A0A061HWX0_CRIGR Loading...

Profilin

Involved in male fertility. Required for manchette development and acrosome biogenesis during spermiogenesis. Binds in vitro to phospholipids, including phosphatidylinositol 3-phosphate (PtdIns(3)P), phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2), phosphatidylinositol 4-phosphate (PtdIns(4)P) and phosphatidic acid (PA). Contrary to other profilin family members, does not bind to actin in vitro.

AlphaFold DB , UniProt , Accession A0A061HWX0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pfn4, Length 129 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
1M57.3Low87Confident164 Ų16467.8 Ų67.881%0.80836%0.356SS*.  0124.90-69.5-78.5-108.100107.6Q5 L9M1-Q5 VanDerWaalsContact SD-CD 3.52Å; M1-Q5 HydrophobicContact SD-CG 4.4Å; M1-Q5 PolarHBondContact SD-NE2 3.3Å; M1-Q5 VanDerWaalsContact SD-NE2 3.44Å; M1-Q5 PolarHBondContact SD-OE1 3.31Å; M1-L9 HydrophobicContact CE-CD1 4.41Å
2S82.4Confident87.7Confident57 Ų5762.2 Ų62.240%0.39933%0.326SS..  trans-75.2150.3178.967.80000110.3L4 Q5 N6S2-L4 PolarHBondContact O-N 3.36Å; S2-Q5 WeakPolarHBondContact O-CB 3.24Å; S2-Q5 PolarHBondContact O-N 2.96Å; S2-Q5 WeakPolarHBondContact OG-CB 3.42Å; S2-Q5 PolarHBondContact OG-N 3.05Å; S2-N6 PolarHBondContact O-N 2.99Å
3H86.9Confident88.3Confident142 Ų14261.2 Ų61.266%0.65732%0.321SS*.Hα-helixtrans-55.4-38.8177.2177.667.6000112.3Q5 N6 L7H3-Q5 VanDerWaalsContact C-N 3.31Å; H3-Q5 PolarHBondContact O-N 2.64Å; H3-N6 PolarHBondContact O-N 3.37Å; H3-L7 WeakPolarHBondContact O-CB 3.46Å; H3-L7 PolarHBondContact O-N 2.9Å
4L86.9Confident88.7Confident36 Ų3660.7 Ų60.719%0.18834%0.338CS..Hα-helixtrans-62.6-36.1175.4-72.6172.2000112.9S2 L8 L23 V33S2-L4 PolarHBondContact O-N 3.36Å; L4-L8 WeakPolarHBondContact O-CB 3.36Å; L4-L8 PolarHBondContact O-N 3.06Å; L4-L23 HydrophobicContact CB-CD1 4.43Å; L4-L23 HydrophobicContact CD2-CD1 4.41Å; L4-V33 HydrophobicContact CB-CG2 4.16Å
5Q89Confident89.2Confident49 Ų4959.3 Ų59.323%0.22933%0.331CS..Hα-helixtrans-66.3-47176.5-176176.13.700111.7M1 S2 H3 L7 L8 L9 V33M1-Q5 VanDerWaalsContact SD-CD 3.52Å; M1-Q5 HydrophobicContact SD-CG 4.4Å; M1-Q5 PolarHBondContact SD-NE2 3.3Å; M1-Q5 VanDerWaalsContact SD-NE2 3.44Å; M1-Q5 PolarHBondContact SD-OE1 3.31Å; S2-Q5 WeakPolarHBondContact O-CB 3.24Å; S2-Q5 PolarHBondContact O-N 2.96Å; S2-Q5 WeakPolarHBondContact OG-CB 3.42Å; S2-Q5 PolarHBondContact OG-N 3.05Å; H3-Q5 VanDerWaalsContact C-N 3.31Å; H3-Q5 PolarHBondContact O-N 2.64Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-L7 PolarHBondContact O-N 3.35Å; Q5-L8 PolarHBondContact O-N 3.07Å; Q5-L9 HydrophobicContact CG-CD1 3.98Å; Q5-L9 HydrophobicContact CG-CG 4.48Å; Q5-L9 VanDerWaalsContact O-CG 3.24Å; Q5-L9 WeakPolarHBondContact O-CG 3.43Å; Q5-L9 PolarHBondContact O-N 3.48Å; Q5-V33 HydrophobicContact CB-CG1 3.84Å; Q5-V33 HydrophobicContact CB-CG2 4.49Å; Q5-V33 HydrophobicContact CG-CG1 3.97Å
6N91.3Very high89.6Confident64 Ų6466.1 Ų66.134%0.34236%0.356SS..Hα-helixtrans-63-44.5176.8-66.3-10.2000110.9S2 H3 L8 L9 D10S2-N6 PolarHBondContact O-N 2.99Å; H3-N6 PolarHBondContact O-N 3.37Å; N6-L8 VanDerWaalsContact C-N 3.32Å; N6-L8 PolarHBondContact O-N 3.46Å; N6-L9 PolarHBondContact O-N 3.23Å; N6-D10 WeakPolarHBondContact O-CB 3.4Å; N6-D10 PolarHBondContact O-N 2.91Å
7L91.7Very high90.1Very high32 Ų3264.8 Ų64.817%0.16835%0.347CS..Hα-helixtrans-54.9-47.8176.4-175.764.6000111.7H3 Q5 T11 L120 Y123 L124H3-L7 WeakPolarHBondContact O-CB 3.46Å; H3-L7 PolarHBondContact O-N 2.9Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-L7 PolarHBondContact O-N 3.35Å; L7-T11 HydrophobicContact CD1-CG2 3.89Å; L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 VanDerWaalsContact O-CG2 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.33Å; L7-T11 PolarHBondContact O-N 3.49Å; L7-T11 VanDerWaalsContact O-N 3.13Å; L7-T11 PolarHBondContact O-OG1 2.98Å; L7-L120 HydrophobicContact CD1-CD1 4.27Å; L7-L120 HydrophobicContact CD2-CD1 3.95Å; L7-L120 HydrophobicContact CG-CD1 3.87Å; L7-Y123 HydrophobicContact CD1-CE1 4.44Å; L7-Y123 HydrophobicContact CD2-CD1 4.33Å; L7-Y123 HydrophobicContact CD2-CE1 3.9Å; L7-L124 HydrophobicContact CD2-CD2 4.26Å
8L92.9Very high90.5Very high0 Ų061.6 Ų61.60%033%0.33CS..Hα-helixtrans-61.2-48.7178.6-173.374.4000111.8L4 Q5 N6 L12 A21 L23 V33 L100 L120L4-L8 WeakPolarHBondContact O-CB 3.36Å; L4-L8 PolarHBondContact O-N 3.06Å; Q5-L8 PolarHBondContact O-N 3.07Å; N6-L8 VanDerWaalsContact C-N 3.32Å; N6-L8 PolarHBondContact O-N 3.46Å; L8-L12 HydrophobicContact CD1-CD1 3.69Å; L8-L12 HydrophobicContact CD1-CG 4.47Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 PolarHBondContact O-N 2.52Å; L8-L12 VanDerWaalsContact O-N 3.09Å; L8-A21 HydrophobicContact CD1-CB 3.97Å; L8-A21 HydrophobicContact CD2-CB 4.15Å; L8-A21 HydrophobicContact CG-CB 4.03Å; L8-L23 HydrophobicContact CD1-CD1 4.36Å; L8-L23 HydrophobicContact CD1-CG 4.15Å; L8-V33 HydrophobicContact CD2-CB 4.41Å; L8-V33 HydrophobicContact CD2-CG1 3.68Å; L8-L100 HydrophobicContact CD1-CD1 3.4Å; L8-L100 VanDerWaalsContact CD1-CD1 3.4Å; L8-L120 HydrophobicContact CD1-CD2 4.23Å
9L91.6Very high90.9Very high28 Ų2862.3 Ų62.315%0.14733%0.334CS..Hα-helixtrans-66.8-49-176.6-65.5175.8000111.6M1 Q5 N6 T11 L13 G14M1-L9 HydrophobicContact CE-CD1 4.41Å; Q5-L9 HydrophobicContact CG-CD1 3.98Å; Q5-L9 HydrophobicContact CG-CG 4.48Å; Q5-L9 VanDerWaalsContact O-CG 3.24Å; Q5-L9 WeakPolarHBondContact O-CG 3.43Å; Q5-L9 PolarHBondContact O-N 3.48Å; N6-L9 PolarHBondContact O-N 3.23Å; L9-T11 PolarHBondContact O-N 2.6Å; L9-L13 HydrophobicContact CD2-CD1 4.18Å; L9-L13 HydrophobicContact CD2-CD2 3.93Å; L9-L13 WeakPolarHBondContact O-CA 3.4Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 PolarHBondContact O-N 3.05Å; L9-G14 PolarHBondContact O-N 2.82Å
10D92.8Very high91.2Very high120 Ų12059.3 Ų59.364%0.64232%0.318SS*.Hα-helixtrans-68.5-39.3-174.5-64.2-21.7000111.6N6 G14N6-D10 WeakPolarHBondContact O-CB 3.4Å; N6-D10 PolarHBondContact O-N 2.91Å; D10-G14 WeakPolarHBondContact O-CA 3.22Å
11T93.9Very high91.5Very high54 Ų5456.4 Ų56.433%0.33130%0.303SS..Hα-helixtrans-83.5-32.5-176.360.90000113.8L7 L9 T15 L120L7-T11 HydrophobicContact CD1-CG2 3.89Å; L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 VanDerWaalsContact O-CG2 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.33Å; L7-T11 PolarHBondContact O-N 3.49Å; L7-T11 VanDerWaalsContact O-N 3.13Å; L7-T11 PolarHBondContact O-OG1 2.98Å; L9-T11 PolarHBondContact O-N 2.6Å; T11-T15 WeakPolarHBondContact O-CG2 3.37Å; T11-L120 WeakPolarHBondContact OG1-CD2 3.41Å
12L96.2Very high93.4Very high0 Ų048.6 Ų48.60%026%0.264CS..THydrogen-bonded Turntrans-99.5-60.2-178.7-60.8-171.2000112L8 G14 T15 V18 A21 L100 A102 A116 L120L8-L12 HydrophobicContact CD1-CD1 3.69Å; L8-L12 HydrophobicContact CD1-CG 4.47Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 PolarHBondContact O-N 2.52Å; L8-L12 VanDerWaalsContact O-N 3.09Å; L12-G14 VanDerWaalsContact C-N 3.25Å; L12-G14 PolarHBondContact O-N 3.44Å; L12-T15 WeakPolarHBondContact O-CB 3.3Å; L12-T15 WeakPolarHBondContact O-CG2 3.35Å; L12-T15 PolarHBondContact O-N 3.44Å; L12-T15 VanDerWaalsContact O-N 3.12Å; L12-T15 PolarHBondContact O-OG1 3.47Å; L12-V18 HydrophobicContact CB-CB 4.31Å; L12-V18 HydrophobicContact CB-CG1 4.19Å; L12-V18 HydrophobicContact CB-CG2 4.12Å; L12-A21 HydrophobicContact CB-CB 4.44Å; L12-A21 HydrophobicContact CD1-CB 3.64Å; L12-L100 HydrophobicContact CD1-CD1 3.96Å; L12-L100 HydrophobicContact CD1-CD2 4.48Å; L12-L100 HydrophobicContact CD1-CG 4.44Å; L12-A102 HydrophobicContact CD1-CB 4.23Å; L12-A116 HydrophobicContact CD2-CB 3.89Å; L12-L120 HydrophobicContact CD1-CD2 4.11Å; L12-L120 HydrophobicContact CD2-CB 4.45Å; L12-L120 HydrophobicContact CD2-CD2 4.21Å; L12-L120 HydrophobicContact CG-CD2 3.97Å
13L94.8Very high94Very high50 Ų5046 Ų4626%0.26225%0.246SC..G310 helixtrans-69-28.5-177.5-79.674.2000111.4L9 T15 K16 V18 A21L9-L13 HydrophobicContact CD2-CD1 4.18Å; L9-L13 HydrophobicContact CD2-CD2 3.93Å; L9-L13 WeakPolarHBondContact O-CA 3.4Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 PolarHBondContact O-N 3.05Å; L13-T15 PolarHBondContact O-N 2.96Å; L13-T15 VanDerWaalsContact O-N 3.12Å; L13-K16 PolarHBondContact O-N 2.71Å; L13-V18 HydrophobicContact CD1-CG1 4.38Å; L13-A21 HydrophobicContact CD1-CB 4.04Å
14G93.9Very high94.5Very high54 Ų5439.2 Ų39.256%0.55722%0.215SC*.G310 helixtrans-57.1-22.8172.100000114.4L9 D10 L12 K16L9-G14 PolarHBondContact O-N 2.82Å; D10-G14 WeakPolarHBondContact O-CA 3.22Å; L12-G14 VanDerWaalsContact C-N 3.25Å; L12-G14 PolarHBondContact O-N 3.44Å; G14-K16 VanDerWaalsContact C-N 3.26Å; G14-K16 PolarHBondContact O-N 3.24Å
15T95.9Very high94.8Very high39 Ų3940.3 Ų40.324%0.23922%0.218CC..G310 helixtrans-72.2-18.617669.70000113.6T11 L12 L13 H17 A116T11-T15 WeakPolarHBondContact O-CG2 3.37Å; L12-T15 WeakPolarHBondContact O-CB 3.3Å; L12-T15 WeakPolarHBondContact O-CG2 3.35Å; L12-T15 PolarHBondContact O-N 3.44Å; L12-T15 VanDerWaalsContact O-N 3.12Å; L12-T15 PolarHBondContact O-OG1 3.47Å; L13-T15 PolarHBondContact O-N 2.96Å; L13-T15 VanDerWaalsContact O-N 3.12Å; T15-H17 PolarHBondContact O-CD2 2.59Å; T15-H17 PolarHBondContact O-N 3.26Å; T15-H17 VanDerWaalsContact O-N 3.11Å; T15-H17 PolarHBondContact OG1-N 2.76Å; T15-H17 VanDerWaalsContact OG1-N 3.13Å; T15-A116 HydrophobicContact CG2-CB 3.81Å
16K96Very high94.9Very high168 Ų16839.2 Ų39.273%0.7321%0.213SC*.SBendtrans59.511.7-170.5-51.8179.3-1801780114.7L13 G14L13-K16 PolarHBondContact O-N 2.71Å; G14-K16 VanDerWaalsContact C-N 3.26Å; G14-K16 PolarHBondContact O-N 3.24Å
17H97.6Very high94.9Very high44 Ų4443.7 Ų43.720%0.20423%0.232CC..  trans-119.814.7176.8-65.5-60.9000112.7T15 M108 Y109 V112 C113T15-H17 PolarHBondContact O-CD2 2.59Å; T15-H17 PolarHBondContact O-N 3.26Å; T15-H17 VanDerWaalsContact O-N 3.11Å; T15-H17 PolarHBondContact OG1-N 2.76Å; T15-H17 VanDerWaalsContact OG1-N 3.13Å; H17-M108 HydrophobicContact CB-CB 4.41Å; H17-Y109 AromaticContact CE1-CD2 3.21Å; H17-Y109 WeakPolarHBondContact CE1-CD2 3.49Å; H17-Y109 AromaticContact CE1-CE2 3.67Å; H17-Y109 AromaticContact ND1-CD2 3.69Å; H17-Y109 PolarHBondContact ND1-N 2.78Å; H17-Y109 AromaticContact NE2-CD2 3.57Å; H17-V112 HydrophobicContact CB-CB 3.86Å; H17-V112 HydrophobicContact CB-CG1 3.82Å; H17-C113 WeakPolarHBondContact O-CB 3.41Å
18V97.8Very high94.9Very high7 Ų748 Ų484%0.04225%0.251CS..  trans-122123.3169.6178.70000107.7L12 L13 G20 A21 A102 T103 C113L12-V18 HydrophobicContact CB-CB 4.31Å; L12-V18 HydrophobicContact CB-CG1 4.19Å; L12-V18 HydrophobicContact CB-CG2 4.12Å; L13-V18 HydrophobicContact CD1-CG1 4.38Å; V18-G20 WeakPolarHBondContact CG1-O 3.44Å; V18-A21 HydrophobicContact CG1-CB 4.21Å; V18-A102 HydrophobicContact CG1-CB 4.06Å; V18-T103 CarbonylContact C-O 3.53Å; V18-T103 WeakPolarHBondContact CA-O 3.21Å; V18-C113 HydrophobicContact CG2-CB 4.38Å
19D97.4Very high94.9Very high76 Ų7655.2 Ų55.241%0.40628%0.279SS..SBendtrans-79.9-44.4179.3175.671.8000111.4T103 T105 M108D19-T103 PolarHBondContact N-O 2.83Å; D19-T105 HydrophobicContact CB-CG2 3.82Å; D19-M108 HydrophobicContact CB-CE 3.98Å; D19-M108 HydrophobicContact CB-SD 4.06Å
20G97.3Very high95Very high1 Ų155.7 Ų55.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-152.4152.2178.200000111.3V18 S35 A102 T103V18-G20 WeakPolarHBondContact CG1-O 3.44Å; G20-S35 WeakPolarHBondContact CA-OG 3.48Å; G20-A102 CarbonylContact O-C 3.59Å; G20-A102 WeakPolarHBondContact O-CA 3.42Å; G20-T103 PolarHBondContact N-OG1 3.46Å; G20-T103 PolarHBondContact O-N 2.83Å; G20-T103 PolarHBondContact O-OG1 2.82Å
21A97.8Very high95.1Very high0 Ų053.4 Ų53.40%027%0.272CS..EExtended strand (participates in β ladder)trans-144.9152.718000000112.5L8 L12 L13 V18 A34 S35 F38 V101L8-A21 HydrophobicContact CD1-CB 3.97Å; L8-A21 HydrophobicContact CD2-CB 4.15Å; L8-A21 HydrophobicContact CG-CB 4.03Å; L12-A21 HydrophobicContact CB-CB 4.44Å; L12-A21 HydrophobicContact CD1-CB 3.64Å; L13-A21 HydrophobicContact CD1-CB 4.04Å; V18-A21 HydrophobicContact CG1-CB 4.21Å; A21-A34 CarbonylContact O-C 3.56Å; A21-A34 WeakPolarHBondContact O-CA 3.3Å; A21-S35 PolarHBondContact N-OG 3.39Å; A21-S35 PolarHBondContact O-N 3.25Å; A21-S35 PolarHBondContact O-OG 2.59Å; A21-F38 VanDerWaalsContact C-CD1 3.48Å; A21-F38 VanDerWaalsContact O-CD1 3.25Å; A21-F38 WeakPolarHBondContact O-CD1 3.36Å; A21-V101 CarbonylContact C-O 3.55Å; A21-V101 WeakPolarHBondContact CA-O 3.23Å; A21-V101 WeakPolarHBondContact CB-O 3.36Å
22A97.4Very high95.1Very high0 Ų053.2 Ų53.20%027%0.272CS..EExtended strand (participates in β ladder)trans-146154.6174.700000112.5L31 V33 A34 F38 V40 V101A22-L31 HydrophobicContact CB-CD1 3.72Å; A22-V33 CarbonylContact C-O 3.59Å; A22-V33 WeakPolarHBondContact CA-O 3.4Å; A22-V33 WeakPolarHBondContact CB-O 3.45Å; A22-A34 HydrophobicContact CB-CB 4.29Å; A22-F38 HydrophobicContact CB-CD1 3.87Å; A22-F38 HydrophobicContact CB-CE1 3.62Å; A22-V40 HydrophobicContact CB-CG2 3.95Å; A22-V101 HydrophobicContact CB-CB 4.42Å; A22-V101 PolarHBondContact N-O 3.49Å; A22-V101 PolarHBondContact O-N 3Å
23L95.9Very high94.9Very high2 Ų253.8 Ų53.81%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-112.5126164.6-77.8164.3000108.9L4 L8 C32 V33 Y98 L99 L100 L124L4-L23 HydrophobicContact CB-CD1 4.43Å; L4-L23 HydrophobicContact CD2-CD1 4.41Å; L8-L23 HydrophobicContact CD1-CD1 4.36Å; L8-L23 HydrophobicContact CD1-CG 4.15Å; L23-C32 HydrophobicContact CB-CB 4.47Å; L23-C32 WeakPolarHBondContact O-CA 3.36Å; L23-C32 WeakPolarHBondContact O-CB 3.36Å; L23-C32 PolarHBondContact O-N 2.94Å; L23-V33 HydrophobicContact CB-CB 4.34Å; L23-V33 PolarHBondContact N-O 3.1Å; L23-V33 PolarHBondContact O-N 2.74Å; L23-Y98 HydrophobicContact CB-CD1 4.47Å; L23-Y98 HydrophobicContact CD2-CG 4.18Å; L23-L99 WeakPolarHBondContact CA-O 3.36Å; L23-L100 HydrophobicContact CD2-CB 4.13Å; L23-L100 HydrophobicContact CD2-CD1 3.68Å; L23-L100 HydrophobicContact CG-CD1 4.05Å; L23-L124 HydrophobicContact CD2-CD1 4.03Å
24I96.1Very high95Very high0 Ų052.8 Ų52.80%027%0.274CS..EExtended strand (participates in β ladder)trans-113.1133.2176.4-64.9167.6000107.6S30 L31 V40 V45 L48 V49 Y98 L99 V101I24-S30 CarbonylContact C-O 3.56Å; I24-S30 WeakPolarHBondContact CA-O 3.25Å; I24-L31 HydrophobicContact CG1-CD1 4.18Å; I24-V40 HydrophobicContact CD1-CG1 4.49Å; I24-V45 HydrophobicContact CD1-CB 4.44Å; I24-V45 HydrophobicContact CD1-CG1 4.34Å; I24-V45 HydrophobicContact CD1-CG2 4.05Å; I24-V45 HydrophobicContact CG1-CG2 4.32Å; I24-V45 HydrophobicContact CG2-CG1 3.6Å; I24-L48 HydrophobicContact CD1-CB 4.42Å; I24-L48 HydrophobicContact CD1-CD1 3.51Å; I24-V49 HydrophobicContact CG2-CG2 4.26Å; I24-Y98 CarbonylContact O-C 3.24Å; I24-Y98 WeakPolarHBondContact O-CA 3.37Å; I24-L99 HydrophobicContact CB-CB 4.23Å; I24-L99 PolarHBondContact N-O 3.21Å; I24-L99 PolarHBondContact O-N 2.84Å; I24-V101 HydrophobicContact CD1-CG2 3.9Å
25K94.3Very high95.1Very high58 Ų5850.4 Ų50.425%0.25225%0.249SC..EExtended strand (participates in β ladder)trans-76.8126171.9-76.6177.9176.7-177.30110.5E28 R29 S30 C32 L97 Y98K25-E28 HydrophobicContact CB-CB 4.12Å; K25-E28 HydrophobicContact CD-CB 4.41Å; K25-E28 HydrophobicContact CD-CG 4.25Å; K25-E28 VanDerWaalsContact CD-OE1 3.32Å; K25-E28 WeakPolarHBondContact CD-OE1 3.36Å; K25-E28 WeakPolarHBondContact CD-OE2 3.46Å; K25-E28 VanDerWaalsContact NZ-CD 3.3Å; K25-E28 IonicContact NZ-OE1 2.6Å; K25-E28 PolarHBondContact NZ-OE1 2.77Å; K25-E28 IonicContact NZ-OE2 2.64Å; K25-E28 PolarHBondContact NZ-OE2 2.92Å; K25-E28 VanDerWaalsContact NZ-OE2 3.11Å; K25-R29 WeakPolarHBondContact O-CA 3.33Å; K25-R29 PolarHBondContact O-N 2.94Å; K25-S30 PolarHBondContact N-O 3Å; K25-C32 HydrophobicContact CG-CB 4.22Å; K25-L97 WeakPolarHBondContact CA-O 3.13Å; K25-Y98 HydrophobicContact CG-CD1 3.93Å; K25-Y98 HydrophobicContact CG-CE1 3.61Å
26L91.2Very high95Very high26 Ų2653.4 Ų53.414%0.13627%0.269CS..THydrogen-bonded Turntrans-62.9-49.1-177.1-83.7166.4000112.8K94 T95 L97 L99L26-K94 HydrophobicContact CD1-CG 3.98Å; L26-T95 WeakPolarHBondContact CD1-O 3.45Å; L26-L97 PolarHBondContact N-O 2.94Å; L26-L99 HydrophobicContact CD2-CD1 4.04Å; L26-L99 HydrophobicContact CD2-CD2 3.66Å; L26-L99 HydrophobicContact CD2-CG 3.54Å; L26-L99 HydrophobicContact CG-CD2 4.3Å; L26-L99 HydrophobicContact CG-CG 4.07Å
27H89.9Confident94.7Very high158 Ų15849.2 Ų49.273%0.73127%0.274SS*.THydrogen-bonded Turntrans-71.5-43.1-175.3-66.8-72000112.7R29H27-R29 VanDerWaalsContact C-N 3.33Å
28E92.3Very high94.6Very high123 Ų12347.6 Ų47.658%0.57527%0.266SS*.THydrogen-bonded Turntrans-80-16.1-179.1-66.9173-148.100112.7K25 S30K25-E28 HydrophobicContact CB-CB 4.12Å; K25-E28 HydrophobicContact CD-CB 4.41Å; K25-E28 HydrophobicContact CD-CG 4.25Å; K25-E28 VanDerWaalsContact CD-OE1 3.32Å; K25-E28 WeakPolarHBondContact CD-OE1 3.36Å; K25-E28 WeakPolarHBondContact CD-OE2 3.46Å; K25-E28 VanDerWaalsContact NZ-CD 3.3Å; K25-E28 IonicContact NZ-OE1 2.6Å; K25-E28 PolarHBondContact NZ-OE1 2.77Å; K25-E28 IonicContact NZ-OE2 2.64Å; K25-E28 PolarHBondContact NZ-OE2 2.92Å; K25-E28 VanDerWaalsContact NZ-OE2 3.11Å; E28-S30 VanDerWaalsContact CB-OG 3.25Å; E28-S30 WeakPolarHBondContact CB-OG 3.36Å; E28-S30 PolarHBondContact O-N 2.79Å; E28-S30 PolarHBondContact OE2-OG 3.18Å
29R93.1Very high94.2Very high152 Ų15250.4 Ų50.457%0.57429%0.286SS*.THydrogen-bonded Turntrans51.142-173.5-53.2-178.5179.9178.2-1111.7K25 H27 V45 V49K25-R29 WeakPolarHBondContact O-CA 3.33Å; K25-R29 PolarHBondContact O-N 2.94Å; H27-R29 VanDerWaalsContact C-N 3.33Å; R29-V45 VanDerWaalsContact O-CG1 3.23Å; R29-V45 WeakPolarHBondContact O-CG1 3.19Å; R29-V49 HydrophobicContact CG-CG1 4.36Å
30S94.4Very high94.1Very high38 Ų3847.2 Ų47.227%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-125.2146-173.263.80000110.8I24 K25 E28 C32I24-S30 CarbonylContact C-O 3.56Å; I24-S30 WeakPolarHBondContact CA-O 3.25Å; K25-S30 PolarHBondContact N-O 3Å; E28-S30 VanDerWaalsContact CB-OG 3.25Å; E28-S30 WeakPolarHBondContact CB-OG 3.36Å; E28-S30 PolarHBondContact O-N 2.79Å; E28-S30 PolarHBondContact OE2-OG 3.18Å; S30-C32 PolarHBondContact O-N 2.84Å
31L94.4Very high94Very high72 Ų7251.7 Ų51.738%0.37729%0.291SS..EExtended strand (participates in β ladder)trans-70.7125171.8-177.767.2000109A22 I24 A34 V40A22-L31 HydrophobicContact CB-CD1 3.72Å; I24-L31 HydrophobicContact CG1-CD1 4.18Å; L31-A34 HydrophobicContact CD1-CB 4.34Å; L31-A34 HydrophobicContact CD2-CB 4.2Å; L31-V40 HydrophobicContact CD1-CB 4.2Å; L31-V40 HydrophobicContact CD1-CG2 4.32Å; L31-V40 HydrophobicContact CD2-CB 4.39Å
32C92.9Very high93.8Very high50 Ų5055.9 Ų55.934%0.33832%0.319SS..EExtended strand (participates in β ladder)trans-96.6-46.3178.7-171.50000111.9L23 K25 S30 Y98L23-C32 HydrophobicContact CB-CB 4.47Å; L23-C32 WeakPolarHBondContact O-CA 3.36Å; L23-C32 WeakPolarHBondContact O-CB 3.36Å; L23-C32 PolarHBondContact O-N 2.94Å; K25-C32 HydrophobicContact CG-CB 4.22Å; S30-C32 PolarHBondContact O-N 2.84Å; C32-Y98 HydrophobicContact CB-CE1 4.48Å
33V93.6Very high93.6Very high12 Ų1259.7 Ų59.77%0.07334%0.339CS..EExtended strand (participates in β ladder)trans-146141.9-177.3176.80000107.8L4 Q5 L8 A22 L23L4-V33 HydrophobicContact CB-CG2 4.16Å; Q5-V33 HydrophobicContact CB-CG1 3.84Å; Q5-V33 HydrophobicContact CB-CG2 4.49Å; Q5-V33 HydrophobicContact CG-CG1 3.97Å; L8-V33 HydrophobicContact CD2-CB 4.41Å; L8-V33 HydrophobicContact CD2-CG1 3.68Å; A22-V33 CarbonylContact C-O 3.59Å; A22-V33 WeakPolarHBondContact CA-O 3.4Å; A22-V33 WeakPolarHBondContact CB-O 3.45Å; L23-V33 HydrophobicContact CB-CB 4.34Å; L23-V33 PolarHBondContact N-O 3.1Å; L23-V33 PolarHBondContact O-N 2.74Å
34A95.8Very high93.6Very high28 Ų2860.2 Ų60.223%0.23134%0.342CS..EExtended strand (participates in β ladder)trans-136152.1165.800000110.5A21 A22 L31 F38A21-A34 CarbonylContact O-C 3.56Å; A21-A34 WeakPolarHBondContact O-CA 3.3Å; A22-A34 HydrophobicContact CB-CB 4.29Å; L31-A34 HydrophobicContact CD1-CB 4.34Å; L31-A34 HydrophobicContact CD2-CB 4.2Å; A34-F38 HydrophobicContact CB-CD1 4.36Å; A34-F38 WeakPolarHBondContact CB-O 3.43Å
35S95.9Very high93.6Very high4 Ų460.4 Ų60.43%0.02834%0.343CS..  trans-68.8155.7172.164.10000111.3G20 A21 G37 F38G20-S35 WeakPolarHBondContact CA-OG 3.48Å; A21-S35 PolarHBondContact N-OG 3.39Å; A21-S35 PolarHBondContact O-N 3.25Å; A21-S35 PolarHBondContact O-OG 2.59Å; S35-G37 PolarHBondContact O-N 2.7Å; S35-F38 WeakPolarHBondContact O-CB 3.24Å; S35-F38 PolarHBondContact O-N 3.12Å; S35-F38 VanDerWaalsContact OG-CB 3.23Å; S35-F38 WeakPolarHBondContact OG-CB 3.36Å
36P93.4Very high93.5Very high102 Ų10263.2 Ų63.266%0.66235%0.352SS*.THydrogen-bonded Turntrans-51.1133.7175.8-27.634.9000112.1F38P36-F38 PolarHBondContact O-N 2.89Å
37G90.8Very high93.5Very high81 Ų8163.7 Ų63.784%0.83536%0.356SS*.THydrogen-bonded Turntrans74.3-6.4-178.600000115.5S35 S39S35-G37 PolarHBondContact O-N 2.7Å; G37-S39 PolarHBondContact O-N 2.94Å
38F94.4Very high93.7Very high9 Ų956.3 Ų56.34%0.03932%0.322CS..  trans-94.394.4177.7-168.1-110.9000110.8A21 A22 A34 S35 P36 V40 F66 V101 T103A21-F38 VanDerWaalsContact C-CD1 3.48Å; A21-F38 VanDerWaalsContact O-CD1 3.25Å; A21-F38 WeakPolarHBondContact O-CD1 3.36Å; A22-F38 HydrophobicContact CB-CD1 3.87Å; A22-F38 HydrophobicContact CB-CE1 3.62Å; A34-F38 HydrophobicContact CB-CD1 4.36Å; A34-F38 WeakPolarHBondContact CB-O 3.43Å; S35-F38 WeakPolarHBondContact O-CB 3.24Å; S35-F38 PolarHBondContact O-N 3.12Å; S35-F38 VanDerWaalsContact OG-CB 3.23Å; S35-F38 WeakPolarHBondContact OG-CB 3.36Å; P36-F38 PolarHBondContact O-N 2.89Å; F38-V40 HydrophobicContact CD1-CG2 3.73Å; F38-V40 HydrophobicContact CE1-CG2 3.37Å; F38-V40 HydrophobicContact CZ-CG2 4.1Å; F38-F66 HydrophobicContact CE2-CE1 4.47Å; F38-F66 HydrophobicContact CZ-CE1 4.07Å; F38-F66 AromaticContact CZ-CZ 3.79Å; F38-F66 HydrophobicContact CZ-CZ 3.79Å; F38-V101 HydrophobicContact CZ-CG1 4.3Å; F38-T103 HydrophobicContact CE2-CG2 3.82Å; F38-T103 HydrophobicContact CZ-CG2 4.01Å
39S90.9Very high93.7Very high66 Ų6651 Ų5146%0.46230%0.297SS..  trans-94.2127.2176.8-163.80000110.9G37 M41 R67G37-S39 PolarHBondContact O-N 2.94Å; S39-M41 WeakPolarHBondContact OG-CE 3.48Å; S39-R67 PolarHBondContact O-NE 2.97Å
40V94.2Very high93.6Very high9 Ų946.4 Ų46.46%0.05529%0.285CS..  trans-115.3113.8176.8-175.40000108.2A22 I24 L31 F38 D44 V45 L48 F66A22-V40 HydrophobicContact CB-CG2 3.95Å; I24-V40 HydrophobicContact CD1-CG1 4.49Å; L31-V40 HydrophobicContact CD1-CB 4.2Å; L31-V40 HydrophobicContact CD1-CG2 4.32Å; L31-V40 HydrophobicContact CD2-CB 4.39Å; F38-V40 HydrophobicContact CD1-CG2 3.73Å; F38-V40 HydrophobicContact CE1-CG2 3.37Å; F38-V40 HydrophobicContact CZ-CG2 4.1Å; V40-D44 HydrophobicContact CG1-CB 3.82Å; V40-V45 HydrophobicContact CG1-CG2 3.73Å; V40-L48 HydrophobicContact CG1-CD1 4.5Å; V40-F66 HydrophobicContact CG1-CE2 4.1Å; V40-F66 HydrophobicContact CG2-CZ 4.42Å
41M94.6Very high93.2Very high95 Ų9545 Ų4547%0.46828%0.276SS..  trans-73.4155.3-177.8-67.4-64110.600111.2S39 N43 D44 V45S39-M41 WeakPolarHBondContact OG-CE 3.48Å; M41-N43 PolarHBondContact O-N 2.99Å; M41-N43 VanDerWaalsContact O-N 3.07Å; M41-D44 WeakPolarHBondContact CB-OD2 3.31Å; M41-D44 PolarHBondContact N-OD2 3.25Å; M41-D44 WeakPolarHBondContact O-CA 3.49Å; M41-D44 WeakPolarHBondContact O-CB 3.37Å; M41-D44 PolarHBondContact O-N 3.36Å; M41-V45 PolarHBondContact O-N 3.38Å
42P94.1Very high92.7Very high89 Ų8942.9 Ų42.958%0.57826%0.264SS*.Hα-helixtrans-55-30.2175.6-27.735.5000113.7R46P42-R46 WeakPolarHBondContact O-CG 3.47Å; P42-R46 PolarHBondContact O-N 3.42Å; P42-R46 PolarHBondContact O-NH1 3.37Å
43N94.2Very high91.8Very high80 Ų8044.2 Ų44.243%0.42828%0.278SS..Hα-helixtrans-69.4-42.6174.7-16255.6000112.5M41 V45 R46 T47M41-N43 PolarHBondContact O-N 2.99Å; M41-N43 VanDerWaalsContact O-N 3.07Å; N43-V45 VanDerWaalsContact C-N 3.32Å; N43-V45 PolarHBondContact O-N 2.9Å; N43-R46 WeakPolarHBondContact O-CB 3.26Å; N43-R46 PolarHBondContact O-N 3.44Å; N43-R46 PolarHBondContact OD1-NH2 2.91Å; N43-T47 PolarHBondContact O-N 2.98Å; N43-T47 PolarHBondContact O-OG1 3.33Å
44D94.9Very high90.5Very high12 Ų1249 Ų496%0.06430%0.298CS..Hα-helixtrans-61.4-42.1175.2-65.2-47.6000111.2V40 M41 R46 T47 L48 F66 R67V40-D44 HydrophobicContact CG1-CB 3.82Å; M41-D44 WeakPolarHBondContact CB-OD2 3.31Å; M41-D44 PolarHBondContact N-OD2 3.25Å; M41-D44 WeakPolarHBondContact O-CA 3.49Å; M41-D44 WeakPolarHBondContact O-CB 3.37Å; M41-D44 PolarHBondContact O-N 3.36Å; D44-R46 VanDerWaalsContact C-N 3.31Å; D44-R46 PolarHBondContact O-N 2.86Å; D44-T47 PolarHBondContact O-N 2.93Å; D44-T47 VanDerWaalsContact O-N 3.15Å; D44-L48 WeakPolarHBondContact O-CB 3.33Å; D44-L48 VanDerWaalsContact O-CG 3.27Å; D44-L48 WeakPolarHBondContact O-CG 3.4Å; D44-L48 PolarHBondContact O-N 2.65Å; D44-F66 HydrophobicContact CB-CD2 3.73Å; D44-F66 HydrophobicContact CB-CE2 3.75Å; D44-R67 PolarHBondContact OD1-N 3.1Å
45V95.5Very high89Confident4 Ų452 Ų522%0.02431%0.31CS..Hα-helixtrans-56-47174.8174.10000110.9I24 R29 V40 M41 N43 T47 L48 V49I24-V45 HydrophobicContact CD1-CB 4.44Å; I24-V45 HydrophobicContact CD1-CG1 4.34Å; I24-V45 HydrophobicContact CD1-CG2 4.05Å; I24-V45 HydrophobicContact CG1-CG2 4.32Å; I24-V45 HydrophobicContact CG2-CG1 3.6Å; R29-V45 VanDerWaalsContact O-CG1 3.23Å; R29-V45 WeakPolarHBondContact O-CG1 3.19Å; V40-V45 HydrophobicContact CG1-CG2 3.73Å; M41-V45 PolarHBondContact O-N 3.38Å; N43-V45 VanDerWaalsContact C-N 3.32Å; N43-V45 PolarHBondContact O-N 2.9Å; V45-T47 PolarHBondContact O-N 2.93Å; V45-L48 PolarHBondContact O-N 3.05Å; V45-V49 HydrophobicContact CG1-CG2 4.4Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.32Å; V45-V49 PolarHBondContact O-N 2.6Å
46R92.8Very high87.8Confident117 Ų11753.2 Ų53.244%0.44232%0.318SS..Hα-helixtrans-62.2-43.3176.9-71.1-175.3-62.6-97.57.2111.8P42 N43 D44 V49 N50P42-R46 WeakPolarHBondContact O-CG 3.47Å; P42-R46 PolarHBondContact O-N 3.42Å; P42-R46 PolarHBondContact O-NH1 3.37Å; N43-R46 WeakPolarHBondContact O-CB 3.26Å; N43-R46 PolarHBondContact O-N 3.44Å; N43-R46 PolarHBondContact OD1-NH2 2.91Å; D44-R46 VanDerWaalsContact C-N 3.31Å; D44-R46 PolarHBondContact O-N 2.86Å; R46-V49 PolarHBondContact O-N 3.16Å; R46-N50 WeakPolarHBondContact O-CB 3.39Å; R46-N50 PolarHBondContact O-N 2.81Å; R46-N50 PolarHBondContact O-ND2 3.44Å
47T92.3Very high87Confident37 Ų3753.4 Ų53.423%0.22731%0.313CS..Hα-helixtrans-60.9-45.7178.3-59.70000111.4N43 D44 V45 N50 G51 L64 Y65N43-T47 PolarHBondContact O-N 2.98Å; N43-T47 PolarHBondContact O-OG1 3.33Å; D44-T47 PolarHBondContact O-N 2.93Å; D44-T47 VanDerWaalsContact O-N 3.15Å; V45-T47 PolarHBondContact O-N 2.93Å; T47-N50 PolarHBondContact O-N 2.91Å; T47-G51 PolarHBondContact O-N 2.82Å; T47-L64 HydrophobicContact CG2-CD1 3.87Å; T47-Y65 WeakPolarHBondContact CG2-O 3.3Å
48L93.6Very high86.4Confident2 Ų252.3 Ų52.31%0.0129%0.287CS..Hα-helixtrans-62.6-47178-69.1167.7000112.2I24 V40 D44 V45 N50 G51 F52 L64 F66 V92 L99 V101I24-L48 HydrophobicContact CD1-CB 4.42Å; I24-L48 HydrophobicContact CD1-CD1 3.51Å; V40-L48 HydrophobicContact CG1-CD1 4.5Å; D44-L48 WeakPolarHBondContact O-CB 3.33Å; D44-L48 VanDerWaalsContact O-CG 3.27Å; D44-L48 WeakPolarHBondContact O-CG 3.4Å; D44-L48 PolarHBondContact O-N 2.65Å; V45-L48 PolarHBondContact O-N 3.05Å; L48-N50 VanDerWaalsContact C-N 3.35Å; L48-N50 PolarHBondContact O-N 2.91Å; L48-G51 PolarHBondContact O-N 2.8Å; L48-F52 WeakPolarHBondContact O-CD2 3.25Å; L48-L64 HydrophobicContact CD2-CD1 4.42Å; L48-L64 HydrophobicContact CD2-CD2 4.04Å; L48-F66 HydrophobicContact CD1-CD2 3.95Å; L48-F66 HydrophobicContact CD1-CE2 3.56Å; L48-F66 HydrophobicContact CD1-CZ 4.41Å; L48-F66 HydrophobicContact CD2-CD2 4.18Å; L48-F66 HydrophobicContact CD2-CE2 4.43Å; L48-F66 HydrophobicContact CG-CD2 4.08Å; L48-F66 HydrophobicContact CG-CE2 4.2Å; L48-V92 HydrophobicContact CD2-CG1 4.46Å; L48-V92 HydrophobicContact CD2-CG2 3.62Å; L48-L99 HydrophobicContact CB-CD1 4.32Å; L48-V101 HydrophobicContact CD1-CG1 4.42Å; L48-V101 HydrophobicContact CD1-CG2 3.72Å
49V92.6Very high85.8Confident11 Ų1152.3 Ų52.37%0.06729%0.288CS..Hα-helixtrans-62.2-43.3176.4173.80000111.2I24 R29 V45 R46 G51 F52 A53 L99I24-V49 HydrophobicContact CG2-CG2 4.26Å; R29-V49 HydrophobicContact CG-CG1 4.36Å; V45-V49 HydrophobicContact CG1-CG2 4.4Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.32Å; V45-V49 PolarHBondContact O-N 2.6Å; R46-V49 PolarHBondContact O-N 3.16Å; V49-G51 VanDerWaalsContact C-N 3.25Å; V49-G51 PolarHBondContact O-N 2.83Å; V49-F52 PolarHBondContact O-N 2.85Å; V49-A53 PolarHBondContact O-N 3.37Å; V49-A53 VanDerWaalsContact O-N 3.1Å; V49-L99 HydrophobicContact CB-CD1 4.38Å; V49-L99 HydrophobicContact CG2-CD1 3.8Å
50N89.4Confident85.5Confident57 Ų5755.8 Ų55.831%0.30529%0.291SS..Hα-helixtrans-66.1-28178.8-72.4-21.6000112.8R46 T47 L48 F52 A53 K54R46-N50 WeakPolarHBondContact O-CB 3.39Å; R46-N50 PolarHBondContact O-N 2.81Å; R46-N50 PolarHBondContact O-ND2 3.44Å; T47-N50 PolarHBondContact O-N 2.91Å; L48-N50 VanDerWaalsContact C-N 3.35Å; L48-N50 PolarHBondContact O-N 2.91Å; N50-F52 PolarHBondContact O-N 3.26Å; N50-A53 PolarHBondContact O-N 3.44Å; N50-K54 WeakPolarHBondContact O-CB 3.3Å; N50-K54 PolarHBondContact O-N 3.4Å
51G86.1Confident85.1Confident8 Ų864.4 Ų64.48%0.08232%0.323CS..Hα-helixtrans-59-27.1174.300000113.6T47 L48 V49T47-G51 PolarHBondContact O-N 2.82Å; L48-G51 PolarHBondContact O-N 2.8Å; V49-G51 VanDerWaalsContact C-N 3.25Å; V49-G51 PolarHBondContact O-N 2.83Å
52F84.8Confident84.8Confident28 Ų2865.7 Ų65.712%0.12333%0.328CS..Hα-helixtrans-102.6-18.6175.2-68.1-84.3000114.1L48 V49 N50 L81 V92 K94 L99L48-F52 WeakPolarHBondContact O-CD2 3.25Å; V49-F52 PolarHBondContact O-N 2.85Å; N50-F52 PolarHBondContact O-N 3.26Å; F52-L81 HydrophobicContact CE1-CB 4.07Å; F52-L81 HydrophobicContact CE2-CB 4.01Å; F52-L81 HydrophobicContact CZ-CB 3.48Å; F52-L81 VanDerWaalsContact CZ-CB 3.48Å; F52-V92 HydrophobicContact CE2-CB 3.94Å; F52-V92 HydrophobicContact CE2-CG1 3.53Å; F52-V92 HydrophobicContact CZ-CB 4.1Å; F52-V92 HydrophobicContact CZ-CG1 4.03Å; F52-K94 HydrophobicContact CB-CD 4.16Å; F52-K94 HydrophobicContact CD1-CB 3.98Å; F52-K94 HydrophobicContact CD1-CD 3.92Å; F52-K94 HydrophobicContact CE1-CB 3.88Å; F52-K94 HydrophobicContact CG-CB 4.39Å; F52-K94 HydrophobicContact CG-CD 4.14Å; F52-K94 HydrophobicContact CZ-CB 4.23Å; F52-L99 HydrophobicContact CD2-CD1 4.14Å; F52-L99 HydrophobicContact CD2-CD2 3.69Å; F52-L99 HydrophobicContact CE2-CD1 4.46Å; F52-L99 HydrophobicContact CE2-CD2 3.8Å; F52-L99 HydrophobicContact CG-CD2 4.33Å; F52-L99 HydrophobicContact CZ-CD2 4.49Å
53A74.6Confident84.6Confident77 Ų7762.2 Ų62.264%0.63631%0.308SS*.Hα-helixtrans-84.5-28.9177.900000112.4V49 N50V49-A53 PolarHBondContact O-N 3.37Å; V49-A53 VanDerWaalsContact O-N 3.1Å; N50-A53 PolarHBondContact O-N 3.44Å
54K64.9Low84.5Confident112 Ų11258.7 Ų58.749%0.48729%0.289SS..SBendtrans-87153.2175.5-68.1-176.7177-177.60110.1N50 P56N50-K54 WeakPolarHBondContact O-CB 3.3Å; N50-K54 PolarHBondContact O-N 3.4Å; K54-P56 WeakPolarHBondContact O-CD 3.3Å; K54-P56 VanDerWaalsContact O-N 3.15Å
55N66Low84.5Confident91 Ų9163.1 Ų63.149%0.48731%0.306SS..  trans-47.4121.5173.7-176.2-24.7000109.8L57 I58N55-L57 PolarHBondContact O-N 3.44Å; N55-L57 WeakPolarHBondContact OD1-CB 3.37Å; N55-L57 VanDerWaalsContact OD1-CG 3.24Å; N55-L57 WeakPolarHBondContact OD1-CG 3.47Å; N55-L57 PolarHBondContact OD1-N 3.01Å; N55-L57 VanDerWaalsContact OD1-N 3.12Å; N55-I58 PolarHBondContact O-N 2.84Å
56P70.7Confident84.5Confident31 Ų3163 Ų6320%0.20131%0.305CS..Hα-helixtrans-50.6-24.7-177.5-29.134000114.1K54 I58 T59 R60 A76K54-P56 WeakPolarHBondContact O-CD 3.3Å; K54-P56 VanDerWaalsContact O-N 3.15Å; P56-I58 VanDerWaalsContact C-N 3.3Å; P56-I58 PolarHBondContact O-N 2.9Å; P56-T59 PolarHBondContact O-N 2.78Å; P56-R60 VanDerWaalsContact O-CG 3.3Å; P56-R60 WeakPolarHBondContact O-CG 3.48Å; P56-R60 PolarHBondContact O-N 3.21Å; P56-A76 HydrophobicContact CB-CB 4.44Å
57L75Confident84.5Confident106 Ų10661.8 Ų61.856%0.55530%0.3SS*.Hα-helixtrans-57.4-36.9174.7-66175.5000113.8N55 R61N55-L57 PolarHBondContact O-N 3.44Å; N55-L57 WeakPolarHBondContact OD1-CB 3.37Å; N55-L57 VanDerWaalsContact OD1-CG 3.24Å; N55-L57 WeakPolarHBondContact OD1-CG 3.47Å; N55-L57 PolarHBondContact OD1-N 3.01Å; N55-L57 VanDerWaalsContact OD1-N 3.12Å; L57-R61 PolarHBondContact O-N 3.24Å
58I79.8Confident84.5Confident57 Ų5768.1 Ų68.129%0.29233%0.327SS..Hα-helixtrans-68-48.7-179.9-64.1175.1000109.4N55 P56 R60 R61 E62N55-I58 PolarHBondContact O-N 2.84Å; P56-I58 VanDerWaalsContact C-N 3.3Å; P56-I58 PolarHBondContact O-N 2.9Å; I58-R60 VanDerWaalsContact C-N 3.28Å; I58-R60 PolarHBondContact O-N 2.85Å; I58-R61 PolarHBondContact O-N 3.18Å; I58-E62 HydrophobicContact CG2-CG 4.43Å; I58-E62 WeakPolarHBondContact CG2-OE2 3.14Å; I58-E62 PolarHBondContact O-N 3.37Å
59T81.9Confident84.5Confident10 Ų1073 Ų736%0.06135%0.348CS..Hα-helixtrans-65.6-32.7-179.8-50.90000112.4P56 R61 G63 C73 L81P56-T59 PolarHBondContact O-N 2.78Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.95Å; T59-G63 WeakPolarHBondContact O-CA 3.34Å; T59-G63 PolarHBondContact O-N 2.95Å; T59-C73 VanDerWaalsContact O-CB 3.3Å; T59-C73 WeakPolarHBondContact O-CB 3.32Å; T59-L81 HydrophobicContact CG2-CD1 3.33Å
60R84.1Confident84.7Confident139 Ų13977.6 Ų77.653%0.52537%0.372SS..Hα-helixtrans-61.1-37.7170.2-72.8176.3-172.7176.20.1112.6P56 I58 A76P56-R60 VanDerWaalsContact O-CG 3.3Å; P56-R60 WeakPolarHBondContact O-CG 3.48Å; P56-R60 PolarHBondContact O-N 3.21Å; I58-R60 VanDerWaalsContact C-N 3.28Å; I58-R60 PolarHBondContact O-N 2.85Å; R60-A76 HydrophobicContact CG-CB 3.96Å; R60-A76 VanDerWaalsContact CZ-O 3.27Å; R60-A76 PolarHBondContact NE-O 3.17Å; R60-A76 PolarHBondContact NH2-O 3.13Å
61R85.4Confident85Confident190 Ų19075.7 Ų75.772%0.71736%0.361SS*.Hα-helixtrans-80.5-46.4-178.2-173.9-177.767.7-164.40.7112.6L57 I58 T59L57-R61 PolarHBondContact O-N 3.24Å; I58-R61 PolarHBondContact O-N 3.18Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.95Å
62E87.9Confident85.5Confident122 Ų12282.8 Ų82.857%0.5739%0.39SS*.Hα-helixtrans-91.9-19.1-170.3-69.3170.7-162.800113I58I58-E62 HydrophobicContact CG2-CG 4.43Å; I58-E62 WeakPolarHBondContact CG2-OE2 3.14Å; I58-E62 PolarHBondContact O-N 3.37Å
63G90Very high86Confident16 Ų1682.5 Ų82.517%0.16539%0.391CS..  trans79.7-156.7-173.900000112.5T59 Y71T59-G63 WeakPolarHBondContact O-CA 3.34Å; T59-G63 PolarHBondContact O-N 2.95Å; G63-Y71 CarbonylContact C-O 3.53Å; G63-Y71 VanDerWaalsContact CA-O 3.23Å; G63-Y71 WeakPolarHBondContact CA-O 3.38Å
64L93.1Very high87Confident5 Ų583.2 Ų83.23%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-132.8120.8-179.1-175.881000109.7T47 L48 F66 Y71 L81 A83 V90T47-L64 HydrophobicContact CG2-CD1 3.87Å; L48-L64 HydrophobicContact CD2-CD1 4.42Å; L48-L64 HydrophobicContact CD2-CD2 4.04Å; L64-F66 HydrophobicContact CD2-CB 3.97Å; L64-F66 HydrophobicContact CG-CB 4.23Å; L64-Y71 PolarHBondContact N-O 2.86Å; L64-Y71 PolarHBondContact O-N 2.95Å; L64-L81 HydrophobicContact CD1-CD2 4.29Å; L64-L81 HydrophobicContact CD2-CD2 3.96Å; L64-A83 HydrophobicContact CB-CB 4.09Å; L64-V90 HydrophobicContact CD2-CG1 3.59Å; L64-V90 HydrophobicContact CD2-CG2 4.49Å
65Y93.7Very high88.4Confident106 Ų10683 Ų8342%0.41638%0.383SS..EExtended strand (participates in β ladder)trans-89.8114.3168.5-173.8-101.7000109.8T47 E68 K69 D70T47-Y65 WeakPolarHBondContact CG2-O 3.3Å; Y65-E68 WeakPolarHBondContact OH-CA 3.2Å; Y65-K69 WeakPolarHBondContact CA-O 3.32Å; Y65-D70 WeakPolarHBondContact CD2-OD1 3.41Å
66F95.1Very high89.6Confident1 Ų178.8 Ų78.80%0.00436%0.361CS..EExtended strand (participates in β ladder)trans-145.8130-174.9177.7-110.7000110.7F38 V40 D44 L48 L64 E68 K69 Y71 V90 V101 T103F38-F66 HydrophobicContact CE2-CE1 4.47Å; F38-F66 HydrophobicContact CZ-CE1 4.07Å; F38-F66 AromaticContact CZ-CZ 3.79Å; F38-F66 HydrophobicContact CZ-CZ 3.79Å; V40-F66 HydrophobicContact CG1-CE2 4.1Å; V40-F66 HydrophobicContact CG2-CZ 4.42Å; D44-F66 HydrophobicContact CB-CD2 3.73Å; D44-F66 HydrophobicContact CB-CE2 3.75Å; L48-F66 HydrophobicContact CD1-CD2 3.95Å; L48-F66 HydrophobicContact CD1-CE2 3.56Å; L48-F66 HydrophobicContact CD1-CZ 4.41Å; L48-F66 HydrophobicContact CD2-CD2 4.18Å; L48-F66 HydrophobicContact CD2-CE2 4.43Å; L48-F66 HydrophobicContact CG-CD2 4.08Å; L48-F66 HydrophobicContact CG-CE2 4.2Å; L64-F66 HydrophobicContact CD2-CB 3.97Å; L64-F66 HydrophobicContact CG-CB 4.23Å; F66-E68 VanDerWaalsContact C-N 3.3Å; F66-E68 PolarHBondContact O-N 3.35Å; F66-K69 PolarHBondContact N-O 3.48Å; F66-K69 PolarHBondContact O-N 3.24Å; F66-Y71 HydrophobicContact CB-CD2 4.31Å; F66-Y71 HydrophobicContact CB-CE2 4.18Å; F66-Y71 HydrophobicContact CD1-CE2 4.42Å; F66-Y71 WeakPolarHBondContact O-CE2 3.25Å; F66-V90 HydrophobicContact CD1-CG2 4.2Å; F66-V90 HydrophobicContact CE1-CG2 4.27Å; F66-V101 HydrophobicContact CZ-CG1 4.16Å; F66-T103 HydrophobicContact CE1-CG2 4Å
67R93.9Very high90.6Very high91 Ų9179.3 Ų79.334%0.34336%0.362SS..THydrogen-bonded Turntrans49.851.2-179.5-63.3-176.968.8-156.7-0.7112.4S39 D44 K69S39-R67 PolarHBondContact O-NE 2.97Å; D44-R67 PolarHBondContact OD1-N 3.1Å; R67-K69 PolarHBondContact O-N 3.46Å
68E92.6Very high91.3Very high170 Ų17079.5 Ų79.579%0.79436%0.364SS*.THydrogen-bonded Turntrans61.226.1176.3-54.5179.6156.600114.6Y65 F66Y65-E68 WeakPolarHBondContact OH-CA 3.2Å; F66-E68 VanDerWaalsContact C-N 3.3Å; F66-E68 PolarHBondContact O-N 3.35Å
69K93.9Very high92Very high106 Ų10683 Ų8346%0.46137%0.374SS..EExtended strand (participates in β ladder)trans-136.7140.3177.6-64.4-179.7-176.8-177.30111.1Y65 F66 R67 Y71Y65-K69 WeakPolarHBondContact CA-O 3.32Å; F66-K69 PolarHBondContact N-O 3.48Å; F66-K69 PolarHBondContact O-N 3.24Å; R67-K69 PolarHBondContact O-N 3.46Å; K69-Y71 HydrophobicContact CB-CD2 4.37Å; K69-Y71 HydrophobicContact CB-CE2 3.71Å; K69-Y71 WeakPolarHBondContact O-CD2 3.21Å
70D95.1Very high92.6Very high106 Ų10682.7 Ų82.757%0.56737%0.373SS*.EExtended strand (participates in β ladder)trans-82.3129.4169.7-69.7-69.8000110.8Y65 N85Y65-D70 WeakPolarHBondContact CD2-OD1 3.41Å; D70-N85 WeakPolarHBondContact O-CB 3.35Å; D70-N85 PolarHBondContact O-ND2 3.13Å
71Y96.6Very high93.2Very high17 Ų1776.3 Ų76.37%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-115.4131.3173.5-65.2-102.8000109.6G63 L64 F66 K69 C73 A83 K84 N85 V90G63-Y71 CarbonylContact C-O 3.53Å; G63-Y71 VanDerWaalsContact CA-O 3.23Å; G63-Y71 WeakPolarHBondContact CA-O 3.38Å; L64-Y71 PolarHBondContact N-O 2.86Å; L64-Y71 PolarHBondContact O-N 2.95Å; F66-Y71 HydrophobicContact CB-CD2 4.31Å; F66-Y71 HydrophobicContact CB-CE2 4.18Å; F66-Y71 HydrophobicContact CD1-CE2 4.42Å; F66-Y71 WeakPolarHBondContact O-CE2 3.25Å; K69-Y71 HydrophobicContact CB-CD2 4.37Å; K69-Y71 HydrophobicContact CB-CE2 3.71Å; K69-Y71 WeakPolarHBondContact O-CD2 3.21Å; Y71-C73 PolarHBondContact O-N 3.11Å; Y71-A83 VanDerWaalsContact CB-CB 3.44Å; Y71-A83 HydrophobicContact CG-CB 4.39Å; Y71-K84 CarbonylContact C-O 3.58Å; Y71-N85 HydrophobicContact CD1-CB 3.73Å; Y71-N85 HydrophobicContact CE1-CB 3.92Å; Y71-N85 HydrophobicContact CG-CB 4.2Å; Y71-V90 HydrophobicContact CD1-CG1 3.93Å; Y71-V90 HydrophobicContact CD2-CG1 4.35Å; Y71-V90 HydrophobicContact CE1-CG1 4.3Å; Y71-V90 HydrophobicContact CG-CG1 3.98Å
72K96.2Very high93.8Very high158 Ų15868.5 Ų68.569%0.68732%0.32SS*.EExtended strand (participates in β ladder)trans-73.9127.9172.2-173.5174.7-179.1175.30109.4V74 A83 K84K72-V74 PolarHBondContact O-N 2.87Å; K72-A83 CarbonylContact O-C 3.56Å; K72-A83 VanDerWaalsContact O-CA 3.22Å; K72-A83 WeakPolarHBondContact O-CA 3.36Å; K72-K84 PolarHBondContact N-O 2.98Å; K72-K84 PolarHBondContact O-N 3.04Å
73C95.1Very high94.2Very high21 Ų2162.8 Ų62.814%0.14229%0.293CS..EExtended strand (participates in β ladder)trans-63133.3175.1-176.30000110.7T59 Y71 R75T59-C73 VanDerWaalsContact O-CB 3.3Å; T59-C73 WeakPolarHBondContact O-CB 3.32Å; Y71-C73 PolarHBondContact O-N 3.11Å; C73-R75 VanDerWaalsContact SG-C 3.57Å; C73-R75 PolarHBondContact SG-O 2.73Å; C73-R75 VanDerWaalsContact SG-O 3.4Å
74V95.4Very high94.5Very high92 Ų9267 Ų6756%0.55831%0.307SS*.EExtended strand (participates in β ladder)trans-108.4-39.7173.6179.80000109.9K72 Y82 K84K72-V74 PolarHBondContact O-N 2.87Å; V74-Y82 PolarHBondContact N-O 3.13Å; V74-K84 HydrophobicContact CG2-CB 4.22Å; V74-K84 HydrophobicContact CG2-CD 3.82Å; V74-K84 HydrophobicContact CG2-CG 3.65Å
75R94Very high94.7Very high107 Ų10769.3 Ų69.340%0.40432%0.319SS..EExtended strand (participates in β ladder)trans-143.6139.7177-176.5-178.4177175.4-2.4108.7C73 D77 L81 Y82C73-R75 VanDerWaalsContact SG-C 3.57Å; C73-R75 PolarHBondContact SG-O 2.73Å; C73-R75 VanDerWaalsContact SG-O 3.4Å; R75-D77 IonicContact CZ-OD2 2.71Å; R75-D77 IonicContact NE-OD2 3.11Å; R75-D77 PolarHBondContact NE-OD2 3.35Å; R75-D77 IonicContact NH2-OD2 3.81Å; R75-D77 PolarHBondContact NH2-OD2 3.48Å; R75-L81 CarbonylContact O-C 3.53Å; R75-L81 WeakPolarHBondContact O-CA 3.48Å; R75-Y82 HydrophobicContact CB-CD2 3.6Å; R75-Y82 HydrophobicContact CB-CE2 4.21Å; R75-Y82 HydrophobicContact CB-CG 3.89Å; R75-Y82 HydrophobicContact CG-CD2 4.25Å; R75-Y82 HydrophobicContact CG-CE2 4.38Å; R75-Y82 PolarHBondContact N-O 3.12Å; R75-Y82 VanDerWaalsContact N-O 3.16Å; R75-Y82 PolarHBondContact NH1-OH 3.35Å; R75-Y82 PolarHBondContact O-N 2.66Å
76A92.8Very high94.8Very high3 Ų372.4 Ų72.43%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-150118.316600000108.2P56 R60 S80 L81P56-A76 HydrophobicContact CB-CB 4.44Å; R60-A76 HydrophobicContact CG-CB 3.96Å; R60-A76 VanDerWaalsContact CZ-O 3.27Å; R60-A76 PolarHBondContact NE-O 3.17Å; R60-A76 PolarHBondContact NH2-O 3.13Å; A76-S80 WeakPolarHBondContact CA-O 3.39Å; A76-L81 HydrophobicContact CB-CD1 4.37Å
77D91.4Very high94.8Very high42 Ų4278 Ų7823%0.22537%0.367CS..SBendtrans-139.1-169.5172.261.250.9000109.4R75 Y79 S80R75-D77 IonicContact CZ-OD2 2.71Å; R75-D77 IonicContact NE-OD2 3.11Å; R75-D77 PolarHBondContact NE-OD2 3.35Å; R75-D77 IonicContact NH2-OD2 3.81Å; R75-D77 PolarHBondContact NH2-OD2 3.48Å; D77-Y79 PolarHBondContact O-N 3.41Å; D77-Y79 PolarHBondContact OD1-N 3.24Å; D77-S80 PolarHBondContact N-O 3.24Å; D77-S80 PolarHBondContact OD1-N 2.93Å
78D90.1Very high94.9Very high111 Ų11175 Ų7559%0.59436%0.36SS*.SBendtrans-63.7-22.8-173.8-62.5-29.4000113.7K94D78-K94 WeakPolarHBondContact O-CD 3.36Å
79Y93.3Very high95.2Very high130 Ų13067 Ų6751%0.5132%0.322SS..SBendtrans-122.6-23.1-172.4-64.7-68.4000114.3D77 V93 K94D77-Y79 PolarHBondContact O-N 3.41Å; D77-Y79 PolarHBondContact OD1-N 3.24Å; Y79-V93 CarbonylContact O-C 3.44Å; Y79-V93 WeakPolarHBondContact O-CA 3.4Å; Y79-K94 PolarHBondContact O-N 2.88Å
80S95.6Very high95.4Very high4 Ų461.9 Ų61.93%0.02830%0.3CS..EExtended strand (participates in β ladder)trans-134.3128.2-170-58.80000110.8A76 D77 E118A76-S80 WeakPolarHBondContact CA-O 3.39Å; D77-S80 PolarHBondContact N-O 3.24Å; D77-S80 PolarHBondContact OD1-N 2.93Å; S80-E118 VanDerWaalsContact CB-OE1 3.3Å; S80-E118 WeakPolarHBondContact CB-OE1 3.38Å; S80-E118 PolarHBondContact OG-OE1 2.8Å
81L96Very high95.5Very high4 Ų457 Ų572%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-128.7115.6173.9176.7138.9000109.6F52 T59 L64 R75 A76 V92F52-L81 HydrophobicContact CE1-CB 4.07Å; F52-L81 HydrophobicContact CE2-CB 4.01Å; F52-L81 HydrophobicContact CZ-CB 3.48Å; F52-L81 VanDerWaalsContact CZ-CB 3.48Å; T59-L81 HydrophobicContact CG2-CD1 3.33Å; L64-L81 HydrophobicContact CD1-CD2 4.29Å; L64-L81 HydrophobicContact CD2-CD2 3.96Å; R75-L81 CarbonylContact O-C 3.53Å; R75-L81 WeakPolarHBondContact O-CA 3.48Å; A76-L81 HydrophobicContact CB-CD1 4.37Å; L81-V92 HydrophobicContact CB-CB 4.28Å; L81-V92 HydrophobicContact CD2-CB 4.16Å; L81-V92 HydrophobicContact CD2-CG2 3.75Å; L81-V92 PolarHBondContact N-O 3.49Å; L81-V92 PolarHBondContact O-N 3.15Å
82Y97.3Very high95.6Very high27 Ų2756.2 Ų56.211%0.10627%0.27CS..EExtended strand (participates in β ladder)trans-116.6130178.4-49-19.2000108.5V74 R75 I91 V114 E118V74-Y82 PolarHBondContact N-O 3.13Å; R75-Y82 HydrophobicContact CB-CD2 3.6Å; R75-Y82 HydrophobicContact CB-CE2 4.21Å; R75-Y82 HydrophobicContact CB-CG 3.89Å; R75-Y82 HydrophobicContact CG-CD2 4.25Å; R75-Y82 HydrophobicContact CG-CE2 4.38Å; R75-Y82 PolarHBondContact N-O 3.12Å; R75-Y82 VanDerWaalsContact N-O 3.16Å; R75-Y82 PolarHBondContact NH1-OH 3.35Å; R75-Y82 PolarHBondContact O-N 2.66Å; Y82-I91 HydrophobicContact CD1-CB 4.47Å; Y82-I91 HydrophobicContact CD1-CD1 3.93Å; Y82-I91 HydrophobicContact CD1-CG2 3.73Å; Y82-I91 HydrophobicContact CE1-CG2 3.73Å; Y82-I91 HydrophobicContact CG-CD1 3.95Å; Y82-V114 HydrophobicContact CD2-CG2 4.46Å; Y82-V114 HydrophobicContact CE2-CG1 3.95Å; Y82-V114 HydrophobicContact CE2-CG2 4.37Å; Y82-E118 WeakPolarHBondContact CE1-OE1 3.42Å; Y82-E118 PolarHBondContact OH-OE1 3.12Å
83A97.1Very high95.6Very high2 Ų248.7 Ų48.72%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-137.4149.2174.800000110.3L64 Y71 K72 G89 V90L64-A83 HydrophobicContact CB-CB 4.09Å; Y71-A83 VanDerWaalsContact CB-CB 3.44Å; Y71-A83 HydrophobicContact CG-CB 4.39Å; K72-A83 CarbonylContact O-C 3.56Å; K72-A83 VanDerWaalsContact O-CA 3.22Å; K72-A83 WeakPolarHBondContact O-CA 3.36Å; A83-G89 CarbonylContact O-C 3.56Å; A83-G89 VanDerWaalsContact O-CA 3.28Å; A83-G89 WeakPolarHBondContact O-CA 3.33Å; A83-V90 HydrophobicContact CB-CG1 3.88Å; A83-V90 PolarHBondContact N-O 3.33Å; A83-V90 PolarHBondContact O-N 3.33Å
84K97.1Very high95.7Very high105 Ų10550.7 Ų50.746%0.45724%0.244SC..EExtended strand (participates in β ladder)trans-133.8148-177.772.3176.6-175.91700112.3Y71 K72 V74 T88Y71-K84 CarbonylContact C-O 3.58Å; K72-K84 PolarHBondContact N-O 2.98Å; K72-K84 PolarHBondContact O-N 3.04Å; V74-K84 HydrophobicContact CG2-CB 4.22Å; V74-K84 HydrophobicContact CG2-CD 3.82Å; V74-K84 HydrophobicContact CG2-CG 3.65Å; K84-T88 WeakPolarHBondContact CA-O 3.3Å
85N97Very high95.7Very high52 Ų5246.6 Ų46.628%0.27822%0.219SC..EExtended strand (participates in β ladder)trans-131.9109169.5-178.3-28.9000107.1D70 Y71 N87 T88D70-N85 WeakPolarHBondContact O-CB 3.35Å; D70-N85 PolarHBondContact O-ND2 3.13Å; Y71-N85 HydrophobicContact CD1-CB 3.73Å; Y71-N85 HydrophobicContact CE1-CB 3.92Å; Y71-N85 HydrophobicContact CG-CB 4.2Å; N85-N87 PolarHBondContact O-N 2.85Å; N85-N87 VanDerWaalsContact O-N 3.08Å; N85-T88 CarbonylContact C-O 3.58Å; N85-T88 PolarHBondContact N-O 3.09Å; N85-T88 WeakPolarHBondContact O-CA 3.43Å; N85-T88 PolarHBondContact O-N 3.01Å; N85-T88 VanDerWaalsContact O-O 3.07Å; N85-T88 PolarHBondContact O-OG1 3.49Å
86E94.6Very high95.6Very high172 Ų17246.7 Ų46.780%0.80422%0.224SC*.THydrogen-bonded Turntrans49-112.1-174.3-60.8-176.5158.700112.7
87N94.9Very high95.6Very high117 Ų11749.6 Ų49.663%0.62624%0.239SC*.THydrogen-bonded Turntrans-9712.6-179.2-63.3-33.2000113N85 T105 A106N85-N87 PolarHBondContact O-N 2.85Å; N85-N87 VanDerWaalsContact O-N 3.08Å; N87-T105 CarbonylContact O-C 3.59Å; N87-T105 VanDerWaalsContact O-C 3.24Å; N87-A106 HydrophobicContact CB-CB 3.89Å; N87-A106 PolarHBondContact O-N 3.23Å
88T97.8Very high95.8Very high30 Ų3048.7 Ų48.718%0.18423%0.233CC..EExtended strand (participates in β ladder)trans-121.2158.5177.770.60000110.2K84 N85 Y104 T105K84-T88 WeakPolarHBondContact CA-O 3.3Å; N85-T88 CarbonylContact C-O 3.58Å; N85-T88 PolarHBondContact N-O 3.09Å; N85-T88 WeakPolarHBondContact O-CA 3.43Å; N85-T88 PolarHBondContact O-N 3.01Å; N85-T88 VanDerWaalsContact O-O 3.07Å; N85-T88 PolarHBondContact O-OG1 3.49Å; T88-Y104 VanDerWaalsContact CA-O 3.32Å; T88-Y104 WeakPolarHBondContact CA-O 3.22Å; T88-T105 HydrophobicContact CG2-CG2 4.49Å
89G97.7Very high96.1Very high0 Ų043.4 Ų43.40%020%0.204CC..EExtended strand (participates in β ladder)trans-165.3171.3174.900000114A83 T103 Y104A83-G89 CarbonylContact O-C 3.56Å; A83-G89 VanDerWaalsContact O-CA 3.28Å; A83-G89 WeakPolarHBondContact O-CA 3.33Å; G89-T103 CarbonylContact O-C 3.58Å; G89-T103 WeakPolarHBondContact O-CA 3.35Å; G89-T103 WeakPolarHBondContact O-CB 3.49Å; G89-Y104 VanDerWaalsContact CA-CZ 3.41Å; G89-Y104 VanDerWaalsContact N-CE2 3.33Å; G89-Y104 PolarHBondContact N-O 3.39Å; G89-Y104 PolarHBondContact O-N 3.24Å
90V98.1Very high96.3Very high0 Ų037.2 Ų37.20%018%0.18CC..EExtended strand (participates in β ladder)trans-133.4127-17758.70000109L64 F66 Y71 A83 V92 V101 A102 T103L64-V90 HydrophobicContact CD2-CG1 3.59Å; L64-V90 HydrophobicContact CD2-CG2 4.49Å; F66-V90 HydrophobicContact CD1-CG2 4.2Å; F66-V90 HydrophobicContact CE1-CG2 4.27Å; Y71-V90 HydrophobicContact CD1-CG1 3.93Å; Y71-V90 HydrophobicContact CD2-CG1 4.35Å; Y71-V90 HydrophobicContact CE1-CG1 4.3Å; Y71-V90 HydrophobicContact CG-CG1 3.98Å; A83-V90 HydrophobicContact CB-CG1 3.88Å; A83-V90 PolarHBondContact N-O 3.33Å; A83-V90 PolarHBondContact O-N 3.33Å; V90-V92 HydrophobicContact CG2-CG2 3.93Å; V90-V101 HydrophobicContact CG2-CG1 3.94Å; V90-A102 CarbonylContact C-O 3.52Å; V90-A102 WeakPolarHBondContact CA-O 3.2Å; V90-T103 HydrophobicContact CB-CG2 4.2Å; V90-T103 HydrophobicContact CG2-CG2 4.17Å
91I98.3Very high96.4Very high3 Ų337 Ų372%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-111.3124.1176.6-51.9-50.7000106.5Y82 V93 V101 A102 Y104 V114 T117Y82-I91 HydrophobicContact CD1-CB 4.47Å; Y82-I91 HydrophobicContact CD1-CD1 3.93Å; Y82-I91 HydrophobicContact CD1-CG2 3.73Å; Y82-I91 HydrophobicContact CE1-CG2 3.73Å; Y82-I91 HydrophobicContact CG-CD1 3.95Å; I91-V93 HydrophobicContact CG2-CG2 4.26Å; I91-V101 CarbonylContact O-C 3.43Å; I91-V101 WeakPolarHBondContact O-CA 3.28Å; I91-A102 PolarHBondContact N-O 2.86Å; I91-A102 PolarHBondContact O-N 2.98Å; I91-Y104 HydrophobicContact CD1-CE1 4.06Å; I91-Y104 HydrophobicContact CG1-CD1 4.47Å; I91-Y104 HydrophobicContact CG1-CE1 4.29Å; I91-V114 HydrophobicContact CD1-CG2 3.46Å; I91-V114 VanDerWaalsContact CD1-CG2 3.46Å; I91-V114 HydrophobicContact CG1-CG2 3.87Å; I91-T117 HydrophobicContact CB-CG2 4.36Å; I91-T117 HydrophobicContact CG2-CG2 3.83Å
92V97.4Very high96.5Very high0 Ų036.9 Ų36.90%018%0.178CC..EExtended strand (participates in β ladder)trans-123.5124.3177-163.10000108.7L48 F52 L81 V90 L99 L100 V101L48-V92 HydrophobicContact CD2-CG1 4.46Å; L48-V92 HydrophobicContact CD2-CG2 3.62Å; F52-V92 HydrophobicContact CE2-CB 3.94Å; F52-V92 HydrophobicContact CE2-CG1 3.53Å; F52-V92 HydrophobicContact CZ-CB 4.1Å; F52-V92 HydrophobicContact CZ-CG1 4.03Å; L81-V92 HydrophobicContact CB-CB 4.28Å; L81-V92 HydrophobicContact CD2-CB 4.16Å; L81-V92 HydrophobicContact CD2-CG2 3.75Å; L81-V92 PolarHBondContact N-O 3.49Å; L81-V92 PolarHBondContact O-N 3.15Å; V90-V92 HydrophobicContact CG2-CG2 3.93Å; V92-L99 HydrophobicContact CG1-CB 4.22Å; V92-L99 HydrophobicContact CG1-CD2 4.5Å; V92-L100 CarbonylContact C-O 3.51Å; V92-L100 VanDerWaalsContact CA-O 3.25Å; V92-L100 WeakPolarHBondContact CA-O 3.39Å; V92-V101 HydrophobicContact CG1-CG2 4.09Å; V92-V101 HydrophobicContact CG2-CG1 4.49Å
93V97.5Very high96.6Very high0 Ų035.9 Ų35.90%017%0.174CC..EExtended strand (participates in β ladder)trans-120.4125.4179.4-179.20000109.1Y79 I91 L100 T117 E118Y79-V93 CarbonylContact O-C 3.44Å; Y79-V93 WeakPolarHBondContact O-CA 3.4Å; I91-V93 HydrophobicContact CG2-CG2 4.26Å; V93-L100 HydrophobicContact CB-CB 4.45Å; V93-L100 PolarHBondContact N-O 2.96Å; V93-L100 PolarHBondContact O-N 3.26Å; V93-T117 HydrophobicContact CB-CG2 4.33Å; V93-T117 HydrophobicContact CG2-CG2 3.7Å; V93-E118 HydrophobicContact CG2-CG 4.21Å
94K95.7Very high96.6Very high63 Ų6336.8 Ų36.827%0.27418%0.178SC..EExtended strand (participates in β ladder)trans-90.3127.2179.1-177.2-171.5178.1-174.50110.9L26 F52 D78 Y79 L99 R125L26-K94 HydrophobicContact CD1-CG 3.98Å; F52-K94 HydrophobicContact CB-CD 4.16Å; F52-K94 HydrophobicContact CD1-CB 3.98Å; F52-K94 HydrophobicContact CD1-CD 3.92Å; F52-K94 HydrophobicContact CE1-CB 3.88Å; F52-K94 HydrophobicContact CG-CB 4.39Å; F52-K94 HydrophobicContact CG-CD 4.14Å; F52-K94 HydrophobicContact CZ-CB 4.23Å; D78-K94 WeakPolarHBondContact O-CD 3.36Å; Y79-K94 PolarHBondContact O-N 2.88Å; K94-L99 HydrophobicContact CB-CD2 3.63Å; K94-L99 HydrophobicContact CG-CD2 3.77Å; K94-R125 PolarHBondContact O-NH1 3.46Å
95T95.4Very high96.6Very high6 Ų634 Ų344%0.03717%0.169CC..  trans-108.2-167.3172.3770000109.7L26 Y98 L124 R125 N129L26-T95 WeakPolarHBondContact CD1-O 3.45Å; T95-Y98 PolarHBondContact N-O 2.79Å; T95-Y98 WeakPolarHBondContact OG1-CA 3.38Å; T95-Y98 WeakPolarHBondContact OG1-CB 3.45Å; T95-Y98 PolarHBondContact OG1-N 2.86Å; T95-Y98 PolarHBondContact OG1-O 2.84Å; T95-Y98 VanDerWaalsContact OG1-O 3.1Å; T95-L124 HydrophobicContact CG2-CB 3.84Å; T95-L124 HydrophobicContact CG2-CD1 4.16Å; T95-R125 HydrophobicContact CG2-CG 4.27Å; T95-N129 WeakPolarHBondContact CB-O 3.47Å; T95-N129 WeakPolarHBondContact CB-OXT 3.37Å; T95-N129 PolarHBondContact OG1-O 3.43Å; T95-N129 PolarHBondContact OG1-OXT 3.34Å
96H92.9Very high96.6Very high110 Ų11034.7 Ų34.751%0.50918%0.183SC..SBendtrans-71.9-39178-61.4-66.6000112.3N129H96-N129 WeakPolarHBondContact CB-O 3.42Å; H96-N129 PolarHBondContact CD2-O 2.99Å; H96-N129 VanDerWaalsContact CD2-O 3.23Å; H96-N129 PolarHBondContact N-O 3.18Å; H96-N129 PolarHBondContact N-OXT 3.23Å
97L93.4Very high96.6Very high64 Ų6430.3 Ų30.334%0.33518%0.184SC..SBendtrans-112.8-21.5-174.5-55.6-179.7000113K25 L26 N129K25-L97 WeakPolarHBondContact CA-O 3.13Å; L26-L97 PolarHBondContact N-O 2.94Å; L97-N129 WeakPolarHBondContact CA-OXT 3.5Å; L97-N129 VanDerWaalsContact CB-OXT 3.25Å; L97-N129 WeakPolarHBondContact CB-OXT 3.46Å; L97-N129 HydrophobicContact CD1-CB 4.43Å; L97-N129 PolarHBondContact N-OXT 3.44Å
98Y95.1Very high96.8Very high23 Ų2326.8 Ų26.89%0.0916%0.164CC..EExtended strand (participates in β ladder)trans-126.9154.9-170.6-55.3-78.8000114.2L23 I24 K25 C32 T95 N129L23-Y98 HydrophobicContact CB-CD1 4.47Å; L23-Y98 HydrophobicContact CD2-CG 4.18Å; I24-Y98 CarbonylContact O-C 3.24Å; I24-Y98 WeakPolarHBondContact O-CA 3.37Å; K25-Y98 HydrophobicContact CG-CD1 3.93Å; K25-Y98 HydrophobicContact CG-CE1 3.61Å; C32-Y98 HydrophobicContact CB-CE1 4.48Å; T95-Y98 PolarHBondContact N-O 2.79Å; T95-Y98 WeakPolarHBondContact OG1-CA 3.38Å; T95-Y98 WeakPolarHBondContact OG1-CB 3.45Å; T95-Y98 PolarHBondContact OG1-N 2.86Å; T95-Y98 PolarHBondContact OG1-O 2.84Å; T95-Y98 VanDerWaalsContact OG1-O 3.1Å; Y98-N129 HydrophobicContact CD2-CB 4.06Å; Y98-N129 WeakPolarHBondContact CD2-OXT 2.97Å; Y98-N129 HydrophobicContact CE2-CB 3.89Å
99L96Very high96.8Very high0 Ų032.3 Ų32.30%018%0.182CC..EExtended strand (participates in β ladder)trans-102.2121.2152.1-63.3179.6000108.1L23 I24 L26 L48 V49 F52 V92 K94L23-L99 WeakPolarHBondContact CA-O 3.36Å; I24-L99 HydrophobicContact CB-CB 4.23Å; I24-L99 PolarHBondContact N-O 3.21Å; I24-L99 PolarHBondContact O-N 2.84Å; L26-L99 HydrophobicContact CD2-CD1 4.04Å; L26-L99 HydrophobicContact CD2-CD2 3.66Å; L26-L99 HydrophobicContact CD2-CG 3.54Å; L26-L99 HydrophobicContact CG-CD2 4.3Å; L26-L99 HydrophobicContact CG-CG 4.07Å; L48-L99 HydrophobicContact CB-CD1 4.32Å; V49-L99 HydrophobicContact CB-CD1 4.38Å; V49-L99 HydrophobicContact CG2-CD1 3.8Å; F52-L99 HydrophobicContact CD2-CD1 4.14Å; F52-L99 HydrophobicContact CD2-CD2 3.69Å; F52-L99 HydrophobicContact CE2-CD1 4.46Å; F52-L99 HydrophobicContact CE2-CD2 3.8Å; F52-L99 HydrophobicContact CG-CD2 4.33Å; F52-L99 HydrophobicContact CZ-CD2 4.49Å; V92-L99 HydrophobicContact CG1-CB 4.22Å; V92-L99 HydrophobicContact CG1-CD2 4.5Å; K94-L99 HydrophobicContact CB-CD2 3.63Å; K94-L99 HydrophobicContact CG-CD2 3.77Å
100L97.3Very high96.8Very high0 Ų035.1 Ų35.10%020%0.201CC..EExtended strand (participates in β ladder)trans-89.4121.7169.4-179.966.6000108.6L8 L12 L23 V92 V93 T117 L120L8-L100 HydrophobicContact CD1-CD1 3.4Å; L8-L100 VanDerWaalsContact CD1-CD1 3.4Å; L12-L100 HydrophobicContact CD1-CD1 3.96Å; L12-L100 HydrophobicContact CD1-CD2 4.48Å; L12-L100 HydrophobicContact CD1-CG 4.44Å; L23-L100 HydrophobicContact CD2-CB 4.13Å; L23-L100 HydrophobicContact CD2-CD1 3.68Å; L23-L100 HydrophobicContact CG-CD1 4.05Å; V92-L100 CarbonylContact C-O 3.51Å; V92-L100 VanDerWaalsContact CA-O 3.25Å; V92-L100 WeakPolarHBondContact CA-O 3.39Å; V93-L100 HydrophobicContact CB-CB 4.45Å; V93-L100 PolarHBondContact N-O 2.96Å; V93-L100 PolarHBondContact O-N 3.26Å; L100-T117 HydrophobicContact CD2-CG2 3.55Å; L100-T117 VanDerWaalsContact CD2-O 3.26Å; L100-T117 WeakPolarHBondContact CD2-O 3.39Å; L100-T117 HydrophobicContact CG-CG2 3.82Å; L100-L120 HydrophobicContact CD1-CD2 3.81Å; L100-L120 HydrophobicContact CD2-CB 3.81Å; L100-L120 HydrophobicContact CD2-CD2 3.67Å; L100-L120 HydrophobicContact CD2-CG 3.79Å; L100-L120 HydrophobicContact CG-CD2 4.4Å
101V98Very high96.7Very high0 Ų039 Ų390%023%0.228CC..EExtended strand (participates in β ladder)trans-114.4131.4179.8-174.50000107.9A21 A22 I24 F38 L48 F66 V90 I91 V92A21-V101 CarbonylContact C-O 3.55Å; A21-V101 WeakPolarHBondContact CA-O 3.23Å; A21-V101 WeakPolarHBondContact CB-O 3.36Å; A22-V101 HydrophobicContact CB-CB 4.42Å; A22-V101 PolarHBondContact N-O 3.49Å; A22-V101 PolarHBondContact O-N 3Å; I24-V101 HydrophobicContact CD1-CG2 3.9Å; F38-V101 HydrophobicContact CZ-CG1 4.3Å; L48-V101 HydrophobicContact CD1-CG1 4.42Å; L48-V101 HydrophobicContact CD1-CG2 3.72Å; F66-V101 HydrophobicContact CZ-CG1 4.16Å; V90-V101 HydrophobicContact CG2-CG1 3.94Å; I91-V101 CarbonylContact O-C 3.43Å; I91-V101 WeakPolarHBondContact O-CA 3.28Å; V92-V101 HydrophobicContact CG1-CG2 4.09Å; V92-V101 HydrophobicContact CG2-CG1 4.49Å
102A98.3Very high96.7Very high0 Ų040.9 Ų40.90%024%0.239CC..EExtended strand (participates in β ladder)trans-136.1139.1173.200000110L12 V18 G20 V90 I91 T117L12-A102 HydrophobicContact CD1-CB 4.23Å; V18-A102 HydrophobicContact CG1-CB 4.06Å; G20-A102 CarbonylContact O-C 3.59Å; G20-A102 WeakPolarHBondContact O-CA 3.42Å; V90-A102 CarbonylContact C-O 3.52Å; V90-A102 WeakPolarHBondContact CA-O 3.2Å; I91-A102 PolarHBondContact N-O 2.86Å; I91-A102 PolarHBondContact O-N 2.98Å; A102-T117 HydrophobicContact CB-CG2 3.99Å; A102-T117 WeakPolarHBondContact CB-OG1 3.45Å
103T98.3Very high96.8Very high6 Ų640.9 Ų40.94%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-114.6154174.357.30000111.3V18 D19 G20 F38 F66 G89 V90V18-T103 CarbonylContact C-O 3.53Å; V18-T103 WeakPolarHBondContact CA-O 3.21Å; D19-T103 PolarHBondContact N-O 2.83Å; G20-T103 PolarHBondContact N-OG1 3.46Å; G20-T103 PolarHBondContact O-N 2.83Å; G20-T103 PolarHBondContact O-OG1 2.82Å; F38-T103 HydrophobicContact CE2-CG2 3.82Å; F38-T103 HydrophobicContact CZ-CG2 4.01Å; F66-T103 HydrophobicContact CE1-CG2 4Å; G89-T103 CarbonylContact O-C 3.58Å; G89-T103 WeakPolarHBondContact O-CA 3.35Å; G89-T103 WeakPolarHBondContact O-CB 3.49Å; V90-T103 HydrophobicContact CB-CG2 4.2Å; V90-T103 HydrophobicContact CG2-CG2 4.17Å
104Y98.2Very high96.8Very high22 Ų2242.5 Ų42.59%0.08625%0.249CC..EExtended strand (participates in β ladder)trans-132156168.762-95.8000109.8T88 G89 I91 P110 C113T88-Y104 VanDerWaalsContact CA-O 3.32Å; T88-Y104 WeakPolarHBondContact CA-O 3.22Å; G89-Y104 VanDerWaalsContact CA-CZ 3.41Å; G89-Y104 VanDerWaalsContact N-CE2 3.33Å; G89-Y104 PolarHBondContact N-O 3.39Å; G89-Y104 PolarHBondContact O-N 3.24Å; I91-Y104 HydrophobicContact CD1-CE1 4.06Å; I91-Y104 HydrophobicContact CG1-CD1 4.47Å; I91-Y104 HydrophobicContact CG1-CE1 4.29Å; Y104-P110 HydrophobicContact CD2-CB 4.42Å; Y104-P110 HydrophobicContact CD2-CG 4.1Å; Y104-P110 HydrophobicContact CE1-CB 3.99Å; Y104-P110 HydrophobicContact CE2-CB 3.91Å; Y104-P110 HydrophobicContact CE2-CG 3.62Å; Y104-C113 HydrophobicContact CD1-CB 3.84Å; Y104-C113 HydrophobicContact CG-CB 4.34Å
105T97.6Very high96.9Very high45 Ų4544.3 Ų44.328%0.27626%0.258SS..  trans-125.4179.4-178.857.30000111.4D19 N87 T88 G107 M108D19-T105 HydrophobicContact CB-CG2 3.82Å; N87-T105 CarbonylContact O-C 3.59Å; N87-T105 VanDerWaalsContact O-C 3.24Å; T88-T105 HydrophobicContact CG2-CG2 4.49Å; T105-G107 PolarHBondContact O-N 2.89Å; T105-M108 WeakPolarHBondContact O-CB 3.27Å; T105-M108 PolarHBondContact O-N 3.35Å; T105-M108 VanDerWaalsContact O-N 3.12Å
106A96.1Very high97.1Very high68 Ų6844.8 Ų44.856%0.56226%0.263SS*.THydrogen-bonded Turntrans-57.7134-179.800000111.2N87N87-A106 HydrophobicContact CB-CB 3.89Å; N87-A106 PolarHBondContact O-N 3.23Å
107G95.6Very high97.3Very high80 Ų8039.5 Ų39.583%0.82524%0.238SC*.THydrogen-bonded Turntrans90.7-7.9-17600000114.8T105T105-G107 PolarHBondContact O-N 2.89Å
108M97.6Very high97.5Very high43 Ų4338.1 Ų38.121%0.21223%0.23CC..SBendtrans-92.1157.5169.9-61.7-176.4172.700111.5H17 D19 T105 P110H17-M108 HydrophobicContact CB-CB 4.41Å; D19-M108 HydrophobicContact CB-CE 3.98Å; D19-M108 HydrophobicContact CB-SD 4.06Å; T105-M108 WeakPolarHBondContact O-CB 3.27Å; T105-M108 PolarHBondContact O-N 3.35Å; T105-M108 VanDerWaalsContact O-N 3.12Å; M108-P110 WeakPolarHBondContact O-CD 3.36Å
109Y97.7Very high97.7Very high146 Ų14642.8 Ų42.857%0.57325%0.251SS*.  trans-90.8114.7174.6-64.7-62.9000110.7H17 S111 V112 C113H17-Y109 AromaticContact CE1-CD2 3.21Å; H17-Y109 WeakPolarHBondContact CE1-CD2 3.49Å; H17-Y109 AromaticContact CE1-CE2 3.67Å; H17-Y109 AromaticContact ND1-CD2 3.69Å; H17-Y109 PolarHBondContact ND1-N 2.78Å; H17-Y109 AromaticContact NE2-CD2 3.57Å; Y109-S111 PolarHBondContact O-N 3.46Å; Y109-V112 PolarHBondContact O-N 2.97Å; Y109-V112 VanDerWaalsContact O-N 3.15Å; Y109-C113 PolarHBondContact O-N 3.21Å
110P97.7Very high97.7Very high59 Ų5943.2 Ų43.238%0.38325%0.253SS..Hα-helixtrans-58.9-34.7179.1-2635.8000113Y104 M108 V112 C113 V114Y104-P110 HydrophobicContact CD2-CB 4.42Å; Y104-P110 HydrophobicContact CD2-CG 4.1Å; Y104-P110 HydrophobicContact CE1-CB 3.99Å; Y104-P110 HydrophobicContact CE2-CB 3.91Å; Y104-P110 HydrophobicContact CE2-CG 3.62Å; M108-P110 WeakPolarHBondContact O-CD 3.36Å; P110-V112 PolarHBondContact O-N 3.49Å; P110-C113 PolarHBondContact O-N 3.15Å; P110-V114 VanDerWaalsContact O-CG2 3.32Å; P110-V114 WeakPolarHBondContact O-CG2 3.31Å; P110-V114 PolarHBondContact O-N 3.38Å
111S97.4Very high97.7Very high81 Ų8143.2 Ų43.257%0.56625%0.253SS*.Hα-helixtrans-61.1-41.9177.749.30000112.4Y109 V114 E115Y109-S111 PolarHBondContact O-N 3.46Å; S111-V114 PolarHBondContact O-N 3.18Å; S111-E115 WeakPolarHBondContact O-CB 3.23Å; S111-E115 PolarHBondContact O-N 3.01Å
112V98.1Very high97.6Very high42 Ų4247.4 Ų47.426%0.25527%0.273SS..Hα-helixtrans-68.5-41.5178.5-178.50000110.7H17 Y109 P110 E115 A116H17-V112 HydrophobicContact CB-CB 3.86Å; H17-V112 HydrophobicContact CB-CG1 3.82Å; Y109-V112 PolarHBondContact O-N 2.97Å; Y109-V112 VanDerWaalsContact O-N 3.15Å; P110-V112 PolarHBondContact O-N 3.49Å; V112-E115 PolarHBondContact O-N 2.84Å; V112-A116 VanDerWaalsContact O-CB 3.31Å; V112-A116 WeakPolarHBondContact O-CB 3.46Å; V112-A116 PolarHBondContact O-N 3.2Å
113C98.3Very high97.4Very high0 Ų052 Ų520%029%0.291CS..Hα-helixtrans-59.1-47.3174.4-175.20000111.4H17 V18 Y104 Y109 P110 T117H17-C113 WeakPolarHBondContact O-CB 3.41Å; V18-C113 HydrophobicContact CG2-CB 4.38Å; Y104-C113 HydrophobicContact CD1-CB 3.84Å; Y104-C113 HydrophobicContact CG-CB 4.34Å; Y109-C113 PolarHBondContact O-N 3.21Å; P110-C113 PolarHBondContact O-N 3.15Å; C113-T117 VanDerWaalsContact O-CB 3.32Å; C113-T117 WeakPolarHBondContact O-CB 3.48Å; C113-T117 PolarHBondContact O-N 3.27Å; C113-T117 PolarHBondContact O-OG1 3.33Å
114V98.3Very high97.2Very high34 Ų3451.8 Ų51.821%0.20629%0.289CS..Hα-helixtrans-58.8-52.6175.5170.10000111Y82 I91 P110 S111 A116 T117 E118Y82-V114 HydrophobicContact CD2-CG2 4.46Å; Y82-V114 HydrophobicContact CE2-CG1 3.95Å; Y82-V114 HydrophobicContact CE2-CG2 4.37Å; I91-V114 HydrophobicContact CD1-CG2 3.46Å; I91-V114 VanDerWaalsContact CD1-CG2 3.46Å; I91-V114 HydrophobicContact CG1-CG2 3.87Å; P110-V114 VanDerWaalsContact O-CG2 3.32Å; P110-V114 WeakPolarHBondContact O-CG2 3.31Å; P110-V114 PolarHBondContact O-N 3.38Å; S111-V114 PolarHBondContact O-N 3.18Å; V114-A116 PolarHBondContact O-N 3Å; V114-T117 PolarHBondContact O-N 3.11Å; V114-E118 HydrophobicContact CG1-CG 4.27Å; V114-E118 WeakPolarHBondContact O-CB 3.45Å; V114-E118 WeakPolarHBondContact O-CG 3.32Å; V114-E118 PolarHBondContact O-N 3.12Å
115E98.3Very high97Very high102 Ų10253.2 Ų53.248%0.47730%0.295SS..Hα-helixtrans-60.7-45.6-176.4-175.6179.8171.200112.1S111 V112 K119S111-E115 WeakPolarHBondContact O-CB 3.23Å; S111-E115 PolarHBondContact O-N 3.01Å; V112-E115 PolarHBondContact O-N 2.84Å; E115-K119 HydrophobicContact CG-CD 4.16Å; E115-K119 WeakPolarHBondContact O-CB 3.39Å; E115-K119 VanDerWaalsContact O-CG 3.3Å; E115-K119 WeakPolarHBondContact O-CG 3.24Å; E115-K119 PolarHBondContact O-N 3.21Å; E115-K119 WeakPolarHBondContact OE1-CE 3.21Å; E115-K119 IonicContact OE1-NZ 2.76Å; E115-K119 PolarHBondContact OE1-NZ 3.06Å
116A98.2Very high96.9Very high15 Ų1558.7 Ų58.712%0.12432%0.315CS..Hα-helixtrans-64.4-43.5179.400000111.9L12 T15 V112 V114 L120L12-A116 HydrophobicContact CD2-CB 3.89Å; T15-A116 HydrophobicContact CG2-CB 3.81Å; V112-A116 VanDerWaalsContact O-CB 3.31Å; V112-A116 WeakPolarHBondContact O-CB 3.46Å; V112-A116 PolarHBondContact O-N 3.2Å; V114-A116 PolarHBondContact O-N 3Å; A116-L120 PolarHBondContact O-N 2.81Å
117T98.3Very high96.5Very high0 Ų061.8 Ų61.80%032%0.316CS..Hα-helixtrans-66.3-43.8179.9-500000111.3I91 V93 L100 A102 C113 V114 L120 G121I91-T117 HydrophobicContact CB-CG2 4.36Å; I91-T117 HydrophobicContact CG2-CG2 3.83Å; V93-T117 HydrophobicContact CB-CG2 4.33Å; V93-T117 HydrophobicContact CG2-CG2 3.7Å; L100-T117 HydrophobicContact CD2-CG2 3.55Å; L100-T117 VanDerWaalsContact CD2-O 3.26Å; L100-T117 WeakPolarHBondContact CD2-O 3.39Å; L100-T117 HydrophobicContact CG-CG2 3.82Å; A102-T117 HydrophobicContact CB-CG2 3.99Å; A102-T117 WeakPolarHBondContact CB-OG1 3.45Å; C113-T117 VanDerWaalsContact O-CB 3.32Å; C113-T117 WeakPolarHBondContact O-CB 3.48Å; C113-T117 PolarHBondContact O-N 3.27Å; C113-T117 PolarHBondContact O-OG1 3.33Å; V114-T117 PolarHBondContact O-N 3.11Å; T117-L120 PolarHBondContact O-N 2.99Å; T117-G121 PolarHBondContact O-N 2.8Å
118E98.1Very high95.6Very high35 Ų3560.3 Ų60.316%0.16430%0.3CS..Hα-helixtrans-65.9-43.3177.8-73.2-68.5176.900112.3S80 Y82 V93 V114 L120 G121 E122 R125S80-E118 VanDerWaalsContact CB-OE1 3.3Å; S80-E118 WeakPolarHBondContact CB-OE1 3.38Å; S80-E118 PolarHBondContact OG-OE1 2.8Å; Y82-E118 WeakPolarHBondContact CE1-OE1 3.42Å; Y82-E118 PolarHBondContact OH-OE1 3.12Å; V93-E118 HydrophobicContact CG2-CG 4.21Å; V114-E118 HydrophobicContact CG1-CG 4.27Å; V114-E118 WeakPolarHBondContact O-CB 3.45Å; V114-E118 WeakPolarHBondContact O-CG 3.32Å; V114-E118 PolarHBondContact O-N 3.12Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.42Å; E118-G121 PolarHBondContact O-N 3.26Å; E118-E122 WeakPolarHBondContact O-CB 3.4Å; E118-E122 PolarHBondContact O-N 2.85Å; E118-R125 IonicContact OE2-NH2 2.73Å
119K97.6Very high93.9Very high120 Ų12060.5 Ų60.552%0.52230%0.302SS..Hα-helixtrans-60.4-43.3176.2-77.8179.5-177.4174.60111.9E115 E122 Y123E115-K119 HydrophobicContact CG-CD 4.16Å; E115-K119 WeakPolarHBondContact O-CB 3.39Å; E115-K119 VanDerWaalsContact O-CG 3.3Å; E115-K119 WeakPolarHBondContact O-CG 3.24Å; E115-K119 PolarHBondContact O-N 3.21Å; E115-K119 WeakPolarHBondContact OE1-CE 3.21Å; E115-K119 IonicContact OE1-NZ 2.76Å; E115-K119 PolarHBondContact OE1-NZ 3.06Å; K119-E122 PolarHBondContact O-N 3.33Å; K119-Y123 WeakPolarHBondContact O-CB 3.2Å; K119-Y123 PolarHBondContact O-N 2.94Å
120L96.7Very high93.7Very high9 Ų956.2 Ų56.25%0.04729%0.288CS..Hα-helixtrans-66.2-43.1176.1178.960.7000111.3L7 L8 T11 L12 L100 A116 T117 E118 E122 Y123 L124L7-L120 HydrophobicContact CD1-CD1 4.27Å; L7-L120 HydrophobicContact CD2-CD1 3.95Å; L7-L120 HydrophobicContact CG-CD1 3.87Å; L8-L120 HydrophobicContact CD1-CD2 4.23Å; T11-L120 WeakPolarHBondContact OG1-CD2 3.41Å; L12-L120 HydrophobicContact CD1-CD2 4.11Å; L12-L120 HydrophobicContact CD2-CB 4.45Å; L12-L120 HydrophobicContact CD2-CD2 4.21Å; L12-L120 HydrophobicContact CG-CD2 3.97Å; L100-L120 HydrophobicContact CD1-CD2 3.81Å; L100-L120 HydrophobicContact CD2-CB 3.81Å; L100-L120 HydrophobicContact CD2-CD2 3.67Å; L100-L120 HydrophobicContact CD2-CG 3.79Å; L100-L120 HydrophobicContact CG-CD2 4.4Å; A116-L120 PolarHBondContact O-N 2.81Å; T117-L120 PolarHBondContact O-N 2.99Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.42Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.44Å; L120-Y123 HydrophobicContact CD1-CD1 4.28Å; L120-Y123 WeakPolarHBondContact O-CB 3.37Å; L120-Y123 PolarHBondContact O-N 3.19Å; L120-L124 HydrophobicContact CD1-CG 4.36Å; L120-L124 HydrophobicContact CG-CD1 4.29Å; L120-L124 WeakPolarHBondContact O-CG 3.25Å; L120-L124 PolarHBondContact O-N 3.2Å
121G96.9Very high93.5Very high0 Ų056.1 Ų56.10%028%0.283CS..Hα-helixtrans-60.2-42.2175.900000112.7T117 E118 L124 R125T117-G121 PolarHBondContact O-N 2.8Å; E118-G121 PolarHBondContact O-N 3.26Å; G121-L124 PolarHBondContact O-N 2.83Å; G121-R125 WeakPolarHBondContact O-CG 3.38Å; G121-R125 PolarHBondContact O-N 3.07Å
122E96.4Very high93.3Very high89 Ų8954.7 Ų54.742%0.41627%0.268SS..Hα-helixtrans-63.9-43.6174.3-168.1-170161.100112.3E118 K119 L120 L124 R125 K126E118-E122 WeakPolarHBondContact O-CB 3.4Å; E118-E122 PolarHBondContact O-N 2.85Å; K119-E122 PolarHBondContact O-N 3.33Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.44Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 2.95Å; E122-K126 HydrophobicContact CG-CD 4.37Å; E122-K126 WeakPolarHBondContact O-CG 3.5Å; E122-K126 PolarHBondContact O-N 3.41Å; E122-K126 VanDerWaalsContact OE1-CE 3.24Å; E122-K126 WeakPolarHBondContact OE1-CE 3.48Å; E122-K126 IonicContact OE1-NZ 3.16Å; E122-K126 PolarHBondContact OE1-NZ 2.8Å
123Y95.1Very high93Very high95 Ų9555.4 Ų55.437%0.37327%0.268SS..Hα-helixtrans-58.4-45.1174.9171-97.7000111.9L7 K119 L120 K126 K127L7-Y123 HydrophobicContact CD1-CE1 4.44Å; L7-Y123 HydrophobicContact CD2-CD1 4.33Å; L7-Y123 HydrophobicContact CD2-CE1 3.9Å; K119-Y123 WeakPolarHBondContact O-CB 3.2Å; K119-Y123 PolarHBondContact O-N 2.94Å; L120-Y123 HydrophobicContact CD1-CD1 4.28Å; L120-Y123 WeakPolarHBondContact O-CB 3.37Å; L120-Y123 PolarHBondContact O-N 3.19Å; Y123-K126 PolarHBondContact O-N 3.08Å; Y123-K127 HydrophobicContact CE1-CG 4.17Å; Y123-K127 HydrophobicContact CE2-CG 4.09Å; Y123-K127 WeakPolarHBondContact O-CG 3.23Å; Y123-K127 PolarHBondContact O-N 3.34Å; Y123-K127 VanDerWaalsContact O-N 3.07Å; Y123-K127 WeakPolarHBondContact OH-CE 3.2Å
124L93.8Very high92.6Very high2 Ų258.9 Ų58.91%0.0129%0.285CS..Hα-helixtrans-62.3-46.5177.2-71.1173.8000111.2L7 L23 T95 L120 G121 E122 K126 K127 G128 N129L7-L124 HydrophobicContact CD2-CD2 4.26Å; L23-L124 HydrophobicContact CD2-CD1 4.03Å; T95-L124 HydrophobicContact CG2-CB 3.84Å; T95-L124 HydrophobicContact CG2-CD1 4.16Å; L120-L124 HydrophobicContact CD1-CG 4.36Å; L120-L124 HydrophobicContact CG-CD1 4.29Å; L120-L124 WeakPolarHBondContact O-CG 3.25Å; L120-L124 PolarHBondContact O-N 3.2Å; G121-L124 PolarHBondContact O-N 2.83Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.49Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.75Å; L124-K127 PolarHBondContact O-N 2.89Å; L124-G128 PolarHBondContact O-N 3Å; L124-N129 CarbonylContact C-O 3.46Å; L124-N129 HydrophobicContact CB-CB 4.13Å; L124-N129 HydrophobicContact CD2-CB 4.18Å; L124-N129 WeakPolarHBondContact O-CA 3.44Å; L124-N129 WeakPolarHBondContact O-CB 3.39Å; L124-N129 PolarHBondContact O-N 3.46Å
125R94.4Very high92.3Very high52 Ų5260.5 Ų60.520%0.19629%0.291CS..Hα-helixtrans-55.9-46.9175.4-74.3-176.8-71.6-124.44.5112.1K94 T95 E118 G121 E122 K127 G128 N129K94-R125 PolarHBondContact O-NH1 3.46Å; T95-R125 HydrophobicContact CG2-CG 4.27Å; E118-R125 IonicContact OE2-NH2 2.73Å; G121-R125 WeakPolarHBondContact O-CG 3.38Å; G121-R125 PolarHBondContact O-N 3.07Å; E122-R125 PolarHBondContact O-N 2.95Å; R125-K127 VanDerWaalsContact C-N 3.26Å; R125-K127 PolarHBondContact O-N 3.2Å; R125-G128 PolarHBondContact O-N 2.83Å; R125-N129 WeakPolarHBondContact CA-O 3.45Å
126K93.5Very high91.8Very high160 Ų16057.6 Ų57.670%0.69628%0.277SS*.Hα-helixtrans-62.5-29.9177.6-76.9173.4169.31680113.5E122 Y123 L124 G128E122-K126 HydrophobicContact CG-CD 4.37Å; E122-K126 WeakPolarHBondContact O-CG 3.5Å; E122-K126 PolarHBondContact O-N 3.41Å; E122-K126 VanDerWaalsContact OE1-CE 3.24Å; E122-K126 WeakPolarHBondContact OE1-CE 3.48Å; E122-K126 IonicContact OE1-NZ 3.16Å; E122-K126 PolarHBondContact OE1-NZ 2.8Å; Y123-K126 PolarHBondContact O-N 3.08Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.75Å; K126-G128 VanDerWaalsContact C-N 3.26Å; K126-G128 PolarHBondContact O-N 2.76Å
127K88.9Confident91.3Very high134 Ų13460.8 Ų60.858%0.58329%0.289SS*.THydrogen-bonded Turntrans-81.80.9176.4-77.3-82.2-179.7172.60113.6Y123 L124 R125Y123-K127 HydrophobicContact CE1-CG 4.17Å; Y123-K127 HydrophobicContact CE2-CG 4.09Å; Y123-K127 WeakPolarHBondContact O-CG 3.23Å; Y123-K127 PolarHBondContact O-N 3.34Å; Y123-K127 VanDerWaalsContact O-N 3.07Å; Y123-K127 WeakPolarHBondContact OH-CE 3.2Å; L124-K127 PolarHBondContact O-N 2.89Å; R125-K127 VanDerWaalsContact C-N 3.26Å; R125-K127 PolarHBondContact O-N 3.2Å
128G75.6Confident90.8Very high49 Ų4965.9 Ų65.951%0.50531%0.313SS..THydrogen-bonded Turntrans81.116.7-175.800000113.8L124 R125 K126L124-G128 PolarHBondContact O-N 3Å; R125-G128 PolarHBondContact O-N 2.83Å; K126-G128 VanDerWaalsContact C-N 3.26Å; K126-G128 PolarHBondContact O-N 2.76Å
129N62.3Low90.1Very high46 Ų4668.7 Ų68.725%0.24633%0.327CS..  trans-105.30177.7-66.8-53.6000112.7T95 H96 L97 Y98 L124 R125T95-N129 WeakPolarHBondContact CB-O 3.47Å; T95-N129 WeakPolarHBondContact CB-OXT 3.37Å; T95-N129 PolarHBondContact OG1-O 3.43Å; T95-N129 PolarHBondContact OG1-OXT 3.34Å; H96-N129 WeakPolarHBondContact CB-O 3.42Å; H96-N129 PolarHBondContact CD2-O 2.99Å; H96-N129 VanDerWaalsContact CD2-O 3.23Å; H96-N129 PolarHBondContact N-O 3.18Å; H96-N129 PolarHBondContact N-OXT 3.23Å; L97-N129 WeakPolarHBondContact CA-OXT 3.5Å; L97-N129 VanDerWaalsContact CB-OXT 3.25Å; L97-N129 WeakPolarHBondContact CB-OXT 3.46Å; L97-N129 HydrophobicContact CD1-CB 4.43Å; L97-N129 PolarHBondContact N-OXT 3.44Å; Y98-N129 HydrophobicContact CD2-CB 4.06Å; Y98-N129 WeakPolarHBondContact CD2-OXT 2.97Å; Y98-N129 HydrophobicContact CE2-CB 3.89Å; L124-N129 CarbonylContact C-O 3.46Å; L124-N129 HydrophobicContact CB-CB 4.13Å; L124-N129 HydrophobicContact CD2-CB 4.18Å; L124-N129 WeakPolarHBondContact O-CA 3.44Å; L124-N129 WeakPolarHBondContact O-CB 3.39Å; L124-N129 PolarHBondContact O-N 3.46Å; R125-N129 WeakPolarHBondContact CA-O 3.45Å

Retrieved 129 of 129 residues in 47.8 ms (Link to these results)

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