A0A3Q0KIC3_SCHMA Loading...

Putative profilin splice variant 4

AlphaFold DB (G4VTE3), UniProt , Accession A0A3Q0KIC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 128 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
1M72.6Confident92.3Very high109 Ų10977.7 Ų77.754%0.53737%0.368SS..  0142.30-160175.6-53.600107.9P31 Y32 Q40M1-P31 HydrophobicContact CE-CB 4.15Å; M1-P31 HydrophobicContact CE-CG 4.49Å; M1-Y32 WeakPolarHBondContact CG-O 3.17Å; M1-Q40 HydrophobicContact CE-CG 4.32Å
2S84.5Confident92.8Very high53 Ų5373 Ų7337%0.37135%0.345SS..  trans-88132.4-178.2165.50000110.8E4 W5 K6 Y32S2-E4 PolarHBondContact O-N 2.68Å; S2-E4 PolarHBondContact OG-N 3.17Å; S2-W5 PolarHBondContact O-N 3.43Å; S2-K6 PolarHBondContact O-N 2.85Å; S2-Y32 PolarHBondContact N-O 3.36Å
3E90.5Very high93.1Very high121 Ų12169 Ų6957%0.56533%0.328SS*.Hα-helixtrans-59.9-31.6177.4-76.2-59.9130.600112.7K7E3-K7 WeakPolarHBondContact O-CG 3.45Å; E3-K7 PolarHBondContact O-N 3.46Å
4E94.3Very high93.3Very high110 Ų11070.9 Ų70.951%0.51434%0.342SS..Hα-helixtrans-66.2-45.4177.2-170.3-172.5166.300111.4S2 K7 R8S2-E4 PolarHBondContact O-N 2.68Å; S2-E4 PolarHBondContact OG-N 3.17Å; E4-K7 PolarHBondContact O-N 3.28Å; E4-R8 WeakPolarHBondContact O-CG 3.23Å; E4-R8 PolarHBondContact O-N 3.39Å; E4-R8 IonicContact OE1-CZ 3.43Å; E4-R8 IonicContact OE1-NE 2.9Å; E4-R8 PolarHBondContact OE1-NE 3.25Å; E4-R8 IonicContact OE1-NH2 3.95Å; E4-R8 PolarHBondContact OE1-NH2 3.04Å
5W95.2Very high93.5Very high26 Ų2675.8 Ų75.810%0.09836%0.364CS..Hα-helixtrans-68.4-37179.4-78.695.7000112.2S2 R8 C9 I24 Y32 L95 Y123 Y128S2-W5 PolarHBondContact O-N 3.43Å; W5-R8 PolarHBondContact O-N 2.9Å; W5-C9 PolarHBondContact O-N 3.05Å; W5-C9 PolarHBondContact O-SG 3.06Å; W5-I24 HydrophobicContact CE3-CD1 4.16Å; W5-I24 HydrophobicContact CE3-CG2 4.24Å; W5-I24 HydrophobicContact CZ3-CD1 4.08Å; W5-I24 HydrophobicContact CZ3-CG2 4.02Å; W5-Y32 WeakPolarHBondContact CB-O 3.44Å; W5-Y32 AromaticContact CD2-CD2 3.94Å; W5-Y32 HydrophobicContact CD2-CD2 3.94Å; W5-Y32 HydrophobicContact CD2-CG 4.39Å; W5-Y32 AromaticContact CE2-CD2 3.6Å; W5-Y32 HydrophobicContact CE3-CD2 4.28Å; W5-Y32 HydrophobicContact CH2-CD2 4.02Å; W5-Y32 AromaticContact CZ2-CD2 3.66Å; W5-Y32 HydrophobicContact CZ2-CD2 3.66Å; W5-Y32 HydrophobicContact CZ2-CE2 4.11Å; W5-Y32 HydrophobicContact CZ3-CD2 4.3Å; W5-L95 HydrophobicContact CH2-CD1 3.96Å; W5-L95 HydrophobicContact CZ3-CD1 4.18Å; W5-Y123 HydrophobicContact CH2-CD1 4.25Å; W5-Y123 AromaticContact CH2-CE1 3.57Å; W5-Y123 HydrophobicContact CH2-CE1 3.57Å; W5-Y123 AromaticContact CH2-CZ 3.9Å; W5-Y123 HydrophobicContact CZ3-CD1 4.5Å; W5-Y123 AromaticContact CZ3-CE1 3.6Å; W5-Y123 HydrophobicContact CZ3-CE1 3.6Å; W5-Y123 HydrophobicContact CZ3-CE2 4.13Å; W5-Y123 AromaticContact CZ3-CZ 3.4Å; W5-Y123 WeakPolarHBondContact CZ3-OH 3.31Å; W5-Y128 HydrophobicContact CH2-CD1 4.45Å; W5-Y128 HydrophobicContact CH2-CE1 4.41Å; W5-Y128 HydrophobicContact CZ2-CE1 4.18Å
6K95.5Very high93.6Very high72 Ų7274.3 Ų74.331%0.31336%0.356SS..Hα-helixtrans-58.7-53.9172.3-179.3-179.3169.4-171.90111S2 R8 C9 E10S2-K6 PolarHBondContact O-N 2.85Å; K6-R8 VanDerWaalsContact C-N 3.28Å; K6-R8 PolarHBondContact O-N 3.45Å; K6-C9 WeakPolarHBondContact O-CB 3.37Å; K6-C9 PolarHBondContact O-N 3.21Å; K6-E10 WeakPolarHBondContact CE-OE1 3.17Å; K6-E10 HydrophobicContact CG-CG 4.5Å; K6-E10 IonicContact NZ-OE1 3.16Å; K6-E10 WeakPolarHBondContact O-CG 3.32Å; K6-E10 PolarHBondContact O-N 3.42Å
7K96Very high93.6Very high124 Ų12477.7 Ų77.754%0.53937%0.369SS..Hα-helixtrans-58.3-38.4177.6-76.8-176.4178.5-177.70112.9E3 E4 C9 E10 N11E3-K7 WeakPolarHBondContact O-CG 3.45Å; E3-K7 PolarHBondContact O-N 3.46Å; E4-K7 PolarHBondContact O-N 3.28Å; K7-C9 VanDerWaalsContact C-N 3.33Å; K7-C9 PolarHBondContact O-N 3.27Å; K7-E10 PolarHBondContact O-N 3.29Å; K7-N11 WeakPolarHBondContact O-CB 3.42Å; K7-N11 PolarHBondContact O-N 3.4Å; K7-N11 PolarHBondContact O-OD1 3Å
8R96Very high93.7Very high85 Ų8574.3 Ų74.332%0.32136%0.355SS..Hα-helixtrans-60.5-42.4174.1-74.5176.6-176.6-158.43.2111.9E4 W5 K6 H12E4-R8 WeakPolarHBondContact O-CG 3.23Å; E4-R8 PolarHBondContact O-N 3.39Å; E4-R8 IonicContact OE1-CZ 3.43Å; E4-R8 IonicContact OE1-NE 2.9Å; E4-R8 PolarHBondContact OE1-NE 3.25Å; E4-R8 IonicContact OE1-NH2 3.95Å; E4-R8 PolarHBondContact OE1-NH2 3.04Å; W5-R8 PolarHBondContact O-N 2.9Å; K6-R8 VanDerWaalsContact C-N 3.28Å; K6-R8 PolarHBondContact O-N 3.45Å; R8-H12 WeakPolarHBondContact O-CB 3.48Å; R8-H12 PolarHBondContact O-N 3.47Å; R8-H12 VanDerWaalsContact O-N 3.11Å
9C97.1Very high93.9Very high0 Ų070.4 Ų70.40%034%0.336CS..Hα-helixtrans-67.8-42.8178-62.20000111.8W5 K6 K7 H12 V13 L22W5-C9 PolarHBondContact O-N 3.05Å; W5-C9 PolarHBondContact O-SG 3.06Å; K6-C9 WeakPolarHBondContact O-CB 3.37Å; K6-C9 PolarHBondContact O-N 3.21Å; K7-C9 VanDerWaalsContact C-N 3.33Å; K7-C9 PolarHBondContact O-N 3.27Å; C9-H12 PolarHBondContact O-N 3.11Å; C9-V13 WeakPolarHBondContact O-CG2 3.37Å; C9-V13 PolarHBondContact O-N 3.33Å; C9-V13 VanDerWaalsContact O-N 3.09Å; C9-L22 HydrophobicContact CB-CB 4.45Å; C9-L22 HydrophobicContact CB-CD2 4.13Å; C9-L22 HydrophobicContact CB-CG 4.28Å
10E96.9Very high94Very high62 Ų6272.7 Ų72.729%0.2934%0.344SS..Hα-helixtrans-60.7-52.1177.2-69.7172162.800111.2K6 K7 H12 V13 D14K6-E10 WeakPolarHBondContact CE-OE1 3.17Å; K6-E10 HydrophobicContact CG-CG 4.5Å; K6-E10 IonicContact NZ-OE1 3.16Å; K6-E10 WeakPolarHBondContact O-CG 3.32Å; K6-E10 PolarHBondContact O-N 3.42Å; K7-E10 PolarHBondContact O-N 3.29Å; E10-H12 VanDerWaalsContact C-N 3.32Å; E10-H12 PolarHBondContact O-N 3.23Å; E10-V13 PolarHBondContact O-N 3.01Å; E10-D14 WeakPolarHBondContact O-CB 3.2Å; E10-D14 PolarHBondContact O-N 3.32Å
11N97.2Very high94.1Very high93 Ų9370.7 Ų70.750%0.49734%0.335SS..Hα-helixtrans-59-43178.5-69.3-6000111.9K7 V13 D14 E15K7-N11 WeakPolarHBondContact O-CB 3.42Å; K7-N11 PolarHBondContact O-N 3.4Å; K7-N11 PolarHBondContact O-OD1 3Å; N11-V13 PolarHBondContact O-N 3.17Å; N11-D14 PolarHBondContact O-N 3.02Å; N11-D14 VanDerWaalsContact O-N 3.16Å; N11-E15 WeakPolarHBondContact O-CG 3.36Å; N11-E15 PolarHBondContact O-N 3.07Å
12H97.5Very high95.3Very high21 Ų2165.5 Ų65.510%0.09731%0.309CS..Hα-helixtrans-65.3-38.6-179.2-169.177.2000112.7R8 C9 E10 H16 L22 A115 I119R8-H12 WeakPolarHBondContact O-CB 3.48Å; R8-H12 PolarHBondContact O-N 3.47Å; R8-H12 VanDerWaalsContact O-N 3.11Å; C9-H12 PolarHBondContact O-N 3.11Å; E10-H12 VanDerWaalsContact C-N 3.32Å; E10-H12 PolarHBondContact O-N 3.23Å; H12-H16 AromaticContact CD2-ND1 3.77Å; H12-H16 AromaticContact CE1-CE1 3.24Å; H12-H16 PolarHBondContact CE1-CE1 2.99Å; H12-H16 AromaticContact CE1-ND1 3.27Å; H12-H16 PolarHBondContact CE1-ND1 3.24Å; H12-H16 VanDerWaalsContact CE1-ND1 3.27Å; H12-H16 AromaticContact CG-ND1 3.86Å; H12-H16 AromaticContact ND1-CE1 3.64Å; H12-H16 AromaticContact ND1-ND1 3.58Å; H12-H16 AromaticContact NE2-CE1 3.81Å; H12-H16 AromaticContact NE2-ND1 3.4Å; H12-H16 PolarHBondContact NE2-ND1 3.45Å; H12-H16 WeakPolarHBondContact O-CB 3.22Å; H12-H16 PolarHBondContact O-N 3.26Å; H12-H16 VanDerWaalsContact O-N 3.14Å; H12-H16 PolarHBondContact O-ND1 2.92Å; H12-L22 HydrophobicContact CB-CD2 4.22Å; H12-A115 PolarHBondContact CE1-O 2.55Å; H12-A115 PolarHBondContact NE2-O 2.7Å; H12-I119 HydrophobicContact CB-CD1 4.35Å
13V96.8Very high96Very high21 Ų2163 Ų6313%0.12729%0.292CS..Hα-helixtrans-67.9-37.7173160.50000111C9 E10 N11 H16 L19 L22C9-V13 WeakPolarHBondContact O-CG2 3.37Å; C9-V13 PolarHBondContact O-N 3.33Å; C9-V13 VanDerWaalsContact O-N 3.09Å; E10-V13 PolarHBondContact O-N 3.01Å; N11-V13 PolarHBondContact O-N 3.17Å; V13-H16 CarbonylContact O-C 3.52Å; V13-H16 PolarHBondContact O-N 3.25Å; V13-L19 WeakPolarHBondContact CG1-O 3.25Å; V13-L19 HydrophobicContact CG2-CD2 4.08Å; V13-L19 HydrophobicContact CG2-CG 4.15Å; V13-L22 HydrophobicContact CG2-CB 3.86Å
14D96.2Very high96.3Very high96 Ų9657.2 Ų57.251%0.51327%0.265SS..Hα-helixtrans-67.6-35.9178.3-93.7-28.2000113.5E10 N11 H16 K17E10-D14 WeakPolarHBondContact O-CB 3.2Å; E10-D14 PolarHBondContact O-N 3.32Å; N11-D14 PolarHBondContact O-N 3.02Å; N11-D14 VanDerWaalsContact O-N 3.16Å; D14-H16 VanDerWaalsContact C-N 3.34Å; D14-K17 WeakPolarHBondContact O-CD 3.38Å; D14-K17 WeakPolarHBondContact O-CE 3.26Å; D14-K17 PolarHBondContact O-NZ 2.95Å; D14-K17 IonicContact OD1-NZ 2.9Å; D14-K17 PolarHBondContact OD1-NZ 3.07Å
15E96.2Very high96.4Very high144 Ų14452 Ų5267%0.67324%0.24SC*.Hα-helixtrans-72.3-28.2173.7-71.3172-172.500112.3N11N11-E15 WeakPolarHBondContact O-CG 3.36Å; N11-E15 PolarHBondContact O-N 3.07Å
16H96Very high96.5Very high52 Ų5252.3 Ų52.324%0.24124%0.244CC..  trans-120.777.7-177.1-57108.9000112H12 V13 D14 S18 L19 A115H12-H16 AromaticContact CD2-ND1 3.77Å; H12-H16 AromaticContact CE1-CE1 3.24Å; H12-H16 PolarHBondContact CE1-CE1 2.99Å; H12-H16 AromaticContact CE1-ND1 3.27Å; H12-H16 PolarHBondContact CE1-ND1 3.24Å; H12-H16 VanDerWaalsContact CE1-ND1 3.27Å; H12-H16 AromaticContact CG-ND1 3.86Å; H12-H16 AromaticContact ND1-CE1 3.64Å; H12-H16 AromaticContact ND1-ND1 3.58Å; H12-H16 AromaticContact NE2-CE1 3.81Å; H12-H16 AromaticContact NE2-ND1 3.4Å; H12-H16 PolarHBondContact NE2-ND1 3.45Å; H12-H16 WeakPolarHBondContact O-CB 3.22Å; H12-H16 PolarHBondContact O-N 3.26Å; H12-H16 VanDerWaalsContact O-N 3.14Å; H12-H16 PolarHBondContact O-ND1 2.92Å; V13-H16 CarbonylContact O-C 3.52Å; V13-H16 PolarHBondContact O-N 3.25Å; D14-H16 VanDerWaalsContact C-N 3.34Å; H16-S18 PolarHBondContact O-N 2.98Å; H16-L19 HydrophobicContact CB-CB 4.38Å; H16-L19 WeakPolarHBondContact O-CB 3.2Å; H16-L19 PolarHBondContact O-N 3.49Å; H16-A115 HydrophobicContact CB-CB 3.48Å; H16-A115 VanDerWaalsContact CB-CB 3.48Å
17K93.2Very high96.5Very high132 Ų13250.9 Ų50.957%0.57424%0.239SC*.THydrogen-bonded Turntrans-55.1-20.8-174.4-61.4-53-170-156.20115.9D14 L19D14-K17 WeakPolarHBondContact O-CD 3.38Å; D14-K17 WeakPolarHBondContact O-CE 3.26Å; D14-K17 PolarHBondContact O-NZ 2.95Å; D14-K17 IonicContact OD1-NZ 2.9Å; D14-K17 PolarHBondContact OD1-NZ 3.07Å; K17-L19 VanDerWaalsContact C-N 3.33Å
18S95.4Very high96.5Very high16 Ų1651.1 Ų51.111%0.11224%0.241CC..THydrogen-bonded Turntrans-76.6-18.1174.8-530000114.2H16 T101 N107 P111H16-S18 PolarHBondContact O-N 2.98Å; S18-T101 WeakPolarHBondContact O-CB 3.22Å; S18-T101 WeakPolarHBondContact O-CG2 3.41Å; S18-N107 WeakPolarHBondContact CA-OD1 3.21Å; S18-N107 PolarHBondContact N-OD1 2.83Å; S18-N107 PolarHBondContact OG-OD1 2.76Å; S18-P111 VanDerWaalsContact OG-CG 3.27Å; S18-P111 WeakPolarHBondContact OG-CG 3.32Å
19L96.5Very high96.5Very high1 Ų147 Ų471%0.00523%0.226CC..  trans-91110.2169.9-175.266.5000108.2V13 H16 K17 H21 L22 T101 A115 M116V13-L19 WeakPolarHBondContact CG1-O 3.25Å; V13-L19 HydrophobicContact CG2-CD2 4.08Å; V13-L19 HydrophobicContact CG2-CG 4.15Å; H16-L19 HydrophobicContact CB-CB 4.38Å; H16-L19 WeakPolarHBondContact O-CB 3.2Å; H16-L19 PolarHBondContact O-N 3.49Å; K17-L19 VanDerWaalsContact C-N 3.33Å; L19-H21 WeakPolarHBondContact CD1-O 3.17Å; L19-L22 HydrophobicContact CD2-CB 4.2Å; L19-T101 HydrophobicContact CD1-CG2 4.39Å; L19-A115 HydrophobicContact CB-CB 4.41Å; L19-A115 HydrophobicContact CD2-CB 4.42Å; L19-M116 HydrophobicContact CD1-CG 3.91Å; L19-M116 HydrophobicContact CD1-SD 3.84Å; L19-M116 HydrophobicContact CD2-CG 4.49Å; L19-M116 HydrophobicContact CD2-SD 3.9Å
20K96Very high96.4Very high115 Ų11550.5 Ų50.550%0.525%0.247SC..  trans-79.9-40.3-176.2-173.859.2177.7175.90112.2Q100 I102K20-Q100 WeakPolarHBondContact CA-O 3.28Å; K20-Q100 WeakPolarHBondContact CB-O 3.48Å; K20-Q100 PolarHBondContact N-O 2.97Å; K20-I102 HydrophobicContact CB-CG1 4.33Å; K20-I102 HydrophobicContact CG-CD1 4.07Å; K20-I102 HydrophobicContact CG-CG1 4.4Å
21H97.3Very high96.3Very high31 Ų3149.9 Ų49.914%0.14425%0.248CC..EExtended strand (participates in β ladder)trans-139.1151.6178.6-54.5125.2000111.4L19 S35 F39 G99 Q100L19-H21 WeakPolarHBondContact CD1-O 3.17Å; H21-S35 WeakPolarHBondContact CA-OG 3.47Å; H21-F39 HydrophobicContact CB-CB 3.71Å; H21-F39 HydrophobicContact CB-CD1 3.39Å; H21-F39 HydrophobicContact CB-CD2 3.87Å; H21-F39 HydrophobicContact CB-CE1 3.92Å; H21-F39 HydrophobicContact CB-CE2 4.35Å; H21-F39 HydrophobicContact CB-CG 3.36Å; H21-F39 HydrophobicContact CB-CZ 4.37Å; H21-F39 AromaticContact CG-CD2 3.94Å; H21-F39 AromaticContact CG-CG 3.69Å; H21-F39 AromaticContact ND1-CD2 3.63Å; H21-F39 AromaticContact ND1-CG 3.87Å; H21-G99 CarbonylContact O-C 3.55Å; H21-G99 VanDerWaalsContact O-CA 3.3Å; H21-G99 WeakPolarHBondContact O-CA 3.34Å; H21-Q100 HydrophobicContact CB-CB 4.13Å; H21-Q100 PolarHBondContact CE1-OE1 2.87Å; H21-Q100 PolarHBondContact N-O 2.96Å; H21-Q100 PolarHBondContact ND1-OE1 3.43Å; H21-Q100 PolarHBondContact O-N 2.99Å
22L98Very high96.2Very high0 Ų048.9 Ų48.90%024%0.238CC..EExtended strand (participates in β ladder)trans-137.7130.9173.7172.861000109.2C9 H12 V13 L19 I24 S34 S35 V98 M116 I119C9-L22 HydrophobicContact CB-CB 4.45Å; C9-L22 HydrophobicContact CB-CD2 4.13Å; C9-L22 HydrophobicContact CB-CG 4.28Å; H12-L22 HydrophobicContact CB-CD2 4.22Å; V13-L22 HydrophobicContact CG2-CB 3.86Å; L19-L22 HydrophobicContact CD2-CB 4.2Å; L22-I24 HydrophobicContact CD1-CG1 4.23Å; L22-I24 HydrophobicContact CD2-CD1 4.43Å; L22-I24 HydrophobicContact CG-CG1 4.27Å; L22-S34 CarbonylContact O-C 3.58Å; L22-S34 VanDerWaalsContact O-CA 3.3Å; L22-S34 WeakPolarHBondContact O-CA 3.32Å; L22-S35 PolarHBondContact N-OG 2.86Å; L22-S35 PolarHBondContact O-N 3.47Å; L22-V98 CarbonylContact C-O 3.48Å; L22-V98 WeakPolarHBondContact CA-O 3.47Å; L22-M116 HydrophobicContact CD1-CE 4.01Å; L22-M116 HydrophobicContact CD1-SD 3.77Å; L22-I119 HydrophobicContact CD2-CD1 3.55Å
23H97.8Very high96.2Very high1 Ų147.9 Ų47.91%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-126.8132.4172.8-160.2106.8000109.7T25 P31 F39 L41 V98H23-T25 VanDerWaalsContact CD2-CG2 3.42Å; H23-T25 WeakPolarHBondContact CD2-CG2 2.95Å; H23-P31 WeakPolarHBondContact NE2-CB 3.12Å; H23-F39 HydrophobicContact CB-CD1 4.01Å; H23-F39 HydrophobicContact CB-CE1 4.1Å; H23-F39 PolarHBondContact ND1-O 3.27Å; H23-L41 HydrophobicContact CB-CD1 4.11Å; H23-L41 HydrophobicContact CB-CG 4.25Å; H23-L41 PolarHBondContact CE1-N 3.49Å; H23-L41 PolarHBondContact ND1-N 2.83Å; H23-V98 HydrophobicContact CB-CB 4.48Å; H23-V98 PolarHBondContact N-O 3.37Å; H23-V98 PolarHBondContact O-N 3.29Å
24I97.5Very high96.2Very high0 Ų047 Ų470%023%0.229CC..EExtended strand (participates in β ladder)trans-119.2126.7179.3-57.8-175000108.8W5 L22 Y32 G33 L95 C96 L97 I119 Y123W5-I24 HydrophobicContact CE3-CD1 4.16Å; W5-I24 HydrophobicContact CE3-CG2 4.24Å; W5-I24 HydrophobicContact CZ3-CD1 4.08Å; W5-I24 HydrophobicContact CZ3-CG2 4.02Å; L22-I24 HydrophobicContact CD1-CG1 4.23Å; L22-I24 HydrophobicContact CD2-CD1 4.43Å; L22-I24 HydrophobicContact CG-CG1 4.27Å; I24-Y32 PolarHBondContact O-N 2.91Å; I24-G33 PolarHBondContact N-O 3.09Å; I24-G33 PolarHBondContact O-N 3.25Å; I24-L95 HydrophobicContact CG2-CB 4.38Å; I24-L95 HydrophobicContact CG2-CD1 4.02Å; I24-L95 HydrophobicContact CG2-CD2 4.28Å; I24-L95 HydrophobicContact CG2-CG 4.47Å; I24-C96 WeakPolarHBondContact CA-O 3.48Å; I24-L97 HydrophobicContact CB-CD2 4.17Å; I24-L97 HydrophobicContact CD1-CD2 3.88Å; I24-L97 HydrophobicContact CG1-CD2 3.65Å; I24-L97 HydrophobicContact CG2-CD2 3.79Å; I24-I119 HydrophobicContact CD1-CD1 4.17Å; I24-Y123 HydrophobicContact CD1-CE2 3.75Å
25T97.2Very high96.2Very high0 Ų043.3 Ų43.30%021%0.21CC..EExtended strand (participates in β ladder)trans-127.7168.9172.871.80000111.1H23 T30 V46 L95 C96H23-T25 VanDerWaalsContact CD2-CG2 3.42Å; H23-T25 WeakPolarHBondContact CD2-CG2 2.95Å; T25-T30 CarbonylContact C-O 3.56Å; T25-T30 WeakPolarHBondContact CA-O 3.15Å; T25-T30 VanDerWaalsContact CB-O 3.26Å; T25-T30 WeakPolarHBondContact CB-O 3.26Å; T25-V46 HydrophobicContact CG2-CG2 3.97Å; T25-V46 WeakPolarHBondContact OG1-CG1 3.5Å; T25-L95 CarbonylContact O-C 3.59Å; T25-L95 VanDerWaalsContact O-CA 3.24Å; T25-L95 WeakPolarHBondContact O-CA 3.03Å; T25-L95 WeakPolarHBondContact O-CB 3.41Å; T25-C96 PolarHBondContact N-O 3.01Å; T25-C96 PolarHBondContact O-N 3.3Å; T25-C96 WeakPolarHBondContact OG1-CB 3.44Å
26D96.6Very high96.1Very high33 Ų3337.3 Ų37.318%0.17618%0.184CC..EExtended strand (participates in β ladder)trans-72-178.615771.116.9000111.6Q28 G29 T30 Y32 K94D26-Q28 PolarHBondContact O-N 3.35Å; D26-Q28 WeakPolarHBondContact OD1-CA 3.4Å; D26-Q28 WeakPolarHBondContact OD1-CB 3.46Å; D26-Q28 PolarHBondContact OD1-N 2.82Å; D26-G29 PolarHBondContact O-N 3.26Å; D26-G29 VanDerWaalsContact O-N 3.15Å; D26-G29 PolarHBondContact OD1-N 2.83Å; D26-T30 VanDerWaalsContact CG-CB 3.47Å; D26-T30 PolarHBondContact N-O 2.9Å; D26-T30 WeakPolarHBondContact OD1-CB 3.45Å; D26-T30 PolarHBondContact OD1-N 2.94Å; D26-T30 PolarHBondContact OD1-OG1 3.16Å; D26-T30 WeakPolarHBondContact OD2-CB 3.3Å; D26-T30 PolarHBondContact OD2-OG1 2.88Å; D26-Y32 HydrophobicContact CB-CE1 4.08Å; D26-K94 WeakPolarHBondContact CA-O 3.07Å
27H96Very high95.7Very high42 Ų4239.3 Ų39.319%0.19420%0.201CC..THydrogen-bonded Turntrans-70-9.6178.7-83.7-152.7000115.8K50 T92 P93 K94 L95H27-K50 PolarHBondContact ND1-NZ 2.72Å; H27-K50 PolarHBondContact O-NZ 2.86Å; H27-T92 PolarHBondContact CE1-O 2.75Å; H27-T92 PolarHBondContact NE2-O 2.81Å; H27-P93 PolarHBondContact CE1-O 2.97Å; H27-K94 PolarHBondContact CD2-O 2.92Å; H27-K94 VanDerWaalsContact CD2-O 3.24Å; H27-K94 PolarHBondContact N-O 3.36Å; H27-L95 PolarHBondContact NE2-O 3.23Å
28Q95.7Very high95.5Very high128 Ų12839.1 Ų39.160%0.59821%0.207SC*.THydrogen-bonded Turntrans-98.8-3.1174.5-56-56.6-30.400111.9D26D26-Q28 PolarHBondContact O-N 3.35Å; D26-Q28 WeakPolarHBondContact OD1-CA 3.4Å; D26-Q28 WeakPolarHBondContact OD1-CB 3.46Å; D26-Q28 PolarHBondContact OD1-N 2.82Å
29G95.4Very high95.4Very high0 Ų038.5 Ų38.50%020%0.202CC..  trans87.510-177.800000114D26 P31D26-G29 PolarHBondContact O-N 3.26Å; D26-G29 VanDerWaalsContact O-N 3.15Å; D26-G29 PolarHBondContact OD1-N 2.83Å; G29-P31 WeakPolarHBondContact O-CD 3.48Å
30T95.8Very high95.1Very high72 Ų7244 Ų4444%0.44223%0.228SC..  trans-67.9121.1174.3-46.70000109.6T25 D26 Y32T25-T30 CarbonylContact C-O 3.56Å; T25-T30 WeakPolarHBondContact CA-O 3.15Å; T25-T30 VanDerWaalsContact CB-O 3.26Å; T25-T30 WeakPolarHBondContact CB-O 3.26Å; D26-T30 VanDerWaalsContact CG-CB 3.47Å; D26-T30 PolarHBondContact N-O 2.9Å; D26-T30 WeakPolarHBondContact OD1-CB 3.45Å; D26-T30 PolarHBondContact OD1-N 2.94Å; D26-T30 PolarHBondContact OD1-OG1 3.16Å; D26-T30 WeakPolarHBondContact OD2-CB 3.3Å; D26-T30 PolarHBondContact OD2-OG1 2.88Å; T30-Y32 PolarHBondContact O-N 3.45Å
31P95Very high95Very high49 Ų4939 Ų3932%0.31821%0.206SC..EExtended strand (participates in β ladder)trans-75.8129-173.129.9-35.7000112.5M1 H23 G29M1-P31 HydrophobicContact CE-CB 4.15Å; M1-P31 HydrophobicContact CE-CG 4.49Å; H23-P31 WeakPolarHBondContact NE2-CB 3.12Å; G29-P31 WeakPolarHBondContact O-CD 3.48Å
32Y95.1Very high94.9Very high73 Ų7340 Ų4029%0.28622%0.217SC..EExtended strand (participates in β ladder)trans-92.7-49.7173.1-7922.8000110.3M1 S2 W5 I24 D26 T30 L95M1-Y32 WeakPolarHBondContact CG-O 3.17Å; S2-Y32 PolarHBondContact N-O 3.36Å; W5-Y32 WeakPolarHBondContact CB-O 3.44Å; W5-Y32 AromaticContact CD2-CD2 3.94Å; W5-Y32 HydrophobicContact CD2-CD2 3.94Å; W5-Y32 HydrophobicContact CD2-CG 4.39Å; W5-Y32 AromaticContact CE2-CD2 3.6Å; W5-Y32 HydrophobicContact CE3-CD2 4.28Å; W5-Y32 HydrophobicContact CH2-CD2 4.02Å; W5-Y32 AromaticContact CZ2-CD2 3.66Å; W5-Y32 HydrophobicContact CZ2-CD2 3.66Å; W5-Y32 HydrophobicContact CZ2-CE2 4.11Å; W5-Y32 HydrophobicContact CZ3-CD2 4.3Å; I24-Y32 PolarHBondContact O-N 2.91Å; D26-Y32 HydrophobicContact CB-CE1 4.08Å; T30-Y32 PolarHBondContact O-N 3.45Å; Y32-L95 HydrophobicContact CD2-CD2 3.83Å; Y32-L95 HydrophobicContact CE2-CD2 3.58Å
33G95.9Very high94.8Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-158.8153.8-178.600000112.7I24I24-G33 PolarHBondContact N-O 3.09Å; I24-G33 PolarHBondContact O-N 3.25Å
34S97Very high94.8Very high3 Ų348.6 Ų48.62%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-138142.7172-177.60000109.1L22 S36 F39L22-S34 CarbonylContact O-C 3.58Å; L22-S34 VanDerWaalsContact O-CA 3.3Å; L22-S34 WeakPolarHBondContact O-CA 3.32Å; S34-S36 PolarHBondContact O-N 3.35Å; S34-S36 PolarHBondContact OG-N 2.96Å; S34-S36 PolarHBondContact OG-O 3.24Å; S34-F39 PolarHBondContact OG-O 2.93Å; S34-F39 VanDerWaalsContact OG-O 3.09Å
35S96.6Very high94.7Very high17 Ų1749.5 Ų49.512%0.11927%0.266CS..SBendtrans-74.8-12.7175.370.40000113.3H21 L22H21-S35 WeakPolarHBondContact CA-OG 3.47Å; L22-S35 PolarHBondContact N-OG 2.86Å; L22-S35 PolarHBondContact O-N 3.47Å
36S93.8Very high94.7Very high18 Ų1849.6 Ų49.613%0.12627%0.266CS..  trans-147.7142.2180175.10000111.1S34 D38 F39S34-S36 PolarHBondContact O-N 3.35Å; S34-S36 PolarHBondContact OG-N 2.96Å; S34-S36 PolarHBondContact OG-O 3.24Å; S36-D38 PolarHBondContact O-N 3.49Å; S36-D38 PolarHBondContact OG-N 3.24Å; S36-D38 VanDerWaalsContact OG-N 3.15Å; S36-F39 PolarHBondContact O-N 3.14Å
37P88.9Confident94.7Very high94 Ų9451.5 Ų51.561%0.6128%0.276SS*.G310 helixtrans-62.3-28.7170.326.6-33.6000112.5F39 Q40P37-F39 PolarHBondContact O-N 3.4Å; P37-Q40 WeakPolarHBondContact O-CG 3.36Å
38D88.5Confident94.7Very high129 Ų12953.1 Ų53.169%0.6928%0.284SS*.G310 helixtrans-78.6-9.4-178.8-57.4-37.5000113S36S36-D38 PolarHBondContact O-N 3.49Å; S36-D38 PolarHBondContact OG-N 3.24Å; S36-D38 VanDerWaalsContact OG-N 3.15Å
39F92.4Very high94.7Very high3 Ų347 Ų471%0.01326%0.255CS..G310 helixtrans-116.444.7-179.8-159-104.6000111.6H21 H23 S34 S36 P37 L41 F63 I87 V98 Q100H21-F39 HydrophobicContact CB-CB 3.71Å; H21-F39 HydrophobicContact CB-CD1 3.39Å; H21-F39 HydrophobicContact CB-CD2 3.87Å; H21-F39 HydrophobicContact CB-CE1 3.92Å; H21-F39 HydrophobicContact CB-CE2 4.35Å; H21-F39 HydrophobicContact CB-CG 3.36Å; H21-F39 HydrophobicContact CB-CZ 4.37Å; H21-F39 AromaticContact CG-CD2 3.94Å; H21-F39 AromaticContact CG-CG 3.69Å; H21-F39 AromaticContact ND1-CD2 3.63Å; H21-F39 AromaticContact ND1-CG 3.87Å; H23-F39 HydrophobicContact CB-CD1 4.01Å; H23-F39 HydrophobicContact CB-CE1 4.1Å; H23-F39 PolarHBondContact ND1-O 3.27Å; S34-F39 PolarHBondContact OG-O 2.93Å; S34-F39 VanDerWaalsContact OG-O 3.09Å; S36-F39 PolarHBondContact O-N 3.14Å; P37-F39 PolarHBondContact O-N 3.4Å; F39-L41 HydrophobicContact CE1-CD1 4.23Å; F39-L41 HydrophobicContact CE1-CD2 4.36Å; F39-L41 HydrophobicContact CE1-CG 4.38Å; F39-L41 HydrophobicContact CE2-CD2 4.34Å; F39-L41 HydrophobicContact CZ-CD1 4.45Å; F39-L41 HydrophobicContact CZ-CD2 4.17Å; F39-F63 HydrophobicContact CD2-CZ 4.36Å; F39-F63 AromaticContact CE2-CE1 3.88Å; F39-F63 HydrophobicContact CE2-CE1 3.88Å; F39-F63 AromaticContact CE2-CZ 3.92Å; F39-F63 HydrophobicContact CE2-CZ 3.92Å; F39-I87 HydrophobicContact CE2-CD1 4.04Å; F39-I87 HydrophobicContact CZ-CD1 3.8Å; F39-V98 HydrophobicContact CZ-CG1 4.49Å; F39-Q100 HydrophobicContact CE1-CB 4.48Å; F39-Q100 HydrophobicContact CE2-CB 3.79Å; F39-Q100 HydrophobicContact CE2-CG 4.33Å; F39-Q100 HydrophobicContact CZ-CB 3.75Å
40Q90Very high94.7Very high115 Ų11549.2 Ų49.254%0.53727%0.265SS..  trans-90.7110172.1-68.7-173.7700110.5M1 P37M1-Q40 HydrophobicContact CE-CG 4.32Å; P37-Q40 WeakPolarHBondContact O-CG 3.36Å
41L95Very high94.6Very high10 Ų1048.8 Ų48.85%0.05227%0.265CS..  trans-84.4137.7-178.8-55.7-177.9000109.9H23 F39 F45 V46 F63 V98H23-L41 HydrophobicContact CB-CD1 4.11Å; H23-L41 HydrophobicContact CB-CG 4.25Å; H23-L41 PolarHBondContact CE1-N 3.49Å; H23-L41 PolarHBondContact ND1-N 2.83Å; F39-L41 HydrophobicContact CE1-CD1 4.23Å; F39-L41 HydrophobicContact CE1-CD2 4.36Å; F39-L41 HydrophobicContact CE1-CG 4.38Å; F39-L41 HydrophobicContact CE2-CD2 4.34Å; F39-L41 HydrophobicContact CZ-CD1 4.45Å; F39-L41 HydrophobicContact CZ-CD2 4.17Å; L41-F45 HydrophobicContact CB-CD1 4.18Å; L41-F45 HydrophobicContact CD1-CD1 4.12Å; L41-F45 HydrophobicContact CD1-CE1 4.21Å; L41-F45 HydrophobicContact CD2-CD1 3.89Å; L41-F45 HydrophobicContact CD2-CE1 3.99Å; L41-F45 HydrophobicContact CG-CD1 4.28Å; L41-V46 HydrophobicContact CB-CG2 4.01Å; L41-V46 HydrophobicContact CD1-CG2 4.46Å; L41-F63 HydrophobicContact CD2-CE2 3.52Å; L41-F63 HydrophobicContact CD2-CZ 3.62Å; L41-V98 HydrophobicContact CD1-CB 3.48Å; L41-V98 VanDerWaalsContact CD1-CB 3.48Å; L41-V98 HydrophobicContact CD1-CG1 3.53Å; L41-V98 HydrophobicContact CD1-CG2 3.59Å
42S94.8Very high94.6Very high54 Ų5446.5 Ų46.538%0.37825%0.25SC..  trans-72.1152.7174.5890000110.5E44 F45 V46S42-E44 WeakPolarHBondContact CB-OE2 3.49Å; S42-E44 PolarHBondContact O-N 2.91Å; S42-E44 PolarHBondContact OG-OE2 3.41Å; S42-F45 PolarHBondContact O-N 3.31Å; S42-F45 VanDerWaalsContact O-N 3.13Å; S42-F45 PolarHBondContact OG-N 3.08Å; S42-V46 PolarHBondContact O-N 3.37Å; S42-V46 VanDerWaalsContact O-N 3.14Å
43P96.4Very high94.5Very high50 Ų5043.5 Ų43.533%0.32524%0.239SC..Hα-helixtrans-54.6-39.9175.6-26.535.3000112.9F45 V46 L47P43-F45 VanDerWaalsContact C-N 3.32Å; P43-F45 PolarHBondContact O-N 2.93Å; P43-V46 PolarHBondContact O-N 2.85Å; P43-L47 VanDerWaalsContact O-CG 3.31Å; P43-L47 WeakPolarHBondContact O-CG 3.24Å; P43-L47 PolarHBondContact O-N 3.4Å
44E96.7Very high94Very high130 Ų13049 Ų4961%0.60727%0.268SS*.Hα-helixtrans-62-40.8179.4-55.874.9-16200111.5S42 L47 Q48S42-E44 WeakPolarHBondContact CB-OE2 3.49Å; S42-E44 PolarHBondContact O-N 2.91Å; S42-E44 PolarHBondContact OG-OE2 3.41Å; E44-L47 PolarHBondContact O-N 3.34Å; E44-Q48 PolarHBondContact O-N 3.45Å
45F96.7Very high93.4Very high20 Ų2051.9 Ų51.99%0.08828%0.283CS..Hα-helixtrans-66.6-42.9177.4-175.7-109.6000111.3L41 S42 P43 L47 Q48 L49 F61 F63L41-F45 HydrophobicContact CB-CD1 4.18Å; L41-F45 HydrophobicContact CD1-CD1 4.12Å; L41-F45 HydrophobicContact CD1-CE1 4.21Å; L41-F45 HydrophobicContact CD2-CD1 3.89Å; L41-F45 HydrophobicContact CD2-CE1 3.99Å; L41-F45 HydrophobicContact CG-CD1 4.28Å; S42-F45 PolarHBondContact O-N 3.31Å; S42-F45 VanDerWaalsContact O-N 3.13Å; S42-F45 PolarHBondContact OG-N 3.08Å; P43-F45 VanDerWaalsContact C-N 3.32Å; P43-F45 PolarHBondContact O-N 2.93Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.42Å; F45-Q48 WeakPolarHBondContact O-CB 3.49Å; F45-Q48 PolarHBondContact O-N 3.42Å; F45-L49 HydrophobicContact CD1-CD1 4.18Å; F45-L49 HydrophobicContact CD1-CG 4.39Å; F45-L49 HydrophobicContact CE1-CD1 3.74Å; F45-L49 HydrophobicContact CE1-CD2 4.15Å; F45-L49 HydrophobicContact CE1-CG 4.07Å; F45-L49 HydrophobicContact CE2-CD2 4.25Å; F45-L49 HydrophobicContact CZ-CD1 4.26Å; F45-L49 HydrophobicContact CZ-CD2 3.82Å; F45-L49 HydrophobicContact CZ-CG 4.22Å; F45-L49 WeakPolarHBondContact O-CG 3.27Å; F45-L49 PolarHBondContact O-N 2.91Å; F45-F61 AromaticContact CE2-CD2 3.9Å; F45-F61 HydrophobicContact CE2-CD2 3.9Å; F45-F61 HydrophobicContact CE2-CE2 4.23Å; F45-F61 AromaticContact CZ-CD2 3.95Å; F45-F61 HydrophobicContact CZ-CD2 3.95Å; F45-F61 AromaticContact CZ-CE2 3.79Å; F45-F61 HydrophobicContact CZ-CE2 3.79Å; F45-F63 HydrophobicContact CD1-CD2 4.16Å; F45-F63 HydrophobicContact CD1-CE2 4.29Å; F45-F63 HydrophobicContact CD2-CD2 4.26Å; F45-F63 AromaticContact CE1-CD2 3.59Å; F45-F63 HydrophobicContact CE1-CD2 3.59Å; F45-F63 AromaticContact CE1-CE2 3.92Å; F45-F63 HydrophobicContact CE1-CE2 3.92Å; F45-F63 HydrophobicContact CE1-CG 4.22Å; F45-F63 HydrophobicContact CE2-CB 3.9Å; F45-F63 AromaticContact CE2-CD2 3.73Å; F45-F63 HydrophobicContact CE2-CD2 3.73Å; F45-F63 HydrophobicContact CE2-CG 4.18Å; F45-F63 HydrophobicContact CG-CD2 4.45Å; F45-F63 HydrophobicContact CZ-CB 3.7Å; F45-F63 AromaticContact CZ-CD2 3.35Å; F45-F63 HydrophobicContact CZ-CD2 3.35Å; F45-F63 HydrophobicContact CZ-CE2 4.16Å; F45-F63 AromaticContact CZ-CG 3.68Å; F45-F63 HydrophobicContact CZ-CG 3.68Å
46V97Very high92.6Very high1 Ų156.8 Ų56.81%0.00631%0.308CS..Hα-helixtrans-62.8-40.5176.3177.40000111.5T25 L41 S42 P43 Q48 L49 K50 C96T25-V46 HydrophobicContact CG2-CG2 3.97Å; T25-V46 WeakPolarHBondContact OG1-CG1 3.5Å; L41-V46 HydrophobicContact CB-CG2 4.01Å; L41-V46 HydrophobicContact CD1-CG2 4.46Å; S42-V46 PolarHBondContact O-N 3.37Å; S42-V46 VanDerWaalsContact O-N 3.14Å; P43-V46 PolarHBondContact O-N 2.85Å; V46-Q48 VanDerWaalsContact C-N 3.32Å; V46-Q48 PolarHBondContact O-N 3.44Å; V46-L49 PolarHBondContact O-N 2.88Å; V46-K50 PolarHBondContact O-N 3.08Å; V46-C96 HydrophobicContact CG1-CB 3.88Å
47L96Very high92.2Very high74 Ų7464.5 Ų64.539%0.38734%0.339SS..Hα-helixtrans-64.2-37.3175.2-70.8172.9000111.9P43 E44 F45 K50 S51P43-L47 VanDerWaalsContact O-CG 3.31Å; P43-L47 WeakPolarHBondContact O-CG 3.24Å; P43-L47 PolarHBondContact O-N 3.4Å; E44-L47 PolarHBondContact O-N 3.34Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.42Å; L47-K50 PolarHBondContact O-N 3.15Å; L47-S51 WeakPolarHBondContact O-CB 3.22Å; L47-S51 PolarHBondContact O-N 3.26Å
48Q95.9Very high92.1Very high76 Ų7664.6 Ų64.636%0.35533%0.332SS..Hα-helixtrans-60.3-48.4171.1-175.6-177.132.300111.1E44 F45 V46 K50 S51 L52E44-Q48 PolarHBondContact O-N 3.45Å; F45-Q48 WeakPolarHBondContact O-CB 3.49Å; F45-Q48 PolarHBondContact O-N 3.42Å; V46-Q48 VanDerWaalsContact C-N 3.32Å; V46-Q48 PolarHBondContact O-N 3.44Å; Q48-K50 VanDerWaalsContact C-N 3.3Å; Q48-K50 PolarHBondContact O-N 3.31Å; Q48-S51 WeakPolarHBondContact O-CB 3.37Å; Q48-S51 PolarHBondContact O-N 3.47Å; Q48-S51 VanDerWaalsContact O-N 3.13Å; Q48-L52 HydrophobicContact CG-CD1 4.39Å; Q48-L52 WeakPolarHBondContact O-CG 3.49Å; Q48-L52 PolarHBondContact O-N 2.93Å
49L96.5Very high92.3Very high0 Ų062.2 Ų62.20%032%0.322CS..Hα-helixtrans-59.3-41.6177-60-177.8000111.8F45 V46 S51 L52 L53 F61 F78 F89 V98F45-L49 HydrophobicContact CD1-CD1 4.18Å; F45-L49 HydrophobicContact CD1-CG 4.39Å; F45-L49 HydrophobicContact CE1-CD1 3.74Å; F45-L49 HydrophobicContact CE1-CD2 4.15Å; F45-L49 HydrophobicContact CE1-CG 4.07Å; F45-L49 HydrophobicContact CE2-CD2 4.25Å; F45-L49 HydrophobicContact CZ-CD1 4.26Å; F45-L49 HydrophobicContact CZ-CD2 3.82Å; F45-L49 HydrophobicContact CZ-CG 4.22Å; F45-L49 WeakPolarHBondContact O-CG 3.27Å; F45-L49 PolarHBondContact O-N 2.91Å; V46-L49 PolarHBondContact O-N 2.88Å; L49-S51 PolarHBondContact O-N 3.35Å; L49-L52 HydrophobicContact CD2-CD1 4.3Å; L49-L52 WeakPolarHBondContact O-CB 3.44Å; L49-L52 PolarHBondContact O-N 3.21Å; L49-L53 PolarHBondContact O-N 2.85Å; L49-L53 VanDerWaalsContact O-N 3.15Å; L49-F61 HydrophobicContact CD2-CD1 4.35Å; L49-F61 HydrophobicContact CD2-CD2 4.08Å; L49-F61 HydrophobicContact CD2-CE1 4.11Å; L49-F61 HydrophobicContact CD2-CE2 3.86Å; L49-F61 HydrophobicContact CD2-CG 4.32Å; L49-F61 HydrophobicContact CD2-CZ 3.84Å; L49-F78 HydrophobicContact CB-CE1 4.43Å; L49-F78 HydrophobicContact CB-CZ 4.09Å; L49-F78 HydrophobicContact CD2-CZ 3.93Å; L49-F78 HydrophobicContact CG-CZ 4.47Å; L49-F78 WeakPolarHBondContact O-CE1 3.44Å; L49-F89 HydrophobicContact CB-CD2 3.82Å; L49-F89 HydrophobicContact CB-CE2 3.91Å; L49-F89 HydrophobicContact CB-CG 4.28Å; L49-F89 HydrophobicContact CB-CZ 4.44Å; L49-F89 HydrophobicContact CD1-CD2 3.93Å; L49-F89 HydrophobicContact CD1-CE2 4.47Å; L49-V98 HydrophobicContact CD1-CG1 3.85Å; L49-V98 HydrophobicContact CD1-CG2 4.01Å
50K95.3Very high92.5Very high45 Ų4563.7 Ų63.720%0.19633%0.333CS..Hα-helixtrans-64-39.8175.6-179.1169.8170.5179.10112.1H27 V46 L47 Q48 L53 N54 F89 M91H27-K50 PolarHBondContact ND1-NZ 2.72Å; H27-K50 PolarHBondContact O-NZ 2.86Å; V46-K50 PolarHBondContact O-N 3.08Å; L47-K50 PolarHBondContact O-N 3.15Å; Q48-K50 VanDerWaalsContact C-N 3.3Å; Q48-K50 PolarHBondContact O-N 3.31Å; K50-L53 WeakPolarHBondContact O-CB 3.38Å; K50-L53 PolarHBondContact O-N 3.42Å; K50-N54 PolarHBondContact O-N 3.15Å; K50-N54 PolarHBondContact O-ND2 3.39Å; K50-F89 HydrophobicContact CB-CZ 4.24Å; K50-M91 HydrophobicContact CD-SD 4.17Å; K50-M91 HydrophobicContact CG-SD 3.86Å
51S93.8Very high92.8Very high64 Ų6458.5 Ų58.545%0.44831%0.309SS..Hα-helixtrans-61.8-43.4174.2-170.40000111.5L47 Q48 L49 L53 N54 D55L47-S51 WeakPolarHBondContact O-CB 3.22Å; L47-S51 PolarHBondContact O-N 3.26Å; Q48-S51 WeakPolarHBondContact O-CB 3.37Å; Q48-S51 PolarHBondContact O-N 3.47Å; Q48-S51 VanDerWaalsContact O-N 3.13Å; L49-S51 PolarHBondContact O-N 3.35Å; S51-L53 PolarHBondContact O-N 3.47Å; S51-N54 PolarHBondContact O-N 2.82Å; S51-D55 PolarHBondContact O-N 2.98Å
52L94.6Very high92.8Very high0 Ų062 Ų620%033%0.331CS..Hα-helixtrans-62.5-24.8176.4-70168.8000113.7Q48 L49 E58 F61 I70 R73 F78Q48-L52 HydrophobicContact CG-CD1 4.39Å; Q48-L52 WeakPolarHBondContact O-CG 3.49Å; Q48-L52 PolarHBondContact O-N 2.93Å; L49-L52 HydrophobicContact CD2-CD1 4.3Å; L49-L52 WeakPolarHBondContact O-CB 3.44Å; L49-L52 PolarHBondContact O-N 3.21Å; L52-E58 HydrophobicContact CD2-CB 3.33Å; L52-E58 HydrophobicContact CD2-CG 4.32Å; L52-E58 WeakPolarHBondContact CD2-OE2 3.45Å; L52-F61 HydrophobicContact CD1-CB 3.77Å; L52-F61 HydrophobicContact CD1-CD1 3.51Å; L52-F61 HydrophobicContact CD1-CE1 4.33Å; L52-F61 HydrophobicContact CD1-CG 3.86Å; L52-I70 HydrophobicContact CB-CD1 4.22Å; L52-I70 HydrophobicContact CD2-CD1 4.39Å; L52-R73 PolarHBondContact O-NE 3.09Å; L52-R73 PolarHBondContact O-NH2 2.83Å; L52-F78 HydrophobicContact CB-CE1 4.38Å
53L92.7Very high92.8Very high11 Ų1160.4 Ų60.46%0.05832%0.317CS..Hα-helixtrans-72.6-37.4173.5-172.972.3000111.3L49 K50 S51 E74 F78 F89 M91L49-L53 PolarHBondContact O-N 2.85Å; L49-L53 VanDerWaalsContact O-N 3.15Å; K50-L53 WeakPolarHBondContact O-CB 3.38Å; K50-L53 PolarHBondContact O-N 3.42Å; S51-L53 PolarHBondContact O-N 3.47Å; L53-E74 WeakPolarHBondContact CD1-O 3.44Å; L53-F78 HydrophobicContact CB-CD1 4.39Å; L53-F78 HydrophobicContact CD1-CD1 4Å; L53-F89 HydrophobicContact CB-CE1 4.32Å; L53-F89 HydrophobicContact CD2-CE1 4.05Å; L53-M91 HydrophobicContact CD2-CB 4.4Å; L53-M91 HydrophobicContact CD2-CE 4.26Å; L53-M91 HydrophobicContact CD2-CG 4.28Å; L53-M91 HydrophobicContact CD2-SD 3.58Å; L53-M91 VanDerWaalsContact CD2-SD 3.58Å
54N86.6Confident92.6Very high116 Ų11663.9 Ų63.962%0.6233%0.33SS*.Hα-helixtrans-86.3-28.7-175.9-64.9-35.7000113.6K50 S51K50-N54 PolarHBondContact O-N 3.15Å; K50-N54 PolarHBondContact O-ND2 3.39Å; S51-N54 PolarHBondContact O-N 2.82Å
55D84.2Confident92.4Very high63 Ų6365.6 Ų65.634%0.33734%0.343SS..  trans-102.2115.6178.7-167.5-12.8000111.5S51 K57 R73S51-D55 PolarHBondContact O-N 2.98Å; D55-K57 PolarHBondContact O-N 3.26Å; D55-K57 VanDerWaalsContact OD1-CB 3.31Å; D55-K57 WeakPolarHBondContact OD1-CB 3.24Å; D55-K57 WeakPolarHBondContact OD1-CG 3.43Å; D55-K57 PolarHBondContact OD1-N 2.82Å; D55-R73 PolarHBondContact O-NH2 3.35Å
56N78.6Confident92.4Very high120 Ų12067.4 Ų67.464%0.64235%0.352SS*.SBendtrans-74.9-10.4179.9-72.5-24.5000114.2R73N56-R73 PolarHBondContact O-NH1 2.96Å; N56-R73 WeakPolarHBondContact OD1-CD 3.48Å
57K85Confident92.4Very high179 Ų17973.6 Ų73.678%0.77838%0.379SS*.SBendtrans-76.8-41.8-176.1-66.8178.4179.3177.30113.1D55D55-K57 PolarHBondContact O-N 3.26Å; D55-K57 VanDerWaalsContact OD1-CB 3.31Å; D55-K57 WeakPolarHBondContact OD1-CB 3.24Å; D55-K57 WeakPolarHBondContact OD1-CG 3.43Å; D55-K57 PolarHBondContact OD1-N 2.82Å
58E88.4Confident92.5Very high96 Ų9670 Ų7045%0.44936%0.36SS..  trans-79.7126.6179.3-74-170.7169.500110.3L52 R73L52-E58 HydrophobicContact CD2-CB 3.33Å; L52-E58 HydrophobicContact CD2-CG 4.32Å; L52-E58 WeakPolarHBondContact CD2-OE2 3.45Å; E58-R73 PolarHBondContact O-NH2 2.89Å
59T92.7Very high92.6Very high80 Ų8070.7 Ų70.749%0.49137%0.366SS..  trans-116.54.4-177.457.20000112.6I69 I70T59-I69 CarbonylContact O-C 3.51Å; T59-I69 WeakPolarHBondContact O-CA 3.48Å; T59-I70 PolarHBondContact O-N 2.8Å
60S95.4Very high92.6Very high34 Ų3471.8 Ų71.824%0.23837%0.371CS..EExtended strand (participates in β ladder)trans-156.2157.7-179.764.60000112.5K67 Y68S60-K67 VanDerWaalsContact CB-CE 3.46Å; S60-K67 WeakPolarHBondContact OG-CE 3.36Å; S60-Y68 CarbonylContact C-O 3.56Å; S60-Y68 WeakPolarHBondContact CA-O 3.43Å; S60-Y68 WeakPolarHBondContact CB-O 3.3Å
61F96.5Very high92.6Very high6 Ų674.5 Ų74.53%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-144.5166.3173.758.7-85.5000110.5F45 L49 L52 F63 K67 Y68 I70 F78 S80 I87F45-F61 AromaticContact CE2-CD2 3.9Å; F45-F61 HydrophobicContact CE2-CD2 3.9Å; F45-F61 HydrophobicContact CE2-CE2 4.23Å; F45-F61 AromaticContact CZ-CD2 3.95Å; F45-F61 HydrophobicContact CZ-CD2 3.95Å; F45-F61 AromaticContact CZ-CE2 3.79Å; F45-F61 HydrophobicContact CZ-CE2 3.79Å; L49-F61 HydrophobicContact CD2-CD1 4.35Å; L49-F61 HydrophobicContact CD2-CD2 4.08Å; L49-F61 HydrophobicContact CD2-CE1 4.11Å; L49-F61 HydrophobicContact CD2-CE2 3.86Å; L49-F61 HydrophobicContact CD2-CG 4.32Å; L49-F61 HydrophobicContact CD2-CZ 3.84Å; L52-F61 HydrophobicContact CD1-CB 3.77Å; L52-F61 HydrophobicContact CD1-CD1 3.51Å; L52-F61 HydrophobicContact CD1-CE1 4.33Å; L52-F61 HydrophobicContact CD1-CG 3.86Å; F61-F63 HydrophobicContact CD2-CB 4.34Å; F61-F63 HydrophobicContact CE2-CB 4.22Å; F61-K67 WeakPolarHBondContact O-CA 3.5Å; F61-Y68 HydrophobicContact CE2-CD2 4.2Å; F61-Y68 HydrophobicContact CE2-CG 4Å; F61-Y68 HydrophobicContact CZ-CG 4.07Å; F61-Y68 PolarHBondContact N-O 2.85Å; F61-Y68 PolarHBondContact O-N 2.89Å; F61-I70 HydrophobicContact CE1-CG1 4.49Å; F61-F78 AromaticContact CE1-CE2 3.94Å; F61-F78 HydrophobicContact CE1-CE2 3.94Å; F61-F78 HydrophobicContact CE1-CZ 4.45Å; F61-F78 HydrophobicContact CZ-CE2 4.42Å; F61-S80 WeakPolarHBondContact CE1-OG 3.31Å; F61-S80 WeakPolarHBondContact CZ-OG 3.34Å; F61-I87 HydrophobicContact CZ-CB 4.04Å; F61-I87 HydrophobicContact CZ-CG2 4.05Å
62T96.3Very high92.6Very high84 Ų8477.8 Ų77.852%0.51539%0.389SS..EExtended strand (participates in β ladder)trans-107.6131.6176.5-570000109.5E66T62-E66 CarbonylContact C-O 3.58Å; T62-E66 VanDerWaalsContact CA-O 3.32Å; T62-E66 WeakPolarHBondContact CA-O 3.15Å
63F94.6Very high92.6Very high19 Ų1981 Ų818%0.08340%0.401CS..EExtended strand (participates in β ladder)trans-136.4128173.7177.7-115000108.5F39 L41 F45 F61 N65 E66 Y68 I87F39-F63 HydrophobicContact CD2-CZ 4.36Å; F39-F63 AromaticContact CE2-CE1 3.88Å; F39-F63 HydrophobicContact CE2-CE1 3.88Å; F39-F63 AromaticContact CE2-CZ 3.92Å; F39-F63 HydrophobicContact CE2-CZ 3.92Å; L41-F63 HydrophobicContact CD2-CE2 3.52Å; L41-F63 HydrophobicContact CD2-CZ 3.62Å; F45-F63 HydrophobicContact CD1-CD2 4.16Å; F45-F63 HydrophobicContact CD1-CE2 4.29Å; F45-F63 HydrophobicContact CD2-CD2 4.26Å; F45-F63 AromaticContact CE1-CD2 3.59Å; F45-F63 HydrophobicContact CE1-CD2 3.59Å; F45-F63 AromaticContact CE1-CE2 3.92Å; F45-F63 HydrophobicContact CE1-CE2 3.92Å; F45-F63 HydrophobicContact CE1-CG 4.22Å; F45-F63 HydrophobicContact CE2-CB 3.9Å; F45-F63 AromaticContact CE2-CD2 3.73Å; F45-F63 HydrophobicContact CE2-CD2 3.73Å; F45-F63 HydrophobicContact CE2-CG 4.18Å; F45-F63 HydrophobicContact CG-CD2 4.45Å; F45-F63 HydrophobicContact CZ-CB 3.7Å; F45-F63 AromaticContact CZ-CD2 3.35Å; F45-F63 HydrophobicContact CZ-CD2 3.35Å; F45-F63 HydrophobicContact CZ-CE2 4.16Å; F45-F63 AromaticContact CZ-CG 3.68Å; F45-F63 HydrophobicContact CZ-CG 3.68Å; F61-F63 HydrophobicContact CD2-CB 4.34Å; F61-F63 HydrophobicContact CE2-CB 4.22Å; F63-N65 VanDerWaalsContact C-N 3.28Å; F63-N65 PolarHBondContact O-N 2.91Å; F63-E66 PolarHBondContact N-O 3.39Å; F63-E66 WeakPolarHBondContact O-CB 3.42Å; F63-E66 PolarHBondContact O-N 2.82Å; F63-Y68 HydrophobicContact CB-CD2 4.08Å; F63-Y68 HydrophobicContact CB-CE2 4.04Å; F63-Y68 HydrophobicContact CD1-CE2 4.2Å; F63-I87 HydrophobicContact CD1-CD1 4.38Å; F63-I87 HydrophobicContact CE1-CD1 4.38Å
64M90.7Very high92.7Very high124 Ų12484 Ų8461%0.61142%0.415SS*.THydrogen-bonded Turntrans49.146-177-62.6-174.8168.300113.6E66M64-E66 PolarHBondContact O-N 3.34Å
65N93.3Very high93Very high165 Ų16584.1 Ų84.188%0.88242%0.422SS*.THydrogen-bonded Turntrans62.112.6-176.6-58-31.1000115.5F63F63-N65 VanDerWaalsContact C-N 3.28Å; F63-N65 PolarHBondContact O-N 2.91Å
66E96.3Very high93.5Very high59 Ų5983.8 Ų83.828%0.27642%0.423SS..EExtended strand (participates in β ladder)trans-111136.5176-65.9-179.7140.500110.7T62 F63 M64 Y68 K85T62-E66 CarbonylContact C-O 3.58Å; T62-E66 VanDerWaalsContact CA-O 3.32Å; T62-E66 WeakPolarHBondContact CA-O 3.15Å; F63-E66 PolarHBondContact N-O 3.39Å; F63-E66 WeakPolarHBondContact O-CB 3.42Å; F63-E66 PolarHBondContact O-N 2.82Å; M64-E66 PolarHBondContact O-N 3.34Å; E66-Y68 HydrophobicContact CB-CE2 4.08Å; E66-K85 IonicContact OE1-NZ 2.68Å; E66-K85 PolarHBondContact OE1-NZ 3.24Å; E66-K85 WeakPolarHBondContact OE2-CD 3.43Å; E66-K85 IonicContact OE2-NZ 3.38Å; E66-K85 PolarHBondContact OE2-NZ 3.13Å
67K97.4Very high94.3Very high130 Ų13078.9 Ų78.957%0.56540%0.397SS*.EExtended strand (participates in β ladder)trans-86.3120.2177.2-174.2177.7-179.1177.30110.3S60 F61 C82S60-K67 VanDerWaalsContact CB-CE 3.46Å; S60-K67 WeakPolarHBondContact OG-CE 3.36Å; F61-K67 WeakPolarHBondContact O-CA 3.5Å; K67-C82 WeakPolarHBondContact O-CB 3.49Å; K67-C82 PolarHBondContact O-SG 3.37Å
68Y98.1Very high94.9Very high0 Ų070.4 Ų70.40%036%0.361CS..EExtended strand (participates in β ladder)trans-100.1133172.8-76.8-99.3000110.1S60 F61 F63 E66 C82 K85 I87S60-Y68 CarbonylContact C-O 3.56Å; S60-Y68 WeakPolarHBondContact CA-O 3.43Å; S60-Y68 WeakPolarHBondContact CB-O 3.3Å; F61-Y68 HydrophobicContact CE2-CD2 4.2Å; F61-Y68 HydrophobicContact CE2-CG 4Å; F61-Y68 HydrophobicContact CZ-CG 4.07Å; F61-Y68 PolarHBondContact N-O 2.85Å; F61-Y68 PolarHBondContact O-N 2.89Å; F63-Y68 HydrophobicContact CB-CD2 4.08Å; F63-Y68 HydrophobicContact CB-CE2 4.04Å; F63-Y68 HydrophobicContact CD1-CE2 4.2Å; E66-Y68 HydrophobicContact CB-CE2 4.08Å; Y68-C82 HydrophobicContact CD1-CB 3.7Å; Y68-C82 HydrophobicContact CD2-CB 3.99Å; Y68-C82 HydrophobicContact CE1-CB 3.63Å; Y68-C82 HydrophobicContact CE2-CB 3.94Å; Y68-C82 HydrophobicContact CG-CB 3.88Å; Y68-K85 HydrophobicContact CE1-CB 4.02Å; Y68-K85 VanDerWaalsContact OH-CB 3.31Å; Y68-K85 WeakPolarHBondContact OH-CB 3.41Å; Y68-K85 WeakPolarHBondContact OH-CD 3.43Å; Y68-I87 HydrophobicContact CD1-CB 4.27Å; Y68-I87 HydrophobicContact CD1-CG1 3.94Å; Y68-I87 HydrophobicContact CE1-CB 4.33Å; Y68-I87 HydrophobicContact CE1-CG1 3.62Å; Y68-I87 HydrophobicContact CE2-CG1 4.47Å; Y68-I87 HydrophobicContact CG-CG1 4.49Å
69I97.3Very high95.3Very high90 Ų9066.5 Ų66.546%0.46234%0.343SS..EExtended strand (participates in β ladder)trans-107130.2177.4-56.7174000108.6T59 I71 S80 R81T59-I69 CarbonylContact O-C 3.51Å; T59-I69 WeakPolarHBondContact O-CA 3.48Å; I69-I71 PolarHBondContact O-N 2.81Å; I69-S80 CarbonylContact O-C 3.59Å; I69-S80 WeakPolarHBondContact O-CA 3.32Å; I69-S80 WeakPolarHBondContact O-CB 3.15Å; I69-R81 PolarHBondContact N-O 3.09Å; I69-R81 PolarHBondContact O-N 3.38Å
70I96.6Very high95.6Very high22 Ų2262.7 Ų62.711%0.11332%0.319CS..EExtended strand (participates in β ladder)trans-70.3117.8174.8-61.8173.2000108.5L52 T59 F61 R73 F78L52-I70 HydrophobicContact CB-CD1 4.22Å; L52-I70 HydrophobicContact CD2-CD1 4.39Å; T59-I70 PolarHBondContact O-N 2.8Å; F61-I70 HydrophobicContact CE1-CG1 4.49Å; I70-R73 VanDerWaalsContact CD1-NH2 3.27Å; I70-R73 HydrophobicContact CG2-CB 4.34Å; I70-F78 HydrophobicContact CD1-CD2 4.46Å; I70-F78 HydrophobicContact CG1-CD2 4.17Å; I70-F78 HydrophobicContact CG1-CE2 4.48Å; I70-F78 HydrophobicContact CG2-CB 4.17Å
71I95.4Very high95.7Very high103 Ų10365.2 Ų65.253%0.52832%0.324SS..EExtended strand (participates in β ladder)trans-102.6-21-178.558.4167.7000112.7I69 I79 R81I69-I71 PolarHBondContact O-N 2.81Å; I71-I79 HydrophobicContact CD1-CG2 3.9Å; I71-I79 HydrophobicContact CG1-CB 4.13Å; I71-I79 HydrophobicContact CG1-CG2 3.96Å; I71-I79 WeakPolarHBondContact CG1-O 3.34Å; I71-I79 PolarHBondContact N-O 3.03Å; I71-R81 HydrophobicContact CD1-CB 4.24Å; I71-R81 HydrophobicContact CG2-CB 4.17Å
72R94.7Very high95.7Very high132 Ų13265.8 Ų65.850%0.49833%0.328SS..EExtended strand (participates in β ladder)trans-149133.9175.7-178178.5177.6173.50.8109E74 F78 I79R72-E74 IonicContact CZ-OE1 2.66Å; R72-E74 IonicContact NE-OE1 2.66Å; R72-E74 PolarHBondContact NE-OE1 3.29Å; R72-E74 IonicContact NH2-OE1 2.7Å; R72-E74 PolarHBondContact NH2-OE1 2.84Å; R72-F78 CarbonylContact O-C 3.58Å; R72-F78 WeakPolarHBondContact O-CA 3.47Å; R72-F78 VanDerWaalsContact O-CB 3.22Å; R72-F78 WeakPolarHBondContact O-CB 3.48Å; R72-I79 HydrophobicContact CB-CB 4.38Å; R72-I79 PolarHBondContact N-O 2.99Å; R72-I79 PolarHBondContact O-N 3.37Å
73R94.5Very high95.6Very high67 Ų6768.9 Ų68.925%0.25334%0.341SS..EExtended strand (participates in β ladder)trans-126.2136.6173.4-172.2-179-81.5134.5-7.8109L52 D55 N56 E58 I70 F78L52-R73 PolarHBondContact O-NE 3.09Å; L52-R73 PolarHBondContact O-NH2 2.83Å; D55-R73 PolarHBondContact O-NH2 3.35Å; N56-R73 PolarHBondContact O-NH1 2.96Å; N56-R73 WeakPolarHBondContact OD1-CD 3.48Å; E58-R73 PolarHBondContact O-NH2 2.89Å; I70-R73 VanDerWaalsContact CD1-NH2 3.27Å; I70-R73 HydrophobicContact CG2-CB 4.34Å; R73-F78 HydrophobicContact CB-CB 4.38Å; R73-F78 HydrophobicContact CG-CB 4.38Å
74E93.8Very high95.7Very high76 Ų7674.1 Ų74.136%0.35536%0.364SS..EExtended strand (participates in β ladder)trans-125165.6176.9-63.4-90.4158.900107.6L53 R72 T76 S77L53-E74 WeakPolarHBondContact CD1-O 3.44Å; R72-E74 IonicContact CZ-OE1 2.66Å; R72-E74 IonicContact NE-OE1 2.66Å; R72-E74 PolarHBondContact NE-OE1 3.29Å; R72-E74 IonicContact NH2-OE1 2.7Å; R72-E74 PolarHBondContact NH2-OE1 2.84Å; E74-T76 PolarHBondContact O-N 3.06Å; E74-T76 VanDerWaalsContact O-N 3.09Å; E74-S77 CarbonylContact C-O 3.56Å; E74-S77 WeakPolarHBondContact CA-O 3.46Å; E74-S77 WeakPolarHBondContact CB-O 3.43Å; E74-S77 WeakPolarHBondContact CB-OG 3.46Å; E74-S77 PolarHBondContact N-O 3.36Å; E74-S77 PolarHBondContact O-N 2.93Å
75P92.7Very high96Very high117 Ų11771.1 Ų71.176%0.7635%0.347SS*.THydrogen-bonded Turntrans-57.5-29.1-178.5-27.335.5000115
76T94.8Very high96.2Very high57 Ų5763.2 Ų63.235%0.3531%0.305SS..THydrogen-bonded Turntrans-125.810.6-177.559.80000113.5E74 H90 M91E74-T76 PolarHBondContact O-N 3.06Å; E74-T76 VanDerWaalsContact O-N 3.09Å; T76-H90 CarbonylContact O-C 3.58Å; T76-H90 WeakPolarHBondContact O-CA 3.43Å; T76-M91 PolarHBondContact O-N 3.25Å
77S96.8Very high96.3Very high16 Ų1660.4 Ų60.411%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-160.2161.5-177.652.40000113.2E74 F89 H90E74-S77 CarbonylContact C-O 3.56Å; E74-S77 WeakPolarHBondContact CA-O 3.46Å; E74-S77 WeakPolarHBondContact CB-O 3.43Å; E74-S77 WeakPolarHBondContact CB-OG 3.46Å; E74-S77 PolarHBondContact N-O 3.36Å; E74-S77 PolarHBondContact O-N 2.93Å; S77-F89 CarbonylContact C-O 3.21Å; S77-F89 WeakPolarHBondContact CA-O 3.42Å; S77-F89 WeakPolarHBondContact CB-O 3.44Å; S77-H90 VanDerWaalsContact CB-ND1 3.34Å; S77-H90 WeakPolarHBondContact CB-ND1 3.36Å
78F97.1Very high96.3Very high1 Ų154.2 Ų54.20%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-148.2160.7166.165.4-100.6000111.2L49 L52 L53 F61 I70 R72 R73 F89L49-F78 HydrophobicContact CB-CE1 4.43Å; L49-F78 HydrophobicContact CB-CZ 4.09Å; L49-F78 HydrophobicContact CD2-CZ 3.93Å; L49-F78 HydrophobicContact CG-CZ 4.47Å; L49-F78 WeakPolarHBondContact O-CE1 3.44Å; L52-F78 HydrophobicContact CB-CE1 4.38Å; L53-F78 HydrophobicContact CB-CD1 4.39Å; L53-F78 HydrophobicContact CD1-CD1 4Å; F61-F78 AromaticContact CE1-CE2 3.94Å; F61-F78 HydrophobicContact CE1-CE2 3.94Å; F61-F78 HydrophobicContact CE1-CZ 4.45Å; F61-F78 HydrophobicContact CZ-CE2 4.42Å; I70-F78 HydrophobicContact CD1-CD2 4.46Å; I70-F78 HydrophobicContact CG1-CD2 4.17Å; I70-F78 HydrophobicContact CG1-CE2 4.48Å; I70-F78 HydrophobicContact CG2-CB 4.17Å; R72-F78 CarbonylContact O-C 3.58Å; R72-F78 WeakPolarHBondContact O-CA 3.47Å; R72-F78 VanDerWaalsContact O-CB 3.22Å; R72-F78 WeakPolarHBondContact O-CB 3.48Å; R73-F78 HydrophobicContact CB-CB 4.38Å; R73-F78 HydrophobicContact CG-CB 4.38Å; F78-F89 HydrophobicContact CD1-CB 3.9Å; F78-F89 AromaticContact CD1-CD1 3.87Å; F78-F89 HydrophobicContact CD1-CD1 3.87Å; F78-F89 HydrophobicContact CD1-CG 4.26Å; F78-F89 HydrophobicContact CD2-CB 4.25Å; F78-F89 HydrophobicContact CE1-CB 3.48Å; F78-F89 VanDerWaalsContact CE1-CB 3.48Å; F78-F89 AromaticContact CE1-CD1 3.48Å; F78-F89 HydrophobicContact CE1-CD1 3.48Å; F78-F89 VanDerWaalsContact CE1-CD1 3.48Å; F78-F89 HydrophobicContact CE1-CE1 4.39Å; F78-F89 AromaticContact CE1-CG 3.64Å; F78-F89 HydrophobicContact CE1-CG 3.64Å; F78-F89 HydrophobicContact CE2-CB 3.86Å; F78-F89 HydrophobicContact CG-CB 4.26Å; F78-F89 HydrophobicContact CZ-CB 3.45Å; F78-F89 VanDerWaalsContact CZ-CB 3.45Å; F78-F89 HydrophobicContact CZ-CD1 4.26Å; F78-F89 AromaticContact CZ-CG 3.95Å; F78-F89 HydrophobicContact CZ-CG 3.95Å; F78-F89 PolarHBondContact N-O 2.91Å; F78-F89 PolarHBondContact O-N 3.43Å
79I97.3Very high96.3Very high15 Ų1554.2 Ų54.28%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-116.7131.4171.6-53.7173.4000107.3I71 R72 I88 N113I71-I79 HydrophobicContact CD1-CG2 3.9Å; I71-I79 HydrophobicContact CG1-CB 4.13Å; I71-I79 HydrophobicContact CG1-CG2 3.96Å; I71-I79 WeakPolarHBondContact CG1-O 3.34Å; I71-I79 PolarHBondContact N-O 3.03Å; R72-I79 HydrophobicContact CB-CB 4.38Å; R72-I79 PolarHBondContact N-O 2.99Å; R72-I79 PolarHBondContact O-N 3.37Å; I79-I88 HydrophobicContact CG1-CG2 4.43Å; I79-I88 HydrophobicContact CG2-CG1 4.44Å; I79-N113 HydrophobicContact CD1-CB 4.23Å; I79-N113 WeakPolarHBondContact CD1-OD1 3.33Å
80S97.7Very high96.3Very high0 Ų050.4 Ų50.40%025%0.245CC..EExtended strand (participates in β ladder)trans-125.7155.1174.667.20000111F61 I69 S86 I87F61-S80 WeakPolarHBondContact CE1-OG 3.31Å; F61-S80 WeakPolarHBondContact CZ-OG 3.34Å; I69-S80 CarbonylContact O-C 3.59Å; I69-S80 WeakPolarHBondContact O-CA 3.32Å; I69-S80 WeakPolarHBondContact O-CB 3.15Å; S80-S86 CarbonylContact O-C 3.42Å; S80-S86 WeakPolarHBondContact O-CA 3.41Å; S80-S86 WeakPolarHBondContact O-CB 3.35Å; S80-I87 PolarHBondContact N-O 3.4Å; S80-I87 PolarHBondContact O-N 3.27Å; S80-I87 WeakPolarHBondContact OG-CB 3.49Å; S80-I87 PolarHBondContact OG-O 2.92Å
81R97.5Very high96.3Very high86 Ų8650.8 Ų50.833%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-138140.9-172.2-165.4163.2176.2122.72.5112.4I69 I71 L83 K85 D103I69-R81 PolarHBondContact N-O 3.09Å; I69-R81 PolarHBondContact O-N 3.38Å; I71-R81 HydrophobicContact CD1-CB 4.24Å; I71-R81 HydrophobicContact CG2-CB 4.17Å; R81-L83 PolarHBondContact NE-O 3.28Å; R81-L83 PolarHBondContact NH2-O 2.7Å; R81-K85 WeakPolarHBondContact CA-O 3.28Å; R81-D103 IonicContact CZ-OD2 3.18Å; R81-D103 IonicContact NH1-OD2 2.87Å; R81-D103 PolarHBondContact NH1-OD2 3.24Å; R81-D103 IonicContact NH2-OD2 2.67Å; R81-D103 PolarHBondContact NH2-OD2 3.5Å
82C97.1Very high96.4Very high18 Ų1846.2 Ų46.212%0.12222%0.223CC..EExtended strand (participates in β ladder)trans-136.1102.4169-173.20000108.1K67 Y68 K84 K85K67-C82 WeakPolarHBondContact O-CB 3.49Å; K67-C82 PolarHBondContact O-SG 3.37Å; Y68-C82 HydrophobicContact CD1-CB 3.7Å; Y68-C82 HydrophobicContact CD2-CB 3.99Å; Y68-C82 HydrophobicContact CE1-CB 3.63Å; Y68-C82 HydrophobicContact CE2-CB 3.94Å; Y68-C82 HydrophobicContact CG-CB 3.88Å; C82-K84 PolarHBondContact O-N 3.41Å; C82-K85 PolarHBondContact N-O 3.14Å; C82-K85 WeakPolarHBondContact O-CB 3.49Å; C82-K85 PolarHBondContact O-N 2.72Å
83L94.8Very high96.4Very high149 Ų14943.5 Ų43.578%0.7822%0.223SC*.THydrogen-bonded Turntrans54.1-108.4-175.2-58.2172000112.2R81R81-L83 PolarHBondContact NE-O 3.28Å; R81-L83 PolarHBondContact NH2-O 2.7Å
84K96Very high96.5Very high130 Ų13045.4 Ų45.457%0.56523%0.233SC*.THydrogen-bonded Turntrans-93.1-9.1177.5-67.8-175172-167.80113.2C82 I102 D103C82-K84 PolarHBondContact O-N 3.41Å; K84-I102 CarbonylContact O-C 3.54Å; K84-I102 WeakPolarHBondContact O-CA 3.4Å; K84-D103 HydrophobicContact CB-CB 4.17Å; K84-D103 PolarHBondContact O-N 3.24Å
85K97Very high96.7Very high60 Ų6041.8 Ų41.826%0.26122%0.216SC..EExtended strand (participates in β ladder)trans-95.5143.6-178.8-58.2170.4179.9169.90109.8E66 Y68 R81 C82 T101 I102E66-K85 IonicContact OE1-NZ 2.68Å; E66-K85 PolarHBondContact OE1-NZ 3.24Å; E66-K85 WeakPolarHBondContact OE2-CD 3.43Å; E66-K85 IonicContact OE2-NZ 3.38Å; E66-K85 PolarHBondContact OE2-NZ 3.13Å; Y68-K85 HydrophobicContact CE1-CB 4.02Å; Y68-K85 VanDerWaalsContact OH-CB 3.31Å; Y68-K85 WeakPolarHBondContact OH-CB 3.41Å; Y68-K85 WeakPolarHBondContact OH-CD 3.43Å; R81-K85 WeakPolarHBondContact CA-O 3.28Å; C82-K85 PolarHBondContact N-O 3.14Å; C82-K85 WeakPolarHBondContact O-CB 3.49Å; C82-K85 PolarHBondContact O-N 2.72Å; K85-T101 WeakPolarHBondContact CA-O 3.2Å; K85-I102 HydrophobicContact CG-CG1 4.38Å
86S97.8Very high96.9Very high0 Ų036.2 Ų36.20%018%0.18CC..EExtended strand (participates in β ladder)trans-127.7146.3167.6-54.60000110.8S80 Q100 T101 C109S80-S86 CarbonylContact O-C 3.42Å; S80-S86 WeakPolarHBondContact O-CA 3.41Å; S80-S86 WeakPolarHBondContact O-CB 3.35Å; S86-Q100 VanDerWaalsContact O-CA 3.28Å; S86-Q100 WeakPolarHBondContact O-CA 3.09Å; S86-Q100 WeakPolarHBondContact O-CG 3.46Å; S86-T101 VanDerWaalsContact CB-OG1 3.31Å; S86-T101 WeakPolarHBondContact CB-OG1 3.43Å; S86-T101 PolarHBondContact N-O 3.02Å; S86-T101 PolarHBondContact O-N 3.42Å; S86-C109 PolarHBondContact OG-SG 3.4Å
87I97.9Very high97.1Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-112.3126.6165.2-65.8-71000107.2F39 F61 F63 Y68 S80 V98 G99 Q100F39-I87 HydrophobicContact CE2-CD1 4.04Å; F39-I87 HydrophobicContact CZ-CD1 3.8Å; F61-I87 HydrophobicContact CZ-CB 4.04Å; F61-I87 HydrophobicContact CZ-CG2 4.05Å; F63-I87 HydrophobicContact CD1-CD1 4.38Å; F63-I87 HydrophobicContact CE1-CD1 4.38Å; Y68-I87 HydrophobicContact CD1-CB 4.27Å; Y68-I87 HydrophobicContact CD1-CG1 3.94Å; Y68-I87 HydrophobicContact CE1-CB 4.33Å; Y68-I87 HydrophobicContact CE1-CG1 3.62Å; Y68-I87 HydrophobicContact CE2-CG1 4.47Å; Y68-I87 HydrophobicContact CG-CG1 4.49Å; S80-I87 PolarHBondContact N-O 3.4Å; S80-I87 PolarHBondContact O-N 3.27Å; S80-I87 WeakPolarHBondContact OG-CB 3.49Å; S80-I87 PolarHBondContact OG-O 2.92Å; I87-V98 HydrophobicContact CG2-CG1 3.82Å; I87-G99 CarbonylContact C-O 3.55Å; I87-G99 WeakPolarHBondContact CA-O 3.24Å; I87-Q100 HydrophobicContact CD1-CB 3.91Å; I87-Q100 HydrophobicContact CD1-CG 3.88Å
88I98Very high97.1Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-115.6122.8-177.2-51.5179.7000107.1I79 V98 G99 T101 N113 M116I79-I88 HydrophobicContact CG1-CG2 4.43Å; I79-I88 HydrophobicContact CG2-CG1 4.44Å; I88-V98 CarbonylContact O-C 3.53Å; I88-V98 WeakPolarHBondContact O-CA 3.38Å; I88-G99 PolarHBondContact N-O 2.83Å; I88-G99 PolarHBondContact O-N 2.99Å; I88-T101 HydrophobicContact CD1-CG2 3.74Å; I88-N113 HydrophobicContact CD1-CB 3.84Å; I88-N113 WeakPolarHBondContact CG2-OD1 3.18Å; I88-M116 HydrophobicContact CB-CG 4.11Å; I88-M116 HydrophobicContact CD1-CG 4.28Å; I88-M116 HydrophobicContact CG2-CB 4Å; I88-M116 HydrophobicContact CG2-CG 3.96Å
89F97.9Very high97.2Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-115.3131.3-178.9-179.7-102.2000109.6L49 K50 L53 S77 F78 M91 C96 L97 V98L49-F89 HydrophobicContact CB-CD2 3.82Å; L49-F89 HydrophobicContact CB-CE2 3.91Å; L49-F89 HydrophobicContact CB-CG 4.28Å; L49-F89 HydrophobicContact CB-CZ 4.44Å; L49-F89 HydrophobicContact CD1-CD2 3.93Å; L49-F89 HydrophobicContact CD1-CE2 4.47Å; K50-F89 HydrophobicContact CB-CZ 4.24Å; L53-F89 HydrophobicContact CB-CE1 4.32Å; L53-F89 HydrophobicContact CD2-CE1 4.05Å; S77-F89 CarbonylContact C-O 3.21Å; S77-F89 WeakPolarHBondContact CA-O 3.42Å; S77-F89 WeakPolarHBondContact CB-O 3.44Å; F78-F89 HydrophobicContact CD1-CB 3.9Å; F78-F89 AromaticContact CD1-CD1 3.87Å; F78-F89 HydrophobicContact CD1-CD1 3.87Å; F78-F89 HydrophobicContact CD1-CG 4.26Å; F78-F89 HydrophobicContact CD2-CB 4.25Å; F78-F89 HydrophobicContact CE1-CB 3.48Å; F78-F89 VanDerWaalsContact CE1-CB 3.48Å; F78-F89 AromaticContact CE1-CD1 3.48Å; F78-F89 HydrophobicContact CE1-CD1 3.48Å; F78-F89 VanDerWaalsContact CE1-CD1 3.48Å; F78-F89 HydrophobicContact CE1-CE1 4.39Å; F78-F89 AromaticContact CE1-CG 3.64Å; F78-F89 HydrophobicContact CE1-CG 3.64Å; F78-F89 HydrophobicContact CE2-CB 3.86Å; F78-F89 HydrophobicContact CG-CB 4.26Å; F78-F89 HydrophobicContact CZ-CB 3.45Å; F78-F89 VanDerWaalsContact CZ-CB 3.45Å; F78-F89 HydrophobicContact CZ-CD1 4.26Å; F78-F89 AromaticContact CZ-CG 3.95Å; F78-F89 HydrophobicContact CZ-CG 3.95Å; F78-F89 PolarHBondContact N-O 2.91Å; F78-F89 PolarHBondContact O-N 3.43Å; F89-M91 HydrophobicContact CE1-CG 3.65Å; F89-M91 HydrophobicContact CE1-SD 3.97Å; F89-M91 HydrophobicContact CZ-CG 3.7Å; F89-M91 HydrophobicContact CZ-SD 4.16Å; F89-C96 HydrophobicContact CE2-CB 3.85Å; F89-C96 HydrophobicContact CZ-CB 4.13Å; F89-L97 WeakPolarHBondContact CA-O 3.27Å; F89-V98 HydrophobicContact CD2-CG2 3.99Å; F89-V98 HydrophobicContact CE2-CG2 4.34Å
90H97.9Very high97.2Very high10 Ų1032.6 Ų32.65%0.04616%0.157CC..EExtended strand (participates in β ladder)trans-128.7144.1169.1-73.5-100.5000110.6T76 S77 L97 C120T76-H90 CarbonylContact O-C 3.58Å; T76-H90 WeakPolarHBondContact O-CA 3.43Å; S77-H90 VanDerWaalsContact CB-ND1 3.34Å; S77-H90 WeakPolarHBondContact CB-ND1 3.36Å; H90-L97 HydrophobicContact CB-CB 4.27Å; H90-L97 HydrophobicContact CB-CD1 4.39Å; H90-L97 PolarHBondContact N-O 3.04Å; H90-L97 PolarHBondContact O-N 2.87Å; H90-C120 HydrophobicContact CB-CB 4.2Å
91M96.5Very high97.2Very high30 Ų3032.6 Ų32.615%0.14816%0.157CC..EExtended strand (participates in β ladder)trans-109136.2167.6-90.4176.338.900110.9K50 L53 T76 F89 K124K50-M91 HydrophobicContact CD-SD 4.17Å; K50-M91 HydrophobicContact CG-SD 3.86Å; L53-M91 HydrophobicContact CD2-CB 4.4Å; L53-M91 HydrophobicContact CD2-CE 4.26Å; L53-M91 HydrophobicContact CD2-CG 4.28Å; L53-M91 HydrophobicContact CD2-SD 3.58Å; L53-M91 VanDerWaalsContact CD2-SD 3.58Å; T76-M91 PolarHBondContact O-N 3.25Å; F89-M91 HydrophobicContact CE1-CG 3.65Å; F89-M91 HydrophobicContact CE1-SD 3.97Å; F89-M91 HydrophobicContact CZ-CG 3.7Å; F89-M91 HydrophobicContact CZ-SD 4.16Å; M91-K124 WeakPolarHBondContact O-CE 3.5Å
92T96.7Very high97.1Very high6 Ų631.6 Ų31.64%0.03716%0.157CC..  trans-109172.4164.271.60000108.5H27 K94 L95 L97 K124 Y128H27-T92 PolarHBondContact CE1-O 2.75Å; H27-T92 PolarHBondContact NE2-O 2.81Å; T92-K94 PolarHBondContact O-N 3.18Å; T92-L95 PolarHBondContact N-O 3.49Å; T92-L95 WeakPolarHBondContact OG1-CA 3.03Å; T92-L95 VanDerWaalsContact OG1-CB 3.22Å; T92-L95 WeakPolarHBondContact OG1-CB 3.44Å; T92-L95 PolarHBondContact OG1-N 3.37Å; T92-L95 PolarHBondContact OG1-O 2.88Å; T92-L97 HydrophobicContact CG2-CD1 4Å; T92-L97 HydrophobicContact CG2-CG 4.44Å; T92-K124 HydrophobicContact CG2-CG 4.08Å; T92-Y128 VanDerWaalsContact CB-O 3.25Å; T92-Y128 WeakPolarHBondContact CB-O 3.48Å; T92-Y128 WeakPolarHBondContact CB-OXT 3.05Å; T92-Y128 VanDerWaalsContact OG1-C 3.23Å; T92-Y128 PolarHBondContact OG1-O 2.79Å; T92-Y128 PolarHBondContact OG1-OXT 2.75Å
93P95.1Very high97Very high75 Ų7532 Ų3249%0.48716%0.158SC..SBendtrans-45-33.9174-34.832.9000116.6H27 Y128H27-P93 PolarHBondContact CE1-O 2.97Å; P93-Y128 WeakPolarHBondContact CD-O 3.11Å
94K96.3Very high96.9Very high107 Ų10729 Ų2947%0.46514%0.143SC..SBendtrans-128.9-16.2-176-56179.4179.3149.40114.6D26 H27 T92 N127 Y128D26-K94 WeakPolarHBondContact CA-O 3.07Å; H27-K94 PolarHBondContact CD2-O 2.92Å; H27-K94 VanDerWaalsContact CD2-O 3.24Å; H27-K94 PolarHBondContact N-O 3.36Å; T92-K94 PolarHBondContact O-N 3.18Å; K94-N127 WeakPolarHBondContact CD-O 3.13Å; K94-N127 VanDerWaalsContact CE-O 3.23Å; K94-N127 WeakPolarHBondContact CE-O 3.43Å; K94-N127 PolarHBondContact NZ-O 2.8Å; K94-Y128 VanDerWaalsContact CA-OXT 3.26Å; K94-Y128 WeakPolarHBondContact CA-OXT 3.1Å; K94-Y128 WeakPolarHBondContact CB-OXT 3.38Å; K94-Y128 PolarHBondContact N-OXT 2.67Å
95L97.5Very high96.7Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-116.4154-175-50.5174.7000112.7W5 I24 T25 H27 Y32 T92 L97 Y123 Y128W5-L95 HydrophobicContact CH2-CD1 3.96Å; W5-L95 HydrophobicContact CZ3-CD1 4.18Å; I24-L95 HydrophobicContact CG2-CB 4.38Å; I24-L95 HydrophobicContact CG2-CD1 4.02Å; I24-L95 HydrophobicContact CG2-CD2 4.28Å; I24-L95 HydrophobicContact CG2-CG 4.47Å; T25-L95 CarbonylContact O-C 3.59Å; T25-L95 VanDerWaalsContact O-CA 3.24Å; T25-L95 WeakPolarHBondContact O-CA 3.03Å; T25-L95 WeakPolarHBondContact O-CB 3.41Å; H27-L95 PolarHBondContact NE2-O 3.23Å; Y32-L95 HydrophobicContact CD2-CD2 3.83Å; Y32-L95 HydrophobicContact CE2-CD2 3.58Å; T92-L95 PolarHBondContact N-O 3.49Å; T92-L95 WeakPolarHBondContact OG1-CA 3.03Å; T92-L95 VanDerWaalsContact OG1-CB 3.22Å; T92-L95 WeakPolarHBondContact OG1-CB 3.44Å; T92-L95 PolarHBondContact OG1-N 3.37Å; T92-L95 PolarHBondContact OG1-O 2.88Å; L95-L97 HydrophobicContact CB-CD2 4.18Å; L95-L97 HydrophobicContact CD1-CD2 4.47Å; L95-Y123 HydrophobicContact CD1-CD1 4.11Å; L95-Y123 HydrophobicContact CD1-CD2 4.13Å; L95-Y123 HydrophobicContact CD1-CG 3.91Å; L95-Y128 HydrophobicContact CD1-CD1 4.07Å; L95-Y128 HydrophobicContact CD1-CG 4.33Å; L95-Y128 HydrophobicContact CD2-CD1 4.31Å; L95-Y128 HydrophobicContact CG-CD1 4.25Å; L95-Y128 PolarHBondContact N-OXT 2.87Å
96C97.7Very high96.3Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-111.2130161.5-65.90000108I24 T25 V46 F89I24-C96 WeakPolarHBondContact CA-O 3.48Å; T25-C96 PolarHBondContact N-O 3.01Å; T25-C96 PolarHBondContact O-N 3.3Å; T25-C96 WeakPolarHBondContact OG1-CB 3.44Å; V46-C96 HydrophobicContact CG1-CB 3.88Å; F89-C96 HydrophobicContact CE2-CB 3.85Å; F89-C96 HydrophobicContact CZ-CB 4.13Å
97L98.1Very high96Very high0 Ų036.8 Ų36.80%019%0.193CC..EExtended strand (participates in β ladder)trans-115.3122.9180-46.9175.3000108.1I24 F89 H90 T92 L95 M116 I119 C120 Y123I24-L97 HydrophobicContact CB-CD2 4.17Å; I24-L97 HydrophobicContact CD1-CD2 3.88Å; I24-L97 HydrophobicContact CG1-CD2 3.65Å; I24-L97 HydrophobicContact CG2-CD2 3.79Å; F89-L97 WeakPolarHBondContact CA-O 3.27Å; H90-L97 HydrophobicContact CB-CB 4.27Å; H90-L97 HydrophobicContact CB-CD1 4.39Å; H90-L97 PolarHBondContact N-O 3.04Å; H90-L97 PolarHBondContact O-N 2.87Å; T92-L97 HydrophobicContact CG2-CD1 4Å; T92-L97 HydrophobicContact CG2-CG 4.44Å; L95-L97 HydrophobicContact CB-CD2 4.18Å; L95-L97 HydrophobicContact CD1-CD2 4.47Å; L97-M116 HydrophobicContact CB-CE 3.72Å; L97-I119 HydrophobicContact CD1-CG2 4.29Å; L97-C120 HydrophobicContact CD1-CB 3.79Å; L97-Y123 HydrophobicContact CD1-CD2 4.41Å; L97-Y123 HydrophobicContact CD2-CD2 4.26Å
98V98.4Very high95.7Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-120.6115.5179.2-162.80000109.5L22 H23 F39 L41 L49 I87 I88 F89L22-V98 CarbonylContact C-O 3.48Å; L22-V98 WeakPolarHBondContact CA-O 3.47Å; H23-V98 HydrophobicContact CB-CB 4.48Å; H23-V98 PolarHBondContact N-O 3.37Å; H23-V98 PolarHBondContact O-N 3.29Å; F39-V98 HydrophobicContact CZ-CG1 4.49Å; L41-V98 HydrophobicContact CD1-CB 3.48Å; L41-V98 VanDerWaalsContact CD1-CB 3.48Å; L41-V98 HydrophobicContact CD1-CG1 3.53Å; L41-V98 HydrophobicContact CD1-CG2 3.59Å; L49-V98 HydrophobicContact CD1-CG1 3.85Å; L49-V98 HydrophobicContact CD1-CG2 4.01Å; I87-V98 HydrophobicContact CG2-CG1 3.82Å; I88-V98 CarbonylContact O-C 3.53Å; I88-V98 WeakPolarHBondContact O-CA 3.38Å; F89-V98 HydrophobicContact CD2-CG2 3.99Å; F89-V98 HydrophobicContact CE2-CG2 4.34Å
99G97.9Very high95.5Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-107.2145.1177.100000111.8H21 I87 I88 M116H21-G99 CarbonylContact O-C 3.55Å; H21-G99 VanDerWaalsContact O-CA 3.3Å; H21-G99 WeakPolarHBondContact O-CA 3.34Å; I87-G99 CarbonylContact C-O 3.55Å; I87-G99 WeakPolarHBondContact CA-O 3.24Å; I88-G99 PolarHBondContact N-O 2.83Å; I88-G99 PolarHBondContact O-N 2.99Å; G99-M116 VanDerWaalsContact CA-SD 3.57Å
100Q97.5Very high95.3Very high14 Ų1446.2 Ų46.27%0.06524%0.244CC..EExtended strand (participates in β ladder)trans-116.4134.2167.6-169.2-178.541.800110.4K20 H21 F39 S86 I87K20-Q100 WeakPolarHBondContact CA-O 3.28Å; K20-Q100 WeakPolarHBondContact CB-O 3.48Å; K20-Q100 PolarHBondContact N-O 2.97Å; H21-Q100 HydrophobicContact CB-CB 4.13Å; H21-Q100 PolarHBondContact CE1-OE1 2.87Å; H21-Q100 PolarHBondContact N-O 2.96Å; H21-Q100 PolarHBondContact ND1-OE1 3.43Å; H21-Q100 PolarHBondContact O-N 2.99Å; F39-Q100 HydrophobicContact CE1-CB 4.48Å; F39-Q100 HydrophobicContact CE2-CB 3.79Å; F39-Q100 HydrophobicContact CE2-CG 4.33Å; F39-Q100 HydrophobicContact CZ-CB 3.75Å; S86-Q100 VanDerWaalsContact O-CA 3.28Å; S86-Q100 WeakPolarHBondContact O-CA 3.09Å; S86-Q100 WeakPolarHBondContact O-CG 3.46Å; I87-Q100 HydrophobicContact CD1-CB 3.91Å; I87-Q100 HydrophobicContact CD1-CG 3.88Å
101T97.2Very high95.1Very high0 Ų048.4 Ų48.40%026%0.259CS..EExtended strand (participates in β ladder)trans-115.5152.8168.974.40000109.7S18 L19 K85 S86 I88S18-T101 WeakPolarHBondContact O-CB 3.22Å; S18-T101 WeakPolarHBondContact O-CG2 3.41Å; L19-T101 HydrophobicContact CD1-CG2 4.39Å; K85-T101 WeakPolarHBondContact CA-O 3.2Å; S86-T101 VanDerWaalsContact CB-OG1 3.31Å; S86-T101 WeakPolarHBondContact CB-OG1 3.43Å; S86-T101 PolarHBondContact N-O 3.02Å; S86-T101 PolarHBondContact O-N 3.42Å; I88-T101 HydrophobicContact CD1-CG2 3.74Å
102I95.9Very high95.1Very high64 Ų6447 Ų4733%0.32825%0.252SS..EExtended strand (participates in β ladder)trans-131.1114.9171.5-54-178.3000106.9K20 K84 K85 D104K20-I102 HydrophobicContact CB-CG1 4.33Å; K20-I102 HydrophobicContact CG-CD1 4.07Å; K20-I102 HydrophobicContact CG-CG1 4.4Å; K84-I102 CarbonylContact O-C 3.54Å; K84-I102 WeakPolarHBondContact O-CA 3.4Å; K85-I102 HydrophobicContact CG-CG1 4.38Å; I102-D104 PolarHBondContact O-N 3.34Å
103D95Very high95.1Very high26 Ų2648.1 Ų48.114%0.13926%0.258CS..  trans-69126.1179.6-69.89.1000109.8R81 K84 N107 N108 C109R81-D103 IonicContact CZ-OD2 3.18Å; R81-D103 IonicContact NH1-OD2 2.87Å; R81-D103 PolarHBondContact NH1-OD2 3.24Å; R81-D103 IonicContact NH2-OD2 2.67Å; R81-D103 PolarHBondContact NH2-OD2 3.5Å; K84-D103 HydrophobicContact CB-CB 4.17Å; K84-D103 PolarHBondContact O-N 3.24Å; D103-N107 CarbonylContact C-O 3.57Å; D103-N107 VanDerWaalsContact CA-O 3.32Å; D103-N107 WeakPolarHBondContact CA-O 3.46Å; D103-N108 WeakPolarHBondContact OD1-CA 3.31Å; D103-C109 PolarHBondContact OD1-N 3.15Å
104D93.6Very high95.1Very high86 Ų8650.2 Ų50.246%0.4626%0.261SS..  trans-133.6-163.9173.768.236.8000110I102 L106 N107I102-D104 PolarHBondContact O-N 3.34Å; D104-L106 PolarHBondContact O-N 3.2Å; D104-L106 WeakPolarHBondContact OD1-CA 3.49Å; D104-L106 PolarHBondContact OD1-N 3.4Å; D104-N107 PolarHBondContact N-O 3.29Å; D104-N107 WeakPolarHBondContact OD1-CB 3.42Å; D104-N107 PolarHBondContact OD1-N 3.48Å; D104-N107 PolarHBondContact OD1-ND2 3.19Å; D104-N107 PolarHBondContact OD2-ND2 3.01Å
105N90.7Very high95.2Very high169 Ų16945.1 Ų45.190%0.90424%0.239SC*.SBendtrans-70.3-18.4-177.7-66-15.3000113.8
106L89.5Confident95.2Very high157 Ų15745.1 Ų45.182%0.82224%0.239SC*.SBendtrans-119-26.9-174.3-61.3176.1000112.4D104D104-L106 PolarHBondContact O-N 3.2Å; D104-L106 WeakPolarHBondContact OD1-CA 3.49Å; D104-L106 PolarHBondContact OD1-N 3.4Å
107N90.9Very high95.1Very high29 Ų2946.7 Ų46.716%0.15525%0.249CC..  trans-118.4142.1-172.3-62.7-66.2000110.7S18 D103 D104S18-N107 WeakPolarHBondContact CA-OD1 3.21Å; S18-N107 PolarHBondContact N-OD1 2.83Å; S18-N107 PolarHBondContact OG-OD1 2.76Å; D103-N107 CarbonylContact C-O 3.57Å; D103-N107 VanDerWaalsContact CA-O 3.32Å; D103-N107 WeakPolarHBondContact CA-O 3.46Å; D104-N107 PolarHBondContact N-O 3.29Å; D104-N107 WeakPolarHBondContact OD1-CB 3.42Å; D104-N107 PolarHBondContact OD1-N 3.48Å; D104-N107 PolarHBondContact OD1-ND2 3.19Å; D104-N107 PolarHBondContact OD2-ND2 3.01Å
108N91.7Very high95Very high67 Ų6749 Ų4936%0.35827%0.266SS..  trans-147.6176.1169.765.966000112.1D103 N110 P111D103-N108 WeakPolarHBondContact OD1-CA 3.31Å; N108-N110 PolarHBondContact O-N 2.66Å; N108-N110 WeakPolarHBondContact OD1-CB 3.35Å; N108-N110 PolarHBondContact OD1-N 2.94Å; N108-P111 VanDerWaalsContact O-CD 3.24Å; N108-P111 WeakPolarHBondContact O-CD 3.44Å; N108-P111 WeakPolarHBondContact O-CG 3.2Å; N108-P111 WeakPolarHBondContact OD1-CD 3.31Å
109C93.7Very high95Very high7 Ų749.5 Ų49.55%0.04727%0.268CS..Hα-helixtrans-56.5-29.4-178-170.30000114.9S86 D103 G112 N113S86-C109 PolarHBondContact OG-SG 3.4Å; D103-C109 PolarHBondContact OD1-N 3.15Å; C109-G112 PolarHBondContact O-N 2.74Å; C109-N113 VanDerWaalsContact O-CB 3.28Å; C109-N113 WeakPolarHBondContact O-CB 3.41Å; C109-N113 PolarHBondContact O-N 2.9Å
110N94Very high94.9Very high124 Ų12449.5 Ų49.566%0.66327%0.268SS*.Hα-helixtrans-67.1-55.7-175.1-70.4-17.7000113.3N108 G112 N113 H114N108-N110 PolarHBondContact O-N 2.66Å; N108-N110 WeakPolarHBondContact OD1-CB 3.35Å; N108-N110 PolarHBondContact OD1-N 2.94Å; N110-G112 VanDerWaalsContact C-N 3.27Å; N110-G112 PolarHBondContact O-N 3.44Å; N110-N113 PolarHBondContact O-N 3.13Å; N110-H114 PolarHBondContact O-N 2.88Å
111P94.3Very high94.9Very high55 Ų5553.6 Ų53.636%0.35729%0.29SS..Hα-helixtrans-62.7-32.9173.721.8-30.3000112.5S18 N108 H114 A115S18-P111 VanDerWaalsContact OG-CG 3.27Å; S18-P111 WeakPolarHBondContact OG-CG 3.32Å; N108-P111 VanDerWaalsContact O-CD 3.24Å; N108-P111 WeakPolarHBondContact O-CD 3.44Å; N108-P111 WeakPolarHBondContact O-CG 3.2Å; N108-P111 WeakPolarHBondContact OD1-CD 3.31Å; P111-H114 WeakPolarHBondContact O-CB 3.45Å; P111-H114 PolarHBondContact O-N 2.76Å; P111-A115 PolarHBondContact O-N 2.89Å
112G95.8Very high94.8Very high0 Ų058.9 Ų58.90%031%0.311CS..Hα-helixtrans-64.5-39.1172.900000113.1C109 N110 A115 M116C109-G112 PolarHBondContact O-N 2.74Å; N110-G112 VanDerWaalsContact C-N 3.27Å; N110-G112 PolarHBondContact O-N 3.44Å; G112-A115 WeakPolarHBondContact O-CB 3.1Å; G112-A115 PolarHBondContact O-N 2.76Å; G112-M116 WeakPolarHBondContact O-CG 3.44Å; G112-M116 PolarHBondContact O-N 2.94Å
113N96.1Very high94.9Very high30 Ų3056.1 Ų56.116%0.1630%0.296CS..Hα-helixtrans-67.2-36.6173.6-174.561.7000112.3I79 I88 C109 N110 M116 S117I79-N113 HydrophobicContact CD1-CB 4.23Å; I79-N113 WeakPolarHBondContact CD1-OD1 3.33Å; I88-N113 HydrophobicContact CD1-CB 3.84Å; I88-N113 WeakPolarHBondContact CG2-OD1 3.18Å; C109-N113 VanDerWaalsContact O-CB 3.28Å; C109-N113 WeakPolarHBondContact O-CB 3.41Å; C109-N113 PolarHBondContact O-N 2.9Å; N110-N113 PolarHBondContact O-N 3.13Å; N113-M116 PolarHBondContact O-N 3.01Å; N113-S117 PolarHBondContact O-N 2.87Å; N113-S117 PolarHBondContact O-OG 3.36Å
114H96.1Very high94.9Very high120 Ų12058.3 Ų58.356%0.55631%0.305SS*.Hα-helixtrans-61.5-46.5172.8-176.861.8000111N110 P111 M116 S117 C118N110-H114 PolarHBondContact O-N 2.88Å; P111-H114 WeakPolarHBondContact O-CB 3.45Å; P111-H114 PolarHBondContact O-N 2.76Å; H114-M116 VanDerWaalsContact C-N 3.32Å; H114-M116 PolarHBondContact O-N 3.29Å; H114-S117 WeakPolarHBondContact O-CB 3.11Å; H114-S117 PolarHBondContact O-N 2.73Å; H114-C118 PolarHBondContact O-N 3.31Å; H114-C118 PolarHBondContact O-SG 3.28Å; H114-C118 VanDerWaalsContact O-SG 3.34Å
115A97Very high95Very high0 Ų062.2 Ų62.20%032%0.317CS..Hα-helixtrans-58.1-42.2175.700000112.7H12 H16 L19 P111 G112 S117 C118 I119H12-A115 PolarHBondContact CE1-O 2.55Å; H12-A115 PolarHBondContact NE2-O 2.7Å; H16-A115 HydrophobicContact CB-CB 3.48Å; H16-A115 VanDerWaalsContact CB-CB 3.48Å; L19-A115 HydrophobicContact CB-CB 4.41Å; L19-A115 HydrophobicContact CD2-CB 4.42Å; P111-A115 PolarHBondContact O-N 2.89Å; G112-A115 WeakPolarHBondContact O-CB 3.1Å; G112-A115 PolarHBondContact O-N 2.76Å; A115-S117 VanDerWaalsContact C-N 3.34Å; A115-C118 PolarHBondContact O-N 2.86Å; A115-I119 PolarHBondContact O-N 3.48Å
116M98.1Very high95.2Very high0 Ų060.2 Ų60.20%030%0.298CS..Hα-helixtrans-64.2-37.9174.3-73.1-60.1-63.100112.8L19 L22 I88 L97 G99 G112 N113 H114 I119 C120L19-M116 HydrophobicContact CD1-CG 3.91Å; L19-M116 HydrophobicContact CD1-SD 3.84Å; L19-M116 HydrophobicContact CD2-CG 4.49Å; L19-M116 HydrophobicContact CD2-SD 3.9Å; L22-M116 HydrophobicContact CD1-CE 4.01Å; L22-M116 HydrophobicContact CD1-SD 3.77Å; I88-M116 HydrophobicContact CB-CG 4.11Å; I88-M116 HydrophobicContact CD1-CG 4.28Å; I88-M116 HydrophobicContact CG2-CB 4Å; I88-M116 HydrophobicContact CG2-CG 3.96Å; L97-M116 HydrophobicContact CB-CE 3.72Å; G99-M116 VanDerWaalsContact CA-SD 3.57Å; G112-M116 WeakPolarHBondContact O-CG 3.44Å; G112-M116 PolarHBondContact O-N 2.94Å; N113-M116 PolarHBondContact O-N 3.01Å; H114-M116 VanDerWaalsContact C-N 3.32Å; H114-M116 PolarHBondContact O-N 3.29Å; M116-I119 VanDerWaalsContact O-CG2 3.27Å; M116-I119 WeakPolarHBondContact O-CG2 3.35Å; M116-C120 VanDerWaalsContact O-CB 3.24Å; M116-C120 WeakPolarHBondContact O-CB 3.43Å; M116-C120 PolarHBondContact O-N 2.87Å; M116-C120 VanDerWaalsContact O-N 3.08Å
117S96.6Very high95.3Very high32 Ų3257.6 Ų57.622%0.22429%0.285CS..Hα-helixtrans-66.7-44.3177.3-55.80000111N113 H114 A115 I119 C120 D121N113-S117 PolarHBondContact O-N 2.87Å; N113-S117 PolarHBondContact O-OG 3.36Å; H114-S117 WeakPolarHBondContact O-CB 3.11Å; H114-S117 PolarHBondContact O-N 2.73Å; A115-S117 VanDerWaalsContact C-N 3.34Å; S117-I119 PolarHBondContact O-N 3.35Å; S117-C120 WeakPolarHBondContact O-CB 3.38Å; S117-C120 PolarHBondContact O-N 3.04Å; S117-D121 PolarHBondContact O-N 2.89Å
118C96Very high95.1Very high50 Ų5060.7 Ų60.734%0.33830%0.295SS..Hα-helixtrans-59.1-46.1179-68.50000113H114 A115 C120 D121 Y122H114-C118 PolarHBondContact O-N 3.31Å; H114-C118 PolarHBondContact O-SG 3.28Å; H114-C118 VanDerWaalsContact O-SG 3.34Å; A115-C118 PolarHBondContact O-N 2.86Å; C118-C120 VanDerWaalsContact C-N 3.35Å; C118-D121 PolarHBondContact O-N 2.86Å; C118-Y122 PolarHBondContact O-N 2.7Å
119I96.7Very high95.3Very high10 Ų1060.4 Ų60.45%0.05129%0.292CS..Hα-helixtrans-70.5-33.5178.5-167.8172000112H12 L22 I24 L97 A115 M116 S117 Y122 Y123H12-I119 HydrophobicContact CB-CD1 4.35Å; L22-I119 HydrophobicContact CD2-CD1 3.55Å; I24-I119 HydrophobicContact CD1-CD1 4.17Å; L97-I119 HydrophobicContact CD1-CG2 4.29Å; A115-I119 PolarHBondContact O-N 3.48Å; M116-I119 VanDerWaalsContact O-CG2 3.27Å; M116-I119 WeakPolarHBondContact O-CG2 3.35Å; S117-I119 PolarHBondContact O-N 3.35Å; I119-Y122 PolarHBondContact O-N 2.89Å; I119-Y123 HydrophobicContact CD1-CE2 3.75Å; I119-Y123 HydrophobicContact CG1-CD2 3.82Å; I119-Y123 HydrophobicContact CG1-CE2 3.42Å; I119-Y123 VanDerWaalsContact CG1-CE2 3.42Å; I119-Y123 WeakPolarHBondContact O-CD2 3.4Å; I119-Y123 PolarHBondContact O-N 2.66Å; I119-Y123 VanDerWaalsContact O-N 3.08Å
120C97Very high95.3Very high0 Ų063.2 Ų63.20%031%0.305CS..Hα-helixtrans-61.8-48.2173-174.60000111.4H90 L97 M116 S117 C118 Y122 Y123 K124H90-C120 HydrophobicContact CB-CB 4.2Å; L97-C120 HydrophobicContact CD1-CB 3.79Å; M116-C120 VanDerWaalsContact O-CB 3.24Å; M116-C120 WeakPolarHBondContact O-CB 3.43Å; M116-C120 PolarHBondContact O-N 2.87Å; M116-C120 VanDerWaalsContact O-N 3.08Å; S117-C120 WeakPolarHBondContact O-CB 3.38Å; S117-C120 PolarHBondContact O-N 3.04Å; C118-C120 VanDerWaalsContact C-N 3.35Å; C120-Y122 VanDerWaalsContact C-N 3.32Å; C120-Y122 PolarHBondContact O-N 3.17Å; C120-Y123 PolarHBondContact O-N 2.92Å; C120-K124 WeakPolarHBondContact O-CB 3.35Å; C120-K124 WeakPolarHBondContact O-CG 3.48Å; C120-K124 PolarHBondContact O-N 2.81Å; C120-K124 WeakPolarHBondContact SG-CE 3.44Å
121D96.7Very high95.4Very high99 Ų9959.8 Ų59.853%0.52929%0.285SS..Hα-helixtrans-64.6-37.8178.7-69.5-19.3000111.9S117 C118 K124 K125S117-D121 PolarHBondContact O-N 2.89Å; C118-D121 PolarHBondContact O-N 2.86Å; D121-K124 PolarHBondContact O-N 2.98Å; D121-K125 WeakPolarHBondContact O-CB 3.43Å; D121-K125 PolarHBondContact O-N 2.82Å
122Y96.3Very high95.5Very high111 Ų11160.1 Ų60.144%0.43528%0.281SS..Hα-helixtrans-56.2-53171.8176.8-89.4000111.1C118 I119 C120 K125 Y126C118-Y122 PolarHBondContact O-N 2.7Å; I119-Y122 PolarHBondContact O-N 2.89Å; C120-Y122 VanDerWaalsContact C-N 3.32Å; C120-Y122 PolarHBondContact O-N 3.17Å; Y122-K125 WeakPolarHBondContact O-CB 3.32Å; Y122-K125 PolarHBondContact O-N 3.01Å; Y122-Y126 HydrophobicContact CD1-CD2 4.28Å; Y122-Y126 HydrophobicContact CD1-CE2 4.44Å; Y122-Y126 HydrophobicContact CD2-CD2 4.47Å; Y122-Y126 AromaticContact CD2-CE2 3.9Å; Y122-Y126 HydrophobicContact CD2-CE2 3.9Å; Y122-Y126 AromaticContact CE1-CD2 3.97Å; Y122-Y126 HydrophobicContact CE1-CD2 3.97Å; Y122-Y126 HydrophobicContact CE1-CE2 4.03Å; Y122-Y126 HydrophobicContact CE2-CD2 4.2Å; Y122-Y126 AromaticContact CE2-CE2 3.45Å; Y122-Y126 HydrophobicContact CE2-CE2 3.45Å; Y122-Y126 VanDerWaalsContact CE2-CE2 3.45Å; Y122-Y126 HydrophobicContact CG-CE2 4.37Å; Y122-Y126 AromaticContact CZ-CD2 3.93Å; Y122-Y126 AromaticContact CZ-CE2 3.51Å; Y122-Y126 WeakPolarHBondContact O-CD2 3.49Å; Y122-Y126 PolarHBondContact O-N 3.23Å
123Y96.7Very high95.5Very high6 Ų663.9 Ų63.92%0.02430%0.299CS..Hα-helixtrans-68.1-38.8-178.1-74.3-54.9000113W5 I24 L95 L97 I119 C120 K125 Y126 N127 Y128W5-Y123 HydrophobicContact CH2-CD1 4.25Å; W5-Y123 AromaticContact CH2-CE1 3.57Å; W5-Y123 HydrophobicContact CH2-CE1 3.57Å; W5-Y123 AromaticContact CH2-CZ 3.9Å; W5-Y123 HydrophobicContact CZ3-CD1 4.5Å; W5-Y123 AromaticContact CZ3-CE1 3.6Å; W5-Y123 HydrophobicContact CZ3-CE1 3.6Å; W5-Y123 HydrophobicContact CZ3-CE2 4.13Å; W5-Y123 AromaticContact CZ3-CZ 3.4Å; W5-Y123 WeakPolarHBondContact CZ3-OH 3.31Å; I24-Y123 HydrophobicContact CD1-CE2 3.75Å; L95-Y123 HydrophobicContact CD1-CD1 4.11Å; L95-Y123 HydrophobicContact CD1-CD2 4.13Å; L95-Y123 HydrophobicContact CD1-CG 3.91Å; L97-Y123 HydrophobicContact CD1-CD2 4.41Å; L97-Y123 HydrophobicContact CD2-CD2 4.26Å; I119-Y123 HydrophobicContact CD1-CE2 3.75Å; I119-Y123 HydrophobicContact CG1-CD2 3.82Å; I119-Y123 HydrophobicContact CG1-CE2 3.42Å; I119-Y123 VanDerWaalsContact CG1-CE2 3.42Å; I119-Y123 WeakPolarHBondContact O-CD2 3.4Å; I119-Y123 PolarHBondContact O-N 2.66Å; I119-Y123 VanDerWaalsContact O-N 3.08Å; C120-Y123 PolarHBondContact O-N 2.92Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 3.25Å; Y123-Y126 CarbonylContact O-C 3.6Å; Y123-Y126 PolarHBondContact O-N 2.9Å; Y123-N127 PolarHBondContact O-N 3.23Å; Y123-Y128 CarbonylContact C-O 3.5Å; Y123-Y128 HydrophobicContact CD1-CG 4.35Å; Y123-Y128 PolarHBondContact O-N 3.33Å
124K96Very high95.4Very high72 Ų7266.1 Ų66.131%0.31331%0.308SS..Hα-helixtrans-56.9-41.1173-76.2172.8174.6172.70111.9M91 T92 C120 D121 Y126 N127M91-K124 WeakPolarHBondContact O-CE 3.5Å; T92-K124 HydrophobicContact CG2-CG 4.08Å; C120-K124 WeakPolarHBondContact O-CB 3.35Å; C120-K124 WeakPolarHBondContact O-CG 3.48Å; C120-K124 PolarHBondContact O-N 2.81Å; C120-K124 WeakPolarHBondContact SG-CE 3.44Å; D121-K124 PolarHBondContact O-N 2.98Å; K124-Y126 PolarHBondContact O-N 3.01Å; K124-N127 PolarHBondContact O-N 2.93Å
125K95.7Very high95.4Very high168 Ų16862.3 Ų62.373%0.7329%0.29SS*.Hα-helixtrans-59.1-31.7176.9-175.9-178.8176.9-178.20112.7D121 Y122 Y123D121-K125 WeakPolarHBondContact O-CB 3.43Å; D121-K125 PolarHBondContact O-N 2.82Å; Y122-K125 WeakPolarHBondContact O-CB 3.32Å; Y122-K125 PolarHBondContact O-N 3.01Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 3.25Å
126Y93.9Very high95.2Very high127 Ų12767.1 Ų67.150%0.49831%0.312SS..THydrogen-bonded Turntrans-97.114.6178-65.4-75.9000113.6Y122 Y123 K124 Y128Y122-Y126 HydrophobicContact CD1-CD2 4.28Å; Y122-Y126 HydrophobicContact CD1-CE2 4.44Å; Y122-Y126 HydrophobicContact CD2-CD2 4.47Å; Y122-Y126 AromaticContact CD2-CE2 3.9Å; Y122-Y126 HydrophobicContact CD2-CE2 3.9Å; Y122-Y126 AromaticContact CE1-CD2 3.97Å; Y122-Y126 HydrophobicContact CE1-CD2 3.97Å; Y122-Y126 HydrophobicContact CE1-CE2 4.03Å; Y122-Y126 HydrophobicContact CE2-CD2 4.2Å; Y122-Y126 AromaticContact CE2-CE2 3.45Å; Y122-Y126 HydrophobicContact CE2-CE2 3.45Å; Y122-Y126 VanDerWaalsContact CE2-CE2 3.45Å; Y122-Y126 HydrophobicContact CG-CE2 4.37Å; Y122-Y126 AromaticContact CZ-CD2 3.93Å; Y122-Y126 AromaticContact CZ-CE2 3.51Å; Y122-Y126 WeakPolarHBondContact O-CD2 3.49Å; Y122-Y126 PolarHBondContact O-N 3.23Å; Y123-Y126 CarbonylContact O-C 3.6Å; Y123-Y126 PolarHBondContact O-N 2.9Å; K124-Y126 PolarHBondContact O-N 3.01Å; Y126-Y128 PolarHBondContact O-N 2.81Å; Y126-Y128 VanDerWaalsContact O-N 3.17Å
127N91.2Very high95Very high103 Ų10372.7 Ų72.755%0.55134%0.339SS*.THydrogen-bonded Turntrans54.632.4-178.7-162.133.8000113.2K94 Y123 K124K94-N127 WeakPolarHBondContact CD-O 3.13Å; K94-N127 VanDerWaalsContact CE-O 3.23Å; K94-N127 WeakPolarHBondContact CE-O 3.43Å; K94-N127 PolarHBondContact NZ-O 2.8Å; Y123-N127 PolarHBondContact O-N 3.23Å; K124-N127 PolarHBondContact O-N 2.93Å
128Y87.4Confident94.9Very high94 Ų9476.4 Ų76.437%0.36935%0.349SS..  trans-88.40158.1-83.6-86.2000109.3W5 T92 P93 K94 L95 Y123 Y126W5-Y128 HydrophobicContact CH2-CD1 4.45Å; W5-Y128 HydrophobicContact CH2-CE1 4.41Å; W5-Y128 HydrophobicContact CZ2-CE1 4.18Å; T92-Y128 VanDerWaalsContact CB-O 3.25Å; T92-Y128 WeakPolarHBondContact CB-O 3.48Å; T92-Y128 WeakPolarHBondContact CB-OXT 3.05Å; T92-Y128 VanDerWaalsContact OG1-C 3.23Å; T92-Y128 PolarHBondContact OG1-O 2.79Å; T92-Y128 PolarHBondContact OG1-OXT 2.75Å; P93-Y128 WeakPolarHBondContact CD-O 3.11Å; K94-Y128 VanDerWaalsContact CA-OXT 3.26Å; K94-Y128 WeakPolarHBondContact CA-OXT 3.1Å; K94-Y128 WeakPolarHBondContact CB-OXT 3.38Å; K94-Y128 PolarHBondContact N-OXT 2.67Å; L95-Y128 HydrophobicContact CD1-CD1 4.07Å; L95-Y128 HydrophobicContact CD1-CG 4.33Å; L95-Y128 HydrophobicContact CD2-CD1 4.31Å; L95-Y128 HydrophobicContact CG-CD1 4.25Å; L95-Y128 PolarHBondContact N-OXT 2.87Å; Y123-Y128 CarbonylContact C-O 3.5Å; Y123-Y128 HydrophobicContact CD1-CG 4.35Å; Y123-Y128 PolarHBondContact O-N 3.33Å; Y126-Y128 PolarHBondContact O-N 2.81Å; Y126-Y128 VanDerWaalsContact O-N 3.17Å

Retrieved 128 of 128 residues in 291.9 ms (Link to these results)

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