L69-R73 WeakPolarHBondContact O-CB 3.45Å; L69-R73 PolarHBondContact O-N 3.29Å; I70-R73 PolarHBondContact O-N 3.25Å; N71-R73 VanDerWaalsContact C-N 3.32Å; N71-R73 PolarHBondContact O-N 2.9Å; R73-F76 PolarHBondContact O-N 3.03Å; R73-Q77 PolarHBondContact O-N 3.47Å
74N78.4Confident74.6Confident71 Ų7182.5 Ų82.538%0.3842%0.417SS..Hα-helixtrans-64.6-45.7179.2-72.1-7.1000111.2I70 N71 F76 Q77 T78I70-N74 WeakPolarHBondContact O-CB 3.24Å; I70-N74 PolarHBondContact O-N 2.83Å; I70-N74 PolarHBondContact O-OD1 2.7Å; N71-N74 PolarHBondContact O-N 2.75Å; N74-F76 PolarHBondContact O-N 2.98Å; N74-Q77 PolarHBondContact O-N 3.43Å; N74-Q77 VanDerWaalsContact O-N 3.14Å; N74-T78 PolarHBondContact O-N 3.18Å; N74-T78 PolarHBondContact O-OG1 3.4Å; N74-T78 VanDerWaalsContact O-OG1 3.05Å
75M73.8Confident73.7Confident144 Ų14485.3 Ų85.371%0.70942%0.422SS*.Hα-helixtrans-55.7-41.1174.8-74.4-70.4-72.400111.6N71 S79N71-M75 WeakPolarHBondContact O-CB 3.29Å; N71-M75 WeakPolarHBondContact O-CG 3.35Å; N71-M75 PolarHBondContact O-N 3.47Å; M75-S79 WeakPolarHBondContact O-CB 3.3Å; M75-S79 PolarHBondContact O-N 2.94Å
76F69.8Low72.8Confident38 Ų3890.6 Ų90.617%0.16745%0.446CS..Hα-helixtrans-67.8-45.2176.2-166.7-107.8000112.2F11 N14 E15 V18 V72 R73 N74 T78 S79 R80F11-F76 HydrophobicContact CZ-CZ 4.21Å; N14-F76 HydrophobicContact CB-CE2 4.31Å; E15-F76 HydrophobicContact CB-CE2 4.34Å; E15-F76 HydrophobicContact CB-CZ 4.06Å; E15-F76 HydrophobicContact CG-CZ 4.2Å; V18-F76 HydrophobicContact CB-CD2 4.22Å; V18-F76 HydrophobicContact CB-CE2 4.48Å; V18-F76 HydrophobicContact CG2-CB 4.22Å; V18-F76 HydrophobicContact CG2-CD2 3.51Å; V18-F76 HydrophobicContact CG2-CE2 4.12Å; V18-F76 HydrophobicContact CG2-CG 4.08Å; V72-F76 PolarHBondContact O-N 2.92Å; V72-F76 VanDerWaalsContact O-N 3.1Å; R73-F76 PolarHBondContact O-N 3.03Å; N74-F76 PolarHBondContact O-N 2.98Å; F76-T78 PolarHBondContact O-N 2.95Å; F76-S79 WeakPolarHBondContact O-CB 3.37Å; F76-S79 PolarHBondContact O-N 3.28Å; F76-R80 HydrophobicContact CD1-CG 4.22Å; F76-R80 HydrophobicContact CE1-CG 4.06Å; F76-R80 HydrophobicContact CZ-CG 4.47Å; F76-R80 WeakPolarHBondContact O-CG 3.42Å; F76-R80 PolarHBondContact O-N 3.41Å
77Q74.3Confident71.8Confident92 Ų9290.8 Ų90.843%0.4345%0.448SS..Hα-helixtrans-60.3-44.2176.4-77.3-172.4-45.500112.1R73 N74 S79 R80 I81R73-Q77 PolarHBondContact O-N 3.47Å; N74-Q77 PolarHBondContact O-N 3.43Å; N74-Q77 VanDerWaalsContact O-N 3.14Å; Q77-S79 VanDerWaalsContact C-N 3.33Å; Q77-S79 PolarHBondContact O-N 3.36Å; Q77-R80 WeakPolarHBondContact O-CB 3.48Å; Q77-R80 PolarHBondContact O-N 3.38Å; Q77-I81 VanDerWaalsContact O-CG1 3.3Å; Q77-I81 WeakPolarHBondContact O-CG1 3.47Å; Q77-I81 PolarHBondContact O-N 3.41Å
78T71.9Confident71.1Confident87 Ų8793.6 Ų93.653%0.53446%0.463SS..Hα-helixtrans-62.5-41.6176.1-52.90000111.3N74 F76 R80 I81 L82N74-T78 PolarHBondContact O-N 3.18Å; N74-T78 PolarHBondContact O-OG1 3.4Å; N74-T78 VanDerWaalsContact O-OG1 3.05Å; F76-T78 PolarHBondContact O-N 2.95Å; T78-R80 VanDerWaalsContact C-N 3.33Å; T78-R80 PolarHBondContact O-N 3.14Å; T78-I81 PolarHBondContact O-N 2.82Å; T78-L82 WeakPolarHBondContact O-CB 3.48Å; T78-L82 PolarHBondContact O-N 3.06Å
79S69.9Low69.9Low37 Ų3799 Ų9926%0.25949%0.492SS..Hα-helixtrans-60.3-41.3174.2-172.80000112.2M75 F76 Q77 I83M75-S79 WeakPolarHBondContact O-CB 3.3Å; M75-S79 PolarHBondContact O-N 2.94Å; F76-S79 WeakPolarHBondContact O-CB 3.37Å; F76-S79 PolarHBondContact O-N 3.28Å; Q77-S79 VanDerWaalsContact C-N 3.33Å; Q77-S79 PolarHBondContact O-N 3.36Å; S79-I83 WeakPolarHBondContact O-CD1 3.4Å; S79-I83 WeakPolarHBondContact O-CG1 3.48Å; S79-I83 PolarHBondContact O-N 3.06Å
80R67.5Low69.4Low134 Ų134102.1 Ų102.151%0.50651%0.506SS..Hα-helixtrans-64.8-43.7174.9-67.1-168.563.8-169.6-1.2112.7F11 F76 Q77 T78 T84F11-R80 HydrophobicContact CE2-CG 3.82Å; F11-R80 HydrophobicContact CZ-CG 4.17Å; F76-R80 HydrophobicContact CD1-CG 4.22Å; F76-R80 HydrophobicContact CE1-CG 4.06Å; F76-R80 HydrophobicContact CZ-CG 4.47Å; F76-R80 WeakPolarHBondContact O-CG 3.42Å; F76-R80 PolarHBondContact O-N 3.41Å; Q77-R80 WeakPolarHBondContact O-CB 3.48Å; Q77-R80 PolarHBondContact O-N 3.38Å; T78-R80 VanDerWaalsContact C-N 3.33Å; T78-R80 PolarHBondContact O-N 3.14Å; R80-T84 PolarHBondContact O-N 3.07Å; R80-T84 PolarHBondContact O-OG1 3.36Å
81I71.1Confident68.8Low95 Ų95103.7 Ų103.749%0.48751%0.514SS..Hα-helixtrans-65.9-51.3-178.9-67.9164000110.1Q77 T78 I83 T84 F85Q77-I81 VanDerWaalsContact O-CG1 3.3Å; Q77-I81 WeakPolarHBondContact O-CG1 3.47Å; Q77-I81 PolarHBondContact O-N 3.41Å; T78-I81 PolarHBondContact O-N 2.82Å; I81-I83 PolarHBondContact O-N 3.27Å; I81-I83 VanDerWaalsContact O-N 3.14Å; I81-T84 PolarHBondContact O-N 3.19Å; I81-F85 HydrophobicContact CG2-CD2 3.73Å; I81-F85 HydrophobicContact CG2-CE2 3.74Å; I81-F85 WeakPolarHBondContact O-CD2 3.31Å; I81-F85 PolarHBondContact O-N 2.97Å
82L64.7Low68.2Low126 Ų126104.4 Ų104.466%0.6652%0.515SS*.Hα-helixtrans-54.4-37.8-179.1-16677000112T78 H86T78-L82 WeakPolarHBondContact O-CB 3.48Å; T78-L82 PolarHBondContact O-N 3.06Å; L82-H86 PolarHBondContact O-N 3.4Å
83I59.1Low67.6Low38 Ų38108.9 Ų108.920%0.19554%0.535CS..Hα-helixtrans-79.4-36.2178.6-69.7168.4000112.3L7 S79 I81 F85 H86 M87L7-I83 HydrophobicContact CD2-CG1 4.48Å; L7-I83 HydrophobicContact CD2-CG2 3.39Å; L7-I83 HydrophobicContact CG-CG2 4.46Å; S79-I83 WeakPolarHBondContact O-CD1 3.4Å; S79-I83 WeakPolarHBondContact O-CG1 3.48Å; S79-I83 PolarHBondContact O-N 3.06Å; I81-I83 PolarHBondContact O-N 3.27Å; I81-I83 VanDerWaalsContact O-N 3.14Å; I83-F85 PolarHBondContact O-N 3.19Å; I83-H86 CarbonylContact O-C 3.54Å; I83-H86 PolarHBondContact O-N 3.22Å; I83-M87 HydrophobicContact CG2-CG 4.16Å; I83-M87 WeakPolarHBondContact O-CB 3.39Å; I83-M87 VanDerWaalsContact O-CG 3.31Å; I83-M87 WeakPolarHBondContact O-CG 3.48Å; I83-M87 PolarHBondContact O-N 3.33Å
84T64.2Low66.9Low83 Ų83105.4 Ų105.451%0.50953%0.53SS..Hα-helixtrans-59.2-40.7173.3-53.90000109.9R80 I81 M87 L88R80-T84 PolarHBondContact O-N 3.07Å; R80-T84 PolarHBondContact O-OG1 3.36Å; I81-T84 PolarHBondContact O-N 3.19Å; T84-M87 PolarHBondContact O-N 3.38Å; T84-L88 HydrophobicContact CG2-CD1 4.42Å; T84-L88 WeakPolarHBondContact O-CB 3.47Å; T84-L88 PolarHBondContact O-N 3.38Å
85F62.4Low66.2Low149 Ų149107.7 Ų107.765%0.65454%0.54SS*.Hα-helixtrans-61.6-45.7170-87.8-82.4000112.5I81 I83 M87 L88 L89I81-F85 HydrophobicContact CG2-CD2 3.73Å; I81-F85 HydrophobicContact CG2-CE2 3.74Å; I81-F85 WeakPolarHBondContact O-CD2 3.31Å; I81-F85 PolarHBondContact O-N 2.97Å; I83-F85 PolarHBondContact O-N 3.19Å; F85-M87 VanDerWaalsContact C-N 3.28Å; F85-M87 PolarHBondContact O-N 3.37Å; F85-L88 PolarHBondContact O-N 3.03Å; F85-L89 PolarHBondContact O-N 3.33Å
86H61Low65.6Low127 Ų127105.1 Ų105.159%0.58853%0.528SS*.Hα-helixtrans-67-25178.5-165.963000114.2L82 I83L82-H86 PolarHBondContact O-N 3.4Å; I83-H86 CarbonylContact O-C 3.54Å; I83-H86 PolarHBondContact O-N 3.22Å
87M60.7Low65.3Low114 Ų114110.2 Ų110.256%0.56256%0.555SS**Hα-helixtrans-81.6-21.3174.7-72.1-80.6-62.500112.9L4 L7 I83 T84 F85L4-M87 HydrophobicContact CD2-CE 4.03Å; L4-M87 HydrophobicContact CD2-SD 3.37Å; L4-M87 WeakPolarHBondContact CD2-SD 3.37Å; L7-M87 HydrophobicContact CD2-CG 4.47Å; L7-M87 HydrophobicContact CD2-SD 4.28Å; I83-M87 HydrophobicContact CG2-CG 4.16Å; I83-M87 WeakPolarHBondContact O-CB 3.39Å; I83-M87 VanDerWaalsContact O-CG 3.31Å; I83-M87 WeakPolarHBondContact O-CG 3.48Å; I83-M87 PolarHBondContact O-N 3.33Å; T84-M87 PolarHBondContact O-N 3.38Å; F85-M87 VanDerWaalsContact C-N 3.28Å; F85-M87 PolarHBondContact O-N 3.37Å
88L64.4Low64.5Low148 Ų148111.8 Ų111.878%0.77557%0.566SS**Hα-helixtrans-88.2-18-179.9-121.2134.2000112.9T84 F85T84-L88 HydrophobicContact CG2-CD1 4.42Å; T84-L88 WeakPolarHBondContact O-CB 3.47Å; T84-L88 PolarHBondContact O-N 3.38Å; F85-L88 PolarHBondContact O-N 3.03Å
89L57.8Low63.9Low203 Ų203114 Ų114100%1.06357%0.569SS**  trans-990-179.6-157.5128.5000110.8F85F85-L89 PolarHBondContact O-N 3.33Å

Retrieved 89 of 89 residues in 362.1 ms (Link to these results)