A0A077ZDB3_TRITR Loading...

Surp domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDB3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 92 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
1M48.3Very low64.1Low239 Ų239100.1 Ų100.1100%1.17752%0.52SS*.  089.40-76.5172.2158.800104.8D3M1-D3 PolarHBondContact O-N 3.21Å
2D56.2Low65.8Low163 Ų163102.1 Ų102.187%0.87255%0.549SS*.  trans-60.3128.1179.7-56.2-50.8000107.6Y4D2-Y4 VanDerWaalsContact C-N 3.32Å; D2-Y4 PolarHBondContact O-N 3.3Å
3D57.3Low67.5Low111 Ų11199.8 Ų99.859%0.59454%0.537SS*.  trans-60.590.9-173.6175.638.7000110.4M1 C5 S6M1-D3 PolarHBondContact O-N 3.21Å; D3-C5 PolarHBondContact O-N 2.99Å; D3-C5 VanDerWaalsContact O-N 3.1Å; D3-C5 WeakPolarHBondContact OD1-CB 3.44Å; D3-C5 PolarHBondContact OD1-N 3.38Å; D3-S6 PolarHBondContact O-N 2.83Å; D3-S6 VanDerWaalsContact O-N 3.09Å; D3-S6 PolarHBondContact O-OG 2.96Å
4Y56.2Low69.2Low182 Ų182102.6 Ų102.671%0.71455%0.55SS**THydrogen-bonded Turntrans-60.8-18.4-179.6-164.8-96.3000111.7D2 S6 D8D2-Y4 VanDerWaalsContact C-N 3.32Å; D2-Y4 PolarHBondContact O-N 3.3Å; Y4-S6 PolarHBondContact O-N 3.19Å; Y4-D8 WeakPolarHBondContact CE1-OD2 3.31Å
5C59.7Low70.7Confident62 Ų62102.7 Ų102.742%0.41955%0.546SS..Hα-helixtrans-63.9-28.1175.5-175.20000112D3 F7 D8 C9D3-C5 PolarHBondContact O-N 2.99Å; D3-C5 VanDerWaalsContact O-N 3.1Å; D3-C5 WeakPolarHBondContact OD1-CB 3.44Å; D3-C5 PolarHBondContact OD1-N 3.38Å; C5-F7 VanDerWaalsContact C-N 3.26Å; C5-F7 PolarHBondContact O-N 3.22Å; C5-F7 VanDerWaalsContact O-N 3.1Å; C5-D8 PolarHBondContact O-N 2.73Å; C5-C9 VanDerWaalsContact C-SG 3.59Å; C5-C9 WeakPolarHBondContact CA-SG 3.28Å; C5-C9 HydrophobicContact CB-CB 4.47Å; C5-C9 WeakPolarHBondContact CB-SG 3.48Å; C5-C9 WeakPolarHBondContact O-CB 3.26Å; C5-C9 PolarHBondContact O-N 3.3Å; C5-C9 PolarHBondContact O-SG 2.91Å; C5-C9 WeakPolarHBondContact SG-CB 3.27Å; C5-C9 CovalentContact SG-SG 2.07Å; C5-C9 PolarHBondContact SG-SG 3.13Å
6S57.8Low72Confident58 Ų5898.6 Ų98.641%0.40653%0.526SS..Hα-helixtrans-59.2-29.2-175.358.90000115.2D3 Y4D3-S6 PolarHBondContact O-N 2.83Å; D3-S6 VanDerWaalsContact O-N 3.09Å; D3-S6 PolarHBondContact O-OG 2.96Å; Y4-S6 PolarHBondContact O-N 3.19Å
7F62.2Low73.2Confident132 Ų13298.6 Ų98.658%0.57952%0.517SS*.Hα-helixtrans-94.2-34.8-178-74.2-81.8000114.5C5C5-F7 VanDerWaalsContact C-N 3.26Å; C5-F7 PolarHBondContact O-N 3.22Å; C5-F7 VanDerWaalsContact O-N 3.1Å
8D64.9Low74.5Confident42 Ų4294.7 Ų94.723%0.22550%0.504CS..Hα-helixtrans-96.7-16.2-174.3-80.4-4000113.7Y4 C5 A58Y4-D8 WeakPolarHBondContact CE1-OD2 3.31Å; C5-D8 PolarHBondContact O-N 2.73Å; D8-A58 WeakPolarHBondContact OD1-CB 3.12Å
9C75.7Confident75.6Confident41 Ų4191.6 Ų91.628%0.27749%0.487SS..SBendtrans-73.2146.5-177-69.30000110.9C5 H56C5-C9 VanDerWaalsContact C-SG 3.59Å; C5-C9 WeakPolarHBondContact CA-SG 3.28Å; C5-C9 HydrophobicContact CB-CB 4.47Å; C5-C9 WeakPolarHBondContact CB-SG 3.48Å; C5-C9 WeakPolarHBondContact O-CB 3.26Å; C5-C9 PolarHBondContact O-N 3.3Å; C5-C9 PolarHBondContact O-SG 2.91Å; C5-C9 WeakPolarHBondContact SG-CB 3.27Å; C5-C9 CovalentContact SG-SG 2.07Å; C5-C9 PolarHBondContact SG-SG 3.13Å; C9-H56 PolarHBondContact O-ND1 3.29Å
10P82.3Confident76.6Confident67 Ų6787 Ų8744%0.43546%0.463SS..PPolyproline II helixtrans-56.4143.8178.423.6-33.5000110S12 Y59P10-S12 PolarHBondContact O-N 2.85Å; P10-Y59 HydrophobicContact CB-CD2 4.18Å; P10-Y59 HydrophobicContact CB-CE2 3.66Å
11P84.8Confident77.5Confident4 Ų485 Ų853%0.02645%0.452CS..PPolyproline II helixtrans-53.3132.2174.5-17.825.1000110.5T16 R17 I20 H56 Y59P11-T16 HydrophobicContact CB-CG2 3.94Å; P11-T16 HydrophobicContact CG-CG2 3.92Å; P11-R17 HydrophobicContact CB-CB 4.17Å; P11-R17 HydrophobicContact CG-CB 4.1Å; P11-I20 HydrophobicContact CG-CD1 3.82Å; P11-H56 VanDerWaalsContact CA-CE1 3.47Å; P11-H56 WeakPolarHBondContact CA-CE1 3.24Å; P11-H56 HydrophobicContact CG-CB 4.18Å; P11-Y59 HydrophobicContact CG-CD1 4.25Å; P11-Y59 HydrophobicContact CG-CE1 4.35Å
12S84.2Confident79.8Confident124 Ų12481.1 Ų81.187%0.86743%0.429SS*.SBendtrans-65.6-32.1171.150.30000110.9P10 L14P10-S12 PolarHBondContact O-N 2.85Å; S12-L14 PolarHBondContact O-N 2.89Å
13D88.3Confident81.7Confident73 Ų7374 Ų7439%0.3939%0.391SS..SBendtrans-73.3117172.8176.851.7000111.6E15 T16 R17D13-E15 VanDerWaalsContact C-N 3.27Å; D13-E15 PolarHBondContact O-N 2.79Å; D13-T16 PolarHBondContact O-N 3.45Å; D13-T16 VanDerWaalsContact OD2-CB 3.23Å; D13-T16 WeakPolarHBondContact OD2-CB 3.23Å; D13-T16 PolarHBondContact OD2-N 3.32Å; D13-T16 PolarHBondContact OD2-OG1 2.86Å; D13-R17 WeakPolarHBondContact O-CB 3.42Å; D13-R17 PolarHBondContact O-N 3.26Å
14L91.2Very high83.7Confident138 Ų13868.8 Ų68.872%0.72336%0.363SS*.Hα-helixtrans-65.7-29.5-178.4-64.6178.8000112.5S12 G18S12-L14 PolarHBondContact O-N 2.89Å; L14-G18 PolarHBondContact O-N 3.38Å
15E91.9Very high85.6Confident104 Ų10465 Ų6549%0.48635%0.352SS..Hα-helixtrans-67.6-52.3177.4-170.6-172.7169.800110.4D13 R17 G18 I19 K47D13-E15 VanDerWaalsContact C-N 3.27Å; D13-E15 PolarHBondContact O-N 2.79Å; E15-R17 VanDerWaalsContact C-N 3.31Å; E15-R17 PolarHBondContact O-N 3.49Å; E15-G18 PolarHBondContact O-N 2.86Å; E15-G18 VanDerWaalsContact O-N 3.09Å; E15-I19 HydrophobicContact CG-CD1 4.13Å; E15-I19 WeakPolarHBondContact O-CG1 3.39Å; E15-I19 PolarHBondContact O-N 3.42Å; E15-K47 IonicContact OE1-NZ 2.64Å; E15-K47 PolarHBondContact OE1-NZ 2.89Å; E15-K47 IonicContact OE2-NZ 3.85Å
16T91Very high87.4Confident38 Ų3865.6 Ų65.623%0.23335%0.347CS..Hα-helixtrans-57.8-45.2176.8-59.90000110.8P11 D13 G18 I19 I20P11-T16 HydrophobicContact CB-CG2 3.94Å; P11-T16 HydrophobicContact CG-CG2 3.92Å; D13-T16 PolarHBondContact O-N 3.45Å; D13-T16 VanDerWaalsContact OD2-CB 3.23Å; D13-T16 WeakPolarHBondContact OD2-CB 3.23Å; D13-T16 PolarHBondContact OD2-N 3.32Å; D13-T16 PolarHBondContact OD2-OG1 2.86Å; T16-G18 VanDerWaalsContact C-N 3.34Å; T16-G18 PolarHBondContact O-N 3.47Å; T16-I19 PolarHBondContact O-N 3.31Å; T16-I20 HydrophobicContact CG2-CD1 4.03Å; T16-I20 WeakPolarHBondContact O-CG1 3.17Å; T16-I20 PolarHBondContact O-N 2.89Å
17R93.2Very high89.3Confident99 Ų9962.8 Ų62.837%0.37433%0.328SS..Hα-helixtrans-59.4-45.3174.8-177.3176.3171.7168.7-3.6111.9P11 D13 E15 I19 I20 D21 Y59P11-R17 HydrophobicContact CB-CB 4.17Å; P11-R17 HydrophobicContact CG-CB 4.1Å; D13-R17 WeakPolarHBondContact O-CB 3.42Å; D13-R17 PolarHBondContact O-N 3.26Å; E15-R17 VanDerWaalsContact C-N 3.31Å; E15-R17 PolarHBondContact O-N 3.49Å; R17-I19 PolarHBondContact O-N 3.4Å; R17-I20 PolarHBondContact O-N 3.3Å; R17-D21 IonicContact NE-OD2 3.5Å; R17-D21 WeakPolarHBondContact O-CB 3.29Å; R17-D21 VanDerWaalsContact O-CG 3.28Å; R17-D21 PolarHBondContact O-N 2.83Å; R17-Y59 HydrophobicContact CG-CE1 4.48Å
18G95.4Very high91Very high27 Ų2757.3 Ų57.328%0.27831%0.307SS..Hα-helixtrans-63.4-38.1177.700000113.2L14 E15 T16 K22L14-G18 PolarHBondContact O-N 3.38Å; E15-G18 PolarHBondContact O-N 2.86Å; E15-G18 VanDerWaalsContact O-N 3.09Å; T16-G18 VanDerWaalsContact C-N 3.34Å; T16-G18 PolarHBondContact O-N 3.47Å; G18-K22 VanDerWaalsContact O-CB 3.31Å; G18-K22 WeakPolarHBondContact O-CB 3.5Å; G18-K22 VanDerWaalsContact O-CG 3.24Å; G18-K22 WeakPolarHBondContact O-CG 3.26Å; G18-K22 PolarHBondContact O-N 3.41Å
19I95.4Very high92.4Very high36 Ų3662.5 Ų62.519%0.18532%0.323CS..Hα-helixtrans-64.2-49174.9-68.5166.1000110.2E15 T16 R17 K22 L23 K47 F48 F50E15-I19 HydrophobicContact CG-CD1 4.13Å; E15-I19 WeakPolarHBondContact O-CG1 3.39Å; E15-I19 PolarHBondContact O-N 3.42Å; T16-I19 PolarHBondContact O-N 3.31Å; R17-I19 PolarHBondContact O-N 3.4Å; I19-K22 PolarHBondContact O-N 3.34Å; I19-L23 VanDerWaalsContact O-CB 3.28Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 PolarHBondContact O-N 2.88Å; I19-K47 HydrophobicContact CD1-CB 4.27Å; I19-K47 HydrophobicContact CD1-CD 4.12Å; I19-F48 HydrophobicContact CG2-CE1 3.98Å; I19-F48 HydrophobicContact CG2-CZ 4.02Å; I19-F50 HydrophobicContact CG2-CE1 4.12Å; I19-F50 HydrophobicContact CG2-CZ 4.29Å
20I95.6Very high93.4Very high0 Ų064 Ų640%033%0.329CS..Hα-helixtrans-61.7-49-179.9-69.1172.5000110.8P11 T16 R17 K22 L23 A24 F50 H56 Y59 Y60P11-I20 HydrophobicContact CG-CD1 3.82Å; T16-I20 HydrophobicContact CG2-CD1 4.03Å; T16-I20 WeakPolarHBondContact O-CG1 3.17Å; T16-I20 PolarHBondContact O-N 2.89Å; R17-I20 PolarHBondContact O-N 3.3Å; I20-K22 PolarHBondContact O-N 3.49Å; I20-L23 PolarHBondContact O-N 2.89Å; I20-A24 VanDerWaalsContact O-CB 3.31Å; I20-A24 WeakPolarHBondContact O-CB 3.27Å; I20-A24 PolarHBondContact O-N 2.97Å; I20-F50 HydrophobicContact CD1-CD1 4.16Å; I20-F50 HydrophobicContact CD1-CE1 4.46Å; I20-F50 HydrophobicContact CD1-CG 4.21Å; I20-F50 HydrophobicContact CG1-CD1 3.86Å; I20-F50 HydrophobicContact CG1-CD2 4.13Å; I20-F50 HydrophobicContact CG1-CE1 3.68Å; I20-F50 HydrophobicContact CG1-CE2 3.96Å; I20-F50 HydrophobicContact CG1-CG 4.1Å; I20-F50 HydrophobicContact CG1-CZ 3.74Å; I20-H56 HydrophobicContact CD1-CB 3.71Å; I20-Y59 HydrophobicContact CB-CD1 4.34Å; I20-Y59 HydrophobicContact CB-CE1 4.18Å; I20-Y59 HydrophobicContact CD1-CD1 3.96Å; I20-Y59 HydrophobicContact CD1-CE1 4.43Å; I20-Y59 HydrophobicContact CG2-CD1 3.63Å; I20-Y59 HydrophobicContact CG2-CE1 3.66Å; I20-Y60 HydrophobicContact CG2-CD2 4.11Å
21D96.2Very high94Very high45 Ų4561.6 Ų61.624%0.24132%0.316CS..Hα-helixtrans-61.5-45.8-178-73.4-3.7000110.7R17 A24 E25 Y59 K63R17-D21 IonicContact NE-OD2 3.5Å; R17-D21 WeakPolarHBondContact O-CB 3.29Å; R17-D21 VanDerWaalsContact O-CG 3.28Å; R17-D21 PolarHBondContact O-N 2.83Å; D21-A24 PolarHBondContact O-N 2.96Å; D21-E25 PolarHBondContact O-N 3.26Å; D21-E25 VanDerWaalsContact O-N 3.12Å; D21-Y59 PolarHBondContact OD1-OH 3.45Å; D21-K63 WeakPolarHBondContact OD1-CE 3.28Å; D21-K63 IonicContact OD1-NZ 3.71Å; D21-K63 IonicContact OD2-NZ 3.89Å
22K96.4Very high94.5Very high158 Ų15864.7 Ų64.769%0.68734%0.336SS*.Hα-helixtrans-64.4-42.1177-75.4175.7-179.9177.30112.6G18 I19 I20 F26G18-K22 VanDerWaalsContact O-CB 3.31Å; G18-K22 WeakPolarHBondContact O-CB 3.5Å; G18-K22 VanDerWaalsContact O-CG 3.24Å; G18-K22 WeakPolarHBondContact O-CG 3.26Å; G18-K22 PolarHBondContact O-N 3.41Å; I19-K22 PolarHBondContact O-N 3.34Å; I20-K22 PolarHBondContact O-N 3.49Å; K22-F26 VanDerWaalsContact O-CB 3.26Å; K22-F26 WeakPolarHBondContact O-CB 3.37Å; K22-F26 PolarHBondContact O-N 2.87Å
23L97.1Very high95.1Very high13 Ų1364.4 Ų64.47%0.06832%0.321CS..Hα-helixtrans-67.2-43.2-179.9-177.162.8000111.1I19 I20 E25 F26 V27 T38 F48 F50 L51 Y60I19-L23 VanDerWaalsContact O-CB 3.28Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 PolarHBondContact O-N 2.88Å; I20-L23 PolarHBondContact O-N 2.89Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 3.45Å; L23-F26 HydrophobicContact CD1-CD1 4.41Å; L23-F26 PolarHBondContact O-N 3.1Å; L23-V27 HydrophobicContact CD1-CG2 3.97Å; L23-V27 HydrophobicContact CG-CG2 4.23Å; L23-V27 WeakPolarHBondContact O-CG2 3.44Å; L23-V27 PolarHBondContact O-N 3.24Å; L23-T38 HydrophobicContact CD1-CG2 3.9Å; L23-T38 HydrophobicContact CD2-CG2 4.16Å; L23-F48 HydrophobicContact CD2-CD1 4.16Å; L23-F48 HydrophobicContact CD2-CE1 4.08Å; L23-F50 HydrophobicContact CD2-CE2 3.88Å; L23-F50 HydrophobicContact CD2-CZ 3.75Å; L23-L51 HydrophobicContact CD2-CD1 3.91Å; L23-L51 HydrophobicContact CD2-CD2 3.82Å; L23-L51 HydrophobicContact CD2-CG 4.2Å; L23-Y60 HydrophobicContact CB-CE2 4.48Å; L23-Y60 HydrophobicContact CD2-CE2 4.05Å; L23-Y60 HydrophobicContact CG-CE2 4.07Å
24A97.5Very high95.5Very high2 Ų264.4 Ų64.42%0.01732%0.318CS..Hα-helixtrans-58.3-45.9176.900000111.6I20 D21 A28 Y60 K63 L64I20-A24 VanDerWaalsContact O-CB 3.31Å; I20-A24 WeakPolarHBondContact O-CB 3.27Å; I20-A24 PolarHBondContact O-N 2.97Å; D21-A24 PolarHBondContact O-N 2.96Å; A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.47Å; A24-Y60 HydrophobicContact CB-CD2 4.37Å; A24-Y60 HydrophobicContact CB-CE2 4.29Å; A24-K63 HydrophobicContact CB-CB 3.73Å; A24-L64 HydrophobicContact CB-CB 4.36Å; A24-L64 WeakPolarHBondContact O-CD1 2.96Å
25E97Very high95.7Very high103 Ų10359.8 Ų59.848%0.48129%0.293SS..Hα-helixtrans-66.2-38176.5-170.3-175.5172.800112.4D21 L23 R29D21-E25 PolarHBondContact O-N 3.26Å; D21-E25 VanDerWaalsContact O-N 3.12Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 3.45Å; E25-R29 WeakPolarHBondContact O-CG 3.31Å; E25-R29 PolarHBondContact O-N 3.26Å; E25-R29 VanDerWaalsContact O-N 3.12Å; E25-R29 PolarHBondContact O-NE 3.44Å
26F97Very high96Very high73 Ų7358.3 Ų58.332%0.3229%0.291SS..Hα-helixtrans-65-48.3177179-104000112K22 L23 R29 N30 F34K22-F26 VanDerWaalsContact O-CB 3.26Å; K22-F26 WeakPolarHBondContact O-CB 3.37Å; K22-F26 PolarHBondContact O-N 2.87Å; L23-F26 HydrophobicContact CD1-CD1 4.41Å; L23-F26 PolarHBondContact O-N 3.1Å; F26-R29 PolarHBondContact O-N 3.35Å; F26-N30 VanDerWaalsContact CD2-ND2 3.32Å; F26-N30 WeakPolarHBondContact CD2-ND2 3.48Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.44Å; F26-N30 WeakPolarHBondContact O-CB 3.34Å; F26-N30 PolarHBondContact O-N 3.05Å; F26-N30 PolarHBondContact O-ND2 3.3Å; F26-F34 HydrophobicContact CD1-CB 4.32Å; F26-F34 HydrophobicContact CD1-CD1 4.48Å; F26-F34 HydrophobicContact CE1-CB 3.8Å; F26-F34 AromaticContact CE1-CD1 3.32Å; F26-F34 HydrophobicContact CE1-CD1 3.32Å; F26-F34 HydrophobicContact CE1-CE1 4.14Å; F26-F34 AromaticContact CE1-CG 3.86Å; F26-F34 HydrophobicContact CE1-CG 3.86Å; F26-F34 AromaticContact CZ-CD1 3.33Å; F26-F34 HydrophobicContact CZ-CD1 3.33Å; F26-F34 AromaticContact CZ-CE1 3.66Å; F26-F34 HydrophobicContact CZ-CE1 3.66Å; F26-F34 HydrophobicContact CZ-CG 4.16Å
27V97.8Very high96.2Very high0 Ų060.1 Ų60.10%030%0.298CS..Hα-helixtrans-67-37.8177.3174.80000111L23 R29 G31 E35 L64L23-V27 HydrophobicContact CD1-CG2 3.97Å; L23-V27 HydrophobicContact CG-CG2 4.23Å; L23-V27 WeakPolarHBondContact O-CG2 3.44Å; L23-V27 PolarHBondContact O-N 3.24Å; V27-R29 VanDerWaalsContact C-N 3.31Å; V27-R29 PolarHBondContact O-N 2.9Å; V27-G31 CarbonylContact O-C 3.47Å; V27-G31 WeakPolarHBondContact O-CA 3.4Å; V27-G31 PolarHBondContact O-N 3.48Å; V27-E35 HydrophobicContact CG1-CB 3.87Å; V27-E35 HydrophobicContact CG2-CB 3.96Å; V27-L64 HydrophobicContact CB-CD1 3.86Å; V27-L64 HydrophobicContact CG1-CD1 3.69Å; V27-L64 HydrophobicContact CG1-CD2 4.31Å
28A97.3Very high96.3Very high16 Ų1656.4 Ų56.413%0.13229%0.287CS..Hα-helixtrans-61.7-38.417700000112.6A24 L64 A67 R68 I71A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.47Å; A28-L64 HydrophobicContact CB-CD1 4.17Å; A28-A67 HydrophobicContact CB-CB 3.51Å; A28-R68 HydrophobicContact CB-CG 3.8Å; A28-I71 HydrophobicContact CB-CD1 3.85Å; A28-I71 WeakPolarHBondContact O-CD1 3.23Å
29R96Very high96.3Very high151 Ų15160 Ų6057%0.5729%0.292SS*.Hα-helixtrans-79-37.3179.7-71.7-178.8-63.2167.8-2.7113.8E25 F26 V27 I71E25-R29 WeakPolarHBondContact O-CG 3.31Å; E25-R29 PolarHBondContact O-N 3.26Å; E25-R29 VanDerWaalsContact O-N 3.12Å; E25-R29 PolarHBondContact O-NE 3.44Å; F26-R29 PolarHBondContact O-N 3.35Å; V27-R29 VanDerWaalsContact C-N 3.31Å; V27-R29 PolarHBondContact O-N 2.9Å; R29-I71 HydrophobicContact CG-CD1 3.8Å
30N95.7Very high96.3Very high73 Ų7364.5 Ų64.539%0.3931%0.312SS..Hα-helixtrans-101-16.8-170.2-64.4-84.7000114.2F26 F34F26-N30 VanDerWaalsContact CD2-ND2 3.32Å; F26-N30 WeakPolarHBondContact CD2-ND2 3.48Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.44Å; F26-N30 WeakPolarHBondContact O-CB 3.34Å; F26-N30 PolarHBondContact O-N 3.05Å; F26-N30 PolarHBondContact O-ND2 3.3Å; N30-F34 HydrophobicContact CB-CB 4.43Å; N30-F34 HydrophobicContact CB-CD1 4.37Å; N30-F34 HydrophobicContact CB-CD2 3.33Å; N30-F34 HydrophobicContact CB-CE1 4.47Å; N30-F34 HydrophobicContact CB-CE2 3.5Å; N30-F34 HydrophobicContact CB-CG 3.79Å; N30-F34 HydrophobicContact CB-CZ 4.06Å
31G94.6Very high96.3Very high17 Ų1772.2 Ų72.218%0.17535%0.346CS..  trans110.4163.9-179.700000114.1V27 E33 F34V27-G31 CarbonylContact O-C 3.47Å; V27-G31 WeakPolarHBondContact O-CA 3.4Å; V27-G31 PolarHBondContact O-N 3.48Å; G31-E33 PolarHBondContact O-N 2.87Å; G31-F34 PolarHBondContact O-N 3.22Å
32P95.6Very high96.2Very high69 Ų6973 Ų7345%0.44835%0.348SS..THydrogen-bonded Turntrans-64-22.2-178.228.3-36000113.8F34 E35 V36P32-F34 PolarHBondContact O-N 3.46Å; P32-E35 VanDerWaalsContact O-CB 3.31Å; P32-E35 WeakPolarHBondContact O-CB 3.37Å; P32-E35 PolarHBondContact O-N 3.3Å; P32-V36 PolarHBondContact O-N 3.38Å
33E96.6Very high96Very high117 Ų11773.5 Ų73.555%0.54735%0.346SS..Hα-helixtrans-58.6-35.8177.2-59.473.9-160.900110.7G31 E35 V36 L37G31-E33 PolarHBondContact O-N 2.87Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 2.97Å; E33-V36 WeakPolarHBondContact O-CB 3.4Å; E33-V36 PolarHBondContact O-N 3.12Å; E33-L37 WeakPolarHBondContact O-CG 3.39Å; E33-L37 PolarHBondContact O-N 3.4Å
34F96.9Very high95.8Very high73 Ų7381.4 Ų81.432%0.3238%0.382SS..Hα-helixtrans-69.6-27.1177.4-79.1-92.1000113.2F26 N30 G31 P32 T38F26-F34 HydrophobicContact CD1-CB 4.32Å; F26-F34 HydrophobicContact CD1-CD1 4.48Å; F26-F34 HydrophobicContact CE1-CB 3.8Å; F26-F34 AromaticContact CE1-CD1 3.32Å; F26-F34 HydrophobicContact CE1-CD1 3.32Å; F26-F34 HydrophobicContact CE1-CE1 4.14Å; F26-F34 AromaticContact CE1-CG 3.86Å; F26-F34 HydrophobicContact CE1-CG 3.86Å; F26-F34 AromaticContact CZ-CD1 3.33Å; F26-F34 HydrophobicContact CZ-CD1 3.33Å; F26-F34 AromaticContact CZ-CE1 3.66Å; F26-F34 HydrophobicContact CZ-CE1 3.66Å; F26-F34 HydrophobicContact CZ-CG 4.16Å; N30-F34 HydrophobicContact CB-CB 4.43Å; N30-F34 HydrophobicContact CB-CD1 4.37Å; N30-F34 HydrophobicContact CB-CD2 3.33Å; N30-F34 HydrophobicContact CB-CE1 4.47Å; N30-F34 HydrophobicContact CB-CE2 3.5Å; N30-F34 HydrophobicContact CB-CG 3.79Å; N30-F34 HydrophobicContact CB-CZ 4.06Å; G31-F34 PolarHBondContact O-N 3.22Å; P32-F34 PolarHBondContact O-N 3.46Å; F34-T38 WeakPolarHBondContact O-CB 3.18Å; F34-T38 PolarHBondContact O-N 2.9Å; F34-T38 PolarHBondContact O-OG1 3.49Å
35E96.6Very high95.6Very high42 Ų4283.6 Ų83.620%0.19639%0.393CS..Hα-helixtrans-66.6-45.9169.7-174.3179.4140.100110.2V27 P32 E33 L37 T38 R39 L51 Y60V27-E35 HydrophobicContact CG1-CB 3.87Å; V27-E35 HydrophobicContact CG2-CB 3.96Å; P32-E35 VanDerWaalsContact O-CB 3.31Å; P32-E35 WeakPolarHBondContact O-CB 3.37Å; P32-E35 PolarHBondContact O-N 3.3Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 2.97Å; E35-L37 PolarHBondContact O-N 3.44Å; E35-T38 PolarHBondContact O-N 3.5Å; E35-R39 HydrophobicContact CG-CG 4.5Å; E35-R39 WeakPolarHBondContact O-CB 3.3Å; E35-R39 VanDerWaalsContact O-CG 3.29Å; E35-R39 WeakPolarHBondContact O-CG 3.24Å; E35-R39 PolarHBondContact O-N 3.12Å; E35-L51 HydrophobicContact CG-CD2 4.33Å; E35-Y60 VanDerWaalsContact CD-OH 3.24Å; E35-Y60 WeakPolarHBondContact CG-OH 3.35Å; E35-Y60 PolarHBondContact OE2-OH 3.49Å
36V96.7Very high95.3Very high73 Ų7383.7 Ų83.744%0.44240%0.403SS..Hα-helixtrans-59.4-48.7177.5-179.40000110.7P32 E33 T38 R39 E40P32-V36 PolarHBondContact O-N 3.38Å; E33-V36 WeakPolarHBondContact O-CB 3.4Å; E33-V36 PolarHBondContact O-N 3.12Å; V36-T38 VanDerWaalsContact C-N 3.3Å; V36-T38 PolarHBondContact O-N 3.06Å; V36-R39 WeakPolarHBondContact O-CB 3.33Å; V36-R39 PolarHBondContact O-N 3.2Å; V36-R39 VanDerWaalsContact O-N 3.14Å; V36-E40 WeakPolarHBondContact O-CG 3.46Å; V36-E40 PolarHBondContact O-N 3.42Å
37L95.9Very high94.9Very high75 Ų7584.8 Ų84.839%0.39341%0.407SS..Hα-helixtrans-60.3-38.8176.7-68.4174.3000112.4E33 E35 E40 K41E33-L37 WeakPolarHBondContact O-CG 3.39Å; E33-L37 PolarHBondContact O-N 3.4Å; E35-L37 PolarHBondContact O-N 3.44Å; L37-E40 PolarHBondContact O-N 3.43Å; L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 WeakPolarHBondContact O-CG 3.29Å; L37-K41 PolarHBondContact O-N 2.92Å
38T95.6Very high94.7Very high22 Ų2286.3 Ų86.314%0.13541%0.414CS..Hα-helixtrans-67.6-41.2176.7-57.40000110.9L23 F34 E35 V36 E40 K41 Q42 F48 L51L23-T38 HydrophobicContact CD1-CG2 3.9Å; L23-T38 HydrophobicContact CD2-CG2 4.16Å; F34-T38 WeakPolarHBondContact O-CB 3.18Å; F34-T38 PolarHBondContact O-N 2.9Å; F34-T38 PolarHBondContact O-OG1 3.49Å; E35-T38 PolarHBondContact O-N 3.5Å; V36-T38 VanDerWaalsContact C-N 3.3Å; V36-T38 PolarHBondContact O-N 3.06Å; T38-E40 VanDerWaalsContact C-N 3.32Å; T38-E40 PolarHBondContact O-N 3.47Å; T38-K41 PolarHBondContact O-N 2.95Å; T38-Q42 HydrophobicContact CG2-CG 4.13Å; T38-Q42 VanDerWaalsContact O-CB 3.29Å; T38-Q42 WeakPolarHBondContact O-CB 3.38Å; T38-Q42 PolarHBondContact O-N 3.44Å; T38-F48 HydrophobicContact CG2-CD1 4Å; T38-F48 HydrophobicContact CG2-CE1 3.87Å; T38-L51 HydrophobicContact CG2-CD1 3.89Å
39R95.5Very high94.4Very high102 Ų10288.3 Ų88.339%0.38543%0.427SS..Hα-helixtrans-60.9-40.3174.7-73.817568.7-160.9-2.7111.8E35 V36 R43 L51 F52E35-R39 HydrophobicContact CG-CG 4.5Å; E35-R39 WeakPolarHBondContact O-CB 3.3Å; E35-R39 VanDerWaalsContact O-CG 3.29Å; E35-R39 WeakPolarHBondContact O-CG 3.24Å; E35-R39 PolarHBondContact O-N 3.12Å; V36-R39 WeakPolarHBondContact O-CB 3.33Å; V36-R39 PolarHBondContact O-N 3.2Å; V36-R39 VanDerWaalsContact O-N 3.14Å; R39-R43 WeakPolarHBondContact O-CA 3.36Å; R39-R43 WeakPolarHBondContact O-CB 3.49Å; R39-R43 PolarHBondContact O-N 3.04Å; R39-L51 HydrophobicContact CG-CB 3.88Å; R39-L51 HydrophobicContact CG-CD1 3.89Å; R39-L51 HydrophobicContact CG-CG 4.36Å; R39-F52 HydrophobicContact CB-CE1 4.02Å; R39-F52 HydrophobicContact CB-CZ 4Å; R39-F52 HydrophobicContact CG-CE1 4.24Å; R39-F52 HydrophobicContact CG-CZ 4.23Å; R39-F52 VanDerWaalsContact O-CZ 3.3Å; R39-F52 WeakPolarHBondContact O-CZ 3.48Å
40E95.9Very high94.2Very high131 Ų13181.3 Ų81.361%0.61240%0.401SS*.Hα-helixtrans-67.7-48.9176.8-70.2176.8166.700111.7V36 L37 T38 Q42V36-E40 WeakPolarHBondContact O-CG 3.46Å; V36-E40 PolarHBondContact O-N 3.42Å; L37-E40 PolarHBondContact O-N 3.43Å; T38-E40 VanDerWaalsContact C-N 3.32Å; T38-E40 PolarHBondContact O-N 3.47Å; E40-Q42 PolarHBondContact O-N 2.85Å
41K94.8Very high94.1Very high162 Ų16278.4 Ų78.470%0.70439%0.385SS*.Hα-helixtrans-69.1-33.7-176.9-71.2179.2-179.9-178.90113.8L37 T38L37-K41 WeakPolarHBondContact O-CB 3.33Å; L37-K41 WeakPolarHBondContact O-CG 3.29Å; L37-K41 PolarHBondContact O-N 2.92Å; T38-K41 PolarHBondContact O-N 2.95Å
42Q94Very high94.1Very high60 Ų6081.4 Ų81.428%0.2839%0.394SS..THydrogen-bonded Turntrans-107.115.6-174.1-56.9-60.9-33.700113.1T38 E40 H44 N45 F48T38-Q42 HydrophobicContact CG2-CG 4.13Å; T38-Q42 VanDerWaalsContact O-CB 3.29Å; T38-Q42 WeakPolarHBondContact O-CB 3.38Å; T38-Q42 PolarHBondContact O-N 3.44Å; E40-Q42 PolarHBondContact O-N 2.85Å; Q42-H44 PolarHBondContact O-N 2.81Å; Q42-H44 VanDerWaalsContact O-N 3.09Å; Q42-N45 HydrophobicContact CB-CB 4.26Å; Q42-N45 PolarHBondContact O-N 2.89Å; Q42-N45 PolarHBondContact OE1-ND2 2.88Å; Q42-F48 HydrophobicContact CB-CB 3.82Å; Q42-F48 HydrophobicContact CB-CD1 4.2Å; Q42-F48 HydrophobicContact CB-CD2 3.61Å; Q42-F48 HydrophobicContact CB-CE2 4.19Å; Q42-F48 HydrophobicContact CB-CG 3.61Å; Q42-F48 HydrophobicContact CG-CD1 4.26Å; Q42-F48 HydrophobicContact CG-CD2 3.73Å; Q42-F48 HydrophobicContact CG-CE1 4.28Å; Q42-F48 HydrophobicContact CG-CE2 3.76Å; Q42-F48 HydrophobicContact CG-CG 3.98Å; Q42-F48 HydrophobicContact CG-CZ 4.04Å
43R92.6Very high93.6Very high170 Ų17081 Ų8164%0.64240%0.402SS*.THydrogen-bonded Turntrans-52.2-35.5-177.5-170.7178.9178.394.71.8114R39 F52R39-R43 WeakPolarHBondContact O-CA 3.36Å; R39-R43 WeakPolarHBondContact O-CB 3.49Å; R39-R43 PolarHBondContact O-N 3.04Å; R43-F52 HydrophobicContact CB-CZ 4.29Å; R43-F52 HydrophobicContact CG-CE1 4.45Å; R43-F52 HydrophobicContact CG-CZ 4.34Å
44H92.5Very high93.2Very high178 Ų17876.7 Ų76.782%0.82439%0.389SS*.THydrogen-bonded Turntrans-98.13-177.6-57.7-67.9000113.6Q42Q42-H44 PolarHBondContact O-N 2.81Å; Q42-H44 VanDerWaalsContact O-N 3.09Å
45N92.6Very high92.7Very high49 Ų4977.9 Ų77.926%0.26240%0.398SS..  trans-95.9114.5-178.5-173.5-12.1000110.4Q42 K47 F48Q42-N45 HydrophobicContact CB-CB 4.26Å; Q42-N45 PolarHBondContact O-N 2.89Å; Q42-N45 PolarHBondContact OE1-ND2 2.88Å; N45-K47 PolarHBondContact O-N 2.89Å; N45-K47 VanDerWaalsContact O-N 3.1Å; N45-K47 WeakPolarHBondContact OD1-CB 3.34Å; N45-K47 PolarHBondContact OD1-N 2.92Å; N45-K47 VanDerWaalsContact OD1-N 3.09Å; N45-F48 HydrophobicContact CB-CD2 4.12Å; N45-F48 PolarHBondContact O-N 3.28Å
46P90.3Very high92.3Very high104 Ų10477.1 Ų77.168%0.67539%0.394SS*.G310 helixtrans-61.8-23-177.825-34.2000113.2F48 S49P46-F48 PolarHBondContact O-N 3.28Å; P46-S49 VanDerWaalsContact O-CB 3.29Å; P46-S49 WeakPolarHBondContact O-CB 3.32Å; P46-S49 PolarHBondContact O-N 3.4Å; P46-S49 VanDerWaalsContact O-N 3.14Å; P46-S49 PolarHBondContact O-OG 3.43Å
47K89.3Confident92Very high97 Ų9774.6 Ų74.642%0.42238%0.38SS..G310 helixtrans-62.4-21.5174.6-62.9-170.8175.8-170.40113.1E15 I19 N45 F50E15-K47 IonicContact OE1-NZ 2.64Å; E15-K47 PolarHBondContact OE1-NZ 2.89Å; E15-K47 IonicContact OE2-NZ 3.85Å; I19-K47 HydrophobicContact CD1-CB 4.27Å; I19-K47 HydrophobicContact CD1-CD 4.12Å; N45-K47 PolarHBondContact O-N 2.89Å; N45-K47 VanDerWaalsContact O-N 3.1Å; N45-K47 WeakPolarHBondContact OD1-CB 3.34Å; N45-K47 PolarHBondContact OD1-N 2.92Å; N45-K47 VanDerWaalsContact OD1-N 3.09Å; K47-F50 WeakPolarHBondContact O-CD1 2.94Å; K47-F50 VanDerWaalsContact O-CE1 3.26Å; K47-F50 WeakPolarHBondContact O-CE1 3.1Å
48F93.9Very high91.8Very high32 Ų3272.5 Ų72.514%0.1437%0.374CS..G310 helixtrans-107.615.7178.9-69.5-92.9000113I19 L23 T38 Q42 N45 P46 F50 L51 F52I19-F48 HydrophobicContact CG2-CE1 3.98Å; I19-F48 HydrophobicContact CG2-CZ 4.02Å; L23-F48 HydrophobicContact CD2-CD1 4.16Å; L23-F48 HydrophobicContact CD2-CE1 4.08Å; T38-F48 HydrophobicContact CG2-CD1 4Å; T38-F48 HydrophobicContact CG2-CE1 3.87Å; Q42-F48 HydrophobicContact CB-CB 3.82Å; Q42-F48 HydrophobicContact CB-CD1 4.2Å; Q42-F48 HydrophobicContact CB-CD2 3.61Å; Q42-F48 HydrophobicContact CB-CE2 4.19Å; Q42-F48 HydrophobicContact CB-CG 3.61Å; Q42-F48 HydrophobicContact CG-CD1 4.26Å; Q42-F48 HydrophobicContact CG-CD2 3.73Å; Q42-F48 HydrophobicContact CG-CE1 4.28Å; Q42-F48 HydrophobicContact CG-CE2 3.76Å; Q42-F48 HydrophobicContact CG-CG 3.98Å; Q42-F48 HydrophobicContact CG-CZ 4.04Å; N45-F48 HydrophobicContact CB-CD2 4.12Å; N45-F48 PolarHBondContact O-N 3.28Å; P46-F48 PolarHBondContact O-N 3.28Å; F48-F50 HydrophobicContact CD1-CE1 4.26Å; F48-F50 HydrophobicContact CD1-CZ 4.1Å; F48-F50 PolarHBondContact O-N 3.19Å; F48-F50 VanDerWaalsContact O-N 3.14Å; F48-L51 HydrophobicContact CB-CD1 4.16Å; F48-L51 HydrophobicContact CD1-CD1 3.81Å; F48-L51 HydrophobicContact CG-CD1 4.45Å; F48-L51 WeakPolarHBondContact O-CB 3.43Å; F48-L51 PolarHBondContact O-N 2.96Å; F48-F52 WeakPolarHBondContact O-CD2 3.26Å
49S91.4Very high91.6Very high58 Ų5872.3 Ų72.341%0.40637%0.37SS..G310 helixtrans-56.5-29.4178.654.30000113.5P46 L51 F52 G54P46-S49 VanDerWaalsContact O-CB 3.29Å; P46-S49 WeakPolarHBondContact O-CB 3.32Å; P46-S49 PolarHBondContact O-N 3.4Å; P46-S49 VanDerWaalsContact O-N 3.14Å; P46-S49 PolarHBondContact O-OG 3.43Å; S49-L51 PolarHBondContact O-N 2.99Å; S49-F52 PolarHBondContact O-N 2.86Å; S49-G54 WeakPolarHBondContact O-CA 3.47Å; S49-G54 PolarHBondContact O-N 3.21Å
50F92Very high91.6Very high3 Ų367.7 Ų67.71%0.01335%0.353CS..G310 helixtrans-59.7-25.4175.567.6-96.3000113.7I19 I20 L23 K47 F48 F52 L55 S57 Y60I19-F50 HydrophobicContact CG2-CE1 4.12Å; I19-F50 HydrophobicContact CG2-CZ 4.29Å; I20-F50 HydrophobicContact CD1-CD1 4.16Å; I20-F50 HydrophobicContact CD1-CE1 4.46Å; I20-F50 HydrophobicContact CD1-CG 4.21Å; I20-F50 HydrophobicContact CG1-CD1 3.86Å; I20-F50 HydrophobicContact CG1-CD2 4.13Å; I20-F50 HydrophobicContact CG1-CE1 3.68Å; I20-F50 HydrophobicContact CG1-CE2 3.96Å; I20-F50 HydrophobicContact CG1-CG 4.1Å; I20-F50 HydrophobicContact CG1-CZ 3.74Å; L23-F50 HydrophobicContact CD2-CE2 3.88Å; L23-F50 HydrophobicContact CD2-CZ 3.75Å; K47-F50 WeakPolarHBondContact O-CD1 2.94Å; K47-F50 VanDerWaalsContact O-CE1 3.26Å; K47-F50 WeakPolarHBondContact O-CE1 3.1Å; F48-F50 HydrophobicContact CD1-CE1 4.26Å; F48-F50 HydrophobicContact CD1-CZ 4.1Å; F48-F50 PolarHBondContact O-N 3.19Å; F48-F50 VanDerWaalsContact O-N 3.14Å; F50-F52 PolarHBondContact O-N 2.89Å; F50-L55 VanDerWaalsContact CB-O 3.25Å; F50-L55 WeakPolarHBondContact CB-O 3.46Å; F50-S57 WeakPolarHBondContact O-CB 3.47Å; F50-S57 PolarHBondContact O-OG 3.39Å; F50-Y60 HydrophobicContact CD2-CD1 4.28Å; F50-Y60 HydrophobicContact CD2-CD2 4.17Å; F50-Y60 AromaticContact CD2-CG 3.78Å; F50-Y60 HydrophobicContact CD2-CG 3.78Å; F50-Y60 HydrophobicContact CE2-CD1 4.39Å; F50-Y60 AromaticContact CE2-CD2 3.66Å; F50-Y60 HydrophobicContact CE2-CD2 3.66Å; F50-Y60 HydrophobicContact CE2-CE2 4.22Å; F50-Y60 AromaticContact CE2-CG 3.76Å; F50-Y60 HydrophobicContact CE2-CG 3.76Å
51L93.6Very high91.5Very high12 Ų1267.2 Ų67.26%0.06335%0.349CS..G310 helixtrans-72.7-14175-66.3177.6000113.5L23 E35 T38 R39 F48 S49 Y60L23-L51 HydrophobicContact CD2-CD1 3.91Å; L23-L51 HydrophobicContact CD2-CD2 3.82Å; L23-L51 HydrophobicContact CD2-CG 4.2Å; E35-L51 HydrophobicContact CG-CD2 4.33Å; T38-L51 HydrophobicContact CG2-CD1 3.89Å; R39-L51 HydrophobicContact CG-CB 3.88Å; R39-L51 HydrophobicContact CG-CD1 3.89Å; R39-L51 HydrophobicContact CG-CG 4.36Å; F48-L51 HydrophobicContact CB-CD1 4.16Å; F48-L51 HydrophobicContact CD1-CD1 3.81Å; F48-L51 HydrophobicContact CG-CD1 4.45Å; F48-L51 WeakPolarHBondContact O-CB 3.43Å; F48-L51 PolarHBondContact O-N 2.96Å; S49-L51 PolarHBondContact O-N 2.99Å; L51-Y60 HydrophobicContact CD2-CD1 4.13Å; L51-Y60 HydrophobicContact CD2-CE1 3.69Å; L51-Y60 HydrophobicContact CD2-CE2 4.26Å
52F93.1Very high91.4Very high81 Ų8166.5 Ų66.536%0.35534%0.342SS..G310 helixtrans-115.121.2-177.1-52.7-81.6000112.3R39 R43 F48 S49 F50R39-F52 HydrophobicContact CB-CE1 4.02Å; R39-F52 HydrophobicContact CB-CZ 4Å; R39-F52 HydrophobicContact CG-CE1 4.24Å; R39-F52 HydrophobicContact CG-CZ 4.23Å; R39-F52 VanDerWaalsContact O-CZ 3.3Å; R39-F52 WeakPolarHBondContact O-CZ 3.48Å; R43-F52 HydrophobicContact CB-CZ 4.29Å; R43-F52 HydrophobicContact CG-CE1 4.45Å; R43-F52 HydrophobicContact CG-CZ 4.34Å; F48-F52 WeakPolarHBondContact O-CD2 3.26Å; S49-F52 PolarHBondContact O-N 2.86Å; F50-F52 PolarHBondContact O-N 2.89Å
53G86.7Confident91.5Very high61 Ų6166.9 Ų66.963%0.62934%0.343SS*.THydrogen-bonded Turntrans86.415.5-17800000114.4
54G86.4Confident91.7Very high26 Ų2659.3 Ų59.327%0.26832%0.315SS..  trans-70.9-174.9172.100000113.8S49 S57S49-G54 WeakPolarHBondContact O-CA 3.47Å; S49-G54 PolarHBondContact O-N 3.21Å; G54-S57 VanDerWaalsContact O-CB 3.31Å; G54-S57 WeakPolarHBondContact O-CB 3.31Å; G54-S57 PolarHBondContact O-N 3.36Å
55L87.2Confident91.8Very high97 Ų9756.7 Ų56.751%0.50830%0.303SS..THydrogen-bonded Turntrans-52.8140.5174.7-170.466.9000110.6F50 S57F50-L55 VanDerWaalsContact CB-O 3.25Å; F50-L55 WeakPolarHBondContact CB-O 3.46Å; L55-S57 VanDerWaalsContact C-N 3.27Å; L55-S57 PolarHBondContact O-N 3.43Å
56H88.7Confident92Very high26 Ų2657.3 Ų57.312%0.1232%0.315CS..THydrogen-bonded Turntrans67.113.7-177.8-45.2-62.4000116.4C9 P11 I20 A58 Y59 Y60C9-H56 PolarHBondContact O-ND1 3.29Å; P11-H56 VanDerWaalsContact CA-CE1 3.47Å; P11-H56 WeakPolarHBondContact CA-CE1 3.24Å; P11-H56 HydrophobicContact CG-CB 4.18Å; I20-H56 HydrophobicContact CD1-CB 3.71Å; H56-A58 VanDerWaalsContact C-N 3.29Å; H56-A58 PolarHBondContact O-N 3.43Å; H56-Y59 PolarHBondContact O-N 3.01Å; H56-Y60 PolarHBondContact O-N 3.09Å
57S90.8Very high92.3Very high21 Ų2153.6 Ų53.615%0.14729%0.293CS..Hα-helixtrans-59.3-39.5173.3-166.60000112.5F50 G54 L55 Y60 K61F50-S57 WeakPolarHBondContact O-CB 3.47Å; F50-S57 PolarHBondContact O-OG 3.39Å; G54-S57 VanDerWaalsContact O-CB 3.31Å; G54-S57 WeakPolarHBondContact O-CB 3.31Å; G54-S57 PolarHBondContact O-N 3.36Å; L55-S57 VanDerWaalsContact C-N 3.27Å; L55-S57 PolarHBondContact O-N 3.43Å; S57-Y60 PolarHBondContact O-N 2.9Å; S57-K61 WeakPolarHBondContact O-CG 3.42Å; S57-K61 PolarHBondContact O-N 3.4Å
58A90.8Very high92.6Very high31 Ų3153.5 Ų53.526%0.25629%0.29SS..Hα-helixtrans-68.3-40.2175.900000112.5D8 H56 Y60 K61 R62D8-A58 WeakPolarHBondContact OD1-CB 3.12Å; H56-A58 VanDerWaalsContact C-N 3.29Å; H56-A58 PolarHBondContact O-N 3.43Å; A58-Y60 PolarHBondContact O-N 2.9Å; A58-K61 PolarHBondContact O-N 2.97Å; A58-R62 WeakPolarHBondContact O-CG 3.46Å; A58-R62 PolarHBondContact O-N 3.29Å
59Y92Very high92.7Very high17 Ų1754.9 Ų54.97%0.06731%0.307CS..Hα-helixtrans-59.9-43.7172.4177.2-101.1000111.8P10 P11 R17 I20 D21 H56 R62 K63P10-Y59 HydrophobicContact CB-CD2 4.18Å; P10-Y59 HydrophobicContact CB-CE2 3.66Å; P11-Y59 HydrophobicContact CG-CD1 4.25Å; P11-Y59 HydrophobicContact CG-CE1 4.35Å; R17-Y59 HydrophobicContact CG-CE1 4.48Å; I20-Y59 HydrophobicContact CB-CD1 4.34Å; I20-Y59 HydrophobicContact CB-CE1 4.18Å; I20-Y59 HydrophobicContact CD1-CD1 3.96Å; I20-Y59 HydrophobicContact CD1-CE1 4.43Å; I20-Y59 HydrophobicContact CG2-CD1 3.63Å; I20-Y59 HydrophobicContact CG2-CE1 3.66Å; D21-Y59 PolarHBondContact OD1-OH 3.45Å; H56-Y59 PolarHBondContact O-N 3.01Å; Y59-R62 PolarHBondContact O-N 2.86Å; Y59-K63 HydrophobicContact CD1-CG 4.41Å; Y59-K63 HydrophobicContact CE1-CG 3.96Å; Y59-K63 HydrophobicContact CE2-CG 4.17Å; Y59-K63 WeakPolarHBondContact O-CB 3.34Å; Y59-K63 WeakPolarHBondContact O-CG 3.31Å; Y59-K63 PolarHBondContact O-N 3.3Å; Y59-K63 WeakPolarHBondContact OH-CE 3.47Å
60Y95Very high92.8Very high5 Ų554 Ų542%0.0231%0.307CS..Hα-helixtrans-58.2-48.2173.4167.6-107000112.1I20 L23 A24 E35 F50 L51 H56 S57 A58 R62 K63 L64I20-Y60 HydrophobicContact CG2-CD2 4.11Å; L23-Y60 HydrophobicContact CB-CE2 4.48Å; L23-Y60 HydrophobicContact CD2-CE2 4.05Å; L23-Y60 HydrophobicContact CG-CE2 4.07Å; A24-Y60 HydrophobicContact CB-CD2 4.37Å; A24-Y60 HydrophobicContact CB-CE2 4.29Å; E35-Y60 VanDerWaalsContact CD-OH 3.24Å; E35-Y60 WeakPolarHBondContact CG-OH 3.35Å; E35-Y60 PolarHBondContact OE2-OH 3.49Å; F50-Y60 HydrophobicContact CD2-CD1 4.28Å; F50-Y60 HydrophobicContact CD2-CD2 4.17Å; F50-Y60 AromaticContact CD2-CG 3.78Å; F50-Y60 HydrophobicContact CD2-CG 3.78Å; F50-Y60 HydrophobicContact CE2-CD1 4.39Å; F50-Y60 AromaticContact CE2-CD2 3.66Å; F50-Y60 HydrophobicContact CE2-CD2 3.66Å; F50-Y60 HydrophobicContact CE2-CE2 4.22Å; F50-Y60 AromaticContact CE2-CG 3.76Å; F50-Y60 HydrophobicContact CE2-CG 3.76Å; L51-Y60 HydrophobicContact CD2-CD1 4.13Å; L51-Y60 HydrophobicContact CD2-CE1 3.69Å; L51-Y60 HydrophobicContact CD2-CE2 4.26Å; H56-Y60 PolarHBondContact O-N 3.09Å; S57-Y60 PolarHBondContact O-N 2.9Å; A58-Y60 PolarHBondContact O-N 2.9Å; Y60-R62 PolarHBondContact O-N 2.91Å; Y60-K63 PolarHBondContact O-N 2.76Å; Y60-L64 HydrophobicContact CE1-CD2 4.3Å; Y60-L64 WeakPolarHBondContact O-CB 3.49Å; Y60-L64 PolarHBondContact O-N 3.36Å
61K94Very high92.9Very high122 Ų12256.7 Ų56.753%0.5332%0.321SS..Hα-helixtrans-58.3-47.1178.3-71.1175.8-176.4179.80112S57 A58 K63 L64 E65S57-K61 WeakPolarHBondContact O-CG 3.42Å; S57-K61 PolarHBondContact O-N 3.4Å; A58-K61 PolarHBondContact O-N 2.97Å; K61-K63 VanDerWaalsContact C-N 3.32Å; K61-K63 PolarHBondContact O-N 3.42Å; K61-L64 WeakPolarHBondContact O-CB 3.47Å; K61-L64 PolarHBondContact O-N 3.26Å; K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.91Å
62R93.4Very high93Very high146 Ų14660 Ų6055%0.55134%0.342SS*.Hα-helixtrans-60.7-40.6176.8-70.9176.765.8-176.11.8112.2A58 Y59 Y60 A66A58-R62 WeakPolarHBondContact O-CG 3.46Å; A58-R62 PolarHBondContact O-N 3.29Å; Y59-R62 PolarHBondContact O-N 2.86Å; Y60-R62 PolarHBondContact O-N 2.91Å; R62-A66 VanDerWaalsContact O-CB 3.3Å; R62-A66 WeakPolarHBondContact O-CB 3.26Å; R62-A66 PolarHBondContact O-N 3.32Å
63K95.2Very high93.1Very high68 Ų6861.6 Ų61.630%0.29635%0.353SS..Hα-helixtrans-66.5-40.6176.1-78.3-66.3-169.41620112.5D21 A24 Y59 Y60 K61 A66 A67D21-K63 WeakPolarHBondContact OD1-CE 3.28Å; D21-K63 IonicContact OD1-NZ 3.71Å; D21-K63 IonicContact OD2-NZ 3.89Å; A24-K63 HydrophobicContact CB-CB 3.73Å; Y59-K63 HydrophobicContact CD1-CG 4.41Å; Y59-K63 HydrophobicContact CE1-CG 3.96Å; Y59-K63 HydrophobicContact CE2-CG 4.17Å; Y59-K63 WeakPolarHBondContact O-CB 3.34Å; Y59-K63 WeakPolarHBondContact O-CG 3.31Å; Y59-K63 PolarHBondContact O-N 3.3Å; Y59-K63 WeakPolarHBondContact OH-CE 3.47Å; Y60-K63 PolarHBondContact O-N 2.76Å; K61-K63 VanDerWaalsContact C-N 3.32Å; K61-K63 PolarHBondContact O-N 3.42Å; K63-A66 PolarHBondContact O-N 3.01Å; K63-A67 VanDerWaalsContact O-CB 3.29Å; K63-A67 WeakPolarHBondContact O-CB 3.35Å; K63-A67 PolarHBondContact O-N 2.98Å
64L96.5Very high93.6Very high11 Ų1167.2 Ų67.26%0.05836%0.357CS..Hα-helixtrans-63.8-44.8176.3179.360.3000111.4A24 V27 A28 Y60 K61 A67 R68A24-L64 HydrophobicContact CB-CB 4.36Å; A24-L64 WeakPolarHBondContact O-CD1 2.96Å; V27-L64 HydrophobicContact CB-CD1 3.86Å; V27-L64 HydrophobicContact CG1-CD1 3.69Å; V27-L64 HydrophobicContact CG1-CD2 4.31Å; A28-L64 HydrophobicContact CB-CD1 4.17Å; Y60-L64 HydrophobicContact CE1-CD2 4.3Å; Y60-L64 WeakPolarHBondContact O-CB 3.49Å; Y60-L64 PolarHBondContact O-N 3.36Å; K61-L64 WeakPolarHBondContact O-CB 3.47Å; K61-L64 PolarHBondContact O-N 3.26Å; L64-A67 PolarHBondContact O-N 3.26Å; L64-R68 HydrophobicContact CD1-CG 4.49Å; L64-R68 WeakPolarHBondContact O-CB 3.31Å; L64-R68 WeakPolarHBondContact O-CG 3.46Å; L64-R68 PolarHBondContact O-N 2.98Å
65E95.8Very high94.1Very high124 Ų12471.3 Ų71.358%0.57937%0.372SS*.Hα-helixtrans-61.3-47.9175.1-73.4169-176.800111.8K61 A67 R68 A69K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.91Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.27Å; E65-R68 PolarHBondContact O-N 3.05Å; E65-A69 WeakPolarHBondContact O-CB 3.41Å; E65-A69 PolarHBondContact O-N 3.27Å
66A95.7Very high94.6Very high61 Ų6171.2 Ų71.250%0.50437%0.372SS..Hα-helixtrans-60.9-42.4177.500000112.1R62 K63 A69 G70R62-A66 VanDerWaalsContact O-CB 3.3Å; R62-A66 WeakPolarHBondContact O-CB 3.26Å; R62-A66 PolarHBondContact O-N 3.32Å; K63-A66 PolarHBondContact O-N 3.01Å; A66-A69 PolarHBondContact O-N 3.18Å; A66-G70 PolarHBondContact O-N 3.4Å
67A96Very high95Very high27 Ų2773.2 Ų73.222%0.22339%0.385CS..Hα-helixtrans-64.1-43.9177.400000111.7A28 K63 L64 E65 G70 I71A28-A67 HydrophobicContact CB-CB 3.51Å; K63-A67 VanDerWaalsContact O-CB 3.29Å; K63-A67 WeakPolarHBondContact O-CB 3.35Å; K63-A67 PolarHBondContact O-N 2.98Å; L64-A67 PolarHBondContact O-N 3.26Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.27Å; A67-G70 PolarHBondContact O-N 2.93Å; A67-I71 WeakPolarHBondContact O-CG1 3.38Å; A67-I71 PolarHBondContact O-N 3.25Å; A67-I71 VanDerWaalsContact O-N 3.1Å
68R95.8Very high95.3Very high95 Ų9574 Ų7436%0.35840%0.396SS..Hα-helixtrans-62.7-45.3175.3-74.2174.6174.4164.91.4111.9A28 L64 E65 G70 I71 V72A28-R68 HydrophobicContact CB-CG 3.8Å; L64-R68 HydrophobicContact CD1-CG 4.49Å; L64-R68 WeakPolarHBondContact O-CB 3.31Å; L64-R68 WeakPolarHBondContact O-CG 3.46Å; L64-R68 PolarHBondContact O-N 2.98Å; E65-R68 PolarHBondContact O-N 3.05Å; R68-G70 VanDerWaalsContact C-N 3.32Å; R68-G70 PolarHBondContact O-N 3.48Å; R68-I71 PolarHBondContact O-N 3.39Å; R68-V72 WeakPolarHBondContact O-CG2 2.93Å; R68-V72 PolarHBondContact O-N 3.46Å
69A95.8Very high95.6Very high61 Ų6178.7 Ų78.750%0.50441%0.411SS..Hα-helixtrans-61.6-40.3176.900000111.8E65 A66 I71 V72 L73E65-A69 WeakPolarHBondContact O-CB 3.41Å; E65-A69 PolarHBondContact O-N 3.27Å; A66-A69 PolarHBondContact O-N 3.18Å; A69-I71 PolarHBondContact O-N 2.07Å; A69-V72 PolarHBondContact O-N 3.01Å; A69-L73 WeakPolarHBondContact O-CB 3.23Å; A69-L73 PolarHBondContact O-N 3.31Å
70G94.9Very high95.9Very high39 Ų3983.1 Ų83.140%0.40244%0.435SS..Hα-helixtrans-60.3-42.7175.100000112.9A66 A67 R68 L73 Y74A66-G70 PolarHBondContact O-N 3.4Å; A67-G70 PolarHBondContact O-N 2.93Å; R68-G70 VanDerWaalsContact C-N 3.32Å; R68-G70 PolarHBondContact O-N 3.48Å; G70-L73 PolarHBondContact O-N 3.09Å; G70-Y74 WeakPolarHBondContact O-CB 3.33Å; G70-Y74 PolarHBondContact O-N 2.78Å
71I93.9Very high95.9Very high60 Ų6088.4 Ų88.431%0.30846%0.461SS..Hα-helixtrans-62.2-47.6175.2-66.8165.7000110.6A28 R29 A67 R68 A69 L73 Y74 L75A28-I71 HydrophobicContact CB-CD1 3.85Å; A28-I71 WeakPolarHBondContact O-CD1 3.23Å; R29-I71 HydrophobicContact CG-CD1 3.8Å; A67-I71 WeakPolarHBondContact O-CG1 3.38Å; A67-I71 PolarHBondContact O-N 3.25Å; A67-I71 VanDerWaalsContact O-N 3.1Å; R68-I71 PolarHBondContact O-N 3.39Å; A69-I71 PolarHBondContact O-N 2.07Å; I71-L73 PolarHBondContact O-N 3.1Å; I71-Y74 PolarHBondContact O-N 2.64Å; I71-L75 HydrophobicContact CG2-CD1 4.12Å; I71-L75 HydrophobicContact CG2-CG 4.48Å; I71-L75 WeakPolarHBondContact O-CG 3.35Å; I71-L75 PolarHBondContact O-N 2.77Å
72V94.2Very high96Very high82 Ų8288.6 Ų88.650%0.49746%0.462SS..Hα-helixtrans-61.1-45.8178.6173.30000111.1R68 A69 Y74 L75 L76R68-V72 WeakPolarHBondContact O-CG2 2.93Å; R68-V72 PolarHBondContact O-N 3.46Å; A69-V72 PolarHBondContact O-N 3.01Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.63Å; V72-L75 PolarHBondContact O-N 2.7Å; V72-L76 HydrophobicContact CG1-CD1 3.92Å; V72-L76 HydrophobicContact CG1-CG 4.23Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 VanDerWaalsContact O-CG 3.31Å; V72-L76 WeakPolarHBondContact O-CG 3.49Å; V72-L76 PolarHBondContact O-N 3.01Å
73L96.9Very high96.1Very high113 Ų11385 Ų8559%0.59246%0.456SS*.Hα-helixtrans-58.9-44.6177.2-179.263.5000111.2A69 G70 I71 L75 L76 V77A69-L73 WeakPolarHBondContact O-CB 3.23Å; A69-L73 PolarHBondContact O-N 3.31Å; G70-L73 PolarHBondContact O-N 3.09Å; I71-L73 PolarHBondContact O-N 3.1Å; L73-L75 PolarHBondContact O-N 3.46Å; L73-L76 PolarHBondContact O-N 3.1Å; L73-V77 HydrophobicContact CD1-CG2 4.25Å; L73-V77 HydrophobicContact CG-CG2 4.47Å; L73-V77 WeakPolarHBondContact O-CB 3.26Å; L73-V77 VanDerWaalsContact O-CG2 3.26Å; L73-V77 WeakPolarHBondContact O-CG2 3.47Å; L73-V77 PolarHBondContact O-N 3.44Å
74Y95.7Very high96.1Very high180 Ų18087.9 Ų87.971%0.70647%0.466SS*.Hα-helixtrans-61.4-44177.2-178.4-96.5000112.2G70 I71 V72 V77 G78G70-Y74 WeakPolarHBondContact O-CB 3.33Å; G70-Y74 PolarHBondContact O-N 2.78Å; I71-Y74 PolarHBondContact O-N 2.64Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.63Å; Y74-V77 PolarHBondContact O-N 2.84Å; Y74-G78 PolarHBondContact O-N 3.14Å
75L96.7Very high95.8Very high111 Ų11191 Ų9158%0.58149%0.489SS*.Hα-helixtrans-65-41.5177-67.8176.5000112.1I71 V72 L73 G78 F79I71-L75 HydrophobicContact CG2-CD1 4.12Å; I71-L75 HydrophobicContact CG2-CG 4.48Å; I71-L75 WeakPolarHBondContact O-CG 3.35Å; I71-L75 PolarHBondContact O-N 2.77Å; V72-L75 PolarHBondContact O-N 2.7Å; L73-L75 PolarHBondContact O-N 3.46Å; L75-G78 PolarHBondContact O-N 3.45Å; L75-F79 WeakPolarHBondContact O-CB 3.34Å; L75-F79 PolarHBondContact O-N 3.34Å
76L98Very high95.5Very high96 Ų9687.8 Ų87.850%0.50348%0.476SS..Hα-helixtrans-65.5-44177.1-70.9178.4000111.8V72 L73 G78 F79 I80V72-L76 HydrophobicContact CG1-CD1 3.92Å; V72-L76 HydrophobicContact CG1-CG 4.23Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 VanDerWaalsContact O-CG 3.31Å; V72-L76 WeakPolarHBondContact O-CG 3.49Å; V72-L76 PolarHBondContact O-N 3.01Å; L73-L76 PolarHBondContact O-N 3.1Å; L76-G78 VanDerWaalsContact C-N 3.35Å; L76-F79 PolarHBondContact O-N 3.49Å; L76-I80 WeakPolarHBondContact O-CB 3.39Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.34Å
77V98Very high95.3Very high67 Ų6791.9 Ų91.941%0.40648%0.479SS..Hα-helixtrans-60.7-46.9174170.30000110.1L73 Y74 F79 I80 M81L73-V77 HydrophobicContact CD1-CG2 4.25Å; L73-V77 HydrophobicContact CG-CG2 4.47Å; L73-V77 WeakPolarHBondContact O-CB 3.26Å; L73-V77 VanDerWaalsContact O-CG2 3.26Å; L73-V77 WeakPolarHBondContact O-CG2 3.47Å; L73-V77 PolarHBondContact O-N 3.44Å; Y74-V77 PolarHBondContact O-N 2.84Å; V77-F79 VanDerWaalsContact C-N 3.32Å; V77-F79 PolarHBondContact O-N 2.93Å; V77-I80 PolarHBondContact O-N 3.19Å; V77-M81 HydrophobicContact CG1-CG 4.29Å; V77-M81 WeakPolarHBondContact O-CB 3.29Å; V77-M81 VanDerWaalsContact O-CG 3.24Å; V77-M81 WeakPolarHBondContact O-CG 3.48Å; V77-M81 PolarHBondContact O-N 2.98Å
78G96.8Very high94.5Very high37 Ų3796.2 Ų96.238%0.38149%0.491SS..Hα-helixtrans-58.6-42.2176.300000112.6Y74 L75 L76 M81 F82Y74-G78 PolarHBondContact O-N 3.14Å; L75-G78 PolarHBondContact O-N 3.45Å; L76-G78 VanDerWaalsContact C-N 3.35Å; G78-M81 PolarHBondContact O-N 3.19Å; G78-F82 VanDerWaalsContact O-CB 3.29Å; G78-F82 WeakPolarHBondContact O-CB 3.4Å; G78-F82 PolarHBondContact O-N 3.2Å
79F97.3Very high93.5Very high131 Ų131101 Ų10158%0.57551%0.509SS*.Hα-helixtrans-66.7-44.3177.3-177.3-105.6000112.4L75 L76 V77 F82 V83L75-F79 WeakPolarHBondContact O-CB 3.34Å; L75-F79 PolarHBondContact O-N 3.34Å; L76-F79 PolarHBondContact O-N 3.49Å; V77-F79 VanDerWaalsContact C-N 3.32Å; V77-F79 PolarHBondContact O-N 2.93Å; F79-F82 WeakPolarHBondContact O-CB 3.46Å; F79-F82 PolarHBondContact O-N 2.88Å; F79-V83 HydrophobicContact CD1-CG2 4.27Å; F79-V83 HydrophobicContact CE1-CG2 3.86Å; F79-V83 HydrophobicContact CE2-CG2 4.12Å; F79-V83 HydrophobicContact CZ-CG2 3.77Å; F79-V83 WeakPolarHBondContact O-CG2 3.25Å; F79-V83 PolarHBondContact O-N 3.09Å
80I97.1Very high92.1Very high109 Ų109106.3 Ų106.356%0.55952%0.521SS*.Hα-helixtrans-61.7-46176.1-69.3165.4000110.3L76 V77 F82 V83 Y84L76-I80 WeakPolarHBondContact O-CB 3.39Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.34Å; V77-I80 PolarHBondContact O-N 3.19Å; I80-F82 VanDerWaalsContact C-N 3.3Å; I80-F82 PolarHBondContact O-N 2.82Å; I80-V83 PolarHBondContact O-N 3.37Å; I80-Y84 VanDerWaalsContact O-CB 3.27Å; I80-Y84 WeakPolarHBondContact O-CB 3.31Å; I80-Y84 PolarHBondContact O-N 3.1Å
81M96.3Very high90.6Very high117 Ų117110.7 Ų110.758%0.57653%0.531SS*.Hα-helixtrans-63-37.1177.1-69.6-60.9-171.100112.1V77 G78 S85V77-M81 HydrophobicContact CG1-CG 4.29Å; V77-M81 WeakPolarHBondContact O-CB 3.29Å; V77-M81 VanDerWaalsContact O-CG 3.24Å; V77-M81 WeakPolarHBondContact O-CG 3.48Å; V77-M81 PolarHBondContact O-N 2.98Å; G78-M81 PolarHBondContact O-N 3.19Å; M81-S85 VanDerWaalsContact O-CB 3.31Å; M81-S85 WeakPolarHBondContact O-CB 3.36Å; M81-S85 PolarHBondContact O-N 2.92Å; M81-S85 PolarHBondContact O-OG 2.87Å
82F95.1Very high88.8Confident126 Ų126121 Ų12155%0.55357%0.568SS**Hα-helixtrans-65.1-49.8174.3175.1-95.6000111.6G78 F79 I80 Y84 S85 N86G78-F82 VanDerWaalsContact O-CB 3.29Å; G78-F82 WeakPolarHBondContact O-CB 3.4Å; G78-F82 PolarHBondContact O-N 3.2Å; F79-F82 WeakPolarHBondContact O-CB 3.46Å; F79-F82 PolarHBondContact O-N 2.88Å; I80-F82 VanDerWaalsContact C-N 3.3Å; I80-F82 PolarHBondContact O-N 2.82Å; F82-Y84 VanDerWaalsContact C-N 3.33Å; F82-Y84 PolarHBondContact O-N 3.27Å; F82-S85 PolarHBondContact O-N 3.48Å; F82-N86 WeakPolarHBondContact CD2-ND2 3.29Å; F82-N86 WeakPolarHBondContact CE2-ND2 3.29Å; F82-N86 WeakPolarHBondContact CZ-ND2 3.4Å; F82-N86 PolarHBondContact O-N 3.41Å; F82-N86 PolarHBondContact O-ND2 3.2Å
83V96Very high88.5Confident70 Ų70123 Ų12342%0.42457%0.571SS.*Hα-helixtrans-59.8-46177.8168.90000110.5F79 I80 N86 Y87F79-V83 HydrophobicContact CD1-CG2 4.27Å; F79-V83 HydrophobicContact CE1-CG2 3.86Å; F79-V83 HydrophobicContact CE2-CG2 4.12Å; F79-V83 HydrophobicContact CZ-CG2 3.77Å; F79-V83 WeakPolarHBondContact O-CG2 3.25Å; F79-V83 PolarHBondContact O-N 3.09Å; I80-V83 PolarHBondContact O-N 3.37Å; V83-N86 PolarHBondContact O-N 2.86Å; V83-Y87 VanDerWaalsContact O-CB 3.28Å; V83-Y87 WeakPolarHBondContact O-CB 3.3Å; V83-Y87 PolarHBondContact O-N 2.98Å
84Y94.6Very high88.1Confident129 Ų129123.5 Ų123.551%0.50657%0.57SS.*Hα-helixtrans-56.7-54.3175.8-172.9-86.4000110.3I80 F82 N86 Y87 Y88I80-Y84 VanDerWaalsContact O-CB 3.27Å; I80-Y84 WeakPolarHBondContact O-CB 3.31Å; I80-Y84 PolarHBondContact O-N 3.1Å; F82-Y84 VanDerWaalsContact C-N 3.33Å; F82-Y84 PolarHBondContact O-N 3.27Å; Y84-N86 VanDerWaalsContact C-N 3.25Å; Y84-N86 PolarHBondContact O-N 3.14Å; Y84-Y87 PolarHBondContact O-N 3.01Å; Y84-Y87 VanDerWaalsContact O-N 3.13Å; Y84-Y88 AromaticContact CD1-CD2 3.73Å; Y84-Y88 HydrophobicContact CD1-CD2 3.73Å; Y84-Y88 HydrophobicContact CD1-CE2 4.06Å; Y84-Y88 AromaticContact CD2-CD2 3.82Å; Y84-Y88 HydrophobicContact CD2-CD2 3.82Å; Y84-Y88 AromaticContact CD2-CE2 3.33Å; Y84-Y88 HydrophobicContact CD2-CE2 3.33Å; Y84-Y88 AromaticContact CE1-CD2 3.57Å; Y84-Y88 HydrophobicContact CE1-CD2 3.57Å; Y84-Y88 AromaticContact CE1-CE2 3.75Å; Y84-Y88 HydrophobicContact CE1-CE2 3.75Å; Y84-Y88 HydrophobicContact CE1-CG 4.21Å; Y84-Y88 AromaticContact CE2-CD2 3.69Å; Y84-Y88 HydrophobicContact CE2-CD2 3.69Å; Y84-Y88 AromaticContact CE2-CE2 2.97Å; Y84-Y88 HydrophobicContact CE2-CE2 2.97Å; Y84-Y88 AromaticContact CE2-CZ 3.52Å; Y84-Y88 AromaticContact CG-CD2 3.83Å; Y84-Y88 HydrophobicContact CG-CD2 3.83Å; Y84-Y88 AromaticContact CG-CE2 3.86Å; Y84-Y88 HydrophobicContact CG-CE2 3.86Å; Y84-Y88 AromaticContact CZ-CD2 3.53Å; Y84-Y88 AromaticContact CZ-CE2 3.18Å; Y84-Y88 AromaticContact CZ-CZ 3.56Å; Y84-Y88 VanDerWaalsContact O-CD2 3.26Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.21Å; Y84-Y88 PolarHBondContact O-N 3.09Å
85S91.2Very high87.6Confident77 Ų77120.4 Ų120.454%0.53856%0.563SS.*Hα-helixtrans-58.7-35.6-179-57.90000113.2M81 F82 R89M81-S85 VanDerWaalsContact O-CB 3.31Å; M81-S85 WeakPolarHBondContact O-CB 3.36Å; M81-S85 PolarHBondContact O-N 2.92Å; M81-S85 PolarHBondContact O-OG 2.87Å; F82-S85 PolarHBondContact O-N 3.48Å; S85-R89 WeakPolarHBondContact O-CB 3.48Å; S85-R89 PolarHBondContact O-N 3.21Å
86N90.1Very high87.1Confident55 Ų55120.9 Ų120.929%0.29456%0.562SS.*Hα-helixtrans-77.8-37.5177.2-76.5-85.4000112.6F82 V83 Y84 R89 F90F82-N86 WeakPolarHBondContact CD2-ND2 3.29Å; F82-N86 WeakPolarHBondContact CE2-ND2 3.29Å; F82-N86 WeakPolarHBondContact CZ-ND2 3.4Å; F82-N86 PolarHBondContact O-N 3.41Å; F82-N86 PolarHBondContact O-ND2 3.2Å; V83-N86 PolarHBondContact O-N 2.86Å; Y84-N86 VanDerWaalsContact C-N 3.25Å; Y84-N86 PolarHBondContact O-N 3.14Å; N86-R89 WeakPolarHBondContact O-CB 3.43Å; N86-R89 PolarHBondContact O-N 3.01Å; N86-F90 WeakPolarHBondContact O-CD2 3.44Å
87Y90.1Very high86.4Confident148 Ų148122.5 Ų122.558%0.5857%0.566SS**Hα-helixtrans-62.9-49.3177.2-177.1-101.5000111.2V83 Y84 R89 F90V83-Y87 VanDerWaalsContact O-CB 3.28Å; V83-Y87 WeakPolarHBondContact O-CB 3.3Å; V83-Y87 PolarHBondContact O-N 2.98Å; Y84-Y87 PolarHBondContact O-N 3.01Å; Y84-Y87 VanDerWaalsContact O-N 3.13Å; Y87-R89 PolarHBondContact O-N 2.96Å; Y87-F90 PolarHBondContact O-N 3.14Å
88Y80Confident85.7Confident117 Ų117126.2 Ų126.246%0.45958%0.576SS.*THydrogen-bonded Turntrans-72.2-10178.8-74.3-90.1000113.9Y84 F90Y84-Y88 AromaticContact CD1-CD2 3.73Å; Y84-Y88 HydrophobicContact CD1-CD2 3.73Å; Y84-Y88 HydrophobicContact CD1-CE2 4.06Å; Y84-Y88 AromaticContact CD2-CD2 3.82Å; Y84-Y88 HydrophobicContact CD2-CD2 3.82Å; Y84-Y88 AromaticContact CD2-CE2 3.33Å; Y84-Y88 HydrophobicContact CD2-CE2 3.33Å; Y84-Y88 AromaticContact CE1-CD2 3.57Å; Y84-Y88 HydrophobicContact CE1-CD2 3.57Å; Y84-Y88 AromaticContact CE1-CE2 3.75Å; Y84-Y88 HydrophobicContact CE1-CE2 3.75Å; Y84-Y88 HydrophobicContact CE1-CG 4.21Å; Y84-Y88 AromaticContact CE2-CD2 3.69Å; Y84-Y88 HydrophobicContact CE2-CD2 3.69Å; Y84-Y88 AromaticContact CE2-CE2 2.97Å; Y84-Y88 HydrophobicContact CE2-CE2 2.97Å; Y84-Y88 AromaticContact CE2-CZ 3.52Å; Y84-Y88 AromaticContact CG-CD2 3.83Å; Y84-Y88 HydrophobicContact CG-CD2 3.83Å; Y84-Y88 AromaticContact CG-CE2 3.86Å; Y84-Y88 HydrophobicContact CG-CE2 3.86Å; Y84-Y88 AromaticContact CZ-CD2 3.53Å; Y84-Y88 AromaticContact CZ-CE2 3.18Å; Y84-Y88 AromaticContact CZ-CZ 3.56Å; Y84-Y88 VanDerWaalsContact O-CD2 3.26Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.21Å; Y84-Y88 PolarHBondContact O-N 3.09Å; Y88-F90 VanDerWaalsContact C-N 3.32Å
89R73.8Confident84.9Confident197 Ų197132.6 Ų132.674%0.74359%0.59SS**THydrogen-bonded Turntrans-75.5-20.4173.1-167.5176-173.3-168.52.2112.8S85 N86 Y87S85-R89 WeakPolarHBondContact O-CB 3.48Å; S85-R89 PolarHBondContact O-N 3.21Å; N86-R89 WeakPolarHBondContact O-CB 3.43Å; N86-R89 PolarHBondContact O-N 3.01Å; Y87-R89 PolarHBondContact O-N 2.96Å
90F67Low83.9Confident172 Ų172132.7 Ų132.775%0.75459%0.591SS**SBendtrans-94.6-2-179.1-70.5-74.2000114.2N86 Y87 Y88N86-F90 WeakPolarHBondContact O-CD2 3.44Å; Y87-F90 PolarHBondContact O-N 3.14Å; Y88-F90 VanDerWaalsContact C-N 3.32Å
91E64.4Low82.8Confident131 Ų131134.7 Ų134.761%0.61259%0.594SS**  trans-89.37.7-177.9-147.777.9-152.300113.9
92Y55Low81.6Confident277 Ų277136.3 Ų136.3100%1.08660%0.596SS**  trans-135.70177.5-69.2-81000111.7

Retrieved 92 of 92 residues in 158 ms (Link to these results)

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