A0A096N267_PAPAN 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 (G7PLR1), UniProt , Accession A0A096N267, Species PAPAN (Papio anubis, Olive baboon), 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
1M53Low84.9Confident179 Ų17975.6 Ų75.688%0.88241%0.405SS*.  0115.70-75.5-77.4-174.400107.8H3 V33M1-H3 PolarHBondContact O-N 2.92Å; M1-V33 HydrophobicContact SD-CB 3.95Å; M1-V33 HydrophobicContact SD-CG2 3.81Å
2S74.5Confident86Confident56 Ų5669.5 Ų69.539%0.39237%0.372SS..  trans-75.4117.4174.3160.70000108.4L4 Q5 S6S2-L4 PolarHBondContact O-N 3.36Å; S2-L4 VanDerWaalsContact O-N 3.13Å; S2-Q5 WeakPolarHBondContact O-CB 3.4Å; S2-Q5 PolarHBondContact O-N 2.96Å; S2-S6 PolarHBondContact O-N 2.93Å
3H83.2Confident86.9Confident141 Ų14167.6 Ų67.665%0.65336%0.361SS*.Hα-helixtrans-51.8-35.2178.8177.359.5000112.4M1 Q5 S6 L7M1-H3 PolarHBondContact O-N 2.92Å; H3-Q5 VanDerWaalsContact C-N 3.34Å; H3-Q5 PolarHBondContact O-N 3.01Å; H3-S6 WeakPolarHBondContact O-CB 3.48Å; H3-S6 PolarHBondContact O-N 3.06Å; H3-L7 PolarHBondContact O-N 2.7Å; H3-L7 VanDerWaalsContact O-N 3.08Å
4L84.4Confident87.6Confident114 Ų11466.9 Ų66.960%0.59738%0.377SS*.Hα-helixtrans-63.4-37.5176.8-175.5138000112.6S2 S6 L7 L8S2-L4 PolarHBondContact O-N 3.36Å; S2-L4 VanDerWaalsContact O-N 3.13Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-L7 PolarHBondContact O-N 2.83Å; L4-L8 HydrophobicContact CD2-CD1 4.02Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 2.9Å; L4-L8 VanDerWaalsContact O-N 3.14Å
5Q85.7Confident88.3Confident25 Ų2565.3 Ų65.312%0.11737%0.37CS..Hα-helixtrans-68.2-36.5177.8-63.2174.8-36.500111.5S2 H3 L8 L9 L23 V33 Y98S2-Q5 WeakPolarHBondContact O-CB 3.4Å; S2-Q5 PolarHBondContact O-N 2.96Å; H3-Q5 VanDerWaalsContact C-N 3.34Å; H3-Q5 PolarHBondContact O-N 3.01Å; Q5-L8 PolarHBondContact O-N 2.95Å; Q5-L9 PolarHBondContact O-N 2.97Å; Q5-L23 HydrophobicContact CG-CD2 4.17Å; Q5-V33 HydrophobicContact CB-CB 4.28Å; Q5-V33 HydrophobicContact CB-CG1 3.52Å; Q5-Y98 PolarHBondContact NE2-OH 2.87Å
6S87.3Confident88.8Confident38 Ų3871.9 Ų71.927%0.26639%0.394SS..Hα-helixtrans-62.6-46173.1-63.30000111.7S2 H3 L4 L8 L9 D10S2-S6 PolarHBondContact O-N 2.93Å; H3-S6 WeakPolarHBondContact O-CB 3.48Å; H3-S6 PolarHBondContact O-N 3.06Å; L4-S6 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 3.28Å; S6-D10 PolarHBondContact O-N 3.39Å
7L89.3Confident89.4Confident84 Ų8470.3 Ų70.344%0.4438%0.382SS..Hα-helixtrans-58.5-36.1176.8-70.9172.4000112.7H3 L4 D10 T11H3-L7 PolarHBondContact O-N 2.7Å; H3-L7 VanDerWaalsContact O-N 3.08Å; L4-L7 PolarHBondContact O-N 2.83Å; L7-D10 PolarHBondContact O-N 2.89Å; L7-T11 WeakPolarHBondContact O-CG2 3.42Å; L7-T11 PolarHBondContact O-N 2.82Å
8L91.8Very high89.9Confident28 Ų2866.7 Ų66.715%0.14736%0.363CS..Hα-helixtrans-63.2-42.4175.2-66.6168.5000111.4L4 Q5 S6 D10 T11 L120 L124L4-L8 HydrophobicContact CD2-CD1 4.02Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 2.9Å; L4-L8 VanDerWaalsContact O-N 3.14Å; Q5-L8 PolarHBondContact O-N 2.95Å; S6-L8 PolarHBondContact O-N 3.36Å; L8-D10 VanDerWaalsContact C-N 3.33Å; L8-T11 PolarHBondContact O-N 3.3Å; L8-T11 PolarHBondContact O-OG1 2.88Å; L8-L120 HydrophobicContact CB-CD2 4.33Å; L8-L120 HydrophobicContact CD2-CD1 3.81Å; L8-L124 HydrophobicContact CD1-CD2 4.03Å
9L95Very high90.3Very high2 Ų267 Ų671%0.0136%0.364CS..Hα-helixtrans-66.4-36.4176-58.3-171.3000111.7Q5 S6 T11 L12 L13 A21 V33 L100Q5-L9 PolarHBondContact O-N 2.97Å; S6-L9 PolarHBondContact O-N 3.28Å; L9-T11 PolarHBondContact O-N 3.38Å; L9-L12 WeakPolarHBondContact O-CB 3.49Å; L9-L12 PolarHBondContact O-N 3.17Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.36Å; L9-A21 HydrophobicContact CB-CB 4.42Å; L9-A21 HydrophobicContact CD2-CB 3.9Å; L9-V33 HydrophobicContact CD1-CB 4.44Å; L9-V33 HydrophobicContact CD1-CG1 3.83Å; L9-V33 HydrophobicContact CD1-CG2 4.04Å; L9-V33 HydrophobicContact CG-CG1 4.28Å; L9-L100 HydrophobicContact CD2-CD1 4.07Å
10D95Very high90.7Very high81 Ų8164.3 Ų64.343%0.43335%0.351SS..Hα-helixtrans-61-32177.2-64.3-26.5000112S6 L7 L8 L12 L13 G14S6-D10 PolarHBondContact O-N 3.39Å; L7-D10 PolarHBondContact O-N 2.89Å; L8-D10 VanDerWaalsContact C-N 3.33Å; D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 3.25Å; D10-L13 PolarHBondContact O-N 3.07Å; D10-G14 PolarHBondContact O-N 2.97Å
11T95Very high91.1Very high84 Ų8461.2 Ų61.252%0.51533%0.334SS..Hα-helixtrans-63.2-35.7173.470.60000112.7L7 L8 L9L7-T11 WeakPolarHBondContact O-CG2 3.42Å; L7-T11 PolarHBondContact O-N 2.82Å; L8-T11 PolarHBondContact O-N 3.3Å; L8-T11 PolarHBondContact O-OG1 2.88Å; L9-T11 PolarHBondContact O-N 3.38Å
12L97.6Very high93.2Very high2 Ų252.7 Ų52.71%0.0129%0.292CS..Hα-helixtrans-71.2-48.9176.3-64.4-178.8000110.9L9 D10 G14 T15 V18 A21 L100 A102 A116 L120L9-L12 WeakPolarHBondContact O-CB 3.49Å; L9-L12 PolarHBondContact O-N 3.17Å; D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 3.25Å; L12-G14 PolarHBondContact O-N 3.23Å; L12-T15 WeakPolarHBondContact O-CB 3.22Å; L12-T15 WeakPolarHBondContact O-CG2 3.36Å; L12-T15 PolarHBondContact O-N 3.39Å; L12-T15 VanDerWaalsContact O-N 3.15Å; L12-T15 PolarHBondContact O-OG1 2.91Å; L12-V18 HydrophobicContact CB-CB 4.34Å; L12-V18 HydrophobicContact CB-CG1 4.2Å; L12-V18 HydrophobicContact CB-CG2 4.16Å; L12-V18 WeakPolarHBondContact O-CB 3.29Å; L12-A21 HydrophobicContact CD1-CB 3.9Å; L12-L100 HydrophobicContact CD1-CD1 3.89Å; L12-L100 HydrophobicContact CD1-CD2 4.22Å; L12-L100 HydrophobicContact CD1-CG 4.22Å; L12-A102 HydrophobicContact CD1-CB 4.46Å; L12-A116 HydrophobicContact CD2-CB 3.98Å; L12-L120 HydrophobicContact CD1-CD2 3.98Å; L12-L120 HydrophobicContact CD2-CB 4.24Å; L12-L120 HydrophobicContact CD2-CD2 3.92Å; L12-L120 HydrophobicContact CG-CD2 3.77Å
13L97.7Very high94.3Very high45 Ų4550.1 Ų50.124%0.23627%0.274CS..Hα-helixtrans-62-34.4179-60.9174.7000111.8L9 D10 T15 K16 V18L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.36Å; D10-L13 PolarHBondContact O-N 3.07Å; L13-T15 PolarHBondContact O-N 3.26Å; L13-T15 VanDerWaalsContact O-N 3.1Å; L13-K16 PolarHBondContact O-N 3.17Å; L13-V18 HydrophobicContact CD2-CG1 4.21Å
14G97.4Very high95Very high57 Ų5743.4 Ų43.459%0.58824%0.243SC*.THydrogen-bonded Turntrans-59.5-19.9177.100000114.5D10 L12 K16D10-G14 PolarHBondContact O-N 2.97Å; L12-G14 PolarHBondContact O-N 3.23Å; G14-K16 PolarHBondContact O-N 2.77Å
15T97.2Very high95.5Very high44 Ų4440.6 Ų40.627%0.2723%0.226SC..THydrogen-bonded Turntrans-68.5-18.6173.368.60000113.2L12 L13 H17 V18 A116L12-T15 WeakPolarHBondContact O-CB 3.22Å; L12-T15 WeakPolarHBondContact O-CG2 3.36Å; L12-T15 PolarHBondContact O-N 3.39Å; L12-T15 VanDerWaalsContact O-N 3.15Å; L12-T15 PolarHBondContact O-OG1 2.91Å; L13-T15 PolarHBondContact O-N 3.26Å; L13-T15 VanDerWaalsContact O-N 3.1Å; T15-H17 PolarHBondContact O-CD2 2.66Å; T15-H17 PolarHBondContact O-N 2.7Å; T15-H17 VanDerWaalsContact O-N 3.09Å; T15-H17 PolarHBondContact OG1-N 2.58Å; T15-V18 PolarHBondContact OG1-N 2.91Å; T15-A116 HydrophobicContact CG2-CB 3.83Å
16K97.4Very high95.9Very high171 Ų17141.3 Ų41.374%0.74323%0.23SC*.SBendtrans59.211.3-171.5-52.4-179.1-179.6178.70114.5L13 G14L13-K16 PolarHBondContact O-N 3.17Å; G14-K16 PolarHBondContact O-N 2.77Å
17H98.3Very high96.1Very high44 Ų4447.1 Ų47.120%0.20425%0.253CS..SBendtrans-12111.1175.6-64.8-58.9000112.3T15 M108 Y109 V112 C113T15-H17 PolarHBondContact O-CD2 2.66Å; T15-H17 PolarHBondContact O-N 2.7Å; T15-H17 VanDerWaalsContact O-N 3.09Å; T15-H17 PolarHBondContact OG1-N 2.58Å; H17-M108 VanDerWaalsContact C-SD 3.53Å; H17-M108 HydrophobicContact CB-CB 4.46Å; H17-Y109 AromaticContact CE1-CD2 3.23Å; H17-Y109 WeakPolarHBondContact CE1-CD2 3.32Å; H17-Y109 AromaticContact CE1-CE2 3.73Å; H17-Y109 AromaticContact ND1-CD2 3.73Å; H17-Y109 PolarHBondContact ND1-N 2.87Å; H17-Y109 AromaticContact NE2-CD2 3.56Å; H17-V112 HydrophobicContact CB-CB 3.81Å; H17-V112 HydrophobicContact CB-CG1 3.81Å; H17-C113 WeakPolarHBondContact O-CB 3.37Å
18V98.5Very high96.4Very high6 Ų648.6 Ų48.64%0.03626%0.258CS..  trans-118.8121.3166.2179.20000106.8L12 L13 T15 S20 A21 A102 T103 C113L12-V18 HydrophobicContact CB-CB 4.34Å; L12-V18 HydrophobicContact CB-CG1 4.2Å; L12-V18 HydrophobicContact CB-CG2 4.16Å; L12-V18 WeakPolarHBondContact O-CB 3.29Å; L13-V18 HydrophobicContact CD2-CG1 4.21Å; T15-V18 PolarHBondContact OG1-N 2.91Å; V18-S20 WeakPolarHBondContact CG1-O 3.42Å; V18-A21 HydrophobicContact CG1-CB 4.26Å; V18-A102 HydrophobicContact CG1-CB 3.95Å; V18-T103 CarbonylContact C-O 3.59Å; V18-T103 WeakPolarHBondContact CA-O 3.41Å; V18-C113 HydrophobicContact CG2-CB 4.39Å
19D98.2Very high96.5Very high72 Ų7254.5 Ų54.539%0.38528%0.278SS..SBendtrans-78.4-48.6179.3171.879000111.2T103 T105 M108D19-T103 PolarHBondContact N-O 3.16Å; D19-T105 HydrophobicContact CB-CG2 4.08Å; D19-M108 HydrophobicContact CB-CE 3.87Å; D19-M108 HydrophobicContact CB-SD 3.99Å
20S98.3Very high96.6Very high13 Ų1356.1 Ų56.19%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-145.4153.8179.4-65.40000110.5V18 S35 F38 A102 T103V18-S20 WeakPolarHBondContact CG1-O 3.42Å; S20-S35 WeakPolarHBondContact CA-OG 3.02Å; S20-F38 VanDerWaalsContact CB-CG 3.46Å; S20-A102 CarbonylContact O-C 3.57Å; S20-A102 WeakPolarHBondContact O-CA 3.37Å; S20-T103 WeakPolarHBondContact CB-OG1 3.07Å; S20-T103 PolarHBondContact N-OG1 3.48Å; S20-T103 PolarHBondContact O-N 3.19Å; S20-T103 PolarHBondContact O-OG1 3.23Å
21A98.4Very high96.6Very high0 Ų055.4 Ų55.40%029%0.285CS..EExtended strand (participates in β ladder)trans-143.7154.2177.700000112.5L9 L12 V18 A34 S35 F38 V101L9-A21 HydrophobicContact CB-CB 4.42Å; L9-A21 HydrophobicContact CD2-CB 3.9Å; L12-A21 HydrophobicContact CD1-CB 3.9Å; V18-A21 HydrophobicContact CG1-CB 4.26Å; A21-A34 CarbonylContact O-C 3.59Å; A21-A34 WeakPolarHBondContact O-CA 3.37Å; A21-S35 PolarHBondContact N-OG 2.83Å; A21-S35 PolarHBondContact O-N 2.72Å; A21-S35 PolarHBondContact O-OG 3.44Å; A21-F38 WeakPolarHBondContact O-CD1 3.2Å; A21-V101 CarbonylContact C-O 3.57Å; A21-V101 WeakPolarHBondContact CA-O 3.33Å; A21-V101 WeakPolarHBondContact CB-O 3.47Å
22A98.1Very high96.6Very high0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-146.1156174.700000112.1L31 V33 A34 F38 V40 V101A22-L31 HydrophobicContact CB-CD1 3.78Å; A22-V33 WeakPolarHBondContact CA-O 3.3Å; A22-A34 HydrophobicContact CB-CB 4.14Å; A22-F38 HydrophobicContact CB-CD1 3.83Å; A22-F38 HydrophobicContact CB-CE1 3.61Å; A22-V40 HydrophobicContact CB-CG2 4.1Å; A22-V101 HydrophobicContact CB-CB 4.3Å; A22-V101 PolarHBondContact N-O 3.4Å; A22-V101 PolarHBondContact O-N 3.33Å
23L96.9Very high96.5Very high2 Ų252.6 Ų52.61%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-116.2122.7170.8-158.4101.6000108.4Q5 C32 V33 Y98 L100 L124Q5-L23 HydrophobicContact CG-CD2 4.17Å; L23-C32 HydrophobicContact CB-CB 4.36Å; L23-C32 HydrophobicContact CD2-CB 4.03Å; L23-C32 WeakPolarHBondContact O-CB 3.42Å; L23-C32 PolarHBondContact O-N 3.35Å; L23-V33 HydrophobicContact CB-CG1 3.67Å; L23-V33 PolarHBondContact N-O 3.28Å; L23-V33 PolarHBondContact O-N 3.4Å; L23-Y98 HydrophobicContact CD1-CG 4.19Å; L23-Y98 HydrophobicContact CD2-CD1 3.27Å; L23-Y98 HydrophobicContact CD2-CD2 3.96Å; L23-Y98 HydrophobicContact CD2-CE1 3.43Å; L23-Y98 VanDerWaalsContact CD2-CE1 3.43Å; L23-Y98 HydrophobicContact CD2-CE2 4.07Å; L23-Y98 HydrophobicContact CD2-CG 3.56Å; L23-Y98 HydrophobicContact CG-CD1 3.77Å; L23-Y98 HydrophobicContact CG-CD2 4.45Å; L23-Y98 HydrophobicContact CG-CE1 4.42Å; L23-Y98 HydrophobicContact CG-CG 3.8Å; L23-L100 HydrophobicContact CD1-CD1 4.12Å; L23-L124 HydrophobicContact CD1-CD1 4.27Å
24I96.8Very high96.4Very high0 Ų051.6 Ų51.60%027%0.267CS..EExtended strand (participates in β ladder)trans-114.6133.2179.3-67.3168.4000108.5S30 L31 V45 L48 V49 Y98 L99 V101I24-S30 CarbonylContact C-O 3.52Å; I24-S30 WeakPolarHBondContact CA-O 3.05Å; I24-S30 WeakPolarHBondContact CG2-O 3.1Å; I24-L31 HydrophobicContact CG1-CD1 4.07Å; I24-V45 HydrophobicContact CD1-CB 4.41Å; I24-V45 HydrophobicContact CD1-CG1 4.32Å; I24-V45 HydrophobicContact CD1-CG2 3.99Å; I24-V45 HydrophobicContact CG1-CG2 4.26Å; I24-V45 HydrophobicContact CG2-CG1 3.64Å; I24-L48 HydrophobicContact CD1-CB 4.47Å; I24-L48 HydrophobicContact CD1-CD1 3.72Å; I24-V49 HydrophobicContact CG2-CG2 4.11Å; I24-Y98 CarbonylContact O-C 3.33Å; I24-Y98 WeakPolarHBondContact O-CA 3.49Å; I24-L99 HydrophobicContact CB-CB 4.22Å; I24-L99 PolarHBondContact N-O 3.18Å; I24-L99 PolarHBondContact O-N 3.2Å; I24-V101 HydrophobicContact CD1-CG2 3.84Å
25K95.2Very high96.4Very high55 Ų5549.3 Ų49.324%0.23924%0.242CC..EExtended strand (participates in β ladder)trans-82.1124.6174.9-153160.2174.4-165.80110.6E28 R29 S30 Y98K25-E28 HydrophobicContact CB-CB 4.37Å; K25-E28 HydrophobicContact CD-CG 4.32Å; K25-E28 WeakPolarHBondContact CD-OE1 3.23Å; K25-E28 VanDerWaalsContact CE-OE1 3.32Å; K25-E28 WeakPolarHBondContact CE-OE1 3.31Å; K25-E28 IonicContact NZ-OE1 2.66Å; K25-E28 PolarHBondContact NZ-OE1 3.49Å; K25-R29 WeakPolarHBondContact O-CA 3.45Å; K25-R29 PolarHBondContact O-N 3.33Å; K25-S30 PolarHBondContact N-O 3.19Å; K25-S30 PolarHBondContact O-N 3.01Å; K25-Y98 HydrophobicContact CB-CD1 4.31Å; K25-Y98 HydrophobicContact CB-CE1 4.3Å; K25-Y98 HydrophobicContact CD-CE1 4.22Å; K25-Y98 HydrophobicContact CG-CD1 4.27Å; K25-Y98 HydrophobicContact CG-CE1 3.99Å
26I94.1Very high96.2Very high40 Ų4052.9 Ų52.921%0.20527%0.266CS..THydrogen-bonded Turntrans-66.2-49.2-173.4-65.1169.7000111.1R29 K94 T95 L97 Y98 L99I26-R29 PolarHBondContact O-N 3.45Å; I26-K94 HydrophobicContact CD1-CG 3.93Å; I26-T95 WeakPolarHBondContact CD1-O 3.18Å; I26-L97 PolarHBondContact N-O 2.85Å; I26-Y98 WeakPolarHBondContact CD1-O 3.39Å; I26-L99 HydrophobicContact CD1-CD2 4.04Å; I26-L99 HydrophobicContact CG1-CD2 3.99Å; I26-L99 HydrophobicContact CG1-CG 3.98Å
27Q92.8Very high96Very high160 Ų16048.7 Ų48.775%0.74827%0.272SS*.THydrogen-bonded Turntrans-64.6-43.8-175.1-72.6-174.9-10.900112.4
28E94.4Very high95.9Very high115 Ų11547 Ų4754%0.53726%0.264SS..THydrogen-bonded Turntrans-84.1-14.1-177.8-66.9170.7-154.600113K25 S30K25-E28 HydrophobicContact CB-CB 4.37Å; K25-E28 HydrophobicContact CD-CG 4.32Å; K25-E28 WeakPolarHBondContact CD-OE1 3.23Å; K25-E28 VanDerWaalsContact CE-OE1 3.32Å; K25-E28 WeakPolarHBondContact CE-OE1 3.31Å; K25-E28 IonicContact NZ-OE1 2.66Å; K25-E28 PolarHBondContact NZ-OE1 3.49Å; E28-S30 VanDerWaalsContact CB-OG 3.26Å; E28-S30 WeakPolarHBondContact CB-OG 3.42Å; E28-S30 PolarHBondContact O-N 3.34Å; E28-S30 PolarHBondContact OE2-OG 3.42Å; E28-S30 VanDerWaalsContact OE2-OG 3.12Å
29R94.9Very high95.7Very high151 Ų15151.9 Ų51.957%0.5729%0.29SS*.THydrogen-bonded Turntrans51.843.1-173.6-50.8-176.4179.7176.8-0.9111.6K25 I26 V45 V49K25-R29 WeakPolarHBondContact O-CA 3.45Å; K25-R29 PolarHBondContact O-N 3.33Å; I26-R29 PolarHBondContact O-N 3.45Å; R29-V45 VanDerWaalsContact O-CG1 3.23Å; R29-V45 WeakPolarHBondContact O-CG1 3.47Å; R29-V49 HydrophobicContact CG-CG1 4.27Å
30S95.8Very high95.6Very high37 Ų3748.9 Ų48.926%0.25927%0.273SS..EExtended strand (participates in β ladder)trans-126147.9-172.263.80000110.8I24 K25 E28I24-S30 CarbonylContact C-O 3.52Å; I24-S30 WeakPolarHBondContact CA-O 3.05Å; I24-S30 WeakPolarHBondContact CG2-O 3.1Å; K25-S30 PolarHBondContact N-O 3.19Å; K25-S30 PolarHBondContact O-N 3.01Å; E28-S30 VanDerWaalsContact CB-OG 3.26Å; E28-S30 WeakPolarHBondContact CB-OG 3.42Å; E28-S30 PolarHBondContact O-N 3.34Å; E28-S30 PolarHBondContact OE2-OG 3.42Å; E28-S30 VanDerWaalsContact OE2-OG 3.12Å
31L95.8Very high95.5Very high65 Ų6551.8 Ų51.834%0.3429%0.287SS..EExtended strand (participates in β ladder)trans-74.1123.9171.6-177.969.3000109.1A22 I24 A34 V40 V45A22-L31 HydrophobicContact CB-CD1 3.78Å; I24-L31 HydrophobicContact CG1-CD1 4.07Å; L31-A34 HydrophobicContact CD1-CB 4.35Å; L31-A34 HydrophobicContact CD2-CB 4.21Å; L31-V40 HydrophobicContact CD1-CB 4.21Å; L31-V40 HydrophobicContact CD1-CG2 4.34Å; L31-V40 HydrophobicContact CD2-CB 4.27Å; L31-V45 HydrophobicContact CB-CG2 4.4Å
32C94.1Very high95.4Very high26 Ų2655.9 Ų55.918%0.17631%0.313CS..EExtended strand (participates in β ladder)trans-83.9-51.6173.9-66.60000111.7L23L23-C32 HydrophobicContact CB-CB 4.36Å; L23-C32 HydrophobicContact CD2-CB 4.03Å; L23-C32 WeakPolarHBondContact O-CB 3.42Å; L23-C32 PolarHBondContact O-N 3.35Å
33V95.6Very high95.2Very high1 Ų158.6 Ų58.61%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-154.4150.2-177.561.40000109.1M1 Q5 L9 A22 L23M1-V33 HydrophobicContact SD-CB 3.95Å; M1-V33 HydrophobicContact SD-CG2 3.81Å; Q5-V33 HydrophobicContact CB-CB 4.28Å; Q5-V33 HydrophobicContact CB-CG1 3.52Å; L9-V33 HydrophobicContact CD1-CB 4.44Å; L9-V33 HydrophobicContact CD1-CG1 3.83Å; L9-V33 HydrophobicContact CD1-CG2 4.04Å; L9-V33 HydrophobicContact CG-CG1 4.28Å; A22-V33 WeakPolarHBondContact CA-O 3.3Å; L23-V33 HydrophobicContact CB-CG1 3.67Å; L23-V33 PolarHBondContact N-O 3.28Å; L23-V33 PolarHBondContact O-N 3.4Å
34A96.9Very high95.2Very high24 Ų2459 Ų5920%0.19833%0.334CS..EExtended strand (participates in β ladder)trans-135.8154.6170.800000109.3A21 A22 L31 F38A21-A34 CarbonylContact O-C 3.59Å; A21-A34 WeakPolarHBondContact O-CA 3.37Å; A22-A34 HydrophobicContact CB-CB 4.14Å; L31-A34 HydrophobicContact CD1-CB 4.35Å; L31-A34 HydrophobicContact CD2-CB 4.21Å; A34-F38 HydrophobicContact CB-CB 4.29Å; A34-F38 HydrophobicContact CB-CD1 4.08Å; A34-F38 WeakPolarHBondContact CB-O 3.33Å
35S96.6Very high95.2Very high9 Ų959.1 Ų59.16%0.06334%0.335CS..  trans-61.6154.9171.457.70000111S20 A21 G37 F38S20-S35 WeakPolarHBondContact CA-OG 3.02Å; A21-S35 PolarHBondContact N-OG 2.83Å; A21-S35 PolarHBondContact O-N 2.72Å; A21-S35 PolarHBondContact O-OG 3.44Å; S35-G37 PolarHBondContact O-N 2.8Å; S35-F38 WeakPolarHBondContact O-CB 3.44Å; S35-F38 PolarHBondContact O-N 2.87Å; S35-F38 WeakPolarHBondContact OG-CB 3.41Å
36P94Very high95.2Very high120 Ų12062.5 Ų62.578%0.77935%0.346SS*.THydrogen-bonded Turntrans-51.8133.6177-27.235.6000112.1F38P36-F38 PolarHBondContact O-N 2.8Å
37G92.8Very high95.1Very high83 Ų8362.8 Ų62.886%0.85635%0.35SS*.THydrogen-bonded Turntrans77.1-8.7-178.100000115.3S35 N39S35-G37 PolarHBondContact O-N 2.8Å; G37-N39 PolarHBondContact O-N 2.78Å
38F95.9Very high95.2Very high9 Ų955.1 Ų55.14%0.03931%0.314CS..  trans-88.488.8178.3-168.9-131.7000111.9S20 A21 A22 A34 S35 P36 V40 F66 K67 T103S20-F38 VanDerWaalsContact CB-CG 3.46Å; A21-F38 WeakPolarHBondContact O-CD1 3.2Å; A22-F38 HydrophobicContact CB-CD1 3.83Å; A22-F38 HydrophobicContact CB-CE1 3.61Å; A34-F38 HydrophobicContact CB-CB 4.29Å; A34-F38 HydrophobicContact CB-CD1 4.08Å; A34-F38 WeakPolarHBondContact CB-O 3.33Å; S35-F38 WeakPolarHBondContact O-CB 3.44Å; S35-F38 PolarHBondContact O-N 2.87Å; S35-F38 WeakPolarHBondContact OG-CB 3.41Å; P36-F38 PolarHBondContact O-N 2.8Å; F38-V40 HydrophobicContact CD1-CG2 3.56Å; F38-V40 HydrophobicContact CE1-CG2 3.33Å; F38-V40 HydrophobicContact CE2-CG2 4.38Å; F38-V40 HydrophobicContact CG-CG2 4.2Å; F38-V40 HydrophobicContact CZ-CG2 3.79Å; F38-F66 HydrophobicContact CE2-CE1 4.44Å; F38-F66 HydrophobicContact CE2-CZ 4.38Å; F38-F66 HydrophobicContact CZ-CE1 4.1Å; F38-F66 AromaticContact CZ-CZ 3.78Å; F38-F66 HydrophobicContact CZ-CZ 3.78Å; F38-K67 HydrophobicContact CD2-CD 4.28Å; F38-K67 HydrophobicContact CE2-CD 3.56Å; F38-K67 HydrophobicContact CZ-CD 4.31Å; F38-T103 HydrophobicContact CE2-CG2 4.25Å; F38-T103 HydrophobicContact CZ-CG2 4.1Å
39N93.9Very high95.2Very high108 Ų10850.2 Ų50.258%0.57829%0.292SS*.  trans-84.3115.1175.8-162.310.4000110.7G37 M41G37-N39 PolarHBondContact O-N 2.78Å; N39-M41 HydrophobicContact CB-CE 4.36Å; N39-M41 WeakPolarHBondContact ND2-CE 3.46Å; N39-M41 WeakPolarHBondContact OD1-CE 3.36Å
40V95.7Very high95Very high8 Ų845.5 Ų45.55%0.04828%0.278CS..  trans-109.5113.7178.1-173.80000108.5A22 L31 F38 D44 V45 F66A22-V40 HydrophobicContact CB-CG2 4.1Å; L31-V40 HydrophobicContact CD1-CB 4.21Å; L31-V40 HydrophobicContact CD1-CG2 4.34Å; L31-V40 HydrophobicContact CD2-CB 4.27Å; F38-V40 HydrophobicContact CD1-CG2 3.56Å; F38-V40 HydrophobicContact CE1-CG2 3.33Å; F38-V40 HydrophobicContact CE2-CG2 4.38Å; F38-V40 HydrophobicContact CG-CG2 4.2Å; F38-V40 HydrophobicContact CZ-CG2 3.79Å; V40-D44 HydrophobicContact CG1-CB 3.89Å; V40-V45 HydrophobicContact CG1-CG2 3.83Å; V40-F66 HydrophobicContact CG1-CE2 4.22Å
41M96.4Very high94.6Very high75 Ų7544 Ų4437%0.36927%0.269SS..  trans-72.3154.6-177-69.2-64.8102.600111.7N39 S43 D44 V45N39-M41 HydrophobicContact CB-CE 4.36Å; N39-M41 WeakPolarHBondContact ND2-CE 3.46Å; N39-M41 WeakPolarHBondContact OD1-CE 3.36Å; M41-S43 WeakPolarHBondContact CB-OG 3.32Å; M41-S43 PolarHBondContact O-N 2.98Å; M41-S43 VanDerWaalsContact O-N 3.15Å; M41-D44 WeakPolarHBondContact CB-OD2 3.23Å; M41-D44 PolarHBondContact N-OD2 2.84Å; M41-D44 WeakPolarHBondContact O-CB 3.37Å; M41-D44 PolarHBondContact O-N 3.32Å; M41-V45 PolarHBondContact O-N 3.38Å
42P96.1Very high94.2Very high86 Ų8642.1 Ų42.156%0.55826%0.257SS*.Hα-helixtrans-56.1-30.5172.7-26.935.5000113.7R46P42-R46 WeakPolarHBondContact O-CG 3.37Å; P42-R46 PolarHBondContact O-N 2.88Å; P42-R46 VanDerWaalsContact O-N 3.14Å; P42-R46 PolarHBondContact O-NH1 3.46Å
43S95.6Very high93.2Very high56 Ų5644.2 Ų44.239%0.39228%0.277SS..Hα-helixtrans-63.6-47.8171.744.30000111.9M41 V45 R46 T47M41-S43 WeakPolarHBondContact CB-OG 3.32Å; M41-S43 PolarHBondContact O-N 2.98Å; M41-S43 VanDerWaalsContact O-N 3.15Å; S43-V45 VanDerWaalsContact C-N 3.34Å; S43-V45 PolarHBondContact O-N 3.44Å; S43-R46 WeakPolarHBondContact O-CB 3.26Å; S43-R46 PolarHBondContact O-N 3.18Å; S43-R46 VanDerWaalsContact O-N 3.17Å; S43-T47 PolarHBondContact O-N 3.37Å; S43-T47 PolarHBondContact O-OG1 3.14Å
44D96.3Very high91.8Very high10 Ų1051 Ų515%0.05331%0.306CS..Hα-helixtrans-60.6-44.6177.1-65.4-47.6000111.1V40 M41 R46 T47 L48 F66 K67V40-D44 HydrophobicContact CG1-CB 3.89Å; M41-D44 WeakPolarHBondContact CB-OD2 3.23Å; M41-D44 PolarHBondContact N-OD2 2.84Å; M41-D44 WeakPolarHBondContact O-CB 3.37Å; M41-D44 PolarHBondContact O-N 3.32Å; D44-R46 VanDerWaalsContact C-N 3.29Å; D44-R46 PolarHBondContact O-N 3.42Å; D44-T47 WeakPolarHBondContact O-CB 3.43Å; D44-T47 PolarHBondContact O-N 2.93Å; D44-T47 VanDerWaalsContact O-N 3.1Å; D44-L48 WeakPolarHBondContact O-CG 3.41Å; D44-L48 PolarHBondContact O-N 2.98Å; D44-F66 HydrophobicContact CB-CD2 3.74Å; D44-F66 HydrophobicContact CB-CE2 3.7Å; D44-K67 PolarHBondContact OD1-N 2.86Å
45V96.9Very high90.2Very high3 Ų353.9 Ų53.92%0.01832%0.318CS..Hα-helixtrans-55.2-46.2175173.30000111I24 R29 L31 V40 M41 S43 L48 V49I24-V45 HydrophobicContact CD1-CB 4.41Å; I24-V45 HydrophobicContact CD1-CG1 4.32Å; I24-V45 HydrophobicContact CD1-CG2 3.99Å; I24-V45 HydrophobicContact CG1-CG2 4.26Å; I24-V45 HydrophobicContact CG2-CG1 3.64Å; R29-V45 VanDerWaalsContact O-CG1 3.23Å; R29-V45 WeakPolarHBondContact O-CG1 3.47Å; L31-V45 HydrophobicContact CB-CG2 4.4Å; V40-V45 HydrophobicContact CG1-CG2 3.83Å; M41-V45 PolarHBondContact O-N 3.38Å; S43-V45 VanDerWaalsContact C-N 3.34Å; S43-V45 PolarHBondContact O-N 3.44Å; V45-L48 PolarHBondContact O-N 3.41Å; V45-V49 HydrophobicContact CG1-CG2 4.42Å; V45-V49 WeakPolarHBondContact O-CG2 3.45Å; V45-V49 PolarHBondContact O-N 2.96Å
46R93.9Very high88.8Confident127 Ų12754.9 Ų54.948%0.47933%0.325SS..Hα-helixtrans-63-42176.8-72.6-174.7-60.1-91.57.9111.9P42 S43 D44 N50P42-R46 WeakPolarHBondContact O-CG 3.37Å; P42-R46 PolarHBondContact O-N 2.88Å; P42-R46 VanDerWaalsContact O-N 3.14Å; P42-R46 PolarHBondContact O-NH1 3.46Å; S43-R46 WeakPolarHBondContact O-CB 3.26Å; S43-R46 PolarHBondContact O-N 3.18Å; S43-R46 VanDerWaalsContact O-N 3.17Å; D44-R46 VanDerWaalsContact C-N 3.29Å; D44-R46 PolarHBondContact O-N 3.42Å; R46-N50 VanDerWaalsContact O-CB 3.22Å; R46-N50 WeakPolarHBondContact O-CB 3.45Å; R46-N50 PolarHBondContact O-N 2.7Å; R46-N50 PolarHBondContact O-ND2 2.9Å; R46-N50 VanDerWaalsContact O-ND2 3.14Å
47T93.4Very high87.8Confident45 Ų4553.6 Ų53.628%0.27631%0.311SS..Hα-helixtrans-58.5-50.1176.1-57.80000110.7S43 D44 V49 N50 G51 L64 Y65S43-T47 PolarHBondContact O-N 3.37Å; S43-T47 PolarHBondContact O-OG1 3.14Å; D44-T47 WeakPolarHBondContact O-CB 3.43Å; D44-T47 PolarHBondContact O-N 2.93Å; D44-T47 VanDerWaalsContact O-N 3.1Å; T47-V49 PolarHBondContact O-N 3.48Å; T47-N50 PolarHBondContact O-N 3.19Å; T47-G51 PolarHBondContact O-N 2.94Å; T47-L64 HydrophobicContact CG2-CD1 3.7Å; T47-Y65 WeakPolarHBondContact CG2-O 3.35Å
48L94.6Very high87.1Confident0 Ų053.8 Ų53.80%029%0.289CS..Hα-helixtrans-62.5-44.2-178.4-65.4-174.8000112.2I24 D44 V45 G51 F52 L64 F66 V92 L99 V101I24-L48 HydrophobicContact CD1-CB 4.47Å; I24-L48 HydrophobicContact CD1-CD1 3.72Å; D44-L48 WeakPolarHBondContact O-CG 3.41Å; D44-L48 PolarHBondContact O-N 2.98Å; V45-L48 PolarHBondContact O-N 3.41Å; L48-G51 PolarHBondContact O-N 3.44Å; L48-F52 WeakPolarHBondContact O-CD2 3.47Å; L48-L64 HydrophobicContact CD2-CD1 4.16Å; L48-L64 HydrophobicContact CD2-CD2 3.91Å; L48-F66 HydrophobicContact CD1-CD2 4.08Å; L48-F66 HydrophobicContact CD1-CE2 3.6Å; L48-F66 HydrophobicContact CD1-CZ 4.31Å; L48-F66 HydrophobicContact CD2-CD2 3.95Å; L48-F66 HydrophobicContact CD2-CE2 4.3Å; L48-F66 HydrophobicContact CG-CD2 4.03Å; L48-F66 HydrophobicContact CG-CE2 4.06Å; L48-V92 HydrophobicContact CD2-CG2 4.02Å; L48-L99 HydrophobicContact CB-CD1 4.23Å; L48-V101 HydrophobicContact CD1-CB 4.48Å; L48-V101 HydrophobicContact CD1-CG1 4.05Å; L48-V101 HydrophobicContact CD1-CG2 3.57Å
49V93.9Very high86.3Confident11 Ų1154 Ų547%0.06729%0.292CS..Hα-helixtrans-64.1-42.7175.9173.90000111.6I24 R29 V45 T47 G51 F52 A53 L99I24-V49 HydrophobicContact CG2-CG2 4.11Å; R29-V49 HydrophobicContact CG-CG1 4.27Å; V45-V49 HydrophobicContact CG1-CG2 4.42Å; V45-V49 WeakPolarHBondContact O-CG2 3.45Å; V45-V49 PolarHBondContact O-N 2.96Å; T47-V49 PolarHBondContact O-N 3.48Å; V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 3.47Å; V49-F52 PolarHBondContact O-N 3.17Å; V49-A53 PolarHBondContact O-N 3.3Å; V49-L99 HydrophobicContact CB-CD1 4.43Å; V49-L99 HydrophobicContact CG2-CD1 3.82Å
50N90.7Very high85.7Confident53 Ų5355.5 Ų55.528%0.28329%0.289SS..Hα-helixtrans-66.8-29.7-180-73.3-24.6000112.9R46 T47 F52 A53 K54R46-N50 VanDerWaalsContact O-CB 3.22Å; R46-N50 WeakPolarHBondContact O-CB 3.45Å; R46-N50 PolarHBondContact O-N 2.7Å; R46-N50 PolarHBondContact O-ND2 2.9Å; R46-N50 VanDerWaalsContact O-ND2 3.14Å; T47-N50 PolarHBondContact O-N 3.19Å; N50-F52 PolarHBondContact O-N 3.14Å; N50-F52 VanDerWaalsContact O-N 3.17Å; N50-A53 PolarHBondContact O-N 2.52Å; N50-A53 VanDerWaalsContact O-N 3.07Å; N50-K54 PolarHBondContact O-N 2.8Å
51G87.9Confident85.1Confident6 Ų665.8 Ų65.86%0.06233%0.327CS..Hα-helixtrans-55.6-29.7175.100000113.4T47 L48 V49T47-G51 PolarHBondContact O-N 2.94Å; L48-G51 PolarHBondContact O-N 3.44Å; V49-G51 VanDerWaalsContact C-N 3.28Å; V49-G51 PolarHBondContact O-N 3.47Å
52F86.8Confident84.7Confident24 Ų2468.9 Ų68.911%0.10534%0.341CS..Hα-helixtrans-96.2-23.7174.5-66.1-83.9000113.9L48 V49 N50 L81 V92 K94 L99L48-F52 WeakPolarHBondContact O-CD2 3.47Å; V49-F52 PolarHBondContact O-N 3.17Å; N50-F52 PolarHBondContact O-N 3.14Å; N50-F52 VanDerWaalsContact O-N 3.17Å; F52-L81 HydrophobicContact CE1-CB 4.08Å; F52-L81 HydrophobicContact CE2-CB 3.99Å; F52-L81 HydrophobicContact CE2-CD1 4.26Å; F52-L81 HydrophobicContact CZ-CB 3.48Å; F52-L81 VanDerWaalsContact CZ-CB 3.48Å; F52-L81 HydrophobicContact CZ-CD1 4.49Å; F52-V92 HydrophobicContact CE2-CB 4.15Å; F52-V92 HydrophobicContact CE2-CG1 3.65Å; F52-V92 HydrophobicContact CZ-CB 4.25Å; F52-V92 HydrophobicContact CZ-CG1 4.08Å; F52-K94 HydrophobicContact CB-CD 4.04Å; F52-K94 HydrophobicContact CD1-CB 4.02Å; F52-K94 HydrophobicContact CD1-CD 3.82Å; F52-K94 HydrophobicContact CE1-CB 3.86Å; F52-K94 HydrophobicContact CE1-CD 4.49Å; F52-K94 HydrophobicContact CG-CB 4.41Å; F52-K94 HydrophobicContact CG-CD 3.96Å; F52-K94 HydrophobicContact CZ-CB 4.11Å; F52-L99 HydrophobicContact CD2-CD1 4.2Å; F52-L99 HydrophobicContact CD2-CD2 3.89Å; F52-L99 HydrophobicContact CE2-CD1 4.37Å; F52-L99 HydrophobicContact CE2-CD2 3.97Å
53A74Confident84.3Confident70 Ų7065.5 Ų65.558%0.57932%0.321SS*.Hα-helixtrans-88.3-32.5-173.100000114.3V49 N50V49-A53 PolarHBondContact O-N 3.3Å; N50-A53 PolarHBondContact O-N 2.52Å; N50-A53 VanDerWaalsContact O-N 3.07Å
54K65.1Low84.2Confident143 Ų14363 Ų6362%0.62230%0.303SS*.SBendtrans-1010.1-165.9-80.3-168.1175.6-174.50116.5N50N50-K54 PolarHBondContact O-N 2.8Å
55N63.2Low84.1Confident86 Ų8668.2 Ų68.246%0.4632%0.323SS..  trans114110.4178.9-164.8-12.7000111.1L57 Q58N55-L57 PolarHBondContact O-N 2.9Å; N55-L57 WeakPolarHBondContact OD1-CG 3.36Å; N55-L57 PolarHBondContact OD1-N 3.39Å; N55-Q58 PolarHBondContact O-N 3.4Å
56P68.3Low84Confident30 Ų3068.1 Ų68.120%0.19532%0.322CS..Hα-helixtrans-51.2-25.3179.2-27.934.3000114.1Q58 T59 R60 A76P56-Q58 VanDerWaalsContact C-N 3.29Å; P56-Q58 PolarHBondContact O-N 3.49Å; P56-T59 PolarHBondContact O-N 3.17Å; P56-R60 WeakPolarHBondContact O-CG 3.25Å; P56-R60 PolarHBondContact O-N 3.3Å; P56-A76 HydrophobicContact CB-CB 4.13Å
57L73.2Confident84Confident92 Ų9265.7 Ų65.748%0.48232%0.315SS..Hα-helixtrans-59.4-34.3176-66.8176.5000113.8N55 R61N55-L57 PolarHBondContact O-N 2.9Å; N55-L57 WeakPolarHBondContact OD1-CG 3.36Å; N55-L57 PolarHBondContact OD1-N 3.39Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 3.05Å
58Q77.5Confident84Confident87 Ų8771.6 Ų71.641%0.40734%0.34SS..Hα-helixtrans-70.5-48.5178.1-174174.96.900110.5N55 P56 R60 R61 E62N55-Q58 PolarHBondContact O-N 3.4Å; P56-Q58 VanDerWaalsContact C-N 3.29Å; P56-Q58 PolarHBondContact O-N 3.49Å; Q58-R60 PolarHBondContact O-N 2.98Å; Q58-R61 PolarHBondContact O-N 3.3Å; Q58-E62 HydrophobicContact CG-CG 4.35Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.49Å; Q58-E62 WeakPolarHBondContact CG-OE2 3.22Å; Q58-E62 PolarHBondContact NE2-OE1 2.95Å; Q58-E62 PolarHBondContact NE2-OE2 3.48Å; Q58-E62 PolarHBondContact O-N 2.88Å
59T78.8Confident84Confident15 Ų1577.1 Ų77.19%0.09236%0.364CS..Hα-helixtrans-57.9-37.1174.7-56.10000112P56 R61 G63 C73 A76 L81P56-T59 PolarHBondContact O-N 3.17Å; T59-R61 VanDerWaalsContact C-N 3.27Å; T59-R61 PolarHBondContact O-N 2.79Å; T59-G63 VanDerWaalsContact O-CA 3.31Å; T59-G63 WeakPolarHBondContact O-CA 3.31Å; T59-G63 PolarHBondContact O-N 2.83Å; T59-C73 WeakPolarHBondContact O-CB 3.48Å; T59-A76 HydrophobicContact CG2-CB 4.32Å; T59-L81 HydrophobicContact CG2-CD1 3.78Å; T59-L81 HydrophobicContact CG2-CG 4.14Å
60R81.8Confident84Confident138 Ų13882.1 Ų82.152%0.52139%0.39SS..Hα-helixtrans-60.5-35.2173.7-72.8178.3-172.2179.5-1.7113.1P56 Q58 A76P56-R60 WeakPolarHBondContact O-CG 3.25Å; P56-R60 PolarHBondContact O-N 3.3Å; Q58-R60 PolarHBondContact O-N 2.98Å; R60-A76 HydrophobicContact CG-CB 3.96Å; R60-A76 PolarHBondContact NE-O 3.05Å; R60-A76 PolarHBondContact NH2-O 3.28Å
61R83.4Confident84.3Confident225 Ų22580.4 Ų80.485%0.84938%0.38SS*.Hα-helixtrans-84.2-47.6-177.7-72.9179.3178-174.3-0.3112.6L57 Q58 T59L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 3.05Å; Q58-R61 PolarHBondContact O-N 3.3Å; T59-R61 VanDerWaalsContact C-N 3.27Å; T59-R61 PolarHBondContact O-N 2.79Å
62E86.6Confident84.7Confident140 Ų14089.8 Ų89.865%0.65441%0.413SS*.Hα-helixtrans-91.7-20.1-170.7-67171.9-168.800112.8Q58Q58-E62 HydrophobicContact CG-CG 4.35Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.49Å; Q58-E62 WeakPolarHBondContact CG-OE2 3.22Å; Q58-E62 PolarHBondContact NE2-OE1 2.95Å; Q58-E62 PolarHBondContact NE2-OE2 3.48Å; Q58-E62 PolarHBondContact O-N 2.88Å
63G89.2Confident85Confident14 Ų1489.6 Ų89.614%0.14442%0.415CS..  trans84.4-154.5-171.500000112.3T59 Y71T59-G63 VanDerWaalsContact O-CA 3.31Å; T59-G63 WeakPolarHBondContact O-CA 3.31Å; T59-G63 PolarHBondContact O-N 2.83Å; G63-Y71 CarbonylContact C-O 3.45Å; G63-Y71 VanDerWaalsContact CA-O 3.23Å; G63-Y71 WeakPolarHBondContact CA-O 3.46Å
64L92.8Very high86.1Confident4 Ų490.6 Ų90.62%0.02141%0.414CS..EExtended strand (participates in β ladder)trans-137.1120.9-178.1-176.480.7000109.8T47 L48 F66 Y71 L81 A83 V90T47-L64 HydrophobicContact CG2-CD1 3.7Å; L48-L64 HydrophobicContact CD2-CD1 4.16Å; L48-L64 HydrophobicContact CD2-CD2 3.91Å; L64-F66 HydrophobicContact CD2-CB 3.98Å; L64-F66 HydrophobicContact CG-CB 4.2Å; L64-Y71 PolarHBondContact N-O 2.93Å; L64-Y71 WeakPolarHBondContact O-CB 3.42Å; L64-Y71 PolarHBondContact O-N 2.79Å; L64-L81 HydrophobicContact CD1-CD2 4.47Å; L64-L81 HydrophobicContact CD2-CD2 4.03Å; L64-A83 HydrophobicContact CB-CB 4.03Å; L64-A83 HydrophobicContact CD2-CB 4.31Å; L64-V90 HydrophobicContact CD2-CG1 3.57Å
65Y93.4Very high87.4Confident119 Ų11988.8 Ų88.847%0.46740%0.403SS..EExtended strand (participates in β ladder)trans-92.4108.1170.6-174.5-100.9000110T47 E68 K69 D70T47-Y65 WeakPolarHBondContact CG2-O 3.35Å; Y65-E68 WeakPolarHBondContact OH-CA 3.14Å; Y65-K69 WeakPolarHBondContact CA-O 3.02Å; Y65-D70 WeakPolarHBondContact CD2-OD1 3.17Å
66F95Very high88.8Confident1 Ų184.8 Ų84.80%0.00438%0.382CS..EExtended strand (participates in β ladder)trans-140.6131.9-173.8177.2-107.8000110.4F38 V40 D44 L48 L64 E68 K69 Y71 V90 V101 T103F38-F66 HydrophobicContact CE2-CE1 4.44Å; F38-F66 HydrophobicContact CE2-CZ 4.38Å; F38-F66 HydrophobicContact CZ-CE1 4.1Å; F38-F66 AromaticContact CZ-CZ 3.78Å; F38-F66 HydrophobicContact CZ-CZ 3.78Å; V40-F66 HydrophobicContact CG1-CE2 4.22Å; D44-F66 HydrophobicContact CB-CD2 3.74Å; D44-F66 HydrophobicContact CB-CE2 3.7Å; L48-F66 HydrophobicContact CD1-CD2 4.08Å; L48-F66 HydrophobicContact CD1-CE2 3.6Å; L48-F66 HydrophobicContact CD1-CZ 4.31Å; L48-F66 HydrophobicContact CD2-CD2 3.95Å; L48-F66 HydrophobicContact CD2-CE2 4.3Å; L48-F66 HydrophobicContact CG-CD2 4.03Å; L48-F66 HydrophobicContact CG-CE2 4.06Å; L64-F66 HydrophobicContact CD2-CB 3.98Å; L64-F66 HydrophobicContact CG-CB 4.2Å; F66-E68 VanDerWaalsContact C-N 3.29Å; F66-E68 PolarHBondContact O-N 2.8Å; F66-K69 PolarHBondContact N-O 2.91Å; F66-K69 PolarHBondContact O-N 2.85Å; F66-Y71 HydrophobicContact CB-CD2 4.37Å; F66-Y71 HydrophobicContact CB-CE2 4.32Å; F66-Y71 HydrophobicContact CD1-CE2 4.48Å; F66-Y71 WeakPolarHBondContact O-CE2 3.48Å; F66-V90 HydrophobicContact CD1-CG2 4.39Å; F66-V90 HydrophobicContact CE1-CG2 4.33Å; F66-V101 HydrophobicContact CZ-CG1 4.35Å; F66-T103 HydrophobicContact CE1-CG2 4.2Å
67K94.4Very high89.9Confident77 Ų7785.2 Ų85.234%0.33538%0.383SS..THydrogen-bonded Turntrans49.949.3-177.6-66.4-169.967.6176.10112.9F38 D44 K69F38-K67 HydrophobicContact CD2-CD 4.28Å; F38-K67 HydrophobicContact CE2-CD 3.56Å; F38-K67 HydrophobicContact CZ-CD 4.31Å; D44-K67 PolarHBondContact OD1-N 2.86Å; K67-K69 PolarHBondContact O-N 2.83Å
68E93.4Very high90.8Very high168 Ų16886.5 Ų86.579%0.78539%0.386SS*.THydrogen-bonded Turntrans60.425.8176.8-54179.5157.300114.3Y65 F66Y65-E68 WeakPolarHBondContact OH-CA 3.14Å; F66-E68 VanDerWaalsContact C-N 3.29Å; F66-E68 PolarHBondContact O-N 2.8Å
69K94.1Very high91.6Very high116 Ų11687 Ų8750%0.50439%0.385SS..EExtended strand (participates in β ladder)trans-135.1142.1178.4-65.8178.1-175.8-177.30110.7Y65 F66 K67 Y71Y65-K69 WeakPolarHBondContact CA-O 3.02Å; F66-K69 PolarHBondContact N-O 2.91Å; F66-K69 PolarHBondContact O-N 2.85Å; K67-K69 PolarHBondContact O-N 2.83Å; K69-Y71 HydrophobicContact CB-CD2 4.35Å; K69-Y71 HydrophobicContact CB-CE2 3.72Å; K69-Y71 WeakPolarHBondContact O-CD2 3.5Å
70D94.8Very high92.4Very high117 Ų11786.4 Ų86.463%0.62638%0.381SS*.EExtended strand (participates in β ladder)trans-81.9133.4169.8-69.5-69.2000110.9Y65Y65-D70 WeakPolarHBondContact CD2-OD1 3.17Å
71Y96.4Very high93.1Very high17 Ų1779.9 Ų79.97%0.06736%0.357CS..EExtended strand (participates in β ladder)trans-121.2131.9173.4-67.2-103.3000109.4G63 L64 F66 K69 A83 N85 A88 V90G63-Y71 CarbonylContact C-O 3.45Å; G63-Y71 VanDerWaalsContact CA-O 3.23Å; G63-Y71 WeakPolarHBondContact CA-O 3.46Å; L64-Y71 PolarHBondContact N-O 2.93Å; L64-Y71 WeakPolarHBondContact O-CB 3.42Å; L64-Y71 PolarHBondContact O-N 2.79Å; F66-Y71 HydrophobicContact CB-CD2 4.37Å; F66-Y71 HydrophobicContact CB-CE2 4.32Å; F66-Y71 HydrophobicContact CD1-CE2 4.48Å; F66-Y71 WeakPolarHBondContact O-CE2 3.48Å; K69-Y71 HydrophobicContact CB-CD2 4.35Å; K69-Y71 HydrophobicContact CB-CE2 3.72Å; K69-Y71 WeakPolarHBondContact O-CD2 3.5Å; Y71-A83 HydrophobicContact CG-CB 4.41Å; Y71-N85 HydrophobicContact CD1-CB 4.36Å; Y71-A88 HydrophobicContact CE1-CB 4.28Å; Y71-V90 HydrophobicContact CD1-CG1 4.16Å; Y71-V90 HydrophobicContact CE1-CG1 4.47Å; Y71-V90 HydrophobicContact CG-CG1 4.31Å
72R95.8Very high93.7Very high202 Ų20270.4 Ų70.476%0.76232%0.321SS*.EExtended strand (participates in β ladder)trans-74.8129.4170.8-177.1176.7176.2174.70.7109.5V74 A83 K84R72-V74 PolarHBondContact O-N 2.96Å; R72-A83 CarbonylContact O-C 3.58Å; R72-A83 WeakPolarHBondContact O-CA 3.35Å; R72-K84 PolarHBondContact N-O 3.32Å; R72-K84 PolarHBondContact O-N 3.5Å
73C95Very high94.3Very high21 Ų2163.8 Ų63.814%0.14229%0.29CS..EExtended strand (participates in β ladder)trans-64.6132.6174.6-176.80000110.8T59 R75T59-C73 WeakPolarHBondContact O-CB 3.48Å; C73-R75 VanDerWaalsContact SG-C 3.56Å; C73-R75 PolarHBondContact SG-O 2.84Å; C73-R75 VanDerWaalsContact SG-O 3.4Å
74V95.2Very high94.6Very high91 Ų9168.3 Ų68.355%0.55231%0.306SS*.EExtended strand (participates in β ladder)trans-105.7-40.5173.3178.30000110R72 Y82 K84R72-V74 PolarHBondContact O-N 2.96Å; V74-Y82 PolarHBondContact N-O 3.1Å; V74-K84 HydrophobicContact CG2-CB 4.33Å; V74-K84 HydrophobicContact CG2-CD 3.86Å; V74-K84 HydrophobicContact CG2-CG 3.66Å
75R94.1Very high94.8Very high105 Ų10570.4 Ų70.440%0.39632%0.318SS..EExtended strand (participates in β ladder)trans-144.4139.6177.6-175.5-178.1178.3177.4-3.6108.5C73 D77 L81 Y82C73-R75 VanDerWaalsContact SG-C 3.56Å; C73-R75 PolarHBondContact SG-O 2.84Å; C73-R75 VanDerWaalsContact SG-O 3.4Å; R75-D77 IonicContact CZ-OD2 3.56Å; R75-D77 IonicContact NE-OD2 2.7Å; R75-D77 PolarHBondContact NE-OD2 2.9Å; R75-D77 IonicContact NH2-OD2 3.28Å; R75-D77 PolarHBondContact NH2-OD2 2.93Å; R75-L81 CarbonylContact O-C 3.54Å; R75-L81 WeakPolarHBondContact O-CA 3.38Å; R75-Y82 HydrophobicContact CB-CD2 3.55Å; R75-Y82 HydrophobicContact CB-CE2 4.12Å; R75-Y82 HydrophobicContact CB-CG 3.89Å; R75-Y82 HydrophobicContact CG-CD2 4.23Å; R75-Y82 HydrophobicContact CG-CE2 4.31Å; R75-Y82 PolarHBondContact N-O 3.34Å; R75-Y82 VanDerWaalsContact N-O 3.17Å; R75-Y82 PolarHBondContact NH1-OH 3.15Å; R75-Y82 PolarHBondContact O-N 2.99Å
76A92.8Very high94.7Very high2 Ų273.6 Ų73.62%0.01734%0.337CS..EExtended strand (participates in β ladder)trans-150.8115.6165.100000107.9P56 T59 R60 S80P56-A76 HydrophobicContact CB-CB 4.13Å; T59-A76 HydrophobicContact CG2-CB 4.32Å; R60-A76 HydrophobicContact CG-CB 3.96Å; R60-A76 PolarHBondContact NE-O 3.05Å; R60-A76 PolarHBondContact NH2-O 3.28Å; A76-S80 CarbonylContact C-O 3.57Å; A76-S80 VanDerWaalsContact CA-O 3.3Å; A76-S80 WeakPolarHBondContact CA-O 3.4Å
77D91.4Very high94.6Very high39 Ų3977.9 Ų77.921%0.20936%0.359CS..SBendtrans-136.2-161.1174.561.347.1000110.1R75 Y79 S80R75-D77 IonicContact CZ-OD2 3.56Å; R75-D77 IonicContact NE-OD2 2.7Å; R75-D77 PolarHBondContact NE-OD2 2.9Å; R75-D77 IonicContact NH2-OD2 3.28Å; R75-D77 PolarHBondContact NH2-OD2 2.93Å; D77-Y79 VanDerWaalsContact C-N 3.27Å; D77-Y79 PolarHBondContact O-N 3.19Å; D77-Y79 PolarHBondContact OD1-N 3.12Å; D77-S80 PolarHBondContact N-O 2.96Å; D77-S80 PolarHBondContact OD1-N 3.37Å
78E90.6Very high94.8Very high118 Ų11874.8 Ų74.855%0.55135%0.349SS*.SBendtrans-63.1-33.1-177.2-171.5-178.2164.600113.1K94E78-K94 WeakPolarHBondContact O-CD 3.42Å
79Y93.9Very high95Very high97 Ų9766.8 Ų66.838%0.3831%0.311SS..SBendtrans-118.9-22.1-169.9-63.1-68.9000113.8D77 V93 K94D77-Y79 VanDerWaalsContact C-N 3.27Å; D77-Y79 PolarHBondContact O-N 3.19Å; D77-Y79 PolarHBondContact OD1-N 3.12Å; Y79-V93 CarbonylContact O-C 3.54Å; Y79-V93 WeakPolarHBondContact O-CA 3.45Å; Y79-K94 PolarHBondContact O-N 3.02Å
80S96.1Very high95.2Very high3 Ų361.3 Ų61.32%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-131128.3-169.8-55.40000110.8A76 D77 E118A76-S80 CarbonylContact C-O 3.57Å; A76-S80 VanDerWaalsContact CA-O 3.3Å; A76-S80 WeakPolarHBondContact CA-O 3.4Å; D77-S80 PolarHBondContact N-O 2.96Å; D77-S80 PolarHBondContact OD1-N 3.37Å; S80-E118 VanDerWaalsContact CB-OE1 3.29Å; S80-E118 WeakPolarHBondContact CB-OE1 3.38Å; S80-E118 PolarHBondContact OG-OE1 2.72Å
81L96.4Very high95.4Very high1 Ų155.8 Ų55.81%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-128.3114.3172.2-177164.5000108.7F52 T59 L64 R75 V92F52-L81 HydrophobicContact CE1-CB 4.08Å; F52-L81 HydrophobicContact CE2-CB 3.99Å; F52-L81 HydrophobicContact CE2-CD1 4.26Å; F52-L81 HydrophobicContact CZ-CB 3.48Å; F52-L81 VanDerWaalsContact CZ-CB 3.48Å; F52-L81 HydrophobicContact CZ-CD1 4.49Å; T59-L81 HydrophobicContact CG2-CD1 3.78Å; T59-L81 HydrophobicContact CG2-CG 4.14Å; L64-L81 HydrophobicContact CD1-CD2 4.47Å; L64-L81 HydrophobicContact CD2-CD2 4.03Å; R75-L81 CarbonylContact O-C 3.54Å; R75-L81 WeakPolarHBondContact O-CA 3.38Å; L81-V92 HydrophobicContact CB-CB 4.3Å; L81-V92 HydrophobicContact CD2-CG2 4.35Å; L81-V92 PolarHBondContact N-O 2.97Å; L81-V92 PolarHBondContact O-N 3.16Å
82Y97.4Very high95.5Very high26 Ų2655 Ų5510%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-117.6131.9177.4-46.6-22.3000108.8V74 R75 V90 V91 V114 E118V74-Y82 PolarHBondContact N-O 3.1Å; R75-Y82 HydrophobicContact CB-CD2 3.55Å; R75-Y82 HydrophobicContact CB-CE2 4.12Å; R75-Y82 HydrophobicContact CB-CG 3.89Å; R75-Y82 HydrophobicContact CG-CD2 4.23Å; R75-Y82 HydrophobicContact CG-CE2 4.31Å; R75-Y82 PolarHBondContact N-O 3.34Å; R75-Y82 VanDerWaalsContact N-O 3.17Å; R75-Y82 PolarHBondContact NH1-OH 3.15Å; R75-Y82 PolarHBondContact O-N 2.99Å; Y82-V90 WeakPolarHBondContact CA-O 3.4Å; Y82-V91 HydrophobicContact CD1-CB 4.37Å; Y82-V91 HydrophobicContact CD1-CG1 3.73Å; Y82-V91 HydrophobicContact CD1-CG2 4.49Å; Y82-V91 HydrophobicContact CE1-CG1 3.71Å; Y82-V114 HydrophobicContact CD2-CG2 4.35Å; Y82-V114 HydrophobicContact CE2-CG1 3.9Å; Y82-V114 HydrophobicContact CE2-CG2 4.26Å; Y82-E118 WeakPolarHBondContact CE1-OE1 3.23Å; Y82-E118 PolarHBondContact OH-OE1 3.48Å
83A97.3Very high95.6Very high1 Ų145.3 Ų45.31%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-139.4147.6174.900000110.2L64 Y71 R72 G89 V90L64-A83 HydrophobicContact CB-CB 4.03Å; L64-A83 HydrophobicContact CD2-CB 4.31Å; Y71-A83 HydrophobicContact CG-CB 4.41Å; R72-A83 CarbonylContact O-C 3.58Å; R72-A83 WeakPolarHBondContact O-CA 3.35Å; A83-G89 CarbonylContact O-C 3.51Å; A83-G89 VanDerWaalsContact O-CA 3.25Å; A83-G89 WeakPolarHBondContact O-CA 3.36Å; A83-V90 HydrophobicContact CB-CG1 3.94Å; A83-V90 PolarHBondContact N-O 3.36Å; A83-V90 PolarHBondContact O-N 2.9Å
84K97.4Very high95.6Very high109 Ų10947 Ų4747%0.47422%0.223SC..EExtended strand (participates in β ladder)trans-138.8152.4-179.273.7178.3-176.2169.10111.9R72 V74 A88R72-K84 PolarHBondContact N-O 3.32Å; R72-K84 PolarHBondContact O-N 3.5Å; V74-K84 HydrophobicContact CG2-CB 4.33Å; V74-K84 HydrophobicContact CG2-CD 3.86Å; V74-K84 HydrophobicContact CG2-CG 3.66Å; K84-A88 WeakPolarHBondContact CA-O 3.39Å
85N96Very high95.7Very high49 Ų4942.9 Ų42.926%0.26220%0.198SC..  trans-117.1-163.2161.160.727.9000108.7Y71 N87 A88Y71-N85 HydrophobicContact CD1-CB 4.36Å; N85-N87 PolarHBondContact O-N 3.05Å; N85-N87 PolarHBondContact OD1-N 3.44Å; N85-A88 PolarHBondContact N-O 2.67Å; N85-A88 WeakPolarHBondContact OD1-CA 3.38Å; N85-A88 WeakPolarHBondContact OD1-CB 3.32Å; N85-A88 PolarHBondContact OD1-N 3.43Å; N85-A88 PolarHBondContact OD1-O 3.48Å
86E92.3Very high95.7Very high186 Ų18643.6 Ų43.687%0.86921%0.206SC*.SBendtrans-59.3-46.1-174.2-62.9-173.6158.400112.4
87N92.8Very high95.7Very high90 Ų9046.4 Ų46.448%0.48122%0.22SC..SBendtrans-119.14-167.9-61.2-9.7000113.6N85 T105 E106N85-N87 PolarHBondContact O-N 3.05Å; N85-N87 PolarHBondContact OD1-N 3.44Å; N87-T105 CarbonylContact O-C 3.54Å; N87-T105 WeakPolarHBondContact O-CA 3.5Å; N87-E106 HydrophobicContact CB-CB 4.39Å; N87-E106 PolarHBondContact O-N 2.95Å
88A97.6Very high95.9Very high13 Ų1345.9 Ų45.911%0.10722%0.216CC..EExtended strand (participates in β ladder)trans-153.4165.7-177.600000112.4Y71 K84 N85 Y104 T105Y71-A88 HydrophobicContact CE1-CB 4.28Å; K84-A88 WeakPolarHBondContact CA-O 3.39Å; N85-A88 PolarHBondContact N-O 2.67Å; N85-A88 WeakPolarHBondContact OD1-CA 3.38Å; N85-A88 WeakPolarHBondContact OD1-CB 3.32Å; N85-A88 PolarHBondContact OD1-N 3.43Å; N85-A88 PolarHBondContact OD1-O 3.48Å; A88-Y104 CarbonylContact C-O 3.55Å; A88-Y104 VanDerWaalsContact CA-O 3.23Å; A88-Y104 WeakPolarHBondContact CA-O 3.33Å; A88-Y104 WeakPolarHBondContact CB-O 3.39Å; A88-T105 HydrophobicContact CB-CG2 4.5Å
89G98.1Very high96.2Very high0 Ų040.4 Ų40.40%019%0.19CC..EExtended strand (participates in β ladder)trans-150.6168.5168.400000113.2A83 T103 Y104A83-G89 CarbonylContact O-C 3.51Å; A83-G89 VanDerWaalsContact O-CA 3.25Å; A83-G89 WeakPolarHBondContact O-CA 3.36Å; G89-T103 VanDerWaalsContact O-CA 3.23Å; G89-T103 WeakPolarHBondContact O-CA 3.47Å; G89-T103 WeakPolarHBondContact O-CB 3.23Å; G89-Y104 VanDerWaalsContact CA-CZ 3.4Å; G89-Y104 PolarHBondContact N-O 3.07Å; G89-Y104 PolarHBondContact O-N 3.5Å
90V98.3Very high96.4Very high0 Ų035.8 Ų35.80%017%0.172CC..EExtended strand (participates in β ladder)trans-131.3130.1178.760.50000108.8L64 F66 Y71 Y82 A83 V92 V101 A102 T103L64-V90 HydrophobicContact CD2-CG1 3.57Å; F66-V90 HydrophobicContact CD1-CG2 4.39Å; F66-V90 HydrophobicContact CE1-CG2 4.33Å; Y71-V90 HydrophobicContact CD1-CG1 4.16Å; Y71-V90 HydrophobicContact CE1-CG1 4.47Å; Y71-V90 HydrophobicContact CG-CG1 4.31Å; Y82-V90 WeakPolarHBondContact CA-O 3.4Å; A83-V90 HydrophobicContact CB-CG1 3.94Å; A83-V90 PolarHBondContact N-O 3.36Å; A83-V90 PolarHBondContact O-N 2.9Å; V90-V92 HydrophobicContact CG2-CG2 3.84Å; V90-V101 HydrophobicContact CG2-CG1 3.99Å; V90-A102 CarbonylContact C-O 3.55Å; V90-A102 WeakPolarHBondContact CA-O 3.4Å; V90-T103 HydrophobicContact CB-CG2 4.31Å; V90-T103 HydrophobicContact CG2-CG2 4.21Å
91V98.6Very high96.5Very high1 Ų135.6 Ų35.61%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-115.2121.7176.5-179.40000106.4Y82 V93 A102 Y104 V114 T117Y82-V91 HydrophobicContact CD1-CB 4.37Å; Y82-V91 HydrophobicContact CD1-CG1 3.73Å; Y82-V91 HydrophobicContact CD1-CG2 4.49Å; Y82-V91 HydrophobicContact CE1-CG1 3.71Å; V91-V93 HydrophobicContact CG1-CG2 4.21Å; V91-A102 PolarHBondContact N-O 2.83Å; V91-A102 PolarHBondContact O-N 2.88Å; V91-Y104 HydrophobicContact CG2-CD1 4.43Å; V91-Y104 HydrophobicContact CG2-CE1 4.2Å; V91-V114 HydrophobicContact CG1-CG2 4.37Å; V91-V114 HydrophobicContact CG2-CG2 3.68Å; V91-T117 HydrophobicContact CG1-CG2 3.92Å
92V98Very high96.6Very high0 Ų035.6 Ų35.60%017%0.17CC..EExtended strand (participates in β ladder)trans-123122.6178-167.70000108.8L48 F52 L81 V90 L99 L100 V101L48-V92 HydrophobicContact CD2-CG2 4.02Å; F52-V92 HydrophobicContact CE2-CB 4.15Å; F52-V92 HydrophobicContact CE2-CG1 3.65Å; F52-V92 HydrophobicContact CZ-CB 4.25Å; F52-V92 HydrophobicContact CZ-CG1 4.08Å; L81-V92 HydrophobicContact CB-CB 4.3Å; L81-V92 HydrophobicContact CD2-CG2 4.35Å; L81-V92 PolarHBondContact N-O 2.97Å; L81-V92 PolarHBondContact O-N 3.16Å; V90-V92 HydrophobicContact CG2-CG2 3.84Å; V92-L99 HydrophobicContact CG1-CB 4.05Å; V92-L99 HydrophobicContact CG1-CD1 4.43Å; V92-L100 CarbonylContact C-O 3.43Å; V92-L100 VanDerWaalsContact CA-O 3.31Å; V92-L100 WeakPolarHBondContact CA-O 3.12Å; V92-V101 HydrophobicContact CG1-CG2 4.17Å; V92-V101 HydrophobicContact CG2-CG1 4.36Å
93V97.9Very high96.7Very high0 Ų034.8 Ų34.80%017%0.168CC..EExtended strand (participates in β ladder)trans-117.4122.8-179.9-178.40000109Y79 V91 L100 T117 E118 R125Y79-V93 CarbonylContact O-C 3.54Å; Y79-V93 WeakPolarHBondContact O-CA 3.45Å; V91-V93 HydrophobicContact CG1-CG2 4.21Å; V93-L100 PolarHBondContact N-O 2.88Å; V93-L100 PolarHBondContact O-N 3.45Å; V93-T117 HydrophobicContact CB-CG2 4.25Å; V93-T117 HydrophobicContact CG2-CG2 3.65Å; V93-E118 WeakPolarHBondContact CG1-OE2 3.45Å; V93-E118 VanDerWaalsContact CG2-CD 3.48Å; V93-E118 HydrophobicContact CG2-CG 4.11Å; V93-R125 VanDerWaalsContact CG1-NH1 3.33Å
94K96.4Very high96.7Very high56 Ų5636 Ų3624%0.24317%0.173CC..EExtended strand (participates in β ladder)trans-89.6122.2-179.8177.2-178167.9-159.20110.9I26 F52 E78 Y79 L99 R125I26-K94 HydrophobicContact CD1-CG 3.93Å; F52-K94 HydrophobicContact CB-CD 4.04Å; F52-K94 HydrophobicContact CD1-CB 4.02Å; F52-K94 HydrophobicContact CD1-CD 3.82Å; F52-K94 HydrophobicContact CE1-CB 3.86Å; F52-K94 HydrophobicContact CE1-CD 4.49Å; F52-K94 HydrophobicContact CG-CB 4.41Å; F52-K94 HydrophobicContact CG-CD 3.96Å; F52-K94 HydrophobicContact CZ-CB 4.11Å; E78-K94 WeakPolarHBondContact O-CD 3.42Å; Y79-K94 PolarHBondContact O-N 3.02Å; K94-L99 HydrophobicContact CB-CD2 3.63Å; K94-L99 HydrophobicContact CD-CD2 4.46Å; K94-L99 HydrophobicContact CG-CD2 3.75Å; K94-R125 PolarHBondContact O-NH1 3.09Å
95T95.9Very high96.8Very high5 Ų533.2 Ų33.23%0.03117%0.165CC..  trans-100.5-167171.283.90000110.3I26 L97 Y98 L124 R125I26-T95 WeakPolarHBondContact CD1-O 3.18Å; T95-L97 PolarHBondContact OG1-N 2.79Å; T95-Y98 PolarHBondContact N-O 2.97Å; T95-Y98 PolarHBondContact OG1-N 2.84Å; T95-Y98 PolarHBondContact OG1-O 2.84Å; T95-L124 HydrophobicContact CG2-CB 3.82Å; T95-L124 HydrophobicContact CG2-CD1 4.11Å; T95-R125 HydrophobicContact CG2-CG 4.45Å
96H93.8Very high96.8Very high120 Ų12038.1 Ų38.156%0.55619%0.187SC*.SBendtrans-70-45.5175.5-62-58.8000112.3R125H96-R125 PolarHBondContact CD2-O 3.27Å; H96-R125 PolarHBondContact NE2-O 3.44Å
97L93.7Very high96.9Very high60 Ų6032.9 Ų32.931%0.31418%0.183SC..SBendtrans-107-17.6-179.6-45.3178.9000114.2I26 T95 S129I26-L97 PolarHBondContact N-O 2.85Å; T95-L97 PolarHBondContact OG1-N 2.79Å; L97-S129 WeakPolarHBondContact CB-OXT 3.42Å; L97-S129 WeakPolarHBondContact CD1-OXT 3.44Å; L97-S129 VanDerWaalsContact CG-C 3.44Å; L97-S129 WeakPolarHBondContact CG-OXT 3.38Å; L97-S129 PolarHBondContact N-O 3.44Å
98Y95.8Very high97.2Very high29 Ų2930.7 Ų30.711%0.11417%0.17CC..EExtended strand (participates in β ladder)trans-129.2153.4-169.2-56.4-69.8000114.6Q5 L23 I24 K25 I26 T95 S129Q5-Y98 PolarHBondContact NE2-OH 2.87Å; L23-Y98 HydrophobicContact CD1-CG 4.19Å; L23-Y98 HydrophobicContact CD2-CD1 3.27Å; L23-Y98 HydrophobicContact CD2-CD2 3.96Å; L23-Y98 HydrophobicContact CD2-CE1 3.43Å; L23-Y98 VanDerWaalsContact CD2-CE1 3.43Å; L23-Y98 HydrophobicContact CD2-CE2 4.07Å; L23-Y98 HydrophobicContact CD2-CG 3.56Å; L23-Y98 HydrophobicContact CG-CD1 3.77Å; L23-Y98 HydrophobicContact CG-CD2 4.45Å; L23-Y98 HydrophobicContact CG-CE1 4.42Å; L23-Y98 HydrophobicContact CG-CG 3.8Å; I24-Y98 CarbonylContact O-C 3.33Å; I24-Y98 WeakPolarHBondContact O-CA 3.49Å; K25-Y98 HydrophobicContact CB-CD1 4.31Å; K25-Y98 HydrophobicContact CB-CE1 4.3Å; K25-Y98 HydrophobicContact CD-CE1 4.22Å; K25-Y98 HydrophobicContact CG-CD1 4.27Å; K25-Y98 HydrophobicContact CG-CE1 3.99Å; I26-Y98 WeakPolarHBondContact CD1-O 3.39Å; T95-Y98 PolarHBondContact N-O 2.97Å; T95-Y98 PolarHBondContact OG1-N 2.84Å; T95-Y98 PolarHBondContact OG1-O 2.84Å; Y98-S129 WeakPolarHBondContact CD2-OXT 3.36Å; Y98-S129 WeakPolarHBondContact CE2-OG 3.43Å; Y98-S129 WeakPolarHBondContact CE2-OXT 3.37Å
99L96.9Very high97.2Very high2 Ų237 Ų371%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-98.4122.6153.4-54.1-178.2000108.1I24 I26 L48 V49 F52 V92 K94I24-L99 HydrophobicContact CB-CB 4.22Å; I24-L99 PolarHBondContact N-O 3.18Å; I24-L99 PolarHBondContact O-N 3.2Å; I26-L99 HydrophobicContact CD1-CD2 4.04Å; I26-L99 HydrophobicContact CG1-CD2 3.99Å; I26-L99 HydrophobicContact CG1-CG 3.98Å; L48-L99 HydrophobicContact CB-CD1 4.23Å; V49-L99 HydrophobicContact CB-CD1 4.43Å; V49-L99 HydrophobicContact CG2-CD1 3.82Å; F52-L99 HydrophobicContact CD2-CD1 4.2Å; F52-L99 HydrophobicContact CD2-CD2 3.89Å; F52-L99 HydrophobicContact CE2-CD1 4.37Å; F52-L99 HydrophobicContact CE2-CD2 3.97Å; V92-L99 HydrophobicContact CG1-CB 4.05Å; V92-L99 HydrophobicContact CG1-CD1 4.43Å; K94-L99 HydrophobicContact CB-CD2 3.63Å; K94-L99 HydrophobicContact CD-CD2 4.46Å; K94-L99 HydrophobicContact CG-CD2 3.75Å
100L97.9Very high97.2Very high0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-89.9118.1168.2-177.266000108.1L9 L12 L23 V92 V93 T117 L120L9-L100 HydrophobicContact CD2-CD1 4.07Å; L12-L100 HydrophobicContact CD1-CD1 3.89Å; L12-L100 HydrophobicContact CD1-CD2 4.22Å; L12-L100 HydrophobicContact CD1-CG 4.22Å; L23-L100 HydrophobicContact CD1-CD1 4.12Å; V92-L100 CarbonylContact C-O 3.43Å; V92-L100 VanDerWaalsContact CA-O 3.31Å; V92-L100 WeakPolarHBondContact CA-O 3.12Å; V93-L100 PolarHBondContact N-O 2.88Å; V93-L100 PolarHBondContact O-N 3.45Å; L100-T117 HydrophobicContact CD2-CG2 3.67Å; L100-T117 WeakPolarHBondContact CD2-O 3.37Å; L100-T117 HydrophobicContact CG-CG2 3.86Å; L100-L120 HydrophobicContact CD1-CD2 4.1Å; L100-L120 HydrophobicContact CD2-CB 3.8Å; L100-L120 HydrophobicContact CD2-CD2 3.72Å; L100-L120 HydrophobicContact CD2-CG 3.73Å
101V98.4Very high97.2Very high0 Ų043.7 Ų43.70%024%0.237CC..EExtended strand (participates in β ladder)trans-110.2128.9-178.4-174.40000107.8A21 A22 I24 L48 F66 V90 V92A21-V101 CarbonylContact C-O 3.57Å; A21-V101 WeakPolarHBondContact CA-O 3.33Å; A21-V101 WeakPolarHBondContact CB-O 3.47Å; A22-V101 HydrophobicContact CB-CB 4.3Å; A22-V101 PolarHBondContact N-O 3.4Å; A22-V101 PolarHBondContact O-N 3.33Å; I24-V101 HydrophobicContact CD1-CG2 3.84Å; L48-V101 HydrophobicContact CD1-CB 4.48Å; L48-V101 HydrophobicContact CD1-CG1 4.05Å; L48-V101 HydrophobicContact CD1-CG2 3.57Å; F66-V101 HydrophobicContact CZ-CG1 4.35Å; V90-V101 HydrophobicContact CG2-CG1 3.99Å; V92-V101 HydrophobicContact CG1-CG2 4.17Å; V92-V101 HydrophobicContact CG2-CG1 4.36Å
102A98.7Very high97.2Very high0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-132.7140.2173.100000109.5L12 V18 S20 V90 V91 T117L12-A102 HydrophobicContact CD1-CB 4.46Å; V18-A102 HydrophobicContact CG1-CB 3.95Å; S20-A102 CarbonylContact O-C 3.57Å; S20-A102 WeakPolarHBondContact O-CA 3.37Å; V90-A102 CarbonylContact C-O 3.55Å; V90-A102 WeakPolarHBondContact CA-O 3.4Å; V91-A102 PolarHBondContact N-O 2.83Å; V91-A102 PolarHBondContact O-N 2.88Å; A102-T117 HydrophobicContact CB-CG2 3.95Å; A102-T117 WeakPolarHBondContact CB-OG1 3.5Å
103T98.6Very high97.2Very high10 Ų1045.7 Ų45.76%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-115.8156173.261.10000110.5V18 D19 S20 F38 F66 G89 V90V18-T103 CarbonylContact C-O 3.59Å; V18-T103 WeakPolarHBondContact CA-O 3.41Å; D19-T103 PolarHBondContact N-O 3.16Å; S20-T103 WeakPolarHBondContact CB-OG1 3.07Å; S20-T103 PolarHBondContact N-OG1 3.48Å; S20-T103 PolarHBondContact O-N 3.19Å; S20-T103 PolarHBondContact O-OG1 3.23Å; F38-T103 HydrophobicContact CE2-CG2 4.25Å; F38-T103 HydrophobicContact CZ-CG2 4.1Å; F66-T103 HydrophobicContact CE1-CG2 4.2Å; G89-T103 VanDerWaalsContact O-CA 3.23Å; G89-T103 WeakPolarHBondContact O-CA 3.47Å; G89-T103 WeakPolarHBondContact O-CB 3.23Å; V90-T103 HydrophobicContact CB-CG2 4.31Å; V90-T103 HydrophobicContact CG2-CG2 4.21Å
104Y98.5Very high97.2Very high26 Ų2647.5 Ų47.510%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-135.8157.216962.7-96.9000109.1A88 G89 V91 P110 C113A88-Y104 CarbonylContact C-O 3.55Å; A88-Y104 VanDerWaalsContact CA-O 3.23Å; A88-Y104 WeakPolarHBondContact CA-O 3.33Å; A88-Y104 WeakPolarHBondContact CB-O 3.39Å; G89-Y104 VanDerWaalsContact CA-CZ 3.4Å; G89-Y104 PolarHBondContact N-O 3.07Å; G89-Y104 PolarHBondContact O-N 3.5Å; V91-Y104 HydrophobicContact CG2-CD1 4.43Å; V91-Y104 HydrophobicContact CG2-CE1 4.2Å; Y104-P110 HydrophobicContact CD2-CB 4.45Å; Y104-P110 HydrophobicContact CD2-CG 4.14Å; Y104-P110 HydrophobicContact CE1-CB 3.99Å; Y104-P110 HydrophobicContact CE2-CB 3.9Å; Y104-P110 HydrophobicContact CE2-CG 3.63Å; Y104-C113 HydrophobicContact CD1-CB 3.77Å; Y104-C113 HydrophobicContact CG-CB 4.29Å
105T97.9Very high97.3Very high51 Ų5151.1 Ų51.131%0.31328%0.278SS..EExtended strand (participates in β ladder)trans-126.8-179.3-178.652.90000110.8D19 N87 A88 M108D19-T105 HydrophobicContact CB-CG2 4.08Å; N87-T105 CarbonylContact O-C 3.54Å; N87-T105 WeakPolarHBondContact O-CA 3.5Å; A88-T105 HydrophobicContact CB-CG2 4.5Å; T105-M108 WeakPolarHBondContact O-CB 3.28Å; T105-M108 PolarHBondContact O-N 3.28Å; T105-M108 VanDerWaalsContact O-N 3.14Å
106E96.3Very high97.4Very high152 Ų15251.9 Ų51.971%0.7128%0.284SS*.THydrogen-bonded Turntrans-53.8138.1178-168.2177.5175.800111.6N87 M108N87-E106 HydrophobicContact CB-CB 4.39Å; N87-E106 PolarHBondContact O-N 2.95Å; E106-M108 VanDerWaalsContact C-N 3.28Å; E106-M108 PolarHBondContact O-N 2.92Å
107G95.8Very high97.7Very high76 Ų7646.1 Ų46.178%0.78426%0.258SS*.THydrogen-bonded Turntrans83.8-8.7-175.600000115.2
108M97.9Very high97.9Very high43 Ų4344.6 Ų44.621%0.21225%0.249CC..SBendtrans-91.2155.4170.7-60.8-173.3173.300111.9H17 D19 T105 E106 P110H17-M108 VanDerWaalsContact C-SD 3.53Å; H17-M108 HydrophobicContact CB-CB 4.46Å; D19-M108 HydrophobicContact CB-CE 3.87Å; D19-M108 HydrophobicContact CB-SD 3.99Å; T105-M108 WeakPolarHBondContact O-CB 3.28Å; T105-M108 PolarHBondContact O-N 3.28Å; T105-M108 VanDerWaalsContact O-N 3.14Å; E106-M108 VanDerWaalsContact C-N 3.28Å; E106-M108 PolarHBondContact O-N 2.92Å; M108-P110 WeakPolarHBondContact O-CD 3.38Å
109Y97.9Very high98Very high147 Ų14746.5 Ų46.558%0.57627%0.267SS*.  trans-89.1114.1174.4-64.6-63.3000111H17 S111 V112 C113H17-Y109 AromaticContact CE1-CD2 3.23Å; H17-Y109 WeakPolarHBondContact CE1-CD2 3.32Å; H17-Y109 AromaticContact CE1-CE2 3.73Å; H17-Y109 AromaticContact ND1-CD2 3.73Å; H17-Y109 PolarHBondContact ND1-N 2.87Å; H17-Y109 AromaticContact NE2-CD2 3.56Å; Y109-S111 PolarHBondContact O-N 2.8Å; Y109-V112 PolarHBondContact O-N 2.65Å; Y109-V112 VanDerWaalsContact O-N 3.16Å; Y109-C113 PolarHBondContact O-N 3.31Å
110P97.9Very high98Very high59 Ų5947.1 Ų47.138%0.38327%0.27SS..Hα-helixtrans-59.3-33.8179.5-25.936.1000113.3Y104 M108 V112 C113 V114Y104-P110 HydrophobicContact CD2-CB 4.45Å; Y104-P110 HydrophobicContact CD2-CG 4.14Å; Y104-P110 HydrophobicContact CE1-CB 3.99Å; Y104-P110 HydrophobicContact CE2-CB 3.9Å; Y104-P110 HydrophobicContact CE2-CG 3.63Å; M108-P110 WeakPolarHBondContact O-CD 3.38Å; P110-V112 VanDerWaalsContact C-N 3.35Å; P110-V112 PolarHBondContact O-N 2.97Å; P110-C113 PolarHBondContact O-N 3.38Å; P110-V114 WeakPolarHBondContact O-CG2 3.42Å; P110-V114 PolarHBondContact O-N 3.28Å
111S97.8Very high98Very high81 Ų8147.1 Ų47.157%0.56627%0.27SS*.Hα-helixtrans-60.9-42.5178500000112.2Y109 V114 E115Y109-S111 PolarHBondContact O-N 2.8Å; S111-V114 PolarHBondContact O-N 3Å; S111-E115 WeakPolarHBondContact O-CB 3.23Å; S111-E115 PolarHBondContact O-N 3.42Å
112V98.4Very high97.9Very high43 Ų4350.5 Ų50.526%0.26129%0.288SS..Hα-helixtrans-68.7-40.5179.1-177.50000110.8H17 Y109 P110 V114 E115 A116H17-V112 HydrophobicContact CB-CB 3.81Å; H17-V112 HydrophobicContact CB-CG1 3.81Å; Y109-V112 PolarHBondContact O-N 2.65Å; Y109-V112 VanDerWaalsContact O-N 3.16Å; P110-V112 VanDerWaalsContact C-N 3.35Å; P110-V112 PolarHBondContact O-N 2.97Å; V112-V114 VanDerWaalsContact C-N 3.35Å; V112-V114 PolarHBondContact O-N 3.32Å; V112-E115 PolarHBondContact O-N 3.25Å; V112-A116 VanDerWaalsContact O-CB 3.28Å; V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.23Å
113C98.6Very high97.7Very high0 Ų056 Ų560%031%0.31CS..Hα-helixtrans-58.6-47.2173.9-175.10000111.3H17 V18 Y104 Y109 P110 T117H17-C113 WeakPolarHBondContact O-CB 3.37Å; V18-C113 HydrophobicContact CG2-CB 4.39Å; Y104-C113 HydrophobicContact CD1-CB 3.77Å; Y104-C113 HydrophobicContact CG-CB 4.29Å; Y109-C113 PolarHBondContact O-N 3.31Å; P110-C113 PolarHBondContact O-N 3.38Å; C113-T117 WeakPolarHBondContact O-CB 3.46Å; C113-T117 PolarHBondContact O-N 3.36Å; C113-T117 PolarHBondContact O-OG1 3.06Å
114V98.6Very high97.4Very high37 Ų3756 Ų5622%0.22431%0.309CS..Hα-helixtrans-61-52177.5169.10000111Y82 V91 P110 S111 V112 A116 T117 E118Y82-V114 HydrophobicContact CD2-CG2 4.35Å; Y82-V114 HydrophobicContact CE2-CG1 3.9Å; Y82-V114 HydrophobicContact CE2-CG2 4.26Å; V91-V114 HydrophobicContact CG1-CG2 4.37Å; V91-V114 HydrophobicContact CG2-CG2 3.68Å; P110-V114 WeakPolarHBondContact O-CG2 3.42Å; P110-V114 PolarHBondContact O-N 3.28Å; S111-V114 PolarHBondContact O-N 3Å; V112-V114 VanDerWaalsContact C-N 3.35Å; V112-V114 PolarHBondContact O-N 3.32Å; V114-A116 PolarHBondContact O-N 3.28Å; V114-T117 PolarHBondContact O-N 2.83Å; V114-E118 HydrophobicContact CG1-CG 4.26Å; V114-E118 WeakPolarHBondContact O-CB 3.42Å; V114-E118 WeakPolarHBondContact O-CG 3.39Å; V114-E118 PolarHBondContact O-N 3.32Å
115E98.5Very high97.2Very high133 Ų13356.5 Ų56.562%0.62131%0.311SS*.Hα-helixtrans-59.6-46.5-177.7-177.2176.4-177.900112.2S111 V112 S119S111-E115 WeakPolarHBondContact O-CB 3.23Å; S111-E115 PolarHBondContact O-N 3.42Å; V112-E115 PolarHBondContact O-N 3.25Å; E115-S119 VanDerWaalsContact O-CB 3.23Å; E115-S119 WeakPolarHBondContact O-CB 3.4Å; E115-S119 PolarHBondContact O-N 3.36Å; E115-S119 PolarHBondContact O-OG 3.14Å
116A98.5Very high97Very high20 Ų2062.6 Ų62.617%0.16533%0.333CS..Hα-helixtrans-63.5-44.2179.200000112L12 T15 V112 V114 S119 L120L12-A116 HydrophobicContact CD2-CB 3.98Å; T15-A116 HydrophobicContact CG2-CB 3.83Å; V112-A116 VanDerWaalsContact O-CB 3.28Å; V112-A116 WeakPolarHBondContact O-CB 3.48Å; V112-A116 PolarHBondContact O-N 3.23Å; V114-A116 PolarHBondContact O-N 3.28Å; A116-S119 PolarHBondContact O-N 2.83Å; A116-L120 WeakPolarHBondContact O-CB 3.32Å; A116-L120 PolarHBondContact O-N 3.02Å
117T98.6Very high96.5Very high0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-68.9-43.3-178.5-49.50000111.4V91 V93 L100 A102 C113 V114 L120 G121V91-T117 HydrophobicContact CG1-CG2 3.92Å; V93-T117 HydrophobicContact CB-CG2 4.25Å; V93-T117 HydrophobicContact CG2-CG2 3.65Å; L100-T117 HydrophobicContact CD2-CG2 3.67Å; L100-T117 WeakPolarHBondContact CD2-O 3.37Å; L100-T117 HydrophobicContact CG-CG2 3.86Å; A102-T117 HydrophobicContact CB-CG2 3.95Å; A102-T117 WeakPolarHBondContact CB-OG1 3.5Å; C113-T117 WeakPolarHBondContact O-CB 3.46Å; C113-T117 PolarHBondContact O-N 3.36Å; C113-T117 PolarHBondContact O-OG1 3.06Å; V114-T117 PolarHBondContact O-N 2.83Å; T117-L120 PolarHBondContact O-N 3.3Å; T117-G121 PolarHBondContact O-N 3.38Å
118E98.4Very high95Very high27 Ų2761.2 Ų61.213%0.12632%0.32CS..Hα-helixtrans-64.6-43.3175.7-71.7-68.5177.900111.8S80 Y82 V93 V114 L120 G121 D122 R125S80-E118 VanDerWaalsContact CB-OE1 3.29Å; S80-E118 WeakPolarHBondContact CB-OE1 3.38Å; S80-E118 PolarHBondContact OG-OE1 2.72Å; Y82-E118 WeakPolarHBondContact CE1-OE1 3.23Å; Y82-E118 PolarHBondContact OH-OE1 3.48Å; V93-E118 WeakPolarHBondContact CG1-OE2 3.45Å; V93-E118 VanDerWaalsContact CG2-CD 3.48Å; V93-E118 HydrophobicContact CG2-CG 4.11Å; V114-E118 HydrophobicContact CG1-CG 4.26Å; V114-E118 WeakPolarHBondContact O-CB 3.42Å; V114-E118 WeakPolarHBondContact O-CG 3.39Å; V114-E118 PolarHBondContact O-N 3.32Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.03Å; E118-G121 PolarHBondContact O-N 3.08Å; E118-G121 VanDerWaalsContact O-N 3.17Å; E118-D122 WeakPolarHBondContact O-CB 3.49Å; E118-D122 PolarHBondContact O-N 3.39Å; E118-R125 IonicContact OE2-NH2 2.7Å
119S97.8Very high93Very high69 Ų6961.1 Ų61.148%0.48332%0.323SS..Hα-helixtrans-59.9-43.1178.5-62.90000111.9E115 A116 Y123E115-S119 VanDerWaalsContact O-CB 3.23Å; E115-S119 WeakPolarHBondContact O-CB 3.4Å; E115-S119 PolarHBondContact O-N 3.36Å; E115-S119 PolarHBondContact O-OG 3.14Å; A116-S119 PolarHBondContact O-N 2.83Å; S119-Y123 PolarHBondContact O-N 3.44Å
120L96.7Very high92.8Very high15 Ų1556.8 Ų56.88%0.07931%0.31CS..Hα-helixtrans-69.2-40.3175.7-179.757.6000111.8L8 L12 L100 A116 T117 E118 D122 Y123 L124L8-L120 HydrophobicContact CB-CD2 4.33Å; L8-L120 HydrophobicContact CD2-CD1 3.81Å; L12-L120 HydrophobicContact CD1-CD2 3.98Å; L12-L120 HydrophobicContact CD2-CB 4.24Å; L12-L120 HydrophobicContact CD2-CD2 3.92Å; L12-L120 HydrophobicContact CG-CD2 3.77Å; L100-L120 HydrophobicContact CD1-CD2 4.1Å; L100-L120 HydrophobicContact CD2-CB 3.8Å; L100-L120 HydrophobicContact CD2-CD2 3.72Å; L100-L120 HydrophobicContact CD2-CG 3.73Å; A116-L120 WeakPolarHBondContact O-CB 3.32Å; A116-L120 PolarHBondContact O-N 3.02Å; T117-L120 PolarHBondContact O-N 3.3Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.03Å; L120-D122 PolarHBondContact O-N 3.27Å; L120-Y123 HydrophobicContact CD1-CD1 4.27Å; L120-Y123 WeakPolarHBondContact O-CB 3.34Å; L120-Y123 PolarHBondContact O-N 2.92Å; L120-L124 HydrophobicContact CD1-CG 4.44Å; L120-L124 HydrophobicContact CG-CD1 4.41Å; L120-L124 WeakPolarHBondContact O-CG 3.42Å; L120-L124 PolarHBondContact O-N 2.98Å
121G97.3Very high92.5Very high0 Ų056.7 Ų56.70%031%0.307CS..Hα-helixtrans-59.4-44.2174.300000112.7T117 E118 L124 R125T117-G121 PolarHBondContact O-N 3.38Å; E118-G121 PolarHBondContact O-N 3.08Å; E118-G121 VanDerWaalsContact O-N 3.17Å; G121-L124 PolarHBondContact O-N 3.23Å; G121-R125 WeakPolarHBondContact O-CG 3.35Å; G121-R125 PolarHBondContact O-N 3.43Å
122D96.8Very high92.2Very high72 Ų7255.3 Ų55.339%0.38529%0.292SS..Hα-helixtrans-61.7-43.2174.4-86.8-17.2000112.6E118 L120 L124 R125 K126E118-D122 WeakPolarHBondContact O-CB 3.49Å; E118-D122 PolarHBondContact O-N 3.39Å; L120-D122 PolarHBondContact O-N 3.27Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.34Å; D122-R125 PolarHBondContact O-N 3.2Å; D122-R125 IonicContact OD1-CZ 3.17Å; D122-R125 IonicContact OD1-NE 3.37Å; D122-R125 PolarHBondContact OD1-NE 3.19Å; D122-R125 IonicContact OD1-NH2 2.77Å; D122-R125 PolarHBondContact OD1-NH2 2.96Å; D122-K126 WeakPolarHBondContact O-CG 2.98Å; D122-K126 PolarHBondContact O-N 3.34Å
123Y94.9Very high91.8Very high116 Ų11656.1 Ų56.146%0.45529%0.294SS..Hα-helixtrans-58.6-46.5174.9172.5-97.8000111.4S119 L120 K126 K127S119-Y123 PolarHBondContact O-N 3.44Å; L120-Y123 HydrophobicContact CD1-CD1 4.27Å; L120-Y123 WeakPolarHBondContact O-CB 3.34Å; L120-Y123 PolarHBondContact O-N 2.92Å; Y123-K126 PolarHBondContact O-N 2.67Å; Y123-K127 HydrophobicContact CD2-CG 4.39Å; Y123-K127 HydrophobicContact CE1-CG 4.09Å; Y123-K127 HydrophobicContact CE2-CD 4.42Å; Y123-K127 HydrophobicContact CE2-CG 3.91Å; Y123-K127 WeakPolarHBondContact O-CG 3.2Å; Y123-K127 PolarHBondContact O-N 3.13Å; Y123-K127 WeakPolarHBondContact OH-CE 3.23Å
124L93.2Very high91.4Very high8 Ų859.6 Ų59.64%0.04231%0.312CS..Hα-helixtrans-64.4-41.8179-70.5174.2000112.3L8 L23 T95 L120 G121 D122 K126 K127 G128 S129L8-L124 HydrophobicContact CD1-CD2 4.03Å; L23-L124 HydrophobicContact CD1-CD1 4.27Å; T95-L124 HydrophobicContact CG2-CB 3.82Å; T95-L124 HydrophobicContact CG2-CD1 4.11Å; L120-L124 HydrophobicContact CD1-CG 4.44Å; L120-L124 HydrophobicContact CG-CD1 4.41Å; L120-L124 WeakPolarHBondContact O-CG 3.42Å; L120-L124 PolarHBondContact O-N 2.98Å; G121-L124 PolarHBondContact O-N 3.23Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.34Å; L124-K126 PolarHBondContact O-N 3.5Å; L124-K127 PolarHBondContact O-N 3.15Å; L124-G128 PolarHBondContact O-N 3.33Å; L124-S129 PolarHBondContact O-N 2.85Å
125R94.4Very high90.9Very high37 Ų3761.1 Ų61.114%0.1432%0.318CS..Hα-helixtrans-57.3-49.1173.5-75-175.7-77.1-1095.8111.3V93 K94 T95 H96 E118 G121 D122 K127 G128V93-R125 VanDerWaalsContact CG1-NH1 3.33Å; K94-R125 PolarHBondContact O-NH1 3.09Å; T95-R125 HydrophobicContact CG2-CG 4.45Å; H96-R125 PolarHBondContact CD2-O 3.27Å; H96-R125 PolarHBondContact NE2-O 3.44Å; E118-R125 IonicContact OE2-NH2 2.7Å; G121-R125 WeakPolarHBondContact O-CG 3.35Å; G121-R125 PolarHBondContact O-N 3.43Å; D122-R125 PolarHBondContact O-N 3.2Å; D122-R125 IonicContact OD1-CZ 3.17Å; D122-R125 IonicContact OD1-NE 3.37Å; D122-R125 PolarHBondContact OD1-NE 3.19Å; D122-R125 IonicContact OD1-NH2 2.77Å; D122-R125 PolarHBondContact OD1-NH2 2.96Å; R125-K127 VanDerWaalsContact C-N 3.31Å; R125-K127 PolarHBondContact O-N 3.14Å; R125-G128 PolarHBondContact O-N 3.18Å
126K93.3Very high90.4Very high179 Ų17955.9 Ų55.978%0.77830%0.297SS*.Hα-helixtrans-64.1-32180-72.7171.7-177.5170.90113.6D122 Y123 L124 G128D122-K126 WeakPolarHBondContact O-CG 2.98Å; D122-K126 PolarHBondContact O-N 3.34Å; Y123-K126 PolarHBondContact O-N 2.67Å; L124-K126 PolarHBondContact O-N 3.5Å; K126-G128 VanDerWaalsContact C-N 3.26Å; K126-G128 PolarHBondContact O-N 3.1Å
127K85.9Confident89.8Confident141 Ų14158.7 Ų58.761%0.61331%0.307SS*.THydrogen-bonded Turntrans-80.1-2.5179.2-72.7-69.5-176.3179.70114Y123 L124 R125 S129Y123-K127 HydrophobicContact CD2-CG 4.39Å; Y123-K127 HydrophobicContact CE1-CG 4.09Å; Y123-K127 HydrophobicContact CE2-CD 4.42Å; Y123-K127 HydrophobicContact CE2-CG 3.91Å; Y123-K127 WeakPolarHBondContact O-CG 3.2Å; Y123-K127 PolarHBondContact O-N 3.13Å; Y123-K127 WeakPolarHBondContact OH-CE 3.23Å; L124-K127 PolarHBondContact O-N 3.15Å; R125-K127 VanDerWaalsContact C-N 3.31Å; R125-K127 PolarHBondContact O-N 3.14Å; K127-S129 VanDerWaalsContact C-N 3.3Å
128G64.8Low89Confident59 Ų5963.6 Ų63.661%0.60833%0.332SS*.THydrogen-bonded Turntrans71.626.8178.700000113.3L124 R125 K126L124-G128 PolarHBondContact O-N 3.33Å; R125-G128 PolarHBondContact O-N 3.18Å; K126-G128 VanDerWaalsContact C-N 3.26Å; K126-G128 PolarHBondContact O-N 3.1Å
129S55.3Low88.2Confident40 Ų4066.9 Ų66.928%0.2835%0.351SS..  trans-111.60-178.6-179.80000112.8L97 Y98 L124 K127L97-S129 WeakPolarHBondContact CB-OXT 3.42Å; L97-S129 WeakPolarHBondContact CD1-OXT 3.44Å; L97-S129 VanDerWaalsContact CG-C 3.44Å; L97-S129 WeakPolarHBondContact CG-OXT 3.38Å; L97-S129 PolarHBondContact N-O 3.44Å; Y98-S129 WeakPolarHBondContact CD2-OXT 3.36Å; Y98-S129 WeakPolarHBondContact CE2-OG 3.43Å; Y98-S129 WeakPolarHBondContact CE2-OXT 3.37Å; L124-S129 PolarHBondContact O-N 2.85Å; K127-S129 VanDerWaalsContact C-N 3.3Å

Retrieved 129 of 129 residues in 785.2 ms (Link to these results)

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