A0A077ZGM2_TRITR Loading...

Synaptic glycoprotein SC2

AlphaFold DB , UniProt , Accession A0A077ZGM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 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
1M83.6Confident93.7Very high124 Ų12448.3 Ų48.361%0.61124%0.237SC*.  0145.70-61.3-56.2-99.200108.5D20 G72M1-D20 VanDerWaalsContact CE-C 3.43Å; M1-D20 HydrophobicContact CE-CB 3.59Å; M1-D20 WeakPolarHBondContact CE-O 3.41Å; M1-G72 PolarHBondContact O-N 2.87Å
2L87.6Confident93.8Very high9 Ų952.2 Ų52.25%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-121.9147.3-174.9-64.2160.2000109.4D20 V21 L63 V69 N70L2-D20 PolarHBondContact O-N 3.36Å; L2-V21 WeakPolarHBondContact CB-O 3.39Å; L2-V21 PolarHBondContact N-O 2.74Å; L2-V21 PolarHBondContact O-N 3.22Å; L2-L63 HydrophobicContact CD1-CD2 3.69Å; L2-L63 HydrophobicContact CD1-CG 4.39Å; L2-V69 HydrophobicContact CD1-CG1 3.37Å; L2-V69 HydrophobicContact CD2-CG1 3.62Å; L2-V69 HydrophobicContact CG-CG1 4.14Å; L2-N70 WeakPolarHBondContact CD2-O 3.41Å
3Q91.3Very high94Very high44 Ų4459.5 Ų59.521%0.20629%0.288CS..EExtended strand (participates in β ladder)trans-97.4122.2166.2-176.9177.144.600107.9T17 E19 R74 L75Q3-T17 HydrophobicContact CG-CG2 3.54Å; Q3-E19 WeakPolarHBondContact CG-OE2 3.21Å; Q3-E19 PolarHBondContact NE2-OE1 3.12Å; Q3-E19 PolarHBondContact NE2-OE2 3.02Å; Q3-R74 HydrophobicContact CB-CG 4.44Å; Q3-R74 WeakPolarHBondContact O-CA 3.47Å; Q3-L75 PolarHBondContact O-N 2.99Å
4V93.9Very high94.3Very high0 Ų061.2 Ų61.20%030%0.299CS..EExtended strand (participates in β ladder)trans-112.3113.1-179-174.90000110I6 L18 V21 L63 L75 L77V4-I6 HydrophobicContact CG1-CD1 3.78Å; V4-L18 HydrophobicContact CB-CB 4.27Å; V4-L18 PolarHBondContact N-O 3.12Å; V4-L18 PolarHBondContact O-N 3.29Å; V4-V21 HydrophobicContact CB-CG2 4.3Å; V4-V21 HydrophobicContact CG2-CB 3.89Å; V4-V21 HydrophobicContact CG2-CG1 4.09Å; V4-V21 HydrophobicContact CG2-CG2 3.82Å; V4-L63 HydrophobicContact CG2-CD2 3.98Å; V4-L75 CarbonylContact C-O 3.48Å; V4-L75 WeakPolarHBondContact CA-O 3.48Å; V4-L75 HydrophobicContact CG2-CB 4.35Å; V4-L75 HydrophobicContact CG2-CD2 4.4Å; V4-L77 HydrophobicContact CG1-CD1 3.78Å; V4-L77 HydrophobicContact CG1-CG 4.06Å
5E95.1Very high94.4Very high20 Ų2061.7 Ų61.79%0.09330%0.303CS..EExtended strand (participates in β ladder)trans-91.9126.2175.8-66.5179.9167.100110.3Y7 L14 T17 L75 Q76 L77E5-Y7 HydrophobicContact CB-CD2 4.17Å; E5-Y7 HydrophobicContact CB-CE2 3.46Å; E5-Y7 VanDerWaalsContact CB-CE2 3.46Å; E5-Y7 HydrophobicContact CG-CE2 4.42Å; E5-Y7 VanDerWaalsContact OE2-CE2 3.31Å; E5-Y7 WeakPolarHBondContact OE2-CE2 3.45Å; E5-Y7 PolarHBondContact OE2-OH 3.26Å; E5-L14 HydrophobicContact CB-CD1 3.81Å; E5-L14 HydrophobicContact CG-CD1 4.25Å; E5-T17 HydrophobicContact CG-CG2 4.22Å; E5-L75 PolarHBondContact N-O 3.25Å; E5-Q76 PolarHBondContact OE2-NE2 3.34Å; E5-L77 PolarHBondContact O-N 2.98Å
6I96.9Very high94.6Very high0 Ų059 Ų590%029%0.291CS..EExtended strand (participates in β ladder)trans-105.9113.3-179.8-53.3-61.1000109.2V4 L15 T16 L18 V34 L48 L77 L79V4-I6 HydrophobicContact CG1-CD1 3.78Å; I6-L15 HydrophobicContact CG2-CD1 4.48Å; I6-L15 WeakPolarHBondContact O-CA 3.35Å; I6-L15 WeakPolarHBondContact O-CB 3.38Å; I6-L15 PolarHBondContact O-N 3.15Å; I6-T16 HydrophobicContact CB-CG2 3.9Å; I6-T16 HydrophobicContact CG1-CG2 3.99Å; I6-T16 PolarHBondContact N-O 3.46Å; I6-T16 PolarHBondContact O-N 3.18Å; I6-L18 HydrophobicContact CG1-CD1 4.36Å; I6-L18 HydrophobicContact CG1-CG 4.44Å; I6-V34 HydrophobicContact CD1-CG2 4.12Å; I6-V34 HydrophobicContact CG1-CG2 3.72Å; I6-V34 HydrophobicContact CG2-CG2 4.45Å; I6-L48 HydrophobicContact CD1-CD2 4.36Å; I6-L77 WeakPolarHBondContact CA-O 3.41Å; I6-L77 HydrophobicContact CD1-CB 3.89Å; I6-L77 HydrophobicContact CD1-CD1 4.2Å; I6-L79 HydrophobicContact CG2-CB 3.66Å; I6-L79 HydrophobicContact CG2-CD1 4Å
7Y97.4Very high94.7Very high40 Ų4057.8 Ų57.816%0.15729%0.288CS..EExtended strand (participates in β ladder)trans-102.5147.1177.6-67.4-96.6000111.2E5 S9 L12 K13 L14 Q76 L77 Y78 L79E5-Y7 HydrophobicContact CB-CD2 4.17Å; E5-Y7 HydrophobicContact CB-CE2 3.46Å; E5-Y7 VanDerWaalsContact CB-CE2 3.46Å; E5-Y7 HydrophobicContact CG-CE2 4.42Å; E5-Y7 VanDerWaalsContact OE2-CE2 3.31Å; E5-Y7 WeakPolarHBondContact OE2-CE2 3.45Å; E5-Y7 PolarHBondContact OE2-OH 3.26Å; Y7-S9 PolarHBondContact O-N 2.92Å; Y7-L12 WeakPolarHBondContact CD1-O 3.46Å; Y7-K13 CarbonylContact C-O 3.52Å; Y7-K13 VanDerWaalsContact CA-O 3.3Å; Y7-K13 WeakPolarHBondContact CA-O 3.43Å; Y7-L14 HydrophobicContact CD1-CB 4.1Å; Y7-L14 HydrophobicContact CD1-CD1 4.42Å; Y7-L14 HydrophobicContact CD2-CD1 4.3Å; Y7-L14 HydrophobicContact CE1-CB 3.82Å; Y7-L14 HydrophobicContact CE1-CD1 4.08Å; Y7-L14 HydrophobicContact CE2-CD1 3.96Å; Y7-Q76 HydrophobicContact CD2-CB 4.41Å; Y7-Q76 HydrophobicContact CE2-CB 4.19Å; Y7-Q76 HydrophobicContact CE2-CG 3.94Å; Y7-L77 PolarHBondContact N-O 2.89Å; Y7-Y78 HydrophobicContact CG-CE1 4.42Å; Y7-Y78 CarbonylContact O-C 3.17Å; Y7-Y78 VanDerWaalsContact O-CA 3.29Å; Y7-Y78 WeakPolarHBondContact O-CA 3.25Å; Y7-L79 PolarHBondContact O-N 3.22Å
8D97.2Very high94.7Very high31 Ų3155 Ų5517%0.16627%0.274CS..EExtended strand (participates in β ladder)trans-68.8128.4169.9177.7-89.1000110.4K10 T11 L12 K13 L15D8-K10 PolarHBondContact O-N 3.21Å; D8-K10 VanDerWaalsContact O-N 3.11Å; D8-K10 WeakPolarHBondContact OD1-CA 3.5Å; D8-K10 WeakPolarHBondContact OD1-CB 3.47Å; D8-K10 PolarHBondContact OD1-N 3.28Å; D8-T11 VanDerWaalsContact CB-OG1 3.31Å; D8-T11 WeakPolarHBondContact CB-OG1 3.37Å; D8-T11 PolarHBondContact OD1-N 2.93Å; D8-T11 PolarHBondContact OD1-OG1 3.45Å; D8-L12 VanDerWaalsContact O-CA 3.23Å; D8-L12 WeakPolarHBondContact O-CA 3.24Å; D8-L12 PolarHBondContact O-N 3.22Å; D8-K13 PolarHBondContact N-O 3.17Å; D8-L15 HydrophobicContact CB-CD1 3.91Å; D8-L15 HydrophobicContact CB-CD2 4.05Å; D8-L15 HydrophobicContact CB-CG 3.95Å
9S95.9Very high94.6Very high13 Ų1357.3 Ų57.39%0.09128%0.284CS..THydrogen-bonded Turntrans-67.7-14.1-17474.30000114.5Y7 P52 L79 K80Y7-S9 PolarHBondContact O-N 2.92Å; S9-P52 WeakPolarHBondContact O-CB 3.32Å; S9-L79 WeakPolarHBondContact CB-O 3.28Å; S9-L79 PolarHBondContact N-O 3.38Å; S9-L79 PolarHBondContact OG-O 3.02Å; S9-K80 WeakPolarHBondContact OG-CA 3.34Å; S9-K80 WeakPolarHBondContact OG-CB 3.35Å
10K95.1Very high94.4Very high166 Ų16659.5 Ų59.572%0.72230%0.297SS*.THydrogen-bonded Turntrans-101.7-50.1-177.7-65178.7-179.6173.40111.5D8D8-K10 PolarHBondContact O-N 3.21Å; D8-K10 VanDerWaalsContact O-N 3.11Å; D8-K10 WeakPolarHBondContact OD1-CA 3.5Å; D8-K10 WeakPolarHBondContact OD1-CB 3.47Å; D8-K10 PolarHBondContact OD1-N 3.28Å
11T96.3Very high94.2Very high84 Ų8456.6 Ų56.652%0.51528%0.282SS..THydrogen-bonded Turntrans-90.4-14.4-175.163.50000112.9D8 K13D8-T11 VanDerWaalsContact CB-OG1 3.31Å; D8-T11 WeakPolarHBondContact CB-OG1 3.37Å; D8-T11 PolarHBondContact OD1-N 2.93Å; D8-T11 PolarHBondContact OD1-OG1 3.45Å; T11-K13 PolarHBondContact O-N 3.32Å; T11-K13 VanDerWaalsContact O-N 3.14Å
12L95.2Very high94.6Very high95 Ų9552.6 Ų52.650%0.49727%0.267SS..  trans58.918.6-176.8-48.2179.4000113.5Y7 D8 P52 Y78Y7-L12 WeakPolarHBondContact CD1-O 3.46Å; D8-L12 VanDerWaalsContact O-CA 3.23Å; D8-L12 WeakPolarHBondContact O-CA 3.24Å; D8-L12 PolarHBondContact O-N 3.22Å; L12-P52 HydrophobicContact CD2-CB 3.86Å; L12-P52 HydrophobicContact CD2-CG 3.5Å; L12-P52 VanDerWaalsContact CD2-CG 3.5Å; L12-Y78 HydrophobicContact CD2-CD1 4.14Å; L12-Y78 HydrophobicContact CD2-CE1 3.79Å
13K96.9Very high94.6Very high147 Ų14753 Ų5364%0.63927%0.273SS*.  trans-82.8141.3175.3-67.3-176.4176.1-175.30110.1Y7 D8 T11 L15Y7-K13 CarbonylContact C-O 3.52Å; Y7-K13 VanDerWaalsContact CA-O 3.3Å; Y7-K13 WeakPolarHBondContact CA-O 3.43Å; D8-K13 PolarHBondContact N-O 3.17Å; T11-K13 PolarHBondContact O-N 3.32Å; T11-K13 VanDerWaalsContact O-N 3.14Å; K13-L15 PolarHBondContact O-N 2.98Å
14L97.2Very high94.5Very high84 Ų8455.3 Ų55.344%0.4429%0.287SS..EExtended strand (participates in β ladder)trans-63.1124.5170.7-176.566.7000109.1E5 Y7E5-L14 HydrophobicContact CB-CD1 3.81Å; E5-L14 HydrophobicContact CG-CD1 4.25Å; Y7-L14 HydrophobicContact CD1-CB 4.1Å; Y7-L14 HydrophobicContact CD1-CD1 4.42Å; Y7-L14 HydrophobicContact CD2-CD1 4.3Å; Y7-L14 HydrophobicContact CE1-CB 3.82Å; Y7-L14 HydrophobicContact CE1-CD1 4.08Å; Y7-L14 HydrophobicContact CE2-CD1 3.96Å
15L96.8Very high94.5Very high68 Ų6856.4 Ų56.436%0.35629%0.292SS..EExtended strand (participates in β ladder)trans-94.4-45.9177.7-67.1175.6000111.3I6 D8 K13 I38 L79I6-L15 HydrophobicContact CG2-CD1 4.48Å; I6-L15 WeakPolarHBondContact O-CA 3.35Å; I6-L15 WeakPolarHBondContact O-CB 3.38Å; I6-L15 PolarHBondContact O-N 3.15Å; D8-L15 HydrophobicContact CB-CD1 3.91Å; D8-L15 HydrophobicContact CB-CD2 4.05Å; D8-L15 HydrophobicContact CB-CG 3.95Å; K13-L15 PolarHBondContact O-N 2.98Å; L15-I38 HydrophobicContact CB-CD1 3.8Å; L15-L79 HydrophobicContact CD1-CB 4.24Å; L15-L79 HydrophobicContact CD1-CD2 4.3Å
16T96.7Very high94.4Very high19 Ų1957.7 Ų57.712%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-160.2155.5178-174.50000110.2I6 L18 V34 N37 I38I6-T16 HydrophobicContact CB-CG2 3.9Å; I6-T16 HydrophobicContact CG1-CG2 3.99Å; I6-T16 PolarHBondContact N-O 3.46Å; I6-T16 PolarHBondContact O-N 3.18Å; T16-L18 HydrophobicContact CG2-CD2 4.25Å; T16-V34 HydrophobicContact CG2-CG1 4.46Å; T16-V34 HydrophobicContact CG2-CG2 4.45Å; T16-N37 HydrophobicContact CG2-CB 4.44Å; T16-N37 PolarHBondContact OG1-ND2 3.07Å; T16-I38 HydrophobicContact CG2-CD1 4.13Å
17T96.4Very high94.2Very high39 Ų3957.7 Ų57.724%0.23930%0.299CS..EExtended strand (participates in β ladder)trans-110137.4166.6-54.90000108.7Q3 E5 E19Q3-T17 HydrophobicContact CG-CG2 3.54Å; E5-T17 HydrophobicContact CG-CG2 4.22Å; T17-E19 WeakPolarHBondContact CG2-OE1 3.29Å
18L95Very high94Very high7 Ų757.8 Ų57.84%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-109.4117.3174.5-51.3178.3000107.8V4 I6 T16 V21 V30 R33 V34V4-L18 HydrophobicContact CB-CB 4.27Å; V4-L18 PolarHBondContact N-O 3.12Å; V4-L18 PolarHBondContact O-N 3.29Å; I6-L18 HydrophobicContact CG1-CD1 4.36Å; I6-L18 HydrophobicContact CG1-CG 4.44Å; T16-L18 HydrophobicContact CG2-CD2 4.25Å; L18-V21 HydrophobicContact CB-CG2 3.71Å; L18-V30 HydrophobicContact CD1-CG1 3.79Å; L18-R33 HydrophobicContact CD1-CB 3.89Å; L18-R33 HydrophobicContact CD2-CB 3.99Å; L18-V34 HydrophobicContact CD1-CG2 3.91Å
19E92.7Very high93.9Very high98 Ų9860.7 Ų60.746%0.45832%0.316SS..EExtended strand (participates in β ladder)trans-88.2160174.7-57.4-57.515700110.6Q3 T17 V21Q3-E19 WeakPolarHBondContact CG-OE2 3.21Å; Q3-E19 PolarHBondContact NE2-OE1 3.12Å; Q3-E19 PolarHBondContact NE2-OE2 3.02Å; T17-E19 WeakPolarHBondContact CG2-OE1 3.29Å; E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 2.86Å
20D90.4Very high93.9Very high101 Ų10160.1 Ų60.154%0.5431%0.312SS..EExtended strand (participates in β ladder)trans55.740.5169-69.9-40.1000113.9M1 L2 R33M1-D20 VanDerWaalsContact CE-C 3.43Å; M1-D20 HydrophobicContact CE-CB 3.59Å; M1-D20 WeakPolarHBondContact CE-O 3.41Å; L2-D20 PolarHBondContact O-N 3.36Å; D20-R33 PolarHBondContact O-NH2 3.45Å
21V91.4Very high94Very high0 Ų052.8 Ų52.80%028%0.28CS..EExtended strand (participates in β ladder)trans-83.8125.4175.4-173.80000108.9L2 V4 L18 E19 E25 V30 L63L2-V21 WeakPolarHBondContact CB-O 3.39Å; L2-V21 PolarHBondContact N-O 2.74Å; L2-V21 PolarHBondContact O-N 3.22Å; V4-V21 HydrophobicContact CB-CG2 4.3Å; V4-V21 HydrophobicContact CG2-CB 3.89Å; V4-V21 HydrophobicContact CG2-CG1 4.09Å; V4-V21 HydrophobicContact CG2-CG2 3.82Å; L18-V21 HydrophobicContact CB-CG2 3.71Å; E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 2.86Å; V21-E25 HydrophobicContact CG1-CB 4.41Å; V21-V30 HydrophobicContact CG1-CG2 4.2Å; V21-L63 HydrophobicContact CG1-CD2 3.63Å
22S90.4Very high94Very high40 Ų4052 Ų5228%0.2827%0.271SS..  trans-74.4142.5174.3-179.50000110.4D24 E25S22-D24 PolarHBondContact O-N 3.24Å; S22-D24 PolarHBondContact OG-N 3.37Å; S22-E25 PolarHBondContact N-OE1 2.86Å; S22-E25 WeakPolarHBondContact O-CB 3.11Å; S22-E25 PolarHBondContact O-N 3.27Å; S22-E25 VanDerWaalsContact O-N 3.12Å
23G88.2Confident94.1Very high18 Ų1851 Ų5119%0.18626%0.261CS..THydrogen-bonded Turntrans-62.7-21.2173.200000113.2E25 L63 Y64G23-E25 VanDerWaalsContact C-N 3.35Å; G23-L63 PolarHBondContact O-N 2.96Å; G23-Y64 VanDerWaalsContact O-CD1 3.28Å; G23-Y64 WeakPolarHBondContact O-CD1 3.47Å; G23-Y64 PolarHBondContact O-N 3.4Å
24D90.2Very high94.1Very high92 Ų9244 Ų4449%0.49223%0.23SC..THydrogen-bonded Turntrans-79.5-13176.5-83.2-60.1000114.3S22 K62S22-D24 PolarHBondContact O-N 3.24Å; S22-D24 PolarHBondContact OG-N 3.37Å; D24-K62 IonicContact OD1-NZ 2.67Å; D24-K62 PolarHBondContact OD1-NZ 3.2Å
25E92.5Very high94.1Very high23 Ų2345.4 Ų45.411%0.10723%0.229CC..  trans-63141.6177-75.7178.1-129.600111V21 S22 G23 E29 R33 L63V21-E25 HydrophobicContact CG1-CB 4.41Å; S22-E25 PolarHBondContact N-OE1 2.86Å; S22-E25 WeakPolarHBondContact O-CB 3.11Å; S22-E25 PolarHBondContact O-N 3.27Å; S22-E25 VanDerWaalsContact O-N 3.12Å; G23-E25 VanDerWaalsContact C-N 3.35Å; E25-E29 VanDerWaalsContact CA-OE2 3.29Å; E25-E29 WeakPolarHBondContact CA-OE2 3.16Å; E25-E29 HydrophobicContact CB-CB 4.37Å; E25-R33 IonicContact OE1-CZ 3.39Å; E25-R33 IonicContact OE1-NE 2.68Å; E25-R33 PolarHBondContact OE1-NE 3.04Å; E25-R33 IonicContact OE1-NH2 3.96Å; E25-R33 PolarHBondContact OE1-NH2 3.14Å; E25-R33 IonicContact OE2-CZ 2.76Å; E25-R33 IonicContact OE2-NE 3.34Å; E25-R33 PolarHBondContact OE2-NE 3.24Å; E25-R33 IonicContact OE2-NH2 3.97Å; E25-L63 PolarHBondContact O-N 3.02Å
26L93.3Very high94.1Very high47 Ų4749.1 Ų49.125%0.24625%0.245CC..BIsolated β-bridgetrans-77.2153.1171.3-61.1177.3000110.3V28 E29 V30 H60 E61 K62L26-V28 HydrophobicContact CB-CG1 3.87Å; L26-V28 HydrophobicContact CD1-CG1 4.27Å; L26-V28 PolarHBondContact O-N 3.41Å; L26-V28 VanDerWaalsContact O-N 3.14Å; L26-E29 HydrophobicContact CB-CG 4.32Å; L26-E29 PolarHBondContact N-OE2 3.27Å; L26-E29 WeakPolarHBondContact O-CB 3.24Å; L26-E29 PolarHBondContact O-N 2.76Å; L26-V30 PolarHBondContact O-N 3.04Å; L26-V30 VanDerWaalsContact O-N 3.11Å; L26-H60 WeakPolarHBondContact CD2-O 3.17Å; L26-E61 WeakPolarHBondContact CA-O 3.16Å; L26-K62 HydrophobicContact CD2-CG 3.78Å
27I93.7Very high94.1Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-54.5-33.9173-68.6-53.2000112.7E29 V30 K31 L48 L57 D58 E61 L63 I66I27-E29 VanDerWaalsContact C-N 3.32Å; I27-E29 PolarHBondContact O-N 3.33Å; I27-V30 PolarHBondContact O-N 3.13Å; I27-K31 WeakPolarHBondContact O-CG 3.2Å; I27-K31 PolarHBondContact O-N 3.29Å; I27-L48 HydrophobicContact CG2-CD1 4.22Å; I27-L57 HydrophobicContact CD1-CB 4.46Å; I27-L57 HydrophobicContact CD1-CD1 3.95Å; I27-L57 HydrophobicContact CG1-CB 4.11Å; I27-L57 HydrophobicContact CG1-CD1 4.49Å; I27-L57 HydrophobicContact CG2-CB 4.2Å; I27-D58 VanDerWaalsContact CB-O 3.25Å; I27-D58 WeakPolarHBondContact CB-O 3.43Å; I27-D58 WeakPolarHBondContact CG1-O 3.42Å; I27-E61 HydrophobicContact CG1-CB 4.45Å; I27-E61 WeakPolarHBondContact CG1-O 3.45Å; I27-E61 PolarHBondContact N-O 3.08Å; I27-L63 HydrophobicContact CD1-CD1 3.88Å; I27-I66 HydrophobicContact CD1-CD1 3.99Å
28V93.1Very high94Very high41 Ų4151.6 Ų51.625%0.24826%0.256CS..Hα-helixtrans-63.8-35.2174.668.30000112.9L26 K31 E32 D59L26-V28 HydrophobicContact CB-CG1 3.87Å; L26-V28 HydrophobicContact CD1-CG1 4.27Å; L26-V28 PolarHBondContact O-N 3.41Å; L26-V28 VanDerWaalsContact O-N 3.14Å; V28-K31 WeakPolarHBondContact O-CB 3.36Å; V28-K31 PolarHBondContact O-N 3.44Å; V28-E32 PolarHBondContact O-N 2.85Å; V28-D59 HydrophobicContact CB-CB 4.17Å; V28-D59 PolarHBondContact N-O 2.9Å
29E95.3Very high93.9Very high93 Ų9356 Ų5644%0.43529%0.285SS..Hα-helixtrans-71.7-41177.6-63.8173129.500110.3E25 L26 I27 K31 E32 R33E25-E29 VanDerWaalsContact CA-OE2 3.29Å; E25-E29 WeakPolarHBondContact CA-OE2 3.16Å; E25-E29 HydrophobicContact CB-CB 4.37Å; L26-E29 HydrophobicContact CB-CG 4.32Å; L26-E29 PolarHBondContact N-OE2 3.27Å; L26-E29 WeakPolarHBondContact O-CB 3.24Å; L26-E29 PolarHBondContact O-N 2.76Å; I27-E29 VanDerWaalsContact C-N 3.32Å; I27-E29 PolarHBondContact O-N 3.33Å; E29-K31 VanDerWaalsContact C-N 3.25Å; E29-K31 PolarHBondContact O-N 3.17Å; E29-E32 PolarHBondContact O-N 2.78Å; E29-E32 VanDerWaalsContact O-N 3.08Å; E29-R33 PolarHBondContact O-N 3.44Å
30V95.7Very high93.9Very high0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-56.6-41.9170.3-179.70000110.7L18 V21 L26 I27 R33 V34 L48 L63 L77L18-V30 HydrophobicContact CD1-CG1 3.79Å; V21-V30 HydrophobicContact CG1-CG2 4.2Å; L26-V30 PolarHBondContact O-N 3.04Å; L26-V30 VanDerWaalsContact O-N 3.11Å; I27-V30 PolarHBondContact O-N 3.13Å; V30-R33 PolarHBondContact O-N 3.39Å; V30-V34 WeakPolarHBondContact O-CG2 3.17Å; V30-V34 PolarHBondContact O-N 3.44Å; V30-L48 HydrophobicContact CB-CD1 4.34Å; V30-L48 HydrophobicContact CG1-CD1 3.89Å; V30-L63 HydrophobicContact CG2-CD1 4.31Å; V30-L77 HydrophobicContact CG1-CD1 4.47Å
31K96.6Very high94.1Very high13 Ų1353 Ų536%0.05727%0.268CS..Hα-helixtrans-64.3-38.5175.7-70.9177175.2-172.80113I27 V28 E29 V34 R35 T43 Q46 L48 D59I27-K31 WeakPolarHBondContact O-CG 3.2Å; I27-K31 PolarHBondContact O-N 3.29Å; V28-K31 WeakPolarHBondContact O-CB 3.36Å; V28-K31 PolarHBondContact O-N 3.44Å; E29-K31 VanDerWaalsContact C-N 3.25Å; E29-K31 PolarHBondContact O-N 3.17Å; K31-V34 PolarHBondContact O-N 2.63Å; K31-R35 PolarHBondContact O-N 3.14Å; K31-T43 VanDerWaalsContact C-CG2 3.45Å; K31-T43 HydrophobicContact CB-CG2 3.63Å; K31-T43 WeakPolarHBondContact O-CG2 3.45Å; K31-Q46 VanDerWaalsContact CA-OE1 3.29Å; K31-Q46 HydrophobicContact CD-CB 4.09Å; K31-Q46 VanDerWaalsContact CE-O 3.25Å; K31-Q46 WeakPolarHBondContact CE-O 3.24Å; K31-Q46 HydrophobicContact CG-CB 4.11Å; K31-Q46 PolarHBondContact NZ-O 3.48Å; K31-Q46 PolarHBondContact O-NE2 3.04Å; K31-Q46 PolarHBondContact O-OE1 2.99Å; K31-L48 HydrophobicContact CG-CD1 3.66Å; K31-L48 HydrophobicContact CG-CG 3.99Å; K31-D59 WeakPolarHBondContact CE-OD1 3.06Å; K31-D59 IonicContact NZ-OD1 2.8Å; K31-D59 PolarHBondContact NZ-OD1 3.15Å; K31-D59 IonicContact NZ-OD2 3.5Å
32E96.8Very high94.1Very high66 Ų6656.1 Ų56.131%0.30828%0.284SS..Hα-helixtrans-64.9-40.8175.9-68.1-61.1153.500110.5V28 E29 V34 R35 E36 T43V28-E32 PolarHBondContact O-N 2.85Å; E29-E32 PolarHBondContact O-N 2.78Å; E29-E32 VanDerWaalsContact O-N 3.08Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.3Å; E32-R35 WeakPolarHBondContact O-CA 3.21Å; E32-R35 VanDerWaalsContact O-CB 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.42Å; E32-R35 PolarHBondContact O-N 3.37Å; E32-R35 IonicContact OE1-NH1 3.05Å; E32-R35 WeakPolarHBondContact OE2-CD 3.38Å; E32-R35 IonicContact OE2-CZ 3.9Å; E32-R35 IonicContact OE2-NH1 3.36Å; E32-R35 PolarHBondContact OE2-NH1 3.44Å; E32-E36 PolarHBondContact O-N 2.98Å; E32-T43 HydrophobicContact CB-CG2 4.32Å; E32-T43 HydrophobicContact CG-CG2 3.78Å; E32-T43 WeakPolarHBondContact OE1-CB 3.37Å; E32-T43 WeakPolarHBondContact OE1-CG2 3.4Å; E32-T43 PolarHBondContact OE1-OG1 3.25Å
33R97.1Very high94.3Very high76 Ų7655.7 Ų55.729%0.28728%0.28SS..Hα-helixtrans-59.8-41.8171.6-67.6178.3176.5-102.315112.7L18 D20 E25 E29 V30 R35 E36 N37L18-R33 HydrophobicContact CD1-CB 3.89Å; L18-R33 HydrophobicContact CD2-CB 3.99Å; D20-R33 PolarHBondContact O-NH2 3.45Å; E25-R33 IonicContact OE1-CZ 3.39Å; E25-R33 IonicContact OE1-NE 2.68Å; E25-R33 PolarHBondContact OE1-NE 3.04Å; E25-R33 IonicContact OE1-NH2 3.96Å; E25-R33 PolarHBondContact OE1-NH2 3.14Å; E25-R33 IonicContact OE2-CZ 2.76Å; E25-R33 IonicContact OE2-NE 3.34Å; E25-R33 PolarHBondContact OE2-NE 3.24Å; E25-R33 IonicContact OE2-NH2 3.97Å; E29-R33 PolarHBondContact O-N 3.44Å; V30-R33 PolarHBondContact O-N 3.39Å; R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 3.27Å; R33-E36 WeakPolarHBondContact O-CB 3.42Å; R33-E36 PolarHBondContact O-N 3.46Å; R33-N37 PolarHBondContact O-N 2.98Å
34V97.2Very high94.4Very high0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-61.2-38.8173.71750000111.5I6 T16 L18 V30 K31 E32 E36 N37 I38 L79I6-V34 HydrophobicContact CD1-CG2 4.12Å; I6-V34 HydrophobicContact CG1-CG2 3.72Å; I6-V34 HydrophobicContact CG2-CG2 4.45Å; T16-V34 HydrophobicContact CG2-CG1 4.46Å; T16-V34 HydrophobicContact CG2-CG2 4.45Å; L18-V34 HydrophobicContact CD1-CG2 3.91Å; V30-V34 WeakPolarHBondContact O-CG2 3.17Å; V30-V34 PolarHBondContact O-N 3.44Å; K31-V34 PolarHBondContact O-N 2.63Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.3Å; V34-E36 VanDerWaalsContact C-N 3.33Å; V34-N37 PolarHBondContact O-N 3.07Å; V34-I38 HydrophobicContact CG1-CD1 4.44Å; V34-I38 PolarHBondContact O-N 3.23Å; V34-L79 HydrophobicContact CG1-CD1 3.68Å
35R96.4Very high94.6Very high112 Ų11254.5 Ų54.542%0.42327%0.27SS..Hα-helixtrans-65.8-35.7177.4175.4-167.8170.6-165.9-5111.5K31 E32 R33 N37 I38 P39 T43K31-R35 PolarHBondContact O-N 3.14Å; E32-R35 WeakPolarHBondContact O-CA 3.21Å; E32-R35 VanDerWaalsContact O-CB 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.42Å; E32-R35 PolarHBondContact O-N 3.37Å; E32-R35 IonicContact OE1-NH1 3.05Å; E32-R35 WeakPolarHBondContact OE2-CD 3.38Å; E32-R35 IonicContact OE2-CZ 3.9Å; E32-R35 IonicContact OE2-NH1 3.36Å; E32-R35 PolarHBondContact OE2-NH1 3.44Å; R33-R35 VanDerWaalsContact C-N 3.27Å; R33-R35 PolarHBondContact O-N 3.27Å; R35-N37 VanDerWaalsContact C-N 3.34Å; R35-I38 CarbonylContact O-C 3.54Å; R35-I38 PolarHBondContact O-N 2.89Å; R35-P39 WeakPolarHBondContact O-CA 3.4Å; R35-P39 VanDerWaalsContact O-N 3.14Å; R35-T43 HydrophobicContact CB-CG2 4.38Å
36E96.5Very high94.8Very high146 Ų14653.5 Ų53.568%0.68227%0.266SS*.Hα-helixtrans-60.4-44.1174.7-69.5172172.300111.4E32 R33 V34E32-E36 PolarHBondContact O-N 2.98Å; R33-E36 WeakPolarHBondContact O-CB 3.42Å; R33-E36 PolarHBondContact O-N 3.46Å; V34-E36 VanDerWaalsContact C-N 3.33Å
37N96.4Very high94.9Very high88 Ų8851.3 Ų51.347%0.47126%0.255SS..Hα-helixtrans-77.1-28.9177.9-68.5-5.7000113.1T16 R33 V34 R35T16-N37 HydrophobicContact CG2-CB 4.44Å; T16-N37 PolarHBondContact OG1-ND2 3.07Å; R33-N37 PolarHBondContact O-N 2.98Å; V34-N37 PolarHBondContact O-N 3.07Å; R35-N37 VanDerWaalsContact C-N 3.34Å
38I95.5Very high95Very high23 Ų2351.4 Ų51.412%0.11826%0.255CS..SBendtrans-132.377.8-176.9-46.9178.6000110.2L15 T16 V34 R35 H40 L41L15-I38 HydrophobicContact CB-CD1 3.8Å; T16-I38 HydrophobicContact CG2-CD1 4.13Å; V34-I38 HydrophobicContact CG1-CD1 4.44Å; V34-I38 PolarHBondContact O-N 3.23Å; R35-I38 CarbonylContact O-C 3.54Å; R35-I38 PolarHBondContact O-N 2.89Å; I38-H40 VanDerWaalsContact C-N 3.29Å; I38-H40 WeakPolarHBondContact CG2-CE1 3.37Å; I38-H40 PolarHBondContact O-N 3.12Å; I38-L41 HydrophobicContact CB-CD1 4.34Å; I38-L41 HydrophobicContact CD1-CD1 4.42Å; I38-L41 HydrophobicContact CG2-CB 4.28Å; I38-L41 HydrophobicContact CG2-CD1 3.76Å; I38-L41 HydrophobicContact CG2-CG 3.9Å; I38-L41 PolarHBondContact O-N 3.13Å
39P93.1Very high95.1Very high100 Ų10050.9 Ų50.965%0.64925%0.249SC*.THydrogen-bonded Turntrans-58.3-29.3-167.4-30.237.2000116.6R35 L41R35-P39 WeakPolarHBondContact O-CA 3.4Å; R35-P39 VanDerWaalsContact O-N 3.14Å; P39-L41 PolarHBondContact O-N 2.85Å
40H92.4Very high95Very high127 Ų12750.3 Ų50.359%0.58825%0.248SC*.THydrogen-bonded Turntrans-73.7-1618069.3-89.3000113.3I38 N42 R45I38-H40 VanDerWaalsContact C-N 3.29Å; I38-H40 WeakPolarHBondContact CG2-CE1 3.37Å; I38-H40 PolarHBondContact O-N 3.12Å; H40-N42 PolarHBondContact O-N 3.03Å; H40-R45 PolarHBondContact O-NH1 3.09Å
41L93.4Very high94.8Very high9 Ų956.6 Ų56.65%0.04728%0.277CS..SBendtrans-94.577.3173.5-66.3179.9000109.7I38 P39 Q46 L79 D81I38-L41 HydrophobicContact CB-CD1 4.34Å; I38-L41 HydrophobicContact CD1-CD1 4.42Å; I38-L41 HydrophobicContact CG2-CB 4.28Å; I38-L41 HydrophobicContact CG2-CD1 3.76Å; I38-L41 HydrophobicContact CG2-CG 3.9Å; I38-L41 PolarHBondContact O-N 3.13Å; P39-L41 PolarHBondContact O-N 2.85Å; L41-Q46 HydrophobicContact CB-CG 4.27Å; L41-Q46 PolarHBondContact O-NE2 3.46Å; L41-L79 HydrophobicContact CD1-CD1 4.09Å; L41-L79 HydrophobicContact CD1-CD2 3.89Å; L41-D81 HydrophobicContact CD2-CB 4.1Å
42N92.5Very high94.6Very high65 Ų6557.8 Ų57.835%0.34829%0.286SS..  trans-60158.5170.671.244.4000111.6H40 A44 R45 Q46H40-N42 PolarHBondContact O-N 3.03Å; N42-A44 VanDerWaalsContact C-N 3.25Å; N42-A44 PolarHBondContact O-N 3.18Å; N42-A44 PolarHBondContact OD1-N 3.31Å; N42-R45 WeakPolarHBondContact O-CB 3.35Å; N42-R45 PolarHBondContact O-N 2.85Å; N42-R45 WeakPolarHBondContact OD1-CG 3.26Å; N42-R45 PolarHBondContact OD1-N 2.77Å; N42-Q46 WeakPolarHBondContact O-CG 3.21Å; N42-Q46 PolarHBondContact O-N 2.8Å
43T93.7Very high94.4Very high30 Ų3066.1 Ų66.118%0.18432%0.315CS..G310 helixtrans-62.5-28.8-17249.30000114.5K31 E32 R35 R45 Q46K31-T43 VanDerWaalsContact C-CG2 3.45Å; K31-T43 HydrophobicContact CB-CG2 3.63Å; K31-T43 WeakPolarHBondContact O-CG2 3.45Å; E32-T43 HydrophobicContact CB-CG2 4.32Å; E32-T43 HydrophobicContact CG-CG2 3.78Å; E32-T43 WeakPolarHBondContact OE1-CB 3.37Å; E32-T43 WeakPolarHBondContact OE1-CG2 3.4Å; E32-T43 PolarHBondContact OE1-OG1 3.25Å; R35-T43 HydrophobicContact CB-CG2 4.38Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 2.63Å; T43-Q46 PolarHBondContact O-N 3.31Å
44A92Very high94.1Very high35 Ų3563.3 Ų63.329%0.28931%0.31SS..G310 helixtrans-67-31.4173.900000113.1N42 Q46 Q85 T156N42-A44 VanDerWaalsContact C-N 3.25Å; N42-A44 PolarHBondContact O-N 3.18Å; N42-A44 PolarHBondContact OD1-N 3.31Å; A44-Q46 VanDerWaalsContact C-N 3.32Å; A44-Q85 HydrophobicContact CB-CB 4.2Å; A44-Q85 HydrophobicContact CB-CG 4.29Å; A44-Q85 WeakPolarHBondContact O-CG 3.36Å; A44-T156 HydrophobicContact CB-CG2 3.92Å
45R94.4Very high93.8Very high50 Ų5071 Ų7119%0.18934%0.343CS..G310 helixtrans-75.7-20.7176.5-71.1-17965.8173.28.8113.2H40 N42 T43 D81 L82 G83 Q85H40-R45 PolarHBondContact O-NH1 3.09Å; N42-R45 WeakPolarHBondContact O-CB 3.35Å; N42-R45 PolarHBondContact O-N 2.85Å; N42-R45 WeakPolarHBondContact OD1-CG 3.26Å; N42-R45 PolarHBondContact OD1-N 2.77Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 2.63Å; R45-D81 IonicContact CZ-OD1 3.61Å; R45-D81 IonicContact CZ-OD2 3.81Å; R45-D81 IonicContact NE-OD1 2.74Å; R45-D81 PolarHBondContact NE-OD1 2.99Å; R45-D81 IonicContact NE-OD2 3.5Å; R45-D81 VanDerWaalsContact NH2-CG 3.35Å; R45-D81 IonicContact NH2-OD1 3.57Å; R45-D81 PolarHBondContact NH2-OD1 3.43Å; R45-D81 IonicContact NH2-OD2 3.55Å; R45-D81 PolarHBondContact NH2-OD2 2.95Å; R45-L82 WeakPolarHBondContact O-CB 3.22Å; R45-L82 WeakPolarHBondContact O-CG 3.43Å; R45-L82 PolarHBondContact O-N 3.35Å; R45-G83 WeakPolarHBondContact CG-O 3.25Å; R45-Q85 HydrophobicContact CG-CG 4.25Å
46Q95.3Very high93.6Very high2 Ų269 Ų691%0.00935%0.346CS..EExtended strand (participates in β ladder)trans-84.8128.2-172.7-59.2179.732.800111.6K31 L41 N42 T43 A44 L79K31-Q46 VanDerWaalsContact CA-OE1 3.29Å; K31-Q46 HydrophobicContact CD-CB 4.09Å; K31-Q46 VanDerWaalsContact CE-O 3.25Å; K31-Q46 WeakPolarHBondContact CE-O 3.24Å; K31-Q46 HydrophobicContact CG-CB 4.11Å; K31-Q46 PolarHBondContact NZ-O 3.48Å; K31-Q46 PolarHBondContact O-NE2 3.04Å; K31-Q46 PolarHBondContact O-OE1 2.99Å; L41-Q46 HydrophobicContact CB-CG 4.27Å; L41-Q46 PolarHBondContact O-NE2 3.46Å; N42-Q46 WeakPolarHBondContact O-CG 3.21Å; N42-Q46 PolarHBondContact O-N 2.8Å; T43-Q46 PolarHBondContact O-N 3.31Å; A44-Q46 VanDerWaalsContact C-N 3.32Å; Q46-L79 HydrophobicContact CB-CD1 4.33Å; Q46-L79 HydrophobicContact CG-CD1 3.96Å
47S95.1Very high93.4Very high2 Ų262.9 Ų62.91%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-117.998.9165.91650000108.6R49 S56 K80S47-R49 PolarHBondContact OG-NE 3.49Å; S47-R49 VanDerWaalsContact OG-NE 3.1Å; S47-R49 PolarHBondContact OG-NH2 2.91Å; S47-S56 PolarHBondContact OG-OG 3.34Å; S47-K80 WeakPolarHBondContact CB-O 3.11Å; S47-K80 PolarHBondContact N-O 2.75Å; S47-K80 PolarHBondContact O-N 2.97Å
48L95.9Very high93Very high1 Ų163.4 Ų63.41%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-79.6140.2175.6-62-176.1000110.8I6 I27 V30 K31 S56 L57 L77 Y78 L79I6-L48 HydrophobicContact CD1-CD2 4.36Å; I27-L48 HydrophobicContact CG2-CD1 4.22Å; V30-L48 HydrophobicContact CB-CD1 4.34Å; V30-L48 HydrophobicContact CG1-CD1 3.89Å; K31-L48 HydrophobicContact CG-CD1 3.66Å; K31-L48 HydrophobicContact CG-CG 3.99Å; L48-S56 CarbonylContact O-C 3.43Å; L48-S56 WeakPolarHBondContact O-CA 3.19Å; L48-L57 HydrophobicContact CB-CD1 4.33Å; L48-L57 PolarHBondContact O-N 3.35Å; L48-L77 HydrophobicContact CD1-CD1 4.29Å; L48-Y78 CarbonylContact C-O 3.52Å; L48-Y78 WeakPolarHBondContact CA-O 3.36Å; L48-L79 HydrophobicContact CD2-CB 3.99Å; L48-L79 HydrophobicContact CD2-CD1 4.16Å; L48-L79 HydrophobicContact CD2-CG 4.22Å
49R95.3Very high92.7Very high31 Ų3165 Ų6512%0.11733%0.33CS..EExtended strand (participates in β ladder)trans-146.6150.7-170.4-53.6172.3176.5-134.3-21.7110.8S47 Q51 G54 Y78 K80S47-R49 PolarHBondContact OG-NE 3.49Å; S47-R49 VanDerWaalsContact OG-NE 3.1Å; S47-R49 PolarHBondContact OG-NH2 2.91Å; R49-Q51 VanDerWaalsContact C-N 3.34Å; R49-Q51 VanDerWaalsContact CB-O 3.3Å; R49-Q51 WeakPolarHBondContact CB-O 3.35Å; R49-G54 PolarHBondContact NH1-O 2.98Å; R49-Y78 PolarHBondContact N-O 3.14Å; R49-Y78 PolarHBondContact O-N 3.34Å; R49-K80 VanDerWaalsContact CZ-CD 3.49Å
50L93.3Very high92.5Very high81 Ų8164 Ų6442%0.42432%0.317SS..SBendtrans-78.4-19.8173-58.1176.9000113.8L57 I66 L77L50-L57 HydrophobicContact CD1-CD2 4.26Å; L50-L57 HydrophobicContact CD2-CD1 4.2Å; L50-L57 HydrophobicContact CD2-CD2 4.17Å; L50-L57 HydrophobicContact CG-CD2 3.92Å; L50-I66 HydrophobicContact CD1-CG2 4.05Å; L50-I66 HydrophobicContact CD2-CD1 4.31Å; L50-I66 HydrophobicContact CD2-CG2 3.3Å; L50-I66 HydrophobicContact CG-CG2 4.3Å; L50-L77 HydrophobicContact CD2-CD2 3.78Å
51Q92.9Very high92.3Very high131 Ų13161 Ų6161%0.61230%0.303SS*.SBendtrans-137.5150.4179.3-65.7175.9-1.900108.7R49 R53 G54R49-Q51 VanDerWaalsContact C-N 3.34Å; R49-Q51 VanDerWaalsContact CB-O 3.3Å; R49-Q51 WeakPolarHBondContact CB-O 3.35Å; Q51-R53 PolarHBondContact O-N 2.8Å; Q51-R53 VanDerWaalsContact O-N 3.14Å; Q51-G54 PolarHBondContact O-N 3.38Å
52P92Very high92.2Very high38 Ų3864 Ų6425%0.24732%0.315CS..THydrogen-bonded Turntrans-51.8-42.8-179-2732.9000113.4S9 L12 Y78S9-P52 WeakPolarHBondContact O-CB 3.32Å; L12-P52 HydrophobicContact CD2-CB 3.86Å; L12-P52 HydrophobicContact CD2-CG 3.5Å; L12-P52 VanDerWaalsContact CD2-CG 3.5Å; P52-Y78 HydrophobicContact CB-CD1 4.32Å; P52-Y78 HydrophobicContact CG-CD1 3.76Å; P52-Y78 HydrophobicContact CG-CD2 4.3Å; P52-Y78 HydrophobicContact CG-CE1 3.64Å; P52-Y78 HydrophobicContact CG-CE2 4.2Å; P52-Y78 HydrophobicContact CG-CG 4.09Å
53R91.9Very high92Very high241 Ų24160.9 Ų60.991%0.90930%0.299SS*.THydrogen-bonded Turntrans-102.912.1177.6-62.9-176.3179.61770.8113.6Q51Q51-R53 PolarHBondContact O-N 2.8Å; Q51-R53 VanDerWaalsContact O-N 3.14Å
54G90.9Very high91.7Very high18 Ų1865.1 Ų65.119%0.18631%0.312CS..SBendtrans-71.3179.7179.900000113.6R49 Q51R49-G54 PolarHBondContact NH1-O 2.98Å; Q51-G54 PolarHBondContact O-N 3.38Å
55K90.3Very high91.4Very high160 Ų16068 Ų6870%0.69632%0.323SS*.PPolyproline II helixtrans-75.1151.3171.9-67.9-176.2176.8-175.60110.5
56S92.2Very high90.9Very high70 Ų7066 Ų6649%0.4932%0.315SS..BIsolated β-bridgetrans-60.8136.8166.5-51.80000109.5S47 L48S47-S56 PolarHBondContact OG-OG 3.34Å; L48-S56 CarbonylContact O-C 3.43Å; L48-S56 WeakPolarHBondContact O-CA 3.19Å
57L92.3Very high89.6Confident19 Ų1975.4 Ų75.410%0.09936%0.356CS..PPolyproline II helixtrans-66.2150165-66.4170.2000109.9I27 L48 L50 I66 L77I27-L57 HydrophobicContact CD1-CB 4.46Å; I27-L57 HydrophobicContact CD1-CD1 3.95Å; I27-L57 HydrophobicContact CG1-CB 4.11Å; I27-L57 HydrophobicContact CG1-CD1 4.49Å; I27-L57 HydrophobicContact CG2-CB 4.2Å; L48-L57 HydrophobicContact CB-CD1 4.33Å; L48-L57 PolarHBondContact O-N 3.35Å; L50-L57 HydrophobicContact CD1-CD2 4.26Å; L50-L57 HydrophobicContact CD2-CD1 4.2Å; L50-L57 HydrophobicContact CD2-CD2 4.17Å; L50-L57 HydrophobicContact CG-CD2 3.92Å; L57-I66 HydrophobicContact CD1-CD1 3.83Å; L57-I66 HydrophobicContact CD2-CD1 4.21Å; L57-I66 HydrophobicContact CD2-CG1 4.43Å; L57-L77 HydrophobicContact CD1-CD2 3.87Å
58D88.5Confident88.2Confident98 Ų9878.4 Ų78.452%0.52439%0.387SS..PPolyproline II helixtrans-75.6132.5174.3-166.5-37.1000109.1I27 H60 E61I27-D58 VanDerWaalsContact CB-O 3.25Å; I27-D58 WeakPolarHBondContact CB-O 3.43Å; I27-D58 WeakPolarHBondContact CG1-O 3.42Å; D58-H60 PolarHBondContact O-N 3.26Å; D58-H60 VanDerWaalsContact O-N 3.1Å; D58-H60 IonicContact OD1-CD2 3.93Å; D58-H60 PolarHBondContact OD1-CD2 2.97Å; D58-H60 PolarHBondContact OD1-N 3.3Å; D58-E61 HydrophobicContact CB-CB 4.13Å; D58-E61 WeakPolarHBondContact O-CB 3.24Å; D58-E61 PolarHBondContact O-N 3.45Å; D58-E61 VanDerWaalsContact O-N 3.07Å
59D89.9Confident86.8Confident56 Ų5679.4 Ų79.430%0.29939%0.393SS..THydrogen-bonded Turntrans-58-23.1178.7-74.1-13.8000113.4V28 K31V28-D59 HydrophobicContact CB-CB 4.17Å; V28-D59 PolarHBondContact N-O 2.9Å; K31-D59 WeakPolarHBondContact CE-OD1 3.06Å; K31-D59 IonicContact NZ-OD1 2.8Å; K31-D59 PolarHBondContact NZ-OD1 3.15Å; K31-D59 IonicContact NZ-OD2 3.5Å
60H87.4Confident85.4Confident81 Ų8183.1 Ų83.138%0.37542%0.416SS..THydrogen-bonded Turntrans-104.75.2-177.7-56.2-73.1000112.5L26 D58 K225L26-H60 WeakPolarHBondContact CD2-O 3.17Å; D58-H60 PolarHBondContact O-N 3.26Å; D58-H60 VanDerWaalsContact O-N 3.1Å; D58-H60 IonicContact OD1-CD2 3.93Å; D58-H60 PolarHBondContact OD1-CD2 2.97Å; D58-H60 PolarHBondContact OD1-N 3.3Å; H60-K225 PolarHBondContact CE1-NZ 3.24Å; H60-K225 PolarHBondContact NE2-NZ 2.76Å
61E88.6Confident83.8Confident64 Ų6483.8 Ų83.830%0.29943%0.432SS..SBendtrans-77.2135170.5-170.7164.1-150.400109.1L26 I27 D58 L65L26-E61 WeakPolarHBondContact CA-O 3.16Å; I27-E61 HydrophobicContact CG1-CB 4.45Å; I27-E61 WeakPolarHBondContact CG1-O 3.45Å; I27-E61 PolarHBondContact N-O 3.08Å; D58-E61 HydrophobicContact CB-CB 4.13Å; D58-E61 WeakPolarHBondContact O-CB 3.24Å; D58-E61 PolarHBondContact O-N 3.45Å; D58-E61 VanDerWaalsContact O-N 3.07Å; E61-L65 HydrophobicContact CG-CB 4.13Å; E61-L65 HydrophobicContact CG-CD1 4.33Å
62K90.8Very high82.5Confident71 Ų7180.6 Ų80.631%0.30944%0.435SS..BIsolated β-bridgetrans-76.1143.9172-71.9-169.3169.2-166.70110.2D24 L26 Y64 L65D24-K62 IonicContact OD1-NZ 2.67Å; D24-K62 PolarHBondContact OD1-NZ 3.2Å; L26-K62 HydrophobicContact CD2-CG 3.78Å; K62-Y64 VanDerWaalsContact C-N 3.29Å; K62-Y64 HydrophobicContact CB-CD1 3.91Å; K62-Y64 HydrophobicContact CB-CE1 3.79Å; K62-Y64 HydrophobicContact CD-CD1 4.03Å; K62-Y64 HydrophobicContact CD-CE1 3.26Å; K62-Y64 HydrophobicContact CG-CE1 4.2Å; K62-Y64 PolarHBondContact O-N 3.06Å; K62-L65 HydrophobicContact CB-CD1 4.28Å; K62-L65 HydrophobicContact CB-CG 4.45Å; K62-L65 WeakPolarHBondContact O-CB 3.09Å; K62-L65 PolarHBondContact O-N 3.49Å
63L89.8Confident81.8Confident0 Ų081.7 Ų81.70%044%0.439CS..G310 helixtrans-58.8-38.1-175.5-161.669.2000113L2 V4 V21 G23 E25 I27 V30 L65 I66 L75L2-L63 HydrophobicContact CD1-CD2 3.69Å; L2-L63 HydrophobicContact CD1-CG 4.39Å; V4-L63 HydrophobicContact CG2-CD2 3.98Å; V21-L63 HydrophobicContact CG1-CD2 3.63Å; G23-L63 PolarHBondContact O-N 2.96Å; E25-L63 PolarHBondContact O-N 3.02Å; I27-L63 HydrophobicContact CD1-CD1 3.88Å; V30-L63 HydrophobicContact CG2-CD1 4.31Å; L63-L65 PolarHBondContact O-N 3.49Å; L63-I66 HydrophobicContact CD1-CD1 3.8Å; L63-I66 VanDerWaalsContact O-CB 3.29Å; L63-I66 WeakPolarHBondContact O-CB 3.26Å; L63-I66 WeakPolarHBondContact O-CG1 3.33Å; L63-I66 PolarHBondContact O-N 3.43Å; L63-I66 VanDerWaalsContact O-N 3.11Å; L63-L75 HydrophobicContact CD1-CD2 3.58Å; L63-L75 HydrophobicContact CD2-CD2 4.21Å; L63-L75 HydrophobicContact CG-CD2 3.91Å
64Y86.2Confident81.5Confident118 Ų11878.4 Ų78.446%0.46343%0.426SS..G310 helixtrans-64.7-20.2179.576.8-107.8000114.1G23 K62 I66G23-Y64 VanDerWaalsContact O-CD1 3.28Å; G23-Y64 WeakPolarHBondContact O-CD1 3.47Å; G23-Y64 PolarHBondContact O-N 3.4Å; K62-Y64 VanDerWaalsContact C-N 3.29Å; K62-Y64 HydrophobicContact CB-CD1 3.91Å; K62-Y64 HydrophobicContact CB-CE1 3.79Å; K62-Y64 HydrophobicContact CD-CD1 4.03Å; K62-Y64 HydrophobicContact CD-CE1 3.26Å; K62-Y64 HydrophobicContact CG-CE1 4.2Å; K62-Y64 PolarHBondContact O-N 3.06Å; Y64-I66 PolarHBondContact O-N 3.35Å
65L85.7Confident81.5Confident97 Ų9778.4 Ų78.451%0.50842%0.422SS..G310 helixtrans-75-15.6177.9-68.7171.8000112.1E61 K62 L63 K67E61-L65 HydrophobicContact CG-CB 4.13Å; E61-L65 HydrophobicContact CG-CD1 4.33Å; K62-L65 HydrophobicContact CB-CD1 4.28Å; K62-L65 HydrophobicContact CB-CG 4.45Å; K62-L65 WeakPolarHBondContact O-CB 3.09Å; K62-L65 PolarHBondContact O-N 3.49Å; L63-L65 PolarHBondContact O-N 3.49Å; L65-K67 PolarHBondContact O-N 2.92Å
66I83.7Confident81.6Confident6 Ų675.1 Ų75.13%0.03141%0.409CS..SBendtrans-70.5119.6174.7-60.3178.3000108.6I27 L50 L57 L63 Y64 G68 V69 L75I27-I66 HydrophobicContact CD1-CD1 3.99Å; L50-I66 HydrophobicContact CD1-CG2 4.05Å; L50-I66 HydrophobicContact CD2-CD1 4.31Å; L50-I66 HydrophobicContact CD2-CG2 3.3Å; L50-I66 HydrophobicContact CG-CG2 4.3Å; L57-I66 HydrophobicContact CD1-CD1 3.83Å; L57-I66 HydrophobicContact CD2-CD1 4.21Å; L57-I66 HydrophobicContact CD2-CG1 4.43Å; L63-I66 HydrophobicContact CD1-CD1 3.8Å; L63-I66 VanDerWaalsContact O-CB 3.29Å; L63-I66 WeakPolarHBondContact O-CB 3.26Å; L63-I66 WeakPolarHBondContact O-CG1 3.33Å; L63-I66 PolarHBondContact O-N 3.43Å; L63-I66 VanDerWaalsContact O-N 3.11Å; Y64-I66 PolarHBondContact O-N 3.35Å; I66-G68 PolarHBondContact O-N 3.32Å; I66-V69 HydrophobicContact CB-CG2 4.03Å; I66-V69 HydrophobicContact CG2-CG2 4.2Å; I66-V69 WeakPolarHBondContact O-CG2 3.26Å; I66-V69 PolarHBondContact O-N 3.49Å; I66-L75 HydrophobicContact CG2-CD1 4.49Å
67K69.4Low81.7Confident201 Ų20171.8 Ų71.887%0.87439%0.386SS*.THydrogen-bonded Turntrans-52.8130.9178.4-69.5-172.1174.9-171.40111.4L65L65-K67 PolarHBondContact O-N 2.92Å
68G66.1Low82Confident64 Ų6472.9 Ų72.966%0.6639%0.389SS*.THydrogen-bonded Turntrans947.2175.100000115.1I66I66-G68 PolarHBondContact O-N 3.32Å
69V65.2Low82.4Confident22 Ų2268.3 Ų68.313%0.13337%0.365CS..  trans-90.8102.3173.8178.80000109.6L2 I66 L75L2-V69 HydrophobicContact CD1-CG1 3.37Å; L2-V69 HydrophobicContact CD2-CG1 3.62Å; L2-V69 HydrophobicContact CG-CG1 4.14Å; I66-V69 HydrophobicContact CB-CG2 4.03Å; I66-V69 HydrophobicContact CG2-CG2 4.2Å; I66-V69 WeakPolarHBondContact O-CG2 3.26Å; I66-V69 PolarHBondContact O-N 3.49Å; V69-L75 HydrophobicContact CG2-CD1 3.79Å; V69-L75 HydrophobicContact CG2-CD2 3.84Å; V69-L75 HydrophobicContact CG2-CG 4.28Å
70N65.6Low82.7Confident110 Ų11069.2 Ų69.259%0.58837%0.366SS*.  trans-104.2157.8163.2-45.9-70.8000110.8L2 G72 D73L2-N70 WeakPolarHBondContact CD2-O 3.41Å; N70-G72 PolarHBondContact O-N 3.38Å; N70-D73 WeakPolarHBondContact CA-OD2 3.19Å; N70-D73 WeakPolarHBondContact CB-OD2 3.25Å; N70-D73 PolarHBondContact N-OD2 3.47Å; N70-D73 PolarHBondContact ND2-OD2 3.15Å; N70-D73 VanDerWaalsContact O-CB 3.27Å; N70-D73 WeakPolarHBondContact O-CB 3.11Å; N70-D73 PolarHBondContact O-N 3.23Å
71A61.2Low83.1Confident94 Ų9468 Ų6878%0.77736%0.362SS*.THydrogen-bonded Turntrans-59.5127.9177.700000111.1
72G64.8Low83.3Confident65 Ų6568.2 Ų68.267%0.6737%0.365SS*.THydrogen-bonded Turntrans90-7.9-174.800000114.9M1 N70M1-G72 PolarHBondContact O-N 2.87Å; N70-G72 PolarHBondContact O-N 3.38Å
73D76.5Confident83.5Confident61 Ų6165.7 Ų65.733%0.32636%0.359SS..PPolyproline II helixtrans-74.6151177.7-71.8-21.7000112.3N70N70-D73 WeakPolarHBondContact CA-OD2 3.19Å; N70-D73 WeakPolarHBondContact CB-OD2 3.25Å; N70-D73 PolarHBondContact N-OD2 3.47Å; N70-D73 PolarHBondContact ND2-OD2 3.15Å; N70-D73 VanDerWaalsContact O-CB 3.27Å; N70-D73 WeakPolarHBondContact O-CB 3.11Å; N70-D73 PolarHBondContact O-N 3.23Å
74R85.5Confident83.7Confident171 Ų17169.8 Ų69.865%0.64539%0.386SS*.EExtended strand (participates in β ladder)trans-83.2116.4165.5-67.8-173175.5166.94.8109.4Q3Q3-R74 HydrophobicContact CB-CG 4.44Å; Q3-R74 WeakPolarHBondContact O-CA 3.47Å
75L90.8Very high84.1Confident19 Ų1966 Ų6610%0.09937%0.372CS..EExtended strand (participates in β ladder)trans-96.4124.8174.317962.1000110.3Q3 V4 E5 L63 I66 V69 L77Q3-L75 PolarHBondContact O-N 2.99Å; V4-L75 CarbonylContact C-O 3.48Å; V4-L75 WeakPolarHBondContact CA-O 3.48Å; V4-L75 HydrophobicContact CG2-CB 4.35Å; V4-L75 HydrophobicContact CG2-CD2 4.4Å; E5-L75 PolarHBondContact N-O 3.25Å; L63-L75 HydrophobicContact CD1-CD2 3.58Å; L63-L75 HydrophobicContact CD2-CD2 4.21Å; L63-L75 HydrophobicContact CG-CD2 3.91Å; I66-L75 HydrophobicContact CG2-CD1 4.49Å; V69-L75 HydrophobicContact CG2-CD1 3.79Å; V69-L75 HydrophobicContact CG2-CD2 3.84Å; V69-L75 HydrophobicContact CG2-CG 4.28Å; L75-L77 HydrophobicContact CD1-CD2 4.36Å; L75-L77 HydrophobicContact CD2-CD1 4.39Å; L75-L77 HydrophobicContact CD2-CD2 4.18Å; L75-L77 HydrophobicContact CD2-CG 4.24Å; L75-L77 HydrophobicContact CG-CD2 4.15Å; L75-L77 HydrophobicContact CG-CG 4.19Å
76Q92.8Very high84.5Confident91 Ų9162.5 Ų62.543%0.42535%0.353SS..EExtended strand (participates in β ladder)trans-99.1122.5174.9-60.8-172.5-24.400110.6E5 Y7E5-Q76 PolarHBondContact OE2-NE2 3.34Å; Y7-Q76 HydrophobicContact CD2-CB 4.41Å; Y7-Q76 HydrophobicContact CE2-CB 4.19Å; Y7-Q76 HydrophobicContact CE2-CG 3.94Å
77L95.6Very high85Confident0 Ų063.5 Ų63.50%037%0.365CS..EExtended strand (participates in β ladder)trans-119.4149.1173-59.7-179.8000110.5V4 E5 I6 Y7 V30 L48 L50 L57 L75V4-L77 HydrophobicContact CG1-CD1 3.78Å; V4-L77 HydrophobicContact CG1-CG 4.06Å; E5-L77 PolarHBondContact O-N 2.98Å; I6-L77 WeakPolarHBondContact CA-O 3.41Å; I6-L77 HydrophobicContact CD1-CB 3.89Å; I6-L77 HydrophobicContact CD1-CD1 4.2Å; Y7-L77 PolarHBondContact N-O 2.89Å; V30-L77 HydrophobicContact CG1-CD1 4.47Å; L48-L77 HydrophobicContact CD1-CD1 4.29Å; L50-L77 HydrophobicContact CD2-CD2 3.78Å; L57-L77 HydrophobicContact CD1-CD2 3.87Å; L75-L77 HydrophobicContact CD1-CD2 4.36Å; L75-L77 HydrophobicContact CD2-CD1 4.39Å; L75-L77 HydrophobicContact CD2-CD2 4.18Å; L75-L77 HydrophobicContact CD2-CG 4.24Å; L75-L77 HydrophobicContact CG-CD2 4.15Å; L75-L77 HydrophobicContact CG-CG 4.19Å
78Y97.2Very high86.1Confident42 Ų4257.1 Ų57.117%0.16534%0.336CS..EExtended strand (participates in β ladder)trans-107.9122.8176.5-63.4-88000110.3Y7 L12 L48 R49 P52Y7-Y78 HydrophobicContact CG-CE1 4.42Å; Y7-Y78 CarbonylContact O-C 3.17Å; Y7-Y78 VanDerWaalsContact O-CA 3.29Å; Y7-Y78 WeakPolarHBondContact O-CA 3.25Å; L12-Y78 HydrophobicContact CD2-CD1 4.14Å; L12-Y78 HydrophobicContact CD2-CE1 3.79Å; L48-Y78 CarbonylContact C-O 3.52Å; L48-Y78 WeakPolarHBondContact CA-O 3.36Å; R49-Y78 PolarHBondContact N-O 3.14Å; R49-Y78 PolarHBondContact O-N 3.34Å; P52-Y78 HydrophobicContact CB-CD1 4.32Å; P52-Y78 HydrophobicContact CG-CD1 3.76Å; P52-Y78 HydrophobicContact CG-CD2 4.3Å; P52-Y78 HydrophobicContact CG-CE1 3.64Å; P52-Y78 HydrophobicContact CG-CE2 4.2Å; P52-Y78 HydrophobicContact CG-CG 4.09Å
79L97.6Very high87.4Confident2 Ų258.2 Ų58.21%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-93.2121.2175.3-174.4153.2000109.9I6 Y7 S9 L15 V34 L41 Q46 L48 D81I6-L79 HydrophobicContact CG2-CB 3.66Å; I6-L79 HydrophobicContact CG2-CD1 4Å; Y7-L79 PolarHBondContact O-N 3.22Å; S9-L79 WeakPolarHBondContact CB-O 3.28Å; S9-L79 PolarHBondContact N-O 3.38Å; S9-L79 PolarHBondContact OG-O 3.02Å; L15-L79 HydrophobicContact CD1-CB 4.24Å; L15-L79 HydrophobicContact CD1-CD2 4.3Å; V34-L79 HydrophobicContact CG1-CD1 3.68Å; L41-L79 HydrophobicContact CD1-CD1 4.09Å; L41-L79 HydrophobicContact CD1-CD2 3.89Å; Q46-L79 HydrophobicContact CB-CD1 4.33Å; Q46-L79 HydrophobicContact CG-CD1 3.96Å; L48-L79 HydrophobicContact CD2-CB 3.99Å; L48-L79 HydrophobicContact CD2-CD1 4.16Å; L48-L79 HydrophobicContact CD2-CG 4.22Å; L79-D81 HydrophobicContact CD2-CB 4.46Å
80K96.3Very high88.8Confident75 Ų7560.5 Ų60.533%0.32634%0.336SS..EExtended strand (participates in β ladder)trans-101.1118164-176.6-177.7-179.9-179.80109.3S9 S47 R49 L82S9-K80 WeakPolarHBondContact OG-CA 3.34Å; S9-K80 WeakPolarHBondContact OG-CB 3.35Å; S47-K80 WeakPolarHBondContact CB-O 3.11Å; S47-K80 PolarHBondContact N-O 2.75Å; S47-K80 PolarHBondContact O-N 2.97Å; R49-K80 VanDerWaalsContact CZ-CD 3.49Å; K80-L82 HydrophobicContact CD-CD2 4.49Å; K80-L82 PolarHBondContact O-N 2.83Å
81D95.2Very high90.2Very high56 Ų5655.2 Ų55.230%0.29931%0.308SS..EExtended strand (participates in β ladder)trans-70.2120.2167.9-179.615.2000109.9L41 R45 L79 G83L41-D81 HydrophobicContact CD2-CB 4.1Å; R45-D81 IonicContact CZ-OD1 3.61Å; R45-D81 IonicContact CZ-OD2 3.81Å; R45-D81 IonicContact NE-OD1 2.74Å; R45-D81 PolarHBondContact NE-OD1 2.99Å; R45-D81 IonicContact NE-OD2 3.5Å; R45-D81 VanDerWaalsContact NH2-CG 3.35Å; R45-D81 IonicContact NH2-OD1 3.57Å; R45-D81 PolarHBondContact NH2-OD1 3.43Å; R45-D81 IonicContact NH2-OD2 3.55Å; R45-D81 PolarHBondContact NH2-OD2 2.95Å; L79-D81 HydrophobicContact CD2-CB 4.46Å; D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact OD1-N 2.87Å
82L93.7Very high91.9Very high68 Ų6852.5 Ų52.536%0.35628%0.279SS..  trans-81.4-5.9178.6-60.6177.8000112.7R45 K80 Q85R45-L82 WeakPolarHBondContact O-CB 3.22Å; R45-L82 WeakPolarHBondContact O-CG 3.43Å; R45-L82 PolarHBondContact O-N 3.35Å; K80-L82 HydrophobicContact CD-CD2 4.49Å; K80-L82 PolarHBondContact O-N 2.83Å; L82-Q85 PolarHBondContact O-NE2 3.22Å
83G94Very high93.4Very high17 Ų1751.8 Ų51.818%0.17526%0.259CS..  trans71.7-177.2-172.900000112.2R45 D81 Q85R45-G83 WeakPolarHBondContact CG-O 3.25Å; D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact OD1-N 2.87Å; G83-Q85 WeakPolarHBondContact O-CG 3.45Å; G83-Q85 PolarHBondContact O-N 2.89Å; G83-Q85 PolarHBondContact O-NE2 3.41Å
84P94.2Very high94.4Very high87 Ų8752 Ų5257%0.56526%0.26SS*.SBendtrans-50.6131.5-177-27.435.1000113F159P84-F159 HydrophobicContact CB-CB 3.99Å; P84-F159 WeakPolarHBondContact O-CB 3.34Å; P84-F159 PolarHBondContact O-N 2.94Å
85Q94.7Very high95Very high37 Ų3744 Ų4417%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-117146.3-175.1-67.4-55-65.200110.8A44 R45 L82 G83 T156 M157A44-Q85 HydrophobicContact CB-CB 4.2Å; A44-Q85 HydrophobicContact CB-CG 4.29Å; A44-Q85 WeakPolarHBondContact O-CG 3.36Å; R45-Q85 HydrophobicContact CG-CG 4.25Å; L82-Q85 PolarHBondContact O-NE2 3.22Å; G83-Q85 WeakPolarHBondContact O-CG 3.45Å; G83-Q85 PolarHBondContact O-N 2.89Å; G83-Q85 PolarHBondContact O-NE2 3.41Å; Q85-T156 HydrophobicContact CB-CG2 4Å; Q85-T156 PolarHBondContact OE1-OG1 3.35Å; Q85-M157 VanDerWaalsContact OE1-C 3.25Å; Q85-M157 PolarHBondContact OE1-O 3.45Å
86I94.4Very high95.3Very high24 Ų2443.8 Ų43.812%0.12323%0.228CC..EExtended strand (participates in β ladder)trans-128.1141.7173.5-175.6170.2000110.2T90 V91 L94 T156 M157 F159 L162I86-T90 HydrophobicContact CD1-CG2 3.91Å; I86-T90 HydrophobicContact CG1-CG2 4.25Å; I86-V91 HydrophobicContact CB-CG2 4.35Å; I86-V91 HydrophobicContact CD1-CG2 4.3Å; I86-V91 HydrophobicContact CG1-CG2 4.13Å; I86-V91 HydrophobicContact CG2-CG2 3.47Å; I86-V91 VanDerWaalsContact CG2-CG2 3.47Å; I86-L94 HydrophobicContact CD1-CD1 4.37Å; I86-T156 CarbonylContact O-C 3.42Å; I86-T156 WeakPolarHBondContact O-CA 3.49Å; I86-T156 VanDerWaalsContact O-CB 3.28Å; I86-T156 WeakPolarHBondContact O-CB 3.32Å; I86-M157 PolarHBondContact N-O 3.47Å; I86-M157 PolarHBondContact O-N 3.17Å; I86-F159 HydrophobicContact CB-CD2 4.2Å; I86-F159 HydrophobicContact CD1-CD2 4.41Å; I86-F159 HydrophobicContact CD1-CE2 4.48Å; I86-F159 HydrophobicContact CG2-CD2 4.3Å; I86-L162 HydrophobicContact CD1-CD2 3.86Å
87G93.4Very high95.6Very high27 Ų2743.2 Ų43.228%0.27823%0.227SC..EExtended strand (participates in β ladder)trans-65.5138.3-18000000112.9K89 T90 V91 A155G87-K89 VanDerWaalsContact C-N 3.28Å; G87-K89 PolarHBondContact O-N 3.1Å; G87-T90 WeakPolarHBondContact O-CB 3.44Å; G87-T90 PolarHBondContact O-N 2.88Å; G87-V91 WeakPolarHBondContact O-CG2 3.27Å; G87-V91 PolarHBondContact O-N 2.8Å; G87-A155 WeakPolarHBondContact CA-O 3.25Å
88W92.7Very high95.7Very high68 Ų6843.4 Ų43.426%0.25823%0.23SC..Hα-helixtrans-57-38.3-178.6-83.4101.3000114T90 V91 F92 F152 A155 T156 M157W88-T90 VanDerWaalsContact C-N 3.33Å; W88-T90 PolarHBondContact O-N 2.88Å; W88-V91 WeakPolarHBondContact O-CB 3.47Å; W88-V91 PolarHBondContact O-N 3.33Å; W88-F92 HydrophobicContact CE3-CD1 4.24Å; W88-F92 AromaticContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CZ 4.11Å; W88-F92 AromaticContact CZ3-CE1 3.82Å; W88-F92 HydrophobicContact CZ3-CE1 3.82Å; W88-F92 HydrophobicContact CZ3-CZ 4.37Å; W88-F92 PolarHBondContact O-N 3.23Å; W88-F152 HydrophobicContact CB-CB 4.47Å; W88-F152 HydrophobicContact CB-CD1 3.57Å; W88-F152 HydrophobicContact CB-CD2 4.47Å; W88-F152 HydrophobicContact CB-CE1 3.84Å; W88-F152 HydrophobicContact CB-CG 3.92Å; W88-F152 HydrophobicContact CB-CZ 4.4Å; W88-F152 HydrophobicContact CG-CD1 4.15Å; W88-A155 PolarHBondContact N-O 2.84Å; W88-A155 VanDerWaalsContact N-O 3.1Å; W88-T156 VanDerWaalsContact NE1-C 3.32Å; W88-T156 PolarHBondContact NE1-O 3.49Å; W88-M157 HydrophobicContact CD2-CB 4.41Å; W88-M157 HydrophobicContact CH2-CB 4.12Å; W88-M157 HydrophobicContact CH2-CG 4.06Å; W88-M157 HydrophobicContact CH2-SD 3.7Å; W88-M157 HydrophobicContact CZ2-CB 3.84Å; W88-M157 HydrophobicContact CZ2-CG 4.1Å; W88-M157 HydrophobicContact CZ2-SD 4.35Å; W88-M157 HydrophobicContact CZ3-SD 3.96Å
89K93.4Very high95.8Very high86 Ų8641.4 Ų41.437%0.37422%0.222SC..Hα-helixtrans-57.7-47175.3177172.2-77.7-162.30111G87 F92 I93 T146 M147 F152G87-K89 VanDerWaalsContact C-N 3.28Å; G87-K89 PolarHBondContact O-N 3.1Å; K89-F92 PolarHBondContact O-N 2.86Å; K89-I93 HydrophobicContact CG-CD1 3.91Å; K89-I93 VanDerWaalsContact O-CG1 3.28Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.09Å; K89-T146 WeakPolarHBondContact CE-O 3.38Å; K89-T146 HydrophobicContact CG-CG2 4.14Å; K89-M147 HydrophobicContact CD-SD 4.09Å; K89-M147 HydrophobicContact CG-SD 4.47Å; K89-M147 PolarHBondContact NZ-O 3.38Å; K89-F152 HydrophobicContact CB-CE2 4.14Å
90T95.2Very high95.8Very high70 Ų7043.2 Ų43.243%0.42923%0.231SC..Hα-helixtrans-64.9-41.4178.2-50.20000111.7I86 G87 W88 F92 I93 L94I86-T90 HydrophobicContact CD1-CG2 3.91Å; I86-T90 HydrophobicContact CG1-CG2 4.25Å; G87-T90 WeakPolarHBondContact O-CB 3.44Å; G87-T90 PolarHBondContact O-N 2.88Å; W88-T90 VanDerWaalsContact C-N 3.33Å; W88-T90 PolarHBondContact O-N 2.88Å; T90-F92 PolarHBondContact O-N 2.63Å; T90-I93 PolarHBondContact O-N 2.84Å; T90-L94 HydrophobicContact CG2-CD1 4.05Å; T90-L94 HydrophobicContact CG2-CG 4.43Å; T90-L94 WeakPolarHBondContact O-CG 3.12Å; T90-L94 PolarHBondContact O-N 3.42Å
91V95.8Very high95.9Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-55.9-52175.3175.30000110.6I86 G87 W88 I93 L94 E95 M157 L162I86-V91 HydrophobicContact CB-CG2 4.35Å; I86-V91 HydrophobicContact CD1-CG2 4.3Å; I86-V91 HydrophobicContact CG1-CG2 4.13Å; I86-V91 HydrophobicContact CG2-CG2 3.47Å; I86-V91 VanDerWaalsContact CG2-CG2 3.47Å; G87-V91 WeakPolarHBondContact O-CG2 3.27Å; G87-V91 PolarHBondContact O-N 2.8Å; W88-V91 WeakPolarHBondContact O-CB 3.47Å; W88-V91 PolarHBondContact O-N 3.33Å; V91-I93 PolarHBondContact O-N 3.02Å; V91-L94 PolarHBondContact O-N 3.34Å; V91-E95 WeakPolarHBondContact O-CB 3.27Å; V91-E95 PolarHBondContact O-N 3.46Å; V91-M157 HydrophobicContact CG1-CE 3.76Å; V91-M157 HydrophobicContact CG1-SD 4.48Å; V91-M157 HydrophobicContact CG2-CB 4.44Å; V91-M157 HydrophobicContact CG2-CE 3.97Å; V91-L162 HydrophobicContact CB-CD1 4.44Å; V91-L162 HydrophobicContact CG1-CD1 4.2Å; V91-L162 HydrophobicContact CG2-CD1 4.34Å
92F95.8Very high96Very high36 Ų3642 Ų4216%0.15823%0.231CC..Hα-helixtrans-65-37.8-178.4-786.3000112.6W88 K89 T90 E95 Y96 T146 F152W88-F92 HydrophobicContact CE3-CD1 4.24Å; W88-F92 AromaticContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CE1 3.68Å; W88-F92 HydrophobicContact CE3-CZ 4.11Å; W88-F92 AromaticContact CZ3-CE1 3.82Å; W88-F92 HydrophobicContact CZ3-CE1 3.82Å; W88-F92 HydrophobicContact CZ3-CZ 4.37Å; W88-F92 PolarHBondContact O-N 3.23Å; K89-F92 PolarHBondContact O-N 2.86Å; T90-F92 PolarHBondContact O-N 2.63Å; F92-E95 WeakPolarHBondContact CD1-OE1 3.48Å; F92-E95 WeakPolarHBondContact CE1-OE1 3.5Å; F92-E95 PolarHBondContact O-N 3.13Å; F92-Y96 HydrophobicContact CB-CD2 4.14Å; F92-Y96 HydrophobicContact CB-CE2 3.73Å; F92-Y96 HydrophobicContact CD2-CE2 4.14Å; F92-Y96 AromaticContact CG-CE2 3.94Å; F92-Y96 HydrophobicContact CG-CE2 3.94Å; F92-Y96 WeakPolarHBondContact O-CB 3.47Å; F92-Y96 WeakPolarHBondContact O-CD2 3.21Å; F92-Y96 VanDerWaalsContact O-CG 3.23Å; F92-Y96 PolarHBondContact O-N 3.44Å; F92-T146 HydrophobicContact CB-CG2 3.58Å; F92-T146 HydrophobicContact CD2-CG2 4.4Å; F92-F152 AromaticContact CD2-CE1 3.69Å; F92-F152 HydrophobicContact CD2-CE1 3.69Å; F92-F152 AromaticContact CD2-CZ 3.57Å; F92-F152 HydrophobicContact CD2-CZ 3.57Å; F92-F152 AromaticContact CE2-CE1 3.45Å; F92-F152 HydrophobicContact CE2-CE1 3.45Å; F92-F152 VanDerWaalsContact CE2-CE1 3.45Å; F92-F152 AromaticContact CE2-CZ 3.82Å; F92-F152 HydrophobicContact CE2-CZ 3.82Å; F92-F152 HydrophobicContact CG-CZ 4.43Å; F92-F152 HydrophobicContact CZ-CE1 4.18Å
93I97.3Very high96.2Very high51 Ų5138.8 Ų38.826%0.26221%0.214SC..Hα-helixtrans-60.3-50.6173.8-68.9165000110.5K89 T90 V91 E95 Y96 L97 L143 T146 M147K89-I93 HydrophobicContact CG-CD1 3.91Å; K89-I93 VanDerWaalsContact O-CG1 3.28Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.09Å; T90-I93 PolarHBondContact O-N 2.84Å; V91-I93 PolarHBondContact O-N 3.02Å; I93-E95 PolarHBondContact O-N 3.34Å; I93-Y96 PolarHBondContact O-N 2.88Å; I93-L97 WeakPolarHBondContact O-CB 3.43Å; I93-L97 PolarHBondContact O-N 3.5Å; I93-L143 HydrophobicContact CB-CD2 4.43Å; I93-L143 HydrophobicContact CG1-CD2 4.46Å; I93-L143 HydrophobicContact CG2-CD2 4.4Å; I93-T146 HydrophobicContact CG1-CG2 4.06Å; I93-M147 HydrophobicContact CD1-SD 3.7Å; I93-M147 HydrophobicContact CG1-SD 4.4Å
94L97.8Very high96.3Very high65 Ų6540 Ų4034%0.3422%0.219SC..Hα-helixtrans-66.2-37.7-178.1-67.7174.3000112.4I86 T90 V91 L162 W170I86-L94 HydrophobicContact CD1-CD1 4.37Å; T90-L94 HydrophobicContact CG2-CD1 4.05Å; T90-L94 HydrophobicContact CG2-CG 4.43Å; T90-L94 WeakPolarHBondContact O-CG 3.12Å; T90-L94 PolarHBondContact O-N 3.42Å; V91-L94 PolarHBondContact O-N 3.34Å; L94-L162 HydrophobicContact CB-CD1 4.26Å; L94-L162 HydrophobicContact CD1-CD1 4.12Å; L94-L162 HydrophobicContact CD1-CD2 4.02Å; L94-W170 WeakPolarHBondContact O-CZ2 3.31Å; L94-W170 PolarHBondContact O-NE1 3.32Å; L94-W170 VanDerWaalsContact O-NE1 3.09Å
95E97.1Very high96.3Very high4 Ų439.7 Ų39.72%0.01921%0.212CC..Hα-helixtrans-70.9-35.8-179.690-171-173.600112.1V91 F92 I93 P99 N165 Y169V91-E95 WeakPolarHBondContact O-CB 3.27Å; V91-E95 PolarHBondContact O-N 3.46Å; F92-E95 WeakPolarHBondContact CD1-OE1 3.48Å; F92-E95 WeakPolarHBondContact CE1-OE1 3.5Å; F92-E95 PolarHBondContact O-N 3.13Å; I93-E95 PolarHBondContact O-N 3.34Å; E95-P99 WeakPolarHBondContact O-CD 3.39Å; E95-N165 PolarHBondContact OE2-ND2 3.49Å; E95-N165 VanDerWaalsContact OE2-ND2 3.11Å; E95-Y169 HydrophobicContact CB-CD2 3.9Å; E95-Y169 HydrophobicContact CB-CE2 4.37Å; E95-Y169 HydrophobicContact CG-CD2 3.95Å; E95-Y169 HydrophobicContact CG-CE2 3.99Å
96Y98.3Very high96.2Very high14 Ų1439.4 Ų39.46%0.05521%0.21CC..Hα-helixtrans-89.8-26.5-178.9-58-34.8000114.5F92 I93 G98 P99 L100 Y139 R142 Y169F92-Y96 HydrophobicContact CB-CD2 4.14Å; F92-Y96 HydrophobicContact CB-CE2 3.73Å; F92-Y96 HydrophobicContact CD2-CE2 4.14Å; F92-Y96 AromaticContact CG-CE2 3.94Å; F92-Y96 HydrophobicContact CG-CE2 3.94Å; F92-Y96 WeakPolarHBondContact O-CB 3.47Å; F92-Y96 WeakPolarHBondContact O-CD2 3.21Å; F92-Y96 VanDerWaalsContact O-CG 3.23Å; F92-Y96 PolarHBondContact O-N 3.44Å; I93-Y96 PolarHBondContact O-N 2.88Å; Y96-G98 VanDerWaalsContact C-N 3.3Å; Y96-G98 PolarHBondContact O-N 3.49Å; Y96-P99 WeakPolarHBondContact O-CD 3.43Å; Y96-L100 PolarHBondContact O-N 2.85Å; Y96-Y139 AromaticContact CD1-CD1 3.96Å; Y96-Y139 HydrophobicContact CD1-CD1 3.96Å; Y96-Y139 HydrophobicContact CD1-CE1 4Å; Y96-Y139 HydrophobicContact CG-CD1 4.33Å; Y96-R142 HydrophobicContact CD1-CB 4.3Å; Y96-R142 HydrophobicContact CD2-CB 3.6Å; Y96-R142 HydrophobicContact CD2-CG 4.44Å; Y96-R142 HydrophobicContact CE2-CB 3.85Å; Y96-R142 HydrophobicContact CE2-CG 4.3Å; Y96-R142 HydrophobicContact CG-CB 3.85Å; Y96-Y169 HydrophobicContact CE1-CE1 4.39Å; Y96-Y169 HydrophobicContact CE1-CE2 4.46Å
97L98.1Very high96.2Very high78 Ų7839.5 Ų39.541%0.40821%0.209SC..Hα-helixtrans-64.7-36.9176.6-174.764.3000111.6I93 L100 V101 L143I93-L97 WeakPolarHBondContact O-CB 3.43Å; I93-L97 PolarHBondContact O-N 3.5Å; L97-L100 PolarHBondContact O-N 2.68Å; L97-V101 HydrophobicContact CD1-CG2 4.22Å; L97-V101 HydrophobicContact CG-CG2 4.42Å; L97-V101 WeakPolarHBondContact O-CG2 3.2Å; L97-V101 PolarHBondContact O-N 3.46Å; L97-L143 HydrophobicContact CD1-CD1 4.43Å
98G98.1Very high96.1Very high5 Ų540 Ų405%0.05221%0.207CC..Hα-helixtrans-56.5-60.8176.900000112.6Y96 L100 V101 I102Y96-G98 VanDerWaalsContact C-N 3.3Å; Y96-G98 PolarHBondContact O-N 3.49Å; G98-L100 PolarHBondContact O-N 2.92Å; G98-V101 PolarHBondContact O-N 2.94Å; G98-V101 VanDerWaalsContact O-N 3.08Å; G98-I102 VanDerWaalsContact O-CB 3.25Å; G98-I102 WeakPolarHBondContact O-CB 3.4Å; G98-I102 WeakPolarHBondContact O-CG1 3.19Å; G98-I102 PolarHBondContact O-N 3.47Å
99P98.4Very high96Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-56.3-35177-28.535.6000114.8E95 Y96 V101 Y103 W135 Y139 A173E95-P99 WeakPolarHBondContact O-CD 3.39Å; Y96-P99 WeakPolarHBondContact O-CD 3.43Å; P99-V101 VanDerWaalsContact C-N 3.33Å; P99-Y103 WeakPolarHBondContact O-CB 2.97Å; P99-Y103 PolarHBondContact O-N 3.29Å; P99-W135 HydrophobicContact CB-CZ2 4.08Å; P99-W135 PolarHBondContact O-NE1 2.81Å; P99-Y139 HydrophobicContact CB-CD1 3.74Å; P99-Y139 HydrophobicContact CB-CD2 3.61Å; P99-Y139 HydrophobicContact CB-CE1 3.54Å; P99-Y139 HydrophobicContact CB-CE2 3.43Å; P99-Y139 VanDerWaalsContact CB-CE2 3.43Å; P99-Y139 HydrophobicContact CB-CG 3.76Å; P99-Y139 HydrophobicContact CG-CD1 4.08Å; P99-Y139 HydrophobicContact CG-CE1 3.6Å; P99-Y139 HydrophobicContact CG-CE2 4.3Å; P99-A173 HydrophobicContact CB-CB 3.88Å; P99-A173 HydrophobicContact CG-CB 4.19Å
100L98.2Very high95.7Very high39 Ų3935.6 Ų35.620%0.20419%0.19CC..Hα-helixtrans-65.2-35.8177.3-175.962.7000112.2Y96 L97 G98 P104 T136 A140 L143Y96-L100 PolarHBondContact O-N 2.85Å; L97-L100 PolarHBondContact O-N 2.68Å; G98-L100 PolarHBondContact O-N 2.92Å; L100-P104 WeakPolarHBondContact O-CD 3.47Å; L100-P104 VanDerWaalsContact O-CG 3.22Å; L100-P104 WeakPolarHBondContact O-CG 3.2Å; L100-T136 HydrophobicContact CD1-CG2 3.8Å; L100-A140 HydrophobicContact CD1-CB 4.48Å; L100-L143 HydrophobicContact CD2-CD1 3.48Å; L100-L143 VanDerWaalsContact CD2-CD1 3.48Å
101V98.1Very high95.3Very high75 Ų7534.2 Ų34.246%0.45518%0.182SC..Hα-helixtrans-88.1-45.3179.1174.30000111.7L97 G98 P99 P104 L105L97-V101 HydrophobicContact CD1-CG2 4.22Å; L97-V101 HydrophobicContact CG-CG2 4.42Å; L97-V101 WeakPolarHBondContact O-CG2 3.2Å; L97-V101 PolarHBondContact O-N 3.46Å; G98-V101 PolarHBondContact O-N 2.94Å; G98-V101 VanDerWaalsContact O-N 3.08Å; P99-V101 VanDerWaalsContact C-N 3.33Å; V101-P104 WeakPolarHBondContact O-CD 3.29Å; V101-L105 HydrophobicContact CG1-CD1 4.11Å; V101-L105 WeakPolarHBondContact O-CG 3.28Å; V101-L105 PolarHBondContact O-N 3.09Å
102I97.8Very high94.9Very high31 Ų3143 Ų4316%0.15922%0.215CC..Hα-helixtrans-63.3-47.8-173-70.2168000110.9G98 L105 F106 W170 A173 A174G98-I102 VanDerWaalsContact O-CB 3.25Å; G98-I102 WeakPolarHBondContact O-CB 3.4Å; G98-I102 WeakPolarHBondContact O-CG1 3.19Å; G98-I102 PolarHBondContact O-N 3.47Å; I102-L105 WeakPolarHBondContact O-CB 3.36Å; I102-L105 PolarHBondContact O-N 2.87Å; I102-L105 VanDerWaalsContact O-N 3.14Å; I102-F106 HydrophobicContact CG2-CD2 4.12Å; I102-F106 HydrophobicContact CG2-CE2 3.88Å; I102-F106 WeakPolarHBondContact O-CD2 3.2Å; I102-F106 PolarHBondContact O-N 3.35Å; I102-W170 HydrophobicContact CD1-CB 3.61Å; I102-W170 HydrophobicContact CD1-CD2 4.03Å; I102-W170 HydrophobicContact CD1-CE3 4.07Å; I102-W170 HydrophobicContact CD1-CG 3.86Å; I102-A173 HydrophobicContact CB-CB 4.18Å; I102-A173 HydrophobicContact CG2-CB 3.98Å; I102-A174 HydrophobicContact CG2-CB 3.92Å
103Y97.8Very high94.6Very high0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-61-49-174.9-173-63.3000112.5P99 L105 F106 F107 A131 L132 W135 V176P99-Y103 WeakPolarHBondContact O-CB 2.97Å; P99-Y103 PolarHBondContact O-N 3.29Å; Y103-L105 VanDerWaalsContact C-N 3.26Å; Y103-L105 PolarHBondContact O-N 2.89Å; Y103-F106 PolarHBondContact O-N 3.42Å; Y103-F106 VanDerWaalsContact O-N 3.14Å; Y103-F107 PolarHBondContact O-N 2.96Å; Y103-A131 WeakPolarHBondContact OH-CB 3.49Å; Y103-L132 HydrophobicContact CD1-CD1 3.57Å; Y103-L132 HydrophobicContact CE1-CB 3.97Å; Y103-L132 HydrophobicContact CE1-CD1 3.8Å; Y103-W135 VanDerWaalsContact CB-CD1 3.42Å; Y103-W135 VanDerWaalsContact CB-NE1 3.31Å; Y103-W135 HydrophobicContact CD1-CG 4.37Å; Y103-W135 HydrophobicContact CD2-CB 4.08Å; Y103-W135 AromaticContact CD2-CD1 3.67Å; Y103-W135 AromaticContact CD2-CD2 3.22Å; Y103-W135 HydrophobicContact CD2-CD2 3.22Å; Y103-W135 AromaticContact CD2-CE2 3.47Å; Y103-W135 VanDerWaalsContact CD2-CE2 3.47Å; Y103-W135 AromaticContact CD2-CE3 3.69Å; Y103-W135 HydrophobicContact CD2-CE3 3.69Å; Y103-W135 AromaticContact CD2-CG 3.4Å; Y103-W135 HydrophobicContact CD2-CG 3.4Å; Y103-W135 HydrophobicContact CD2-CZ2 4.15Å; Y103-W135 HydrophobicContact CD2-CZ3 4.31Å; Y103-W135 AromaticContact CD2-NE1 3.69Å; Y103-W135 HydrophobicContact CE2-CB 4.15Å; Y103-W135 AromaticContact CE2-CD2 3.71Å; Y103-W135 HydrophobicContact CE2-CD2 3.71Å; Y103-W135 AromaticContact CE2-CE3 3.75Å; Y103-W135 HydrophobicContact CE2-CE3 3.75Å; Y103-W135 AromaticContact CE2-CG 3.9Å; Y103-W135 HydrophobicContact CE2-CG 3.9Å; Y103-W135 HydrophobicContact CE2-CZ3 4.44Å; Y103-W135 HydrophobicContact CG-CB 4.3Å; Y103-W135 AromaticContact CG-CD1 3.57Å; Y103-W135 AromaticContact CG-CD2 3.98Å; Y103-W135 HydrophobicContact CG-CD2 3.98Å; Y103-W135 AromaticContact CG-CG 3.7Å; Y103-W135 HydrophobicContact CG-CG 3.7Å; Y103-W135 AromaticContact CG-NE1 3.78Å; Y103-V176 HydrophobicContact CE2-CG1 4.35Å
104P95.2Very high94.2Very high43 Ų4342.7 Ų42.728%0.27921%0.214SC..Hα-helixtrans-56.8-33174.4-27.534.5000114.7L100 V101 F106 F107 V108 L132L100-P104 WeakPolarHBondContact O-CD 3.47Å; L100-P104 VanDerWaalsContact O-CG 3.22Å; L100-P104 WeakPolarHBondContact O-CG 3.2Å; V101-P104 WeakPolarHBondContact O-CD 3.29Å; P104-F106 VanDerWaalsContact C-N 3.28Å; P104-F106 PolarHBondContact O-N 3.5Å; P104-F107 WeakPolarHBondContact O-CB 3.47Å; P104-F107 PolarHBondContact O-N 3.36Å; P104-V108 PolarHBondContact O-N 3.43Å; P104-L132 HydrophobicContact CB-CD1 4.36Å; P104-L132 HydrophobicContact CG-CD1 4.04Å
105L93.9Very high93.7Very high80 Ų8040.7 Ų40.742%0.41921%0.209SC..Hα-helixtrans-61.3-37.5177.1-67.8172.6000112V101 I102 Y103 F107 F110V101-L105 HydrophobicContact CG1-CD1 4.11Å; V101-L105 WeakPolarHBondContact O-CG 3.28Å; V101-L105 PolarHBondContact O-N 3.09Å; I102-L105 WeakPolarHBondContact O-CB 3.36Å; I102-L105 PolarHBondContact O-N 2.87Å; I102-L105 VanDerWaalsContact O-N 3.14Å; Y103-L105 VanDerWaalsContact C-N 3.26Å; Y103-L105 PolarHBondContact O-N 2.89Å; L105-F107 VanDerWaalsContact C-N 3.34Å; L105-F110 HydrophobicContact CB-CE2 4.08Å; L105-F110 HydrophobicContact CD2-CE2 3.84Å; L105-F110 HydrophobicContact CD2-CZ 4.15Å; L105-F110 WeakPolarHBondContact O-CD2 3.12Å; L105-F110 WeakPolarHBondContact O-CE2 3.18Å
106F94.4Very high93.3Very high31 Ų3145.1 Ų45.114%0.13624%0.241CC..Hα-helixtrans-74-24.8175.2-77.3-92.4000112.9I102 Y103 P104 R109 L113 Y114 A174 S177 F178 N181I102-F106 HydrophobicContact CG2-CD2 4.12Å; I102-F106 HydrophobicContact CG2-CE2 3.88Å; I102-F106 WeakPolarHBondContact O-CD2 3.2Å; I102-F106 PolarHBondContact O-N 3.35Å; Y103-F106 PolarHBondContact O-N 3.42Å; Y103-F106 VanDerWaalsContact O-N 3.14Å; P104-F106 VanDerWaalsContact C-N 3.28Å; P104-F106 PolarHBondContact O-N 3.5Å; F106-R109 PolarHBondContact O-N 2.83Å; F106-L113 HydrophobicContact CD1-CD1 4Å; F106-L113 HydrophobicContact CE1-CD1 3.81Å; F106-L113 HydrophobicContact CE1-CD2 4.35Å; F106-L113 HydrophobicContact CZ-CD1 4.3Å; F106-Y114 HydrophobicContact CD1-CE2 4.39Å; F106-Y114 WeakPolarHBondContact CD1-OH 3.27Å; F106-Y114 WeakPolarHBondContact O-CE2 3.36Å; F106-Y114 PolarHBondContact O-OH 2.93Å; F106-Y114 VanDerWaalsContact O-OH 3.12Å; F106-A174 HydrophobicContact CE2-CB 3.75Å; F106-A174 HydrophobicContact CZ-CB 3.9Å; F106-S177 WeakPolarHBondContact CB-OG 3.15Å; F106-S177 WeakPolarHBondContact CD2-OG 3.5Å; F106-S177 VanDerWaalsContact CG-OG 3.24Å; F106-S177 WeakPolarHBondContact CG-OG 3.47Å; F106-F178 HydrophobicContact CD1-CB 3.79Å; F106-F178 HydrophobicContact CD1-CD2 4.03Å; F106-F178 HydrophobicContact CD1-CG 4.43Å; F106-F178 HydrophobicContact CE1-CB 3.79Å; F106-F178 AromaticContact CE1-CD2 3.85Å; F106-F178 HydrophobicContact CE1-CD2 3.85Å; F106-F178 HydrophobicContact CE1-CG 4.29Å; F106-N181 WeakPolarHBondContact O-CB 3.46Å
107F93.7Very high92.8Very high26 Ų2649.9 Ų49.911%0.11426%0.264CS..Hα-helixtrans-69.1-32.5175.5-177.3-91.2000112.8Y103 P104 L105 R109 Y122 P123 V128 R129 L132 N181Y103-F107 PolarHBondContact O-N 2.96Å; P104-F107 WeakPolarHBondContact O-CB 3.47Å; P104-F107 PolarHBondContact O-N 3.36Å; L105-F107 VanDerWaalsContact C-N 3.34Å; F107-R109 PolarHBondContact O-N 3.14Å; F107-Y122 HydrophobicContact CD1-CD1 4.09Å; F107-Y122 HydrophobicContact CD1-CE1 4.35Å; F107-Y122 AromaticContact CE1-CD1 3.54Å; F107-Y122 HydrophobicContact CE1-CD1 3.54Å; F107-Y122 HydrophobicContact CE1-CE1 4.04Å; F107-Y122 HydrophobicContact CZ-CD1 4.33Å; F107-P123 HydrophobicContact CD2-CG 4.01Å; F107-P123 HydrophobicContact CE2-CB 4.35Å; F107-P123 HydrophobicContact CE2-CG 3.87Å; F107-P123 HydrophobicContact CZ-CG 4.46Å; F107-V128 HydrophobicContact CD2-CG1 4.23Å; F107-V128 HydrophobicContact CE2-CG1 4.14Å; F107-R129 HydrophobicContact CE2-CG 4.45Å; F107-R129 HydrophobicContact CZ-CG 4.42Å; F107-L132 HydrophobicContact CB-CD1 4.48Å; F107-L132 HydrophobicContact CB-CD2 4.45Å; F107-L132 HydrophobicContact CD1-CD2 3.88Å; F107-L132 HydrophobicContact CD2-CB 4.17Å; F107-L132 HydrophobicContact CD2-CD2 3.77Å; F107-L132 HydrophobicContact CD2-CG 4.44Å; F107-L132 HydrophobicContact CE1-CD2 3.97Å; F107-L132 HydrophobicContact CE2-CB 4.38Å; F107-L132 HydrophobicContact CE2-CD2 3.89Å; F107-L132 HydrophobicContact CG-CD2 3.78Å; F107-L132 HydrophobicContact CZ-CD2 4Å; F107-N181 WeakPolarHBondContact CD2-OD1 3.41Å
108V92Very high92.3Very high39 Ų3949.1 Ų49.124%0.23626%0.256CS..THydrogen-bonded Turntrans-64.7-22.4176.2175.20000112.4P104 F110 Y120P104-V108 PolarHBondContact O-N 3.43Å; V108-F110 HydrophobicContact CB-CE2 4.32Å; V108-F110 HydrophobicContact CB-CZ 4.31Å; V108-F110 HydrophobicContact CG1-CD1 4.29Å; V108-F110 HydrophobicContact CG1-CE1 3.96Å; V108-F110 HydrophobicContact CG1-CE2 4.45Å; V108-F110 HydrophobicContact CG1-CZ 4.05Å; V108-Y120 HydrophobicContact CG1-CD1 4.09Å; V108-Y120 HydrophobicContact CG1-CE1 4.19Å
109R89.7Confident91.6Very high21 Ų2149.9 Ų49.98%0.07926%0.261CS..THydrogen-bonded Turntrans5568.2-174.4-63.9-178.3176.6172.9-12.4113.2F106 F107 Y114 A119 Y120 Q121 N181 H182F106-R109 PolarHBondContact O-N 2.83Å; F107-R109 PolarHBondContact O-N 3.14Å; R109-Y114 VanDerWaalsContact CA-CD2 3.46Å; R109-Y114 HydrophobicContact CB-CD2 3.73Å; R109-Y114 HydrophobicContact CB-CE2 4.08Å; R109-Y114 HydrophobicContact CB-CG 4.41Å; R109-Y114 HydrophobicContact CG-CD2 3.93Å; R109-Y114 HydrophobicContact CG-CE2 3.92Å; R109-Y114 HydrophobicContact CG-CG 4.44Å; R109-A119 WeakPolarHBondContact O-CA 3.31Å; R109-Y120 PolarHBondContact O-N 2.95Å; R109-Q121 VanDerWaalsContact CD-O 3.29Å; R109-Q121 WeakPolarHBondContact CD-O 3.23Å; R109-Q121 PolarHBondContact NH1-O 3.13Å; R109-N181 PolarHBondContact NE-O 3.19Å; R109-N181 PolarHBondContact NH2-O 2.9Å; R109-H182 PolarHBondContact NH2-O 3.37Å
110F87.6Confident90.6Very high40 Ų4056.2 Ų56.218%0.17529%0.286CS..  trans-59.6141.7175-68.9-68.5000112.2L105 V108 W112 L113 Y114L105-F110 HydrophobicContact CB-CE2 4.08Å; L105-F110 HydrophobicContact CD2-CE2 3.84Å; L105-F110 HydrophobicContact CD2-CZ 4.15Å; L105-F110 WeakPolarHBondContact O-CD2 3.12Å; L105-F110 WeakPolarHBondContact O-CE2 3.18Å; V108-F110 HydrophobicContact CB-CE2 4.32Å; V108-F110 HydrophobicContact CB-CZ 4.31Å; V108-F110 HydrophobicContact CG1-CD1 4.29Å; V108-F110 HydrophobicContact CG1-CE1 3.96Å; V108-F110 HydrophobicContact CG1-CE2 4.45Å; V108-F110 HydrophobicContact CG1-CZ 4.05Å; F110-W112 HydrophobicContact CB-CD2 3.77Å; F110-W112 HydrophobicContact CB-CE3 3.87Å; F110-W112 HydrophobicContact CB-CH2 3.66Å; F110-W112 HydrophobicContact CB-CZ2 3.54Å; F110-W112 HydrophobicContact CB-CZ3 3.82Å; F110-W112 AromaticContact CD1-CH2 3.25Å; F110-W112 HydrophobicContact CD1-CH2 3.25Å; F110-W112 AromaticContact CD1-CZ2 3.87Å; F110-W112 HydrophobicContact CD1-CZ2 3.87Å; F110-W112 AromaticContact CD1-CZ3 3.64Å; F110-W112 HydrophobicContact CD1-CZ3 3.64Å; F110-W112 AromaticContact CD2-CH2 3.95Å; F110-W112 HydrophobicContact CD2-CH2 3.95Å; F110-W112 AromaticContact CD2-CZ2 3.68Å; F110-W112 HydrophobicContact CD2-CZ2 3.68Å; F110-W112 AromaticContact CE1-CH2 3.81Å; F110-W112 HydrophobicContact CE1-CH2 3.81Å; F110-W112 HydrophobicContact CE1-CZ2 4.49Å; F110-W112 HydrophobicContact CE1-CZ3 4.44Å; F110-W112 HydrophobicContact CE2-CH2 4.41Å; F110-W112 HydrophobicContact CE2-CZ2 4.33Å; F110-W112 HydrophobicContact CG-CE3 4.43Å; F110-W112 AromaticContact CG-CH2 3.33Å; F110-W112 HydrophobicContact CG-CH2 3.33Å; F110-W112 AromaticContact CG-CZ2 3.41Å; F110-W112 HydrophobicContact CG-CZ2 3.41Å; F110-W112 VanDerWaalsContact CG-CZ2 3.41Å; F110-W112 AromaticContact CG-CZ3 3.88Å; F110-W112 HydrophobicContact CG-CZ3 3.88Å; F110-W112 HydrophobicContact CZ-CH2 4.35Å; F110-W112 PolarHBondContact O-N 3.02Å; F110-L113 HydrophobicContact CB-CD1 4.47Å; F110-L113 PolarHBondContact O-N 3.5Å; F110-Y114 PolarHBondContact O-N 3.19Å
111P86.8Confident89.7Confident41 Ų4159 Ų5927%0.26630%0.298SS..Hα-helixtrans-59.1-34.2-174.620.7-32000113L113 G115 A119P111-L113 VanDerWaalsContact C-N 3.27Å; P111-L113 PolarHBondContact O-N 2.82Å; P111-G115 CarbonylContact O-C 3.52Å; P111-G115 VanDerWaalsContact O-CA 3.25Å; P111-G115 WeakPolarHBondContact O-CA 3.34Å; P111-G115 PolarHBondContact O-N 3.25Å; P111-A119 HydrophobicContact CB-CB 3.84Å; P111-A119 HydrophobicContact CG-CB 4.41Å
112W87.1Confident88.7Confident183 Ų18362.1 Ų62.169%0.69330%0.303SS*.Hα-helixtrans-73.4-15.2179.86781.8000114F110F110-W112 HydrophobicContact CB-CD2 3.77Å; F110-W112 HydrophobicContact CB-CE3 3.87Å; F110-W112 HydrophobicContact CB-CH2 3.66Å; F110-W112 HydrophobicContact CB-CZ2 3.54Å; F110-W112 HydrophobicContact CB-CZ3 3.82Å; F110-W112 AromaticContact CD1-CH2 3.25Å; F110-W112 HydrophobicContact CD1-CH2 3.25Å; F110-W112 AromaticContact CD1-CZ2 3.87Å; F110-W112 HydrophobicContact CD1-CZ2 3.87Å; F110-W112 AromaticContact CD1-CZ3 3.64Å; F110-W112 HydrophobicContact CD1-CZ3 3.64Å; F110-W112 AromaticContact CD2-CH2 3.95Å; F110-W112 HydrophobicContact CD2-CH2 3.95Å; F110-W112 AromaticContact CD2-CZ2 3.68Å; F110-W112 HydrophobicContact CD2-CZ2 3.68Å; F110-W112 AromaticContact CE1-CH2 3.81Å; F110-W112 HydrophobicContact CE1-CH2 3.81Å; F110-W112 HydrophobicContact CE1-CZ2 4.49Å; F110-W112 HydrophobicContact CE1-CZ3 4.44Å; F110-W112 HydrophobicContact CE2-CH2 4.41Å; F110-W112 HydrophobicContact CE2-CZ2 4.33Å; F110-W112 HydrophobicContact CG-CE3 4.43Å; F110-W112 AromaticContact CG-CH2 3.33Å; F110-W112 HydrophobicContact CG-CH2 3.33Å; F110-W112 AromaticContact CG-CZ2 3.41Å; F110-W112 HydrophobicContact CG-CZ2 3.41Å; F110-W112 VanDerWaalsContact CG-CZ2 3.41Å; F110-W112 AromaticContact CG-CZ3 3.88Å; F110-W112 HydrophobicContact CG-CZ3 3.88Å; F110-W112 HydrophobicContact CZ-CH2 4.35Å; F110-W112 PolarHBondContact O-N 3.02Å
113L89.1Confident87.9Confident65 Ų6560.7 Ų60.734%0.3430%0.295SS..Hα-helixtrans-96.4-39.9178.4-71.9173.4000112.7F106 F110 P111F106-L113 HydrophobicContact CD1-CD1 4Å; F106-L113 HydrophobicContact CE1-CD1 3.81Å; F106-L113 HydrophobicContact CE1-CD2 4.35Å; F106-L113 HydrophobicContact CZ-CD1 4.3Å; F110-L113 HydrophobicContact CB-CD1 4.47Å; F110-L113 PolarHBondContact O-N 3.5Å; P111-L113 VanDerWaalsContact C-N 3.27Å; P111-L113 PolarHBondContact O-N 2.82Å
114Y88.7Confident87.1Confident16 Ų1669.5 Ų69.56%0.06333%0.334CS..Hα-helixtrans-115.7-9.2-171.4-61.8-79.1000114.1F106 R109 F110 Y118 F178 H182 P183F106-Y114 HydrophobicContact CD1-CE2 4.39Å; F106-Y114 WeakPolarHBondContact CD1-OH 3.27Å; F106-Y114 WeakPolarHBondContact O-CE2 3.36Å; F106-Y114 PolarHBondContact O-OH 2.93Å; F106-Y114 VanDerWaalsContact O-OH 3.12Å; R109-Y114 VanDerWaalsContact CA-CD2 3.46Å; R109-Y114 HydrophobicContact CB-CD2 3.73Å; R109-Y114 HydrophobicContact CB-CE2 4.08Å; R109-Y114 HydrophobicContact CB-CG 4.41Å; R109-Y114 HydrophobicContact CG-CD2 3.93Å; R109-Y114 HydrophobicContact CG-CE2 3.92Å; R109-Y114 HydrophobicContact CG-CG 4.44Å; F110-Y114 PolarHBondContact O-N 3.19Å; Y114-Y118 WeakPolarHBondContact O-CD2 3.49Å; Y114-F178 HydrophobicContact CD1-CE2 4.22Å; Y114-F178 AromaticContact CE1-CD2 3.81Å; Y114-F178 HydrophobicContact CE1-CD2 3.81Å; Y114-F178 AromaticContact CE1-CE2 3.85Å; Y114-F178 HydrophobicContact CE1-CE2 3.85Å; Y114-F178 PolarHBondContact OH-O 2.91Å; Y114-H182 AromaticContact CD1-CD2 3.68Å; Y114-H182 HydrophobicContact CE1-CB 4.31Å; Y114-H182 AromaticContact CE1-CD2 3.74Å; Y114-P183 VanDerWaalsContact CD1-CD 3.45Å; Y114-P183 HydrophobicContact CD1-CG 4.3Å
115G87.6Confident86.9Confident23 Ų2371.6 Ų71.624%0.23734%0.339CS..  trans97.7144.2-171.300000112.3P111 Q117 Y118 A119P111-G115 CarbonylContact O-C 3.52Å; P111-G115 VanDerWaalsContact O-CA 3.25Å; P111-G115 WeakPolarHBondContact O-CA 3.34Å; P111-G115 PolarHBondContact O-N 3.25Å; G115-Q117 PolarHBondContact O-N 3.08Å; G115-Y118 PolarHBondContact O-N 2.66Å; G115-Y118 VanDerWaalsContact O-N 3.12Å; G115-A119 PolarHBondContact O-N 2.93Å
116S88.4Confident86.8Confident98 Ų9871.9 Ų71.969%0.68534%0.344SS*.G310 helixtrans-59.5-31.8-174.953.10000113.3Y118 A119S116-Y118 PolarHBondContact O-N 2.95Å; S116-A119 VanDerWaalsContact O-CB 3.28Å; S116-A119 WeakPolarHBondContact O-CB 3.38Å; S116-A119 PolarHBondContact O-N 3.49Å
117Q89Confident86.8Confident114 Ų11470.5 Ų70.553%0.53334%0.339SS..G310 helixtrans-67.7-20.4179.571.7-81.416.600114.1G115 Q121G115-Q117 PolarHBondContact O-N 3.08Å; Q117-Q121 PolarHBondContact O-NE2 3.24Å
118Y86.5Confident86.9Confident62 Ų6269.3 Ų69.324%0.24333%0.333CS..G310 helixtrans-109.23.2177.3-54.3-63.6000112.7Y114 G115 S116 Y120 Q121 P183 F184Y114-Y118 WeakPolarHBondContact O-CD2 3.49Å; G115-Y118 PolarHBondContact O-N 2.66Å; G115-Y118 VanDerWaalsContact O-N 3.12Å; S116-Y118 PolarHBondContact O-N 2.95Å; Y118-Y120 PolarHBondContact O-N 3.43Å; Y118-Q121 WeakPolarHBondContact O-CB 3.22Å; Y118-Q121 PolarHBondContact O-N 3.44Å; Y118-P183 HydrophobicContact CD1-CB 3.73Å; Y118-P183 HydrophobicContact CD1-CG 3.99Å; Y118-P183 HydrophobicContact CD2-CB 4Å; Y118-P183 HydrophobicContact CD2-CG 3.68Å; Y118-P183 HydrophobicContact CE1-CB 4.03Å; Y118-P183 HydrophobicContact CE2-CB 4.26Å; Y118-P183 HydrophobicContact CE2-CG 4.35Å; Y118-P183 HydrophobicContact CG-CB 3.72Å; Y118-P183 HydrophobicContact CG-CG 3.46Å; Y118-P183 VanDerWaalsContact CG-CG 3.46Å; Y118-F184 HydrophobicContact CE2-CZ 4.31Å; Y118-F184 WeakPolarHBondContact OH-CE1 3.45Å
119A83.1Confident87.1Confident20 Ų2074.1 Ų74.117%0.16535%0.347CS..THydrogen-bonded Turntrans-61135.5-176.900000110.7R109 P111 G115 S116 Q121R109-A119 WeakPolarHBondContact O-CA 3.31Å; P111-A119 HydrophobicContact CB-CB 3.84Å; P111-A119 HydrophobicContact CG-CB 4.41Å; G115-A119 PolarHBondContact O-N 2.93Å; S116-A119 VanDerWaalsContact O-CB 3.28Å; S116-A119 WeakPolarHBondContact O-CB 3.38Å; S116-A119 PolarHBondContact O-N 3.49Å; A119-Q121 PolarHBondContact O-N 3.04Å
120Y78.1Confident87.4Confident134 Ų13475.2 Ų75.253%0.52535%0.354SS..THydrogen-bonded Turntrans58.412176.9-46.5-73.9000114.9V108 R109 Y118 Y122V108-Y120 HydrophobicContact CG1-CD1 4.09Å; V108-Y120 HydrophobicContact CG1-CE1 4.19Å; R109-Y120 PolarHBondContact O-N 2.95Å; Y118-Y120 PolarHBondContact O-N 3.43Å; Y120-Y122 PolarHBondContact O-N 2.82Å; Y120-Y122 VanDerWaalsContact O-N 3.13Å
121Q80.3Confident87.9Confident96 Ų9673.3 Ų73.345%0.44935%0.346SS..  trans-81.290.8171.9-67-174.61.300109.4R109 Q117 Y118 A119R109-Q121 VanDerWaalsContact CD-O 3.29Å; R109-Q121 WeakPolarHBondContact CD-O 3.23Å; R109-Q121 PolarHBondContact NH1-O 3.13Å; Q117-Q121 PolarHBondContact O-NE2 3.24Å; Y118-Q121 WeakPolarHBondContact O-CB 3.22Å; Y118-Q121 PolarHBondContact O-N 3.44Å; A119-Q121 PolarHBondContact O-N 3.04Å
122Y76.7Confident88.4Confident142 Ų14273 Ų7356%0.55734%0.342SS*.  trans-51.6133.1177.6-69.4-72.6000111.8F107 Y120 K124F107-Y122 HydrophobicContact CD1-CD1 4.09Å; F107-Y122 HydrophobicContact CD1-CE1 4.35Å; F107-Y122 AromaticContact CE1-CD1 3.54Å; F107-Y122 HydrophobicContact CE1-CD1 3.54Å; F107-Y122 HydrophobicContact CE1-CE1 4.04Å; F107-Y122 HydrophobicContact CZ-CD1 4.33Å; Y120-Y122 PolarHBondContact O-N 2.82Å; Y120-Y122 VanDerWaalsContact O-N 3.13Å; Y122-K124 PolarHBondContact O-N 3.38Å
123P80.3Confident88.9Confident1 Ų166.9 Ų66.91%0.00633%0.331CS..  trans-52.8127.5179.5-27.333.8000112.5F107 V128 R129F107-P123 HydrophobicContact CD2-CG 4.01Å; F107-P123 HydrophobicContact CE2-CB 4.35Å; F107-P123 HydrophobicContact CE2-CG 3.87Å; F107-P123 HydrophobicContact CZ-CG 4.46Å; P123-V128 HydrophobicContact CB-CB 3.73Å; P123-V128 HydrophobicContact CB-CG1 3.34Å; P123-V128 HydrophobicContact CB-CG2 4.22Å; P123-V128 HydrophobicContact CG-CB 4.49Å; P123-V128 HydrophobicContact CG-CG1 3.57Å; P123-R129 PolarHBondContact O-NE 3.22Å
124K80.8Confident89.4Confident185 Ų18564.2 Ų64.280%0.80432%0.318SS*.  trans-78.2-32.3-177.7-63.9-175.5-178.1179.20112.6Y122 V126Y122-K124 PolarHBondContact O-N 3.38Å; K124-V126 PolarHBondContact O-N 3.02Å
125H91Very high89.8Confident86 Ų8663.5 Ų63.540%0.39832%0.315SS..SBendtrans-70.3129.7-174.9-60.8-63.7000111.6V127 V128H125-V127 HydrophobicContact CB-CG1 4.01Å; H125-V127 PolarHBondContact O-N 3.44Å; H125-V128 HydrophobicContact CB-CG2 4.13Å; H125-V128 PolarHBondContact O-N 3.48Å
126V92.7Very high90.4Very high86 Ų8664.6 Ų64.652%0.52132%0.317SS..Hα-helixtrans-55.1-38.5178.362.40000112.3K124 V128 R129 L130 M195K124-V126 PolarHBondContact O-N 3.02Å; V126-V128 VanDerWaalsContact C-N 3.25Å; V126-V128 PolarHBondContact O-N 3.03Å; V126-R129 PolarHBondContact O-N 3.49Å; V126-R129 VanDerWaalsContact O-N 3.15Å; V126-L130 HydrophobicContact CG2-CD1 4.08Å; V126-L130 HydrophobicContact CG2-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CG 3.43Å; V126-L130 PolarHBondContact O-N 3.35Å; V126-M195 HydrophobicContact CG1-CE 3.89Å; V126-M195 HydrophobicContact CG1-SD 3.77Å
127V94.7Very high90.8Very high3 Ų365.8 Ų65.82%0.01831%0.31CS..Hα-helixtrans-59.1-34177.966.30000112.8H125 L130 A131 Y185 P187 P188 M195 M262H125-V127 HydrophobicContact CB-CG1 4.01Å; H125-V127 PolarHBondContact O-N 3.44Å; V127-L130 PolarHBondContact O-N 3.22Å; V127-A131 VanDerWaalsContact O-CB 3.26Å; V127-A131 WeakPolarHBondContact O-CB 3.26Å; V127-A131 PolarHBondContact O-N 2.91Å; V127-Y185 HydrophobicContact CG1-CE1 3.57Å; V127-P187 HydrophobicContact CG1-CB 4.12Å; V127-P188 HydrophobicContact CG2-CG 4.36Å; V127-M195 HydrophobicContact CB-CG 4.44Å; V127-M195 HydrophobicContact CB-SD 3.79Å; V127-M195 HydrophobicContact CG2-CG 4.31Å; V127-M195 HydrophobicContact CG2-SD 4.31Å; V127-M262 HydrophobicContact CG2-CG 4.35Å; V127-M262 WeakPolarHBondContact CG2-O 3.44Å
128V95.3Very high91.3Very high1 Ų160.4 Ų60.41%0.00629%0.285CS..Hα-helixtrans-71.8-38.2179.7179.20000110.7F107 P123 H125 V126 A131 L132 I180 N181 Y185F107-V128 HydrophobicContact CD2-CG1 4.23Å; F107-V128 HydrophobicContact CE2-CG1 4.14Å; P123-V128 HydrophobicContact CB-CB 3.73Å; P123-V128 HydrophobicContact CB-CG1 3.34Å; P123-V128 HydrophobicContact CB-CG2 4.22Å; P123-V128 HydrophobicContact CG-CB 4.49Å; P123-V128 HydrophobicContact CG-CG1 3.57Å; H125-V128 HydrophobicContact CB-CG2 4.13Å; H125-V128 PolarHBondContact O-N 3.48Å; V126-V128 VanDerWaalsContact C-N 3.25Å; V126-V128 PolarHBondContact O-N 3.03Å; V128-A131 PolarHBondContact O-N 3.34Å; V128-L132 PolarHBondContact O-N 3.22Å; V128-I180 HydrophobicContact CB-CG2 4.44Å; V128-I180 HydrophobicContact CG1-CG2 4.14Å; V128-I180 HydrophobicContact CG2-CG2 4.19Å; V128-I180 WeakPolarHBondContact CG2-O 3.5Å; V128-N181 WeakPolarHBondContact CG1-OD1 3.39Å; V128-Y185 HydrophobicContact CG2-CD1 3.6Å; V128-Y185 HydrophobicContact CG2-CE1 3.69Å; V128-Y185 HydrophobicContact CG2-CG 4.45Å
129R95.2Very high91.9Very high139 Ų13957.5 Ų57.553%0.52527%0.273SS..Hα-helixtrans-68.1-41.3174.3-59.2-179-171.8177.1-0.6111.4F107 P123 V126 A131 L132 A133F107-R129 HydrophobicContact CE2-CG 4.45Å; F107-R129 HydrophobicContact CZ-CG 4.42Å; P123-R129 PolarHBondContact O-NE 3.22Å; V126-R129 PolarHBondContact O-N 3.49Å; V126-R129 VanDerWaalsContact O-N 3.15Å; R129-A131 VanDerWaalsContact C-N 3.34Å; R129-L132 PolarHBondContact O-N 3.45Å; R129-A133 WeakPolarHBondContact O-CB 3.35Å; R129-A133 PolarHBondContact O-N 3.22Å
130L96.5Very high92.6Very high44 Ų4458.6 Ų58.623%0.2328%0.283CS..Hα-helixtrans-62.6-41.4172.8-70.2173.9000111.3V126 V127 L132 A133 C134 M195 L199 M262V126-L130 HydrophobicContact CG2-CD1 4.08Å; V126-L130 HydrophobicContact CG2-CG 4.25Å; V126-L130 WeakPolarHBondContact O-CG 3.43Å; V126-L130 PolarHBondContact O-N 3.35Å; V127-L130 PolarHBondContact O-N 3.22Å; L130-L132 PolarHBondContact O-N 3.2Å; L130-A133 PolarHBondContact O-N 3.05Å; L130-C134 WeakPolarHBondContact O-CB 3.33Å; L130-C134 PolarHBondContact O-N 3.46Å; L130-C134 PolarHBondContact O-SG 2.75Å; L130-C134 VanDerWaalsContact O-SG 3.34Å; L130-M195 HydrophobicContact CD1-CE 4.35Å; L130-M195 HydrophobicContact CD1-CG 4.2Å; L130-M195 HydrophobicContact CD1-SD 3.85Å; L130-L199 HydrophobicContact CD1-CD2 4.3Å; L130-L199 HydrophobicContact CD2-CD2 4.27Å; L130-M262 HydrophobicContact CB-SD 4.41Å
131A97.8Very high93.6Very high0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-61.1-45.4176.600000111.7Y103 V127 V128 R129 A133 W135 I180 F259 M262 T263Y103-A131 WeakPolarHBondContact OH-CB 3.49Å; V127-A131 VanDerWaalsContact O-CB 3.26Å; V127-A131 WeakPolarHBondContact O-CB 3.26Å; V127-A131 PolarHBondContact O-N 2.91Å; V128-A131 PolarHBondContact O-N 3.34Å; R129-A131 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.11Å; A131-W135 WeakPolarHBondContact O-CB 3.36Å; A131-W135 PolarHBondContact O-N 2.86Å; A131-I180 HydrophobicContact CB-CD1 4.36Å; A131-I180 HydrophobicContact CB-CG2 3.89Å; A131-F259 HydrophobicContact CB-CE2 4.02Å; A131-F259 HydrophobicContact CB-CZ 3.91Å; A131-M262 HydrophobicContact CB-CE 4.29Å; A131-T263 HydrophobicContact CB-CG2 3.78Å
132L97.6Very high94.5Very high34 Ų3448.9 Ų48.918%0.17824%0.241CC..Hα-helixtrans-57.8-47.6172.2175.766.4000111.4Y103 P104 F107 V128 R129 L130 W135 T136Y103-L132 HydrophobicContact CD1-CD1 3.57Å; Y103-L132 HydrophobicContact CE1-CB 3.97Å; Y103-L132 HydrophobicContact CE1-CD1 3.8Å; P104-L132 HydrophobicContact CB-CD1 4.36Å; P104-L132 HydrophobicContact CG-CD1 4.04Å; F107-L132 HydrophobicContact CB-CD1 4.48Å; F107-L132 HydrophobicContact CB-CD2 4.45Å; F107-L132 HydrophobicContact CD1-CD2 3.88Å; F107-L132 HydrophobicContact CD2-CB 4.17Å; F107-L132 HydrophobicContact CD2-CD2 3.77Å; F107-L132 HydrophobicContact CD2-CG 4.44Å; F107-L132 HydrophobicContact CE1-CD2 3.97Å; F107-L132 HydrophobicContact CE2-CB 4.38Å; F107-L132 HydrophobicContact CE2-CD2 3.89Å; F107-L132 HydrophobicContact CG-CD2 3.78Å; F107-L132 HydrophobicContact CZ-CD2 4Å; V128-L132 PolarHBondContact O-N 3.22Å; R129-L132 PolarHBondContact O-N 3.45Å; L130-L132 PolarHBondContact O-N 3.2Å; L132-W135 PolarHBondContact O-N 3.37Å; L132-T136 WeakPolarHBondContact O-CB 3.41Å; L132-T136 PolarHBondContact O-N 3.48Å; L132-T136 PolarHBondContact O-OG1 2.99Å
133A98.1Very high95.5Very high56 Ų5643.6 Ų43.646%0.46322%0.222SC..Hα-helixtrans-61.8-49.7-179.900000112.1R129 L130 A131 W135 T136 F137R129-A133 WeakPolarHBondContact O-CB 3.35Å; R129-A133 PolarHBondContact O-N 3.22Å; L130-A133 PolarHBondContact O-N 3.05Å; A131-A133 PolarHBondContact O-N 3.11Å; A133-W135 PolarHBondContact O-N 3.48Å; A133-T136 PolarHBondContact O-N 3Å; A133-F137 WeakPolarHBondContact O-CB 3.34Å; A133-F137 PolarHBondContact O-N 3.43Å
134C98.7Very high96.4Very high9 Ų948.6 Ų48.66%0.06124%0.242CC..Hα-helixtrans-57.5-49.5176.3-74.60000111.7L130 F137 H138 L199 F202 F259 M262L130-C134 WeakPolarHBondContact O-CB 3.33Å; L130-C134 PolarHBondContact O-N 3.46Å; L130-C134 PolarHBondContact O-SG 2.75Å; L130-C134 VanDerWaalsContact O-SG 3.34Å; C134-F137 PolarHBondContact O-N 3.48Å; C134-H138 WeakPolarHBondContact O-CB 3.45Å; C134-H138 PolarHBondContact O-N 3.4Å; C134-L199 VanDerWaalsContact SG-CD1 3.56Å; C134-F202 HydrophobicContact CB-CD1 3.95Å; C134-F202 HydrophobicContact CB-CE1 3.48Å; C134-F202 VanDerWaalsContact CB-CE1 3.48Å; C134-F202 HydrophobicContact CB-CE2 4.17Å; C134-F202 HydrophobicContact CB-CG 4.47Å; C134-F202 HydrophobicContact CB-CZ 3.6Å; C134-F202 WeakPolarHBondContact O-CZ 3.44Å; C134-F202 VanDerWaalsContact SG-CD1 3.58Å; C134-F259 HydrophobicContact CB-CD2 3.97Å; C134-F259 HydrophobicContact CB-CE2 3.93Å; C134-M262 HydrophobicContact CB-CE 4.39Å
135W98.6Very high97.2Very high0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-61-49.9179.7-170.6-79.7000111.5P99 Y103 A131 L132 A133 F137 H138 Y139 A173 V176 W256 F259P99-W135 HydrophobicContact CB-CZ2 4.08Å; P99-W135 PolarHBondContact O-NE1 2.81Å; Y103-W135 VanDerWaalsContact CB-CD1 3.42Å; Y103-W135 VanDerWaalsContact CB-NE1 3.31Å; Y103-W135 HydrophobicContact CD1-CG 4.37Å; Y103-W135 HydrophobicContact CD2-CB 4.08Å; Y103-W135 AromaticContact CD2-CD1 3.67Å; Y103-W135 AromaticContact CD2-CD2 3.22Å; Y103-W135 HydrophobicContact CD2-CD2 3.22Å; Y103-W135 AromaticContact CD2-CE2 3.47Å; Y103-W135 VanDerWaalsContact CD2-CE2 3.47Å; Y103-W135 AromaticContact CD2-CE3 3.69Å; Y103-W135 HydrophobicContact CD2-CE3 3.69Å; Y103-W135 AromaticContact CD2-CG 3.4Å; Y103-W135 HydrophobicContact CD2-CG 3.4Å; Y103-W135 HydrophobicContact CD2-CZ2 4.15Å; Y103-W135 HydrophobicContact CD2-CZ3 4.31Å; Y103-W135 AromaticContact CD2-NE1 3.69Å; Y103-W135 HydrophobicContact CE2-CB 4.15Å; Y103-W135 AromaticContact CE2-CD2 3.71Å; Y103-W135 HydrophobicContact CE2-CD2 3.71Å; Y103-W135 AromaticContact CE2-CE3 3.75Å; Y103-W135 HydrophobicContact CE2-CE3 3.75Å; Y103-W135 AromaticContact CE2-CG 3.9Å; Y103-W135 HydrophobicContact CE2-CG 3.9Å; Y103-W135 HydrophobicContact CE2-CZ3 4.44Å; Y103-W135 HydrophobicContact CG-CB 4.3Å; Y103-W135 AromaticContact CG-CD1 3.57Å; Y103-W135 AromaticContact CG-CD2 3.98Å; Y103-W135 HydrophobicContact CG-CD2 3.98Å; Y103-W135 AromaticContact CG-CG 3.7Å; Y103-W135 HydrophobicContact CG-CG 3.7Å; Y103-W135 AromaticContact CG-NE1 3.78Å; A131-W135 WeakPolarHBondContact O-CB 3.36Å; A131-W135 PolarHBondContact O-N 2.86Å; L132-W135 PolarHBondContact O-N 3.37Å; A133-W135 PolarHBondContact O-N 3.48Å; W135-F137 PolarHBondContact O-N 2.87Å; W135-H138 PolarHBondContact O-N 3.27Å; W135-Y139 AromaticContact CD1-CD2 3.61Å; W135-Y139 AromaticContact CD1-CE2 3.91Å; W135-Y139 HydrophobicContact CD2-CD2 4.3Å; W135-Y139 AromaticContact CD2-CE2 3.86Å; W135-Y139 HydrophobicContact CD2-CE2 3.86Å; W135-Y139 AromaticContact CE2-CD2 3.85Å; W135-Y139 AromaticContact CE2-CE2 3.3Å; W135-Y139 HydrophobicContact CG-CD2 4.17Å; W135-Y139 HydrophobicContact CG-CE2 4.21Å; W135-Y139 HydrophobicContact CH2-CE2 4.28Å; W135-Y139 HydrophobicContact CZ2-CD2 4.46Å; W135-Y139 AromaticContact CZ2-CE2 3.53Å; W135-Y139 HydrophobicContact CZ2-CE2 3.53Å; W135-Y139 AromaticContact NE1-CD2 3.39Å; W135-Y139 AromaticContact NE1-CE2 3.35Å; W135-Y139 VanDerWaalsContact NE1-CE2 3.35Å; W135-Y139 VanDerWaalsContact O-CD2 3.29Å; W135-Y139 WeakPolarHBondContact O-CD2 3.34Å; W135-Y139 PolarHBondContact O-N 3.45Å; W135-Y139 VanDerWaalsContact O-N 3.13Å; W135-A173 HydrophobicContact CH2-CB 4.42Å; W135-A173 VanDerWaalsContact CZ2-CA 3.46Å; W135-A173 HydrophobicContact CZ2-CB 3.59Å; W135-V176 HydrophobicContact CE3-CG1 4.4Å; W135-V176 HydrophobicContact CH2-CB 4.22Å; W135-V176 HydrophobicContact CH2-CG1 4.41Å; W135-V176 HydrophobicContact CH2-CG2 4.44Å; W135-V176 HydrophobicContact CZ3-CB 4.09Å; W135-V176 HydrophobicContact CZ3-CG1 3.78Å; W135-V176 HydrophobicContact CZ3-CG2 4.4Å; W135-W256 HydrophobicContact CD2-CH2 4.42Å; W135-W256 HydrophobicContact CE3-CH2 4.01Å; W135-W256 AromaticContact CE3-CZ3 3.77Å; W135-W256 HydrophobicContact CE3-CZ3 3.77Å; W135-W256 HydrophobicContact CZ3-CH2 4.15Å; W135-W256 AromaticContact CZ3-CZ3 3.86Å; W135-W256 HydrophobicContact CZ3-CZ3 3.86Å; W135-F259 HydrophobicContact CE3-CE1 4.23Å; W135-F259 AromaticContact CE3-CZ 3.95Å; W135-F259 HydrophobicContact CE3-CZ 3.95Å; W135-F259 HydrophobicContact CZ3-CE1 4.46Å
136T98.5Very high97.4Very high47 Ų4735.7 Ų35.729%0.28819%0.185SC..Hα-helixtrans-62.1-46.6-179.4-56.50000110.6L100 L132 A133 H138 Y139 A140L100-T136 HydrophobicContact CD1-CG2 3.8Å; L132-T136 WeakPolarHBondContact O-CB 3.41Å; L132-T136 PolarHBondContact O-N 3.48Å; L132-T136 PolarHBondContact O-OG1 2.99Å; A133-T136 PolarHBondContact O-N 3Å; T136-H138 PolarHBondContact O-N 3.45Å; T136-Y139 PolarHBondContact O-N 3.33Å; T136-A140 WeakPolarHBondContact O-CB 3.12Å; T136-A140 PolarHBondContact O-N 3.35Å
137F98.6Very high97.5Very high122 Ų12235.1 Ų35.154%0.53518%0.177SC..Hα-helixtrans-59.1-47.1177.5177.7-95.3000111.6A133 C134 W135 Y139 A140 K141 E206A133-F137 WeakPolarHBondContact O-CB 3.34Å; A133-F137 PolarHBondContact O-N 3.43Å; C134-F137 PolarHBondContact O-N 3.48Å; W135-F137 PolarHBondContact O-N 2.87Å; F137-Y139 PolarHBondContact O-N 2.96Å; F137-A140 PolarHBondContact O-N 3.44Å; F137-K141 HydrophobicContact CE1-CD 4.41Å; F137-K141 WeakPolarHBondContact O-CB 3.42Å; F137-K141 PolarHBondContact O-N 3.33Å; F137-E206 HydrophobicContact CD1-CG 4.46Å; F137-E206 HydrophobicContact CE1-CB 4.2Å; F137-E206 HydrophobicContact CE1-CG 4.39Å
138H98.8Very high97.5Very high2 Ų242.6 Ų42.61%0.00921%0.205CC..Hα-helixtrans-56.8-51.7178.917793.2000112.1C134 W135 T136 K141 R142 F202 E206 E252 W256C134-H138 WeakPolarHBondContact O-CB 3.45Å; C134-H138 PolarHBondContact O-N 3.4Å; W135-H138 PolarHBondContact O-N 3.27Å; T136-H138 PolarHBondContact O-N 3.45Å; H138-K141 WeakPolarHBondContact O-CB 3.45Å; H138-K141 PolarHBondContact O-N 3.03Å; H138-R142 PolarHBondContact CE1-NH1 3.5Å; H138-R142 WeakPolarHBondContact O-CG 3.46Å; H138-R142 PolarHBondContact O-N 3.47Å; H138-F202 HydrophobicContact CB-CZ 4.14Å; H138-E206 IonicContact CE1-OE1 3.56Å; H138-E206 IonicContact CG-OE1 3.84Å; H138-E206 IonicContact CG-OE2 3.93Å; H138-E206 IonicContact ND1-OE1 2.75Å; H138-E206 PolarHBondContact ND1-OE1 3.49Å; H138-E206 IonicContact ND1-OE2 3.4Å; H138-E206 PolarHBondContact ND1-OE2 3.01Å; H138-E252 IonicContact CE1-OE1 3.85Å; H138-E252 PolarHBondContact CE1-OE1 2.81Å; H138-E252 IonicContact CE1-OE2 3.5Å; H138-E252 PolarHBondContact CE1-OE2 2.68Å; H138-E252 IonicContact NE2-OE1 3.57Å; H138-E252 PolarHBondContact NE2-OE1 3.24Å; H138-W256 HydrophobicContact CB-CH2 4.29Å; H138-W256 HydrophobicContact CB-CZ2 4.35Å; H138-W256 AromaticContact CD2-CH2 3.96Å; H138-W256 AromaticContact CD2-CZ2 3.34Å; H138-W256 WeakPolarHBondContact CD2-CZ2 3.45Å; H138-W256 AromaticContact CE1-CE2 3.78Å; H138-W256 AromaticContact CE1-CZ2 3.56Å; H138-W256 AromaticContact CE1-NE1 3.66Å; H138-W256 AromaticContact CG-CH2 3.92Å; H138-W256 AromaticContact CG-CZ2 3.51Å; H138-W256 AromaticContact ND1-CZ2 3.65Å; H138-W256 AromaticContact NE2-CE2 3.98Å; H138-W256 AromaticContact NE2-CZ2 3.41Å; H138-W256 WeakPolarHBondContact NE2-CZ2 3.46Å; H138-W256 AromaticContact NE2-NE1 3.99Å
139Y98.6Very high97.5Very high0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-74.4-32.3-176.3-73.9-72.6000112.7Y96 P99 W135 T136 F137 R142 L143 Y169 W256 F271Y96-Y139 AromaticContact CD1-CD1 3.96Å; Y96-Y139 HydrophobicContact CD1-CD1 3.96Å; Y96-Y139 HydrophobicContact CD1-CE1 4Å; Y96-Y139 HydrophobicContact CG-CD1 4.33Å; P99-Y139 HydrophobicContact CB-CD1 3.74Å; P99-Y139 HydrophobicContact CB-CD2 3.61Å; P99-Y139 HydrophobicContact CB-CE1 3.54Å; P99-Y139 HydrophobicContact CB-CE2 3.43Å; P99-Y139 VanDerWaalsContact CB-CE2 3.43Å; P99-Y139 HydrophobicContact CB-CG 3.76Å; P99-Y139 HydrophobicContact CG-CD1 4.08Å; P99-Y139 HydrophobicContact CG-CE1 3.6Å; P99-Y139 HydrophobicContact CG-CE2 4.3Å; W135-Y139 AromaticContact CD1-CD2 3.61Å; W135-Y139 AromaticContact CD1-CE2 3.91Å; W135-Y139 HydrophobicContact CD2-CD2 4.3Å; W135-Y139 AromaticContact CD2-CE2 3.86Å; W135-Y139 HydrophobicContact CD2-CE2 3.86Å; W135-Y139 AromaticContact CE2-CD2 3.85Å; W135-Y139 AromaticContact CE2-CE2 3.3Å; W135-Y139 HydrophobicContact CG-CD2 4.17Å; W135-Y139 HydrophobicContact CG-CE2 4.21Å; W135-Y139 HydrophobicContact CH2-CE2 4.28Å; W135-Y139 HydrophobicContact CZ2-CD2 4.46Å; W135-Y139 AromaticContact CZ2-CE2 3.53Å; W135-Y139 HydrophobicContact CZ2-CE2 3.53Å; W135-Y139 AromaticContact NE1-CD2 3.39Å; W135-Y139 AromaticContact NE1-CE2 3.35Å; W135-Y139 VanDerWaalsContact NE1-CE2 3.35Å; W135-Y139 VanDerWaalsContact O-CD2 3.29Å; W135-Y139 WeakPolarHBondContact O-CD2 3.34Å; W135-Y139 PolarHBondContact O-N 3.45Å; W135-Y139 VanDerWaalsContact O-N 3.13Å; T136-Y139 PolarHBondContact O-N 3.33Å; F137-Y139 PolarHBondContact O-N 2.96Å; Y139-R142 PolarHBondContact O-N 2.81Å; Y139-L143 WeakPolarHBondContact O-CG 3.31Å; Y139-L143 PolarHBondContact O-N 2.69Å; Y139-Y169 HydrophobicContact CE1-CD1 4.24Å; Y139-W256 AromaticContact CE2-CH2 3.84Å; Y139-W256 HydrophobicContact CE2-CH2 3.84Å; Y139-W256 HydrophobicContact CE2-CZ2 4.15Å; Y139-F271 WeakPolarHBondContact OH-CZ 3Å
140A98.5Very high97.3Very high44 Ų4438 Ų3836%0.36419%0.19SC..Hα-helixtrans-63.3-45.317000000111.3L100 T136 F137 R142 L143 Y144L100-A140 HydrophobicContact CD1-CB 4.48Å; T136-A140 WeakPolarHBondContact O-CB 3.12Å; T136-A140 PolarHBondContact O-N 3.35Å; F137-A140 PolarHBondContact O-N 3.44Å; A140-R142 VanDerWaalsContact C-N 3.32Å; A140-R142 PolarHBondContact O-N 2.91Å; A140-L143 PolarHBondContact O-N 2.91Å; A140-Y144 WeakPolarHBondContact O-CB 3.37Å; A140-Y144 PolarHBondContact O-N 3.44Å
141K98.6Very high96.8Very high16 Ų1642.8 Ų42.87%0.0721%0.205CC..Hα-helixtrans-58.2-44172.9-176.5-154.176-174.90110.9F137 H138 L143 Y144 E145 E206F137-K141 HydrophobicContact CE1-CD 4.41Å; F137-K141 WeakPolarHBondContact O-CB 3.42Å; F137-K141 PolarHBondContact O-N 3.33Å; H138-K141 WeakPolarHBondContact O-CB 3.45Å; H138-K141 PolarHBondContact O-N 3.03Å; K141-L143 PolarHBondContact O-N 2.86Å; K141-Y144 WeakPolarHBondContact O-CB 3.39Å; K141-Y144 PolarHBondContact O-N 3.28Å; K141-E145 WeakPolarHBondContact CD-OE1 3.16Å; K141-E145 WeakPolarHBondContact CE-OE1 3.46Å; K141-E145 HydrophobicContact CG-CG 4.37Å; K141-E145 IonicContact NZ-OE1 3.19Å; K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 VanDerWaalsContact O-CG 3.29Å; K141-E145 WeakPolarHBondContact O-CG 3.46Å; K141-E145 PolarHBondContact O-N 3.32Å; K141-E206 WeakPolarHBondContact CD-OE2 3.43Å; K141-E206 VanDerWaalsContact CE-OE2 3.31Å; K141-E206 WeakPolarHBondContact CE-OE2 3.29Å; K141-E206 VanDerWaalsContact NZ-CD 3.27Å; K141-E206 IonicContact NZ-OE1 3.49Å; K141-E206 PolarHBondContact NZ-OE1 3.18Å; K141-E206 IonicContact NZ-OE2 2.73Å; K141-E206 PolarHBondContact NZ-OE2 3.25Å
142R98.3Very high96.1Very high10 Ų1046.2 Ų46.24%0.03822%0.22CC..Hα-helixtrans-63.3-41.1178-83.3-65.5133.975.618.4114Y96 H138 Y139 A140 Y144 E145 T146 N209 E252Y96-R142 HydrophobicContact CD1-CB 4.3Å; Y96-R142 HydrophobicContact CD2-CB 3.6Å; Y96-R142 HydrophobicContact CD2-CG 4.44Å; Y96-R142 HydrophobicContact CE2-CB 3.85Å; Y96-R142 HydrophobicContact CE2-CG 4.3Å; Y96-R142 HydrophobicContact CG-CB 3.85Å; H138-R142 PolarHBondContact CE1-NH1 3.5Å; H138-R142 WeakPolarHBondContact O-CG 3.46Å; H138-R142 PolarHBondContact O-N 3.47Å; Y139-R142 PolarHBondContact O-N 2.81Å; A140-R142 VanDerWaalsContact C-N 3.32Å; A140-R142 PolarHBondContact O-N 2.91Å; R142-Y144 VanDerWaalsContact C-N 3.35Å; R142-E145 IonicContact CZ-OE2 3.98Å; R142-E145 IonicContact NE-OE2 3.78Å; R142-E145 PolarHBondContact NE-OE2 3.27Å; R142-E145 IonicContact NH2-OE2 2.66Å; R142-E145 PolarHBondContact O-N 3.49Å; R142-T146 WeakPolarHBondContact O-CB 3.39Å; R142-T146 PolarHBondContact O-N 2.96Å; R142-T146 PolarHBondContact O-OG1 3.49Å; R142-N209 PolarHBondContact NH2-ND2 2.79Å; R142-N209 VanDerWaalsContact NH2-ND2 3.19Å; R142-N209 PolarHBondContact NH2-OD1 3.42Å; R142-E252 IonicContact CZ-OE1 3.26Å; R142-E252 IonicContact CZ-OE2 3.6Å; R142-E252 IonicContact NH1-OE1 2.92Å; R142-E252 PolarHBondContact NH1-OE1 2.88Å; R142-E252 IonicContact NH1-OE2 2.95Å; R142-E252 PolarHBondContact NH1-OE2 2.84Å; R142-E252 IonicContact NH2-OE2 3.85Å; R142-E252 PolarHBondContact NH2-OE2 3.14Å
143L98.2Very high94.7Very high30 Ų3047.1 Ų47.116%0.15723%0.229CC..Hα-helixtrans-63.8-43172.8-72.1173.3000111I93 L97 L100 Y139 A140 K141 T146 M147I93-L143 HydrophobicContact CB-CD2 4.43Å; I93-L143 HydrophobicContact CG1-CD2 4.46Å; I93-L143 HydrophobicContact CG2-CD2 4.4Å; L97-L143 HydrophobicContact CD1-CD1 4.43Å; L100-L143 HydrophobicContact CD2-CD1 3.48Å; L100-L143 VanDerWaalsContact CD2-CD1 3.48Å; Y139-L143 WeakPolarHBondContact O-CG 3.31Å; Y139-L143 PolarHBondContact O-N 2.69Å; A140-L143 PolarHBondContact O-N 2.91Å; K141-L143 PolarHBondContact O-N 2.86Å; L143-T146 WeakPolarHBondContact O-CB 3.42Å; L143-T146 PolarHBondContact O-N 3.26Å; L143-M147 WeakPolarHBondContact O-CG 3.3Å; L143-M147 PolarHBondContact O-N 2.73Å
144Y98.4Very high93.3Very high107 Ų10750.7 Ų50.742%0.4224%0.236SC..Hα-helixtrans-59-50.9174.8171.9-88.3000112A140 K141 R142 T146 M147 W148 V149 Y210A140-Y144 WeakPolarHBondContact O-CB 3.37Å; A140-Y144 PolarHBondContact O-N 3.44Å; K141-Y144 WeakPolarHBondContact O-CB 3.39Å; K141-Y144 PolarHBondContact O-N 3.28Å; R142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-T146 VanDerWaalsContact C-N 3.28Å; Y144-T146 PolarHBondContact O-N 2.73Å; Y144-M147 PolarHBondContact O-N 3.36Å; Y144-M147 VanDerWaalsContact O-N 3.12Å; Y144-W148 HydrophobicContact CD2-CD2 4.16Å; Y144-W148 AromaticContact CD2-CE3 3.17Å; Y144-W148 HydrophobicContact CD2-CE3 3.17Å; Y144-W148 AromaticContact CD2-CZ3 3.56Å; Y144-W148 HydrophobicContact CD2-CZ3 3.56Å; Y144-W148 HydrophobicContact CE2-CB 4.47Å; Y144-W148 HydrophobicContact CE2-CD2 4.22Å; Y144-W148 AromaticContact CE2-CE3 3.66Å; Y144-W148 HydrophobicContact CE2-CE3 3.66Å; Y144-W148 HydrophobicContact CE2-CZ3 4.33Å; Y144-W148 AromaticContact CG-CE3 3.75Å; Y144-W148 HydrophobicContact CG-CE3 3.75Å; Y144-W148 HydrophobicContact CG-CZ3 4.17Å; Y144-W148 PolarHBondContact O-N 3.21Å; Y144-V149 HydrophobicContact CD1-CG2 4.27Å; Y144-V149 HydrophobicContact CE1-CG2 3.81Å; Y144-Y210 HydrophobicContact CE1-CE2 4.16Å
145E97.7Very high92.1Very high0 Ų054 Ų540%026%0.264CS..Iπ-helixtrans-58.7-42178.1-72.5169.5175.100111.3K141 R142 M147 V149 H150 Y210 H213K141-E145 WeakPolarHBondContact CD-OE1 3.16Å; K141-E145 WeakPolarHBondContact CE-OE1 3.46Å; K141-E145 HydrophobicContact CG-CG 4.37Å; K141-E145 IonicContact NZ-OE1 3.19Å; K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 VanDerWaalsContact O-CG 3.29Å; K141-E145 WeakPolarHBondContact O-CG 3.46Å; K141-E145 PolarHBondContact O-N 3.32Å; R142-E145 IonicContact CZ-OE2 3.98Å; R142-E145 IonicContact NE-OE2 3.78Å; R142-E145 PolarHBondContact NE-OE2 3.27Å; R142-E145 IonicContact NH2-OE2 2.66Å; R142-E145 PolarHBondContact O-N 3.49Å; E145-M147 VanDerWaalsContact C-N 3.3Å; E145-M147 PolarHBondContact O-N 3.41Å; E145-V149 HydrophobicContact CB-CB 4.21Å; E145-V149 HydrophobicContact CB-CG2 4.41Å; E145-V149 HydrophobicContact CG-CB 4.4Å; E145-V149 HydrophobicContact CG-CG2 4.24Å; E145-V149 CarbonylContact O-C 3.58Å; E145-V149 WeakPolarHBondContact O-CA 3.37Å; E145-V149 WeakPolarHBondContact O-CB 3.35Å; E145-V149 PolarHBondContact O-N 2.92Å; E145-H150 PolarHBondContact O-N 3.05Å; E145-Y210 HydrophobicContact CG-CD2 4Å; E145-Y210 HydrophobicContact CG-CE2 4.36Å; E145-Y210 VanDerWaalsContact OE1-CD2 3.31Å; E145-Y210 WeakPolarHBondContact OE1-CD2 3.17Å; E145-H213 VanDerWaalsContact CD-ND1 3.3Å; E145-H213 IonicContact OE1-ND1 2.73Å; E145-H213 IonicContact OE2-CE1 3.75Å; E145-H213 PolarHBondContact OE2-CE1 3.36Å; E145-H213 IonicContact OE2-CG 3.45Å; E145-H213 IonicContact OE2-ND1 2.6Å; E145-H213 PolarHBondContact OE2-ND1 2.89Å
146T96.1Very high91.7Very high0 Ų055.7 Ų55.70%028%0.275CS..Iπ-helixtrans-60.7-39.5177-63.20000112.7K89 F92 I93 R142 L143 Y144K89-T146 WeakPolarHBondContact CE-O 3.38Å; K89-T146 HydrophobicContact CG-CG2 4.14Å; F92-T146 HydrophobicContact CB-CG2 3.58Å; F92-T146 HydrophobicContact CD2-CG2 4.4Å; I93-T146 HydrophobicContact CG1-CG2 4.06Å; R142-T146 WeakPolarHBondContact O-CB 3.39Å; R142-T146 PolarHBondContact O-N 2.96Å; R142-T146 PolarHBondContact O-OG1 3.49Å; L143-T146 WeakPolarHBondContact O-CB 3.42Å; L143-T146 PolarHBondContact O-N 3.26Å; Y144-T146 VanDerWaalsContact C-N 3.28Å; Y144-T146 PolarHBondContact O-N 2.73Å
147M95.3Very high91.4Very high74 Ų7453.8 Ų53.837%0.36526%0.263SS..Iπ-helixtrans-78.6-42.6-176.7-73.9-59.7-70.800112.5K89 I93 L143 Y144 E145K89-M147 HydrophobicContact CD-SD 4.09Å; K89-M147 HydrophobicContact CG-SD 4.47Å; K89-M147 PolarHBondContact NZ-O 3.38Å; I93-M147 HydrophobicContact CD1-SD 3.7Å; I93-M147 HydrophobicContact CG1-SD 4.4Å; L143-M147 WeakPolarHBondContact O-CG 3.3Å; L143-M147 PolarHBondContact O-N 2.73Å; Y144-M147 PolarHBondContact O-N 3.36Å; Y144-M147 VanDerWaalsContact O-N 3.12Å; E145-M147 VanDerWaalsContact C-N 3.3Å; E145-M147 PolarHBondContact O-N 3.41Å
148W95.1Very high91.1Very high159 Ų15950.4 Ų50.460%0.60225%0.253SS*.Iπ-helixtrans-121.9-20.6-164.8-61.8-74.4000115.6Y144Y144-W148 HydrophobicContact CD2-CD2 4.16Å; Y144-W148 AromaticContact CD2-CE3 3.17Å; Y144-W148 HydrophobicContact CD2-CE3 3.17Å; Y144-W148 AromaticContact CD2-CZ3 3.56Å; Y144-W148 HydrophobicContact CD2-CZ3 3.56Å; Y144-W148 HydrophobicContact CE2-CB 4.47Å; Y144-W148 HydrophobicContact CE2-CD2 4.22Å; Y144-W148 AromaticContact CE2-CE3 3.66Å; Y144-W148 HydrophobicContact CE2-CE3 3.66Å; Y144-W148 HydrophobicContact CE2-CZ3 4.33Å; Y144-W148 AromaticContact CG-CE3 3.75Å; Y144-W148 HydrophobicContact CG-CE3 3.75Å; Y144-W148 HydrophobicContact CG-CZ3 4.17Å; Y144-W148 PolarHBondContact O-N 3.21Å
149V94.5Very high90.9Very high10 Ų1054.4 Ų54.46%0.06127%0.27CS..Iπ-helixtrans-103.5-51.1-176.7-177.30000111.5Y144 E145 R151 Y210 H213 V214 S217Y144-V149 HydrophobicContact CD1-CG2 4.27Å; Y144-V149 HydrophobicContact CE1-CG2 3.81Å; E145-V149 HydrophobicContact CB-CB 4.21Å; E145-V149 HydrophobicContact CB-CG2 4.41Å; E145-V149 HydrophobicContact CG-CB 4.4Å; E145-V149 HydrophobicContact CG-CG2 4.24Å; E145-V149 CarbonylContact O-C 3.58Å; E145-V149 WeakPolarHBondContact O-CA 3.37Å; E145-V149 WeakPolarHBondContact O-CB 3.35Å; E145-V149 PolarHBondContact O-N 2.92Å; V149-R151 PolarHBondContact O-N 2.95Å; V149-Y210 HydrophobicContact CG2-CE2 4.19Å; V149-H213 HydrophobicContact CG1-CB 4.3Å; V149-V214 HydrophobicContact CG1-CG2 4.01Å; V149-S217 WeakPolarHBondContact O-CB 3.35Å
150H91.9Very high90.7Very high34 Ų3459.1 Ų59.116%0.15730%0.299CS..  trans-64.9130.8-174.1-71.3-34.6000112.6E145 F152 H213E145-H150 PolarHBondContact O-N 3.05Å; H150-F152 HydrophobicContact CB-CE1 4.37Å; H150-F152 HydrophobicContact CB-CE2 3.83Å; H150-F152 HydrophobicContact CB-CZ 3.76Å; H150-H213 AromaticContact CE1-CD2 3.87Å; H150-H213 AromaticContact CE1-CE1 3.66Å; H150-H213 AromaticContact CE1-CG 3.58Å; H150-H213 AromaticContact CE1-ND1 3.45Å; H150-H213 PolarHBondContact CE1-ND1 2.83Å; H150-H213 AromaticContact CE1-NE2 3.91Å; H150-H213 AromaticContact NE2-CE1 3.98Å; H150-H213 AromaticContact NE2-ND1 3.95Å
151R85.9Confident90.5Very high145 Ų14560.2 Ų60.255%0.54730%0.299SS..  trans-112.5105.4168.6-57.6-61.1-175-166.7-2.1107.8V149 R220V149-R151 PolarHBondContact O-N 2.95Å; R151-R220 PolarHBondContact O-NH1 3.12Å
152F81.2Confident90.4Very high71 Ų7160.1 Ų60.131%0.31130%0.299SS..  trans-79.8138.6-177.4-60.5-82.6000111.8W88 K89 F92 H150W88-F152 HydrophobicContact CB-CB 4.47Å; W88-F152 HydrophobicContact CB-CD1 3.57Å; W88-F152 HydrophobicContact CB-CD2 4.47Å; W88-F152 HydrophobicContact CB-CE1 3.84Å; W88-F152 HydrophobicContact CB-CG 3.92Å; W88-F152 HydrophobicContact CB-CZ 4.4Å; W88-F152 HydrophobicContact CG-CD1 4.15Å; K89-F152 HydrophobicContact CB-CE2 4.14Å; F92-F152 AromaticContact CD2-CE1 3.69Å; F92-F152 HydrophobicContact CD2-CE1 3.69Å; F92-F152 AromaticContact CD2-CZ 3.57Å; F92-F152 HydrophobicContact CD2-CZ 3.57Å; F92-F152 AromaticContact CE2-CE1 3.45Å; F92-F152 HydrophobicContact CE2-CE1 3.45Å; F92-F152 VanDerWaalsContact CE2-CE1 3.45Å; F92-F152 AromaticContact CE2-CZ 3.82Å; F92-F152 HydrophobicContact CE2-CZ 3.82Å; F92-F152 HydrophobicContact CG-CZ 4.43Å; F92-F152 HydrophobicContact CZ-CE1 4.18Å; H150-F152 HydrophobicContact CB-CE1 4.37Å; H150-F152 HydrophobicContact CB-CE2 3.83Å; H150-F152 HydrophobicContact CB-CZ 3.76Å
153S68.8Low90.3Very high53 Ų5365.5 Ų65.537%0.37132%0.323SS..SBendtrans-93-40.8178.139.70000112.8R220S153-R220 VanDerWaalsContact CB-NH2 3.34Å; S153-R220 PolarHBondContact OG-NH1 2.85Å; S153-R220 PolarHBondContact OG-NH2 3.28Å; S153-R220 VanDerWaalsContact OG-NH2 3.08Å
154H69.4Low90.1Very high132 Ų13270.3 Ų70.361%0.61134%0.343SS*.SBendtrans-89.8137.7168.4-64.5-67.4000107.9
155A73.2Confident90Very high78 Ų7866.6 Ų66.665%0.64533%0.33SS*.  trans-74.1-36.4-177.100000111.7G87 W88G87-A155 WeakPolarHBondContact CA-O 3.25Å; W88-A155 PolarHBondContact N-O 2.84Å; W88-A155 VanDerWaalsContact N-O 3.1Å
156T90.6Very high90Very high35 Ų3567.4 Ų67.422%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-138.7164.9-166.263.80000115.6A44 Q85 I86 W88A44-T156 HydrophobicContact CB-CG2 3.92Å; Q85-T156 HydrophobicContact CB-CG2 4Å; Q85-T156 PolarHBondContact OE1-OG1 3.35Å; I86-T156 CarbonylContact O-C 3.42Å; I86-T156 WeakPolarHBondContact O-CA 3.49Å; I86-T156 VanDerWaalsContact O-CB 3.28Å; I86-T156 WeakPolarHBondContact O-CB 3.32Å; W88-T156 VanDerWaalsContact NE1-C 3.32Å; W88-T156 PolarHBondContact NE1-O 3.49Å
157M91.4Very high90Very high8 Ų871 Ų714%0.03936%0.358CS..EExtended strand (participates in β ladder)trans-122.6149.7169.1-174.4178.975.900109.2Q85 I86 W88 V91 F159 N161 L162Q85-M157 VanDerWaalsContact OE1-C 3.25Å; Q85-M157 PolarHBondContact OE1-O 3.45Å; I86-M157 PolarHBondContact N-O 3.47Å; I86-M157 PolarHBondContact O-N 3.17Å; W88-M157 HydrophobicContact CD2-CB 4.41Å; W88-M157 HydrophobicContact CH2-CB 4.12Å; W88-M157 HydrophobicContact CH2-CG 4.06Å; W88-M157 HydrophobicContact CH2-SD 3.7Å; W88-M157 HydrophobicContact CZ2-CB 3.84Å; W88-M157 HydrophobicContact CZ2-CG 4.1Å; W88-M157 HydrophobicContact CZ2-SD 4.35Å; W88-M157 HydrophobicContact CZ3-SD 3.96Å; V91-M157 HydrophobicContact CG1-CE 3.76Å; V91-M157 HydrophobicContact CG1-SD 4.48Å; V91-M157 HydrophobicContact CG2-CB 4.44Å; V91-M157 HydrophobicContact CG2-CE 3.97Å; M157-F159 PolarHBondContact O-N 2.97Å; M157-N161 HydrophobicContact CE-CB 3.35Å; M157-N161 HydrophobicContact CG-CB 3.94Å; M157-N161 HydrophobicContact SD-CB 3.52Å; M157-N161 VanDerWaalsContact SD-CB 3.52Å; M157-L162 HydrophobicContact CE-CB 4.39Å; M157-L162 VanDerWaalsContact CE-N 3.28Å
158P93.2Very high90.1Very high50 Ų5070.2 Ų70.233%0.32535%0.351SS..EExtended strand (participates in β ladder)trans-53.3130.2167.2-26.835.2000111.9T160 N161P158-T160 PolarHBondContact O-N 2.98Å; P158-N161 WeakPolarHBondContact O-CB 3.49Å; P158-N161 PolarHBondContact O-N 3.34Å
159F94.1Very high90.3Very high86 Ų8664.4 Ų64.438%0.37733%0.329SS..THydrogen-bonded Turntrans-57.9-35.1-174-179-105.8000113.2P84 I86 M157 N161 L162 F163P84-F159 HydrophobicContact CB-CB 3.99Å; P84-F159 WeakPolarHBondContact O-CB 3.34Å; P84-F159 PolarHBondContact O-N 2.94Å; I86-F159 HydrophobicContact CB-CD2 4.2Å; I86-F159 HydrophobicContact CD1-CD2 4.41Å; I86-F159 HydrophobicContact CD1-CE2 4.48Å; I86-F159 HydrophobicContact CG2-CD2 4.3Å; M157-F159 PolarHBondContact O-N 2.97Å; F159-N161 PolarHBondContact O-N 2.98Å; F159-L162 HydrophobicContact CD2-CD2 4.32Å; F159-L162 HydrophobicContact CE2-CD2 3.85Å; F159-L162 HydrophobicContact CZ-CD2 4.47Å; F159-L162 WeakPolarHBondContact O-CB 3.5Å; F159-L162 PolarHBondContact O-N 2.76Å; F159-F163 HydrophobicContact CD1-CE2 4.1Å; F159-F163 AromaticContact CE1-CE2 3.57Å; F159-F163 HydrophobicContact CE1-CE2 3.57Å; F159-F163 AromaticContact CE1-CZ 3.87Å; F159-F163 HydrophobicContact CE1-CZ 3.87Å; F159-F163 HydrophobicContact CZ-CE2 4.11Å; F159-F163 HydrophobicContact CZ-CZ 4.07Å
160T93.7Very high90.5Very high100 Ų10069 Ų6961%0.61335%0.346SS*.Hα-helixtrans-60.7-29.6178.551.80000113.4P158 L162 F163P158-T160 PolarHBondContact O-N 2.98Å; T160-L162 PolarHBondContact O-N 3.2Å; T160-F163 PolarHBondContact O-N 2.89Å
161N94.5Very high90.8Very high66 Ų6672.8 Ų72.835%0.35337%0.366SS..Hα-helixtrans-70.7-19.2177.2-71.9-12000112.4M157 P158 F159 F163 K164 N165M157-N161 HydrophobicContact CE-CB 3.35Å; M157-N161 HydrophobicContact CG-CB 3.94Å; M157-N161 HydrophobicContact SD-CB 3.52Å; M157-N161 VanDerWaalsContact SD-CB 3.52Å; P158-N161 WeakPolarHBondContact O-CB 3.49Å; P158-N161 PolarHBondContact O-N 3.34Å; F159-N161 PolarHBondContact O-N 2.98Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 PolarHBondContact O-N 3.35Å; N161-K164 WeakPolarHBondContact O-CB 3.44Å; N161-K164 PolarHBondContact O-N 2.58Å; N161-N165 PolarHBondContact O-N 2.77Å; N161-N165 PolarHBondContact O-OD1 3.39Å
162L96.2Very high91.4Very high14 Ų1467.3 Ų67.37%0.07335%0.347CS..Hα-helixtrans-58-47.4176.5178.265.4000110.3I86 V91 L94 M157 F159 T160 K164 N165 C166I86-L162 HydrophobicContact CD1-CD2 3.86Å; V91-L162 HydrophobicContact CB-CD1 4.44Å; V91-L162 HydrophobicContact CG1-CD1 4.2Å; V91-L162 HydrophobicContact CG2-CD1 4.34Å; L94-L162 HydrophobicContact CB-CD1 4.26Å; L94-L162 HydrophobicContact CD1-CD1 4.12Å; L94-L162 HydrophobicContact CD1-CD2 4.02Å; M157-L162 HydrophobicContact CE-CB 4.39Å; M157-L162 VanDerWaalsContact CE-N 3.28Å; F159-L162 HydrophobicContact CD2-CD2 4.32Å; F159-L162 HydrophobicContact CE2-CD2 3.85Å; F159-L162 HydrophobicContact CZ-CD2 4.47Å; F159-L162 WeakPolarHBondContact O-CB 3.5Å; F159-L162 PolarHBondContact O-N 2.76Å; T160-L162 PolarHBondContact O-N 3.2Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 2.68Å; L162-N165 PolarHBondContact O-N 3.34Å; L162-C166 WeakPolarHBondContact O-CB 3.39Å; L162-C166 PolarHBondContact O-N 3.04Å; L162-C166 PolarHBondContact O-SG 3.33Å
163F96.4Very high92.2Very high123 Ų12364 Ų6454%0.53933%0.332SS..Hα-helixtrans-61.9-39.5179.1-62.1-74000111.8F159 T160 N161 T167F159-F163 HydrophobicContact CD1-CE2 4.1Å; F159-F163 AromaticContact CE1-CE2 3.57Å; F159-F163 HydrophobicContact CE1-CE2 3.57Å; F159-F163 AromaticContact CE1-CZ 3.87Å; F159-F163 HydrophobicContact CE1-CZ 3.87Å; F159-F163 HydrophobicContact CZ-CE2 4.11Å; F159-F163 HydrophobicContact CZ-CZ 4.07Å; T160-F163 PolarHBondContact O-N 2.89Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 PolarHBondContact O-N 3.35Å; F163-T167 WeakPolarHBondContact O-CB 3.27Å; F163-T167 PolarHBondContact O-N 2.91Å; F163-T167 PolarHBondContact O-OG1 3.03Å
164K94.9Very high93.6Very high132 Ų13262.6 Ų62.657%0.57432%0.324SS*.Hα-helixtrans-60.8-48.3175.7-176.1-176.6175.1-175.10111.3N161 L162 Y168N161-K164 WeakPolarHBondContact O-CB 3.44Å; N161-K164 PolarHBondContact O-N 2.58Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 2.68Å; K164-Y168 PolarHBondContact O-N 3.26Å; K164-Y168 VanDerWaalsContact O-N 3.1Å
165N95.5Very high95Very high28 Ų2860.1 Ų60.115%0.1531%0.311CS..Hα-helixtrans-64.7-51.5179.9-73.614.6000111.5E95 N161 L162 T167 Y168 Y169E95-N165 PolarHBondContact OE2-ND2 3.49Å; E95-N165 VanDerWaalsContact OE2-ND2 3.11Å; N161-N165 PolarHBondContact O-N 2.77Å; N161-N165 PolarHBondContact O-OD1 3.39Å; L162-N165 PolarHBondContact O-N 3.34Å; N165-T167 VanDerWaalsContact C-N 3.34Å; N165-T167 PolarHBondContact O-N 3.27Å; N165-Y168 WeakPolarHBondContact O-CB 3.5Å; N165-Y168 PolarHBondContact O-N 3.44Å; N165-Y169 VanDerWaalsContact O-CD2 3.26Å; N165-Y169 WeakPolarHBondContact O-CD2 3.17Å; N165-Y169 PolarHBondContact O-N 3.04Å
166C97.6Very high96.2Very high18 Ų1856.4 Ų56.412%0.12228%0.281CS..Hα-helixtrans-60.4-43.7178.9-69.90000111.2L162 Y168 Y169 W170L162-C166 WeakPolarHBondContact O-CB 3.39Å; L162-C166 PolarHBondContact O-N 3.04Å; L162-C166 PolarHBondContact O-SG 3.33Å; C166-Y168 VanDerWaalsContact C-N 3.33Å; C166-Y168 PolarHBondContact O-N 2.97Å; C166-Y169 PolarHBondContact O-N 3.4Å; C166-W170 HydrophobicContact CB-CD2 4.5Å; C166-W170 WeakPolarHBondContact O-CB 3.12Å; C166-W170 PolarHBondContact O-N 2.78Å
167T97.5Very high96.5Very high75 Ų7554.7 Ų54.746%0.4627%0.27SS..Hα-helixtrans-56.9-47.1176.6-61.40000111.1F163 N165 L171F163-T167 WeakPolarHBondContact O-CB 3.27Å; F163-T167 PolarHBondContact O-N 2.91Å; F163-T167 PolarHBondContact O-OG1 3.03Å; N165-T167 VanDerWaalsContact C-N 3.34Å; N165-T167 PolarHBondContact O-N 3.27Å; T167-L171 HydrophobicContact CG2-CD1 3.51Å; T167-L171 HydrophobicContact CG2-CG 4.1Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 VanDerWaalsContact O-CG 3.24Å; T167-L171 WeakPolarHBondContact O-CG 3.48Å; T167-L171 PolarHBondContact O-N 3.49Å
168Y97Very high96.7Very high57 Ų5757.4 Ų57.422%0.22428%0.282CS..Hα-helixtrans-57.3-58.4176.4171.6-99.6000111.5K164 N165 C166 F172 F271 C274 G275K164-Y168 PolarHBondContact O-N 3.26Å; K164-Y168 VanDerWaalsContact O-N 3.1Å; N165-Y168 WeakPolarHBondContact O-CB 3.5Å; N165-Y168 PolarHBondContact O-N 3.44Å; C166-Y168 VanDerWaalsContact C-N 3.33Å; C166-Y168 PolarHBondContact O-N 2.97Å; Y168-F172 AromaticContact CD2-CD2 3.56Å; Y168-F172 HydrophobicContact CD2-CD2 3.56Å; Y168-F172 AromaticContact CD2-CE2 3.59Å; Y168-F172 HydrophobicContact CD2-CE2 3.59Å; Y168-F172 AromaticContact CE2-CD2 3.47Å; Y168-F172 HydrophobicContact CE2-CD2 3.47Å; Y168-F172 VanDerWaalsContact CE2-CD2 3.47Å; Y168-F172 AromaticContact CE2-CE2 3.38Å; Y168-F172 HydrophobicContact CE2-CE2 3.38Å; Y168-F172 HydrophobicContact CE2-CZ 4.49Å; Y168-F172 HydrophobicContact CG-CD2 4.28Å; Y168-F172 WeakPolarHBondContact O-CB 3.32Å; Y168-F172 WeakPolarHBondContact O-CD2 3.43Å; Y168-F172 PolarHBondContact O-N 3.04Å; Y168-F172 VanDerWaalsContact O-N 3.09Å; Y168-F271 HydrophobicContact CE1-CD2 4.1Å; Y168-F271 AromaticContact CE1-CE2 3.59Å; Y168-F271 HydrophobicContact CE1-CE2 3.59Å; Y168-F271 HydrophobicContact CE2-CD2 4.39Å; Y168-F271 AromaticContact CZ-CD2 3.68Å; Y168-F271 AromaticContact CZ-CE2 3.65Å; Y168-F271 VanDerWaalsContact OH-CD2 3.25Å; Y168-F271 WeakPolarHBondContact OH-CD2 3.34Å; Y168-F271 WeakPolarHBondContact OH-CE2 3.37Å; Y168-F271 PolarHBondContact OH-O 3.04Å; Y168-C274 HydrophobicContact CE2-CB 3.86Å; Y168-G275 VanDerWaalsContact OH-CA 3.27Å; Y168-G275 WeakPolarHBondContact OH-CA 3.3Å; Y168-G275 PolarHBondContact OH-N 3.14Å; Y168-G275 VanDerWaalsContact OH-N 3.13Å
169Y98Very high96.8Very high38 Ų3858.5 Ų58.515%0.14928%0.282CS..Hα-helixtrans-66.2-43.6-174.2-77.7-68.9000112.8E95 Y96 Y139 N165 C166 A173 F271E95-Y169 HydrophobicContact CB-CD2 3.9Å; E95-Y169 HydrophobicContact CB-CE2 4.37Å; E95-Y169 HydrophobicContact CG-CD2 3.95Å; E95-Y169 HydrophobicContact CG-CE2 3.99Å; Y96-Y169 HydrophobicContact CE1-CE1 4.39Å; Y96-Y169 HydrophobicContact CE1-CE2 4.46Å; Y139-Y169 HydrophobicContact CE1-CD1 4.24Å; N165-Y169 VanDerWaalsContact O-CD2 3.26Å; N165-Y169 WeakPolarHBondContact O-CD2 3.17Å; N165-Y169 PolarHBondContact O-N 3.04Å; C166-Y169 PolarHBondContact O-N 3.4Å; Y169-A173 VanDerWaalsContact O-CB 3.27Å; Y169-A173 WeakPolarHBondContact O-CB 3.47Å; Y169-A173 PolarHBondContact O-N 2.94Å; Y169-F271 HydrophobicContact CD1-CE2 4.31Å; Y169-F271 HydrophobicContact CE1-CE2 4.44Å; Y169-F271 HydrophobicContact CE1-CZ 4.49Å
170W98.5Very high96.9Very high107 Ų10754.4 Ų54.441%0.40526%0.264SS..Hα-helixtrans-74.3-41.9-173.6-65.227.4000111.4L94 I102 C166 A173 A174L94-W170 WeakPolarHBondContact O-CZ2 3.31Å; L94-W170 PolarHBondContact O-NE1 3.32Å; L94-W170 VanDerWaalsContact O-NE1 3.09Å; I102-W170 HydrophobicContact CD1-CB 3.61Å; I102-W170 HydrophobicContact CD1-CD2 4.03Å; I102-W170 HydrophobicContact CD1-CE3 4.07Å; I102-W170 HydrophobicContact CD1-CG 3.86Å; C166-W170 HydrophobicContact CB-CD2 4.5Å; C166-W170 WeakPolarHBondContact O-CB 3.12Å; C166-W170 PolarHBondContact O-N 2.78Å; W170-A173 WeakPolarHBondContact O-CB 3.15Å; W170-A173 PolarHBondContact O-N 2.95Å; W170-A174 PolarHBondContact O-N 3.32Å
171L98.3Very high96.9Very high113 Ų11349.6 Ų49.659%0.59224%0.235SC*.Hα-helixtrans-69.3-40.7177-66-175000111.6T167 A173 A174 F175T167-L171 HydrophobicContact CG2-CD1 3.51Å; T167-L171 HydrophobicContact CG2-CG 4.1Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 VanDerWaalsContact O-CG 3.24Å; T167-L171 WeakPolarHBondContact O-CG 3.48Å; T167-L171 PolarHBondContact O-N 3.49Å; L171-A173 VanDerWaalsContact C-N 3.31Å; L171-A173 PolarHBondContact O-N 2.79Å; L171-A174 PolarHBondContact O-N 3.21Å; L171-F175 WeakPolarHBondContact O-CB 3.33Å; L171-F175 PolarHBondContact O-N 3.12Å
172F98.5Very high96.9Very high30 Ų3048.6 Ų48.613%0.13223%0.228CC..Hα-helixtrans-65.8-35.4173.3-86.7-67.9000112Y168 A174 F175 V176 M270 F271 C274Y168-F172 AromaticContact CD2-CD2 3.56Å; Y168-F172 HydrophobicContact CD2-CD2 3.56Å; Y168-F172 AromaticContact CD2-CE2 3.59Å; Y168-F172 HydrophobicContact CD2-CE2 3.59Å; Y168-F172 AromaticContact CE2-CD2 3.47Å; Y168-F172 HydrophobicContact CE2-CD2 3.47Å; Y168-F172 VanDerWaalsContact CE2-CD2 3.47Å; Y168-F172 AromaticContact CE2-CE2 3.38Å; Y168-F172 HydrophobicContact CE2-CE2 3.38Å; Y168-F172 HydrophobicContact CE2-CZ 4.49Å; Y168-F172 HydrophobicContact CG-CD2 4.28Å; Y168-F172 WeakPolarHBondContact O-CB 3.32Å; Y168-F172 WeakPolarHBondContact O-CD2 3.43Å; Y168-F172 PolarHBondContact O-N 3.04Å; Y168-F172 VanDerWaalsContact O-N 3.09Å; F172-A174 PolarHBondContact O-N 2.96Å; F172-F175 HydrophobicContact CD1-CD1 4.17Å; F172-F175 HydrophobicContact CE1-CD1 4.23Å; F172-F175 PolarHBondContact O-N 3.39Å; F172-V176 VanDerWaalsContact O-CB 3.26Å; F172-V176 WeakPolarHBondContact O-CB 3.36Å; F172-V176 WeakPolarHBondContact O-CG2 3.28Å; F172-V176 PolarHBondContact O-N 2.8Å; F172-M270 HydrophobicContact CE1-CB 4.03Å; F172-F271 HydrophobicContact CB-CB 4.29Å; F172-F271 HydrophobicContact CB-CD2 3.56Å; F172-F271 HydrophobicContact CB-CE2 4.24Å; F172-F271 HydrophobicContact CB-CG 4.2Å; F172-F271 HydrophobicContact CD1-CB 3.59Å; F172-F271 HydrophobicContact CD1-CD2 4.22Å; F172-F271 HydrophobicContact CD1-CG 4.36Å; F172-F271 AromaticContact CD2-CD2 3.95Å; F172-F271 HydrophobicContact CD2-CD2 3.95Å; F172-F271 HydrophobicContact CE1-CB 4Å; F172-F271 HydrophobicContact CG-CB 3.95Å; F172-F271 AromaticContact CG-CD2 3.66Å; F172-F271 HydrophobicContact CG-CD2 3.66Å; F172-F271 HydrophobicContact CG-CG 4.23Å; F172-C274 HydrophobicContact CE2-CB 4.4Å; F172-C274 HydrophobicContact CZ-CB 4.4Å
173A98.6Very high96.7Very high0 Ų049.3 Ų49.30%023%0.234CC..Hα-helixtrans-58.4-49172.100000111.8P99 I102 W135 Y169 W170 L171 S177P99-A173 HydrophobicContact CB-CB 3.88Å; P99-A173 HydrophobicContact CG-CB 4.19Å; I102-A173 HydrophobicContact CB-CB 4.18Å; I102-A173 HydrophobicContact CG2-CB 3.98Å; W135-A173 HydrophobicContact CH2-CB 4.42Å; W135-A173 VanDerWaalsContact CZ2-CA 3.46Å; W135-A173 HydrophobicContact CZ2-CB 3.59Å; Y169-A173 VanDerWaalsContact O-CB 3.27Å; Y169-A173 WeakPolarHBondContact O-CB 3.47Å; Y169-A173 PolarHBondContact O-N 2.94Å; W170-A173 WeakPolarHBondContact O-CB 3.15Å; W170-A173 PolarHBondContact O-N 2.95Å; L171-A173 VanDerWaalsContact C-N 3.31Å; L171-A173 PolarHBondContact O-N 2.79Å; A173-S177 WeakPolarHBondContact O-CB 3.4Å; A173-S177 PolarHBondContact O-N 3.34Å; A173-S177 PolarHBondContact O-OG 3.16Å
174A98.1Very high96.5Very high24 Ų2450.2 Ų50.220%0.19824%0.238CC..Hα-helixtrans-62.6-46.6176.100000111.7I102 F106 W170 L171 F172 S177 F178I102-A174 HydrophobicContact CG2-CB 3.92Å; F106-A174 HydrophobicContact CE2-CB 3.75Å; F106-A174 HydrophobicContact CZ-CB 3.9Å; W170-A174 PolarHBondContact O-N 3.32Å; L171-A174 PolarHBondContact O-N 3.21Å; F172-A174 PolarHBondContact O-N 2.96Å; A174-S177 PolarHBondContact O-OG 3.48Å; A174-F178 WeakPolarHBondContact O-CB 3.46Å; A174-F178 PolarHBondContact O-N 3.26Å
175F98.1Very high96.4Very high80 Ų8045.1 Ų45.135%0.35122%0.215SC..Hα-helixtrans-65-46.5-176.1-174.2-146.9000112.2L171 F172 H179 P267 M270L171-F175 WeakPolarHBondContact O-CB 3.33Å; L171-F175 PolarHBondContact O-N 3.12Å; F172-F175 HydrophobicContact CD1-CD1 4.17Å; F172-F175 HydrophobicContact CE1-CD1 4.23Å; F172-F175 PolarHBondContact O-N 3.39Å; F175-H179 AromaticContact CD2-CE1 3.41Å; F175-H179 VanDerWaalsContact CD2-CE1 3.41Å; F175-H179 WeakPolarHBondContact CD2-CE1 3.28Å; F175-H179 AromaticContact CD2-ND1 3.63Å; F175-H179 AromaticContact CE2-CE1 3.21Å; F175-H179 WeakPolarHBondContact CE2-CE1 3.34Å; F175-H179 AromaticContact CE2-ND1 3.78Å; F175-H179 PolarHBondContact O-N 3.46Å; F175-H179 PolarHBondContact O-ND1 3.39Å; F175-P267 HydrophobicContact CD1-CB 3.7Å; F175-P267 HydrophobicContact CD1-CG 4.24Å; F175-P267 HydrophobicContact CD2-CB 4.3Å; F175-P267 HydrophobicContact CD2-CG 4.18Å; F175-P267 HydrophobicContact CE1-CB 3.71Å; F175-P267 HydrophobicContact CE1-CG 3.89Å; F175-P267 HydrophobicContact CE2-CB 4.33Å; F175-P267 HydrophobicContact CE2-CG 3.84Å; F175-P267 HydrophobicContact CG-CB 3.99Å; F175-P267 HydrophobicContact CG-CG 4.37Å; F175-P267 HydrophobicContact CZ-CB 4.04Å; F175-P267 HydrophobicContact CZ-CG 3.68Å; F175-M270 HydrophobicContact CE1-CE 4.17Å; F175-M270 HydrophobicContact CE1-SD 3.98Å; F175-M270 HydrophobicContact CZ-SD 4.43Å
176V98.4Very high96.2Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-67-48.6177.4175.10000110.8Y103 W135 F172 F178 H179 I180 F259 P267 A268 F271Y103-V176 HydrophobicContact CE2-CG1 4.35Å; W135-V176 HydrophobicContact CE3-CG1 4.4Å; W135-V176 HydrophobicContact CH2-CB 4.22Å; W135-V176 HydrophobicContact CH2-CG1 4.41Å; W135-V176 HydrophobicContact CH2-CG2 4.44Å; W135-V176 HydrophobicContact CZ3-CB 4.09Å; W135-V176 HydrophobicContact CZ3-CG1 3.78Å; W135-V176 HydrophobicContact CZ3-CG2 4.4Å; F172-V176 VanDerWaalsContact O-CB 3.26Å; F172-V176 WeakPolarHBondContact O-CB 3.36Å; F172-V176 WeakPolarHBondContact O-CG2 3.28Å; F172-V176 PolarHBondContact O-N 2.8Å; V176-F178 PolarHBondContact O-N 2.97Å; V176-H179 PolarHBondContact O-N 3.16Å; V176-I180 HydrophobicContact CG1-CD1 3.51Å; V176-I180 HydrophobicContact CG1-CG1 4.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.31Å; V176-I180 PolarHBondContact O-N 2.81Å; V176-F259 HydrophobicContact CG1-CE1 4.13Å; V176-P267 HydrophobicContact CG2-CB 4.02Å; V176-A268 HydrophobicContact CG1-CB 4.05Å; V176-A268 HydrophobicContact CG2-CB 4.35Å; V176-F271 HydrophobicContact CG2-CB 4.38Å
177S97.4Very high95.7Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-66.1-36.8-177.465.50000112.5F106 A173 A174 H179 N181F106-S177 WeakPolarHBondContact CB-OG 3.15Å; F106-S177 WeakPolarHBondContact CD2-OG 3.5Å; F106-S177 VanDerWaalsContact CG-OG 3.24Å; F106-S177 WeakPolarHBondContact CG-OG 3.47Å; A173-S177 WeakPolarHBondContact O-CB 3.4Å; A173-S177 PolarHBondContact O-N 3.34Å; A173-S177 PolarHBondContact O-OG 3.16Å; A174-S177 PolarHBondContact O-OG 3.48Å; S177-H179 VanDerWaalsContact C-N 3.34Å; S177-H179 PolarHBondContact O-N 3.33Å; S177-N181 WeakPolarHBondContact O-CB 3.29Å; S177-N181 PolarHBondContact O-N 3.32Å; S177-N181 PolarHBondContact O-ND2 2.67Å
178F95.8Very high95.1Very high64 Ų6448 Ų4828%0.28124%0.235SC..Hα-helixtrans-57-47.6174.2176.8-98.5000111.6F106 Y114 A174 V176 H182F106-F178 HydrophobicContact CD1-CB 3.79Å; F106-F178 HydrophobicContact CD1-CD2 4.03Å; F106-F178 HydrophobicContact CD1-CG 4.43Å; F106-F178 HydrophobicContact CE1-CB 3.79Å; F106-F178 AromaticContact CE1-CD2 3.85Å; F106-F178 HydrophobicContact CE1-CD2 3.85Å; F106-F178 HydrophobicContact CE1-CG 4.29Å; Y114-F178 HydrophobicContact CD1-CE2 4.22Å; Y114-F178 AromaticContact CE1-CD2 3.81Å; Y114-F178 HydrophobicContact CE1-CD2 3.81Å; Y114-F178 AromaticContact CE1-CE2 3.85Å; Y114-F178 HydrophobicContact CE1-CE2 3.85Å; Y114-F178 PolarHBondContact OH-O 2.91Å; A174-F178 WeakPolarHBondContact O-CB 3.46Å; A174-F178 PolarHBondContact O-N 3.26Å; V176-F178 PolarHBondContact O-N 2.97Å; F178-H182 AromaticContact CZ-CD2 3.72Å; F178-H182 WeakPolarHBondContact O-CB 3.33Å; F178-H182 PolarHBondContact O-N 2.88Å
179H95.7Very high94Very high73 Ų7351.5 Ų51.534%0.33825%0.253SS..Hα-helixtrans-73.7-42.8-176-71.779.3000112.8F175 V176 S177 N181 H182 P267F175-H179 AromaticContact CD2-CE1 3.41Å; F175-H179 VanDerWaalsContact CD2-CE1 3.41Å; F175-H179 WeakPolarHBondContact CD2-CE1 3.28Å; F175-H179 AromaticContact CD2-ND1 3.63Å; F175-H179 AromaticContact CE2-CE1 3.21Å; F175-H179 WeakPolarHBondContact CE2-CE1 3.34Å; F175-H179 AromaticContact CE2-ND1 3.78Å; F175-H179 PolarHBondContact O-N 3.46Å; F175-H179 PolarHBondContact O-ND1 3.39Å; V176-H179 PolarHBondContact O-N 3.16Å; S177-H179 VanDerWaalsContact C-N 3.34Å; S177-H179 PolarHBondContact O-N 3.33Å; H179-N181 VanDerWaalsContact C-N 3.33Å; H179-H182 WeakPolarHBondContact O-CB 3.29Å; H179-H182 PolarHBondContact O-N 3.2Å; H179-P267 HydrophobicContact CB-CG 4.13Å
180I96Very high92.8Very high0 Ų056.4 Ų56.40%028%0.275CS..Hα-helixtrans-68-37.4179.9-64.9174.6000110.9V128 A131 V176 Y185 F259 T263 C265V128-I180 HydrophobicContact CB-CG2 4.44Å; V128-I180 HydrophobicContact CG1-CG2 4.14Å; V128-I180 HydrophobicContact CG2-CG2 4.19Å; V128-I180 WeakPolarHBondContact CG2-O 3.5Å; A131-I180 HydrophobicContact CB-CD1 4.36Å; A131-I180 HydrophobicContact CB-CG2 3.89Å; V176-I180 HydrophobicContact CG1-CD1 3.51Å; V176-I180 HydrophobicContact CG1-CG1 4.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.31Å; V176-I180 PolarHBondContact O-N 2.81Å; I180-Y185 WeakPolarHBondContact O-CB 3.43Å; I180-Y185 VanDerWaalsContact O-CG 3.32Å; I180-F259 HydrophobicContact CD1-CE1 3.76Å; I180-F259 HydrophobicContact CD1-CZ 3.9Å; I180-T263 HydrophobicContact CD1-CG2 3.84Å; I180-C265 HydrophobicContact CD1-CB 4.18Å; I180-C265 HydrophobicContact CG1-CB 3.83Å
181N94.9Very high91.7Very high0 Ų053.3 Ų53.30%028%0.276CS..Hα-helixtrans-88.2-3-179.4-62-66000113.1F106 F107 R109 V128 S177 H179F106-N181 WeakPolarHBondContact O-CB 3.46Å; F107-N181 WeakPolarHBondContact CD2-OD1 3.41Å; R109-N181 PolarHBondContact NE-O 3.19Å; R109-N181 PolarHBondContact NH2-O 2.9Å; V128-N181 WeakPolarHBondContact CG1-OD1 3.39Å; S177-N181 WeakPolarHBondContact O-CB 3.29Å; S177-N181 PolarHBondContact O-N 3.32Å; S177-N181 PolarHBondContact O-ND2 2.67Å; H179-N181 VanDerWaalsContact C-N 3.33Å
182H93.5Very high91.1Very high44 Ų4451.8 Ų51.820%0.20428%0.275CS..SBendtrans-57.8142-179-159.8-93000111.9R109 Y114 F178 H179 F184 Y185R109-H182 PolarHBondContact NH2-O 3.37Å; Y114-H182 AromaticContact CD1-CD2 3.68Å; Y114-H182 HydrophobicContact CE1-CB 4.31Å; Y114-H182 AromaticContact CE1-CD2 3.74Å; F178-H182 AromaticContact CZ-CD2 3.72Å; F178-H182 WeakPolarHBondContact O-CB 3.33Å; F178-H182 PolarHBondContact O-N 2.88Å; H179-H182 WeakPolarHBondContact O-CB 3.29Å; H179-H182 PolarHBondContact O-N 3.2Å; H182-F184 AromaticContact CE1-CD2 3.32Å; H182-F184 WeakPolarHBondContact CE1-CD2 3.36Å; H182-F184 AromaticContact CE1-CE2 3.88Å; H182-F184 AromaticContact CE1-CG 3.88Å; H182-F184 AromaticContact ND1-CD2 3.67Å; H182-F184 AromaticContact ND1-CG 3.78Å; H182-F184 PolarHBondContact ND1-N 2.85Å; H182-F184 VanDerWaalsContact ND1-N 3.17Å; H182-F184 PolarHBondContact O-N 2.95Å; H182-F184 VanDerWaalsContact O-N 3.15Å; H182-Y185 VanDerWaalsContact O-CB 3.24Å; H182-Y185 WeakPolarHBondContact O-CB 3.49Å; H182-Y185 PolarHBondContact O-N 2.98Å
183P91.6Very high90.7Very high30 Ų3055.7 Ų55.720%0.19530%0.297CS..THydrogen-bonded Turntrans-54.2-30.5175.1-29.836.5000114.5Y114 Y118Y114-P183 VanDerWaalsContact CD1-CD 3.45Å; Y114-P183 HydrophobicContact CD1-CG 4.3Å; Y118-P183 HydrophobicContact CD1-CB 3.73Å; Y118-P183 HydrophobicContact CD1-CG 3.99Å; Y118-P183 HydrophobicContact CD2-CB 4Å; Y118-P183 HydrophobicContact CD2-CG 3.68Å; Y118-P183 HydrophobicContact CE1-CB 4.03Å; Y118-P183 HydrophobicContact CE2-CB 4.26Å; Y118-P183 HydrophobicContact CE2-CG 4.35Å; Y118-P183 HydrophobicContact CG-CB 3.72Å; Y118-P183 HydrophobicContact CG-CG 3.46Å; Y118-P183 VanDerWaalsContact CG-CG 3.46Å
184F91.7Very high90.3Very high141 Ų14159.8 Ų59.862%0.61831%0.312SS*.THydrogen-bonded Turntrans-939178-51.7-37.5000114.4Y118 H182 T186Y118-F184 HydrophobicContact CE2-CZ 4.31Å; Y118-F184 WeakPolarHBondContact OH-CE1 3.45Å; H182-F184 AromaticContact CE1-CD2 3.32Å; H182-F184 WeakPolarHBondContact CE1-CD2 3.36Å; H182-F184 AromaticContact CE1-CE2 3.88Å; H182-F184 AromaticContact CE1-CG 3.88Å; H182-F184 AromaticContact ND1-CD2 3.67Å; H182-F184 AromaticContact ND1-CG 3.78Å; H182-F184 PolarHBondContact ND1-N 2.85Å; H182-F184 VanDerWaalsContact ND1-N 3.17Å; H182-F184 PolarHBondContact O-N 2.95Å; H182-F184 VanDerWaalsContact O-N 3.15Å; F184-T186 PolarHBondContact O-N 3.26Å
185Y92.9Very high90.1Very high25 Ų2560 Ų6010%0.09831%0.31CS..PPolyproline II helixtrans-60.9123.3174.1173.2-94.7000110.3V127 V128 I180 H182 T263V127-Y185 HydrophobicContact CG1-CE1 3.57Å; V128-Y185 HydrophobicContact CG2-CD1 3.6Å; V128-Y185 HydrophobicContact CG2-CE1 3.69Å; V128-Y185 HydrophobicContact CG2-CG 4.45Å; I180-Y185 WeakPolarHBondContact O-CB 3.43Å; I180-Y185 VanDerWaalsContact O-CG 3.32Å; H182-Y185 VanDerWaalsContact O-CB 3.24Å; H182-Y185 WeakPolarHBondContact O-CB 3.49Å; H182-Y185 PolarHBondContact O-N 2.98Å; Y185-T263 WeakPolarHBondContact CE2-O 3.37Å; Y185-T263 PolarHBondContact OH-O 3.22Å
186T91.2Very high90Very high111 Ų11160.5 Ų60.568%0.68132%0.315SS*.PPolyproline II helixtrans-98.1131.2173.655.80000110F184F184-T186 PolarHBondContact O-N 3.26Å
187P87.2Confident89.8Confident58 Ų5865.6 Ų65.638%0.37734%0.342SS..PPolyproline II helixtrans-62.3162.2176.725.3-32.8000112.4V127 H189V127-P187 HydrophobicContact CG1-CB 4.12Å; P187-H189 PolarHBondContact O-N 2.93Å
188P86.4Confident89.8Confident13 Ų1365.7 Ų65.78%0.08434%0.342CS..PPolyproline II helixtrans-46.6131.7-179.7-31.635.8000114.6V127 G191 M262 Q264V127-P188 HydrophobicContact CG2-CG 4.36Å; P188-G191 PolarHBondContact O-N 2.89Å; P188-M262 WeakPolarHBondContact CG-O 3.45Å; P188-Q264 VanDerWaalsContact C-OE1 3.24Å; P188-Q264 HydrophobicContact CB-CG 3.88Å; P188-Q264 HydrophobicContact CG-CB 4.44Å; P188-Q264 HydrophobicContact CG-CG 4.16Å
189H73.6Confident89.9Confident130 Ų13064.9 Ų64.960%0.60234%0.34SS*.THydrogen-bonded Turntrans-64.7141.2169.3-165.659.3000109.4P187 R194 Q264P187-H189 PolarHBondContact O-N 2.93Å; H189-R194 VanDerWaalsContact O-CD 3.24Å; H189-R194 WeakPolarHBondContact O-CD 3.19Å; H189-R194 PolarHBondContact O-NE 3.18Å; H189-R194 PolarHBondContact O-NH1 2.94Å; H189-Q264 PolarHBondContact O-OE1 3.25Å
190F71.6Confident90Very high142 Ų14264.2 Ų64.262%0.62334%0.344SS*.THydrogen-bonded Turntrans72.416.5-167.3-53.4-92.5000116.4
191G75.7Confident90.2Very high42 Ų4264.8 Ų64.843%0.43335%0.35SS..THydrogen-bonded Turntrans71.9-148.7158.600000116.1P188 L193P188-G191 PolarHBondContact O-N 2.89Å; G191-L193 VanDerWaalsContact C-N 3.31Å; G191-L193 PolarHBondContact O-N 2.92Å
192S85.4Confident90.3Very high80 Ų8065 Ų6556%0.55935%0.351SS*.Hα-helixtrans-64.8-26.9-169.652.30000114.3M195 I196S192-M195 PolarHBondContact O-N 3.15Å; S192-I196 WeakPolarHBondContact O-CB 3.49Å; S192-I196 WeakPolarHBondContact O-CD1 3.37Å; S192-I196 WeakPolarHBondContact O-CG1 3.48Å; S192-I196 PolarHBondContact O-N 2.93Å
193L90.7Very high90.6Very high112 Ų11266.1 Ų66.159%0.58636%0.361SS*.Hα-helixtrans-62.4-49.6-177.1178.961000112.5G191 M195 I196 L197G191-L193 VanDerWaalsContact C-N 3.31Å; G191-L193 PolarHBondContact O-N 2.92Å; L193-M195 VanDerWaalsContact C-N 3.29Å; L193-M195 PolarHBondContact O-N 3.38Å; L193-I196 PolarHBondContact O-N 3.32Å; L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.13Å; L193-L197 HydrophobicContact CG-CD1 4.06Å; L193-L197 HydrophobicContact CG-CG 4.47Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 3.45Å
194R90.8Very high90.9Very high86 Ų8668.8 Ų68.833%0.32537%0.373SS..Hα-helixtrans-63.9-37.8178.7-70-170.8-178.7172.9-9.7112.1H189 G198H189-R194 VanDerWaalsContact O-CD 3.24Å; H189-R194 WeakPolarHBondContact O-CD 3.19Å; H189-R194 PolarHBondContact O-NE 3.18Å; H189-R194 PolarHBondContact O-NH1 2.94Å; R194-G198 PolarHBondContact O-N 3.15Å
195M93.2Very high91.3Very high30 Ų3062 Ų6215%0.14834%0.343CS..Hα-helixtrans-62.5-45.3174.9-176.2-17869.300111.1V126 V127 L130 S192 L193 L199 M262V126-M195 HydrophobicContact CG1-CE 3.89Å; V126-M195 HydrophobicContact CG1-SD 3.77Å; V127-M195 HydrophobicContact CB-CG 4.44Å; V127-M195 HydrophobicContact CB-SD 3.79Å; V127-M195 HydrophobicContact CG2-CG 4.31Å; V127-M195 HydrophobicContact CG2-SD 4.31Å; L130-M195 HydrophobicContact CD1-CE 4.35Å; L130-M195 HydrophobicContact CD1-CG 4.2Å; L130-M195 HydrophobicContact CD1-SD 3.85Å; S192-M195 PolarHBondContact O-N 3.15Å; L193-M195 VanDerWaalsContact C-N 3.29Å; L193-M195 PolarHBondContact O-N 3.38Å; M195-L199 VanDerWaalsContact O-CB 3.27Å; M195-L199 WeakPolarHBondContact O-CB 3.4Å; M195-L199 PolarHBondContact O-N 3.26Å; M195-M262 HydrophobicContact CG-CG 4.12Å
196I95.2Very high91.5Very high89 Ų8961 Ų6146%0.45634%0.339SS..Hα-helixtrans-63.9-49.2177.2-69.2163.2000110.5S192 L193 G198 L199 S200S192-I196 WeakPolarHBondContact O-CB 3.49Å; S192-I196 WeakPolarHBondContact O-CD1 3.37Å; S192-I196 WeakPolarHBondContact O-CG1 3.48Å; S192-I196 PolarHBondContact O-N 2.93Å; L193-I196 PolarHBondContact O-N 3.32Å; I196-G198 PolarHBondContact O-N 3.46Å; I196-L199 PolarHBondContact O-N 2.76Å; I196-S200 WeakPolarHBondContact O-CB 3.16Å; I196-S200 PolarHBondContact O-N 3.05Å; I196-S200 PolarHBondContact O-OG 2.91Å; I196-S200 VanDerWaalsContact O-OG 3.04Å
197L95.6Very high91.9Very high108 Ų10859.6 Ų59.657%0.56533%0.327SS*.Hα-helixtrans-59.7-45178.6-70.4174.5000112L193 S200 G201L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.13Å; L193-L197 HydrophobicContact CG-CD1 4.06Å; L193-L197 HydrophobicContact CG-CG 4.47Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 3.45Å; L197-S200 PolarHBondContact O-N 3.47Å; L197-G201 PolarHBondContact O-N 3.46Å
198G97.3Very high92.4Very high1 Ų156.9 Ų56.91%0.0131%0.309CS..Hα-helixtrans-65-39.9176.800000112.6R194 I196 F202 S258R194-G198 PolarHBondContact O-N 3.15Å; I196-G198 PolarHBondContact O-N 3.46Å; G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 3.01Å; G198-S258 VanDerWaalsContact CA-O 3.31Å; G198-S258 WeakPolarHBondContact CA-O 3.3Å; G198-S258 VanDerWaalsContact O-CB 3.22Å; G198-S258 WeakPolarHBondContact O-CB 3.13Å
199L97.9Very high93Very high47 Ų4756.3 Ų56.325%0.24631%0.305CS..Hα-helixtrans-66.3-44.9174.9-179.461.3000111.7L130 C134 M195 I196 G201 F202 V203 M262L130-L199 HydrophobicContact CD1-CD2 4.3Å; L130-L199 HydrophobicContact CD2-CD2 4.27Å; C134-L199 VanDerWaalsContact SG-CD1 3.56Å; M195-L199 VanDerWaalsContact O-CB 3.27Å; M195-L199 WeakPolarHBondContact O-CB 3.4Å; M195-L199 PolarHBondContact O-N 3.26Å; I196-L199 PolarHBondContact O-N 2.76Å; L199-G201 PolarHBondContact O-N 3.01Å; L199-F202 WeakPolarHBondContact O-CB 3.35Å; L199-F202 PolarHBondContact O-N 2.96Å; L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.31Å; L199-V203 PolarHBondContact O-N 3.38Å; L199-M262 HydrophobicContact CB-SD 3.92Å; L199-M262 HydrophobicContact CD1-SD 4.03Å
200S98.3Very high94.2Very high59 Ų5954.2 Ų54.241%0.41329%0.292SS..Hα-helixtrans-60.2-46.2176.9-63.60000111.4I196 L197 F202 V203 I204I196-S200 WeakPolarHBondContact O-CB 3.16Å; I196-S200 PolarHBondContact O-N 3.05Å; I196-S200 PolarHBondContact O-OG 2.91Å; I196-S200 VanDerWaalsContact O-OG 3.04Å; L197-S200 PolarHBondContact O-N 3.47Å; S200-F202 VanDerWaalsContact C-N 3.32Å; S200-F202 PolarHBondContact O-N 3.1Å; S200-V203 PolarHBondContact O-N 3.38Å; S200-I204 WeakPolarHBondContact O-CB 3.44Å; S200-I204 VanDerWaalsContact O-CG1 3.27Å; S200-I204 WeakPolarHBondContact O-CG1 3.37Å; S200-I204 PolarHBondContact O-N 3.43Å
201G98.6Very high95.5Very high13 Ų1347.8 Ų47.813%0.13427%0.265CS..Hα-helixtrans-61.9-39.2175.500000112.7L197 L199 G205 S258L197-G201 PolarHBondContact O-N 3.46Å; L199-G201 PolarHBondContact O-N 3.01Å; G201-G205 PolarHBondContact O-N 3.25Å; G201-S258 WeakPolarHBondContact CA-OG 3.41Å
202F98.8Very high96.5Very high4 Ų445.8 Ų45.82%0.01825%0.245CC..Hα-helixtrans-61.5-50174.7-177.7-91000111.7C134 H138 G198 L199 S200 I204 G205 E206 A255 W256 S258 F259C134-F202 HydrophobicContact CB-CD1 3.95Å; C134-F202 HydrophobicContact CB-CE1 3.48Å; C134-F202 VanDerWaalsContact CB-CE1 3.48Å; C134-F202 HydrophobicContact CB-CE2 4.17Å; C134-F202 HydrophobicContact CB-CG 4.47Å; C134-F202 HydrophobicContact CB-CZ 3.6Å; C134-F202 WeakPolarHBondContact O-CZ 3.44Å; C134-F202 VanDerWaalsContact SG-CD1 3.58Å; H138-F202 HydrophobicContact CB-CZ 4.14Å; G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 3.01Å; L199-F202 WeakPolarHBondContact O-CB 3.35Å; L199-F202 PolarHBondContact O-N 2.96Å; S200-F202 VanDerWaalsContact C-N 3.32Å; S200-F202 PolarHBondContact O-N 3.1Å; F202-I204 PolarHBondContact O-N 2.76Å; F202-G205 PolarHBondContact O-N 2.88Å; F202-E206 HydrophobicContact CD1-CG 3.88Å; F202-E206 HydrophobicContact CE1-CG 3.45Å; F202-E206 VanDerWaalsContact CE1-CG 3.45Å; F202-E206 HydrophobicContact CE2-CG 4.34Å; F202-E206 HydrophobicContact CG-CG 4.49Å; F202-E206 HydrophobicContact CZ-CG 3.72Å; F202-E206 WeakPolarHBondContact O-CG 3.41Å; F202-E206 PolarHBondContact O-N 3.18Å; F202-A255 HydrophobicContact CD2-CB 4.03Å; F202-A255 WeakPolarHBondContact CD2-O 3.48Å; F202-A255 HydrophobicContact CE2-CB 4.28Å; F202-W256 HydrophobicContact CE2-CZ3 4.45Å; F202-S258 VanDerWaalsContact N-CB 3.31Å; F202-F259 HydrophobicContact CD2-CB 3.87Å; F202-F259 HydrophobicContact CD2-CD2 4.24Å; F202-F259 HydrophobicContact CE2-CB 4.27Å; F202-F259 HydrophobicContact CE2-CD2 4.14Å
203V98.8Very high97.1Very high68 Ų6842.5 Ų42.541%0.41222%0.22SC..Hα-helixtrans-61.7-43.8179.9171.50000111.5L199 S200 G205 E206 I207L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.31Å; L199-V203 PolarHBondContact O-N 3.38Å; S200-V203 PolarHBondContact O-N 3.38Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 3.17Å; V203-E206 PolarHBondContact O-N 3.31Å; V203-I207 HydrophobicContact CG1-CD1 3.73Å; V203-I207 HydrophobicContact CG1-CG1 4.4Å; V203-I207 WeakPolarHBondContact O-CG1 3.39Å; V203-I207 PolarHBondContact O-N 2.99Å
204I98.6Very high97.3Very high85 Ų8539.1 Ų39.144%0.43620%0.204SC..Hα-helixtrans-59.9-44.9175-70.1167.7000110.5S200 F202 G208 F237 L254S200-I204 WeakPolarHBondContact O-CB 3.44Å; S200-I204 VanDerWaalsContact O-CG1 3.27Å; S200-I204 WeakPolarHBondContact O-CG1 3.37Å; S200-I204 PolarHBondContact O-N 3.43Å; F202-I204 PolarHBondContact O-N 2.76Å; I204-G208 PolarHBondContact O-N 3.06Å; I204-F237 HydrophobicContact CG2-CE1 4.08Å; I204-L254 HydrophobicContact CG2-CD2 4.13Å
205G98.7Very high97.5Very high0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-60.3-44.8175.600000112.6G201 F202 V203 G208 N209 Y251G201-G205 PolarHBondContact O-N 3.25Å; F202-G205 PolarHBondContact O-N 2.88Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 3.17Å; G205-G208 PolarHBondContact O-N 2.79Å; G205-N209 WeakPolarHBondContact O-CB 3.16Å; G205-N209 PolarHBondContact O-N 3.22Å; G205-Y251 WeakPolarHBondContact CA-O 3.47Å; G205-Y251 WeakPolarHBondContact O-CB 3.41Å
206E98.8Very high97.4Very high3 Ų335.9 Ų35.91%0.01420%0.195CC..Hα-helixtrans-65.6-46.6-179.7-73.7-62.2107.900112.8F137 H138 K141 F202 V203 Y210F137-E206 HydrophobicContact CD1-CG 4.46Å; F137-E206 HydrophobicContact CE1-CB 4.2Å; F137-E206 HydrophobicContact CE1-CG 4.39Å; H138-E206 IonicContact CE1-OE1 3.56Å; H138-E206 IonicContact CG-OE1 3.84Å; H138-E206 IonicContact CG-OE2 3.93Å; H138-E206 IonicContact ND1-OE1 2.75Å; H138-E206 PolarHBondContact ND1-OE1 3.49Å; H138-E206 IonicContact ND1-OE2 3.4Å; H138-E206 PolarHBondContact ND1-OE2 3.01Å; K141-E206 WeakPolarHBondContact CD-OE2 3.43Å; K141-E206 VanDerWaalsContact CE-OE2 3.31Å; K141-E206 WeakPolarHBondContact CE-OE2 3.29Å; K141-E206 VanDerWaalsContact NZ-CD 3.27Å; K141-E206 IonicContact NZ-OE1 3.49Å; K141-E206 PolarHBondContact NZ-OE1 3.18Å; K141-E206 IonicContact NZ-OE2 2.73Å; K141-E206 PolarHBondContact NZ-OE2 3.25Å; F202-E206 HydrophobicContact CD1-CG 3.88Å; F202-E206 HydrophobicContact CE1-CG 3.45Å; F202-E206 VanDerWaalsContact CE1-CG 3.45Å; F202-E206 HydrophobicContact CE2-CG 4.34Å; F202-E206 HydrophobicContact CG-CG 4.49Å; F202-E206 HydrophobicContact CZ-CG 3.72Å; F202-E206 WeakPolarHBondContact O-CG 3.41Å; F202-E206 PolarHBondContact O-N 3.18Å; V203-E206 PolarHBondContact O-N 3.31Å; E206-Y210 WeakPolarHBondContact O-CB 3.41Å; E206-Y210 PolarHBondContact O-N 2.87Å
207I98.6Very high97.2Very high82 Ų8232.5 Ų32.542%0.42118%0.179SC..Hα-helixtrans-64.7-44.9177.5-64.4169.1000110.2V203 Y210 S211 F237V203-I207 HydrophobicContact CG1-CD1 3.73Å; V203-I207 HydrophobicContact CG1-CG1 4.4Å; V203-I207 WeakPolarHBondContact O-CG1 3.39Å; V203-I207 PolarHBondContact O-N 2.99Å; I207-Y210 PolarHBondContact O-N 2.93Å; I207-S211 VanDerWaalsContact O-CB 3.31Å; I207-S211 WeakPolarHBondContact O-CB 3.49Å; I207-S211 PolarHBondContact O-N 3.49Å; I207-S211 PolarHBondContact O-OG 3.33Å; I207-F237 HydrophobicContact CB-CE1 4.34Å; I207-F237 HydrophobicContact CB-CE2 4.32Å; I207-F237 HydrophobicContact CB-CZ 4.02Å; I207-F237 HydrophobicContact CG2-CD2 3.82Å; I207-F237 HydrophobicContact CG2-CE1 4.19Å; I207-F237 HydrophobicContact CG2-CE2 3.39Å; I207-F237 HydrophobicContact CG2-CG 4.4Å; I207-F237 HydrophobicContact CG2-CZ 3.59Å
208G98.6Very high96.9Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-62.3-47.2179.100000111.7I204 G205 Y210 S211 I212 Y251I204-G208 PolarHBondContact O-N 3.06Å; G205-G208 PolarHBondContact O-N 2.79Å; G208-Y210 PolarHBondContact O-N 2.98Å; G208-S211 WeakPolarHBondContact O-CB 3.36Å; G208-S211 PolarHBondContact O-N 3.38Å; G208-I212 WeakPolarHBondContact O-CG1 3.48Å; G208-I212 PolarHBondContact O-N 2.97Å; G208-Y251 WeakPolarHBondContact O-CD2 2.93Å
209N98.5Very high96.4Very high1 Ų134.7 Ų34.71%0.00519%0.191CC..Hα-helixtrans-59.3-50177.6176-75.5000111.9R142 G205 S211 I212 H213 N248 E252R142-N209 PolarHBondContact NH2-ND2 2.79Å; R142-N209 VanDerWaalsContact NH2-ND2 3.19Å; R142-N209 PolarHBondContact NH2-OD1 3.42Å; G205-N209 WeakPolarHBondContact O-CB 3.16Å; G205-N209 PolarHBondContact O-N 3.22Å; N209-S211 VanDerWaalsContact C-N 3.29Å; N209-S211 PolarHBondContact O-N 3.46Å; N209-I212 PolarHBondContact O-N 3.5Å; N209-I212 VanDerWaalsContact O-N 3.15Å; N209-H213 PolarHBondContact O-N 2.79Å; N209-H213 PolarHBondContact OD1-CE1 3.14Å; N209-H213 PolarHBondContact OD1-ND1 3.04Å; N209-N248 PolarHBondContact ND2-O 3.05Å; N209-E252 PolarHBondContact ND2-OE2 2.89Å
210Y98.5Very high95.4Very high86 Ų8635.4 Ų35.434%0.33719%0.191SC..Hα-helixtrans-57.4-45.1177.6173.9-102.8000111.2Y144 E145 V149 E206 I207 G208 I212 H213 V214Y144-Y210 HydrophobicContact CE1-CE2 4.16Å; E145-Y210 HydrophobicContact CG-CD2 4Å; E145-Y210 HydrophobicContact CG-CE2 4.36Å; E145-Y210 VanDerWaalsContact OE1-CD2 3.31Å; E145-Y210 WeakPolarHBondContact OE1-CD2 3.17Å; V149-Y210 HydrophobicContact CG2-CE2 4.19Å; E206-Y210 WeakPolarHBondContact O-CB 3.41Å; E206-Y210 PolarHBondContact O-N 2.87Å; I207-Y210 PolarHBondContact O-N 2.93Å; G208-Y210 PolarHBondContact O-N 2.98Å; Y210-I212 VanDerWaalsContact C-N 3.28Å; Y210-I212 PolarHBondContact O-N 2.59Å; Y210-H213 WeakPolarHBondContact O-CB 3.23Å; Y210-H213 PolarHBondContact O-N 3.28Å; Y210-V214 HydrophobicContact CD1-CG2 4.2Å; Y210-V214 HydrophobicContact CD2-CG2 4.28Å; Y210-V214 HydrophobicContact CE1-CG2 3.71Å; Y210-V214 HydrophobicContact CE2-CG2 3.8Å; Y210-V214 HydrophobicContact CG-CG2 4.47Å; Y210-V214 VanDerWaalsContact CZ-CG2 3.48Å; Y210-V214 WeakPolarHBondContact O-CG2 3.49Å; Y210-V214 PolarHBondContact O-N 2.93Å
211S98.3Very high93.9Very high8 Ų835 Ų356%0.05619%0.186CC..Hα-helixtrans-57.2-42178.1-62.90000111.9I207 G208 N209 A215 N235I207-S211 VanDerWaalsContact O-CB 3.31Å; I207-S211 WeakPolarHBondContact O-CB 3.49Å; I207-S211 PolarHBondContact O-N 3.49Å; I207-S211 PolarHBondContact O-OG 3.33Å; G208-S211 WeakPolarHBondContact O-CB 3.36Å; G208-S211 PolarHBondContact O-N 3.38Å; N209-S211 VanDerWaalsContact C-N 3.29Å; N209-S211 PolarHBondContact O-N 3.46Å; S211-A215 WeakPolarHBondContact O-CB 3.27Å; S211-A215 PolarHBondContact O-N 2.79Å; S211-N235 VanDerWaalsContact CB-ND2 3.34Å; S211-N235 WeakPolarHBondContact CB-ND2 3.37Å; S211-N235 PolarHBondContact OG-ND2 3.21Å
212I97.8Very high92.4Very high0 Ų040.1 Ų40.10%022%0.217CC..Hα-helixtrans-68.1-41.4174.9-60.9-52000111.4G208 N209 Y210 V214 A215 M216 T238 F241 P247 N248 Y251G208-I212 WeakPolarHBondContact O-CG1 3.48Å; G208-I212 PolarHBondContact O-N 2.97Å; N209-I212 PolarHBondContact O-N 3.5Å; N209-I212 VanDerWaalsContact O-N 3.15Å; Y210-I212 VanDerWaalsContact C-N 3.28Å; Y210-I212 PolarHBondContact O-N 2.59Å; I212-V214 VanDerWaalsContact C-N 3.34Å; I212-V214 PolarHBondContact O-N 3.31Å; I212-A215 PolarHBondContact O-N 3.12Å; I212-M216 HydrophobicContact CG2-CE 4.1Å; I212-M216 HydrophobicContact CG2-CG 4.2Å; I212-M216 HydrophobicContact CG2-SD 4.39Å; I212-M216 WeakPolarHBondContact O-CB 3.31Å; I212-M216 WeakPolarHBondContact O-CG 3.39Å; I212-M216 PolarHBondContact O-N 2.74Å; I212-T238 HydrophobicContact CD1-CG2 4.22Å; I212-F241 HydrophobicContact CD1-CD2 4.2Å; I212-F241 HydrophobicContact CD1-CE2 3.78Å; I212-F241 HydrophobicContact CD1-CZ 4.03Å; I212-F241 HydrophobicContact CG2-CE1 4.09Å; I212-F241 HydrophobicContact CG2-CE2 4.4Å; I212-F241 HydrophobicContact CG2-CZ 3.63Å; I212-P247 HydrophobicContact CD1-CB 3.98Å; I212-P247 HydrophobicContact CD1-CG 3.65Å; I212-P247 HydrophobicContact CG1-CB 3.95Å; I212-P247 HydrophobicContact CG1-CG 3.88Å; I212-P247 HydrophobicContact CG2-CG 3.83Å; I212-N248 HydrophobicContact CB-CB 3.89Å; I212-N248 HydrophobicContact CG2-CB 3.57Å; I212-Y251 HydrophobicContact CD1-CE2 4.17Å; I212-Y251 HydrophobicContact CG1-CD2 3.77Å; I212-Y251 HydrophobicContact CG1-CE2 3.77Å
213H96.5Very high90.8Very high10 Ų1044.3 Ų44.35%0.04626%0.262CS..Hα-helixtrans-60.1-43.3177.3-74175.3000112.1E145 V149 H150 N209 Y210 M216 S217 N248E145-H213 VanDerWaalsContact CD-ND1 3.3Å; E145-H213 IonicContact OE1-ND1 2.73Å; E145-H213 IonicContact OE2-CE1 3.75Å; E145-H213 PolarHBondContact OE2-CE1 3.36Å; E145-H213 IonicContact OE2-CG 3.45Å; E145-H213 IonicContact OE2-ND1 2.6Å; E145-H213 PolarHBondContact OE2-ND1 2.89Å; V149-H213 HydrophobicContact CG1-CB 4.3Å; H150-H213 AromaticContact CE1-CD2 3.87Å; H150-H213 AromaticContact CE1-CE1 3.66Å; H150-H213 AromaticContact CE1-CG 3.58Å; H150-H213 AromaticContact CE1-ND1 3.45Å; H150-H213 PolarHBondContact CE1-ND1 2.83Å; H150-H213 AromaticContact CE1-NE2 3.91Å; H150-H213 AromaticContact NE2-CE1 3.98Å; H150-H213 AromaticContact NE2-ND1 3.95Å; N209-H213 PolarHBondContact O-N 2.79Å; N209-H213 PolarHBondContact OD1-CE1 3.14Å; N209-H213 PolarHBondContact OD1-ND1 3.04Å; Y210-H213 WeakPolarHBondContact O-CB 3.23Å; Y210-H213 PolarHBondContact O-N 3.28Å; H213-M216 PolarHBondContact O-N 2.87Å; H213-S217 PolarHBondContact O-N 3.44Å; H213-N248 PolarHBondContact NE2-ND2 2.95Å
214V95.5Very high89.3Confident41 Ų4143 Ų4325%0.24826%0.255CS..Hα-helixtrans-64.9-45.3173.9174.10000111.5V149 Y210 I212 M216 S217 N218V149-V214 HydrophobicContact CG1-CG2 4.01Å; Y210-V214 HydrophobicContact CD1-CG2 4.2Å; Y210-V214 HydrophobicContact CD2-CG2 4.28Å; Y210-V214 HydrophobicContact CE1-CG2 3.71Å; Y210-V214 HydrophobicContact CE2-CG2 3.8Å; Y210-V214 HydrophobicContact CG-CG2 4.47Å; Y210-V214 VanDerWaalsContact CZ-CG2 3.48Å; Y210-V214 WeakPolarHBondContact O-CG2 3.49Å; Y210-V214 PolarHBondContact O-N 2.93Å; I212-V214 VanDerWaalsContact C-N 3.34Å; I212-V214 PolarHBondContact O-N 3.31Å; V214-M216 VanDerWaalsContact C-N 3.29Å; V214-M216 PolarHBondContact O-N 3.11Å; V214-S217 WeakPolarHBondContact CA-OG 3.44Å; V214-S217 PolarHBondContact O-N 2.86Å; V214-S217 PolarHBondContact O-OG 3.44Å; V214-N218 VanDerWaalsContact O-CG 3.23Å; V214-N218 PolarHBondContact O-N 2.89Å; V214-N218 PolarHBondContact O-ND2 2.99Å
215A94.7Very high87.7Confident10 Ų1045.2 Ų45.28%0.08326%0.262CS..Hα-helixtrans-59.7-42.7176.800000111.3S211 I212 N218 L219 T233 T238 F241S211-A215 WeakPolarHBondContact O-CB 3.27Å; S211-A215 PolarHBondContact O-N 2.79Å; I212-A215 PolarHBondContact O-N 3.12Å; A215-N218 PolarHBondContact O-N 3.33Å; A215-L219 PolarHBondContact O-N 3.03Å; A215-T233 HydrophobicContact CB-CG2 4.44Å; A215-T238 HydrophobicContact CB-CG2 3.95Å; A215-F241 HydrophobicContact CB-CE2 3.87Å; A215-F241 HydrophobicContact CB-CZ 4.42Å
216M92.5Very high86.4Confident38 Ų3849.1 Ų49.119%0.18729%0.285CS..Hα-helixtrans-67.3-34.7176.7-74-163.1-6100113.3I212 H213 V214 N218 L219 F241 N248I212-M216 HydrophobicContact CG2-CE 4.1Å; I212-M216 HydrophobicContact CG2-CG 4.2Å; I212-M216 HydrophobicContact CG2-SD 4.39Å; I212-M216 WeakPolarHBondContact O-CB 3.31Å; I212-M216 WeakPolarHBondContact O-CG 3.39Å; I212-M216 PolarHBondContact O-N 2.74Å; H213-M216 PolarHBondContact O-N 2.87Å; V214-M216 VanDerWaalsContact C-N 3.29Å; V214-M216 PolarHBondContact O-N 3.11Å; M216-N218 VanDerWaalsContact C-N 3.3Å; M216-L219 PolarHBondContact O-N 3.1Å; M216-F241 HydrophobicContact CG-CZ 4.06Å; M216-N248 HydrophobicContact CE-CB 4.19Å
217S91Very high85.4Confident19 Ų1953.7 Ų53.713%0.13330%0.303CS..Hα-helixtrans-66-36.8174.763.10000111.4V149 H213 V214 L219 R220V149-S217 WeakPolarHBondContact O-CB 3.35Å; H213-S217 PolarHBondContact O-N 3.44Å; V214-S217 WeakPolarHBondContact CA-OG 3.44Å; V214-S217 PolarHBondContact O-N 2.86Å; V214-S217 PolarHBondContact O-OG 3.44Å; S217-L219 VanDerWaalsContact C-N 3.28Å; S217-L219 PolarHBondContact O-N 2.79Å; S217-R220 PolarHBondContact O-N 2.95Å; S217-R220 VanDerWaalsContact O-N 3.15Å
218N89.4Confident84.8Confident117 Ų11756.6 Ų56.663%0.62631%0.308SS*.Hα-helixtrans-71.7-19.9179.9-66.2-13.3000113.6V214 A215 M216 R220V214-N218 VanDerWaalsContact O-CG 3.23Å; V214-N218 PolarHBondContact O-N 2.89Å; V214-N218 PolarHBondContact O-ND2 2.99Å; A215-N218 PolarHBondContact O-N 3.33Å; M216-N218 VanDerWaalsContact C-N 3.3Å; N218-R220 PolarHBondContact O-N 3.14Å
219L86.5Confident84.2Confident38 Ų3857.9 Ų57.920%0.19932%0.315CS..THydrogen-bonded Turntrans-66-12.2171.1-65.8171.9000113A215 M216 S217 P221 R228 P230A215-L219 PolarHBondContact O-N 3.03Å; M216-L219 PolarHBondContact O-N 3.1Å; S217-L219 VanDerWaalsContact C-N 3.28Å; S217-L219 PolarHBondContact O-N 2.79Å; L219-P221 WeakPolarHBondContact O-CD 3.44Å; L219-R228 HydrophobicContact CD2-CB 4.28Å; L219-P230 HydrophobicContact CD1-CB 3.63Å; L219-P230 HydrophobicContact CD1-CG 3.56Å
220R76.3Confident83.8Confident62 Ų6258 Ų5823%0.23432%0.316CS..SBendtrans-116.691.6179.1-63.3-180-178.4-167.9-6.4109R151 S153 S217 N218R151-R220 PolarHBondContact O-NH1 3.12Å; S153-R220 VanDerWaalsContact CB-NH2 3.34Å; S153-R220 PolarHBondContact OG-NH1 2.85Å; S153-R220 PolarHBondContact OG-NH2 3.28Å; S153-R220 VanDerWaalsContact OG-NH2 3.08Å; S217-R220 PolarHBondContact O-N 2.95Å; S217-R220 VanDerWaalsContact O-N 3.15Å; N218-R220 PolarHBondContact O-N 3.14Å
221P67.8Low83.5Confident49 Ų4958.7 Ų58.732%0.31833%0.325SS..  trans-50.4141.9170.6-22.830.5000110.2L219 G223 S224L219-P221 WeakPolarHBondContact O-CD 3.44Å; P221-G223 PolarHBondContact O-N 2.99Å; P221-S224 WeakPolarHBondContact O-CB 3.4Å; P221-S224 PolarHBondContact O-N 3.17Å
222P66.1Low83.4Confident122 Ų12260.3 Ų60.379%0.79234%0.335SS*.THydrogen-bonded Turntrans-50.4126.9174.1-25.533.9000110.7S224P222-S224 VanDerWaalsContact C-N 3.33Å; P222-S224 PolarHBondContact O-N 2.83Å
223G64.6Low83.2Confident92 Ų9264 Ų6495%0.94836%0.358SS*.THydrogen-bonded Turntrans84.1-8.3-176.900000115.9P221P221-G223 PolarHBondContact O-N 2.99Å
224S68.2Low83.1Confident40 Ų4069.8 Ų69.828%0.2840%0.399SS..  trans-100.6138.1177.8-173.90000112.5P221 P222 V226P221-S224 WeakPolarHBondContact O-CB 3.4Å; P221-S224 PolarHBondContact O-N 3.17Å; P222-S224 VanDerWaalsContact C-N 3.33Å; P222-S224 PolarHBondContact O-N 2.83Å; S224-V226 WeakPolarHBondContact OG-CG2 3.13Å; S224-V226 PolarHBondContact OG-N 3.35Å
225K64.6Low83.2Confident132 Ų13270.4 Ų70.457%0.57440%0.401SS*.  trans-104.57.8169.4-65.2-168.2178.8-168.70113.6H60 R227H60-K225 PolarHBondContact CE1-NZ 3.24Å; H60-K225 PolarHBondContact NE2-NZ 2.76Å; K225-R227 PolarHBondContact O-N 2.88Å
226V71.9Confident83.3Confident81 Ų8174.6 Ų74.649%0.49143%0.428SS..  trans-60123.4178.91770000109.3S224 R228S224-V226 WeakPolarHBondContact OG-CG2 3.13Å; S224-V226 PolarHBondContact OG-N 3.35Å; V226-R228 HydrophobicContact CG1-CG 4.27Å
227R77.1Confident83.6Confident100 Ų10075.2 Ų75.238%0.37743%0.429SS..  trans-85.7130.8174.8-61.5-177.6107.7-147.811.2108.4K225 E293 F294K225-R227 PolarHBondContact O-N 2.88Å; R227-E293 VanDerWaalsContact CB-OE1 3.25Å; R227-E293 WeakPolarHBondContact CB-OE1 3.46Å; R227-E293 VanDerWaalsContact CD-OE1 3.3Å; R227-E293 WeakPolarHBondContact CD-OE1 3.29Å; R227-E293 IonicContact CZ-OE2 2.81Å; R227-E293 IonicContact NH1-OE1 3.73Å; R227-E293 IonicContact NH1-OE2 2.83Å; R227-E293 PolarHBondContact NH1-OE2 3.01Å; R227-F294 HydrophobicContact CB-CZ 4Å; R227-F294 WeakPolarHBondContact O-CE1 3.44Å; R227-F294 WeakPolarHBondContact O-CZ 3.42Å
228R85.5Confident83.9Confident142 Ų14274.4 Ų74.454%0.53642%0.423SS..  trans-122.2152.8175.9-63.9-177.5-178-176.90.8109.5L219 V226 P230L219-R228 HydrophobicContact CD2-CB 4.28Å; V226-R228 HydrophobicContact CG1-CG 4.27Å; R228-P230 WeakPolarHBondContact O-CD 3.11Å
229I87.5Confident84.2Confident28 Ų2873.3 Ų73.314%0.14442%0.417CS..  trans-68.6126.1170.4-54.9172.8000107.7L231 F294 Y297I229-L231 HydrophobicContact CG2-CD2 4.35Å; I229-L231 PolarHBondContact O-N 2.79Å; I229-F294 HydrophobicContact CD1-CB 3.51Å; I229-F294 HydrophobicContact CD1-CD1 4.12Å; I229-F294 HydrophobicContact CD1-CD2 4.3Å; I229-F294 HydrophobicContact CD1-CG 3.73Å; I229-F294 HydrophobicContact CG1-CB 3.78Å; I229-F294 HydrophobicContact CG1-CD1 3.74Å; I229-F294 HydrophobicContact CG1-CD2 3.57Å; I229-F294 HydrophobicContact CG1-CE1 4.22Å; I229-F294 HydrophobicContact CG1-CE2 4.07Å; I229-F294 HydrophobicContact CG1-CG 3.4Å; I229-F294 HydrophobicContact CG1-CZ 4.37Å; I229-Y297 HydrophobicContact CD1-CD2 4.17Å; I229-Y297 HydrophobicContact CG1-CD2 4.27Å; I229-Y297 HydrophobicContact CG2-CD2 3.96Å; I229-Y297 HydrophobicContact CG2-CE2 3.98Å
230P90.6Very high84.7Confident3 Ų372.7 Ų72.72%0.01941%0.414CS..  trans-63.6129.8170.9-19.731.6000111.2L219 R228 F241 R301L219-P230 HydrophobicContact CD1-CB 3.63Å; L219-P230 HydrophobicContact CD1-CG 3.56Å; R228-P230 WeakPolarHBondContact O-CD 3.11Å; P230-F241 HydrophobicContact CB-CD1 3.48Å; P230-F241 VanDerWaalsContact CB-CD1 3.48Å; P230-F241 HydrophobicContact CB-CD2 4.39Å; P230-F241 HydrophobicContact CB-CE1 3.23Å; P230-F241 HydrophobicContact CB-CE2 4.19Å; P230-F241 HydrophobicContact CB-CG 4.06Å; P230-F241 HydrophobicContact CB-CZ 3.61Å; P230-F241 HydrophobicContact CG-CD1 4.48Å; P230-F241 HydrophobicContact CG-CE1 4.04Å; P230-R301 PolarHBondContact O-NH1 3Å
231L92.2Very high85.7Confident100 Ų10069.9 Ų69.952%0.52440%0.403SS..  trans-123.9157175.7-61.8-179.9000109.4I229 F241 R301I229-L231 HydrophobicContact CG2-CD2 4.35Å; I229-L231 PolarHBondContact O-N 2.79Å; L231-F241 WeakPolarHBondContact O-CD2 3.4Å; L231-R301 VanDerWaalsContact CD2-NH2 3.3Å
232P94.9Very high87Confident43 Ų4370.4 Ų70.428%0.27940%0.403SS..  trans-54.8148.2170.2-22.231.7000112.4F241 D242P232-F241 HydrophobicContact CG-CB 4.22Å; P232-D242 VanDerWaalsContact CD-OD1 3.27Å; P232-D242 WeakPolarHBondContact CD-OD1 3.36Å; P232-D242 HydrophobicContact CG-CB 4.45Å; P232-D242 WeakPolarHBondContact CG-OD1 3.34Å; P232-D242 WeakPolarHBondContact CG-OD2 3.5Å
233T94.5Very high88.4Confident77 Ų7768.1 Ų68.147%0.47238%0.381SS..  trans-114.7-173.3173.173.70000109.3A215 N235 T238A215-T233 HydrophobicContact CB-CG2 4.44Å; T233-N235 PolarHBondContact O-N 3.47Å; T233-N235 PolarHBondContact OG1-N 3.08Å; T233-T238 PolarHBondContact N-OG1 3.02Å; T233-T238 PolarHBondContact O-OG1 2.96Å; T233-T238 PolarHBondContact OG1-OG1 2.77Å
234S94.7Very high89.9Confident131 Ų13163.8 Ų63.892%0.91634%0.336SS*.SBendtrans-63.9-15.517354.30000114
235N96.8Very high91.3Very high54 Ų5462 Ų6229%0.28932%0.323SS..SBendtrans-77.8120.1175.1178.8-22.4000109.8S211 T233 F237 T238S211-N235 VanDerWaalsContact CB-ND2 3.34Å; S211-N235 WeakPolarHBondContact CB-ND2 3.37Å; S211-N235 PolarHBondContact OG-ND2 3.21Å; T233-N235 PolarHBondContact O-N 3.47Å; T233-N235 PolarHBondContact OG1-N 3.08Å; N235-F237 PolarHBondContact O-N 3.37Å; N235-F237 VanDerWaalsContact O-N 3.12Å; N235-F237 WeakPolarHBondContact OD1-CB 3.36Å; N235-F237 PolarHBondContact OD1-N 3.41Å; N235-T238 HydrophobicContact CB-CG2 4.07Å; N235-T238 WeakPolarHBondContact O-CB 3.45Å; N235-T238 PolarHBondContact O-N 3.29Å; N235-T238 PolarHBondContact O-OG1 3.36Å
236P97.4Very high92.7Very high99 Ų9955.7 Ų55.764%0.64330%0.296SS*.G310 helixtrans-60.4-27.7-174.824.7-35.2000113.7T238 I239P236-T238 PolarHBondContact O-N 3.46Å; P236-T238 VanDerWaalsContact O-N 3.14Å; P236-I239 WeakPolarHBondContact O-CB 3.37Å; P236-I239 WeakPolarHBondContact O-CG2 3.3Å; P236-I239 PolarHBondContact O-N 2.84Å; P236-I239 VanDerWaalsContact O-N 3.17Å
237F97.4Very high93.9Very high51 Ų5151.8 Ų51.822%0.22427%0.272CS..G310 helixtrans-65-18.4176.8-75.3-84.5000113.3I204 I207 N235 Y251I204-F237 HydrophobicContact CG2-CE1 4.08Å; I207-F237 HydrophobicContact CB-CE1 4.34Å; I207-F237 HydrophobicContact CB-CE2 4.32Å; I207-F237 HydrophobicContact CB-CZ 4.02Å; I207-F237 HydrophobicContact CG2-CD2 3.82Å; I207-F237 HydrophobicContact CG2-CE1 4.19Å; I207-F237 HydrophobicContact CG2-CE2 3.39Å; I207-F237 HydrophobicContact CG2-CG 4.4Å; I207-F237 HydrophobicContact CG2-CZ 3.59Å; N235-F237 PolarHBondContact O-N 3.37Å; N235-F237 VanDerWaalsContact O-N 3.12Å; N235-F237 WeakPolarHBondContact OD1-CB 3.36Å; N235-F237 PolarHBondContact OD1-N 3.41Å; F237-Y251 HydrophobicContact CD1-CE1 4.01Å; F237-Y251 AromaticContact CD1-CZ 3.89Å; F237-Y251 WeakPolarHBondContact O-CE2 3.31Å; F237-Y251 PolarHBondContact O-OH 2.92Å
238T97.5Very high94.9Very high1 Ų147.4 Ų47.41%0.00626%0.256CS..G310 helixtrans-85.6-8.2179.170.20000113.8I212 A215 T233 N235 P236 L240 F241I212-T238 HydrophobicContact CD1-CG2 4.22Å; A215-T238 HydrophobicContact CB-CG2 3.95Å; T233-T238 PolarHBondContact N-OG1 3.02Å; T233-T238 PolarHBondContact O-OG1 2.96Å; T233-T238 PolarHBondContact OG1-OG1 2.77Å; N235-T238 HydrophobicContact CB-CG2 4.07Å; N235-T238 WeakPolarHBondContact O-CB 3.45Å; N235-T238 PolarHBondContact O-N 3.29Å; N235-T238 PolarHBondContact O-OG1 3.36Å; P236-T238 PolarHBondContact O-N 3.46Å; P236-T238 VanDerWaalsContact O-N 3.14Å; T238-L240 PolarHBondContact O-N 3.47Å; T238-F241 WeakPolarHBondContact O-CB 3.45Å; T238-F241 VanDerWaalsContact O-CD2 3.29Å; T238-F241 WeakPolarHBondContact O-CD2 3.38Å; T238-F241 PolarHBondContact O-N 3.3Å
239I96.8Very high95.5Very high94 Ų9443.3 Ų43.348%0.48224%0.241SC..G310 helixtrans-55.5-26.7175.7-160.4171.3000112.2P236 F241 D242P236-I239 WeakPolarHBondContact O-CB 3.37Å; P236-I239 WeakPolarHBondContact O-CG2 3.3Å; P236-I239 PolarHBondContact O-N 2.84Å; P236-I239 VanDerWaalsContact O-N 3.17Å; I239-F241 PolarHBondContact O-N 2.8Å; I239-F241 VanDerWaalsContact O-N 3.08Å; I239-D242 WeakPolarHBondContact O-CB 3.39Å; I239-D242 PolarHBondContact O-N 2.77Å
240L96.4Very high96Very high26 Ų2642.9 Ų42.914%0.13624%0.24CC..G310 helixtrans-61.6-20.2179.2-155.261.5000112.9T238 D242 F243 V244 P247 T250 Y251 P306T238-L240 PolarHBondContact O-N 3.47Å; L240-D242 PolarHBondContact O-N 3.41Å; L240-F243 HydrophobicContact CD1-CD2 4.44Å; L240-F243 PolarHBondContact O-N 3.06Å; L240-V244 HydrophobicContact CD2-CG2 4.37Å; L240-V244 HydrophobicContact CG-CG2 3.93Å; L240-V244 PolarHBondContact O-N 3.38Å; L240-P247 HydrophobicContact CB-CB 3.81Å; L240-P247 HydrophobicContact CD2-CB 3.7Å; L240-P247 HydrophobicContact CG-CB 3.88Å; L240-T250 HydrophobicContact CD2-CG2 3.98Å; L240-Y251 HydrophobicContact CB-CE2 4.41Å; L240-Y251 HydrophobicContact CD2-CD2 4.3Å; L240-Y251 HydrophobicContact CD2-CE1 4.5Å; L240-Y251 HydrophobicContact CD2-CE2 3.84Å; L240-P306 HydrophobicContact CD1-CG 3.79Å
241F96.4Very high96.4Very high2 Ų243.9 Ų43.91%0.00924%0.243CC..G310 helixtrans-59.5-25.7171.4-78.3-54.8000113.5I212 A215 M216 P230 L231 P232 T238 I239 F243 P247 R301I212-F241 HydrophobicContact CD1-CD2 4.2Å; I212-F241 HydrophobicContact CD1-CE2 3.78Å; I212-F241 HydrophobicContact CD1-CZ 4.03Å; I212-F241 HydrophobicContact CG2-CE1 4.09Å; I212-F241 HydrophobicContact CG2-CE2 4.4Å; I212-F241 HydrophobicContact CG2-CZ 3.63Å; A215-F241 HydrophobicContact CB-CE2 3.87Å; A215-F241 HydrophobicContact CB-CZ 4.42Å; M216-F241 HydrophobicContact CG-CZ 4.06Å; P230-F241 HydrophobicContact CB-CD1 3.48Å; P230-F241 VanDerWaalsContact CB-CD1 3.48Å; P230-F241 HydrophobicContact CB-CD2 4.39Å; P230-F241 HydrophobicContact CB-CE1 3.23Å; P230-F241 HydrophobicContact CB-CE2 4.19Å; P230-F241 HydrophobicContact CB-CG 4.06Å; P230-F241 HydrophobicContact CB-CZ 3.61Å; P230-F241 HydrophobicContact CG-CD1 4.48Å; P230-F241 HydrophobicContact CG-CE1 4.04Å; L231-F241 WeakPolarHBondContact O-CD2 3.4Å; P232-F241 HydrophobicContact CG-CB 4.22Å; T238-F241 WeakPolarHBondContact O-CB 3.45Å; T238-F241 VanDerWaalsContact O-CD2 3.29Å; T238-F241 WeakPolarHBondContact O-CD2 3.38Å; T238-F241 PolarHBondContact O-N 3.3Å; I239-F241 PolarHBondContact O-N 2.8Å; I239-F241 VanDerWaalsContact O-N 3.08Å; F241-F243 VanDerWaalsContact C-N 3.28Å; F241-F243 PolarHBondContact O-N 2.65Å; F241-P247 HydrophobicContact CD1-CG 3.33Å; F241-P247 VanDerWaalsContact CE1-CD 3.5Å; F241-P247 HydrophobicContact CE1-CG 3.33Å; F241-P247 HydrophobicContact CG-CG 3.97Å; F241-P247 HydrophobicContact CZ-CG 4Å; F241-R301 WeakPolarHBondContact O-CD 3.33Å; F241-R301 PolarHBondContact O-NE 3.21Å; F241-R301 PolarHBondContact O-NH1 2.93Å; F241-R301 PolarHBondContact O-NH2 3.41Å
242D95.3Very high96.7Very high60 Ų6039.7 Ų39.732%0.32122%0.221SC..G310 helixtrans-69.4-29175.4-73.2-22.8000112.4P232 I239 L240 H300 R301P232-D242 VanDerWaalsContact CD-OD1 3.27Å; P232-D242 WeakPolarHBondContact CD-OD1 3.36Å; P232-D242 HydrophobicContact CG-CB 4.45Å; P232-D242 WeakPolarHBondContact CG-OD1 3.34Å; P232-D242 WeakPolarHBondContact CG-OD2 3.5Å; I239-D242 WeakPolarHBondContact O-CB 3.39Å; I239-D242 PolarHBondContact O-N 2.77Å; L240-D242 PolarHBondContact O-N 3.41Å; D242-H300 PolarHBondContact O-CD2 3.06Å; D242-H300 PolarHBondContact O-NE2 3.35Å; D242-R301 WeakPolarHBondContact O-CG 3.43Å; D242-R301 IonicContact OD1-NH2 2.77Å
243F96.2Very high96.9Very high75 Ų7537.9 Ų37.933%0.32921%0.209SC..THydrogen-bonded Turntrans-99.5-34.4-175.4-55.7-78.4000112.8L240 F241 R301 R302 P306 F307L240-F243 HydrophobicContact CD1-CD2 4.44Å; L240-F243 PolarHBondContact O-N 3.06Å; F241-F243 VanDerWaalsContact C-N 3.28Å; F241-F243 PolarHBondContact O-N 2.65Å; F243-R301 WeakPolarHBondContact O-CA 3.47Å; F243-R302 PolarHBondContact O-N 2.97Å; F243-P306 HydrophobicContact CB-CB 4.16Å; F243-P306 HydrophobicContact CB-CG 4.44Å; F243-F307 AromaticContact CD1-CE1 3.74Å; F243-F307 HydrophobicContact CD1-CE1 3.74Å; F243-F307 AromaticContact CD1-CZ 3.62Å; F243-F307 HydrophobicContact CD1-CZ 3.62Å; F243-F307 AromaticContact CE1-CE1 4Å; F243-F307 HydrophobicContact CE1-CE1 4Å; F243-F307 AromaticContact CE1-CZ 3.75Å; F243-F307 HydrophobicContact CE1-CZ 3.75Å; F243-F307 HydrophobicContact CG-CZ 4.47Å
244V97Very high97.1Very high0 Ų037.5 Ų37.50%020%0.204CC..BIsolated β-bridgetrans-136.1156.7-174.5-51.20000113.5L240 P247 R302 P306L240-V244 HydrophobicContact CD2-CG2 4.37Å; L240-V244 HydrophobicContact CG-CG2 3.93Å; L240-V244 PolarHBondContact O-N 3.38Å; V244-P247 HydrophobicContact CG2-CB 3.7Å; V244-P247 HydrophobicContact CG2-CG 4.32Å; V244-R302 CarbonylContact C-O 3.52Å; V244-R302 WeakPolarHBondContact CA-O 3.29Å; V244-R302 HydrophobicContact CG1-CB 4.38Å; V244-P306 HydrophobicContact CG1-CB 4.38Å; V244-P306 HydrophobicContact CG1-CG 3.89Å
245S95.8Very high97.2Very high2 Ų231.3 Ų31.31%0.01416%0.16CC..SBendtrans-80.5-33.8-174.3-52.80000113.6P247 H287 Y297 R302 A303S245-P247 VanDerWaalsContact C-CD 3.44Å; S245-H287 PolarHBondContact OG-ND1 3.25Å; S245-Y297 WeakPolarHBondContact CB-OH 3.4Å; S245-Y297 PolarHBondContact OG-OH 2.87Å; S245-R302 PolarHBondContact N-O 2.84Å; S245-R302 PolarHBondContact OG-O 3.2Å; S245-A303 WeakPolarHBondContact CB-O 3.28Å; S245-A303 PolarHBondContact N-O 3.19Å
246V95.4Very high97.3Very high0 Ų029.1 Ų29.10%015%0.148CC..  trans-13262.3-171.4-159.40000110.5N248 Y249 A283 K286 A303V246-N248 WeakPolarHBondContact CG1-OD1 3.25Å; V246-N248 PolarHBondContact O-N 2.82Å; V246-N248 VanDerWaalsContact O-N 3.12Å; V246-Y249 HydrophobicContact CB-CD2 4.03Å; V246-Y249 HydrophobicContact CB-CE2 4.46Å; V246-Y249 HydrophobicContact CB-CG 4.48Å; V246-Y249 HydrophobicContact CG1-CD1 4.21Å; V246-Y249 HydrophobicContact CG1-CD2 3.4Å; V246-Y249 VanDerWaalsContact CG1-CD2 3.4Å; V246-Y249 HydrophobicContact CG1-CE1 4.35Å; V246-Y249 HydrophobicContact CG1-CE2 3.56Å; V246-Y249 HydrophobicContact CG1-CG 3.74Å; V246-Y249 PolarHBondContact O-N 3.39Å; V246-A283 HydrophobicContact CB-CB 4.33Å; V246-A283 HydrophobicContact CG2-CB 4.1Å; V246-K286 HydrophobicContact CG1-CD 4.39Å; V246-K286 HydrophobicContact CG2-CB 4.17Å; V246-K286 HydrophobicContact CG2-CD 3.78Å; V246-K286 HydrophobicContact CG2-CG 4.16Å; V246-A303 PolarHBondContact N-O 2.86Å
247P97.3Very high97.4Very high0 Ų027.6 Ų27.60%013%0.132CC..Hα-helixtrans-64.1-19.9-171.722.2-30.7000114.3I212 L240 F241 V244 S245 Y249 T250 Y251I212-P247 HydrophobicContact CD1-CB 3.98Å; I212-P247 HydrophobicContact CD1-CG 3.65Å; I212-P247 HydrophobicContact CG1-CB 3.95Å; I212-P247 HydrophobicContact CG1-CG 3.88Å; I212-P247 HydrophobicContact CG2-CG 3.83Å; L240-P247 HydrophobicContact CB-CB 3.81Å; L240-P247 HydrophobicContact CD2-CB 3.7Å; L240-P247 HydrophobicContact CG-CB 3.88Å; F241-P247 HydrophobicContact CD1-CG 3.33Å; F241-P247 VanDerWaalsContact CE1-CD 3.5Å; F241-P247 HydrophobicContact CE1-CG 3.33Å; F241-P247 HydrophobicContact CG-CG 3.97Å; F241-P247 HydrophobicContact CZ-CG 4Å; V244-P247 HydrophobicContact CG2-CB 3.7Å; V244-P247 HydrophobicContact CG2-CG 4.32Å; S245-P247 VanDerWaalsContact C-CD 3.44Å; P247-Y249 VanDerWaalsContact C-N 3.26Å; P247-Y249 PolarHBondContact O-N 3.35Å; P247-T250 WeakPolarHBondContact CA-OG1 3.47Å; P247-T250 WeakPolarHBondContact O-CB 3.44Å; P247-T250 PolarHBondContact O-N 3.31Å; P247-T250 VanDerWaalsContact O-N 3.16Å; P247-Y251 WeakPolarHBondContact O-CD2 3.45Å; P247-Y251 PolarHBondContact O-N 2.86Å
248N97.8Very high97.4Very high8 Ų825.7 Ų25.74%0.04312%0.124CC..Hα-helixtrans-62-37.4173.759.6-59.7000111N209 I212 H213 M216 V246 E252N209-N248 PolarHBondContact ND2-O 3.05Å; I212-N248 HydrophobicContact CB-CB 3.89Å; I212-N248 HydrophobicContact CG2-CB 3.57Å; H213-N248 PolarHBondContact NE2-ND2 2.95Å; M216-N248 HydrophobicContact CE-CB 4.19Å; V246-N248 WeakPolarHBondContact CG1-OD1 3.25Å; V246-N248 PolarHBondContact O-N 2.82Å; V246-N248 VanDerWaalsContact O-N 3.12Å; N248-E252 VanDerWaalsContact O-CB 3.3Å; N248-E252 WeakPolarHBondContact O-CB 3.4Å; N248-E252 PolarHBondContact O-N 3.15Å
249Y98.1Very high97.5Very high56 Ų5625.7 Ų25.722%0.2212%0.124CC..Hα-helixtrans-70-36.8174.5-63-14.9000111.6V246 P247 Y251 E252 I253 M279 W282 A283V246-Y249 HydrophobicContact CB-CD2 4.03Å; V246-Y249 HydrophobicContact CB-CE2 4.46Å; V246-Y249 HydrophobicContact CB-CG 4.48Å; V246-Y249 HydrophobicContact CG1-CD1 4.21Å; V246-Y249 HydrophobicContact CG1-CD2 3.4Å; V246-Y249 VanDerWaalsContact CG1-CD2 3.4Å; V246-Y249 HydrophobicContact CG1-CE1 4.35Å; V246-Y249 HydrophobicContact CG1-CE2 3.56Å; V246-Y249 HydrophobicContact CG1-CG 3.74Å; V246-Y249 PolarHBondContact O-N 3.39Å; P247-Y249 VanDerWaalsContact C-N 3.26Å; P247-Y249 PolarHBondContact O-N 3.35Å; Y249-Y251 PolarHBondContact O-N 2.97Å; Y249-E252 WeakPolarHBondContact O-CB 3.05Å; Y249-E252 PolarHBondContact O-N 2.88Å; Y249-I253 WeakPolarHBondContact O-CB 3.36Å; Y249-I253 WeakPolarHBondContact O-CG1 3.22Å; Y249-I253 PolarHBondContact O-N 3.01Å; Y249-M279 HydrophobicContact CD1-CG 4.16Å; Y249-M279 HydrophobicContact CD1-SD 3.78Å; Y249-M279 HydrophobicContact CD2-CB 3.94Å; Y249-M279 HydrophobicContact CD2-CG 4.25Å; Y249-M279 HydrophobicContact CG-CB 4.01Å; Y249-M279 HydrophobicContact CG-CG 4.01Å; Y249-M279 HydrophobicContact CG-SD 3.85Å; Y249-W282 HydrophobicContact CE2-CB 3.98Å; Y249-A283 HydrophobicContact CD2-CB 4.21Å
250T97.9Very high97.5Very high18 Ų1821.6 Ų21.611%0.1110%0.104CC..Hα-helixtrans-58.7-48.1174.4-40.80000111.5L240 P247 I253 L254 I304L240-T250 HydrophobicContact CD2-CG2 3.98Å; P247-T250 WeakPolarHBondContact CA-OG1 3.47Å; P247-T250 WeakPolarHBondContact O-CB 3.44Å; P247-T250 PolarHBondContact O-N 3.31Å; P247-T250 VanDerWaalsContact O-N 3.16Å; T250-I253 PolarHBondContact O-N 3.42Å; T250-L254 PolarHBondContact O-N 3.48Å; T250-I304 WeakPolarHBondContact CB-O 2.99Å; T250-I304 WeakPolarHBondContact CG2-O 3.11Å; T250-I304 PolarHBondContact OG1-O 2.97Å
251Y98.5Very high97.5Very high24 Ų2424.6 Ų24.69%0.09412%0.119CC..Hα-helixtrans-68-36.7177.8-77.1-59.4000113.1G205 G208 I212 F237 L240 P247 Y249 L254 A255G205-Y251 WeakPolarHBondContact CA-O 3.47Å; G205-Y251 WeakPolarHBondContact O-CB 3.41Å; G208-Y251 WeakPolarHBondContact O-CD2 2.93Å; I212-Y251 HydrophobicContact CD1-CE2 4.17Å; I212-Y251 HydrophobicContact CG1-CD2 3.77Å; I212-Y251 HydrophobicContact CG1-CE2 3.77Å; F237-Y251 HydrophobicContact CD1-CE1 4.01Å; F237-Y251 AromaticContact CD1-CZ 3.89Å; F237-Y251 WeakPolarHBondContact O-CE2 3.31Å; F237-Y251 PolarHBondContact O-OH 2.92Å; L240-Y251 HydrophobicContact CB-CE2 4.41Å; L240-Y251 HydrophobicContact CD2-CD2 4.3Å; L240-Y251 HydrophobicContact CD2-CE1 4.5Å; L240-Y251 HydrophobicContact CD2-CE2 3.84Å; P247-Y251 WeakPolarHBondContact O-CD2 3.45Å; P247-Y251 PolarHBondContact O-N 2.86Å; Y249-Y251 PolarHBondContact O-N 2.97Å; Y251-L254 HydrophobicContact CD1-CD2 4.39Å; Y251-L254 PolarHBondContact O-N 3.23Å; Y251-A255 WeakPolarHBondContact O-CB 3.17Å; Y251-A255 PolarHBondContact O-N 2.94Å
252E98.5Very high97.5Very high13 Ų1324.5 Ų24.56%0.06112%0.119CC..Hα-helixtrans-59.7-47.6173.6-172.775.2178.100111.3H138 R142 N209 N248 Y249 A255 W256 M279H138-E252 IonicContact CE1-OE1 3.85Å; H138-E252 PolarHBondContact CE1-OE1 2.81Å; H138-E252 IonicContact CE1-OE2 3.5Å; H138-E252 PolarHBondContact CE1-OE2 2.68Å; H138-E252 IonicContact NE2-OE1 3.57Å; H138-E252 PolarHBondContact NE2-OE1 3.24Å; R142-E252 IonicContact CZ-OE1 3.26Å; R142-E252 IonicContact CZ-OE2 3.6Å; R142-E252 IonicContact NH1-OE1 2.92Å; R142-E252 PolarHBondContact NH1-OE1 2.88Å; R142-E252 IonicContact NH1-OE2 2.95Å; R142-E252 PolarHBondContact NH1-OE2 2.84Å; R142-E252 IonicContact NH2-OE2 3.85Å; R142-E252 PolarHBondContact NH2-OE2 3.14Å; N209-E252 PolarHBondContact ND2-OE2 2.89Å; N248-E252 VanDerWaalsContact O-CB 3.3Å; N248-E252 WeakPolarHBondContact O-CB 3.4Å; N248-E252 PolarHBondContact O-N 3.15Å; Y249-E252 WeakPolarHBondContact O-CB 3.05Å; Y249-E252 PolarHBondContact O-N 2.88Å; E252-A255 PolarHBondContact O-N 2.78Å; E252-W256 PolarHBondContact O-N 3Å; E252-W256 VanDerWaalsContact O-N 3.08Å; E252-W256 PolarHBondContact OE1-NE1 2.93Å; E252-M279 HydrophobicContact CB-CE 4.26Å; E252-M279 HydrophobicContact CB-SD 4.02Å; E252-M279 HydrophobicContact CG-CE 3.87Å; E252-M279 HydrophobicContact CG-SD 3.84Å
253I98.4Very high97.6Very high5 Ų521.7 Ų21.73%0.02610%0.104CC..Hα-helixtrans-60.5-49.3176.8-71171.9000109.6Y249 T250 A255 W256 F257 A276 M279 I304 F305Y249-I253 WeakPolarHBondContact O-CB 3.36Å; Y249-I253 WeakPolarHBondContact O-CG1 3.22Å; Y249-I253 PolarHBondContact O-N 3.01Å; T250-I253 PolarHBondContact O-N 3.42Å; I253-A255 VanDerWaalsContact C-N 3.29Å; I253-A255 PolarHBondContact O-N 3.24Å; I253-W256 PolarHBondContact O-N 2.76Å; I253-F257 HydrophobicContact CG2-CD2 3.39Å; I253-F257 HydrophobicContact CG2-CE2 3.44Å; I253-F257 VanDerWaalsContact CG2-CE2 3.44Å; I253-F257 WeakPolarHBondContact O-CB 3.4Å; I253-F257 VanDerWaalsContact O-CD2 3.31Å; I253-F257 WeakPolarHBondContact O-CD2 3.48Å; I253-F257 PolarHBondContact O-N 3.24Å; I253-A276 HydrophobicContact CD1-CB 3.82Å; I253-A276 HydrophobicContact CG1-CB 3.93Å; I253-A276 HydrophobicContact CG2-CB 4.23Å; I253-M279 HydrophobicContact CD1-CE 4.1Å; I253-M279 HydrophobicContact CG1-CE 3.39Å; I253-M279 HydrophobicContact CG1-SD 4.37Å; I253-I304 HydrophobicContact CD1-CD1 3.57Å; I253-I304 HydrophobicContact CD1-CG1 4.34Å; I253-F305 HydrophobicContact CD1-CE1 4.28Å; I253-F305 HydrophobicContact CD1-CZ 3.84Å; I253-F305 HydrophobicContact CG2-CE1 4.14Å; I253-F305 HydrophobicContact CG2-CZ 4.16Å
254L98.4Very high97.5Very high69 Ų6922.2 Ų22.236%0.36111%0.107SC..Hα-helixtrans-53.9-45.9175.9175.164.2000111.7I204 T250 Y251 S258I204-L254 HydrophobicContact CG2-CD2 4.13Å; T250-L254 PolarHBondContact O-N 3.48Å; Y251-L254 HydrophobicContact CD1-CD2 4.39Å; Y251-L254 PolarHBondContact O-N 3.23Å; L254-S258 VanDerWaalsContact O-CB 3.23Å; L254-S258 WeakPolarHBondContact O-CB 3.41Å; L254-S258 PolarHBondContact O-N 2.88Å; L254-S258 PolarHBondContact O-OG 3.07Å
255A98.8Very high97.5Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-59-52.4179.600000110.9F202 Y251 E252 I253 S258 F259F202-A255 HydrophobicContact CD2-CB 4.03Å; F202-A255 WeakPolarHBondContact CD2-O 3.48Å; F202-A255 HydrophobicContact CE2-CB 4.28Å; Y251-A255 WeakPolarHBondContact O-CB 3.17Å; Y251-A255 PolarHBondContact O-N 2.94Å; E252-A255 PolarHBondContact O-N 2.78Å; I253-A255 VanDerWaalsContact C-N 3.29Å; I253-A255 PolarHBondContact O-N 3.24Å; A255-S258 PolarHBondContact O-N 3.48Å; A255-F259 WeakPolarHBondContact O-CB 3.47Å; A255-F259 PolarHBondContact O-N 3.24Å
256W98.8Very high97.5Very high8 Ų828.2 Ų28.23%0.0314%0.139CC..Hα-helixtrans-72.1-33.3-175.8-66121.5000114.4W135 H138 Y139 F202 E252 I253 F259 S260 F271 A272W135-W256 HydrophobicContact CD2-CH2 4.42Å; W135-W256 HydrophobicContact CE3-CH2 4.01Å; W135-W256 AromaticContact CE3-CZ3 3.77Å; W135-W256 HydrophobicContact CE3-CZ3 3.77Å; W135-W256 HydrophobicContact CZ3-CH2 4.15Å; W135-W256 AromaticContact CZ3-CZ3 3.86Å; W135-W256 HydrophobicContact CZ3-CZ3 3.86Å; H138-W256 HydrophobicContact CB-CH2 4.29Å; H138-W256 HydrophobicContact CB-CZ2 4.35Å; H138-W256 AromaticContact CD2-CH2 3.96Å; H138-W256 AromaticContact CD2-CZ2 3.34Å; H138-W256 WeakPolarHBondContact CD2-CZ2 3.45Å; H138-W256 AromaticContact CE1-CE2 3.78Å; H138-W256 AromaticContact CE1-CZ2 3.56Å; H138-W256 AromaticContact CE1-NE1 3.66Å; H138-W256 AromaticContact CG-CH2 3.92Å; H138-W256 AromaticContact CG-CZ2 3.51Å; H138-W256 AromaticContact ND1-CZ2 3.65Å; H138-W256 AromaticContact NE2-CE2 3.98Å; H138-W256 AromaticContact NE2-CZ2 3.41Å; H138-W256 WeakPolarHBondContact NE2-CZ2 3.46Å; H138-W256 AromaticContact NE2-NE1 3.99Å; Y139-W256 AromaticContact CE2-CH2 3.84Å; Y139-W256 HydrophobicContact CE2-CH2 3.84Å; Y139-W256 HydrophobicContact CE2-CZ2 4.15Å; F202-W256 HydrophobicContact CE2-CZ3 4.45Å; E252-W256 PolarHBondContact O-N 3Å; E252-W256 VanDerWaalsContact O-N 3.08Å; E252-W256 PolarHBondContact OE1-NE1 2.93Å; I253-W256 PolarHBondContact O-N 2.76Å; W256-F259 HydrophobicContact CE3-CB 4.14Å; W256-F259 HydrophobicContact CE3-CD1 4.34Å; W256-F259 HydrophobicContact CE3-CG 4.18Å; W256-F259 HydrophobicContact CZ3-CD1 4.43Å; W256-F259 HydrophobicContact CZ3-CG 4.3Å; W256-F259 PolarHBondContact O-N 2.98Å; W256-S260 WeakPolarHBondContact O-CB 3.29Å; W256-S260 PolarHBondContact O-N 2.66Å; W256-S260 PolarHBondContact O-OG 2.75Å; W256-F271 HydrophobicContact CD2-CD1 4.14Å; W256-F271 AromaticContact CD2-CE1 3.45Å; W256-F271 HydrophobicContact CD2-CE1 3.45Å; W256-F271 VanDerWaalsContact CD2-CE1 3.45Å; W256-F271 HydrophobicContact CD2-CZ 4.44Å; W256-F271 AromaticContact CE2-CE1 3.51Å; W256-F271 HydrophobicContact CE3-CD1 4.14Å; W256-F271 AromaticContact CE3-CE1 3.7Å; W256-F271 HydrophobicContact CE3-CE1 3.7Å; W256-F271 HydrophobicContact CG-CD1 4.36Å; W256-F271 AromaticContact CG-CE1 3.86Å; W256-F271 HydrophobicContact CG-CE1 3.86Å; W256-F271 HydrophobicContact CH2-CE1 4.02Å; W256-F271 AromaticContact CZ2-CE1 3.77Å; W256-F271 HydrophobicContact CZ2-CE1 3.77Å; W256-F271 HydrophobicContact CZ2-CZ 4.16Å; W256-F271 AromaticContact CZ3-CE1 3.99Å; W256-F271 HydrophobicContact CZ3-CE1 3.99Å; W256-F271 AromaticContact NE1-CE1 3.99Å; W256-A272 HydrophobicContact CB-CB 3.79Å
257F98.3Very high97.7Very high68 Ų6828.6 Ų28.630%0.29814%0.142SC..Hα-helixtrans-63.5-43.1168.5-88.9-79.1000111.4I253 S260 I261 L269 A272 M273 A276I253-F257 HydrophobicContact CG2-CD2 3.39Å; I253-F257 HydrophobicContact CG2-CE2 3.44Å; I253-F257 VanDerWaalsContact CG2-CE2 3.44Å; I253-F257 WeakPolarHBondContact O-CB 3.4Å; I253-F257 VanDerWaalsContact O-CD2 3.31Å; I253-F257 WeakPolarHBondContact O-CD2 3.48Å; I253-F257 PolarHBondContact O-N 3.24Å; F257-S260 WeakPolarHBondContact O-CB 3.4Å; F257-S260 PolarHBondContact O-N 3.34Å; F257-S260 VanDerWaalsContact O-N 3.14Å; F257-I261 WeakPolarHBondContact O-CG1 3.41Å; F257-I261 PolarHBondContact O-N 2.82Å; F257-L269 HydrophobicContact CD1-CD1 3.88Å; F257-L269 HydrophobicContact CE1-CD1 3.77Å; F257-A272 HydrophobicContact CD2-CB 4.38Å; F257-A272 HydrophobicContact CG-CB 4.45Å; F257-M273 HydrophobicContact CE1-SD 3.64Å; F257-M273 HydrophobicContact CE2-SD 4.38Å; F257-M273 HydrophobicContact CZ-CG 4.43Å; F257-M273 HydrophobicContact CZ-SD 3.28Å; F257-M273 WeakPolarHBondContact CZ-SD 3.19Å; F257-A276 HydrophobicContact CE2-CB 4.33Å
258S98.4Very high97.7Very high10 Ų1028.7 Ų28.77%0.0714%0.142CC..Hα-helixtrans-66.3-38.3178.2-54.70000112G198 G201 F202 L254 A255 S260 I261 M262G198-S258 VanDerWaalsContact CA-O 3.31Å; G198-S258 WeakPolarHBondContact CA-O 3.3Å; G198-S258 VanDerWaalsContact O-CB 3.22Å; G198-S258 WeakPolarHBondContact O-CB 3.13Å; G201-S258 WeakPolarHBondContact CA-OG 3.41Å; F202-S258 VanDerWaalsContact N-CB 3.31Å; L254-S258 VanDerWaalsContact O-CB 3.23Å; L254-S258 WeakPolarHBondContact O-CB 3.41Å; L254-S258 PolarHBondContact O-N 2.88Å; L254-S258 PolarHBondContact O-OG 3.07Å; A255-S258 PolarHBondContact O-N 3.48Å; S258-S260 VanDerWaalsContact C-N 3.29Å; S258-S260 PolarHBondContact O-N 3Å; S258-I261 PolarHBondContact O-N 2.87Å; S258-M262 WeakPolarHBondContact O-CB 3.29Å; S258-M262 PolarHBondContact O-N 2.84Å
259F98.5Very high97.7Very high1 Ų131.6 Ų31.60%0.00416%0.158CC..Hα-helixtrans-59.9-39.9170.8-176.3-89.6000111.8A131 C134 W135 V176 I180 F202 A255 W256 M262 T263 A268A131-F259 HydrophobicContact CB-CE2 4.02Å; A131-F259 HydrophobicContact CB-CZ 3.91Å; C134-F259 HydrophobicContact CB-CD2 3.97Å; C134-F259 HydrophobicContact CB-CE2 3.93Å; W135-F259 HydrophobicContact CE3-CE1 4.23Å; W135-F259 AromaticContact CE3-CZ 3.95Å; W135-F259 HydrophobicContact CE3-CZ 3.95Å; W135-F259 HydrophobicContact CZ3-CE1 4.46Å; V176-F259 HydrophobicContact CG1-CE1 4.13Å; I180-F259 HydrophobicContact CD1-CE1 3.76Å; I180-F259 HydrophobicContact CD1-CZ 3.9Å; F202-F259 HydrophobicContact CD2-CB 3.87Å; F202-F259 HydrophobicContact CD2-CD2 4.24Å; F202-F259 HydrophobicContact CE2-CB 4.27Å; F202-F259 HydrophobicContact CE2-CD2 4.14Å; A255-F259 WeakPolarHBondContact O-CB 3.47Å; A255-F259 PolarHBondContact O-N 3.24Å; W256-F259 HydrophobicContact CE3-CB 4.14Å; W256-F259 HydrophobicContact CE3-CD1 4.34Å; W256-F259 HydrophobicContact CE3-CG 4.18Å; W256-F259 HydrophobicContact CZ3-CD1 4.43Å; W256-F259 HydrophobicContact CZ3-CG 4.3Å; W256-F259 PolarHBondContact O-N 2.98Å; F259-M262 HydrophobicContact CD2-CE 3.67Å; F259-M262 HydrophobicContact CE2-CE 3.85Å; F259-M262 HydrophobicContact CG-CE 4.45Å; F259-M262 PolarHBondContact O-N 3.04Å; F259-T263 HydrophobicContact CD1-CG2 4.22Å; F259-T263 HydrophobicContact CE1-CG2 3.89Å; F259-T263 HydrophobicContact CE2-CG2 4.26Å; F259-T263 HydrophobicContact CZ-CG2 3.92Å; F259-T263 WeakPolarHBondContact O-CB 3.37Å; F259-T263 WeakPolarHBondContact O-CG2 3.43Å; F259-T263 PolarHBondContact O-N 3.08Å; F259-T263 PolarHBondContact O-OG1 2.81Å; F259-A268 HydrophobicContact CD1-CB 3.98Å; F259-A268 HydrophobicContact CE1-CB 4.06Å
260S97.8Very high97.8Very high9 Ų932.7 Ų32.76%0.06317%0.166CC..Hα-helixtrans-66.6-38.3177.4-55.60000111.9W256 F257 S258 Q264 A268 L269W256-S260 WeakPolarHBondContact O-CB 3.29Å; W256-S260 PolarHBondContact O-N 2.66Å; W256-S260 PolarHBondContact O-OG 2.75Å; F257-S260 WeakPolarHBondContact O-CB 3.4Å; F257-S260 PolarHBondContact O-N 3.34Å; F257-S260 VanDerWaalsContact O-N 3.14Å; S258-S260 VanDerWaalsContact C-N 3.29Å; S258-S260 PolarHBondContact O-N 3Å; S260-Q264 VanDerWaalsContact O-CA 3.26Å; S260-Q264 WeakPolarHBondContact O-CA 3.34Å; S260-Q264 PolarHBondContact O-N 2.65Å; S260-A268 PolarHBondContact OG-O 3.15Å; S260-L269 WeakPolarHBondContact OG-CA 3.42Å; S260-L269 PolarHBondContact OG-N 3.39Å; S260-L269 VanDerWaalsContact OG-N 3.15Å
261I96Very high97.8Very high89 Ų8932.1 Ų32.146%0.45616%0.162SC..Hα-helixtrans-66.7-45.7172.5-66.7167.6000110.7F257 S258 T263 Q264F257-I261 WeakPolarHBondContact O-CG1 3.41Å; F257-I261 PolarHBondContact O-N 2.82Å; S258-I261 PolarHBondContact O-N 2.87Å; I261-T263 VanDerWaalsContact C-N 3.27Å; I261-T263 PolarHBondContact O-N 2.8Å; I261-Q264 PolarHBondContact O-N 3.45Å
262M96.8Very high97.8Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-58-40.8179.6-176.8-175.370.600111.5V127 L130 A131 C134 P188 M195 L199 S258 F259V127-M262 HydrophobicContact CG2-CG 4.35Å; V127-M262 WeakPolarHBondContact CG2-O 3.44Å; L130-M262 HydrophobicContact CB-SD 4.41Å; A131-M262 HydrophobicContact CB-CE 4.29Å; C134-M262 HydrophobicContact CB-CE 4.39Å; P188-M262 WeakPolarHBondContact CG-O 3.45Å; M195-M262 HydrophobicContact CG-CG 4.12Å; L199-M262 HydrophobicContact CB-SD 3.92Å; L199-M262 HydrophobicContact CD1-SD 4.03Å; S258-M262 WeakPolarHBondContact O-CB 3.29Å; S258-M262 PolarHBondContact O-N 2.84Å; F259-M262 HydrophobicContact CD2-CE 3.67Å; F259-M262 HydrophobicContact CE2-CE 3.85Å; F259-M262 HydrophobicContact CG-CE 4.45Å; F259-M262 PolarHBondContact O-N 3.04Å
263T96.1Very high97.8Very high0 Ų035.4 Ų35.40%018%0.18CC..Hα-helixtrans-97.6-14.3-173.959.20000113.5A131 I180 Y185 F259 I261 C265A131-T263 HydrophobicContact CB-CG2 3.78Å; I180-T263 HydrophobicContact CD1-CG2 3.84Å; Y185-T263 WeakPolarHBondContact CE2-O 3.37Å; Y185-T263 PolarHBondContact OH-O 3.22Å; F259-T263 HydrophobicContact CD1-CG2 4.22Å; F259-T263 HydrophobicContact CE1-CG2 3.89Å; F259-T263 HydrophobicContact CE2-CG2 4.26Å; F259-T263 HydrophobicContact CZ-CG2 3.92Å; F259-T263 WeakPolarHBondContact O-CB 3.37Å; F259-T263 WeakPolarHBondContact O-CG2 3.43Å; F259-T263 PolarHBondContact O-N 3.08Å; F259-T263 PolarHBondContact O-OG1 2.81Å; I261-T263 VanDerWaalsContact C-N 3.27Å; I261-T263 PolarHBondContact O-N 2.8Å; T263-C265 PolarHBondContact O-N 3.2Å; T263-C265 VanDerWaalsContact O-N 3.13Å
264Q95.4Very high97.7Very high86 Ų8638 Ų3840%0.40220%0.198SC..THydrogen-bonded Turntrans44.440.6-170.3-72.3-160.6-124.400113.1P188 H189 S260 I261P188-Q264 VanDerWaalsContact C-OE1 3.24Å; P188-Q264 HydrophobicContact CB-CG 3.88Å; P188-Q264 HydrophobicContact CG-CB 4.44Å; P188-Q264 HydrophobicContact CG-CG 4.16Å; H189-Q264 PolarHBondContact O-OE1 3.25Å; S260-Q264 VanDerWaalsContact O-CA 3.26Å; S260-Q264 WeakPolarHBondContact O-CA 3.34Å; S260-Q264 PolarHBondContact O-N 2.65Å; I261-Q264 PolarHBondContact O-N 3.45Å
265C95.5Very high97.7Very high9 Ų935.1 Ų35.16%0.06119%0.185CC..  trans-104.1115.9-176.9-178.40000110.2I180 T263 P267 A268 L269I180-C265 HydrophobicContact CD1-CB 4.18Å; I180-C265 HydrophobicContact CG1-CB 3.83Å; T263-C265 PolarHBondContact O-N 3.2Å; T263-C265 VanDerWaalsContact O-N 3.13Å; C265-P267 VanDerWaalsContact SG-CD 3.55Å; C265-A268 HydrophobicContact CB-CB 3.9Å; C265-A268 WeakPolarHBondContact O-CB 3.21Å; C265-A268 PolarHBondContact O-N 2.85Å; C265-L269 PolarHBondContact O-N 3.39Å; C265-L269 VanDerWaalsContact O-N 3.12Å
266L97.2Very high97.7Very high119 Ų11935.6 Ų35.662%0.62319%0.189SC*.Hα-helixtrans-57.3-46.5178.7174.564.8000112.6A268 L269 M270L266-A268 PolarHBondContact O-N 2.6Å; L266-L269 WeakPolarHBondContact O-CB 3.4Å; L266-L269 PolarHBondContact O-N 2.85Å; L266-L269 VanDerWaalsContact O-N 3.07Å; L266-M270 HydrophobicContact CD1-CG 4.37Å; L266-M270 HydrophobicContact CG-CG 4.48Å; L266-M270 HydrophobicContact CG-SD 4.27Å; L266-M270 WeakPolarHBondContact O-CG 3.46Å; L266-M270 PolarHBondContact O-N 3.45Å
267P98.3Very high97.6Very high8 Ų843.1 Ų43.15%0.05222%0.219CC..Hα-helixtrans-51.9-37.8170.9-31.534000114.8F175 V176 H179 C265 M270 F271F175-P267 HydrophobicContact CD1-CB 3.7Å; F175-P267 HydrophobicContact CD1-CG 4.24Å; F175-P267 HydrophobicContact CD2-CB 4.3Å; F175-P267 HydrophobicContact CD2-CG 4.18Å; F175-P267 HydrophobicContact CE1-CB 3.71Å; F175-P267 HydrophobicContact CE1-CG 3.89Å; F175-P267 HydrophobicContact CE2-CB 4.33Å; F175-P267 HydrophobicContact CE2-CG 3.84Å; F175-P267 HydrophobicContact CG-CB 3.99Å; F175-P267 HydrophobicContact CG-CG 4.37Å; F175-P267 HydrophobicContact CZ-CB 4.04Å; F175-P267 HydrophobicContact CZ-CG 3.68Å; V176-P267 HydrophobicContact CG2-CB 4.02Å; H179-P267 HydrophobicContact CB-CG 4.13Å; C265-P267 VanDerWaalsContact SG-CD 3.55Å; P267-M270 PolarHBondContact O-N 2.83Å; P267-F271 PolarHBondContact O-N 3.21Å
268A98.4Very high97.6Very high2 Ų242.4 Ų42.42%0.01722%0.216CC..Hα-helixtrans-68.1-40.217800000111.2V176 F259 S260 C265 L266 F271 A272V176-A268 HydrophobicContact CG1-CB 4.05Å; V176-A268 HydrophobicContact CG2-CB 4.35Å; F259-A268 HydrophobicContact CD1-CB 3.98Å; F259-A268 HydrophobicContact CE1-CB 4.06Å; S260-A268 PolarHBondContact OG-O 3.15Å; C265-A268 HydrophobicContact CB-CB 3.9Å; C265-A268 WeakPolarHBondContact O-CB 3.21Å; C265-A268 PolarHBondContact O-N 2.85Å; L266-A268 PolarHBondContact O-N 2.6Å; A268-F271 WeakPolarHBondContact O-CB 3.18Å; A268-F271 PolarHBondContact O-N 3.08Å; A268-A272 PolarHBondContact O-N 3.18Å
269L98.4Very high97.5Very high69 Ų6942.8 Ų42.836%0.36122%0.217SC..Hα-helixtrans-64.2-41.5173.9-178.661.7000111.3F257 S260 C265 L266 F271 A272 M273F257-L269 HydrophobicContact CD1-CD1 3.88Å; F257-L269 HydrophobicContact CE1-CD1 3.77Å; S260-L269 WeakPolarHBondContact OG-CA 3.42Å; S260-L269 PolarHBondContact OG-N 3.39Å; S260-L269 VanDerWaalsContact OG-N 3.15Å; C265-L269 PolarHBondContact O-N 3.39Å; C265-L269 VanDerWaalsContact O-N 3.12Å; L266-L269 WeakPolarHBondContact O-CB 3.4Å; L266-L269 PolarHBondContact O-N 2.85Å; L266-L269 VanDerWaalsContact O-N 3.07Å; L269-F271 VanDerWaalsContact C-N 3.34Å; L269-F271 PolarHBondContact O-N 3.43Å; L269-A272 PolarHBondContact O-N 3.29Å; L269-M273 HydrophobicContact CD1-CG 4.2Å; L269-M273 HydrophobicContact CG-CG 4.32Å; L269-M273 WeakPolarHBondContact O-CB 3.44Å; L269-M273 VanDerWaalsContact O-CG 3.25Å; L269-M273 WeakPolarHBondContact O-CG 3.3Å; L269-M273 PolarHBondContact O-N 3.3Å
270M98.5Very high97.5Very high80 Ų8043.9 Ų43.939%0.39422%0.224SC..Hα-helixtrans-59.7-45.2175.5-68.9173.466.600111.5F172 F175 L266 P267 A272 M273 C274F172-M270 HydrophobicContact CE1-CB 4.03Å; F175-M270 HydrophobicContact CE1-CE 4.17Å; F175-M270 HydrophobicContact CE1-SD 3.98Å; F175-M270 HydrophobicContact CZ-SD 4.43Å; L266-M270 HydrophobicContact CD1-CG 4.37Å; L266-M270 HydrophobicContact CG-CG 4.48Å; L266-M270 HydrophobicContact CG-SD 4.27Å; L266-M270 WeakPolarHBondContact O-CG 3.46Å; L266-M270 PolarHBondContact O-N 3.45Å; P267-M270 PolarHBondContact O-N 2.83Å; M270-A272 PolarHBondContact O-N 3.41Å; M270-M273 PolarHBondContact O-N 3Å; M270-C274 WeakPolarHBondContact O-CB 3.19Å; M270-C274 PolarHBondContact O-N 3.28Å; M270-C274 PolarHBondContact O-SG 2.9Å; M270-C274 VanDerWaalsContact O-SG 3.35Å
271F98.5Very high97.5Very high6 Ų647 Ų473%0.02624%0.239CC..Hα-helixtrans-57.4-48.5173.7171.2-113.1000111.7Y139 Y168 Y169 F172 V176 W256 P267 A268 L269 M273 C274 G275Y139-F271 WeakPolarHBondContact OH-CZ 3Å; Y168-F271 HydrophobicContact CE1-CD2 4.1Å; Y168-F271 AromaticContact CE1-CE2 3.59Å; Y168-F271 HydrophobicContact CE1-CE2 3.59Å; Y168-F271 HydrophobicContact CE2-CD2 4.39Å; Y168-F271 AromaticContact CZ-CD2 3.68Å; Y168-F271 AromaticContact CZ-CE2 3.65Å; Y168-F271 VanDerWaalsContact OH-CD2 3.25Å; Y168-F271 WeakPolarHBondContact OH-CD2 3.34Å; Y168-F271 WeakPolarHBondContact OH-CE2 3.37Å; Y168-F271 PolarHBondContact OH-O 3.04Å; Y169-F271 HydrophobicContact CD1-CE2 4.31Å; Y169-F271 HydrophobicContact CE1-CE2 4.44Å; Y169-F271 HydrophobicContact CE1-CZ 4.49Å; F172-F271 HydrophobicContact CB-CB 4.29Å; F172-F271 HydrophobicContact CB-CD2 3.56Å; F172-F271 HydrophobicContact CB-CE2 4.24Å; F172-F271 HydrophobicContact CB-CG 4.2Å; F172-F271 HydrophobicContact CD1-CB 3.59Å; F172-F271 HydrophobicContact CD1-CD2 4.22Å; F172-F271 HydrophobicContact CD1-CG 4.36Å; F172-F271 AromaticContact CD2-CD2 3.95Å; F172-F271 HydrophobicContact CD2-CD2 3.95Å; F172-F271 HydrophobicContact CE1-CB 4Å; F172-F271 HydrophobicContact CG-CB 3.95Å; F172-F271 AromaticContact CG-CD2 3.66Å; F172-F271 HydrophobicContact CG-CD2 3.66Å; F172-F271 HydrophobicContact CG-CG 4.23Å; V176-F271 HydrophobicContact CG2-CB 4.38Å; W256-F271 HydrophobicContact CD2-CD1 4.14Å; W256-F271 AromaticContact CD2-CE1 3.45Å; W256-F271 HydrophobicContact CD2-CE1 3.45Å; W256-F271 VanDerWaalsContact CD2-CE1 3.45Å; W256-F271 HydrophobicContact CD2-CZ 4.44Å; W256-F271 AromaticContact CE2-CE1 3.51Å; W256-F271 HydrophobicContact CE3-CD1 4.14Å; W256-F271 AromaticContact CE3-CE1 3.7Å; W256-F271 HydrophobicContact CE3-CE1 3.7Å; W256-F271 HydrophobicContact CG-CD1 4.36Å; W256-F271 AromaticContact CG-CE1 3.86Å; W256-F271 HydrophobicContact CG-CE1 3.86Å; W256-F271 HydrophobicContact CH2-CE1 4.02Å; W256-F271 AromaticContact CZ2-CE1 3.77Å; W256-F271 HydrophobicContact CZ2-CE1 3.77Å; W256-F271 HydrophobicContact CZ2-CZ 4.16Å; W256-F271 AromaticContact CZ3-CE1 3.99Å; W256-F271 HydrophobicContact CZ3-CE1 3.99Å; W256-F271 AromaticContact NE1-CE1 3.99Å; P267-F271 PolarHBondContact O-N 3.21Å; A268-F271 WeakPolarHBondContact O-CB 3.18Å; A268-F271 PolarHBondContact O-N 3.08Å; L269-F271 VanDerWaalsContact C-N 3.34Å; L269-F271 PolarHBondContact O-N 3.43Å; F271-M273 PolarHBondContact O-N 2.97Å; F271-C274 PolarHBondContact O-N 3.01Å; F271-G275 PolarHBondContact O-N 3.13Å
272A98.4Very high97.5Very high4 Ų448 Ų483%0.03324%0.237CC..Hα-helixtrans-60.1-43.717800000112.1W256 F257 A268 L269 M270 A276W256-A272 HydrophobicContact CB-CB 3.79Å; F257-A272 HydrophobicContact CD2-CB 4.38Å; F257-A272 HydrophobicContact CG-CB 4.45Å; A268-A272 PolarHBondContact O-N 3.18Å; L269-A272 PolarHBondContact O-N 3.29Å; M270-A272 PolarHBondContact O-N 3.41Å; A272-A276 WeakPolarHBondContact O-CB 3.27Å; A272-A276 PolarHBondContact O-N 3.32Å
273M98.3Very high97.5Very high101 Ų10148 Ų4850%0.49824%0.237SC..Hα-helixtrans-67.7-45.8-179.7-70.8-62.1-62.200112.6F257 L269 M270 F271 G275 A276 Y277F257-M273 HydrophobicContact CE1-SD 3.64Å; F257-M273 HydrophobicContact CE2-SD 4.38Å; F257-M273 HydrophobicContact CZ-CG 4.43Å; F257-M273 HydrophobicContact CZ-SD 3.28Å; F257-M273 WeakPolarHBondContact CZ-SD 3.19Å; L269-M273 HydrophobicContact CD1-CG 4.2Å; L269-M273 HydrophobicContact CG-CG 4.32Å; L269-M273 WeakPolarHBondContact O-CB 3.44Å; L269-M273 VanDerWaalsContact O-CG 3.25Å; L269-M273 WeakPolarHBondContact O-CG 3.3Å; L269-M273 PolarHBondContact O-N 3.3Å; M270-M273 PolarHBondContact O-N 3Å; F271-M273 PolarHBondContact O-N 2.97Å; M273-G275 VanDerWaalsContact C-N 3.34Å; M273-A276 PolarHBondContact O-N 3.29Å; M273-Y277 PolarHBondContact O-N 3.33Å
274C97.9Very high97.6Very high59 Ų5951.5 Ų51.540%0.39926%0.255SS..Hα-helixtrans-62.6-43.4176.3-70.50000111.2Y168 F172 M270 F271 Y277 Q278Y168-C274 HydrophobicContact CE2-CB 3.86Å; F172-C274 HydrophobicContact CE2-CB 4.4Å; F172-C274 HydrophobicContact CZ-CB 4.4Å; M270-C274 WeakPolarHBondContact O-CB 3.19Å; M270-C274 PolarHBondContact O-N 3.28Å; M270-C274 PolarHBondContact O-SG 2.9Å; M270-C274 VanDerWaalsContact O-SG 3.35Å; F271-C274 PolarHBondContact O-N 3.01Å; C274-Y277 PolarHBondContact O-N 3.41Å; C274-Q278 PolarHBondContact O-N 3.47Å; C274-Q278 VanDerWaalsContact O-N 3.09Å
275G97.5Very high97.6Very high10 Ų1050.5 Ų50.510%0.10326%0.262CS..Hα-helixtrans-61.7-46.617500000112Y168 F271 M273 Y277 Q278 M279Y168-G275 VanDerWaalsContact OH-CA 3.27Å; Y168-G275 WeakPolarHBondContact OH-CA 3.3Å; Y168-G275 PolarHBondContact OH-N 3.14Å; Y168-G275 VanDerWaalsContact OH-N 3.13Å; F271-G275 PolarHBondContact O-N 3.13Å; M273-G275 VanDerWaalsContact C-N 3.34Å; G275-Y277 VanDerWaalsContact C-N 3.34Å; G275-Y277 PolarHBondContact O-N 3.5Å; G275-Q278 PolarHBondContact O-N 3.37Å; G275-M279 WeakPolarHBondContact O-CB 3.45Å; G275-M279 WeakPolarHBondContact O-CE 3.5Å; G275-M279 WeakPolarHBondContact O-CG 3.36Å; G275-M279 PolarHBondContact O-N 3.24Å
276A97.9Very high97.5Very high10 Ų1052.8 Ų52.88%0.08327%0.271CS..Hα-helixtrans-58.7-44177.500000112I253 F257 A272 M273 T280I253-A276 HydrophobicContact CD1-CB 3.82Å; I253-A276 HydrophobicContact CG1-CB 3.93Å; I253-A276 HydrophobicContact CG2-CB 4.23Å; F257-A276 HydrophobicContact CE2-CB 4.33Å; A272-A276 WeakPolarHBondContact O-CB 3.27Å; A272-A276 PolarHBondContact O-N 3.32Å; M273-A276 PolarHBondContact O-N 3.29Å; A276-T280 VanDerWaalsContact O-CB 3.29Å; A276-T280 WeakPolarHBondContact O-CB 3.25Å; A276-T280 PolarHBondContact O-N 2.89Å; A276-T280 PolarHBondContact O-OG1 3.21Å
277Y97.6Very high97.4Very high166 Ų16648 Ų4865%0.65125%0.245SC*.Hα-helixtrans-59.8-50.7176.1177.1-99.8000111.6M273 C274 G275 M279 T280 I281M273-Y277 PolarHBondContact O-N 3.33Å; C274-Y277 PolarHBondContact O-N 3.41Å; G275-Y277 VanDerWaalsContact C-N 3.34Å; G275-Y277 PolarHBondContact O-N 3.5Å; Y277-M279 PolarHBondContact O-N 3.33Å; Y277-T280 WeakPolarHBondContact O-CB 3.41Å; Y277-T280 PolarHBondContact O-N 3.41Å; Y277-I281 HydrophobicContact CD1-CD1 4.06Å; Y277-I281 HydrophobicContact CE1-CD1 3.48Å; Y277-I281 VanDerWaalsContact CE1-CD1 3.48Å; Y277-I281 HydrophobicContact CE2-CD1 4.46Å; Y277-I281 PolarHBondContact O-N 3.05Å
278Q97.3Very high97.3Very high52 Ų5255.4 Ų55.424%0.24328%0.276CS..Hα-helixtrans-65-42.5-178.9-176.457.678.500112.4C274 G275 T280 I281 W282C274-Q278 PolarHBondContact O-N 3.47Å; C274-Q278 VanDerWaalsContact O-N 3.09Å; G275-Q278 PolarHBondContact O-N 3.37Å; Q278-T280 VanDerWaalsContact C-N 3.3Å; Q278-T280 PolarHBondContact O-N 3.2Å; Q278-I281 PolarHBondContact O-N 2.82Å; Q278-W282 HydrophobicContact CG-CD2 4.23Å; Q278-W282 HydrophobicContact CG-CE3 4.31Å; Q278-W282 HydrophobicContact CG-CH2 3.65Å; Q278-W282 HydrophobicContact CG-CZ2 3.53Å; Q278-W282 HydrophobicContact CG-CZ3 4.04Å; Q278-W282 PolarHBondContact O-N 2.93Å
279M97.7Very high97Very high19 Ų1957.3 Ų57.39%0.09429%0.292CS..Hα-helixtrans-64.8-34.1176-76.2-172.8-79.800112.2Y249 E252 I253 G275 Y277 W282 A283 I304Y249-M279 HydrophobicContact CD1-CG 4.16Å; Y249-M279 HydrophobicContact CD1-SD 3.78Å; Y249-M279 HydrophobicContact CD2-CB 3.94Å; Y249-M279 HydrophobicContact CD2-CG 4.25Å; Y249-M279 HydrophobicContact CG-CB 4.01Å; Y249-M279 HydrophobicContact CG-CG 4.01Å; Y249-M279 HydrophobicContact CG-SD 3.85Å; E252-M279 HydrophobicContact CB-CE 4.26Å; E252-M279 HydrophobicContact CB-SD 4.02Å; E252-M279 HydrophobicContact CG-CE 3.87Å; E252-M279 HydrophobicContact CG-SD 3.84Å; I253-M279 HydrophobicContact CD1-CE 4.1Å; I253-M279 HydrophobicContact CG1-CE 3.39Å; I253-M279 HydrophobicContact CG1-SD 4.37Å; G275-M279 WeakPolarHBondContact O-CB 3.45Å; G275-M279 WeakPolarHBondContact O-CE 3.5Å; G275-M279 WeakPolarHBondContact O-CG 3.36Å; G275-M279 PolarHBondContact O-N 3.24Å; Y277-M279 PolarHBondContact O-N 3.33Å; M279-W282 HydrophobicContact CG-CE3 4.38Å; M279-W282 PolarHBondContact O-N 3.19Å; M279-A283 VanDerWaalsContact O-CB 3.29Å; M279-A283 WeakPolarHBondContact O-CB 3.31Å; M279-A283 PolarHBondContact O-N 2.62Å; M279-I304 HydrophobicContact CB-CD1 4.2Å
280T97.9Very high96.7Very high23 Ų2354.9 Ų54.914%0.14128%0.279CS..Hα-helixtrans-63.4-44.6175.5-62.80000111.3A276 Y277 Q278 W282 A283 L284 I304 L309A276-T280 VanDerWaalsContact O-CB 3.29Å; A276-T280 WeakPolarHBondContact O-CB 3.25Å; A276-T280 PolarHBondContact O-N 2.89Å; A276-T280 PolarHBondContact O-OG1 3.21Å; Y277-T280 WeakPolarHBondContact O-CB 3.41Å; Y277-T280 PolarHBondContact O-N 3.41Å; Q278-T280 VanDerWaalsContact C-N 3.3Å; Q278-T280 PolarHBondContact O-N 3.2Å; T280-W282 VanDerWaalsContact C-N 3.31Å; T280-W282 PolarHBondContact O-N 3.23Å; T280-A283 PolarHBondContact O-N 3.27Å; T280-L284 HydrophobicContact CG2-CD1 4.09Å; T280-L284 HydrophobicContact CG2-CG 4.49Å; T280-L284 WeakPolarHBondContact O-CG 3.46Å; T280-L284 PolarHBondContact O-N 2.94Å; T280-I304 HydrophobicContact CG2-CG2 4.39Å; T280-L309 HydrophobicContact CG2-CD2 3.37Å
281I97.6Very high96.5Very high74 Ų7455.2 Ų55.238%0.37928%0.278SS..Hα-helixtrans-57.5-46.3175-66.6170000110.7Y277 Q278 A285Y277-I281 HydrophobicContact CD1-CD1 4.06Å; Y277-I281 HydrophobicContact CE1-CD1 3.48Å; Y277-I281 VanDerWaalsContact CE1-CD1 3.48Å; Y277-I281 HydrophobicContact CE2-CD1 4.46Å; Y277-I281 PolarHBondContact O-N 3.05Å; Q278-I281 PolarHBondContact O-N 2.82Å; I281-A285 PolarHBondContact O-N 3.42Å; I281-A285 VanDerWaalsContact O-N 3.16Å
282W96.5Very high96.2Very high112 Ų11262.8 Ų62.842%0.42431%0.31SS..Hα-helixtrans-67.1-39.6178.9-65.5-24.8000112.8Y249 Q278 M279 T280 A285 K286Y249-W282 HydrophobicContact CE2-CB 3.98Å; Q278-W282 HydrophobicContact CG-CD2 4.23Å; Q278-W282 HydrophobicContact CG-CE3 4.31Å; Q278-W282 HydrophobicContact CG-CH2 3.65Å; Q278-W282 HydrophobicContact CG-CZ2 3.53Å; Q278-W282 HydrophobicContact CG-CZ3 4.04Å; Q278-W282 PolarHBondContact O-N 2.93Å; M279-W282 HydrophobicContact CG-CE3 4.38Å; M279-W282 PolarHBondContact O-N 3.19Å; T280-W282 VanDerWaalsContact C-N 3.31Å; T280-W282 PolarHBondContact O-N 3.23Å; W282-A285 PolarHBondContact O-N 2.86Å; W282-K286 WeakPolarHBondContact O-CB 3.25Å; W282-K286 PolarHBondContact O-N 3.07Å
283A97.4Very high95.7Very high0 Ų066.5 Ų66.50%033%0.327CS..Hα-helixtrans-63.1-44177.700000111.7V246 Y249 M279 T280 A285 K286 H287 A303 I304V246-A283 HydrophobicContact CB-CB 4.33Å; V246-A283 HydrophobicContact CG2-CB 4.1Å; Y249-A283 HydrophobicContact CD2-CB 4.21Å; M279-A283 VanDerWaalsContact O-CB 3.29Å; M279-A283 WeakPolarHBondContact O-CB 3.31Å; M279-A283 PolarHBondContact O-N 2.62Å; T280-A283 PolarHBondContact O-N 3.27Å; A283-A285 PolarHBondContact O-N 3.07Å; A283-K286 PolarHBondContact O-N 3.1Å; A283-H287 VanDerWaalsContact O-CB 3.27Å; A283-H287 WeakPolarHBondContact O-CB 3.41Å; A283-H287 PolarHBondContact O-N 2.87Å; A283-A303 HydrophobicContact CB-CB 4.22Å; A283-I304 HydrophobicContact CB-CB 3.76Å; A283-I304 HydrophobicContact CB-CD1 4.09Å; A283-I304 HydrophobicContact CB-CG1 4.3Å; A283-I304 HydrophobicContact CB-CG2 4.45Å
284L97.2Very high95.4Very high73 Ų7363.2 Ų63.238%0.38231%0.31SS..Hα-helixtrans-61.5-44.5176.6-71.9168.6000111.7T280 K286 H287 K288 A303 L309T280-L284 HydrophobicContact CG2-CD1 4.09Å; T280-L284 HydrophobicContact CG2-CG 4.49Å; T280-L284 WeakPolarHBondContact O-CG 3.46Å; T280-L284 PolarHBondContact O-N 2.94Å; L284-K286 PolarHBondContact O-N 3.22Å; L284-H287 PolarHBondContact O-N 2.83Å; L284-K288 WeakPolarHBondContact O-CB 3.34Å; L284-K288 PolarHBondContact O-N 2.8Å; L284-A303 HydrophobicContact CD2-CB 3.81Å; L284-A303 HydrophobicContact CG-CB 4.3Å; L284-L309 HydrophobicContact CD2-CD1 4.06Å; L284-L309 HydrophobicContact CD2-CG 4.3Å
285A95.6Very high95Very high64 Ų6465.5 Ų65.553%0.52933%0.333SS..Hα-helixtrans-61.9-44.1176.100000111.8I281 W282 A283 K288 A289I281-A285 PolarHBondContact O-N 3.42Å; I281-A285 VanDerWaalsContact O-N 3.16Å; W282-A285 PolarHBondContact O-N 2.86Å; A283-A285 PolarHBondContact O-N 3.07Å; A285-K288 PolarHBondContact O-N 3.02Å; A285-A289 PolarHBondContact O-N 3.11Å
286K93.6Very high94.7Very high58 Ų5869.8 Ų69.825%0.25236%0.362SS..Hα-helixtrans-67.8-41.2178.8-171.8169.3174.9-170.80112.2V246 W282 A283 L284 A289 Y290V246-K286 HydrophobicContact CG1-CD 4.39Å; V246-K286 HydrophobicContact CG2-CB 4.17Å; V246-K286 HydrophobicContact CG2-CD 3.78Å; V246-K286 HydrophobicContact CG2-CG 4.16Å; W282-K286 WeakPolarHBondContact O-CB 3.25Å; W282-K286 PolarHBondContact O-N 3.07Å; A283-K286 PolarHBondContact O-N 3.1Å; L284-K286 PolarHBondContact O-N 3.22Å; K286-A289 WeakPolarHBondContact O-CB 3.41Å; K286-A289 PolarHBondContact O-N 2.76Å; K286-Y290 HydrophobicContact CD-CE2 4.29Å; K286-Y290 WeakPolarHBondContact CE-OH 3.44Å; K286-Y290 HydrophobicContact CG-CD2 4.22Å; K286-Y290 HydrophobicContact CG-CE2 3.83Å; K286-Y290 PolarHBondContact O-N 3.35Å
287H95.6Very high94.5Very high18 Ų1869.6 Ų69.68%0.08336%0.359CS..Hα-helixtrans-61.3-45.6175.1179.764.6000111.7S245 A283 L284 A289 Y290 K291 Y297 R301 A303S245-H287 PolarHBondContact OG-ND1 3.25Å; A283-H287 VanDerWaalsContact O-CB 3.27Å; A283-H287 WeakPolarHBondContact O-CB 3.41Å; A283-H287 PolarHBondContact O-N 2.87Å; L284-H287 PolarHBondContact O-N 2.83Å; H287-A289 VanDerWaalsContact C-N 3.31Å; H287-A289 PolarHBondContact O-N 3.46Å; H287-Y290 PolarHBondContact O-N 2.74Å; H287-K291 VanDerWaalsContact CE1-CE 3.48Å; H287-K291 WeakPolarHBondContact CE1-CE 3.45Å; H287-K291 WeakPolarHBondContact NE2-CE 3.34Å; H287-K291 PolarHBondContact NE2-NZ 2.69Å; H287-K291 PolarHBondContact O-N 3Å; H287-Y297 AromaticContact CE1-CE1 3.7Å; H287-Y297 AromaticContact ND1-CE1 3.74Å; H287-Y297 AromaticContact ND1-CZ 4Å; H287-R301 PolarHBondContact CE1-O 3.44Å; H287-R301 VanDerWaalsContact CE1-O 3.24Å; H287-A303 HydrophobicContact CB-CB 3.94Å
288K95Very high94.3Very high163 Ų16363.2 Ų63.271%0.70934%0.338SS*.Hα-helixtrans-60.9-40174.6-175.5176-178.3174.10112L284 A285 K292L284-K288 WeakPolarHBondContact O-CB 3.34Å; L284-K288 PolarHBondContact O-N 2.8Å; A285-K288 PolarHBondContact O-N 3.02Å; K288-K292 PolarHBondContact O-N 2.8Å
289A91.8Very high94Very high43 Ų4367 Ų6736%0.35536%0.356SS..Hα-helixtrans-62.8-45.5175.400000111.4A285 K286 H287 K292 E293A285-A289 PolarHBondContact O-N 3.11Å; K286-A289 WeakPolarHBondContact O-CB 3.41Å; K286-A289 PolarHBondContact O-N 2.76Å; H287-A289 VanDerWaalsContact C-N 3.31Å; H287-A289 PolarHBondContact O-N 3.46Å; A289-K292 PolarHBondContact O-N 3.33Å; A289-E293 VanDerWaalsContact O-CB 3.3Å; A289-E293 WeakPolarHBondContact O-CB 3.37Å; A289-E293 PolarHBondContact O-N 3.39Å
290Y93.4Very high93.7Very high18 Ų1871.8 Ų71.87%0.07138%0.378CS..Hα-helixtrans-61.7-45177.6-74.9-36.4000113.6K286 H287 K292 E293 F294 Y297K286-Y290 HydrophobicContact CD-CE2 4.29Å; K286-Y290 WeakPolarHBondContact CE-OH 3.44Å; K286-Y290 HydrophobicContact CG-CD2 4.22Å; K286-Y290 HydrophobicContact CG-CE2 3.83Å; K286-Y290 PolarHBondContact O-N 3.35Å; H287-Y290 PolarHBondContact O-N 2.74Å; Y290-K292 PolarHBondContact O-N 3.23Å; Y290-E293 PolarHBondContact O-N 3.08Å; Y290-F294 AromaticContact CD1-CD2 3.94Å; Y290-F294 HydrophobicContact CD1-CD2 3.94Å; Y290-F294 AromaticContact CD1-CE2 3.66Å; Y290-F294 HydrophobicContact CD1-CE2 3.66Å; Y290-F294 HydrophobicContact CE1-CE2 4.06Å; Y290-F294 PolarHBondContact O-N 3.5Å; Y290-Y297 VanDerWaalsContact CB-CE2 3.5Å; Y290-Y297 HydrophobicContact CD2-CE2 4.04Å; Y290-Y297 AromaticContact CG-CE2 3.97Å; Y290-Y297 HydrophobicContact CG-CE2 3.97Å
291K93.5Very high93.5Very high86 Ų8670.9 Ų70.937%0.37437%0.372SS..Hα-helixtrans-59.2-32.4175.8-80.6-179.7161.4167.10113.2H287 Y297H287-K291 VanDerWaalsContact CE1-CE 3.48Å; H287-K291 WeakPolarHBondContact CE1-CE 3.45Å; H287-K291 WeakPolarHBondContact NE2-CE 3.34Å; H287-K291 PolarHBondContact NE2-NZ 2.69Å; H287-K291 PolarHBondContact O-N 3Å; K291-Y297 HydrophobicContact CG-CD1 3.69Å; K291-Y297 HydrophobicContact CG-CE1 4.09Å; K291-Y297 HydrophobicContact CG-CG 4.48Å
292K92Very high93.4Very high165 Ų16571.7 Ų71.772%0.71737%0.37SS*.Hα-helixtrans-79.2-39.6177.9-174.8177.8-178.2-177.80112.2K288 A289 Y290K288-K292 PolarHBondContact O-N 2.8Å; A289-K292 PolarHBondContact O-N 3.33Å; Y290-K292 PolarHBondContact O-N 3.23Å
293E88.7Confident93.4Very high82 Ų8266.3 Ų66.338%0.38335%0.349SS..Hα-helixtrans-78.6-36.3-172.8-172.9177.5162.600112.3R227 A289 Y290R227-E293 VanDerWaalsContact CB-OE1 3.25Å; R227-E293 WeakPolarHBondContact CB-OE1 3.46Å; R227-E293 VanDerWaalsContact CD-OE1 3.3Å; R227-E293 WeakPolarHBondContact CD-OE1 3.29Å; R227-E293 IonicContact CZ-OE2 2.81Å; R227-E293 IonicContact NH1-OE1 3.73Å; R227-E293 IonicContact NH1-OE2 2.83Å; R227-E293 PolarHBondContact NH1-OE2 3.01Å; A289-E293 VanDerWaalsContact O-CB 3.3Å; A289-E293 WeakPolarHBondContact O-CB 3.37Å; A289-E293 PolarHBondContact O-N 3.39Å; Y290-E293 PolarHBondContact O-N 3.08Å
294F91.5Very high93.4Very high33 Ų3366.3 Ų66.315%0.14535%0.349CS..  trans-116.3109.5-174.2-59.6-72.2000111.2R227 I229 Y290 S296 Y297R227-F294 HydrophobicContact CB-CZ 4Å; R227-F294 WeakPolarHBondContact O-CE1 3.44Å; R227-F294 WeakPolarHBondContact O-CZ 3.42Å; I229-F294 HydrophobicContact CD1-CB 3.51Å; I229-F294 HydrophobicContact CD1-CD1 4.12Å; I229-F294 HydrophobicContact CD1-CD2 4.3Å; I229-F294 HydrophobicContact CD1-CG 3.73Å; I229-F294 HydrophobicContact CG1-CB 3.78Å; I229-F294 HydrophobicContact CG1-CD1 3.74Å; I229-F294 HydrophobicContact CG1-CD2 3.57Å; I229-F294 HydrophobicContact CG1-CE1 4.22Å; I229-F294 HydrophobicContact CG1-CE2 4.07Å; I229-F294 HydrophobicContact CG1-CG 3.4Å; I229-F294 HydrophobicContact CG1-CZ 4.37Å; Y290-F294 AromaticContact CD1-CD2 3.94Å; Y290-F294 HydrophobicContact CD1-CD2 3.94Å; Y290-F294 AromaticContact CD1-CE2 3.66Å; Y290-F294 HydrophobicContact CD1-CE2 3.66Å; Y290-F294 HydrophobicContact CE1-CE2 4.06Å; Y290-F294 PolarHBondContact O-N 3.5Å; F294-S296 PolarHBondContact O-N 3.29Å; F294-Y297 WeakPolarHBondContact O-CB 3.4Å; F294-Y297 PolarHBondContact O-N 3.44Å; F294-Y297 VanDerWaalsContact O-N 3.08Å
295A90.8Very high93.2Very high107 Ų10765.9 Ų65.988%0.88434%0.344SS*.THydrogen-bonded Turntrans-60.4-33.2176.700000112.8Y297A295-Y297 VanDerWaalsContact C-N 3.26Å; A295-Y297 PolarHBondContact O-N 3.11Å
296S91.1Very high92.8Very high100 Ų10064.5 Ų64.570%0.69933%0.33SS*.THydrogen-bonded Turntrans-84.712.5177.156.70000114.1F294F294-S296 PolarHBondContact O-N 3.29Å
297Y93.4Very high92.6Very high5 Ų569.5 Ų69.52%0.0235%0.352CS..  trans-63.7130.1-178.9-167.7-96000112.1I229 S245 H287 Y290 K291 F294 A295 Q299 R301I229-Y297 HydrophobicContact CD1-CD2 4.17Å; I229-Y297 HydrophobicContact CG1-CD2 4.27Å; I229-Y297 HydrophobicContact CG2-CD2 3.96Å; I229-Y297 HydrophobicContact CG2-CE2 3.98Å; S245-Y297 WeakPolarHBondContact CB-OH 3.4Å; S245-Y297 PolarHBondContact OG-OH 2.87Å; H287-Y297 AromaticContact CE1-CE1 3.7Å; H287-Y297 AromaticContact ND1-CE1 3.74Å; H287-Y297 AromaticContact ND1-CZ 4Å; Y290-Y297 VanDerWaalsContact CB-CE2 3.5Å; Y290-Y297 HydrophobicContact CD2-CE2 4.04Å; Y290-Y297 AromaticContact CG-CE2 3.97Å; Y290-Y297 HydrophobicContact CG-CE2 3.97Å; K291-Y297 HydrophobicContact CG-CD1 3.69Å; K291-Y297 HydrophobicContact CG-CE1 4.09Å; K291-Y297 HydrophobicContact CG-CG 4.48Å; F294-Y297 WeakPolarHBondContact O-CB 3.4Å; F294-Y297 PolarHBondContact O-N 3.44Å; F294-Y297 VanDerWaalsContact O-N 3.08Å; A295-Y297 VanDerWaalsContact C-N 3.26Å; A295-Y297 PolarHBondContact O-N 3.11Å; Y297-Q299 PolarHBondContact O-N 3.2Å; Y297-Q299 PolarHBondContact O-NE2 3.37Å; Y297-R301 HydrophobicContact CE1-CB 4.08Å
298P92.1Very high92.1Very high32 Ų3275.3 Ų75.321%0.20838%0.383CS..  trans-62.5121.9-176.7-27.438000113.1H300 R301P298-H300 VanDerWaalsContact C-N 3.35Å; P298-H300 PolarHBondContact O-N 2.93Å; P298-R301 HydrophobicContact CB-CG 3.98Å; P298-R301 PolarHBondContact O-N 3.25Å
299Q90.8Very high91.3Very high133 Ų13370.9 Ų70.962%0.62137%0.366SS*.THydrogen-bonded Turntrans-71-27.7-171.9-63.2-59.2-30.300113.9Y297 R301Y297-Q299 PolarHBondContact O-N 3.2Å; Y297-Q299 PolarHBondContact O-NE2 3.37Å; Q299-R301 VanDerWaalsContact C-N 3.3Å; Q299-R301 PolarHBondContact O-N 2.91Å
300H91.6Very high91.2Very high119 Ų11972.3 Ų72.355%0.55137%0.367SS*.THydrogen-bonded Turntrans-76.5-16.9179.363.4-93.5000113.1D242 P298 R302D242-H300 PolarHBondContact O-CD2 3.06Å; D242-H300 PolarHBondContact O-NE2 3.35Å; P298-H300 VanDerWaalsContact C-N 3.35Å; P298-H300 PolarHBondContact O-N 2.93Å; H300-R302 PolarHBondContact O-NH1 3.12Å; H300-R302 VanDerWaalsContact O-NH1 3.15Å
301R94.6Very high91.1Very high4 Ų475.1 Ų75.12%0.01538%0.382CS..  trans-60.8141.4178.7-77.7175.7-170.1-163.5-2.5111.1P230 L231 F241 D242 F243 H287 Y297 P298 Q299P230-R301 PolarHBondContact O-NH1 3Å; L231-R301 VanDerWaalsContact CD2-NH2 3.3Å; F241-R301 WeakPolarHBondContact O-CD 3.33Å; F241-R301 PolarHBondContact O-NE 3.21Å; F241-R301 PolarHBondContact O-NH1 2.93Å; F241-R301 PolarHBondContact O-NH2 3.41Å; D242-R301 WeakPolarHBondContact O-CG 3.43Å; D242-R301 IonicContact OD1-NH2 2.77Å; F243-R301 WeakPolarHBondContact O-CA 3.47Å; H287-R301 PolarHBondContact CE1-O 3.44Å; H287-R301 VanDerWaalsContact CE1-O 3.24Å; Y297-R301 HydrophobicContact CE1-CB 4.08Å; P298-R301 HydrophobicContact CB-CG 3.98Å; P298-R301 PolarHBondContact O-N 3.25Å; Q299-R301 VanDerWaalsContact C-N 3.3Å; Q299-R301 PolarHBondContact O-N 2.91Å
302R96.2Very high91Very high90 Ų9074.5 Ų74.534%0.3438%0.383SS..BIsolated β-bridgetrans-102.5168.9174-69.9-60.2177.2-95.91.8110.2F243 V244 S245 H300 F305 L309F243-R302 PolarHBondContact O-N 2.97Å; V244-R302 CarbonylContact C-O 3.52Å; V244-R302 WeakPolarHBondContact CA-O 3.29Å; V244-R302 HydrophobicContact CG1-CB 4.38Å; S245-R302 PolarHBondContact N-O 2.84Å; S245-R302 PolarHBondContact OG-O 3.2Å; H300-R302 PolarHBondContact O-NH1 3.12Å; H300-R302 VanDerWaalsContact O-NH1 3.15Å; R302-F305 WeakPolarHBondContact CB-O 3.4Å; R302-L309 VanDerWaalsContact CB-C 3.46Å; R302-L309 WeakPolarHBondContact CB-O 3.27Å; R302-L309 WeakPolarHBondContact CB-OXT 3.09Å
303A96.1Very high90.9Very high0 Ų069.2 Ų69.20%036%0.363CS..SBendtrans-72.5-50.2-176.500000111.7S245 V246 A283 L284 H287 L309S245-A303 WeakPolarHBondContact CB-O 3.28Å; S245-A303 PolarHBondContact N-O 3.19Å; V246-A303 PolarHBondContact N-O 2.86Å; A283-A303 HydrophobicContact CB-CB 4.22Å; L284-A303 HydrophobicContact CD2-CB 3.81Å; L284-A303 HydrophobicContact CG-CB 4.3Å; H287-A303 HydrophobicContact CB-CB 3.94Å; A303-L309 PolarHBondContact N-O 3.3Å; A303-L309 PolarHBondContact N-OXT 2.81Å
304I96Very high91.1Very high0 Ų068.4 Ų68.40%036%0.362CS..SBendtrans-146-36.3-167.2-166.9169.9000114.4T250 I253 M279 T280 A283 L309T250-I304 WeakPolarHBondContact CB-O 2.99Å; T250-I304 WeakPolarHBondContact CG2-O 3.11Å; T250-I304 PolarHBondContact OG1-O 2.97Å; I253-I304 HydrophobicContact CD1-CD1 3.57Å; I253-I304 HydrophobicContact CD1-CG1 4.34Å; M279-I304 HydrophobicContact CB-CD1 4.2Å; T280-I304 HydrophobicContact CG2-CG2 4.39Å; A283-I304 HydrophobicContact CB-CB 3.76Å; A283-I304 HydrophobicContact CB-CD1 4.09Å; A283-I304 HydrophobicContact CB-CG1 4.3Å; A283-I304 HydrophobicContact CB-CG2 4.45Å; I304-L309 HydrophobicContact CG2-CB 4.5Å; I304-L309 HydrophobicContact CG2-CD2 4.16Å; I304-L309 HydrophobicContact CG2-CG 4.41Å; I304-L309 PolarHBondContact N-O 3.32Å
305F92.8Very high91Very high63 Ų6370.7 Ų70.728%0.27638%0.376SS..SBendtrans-111.4125.1179.3-67.2-62.5000109.6I253 R302 F307 I308 L309I253-F305 HydrophobicContact CD1-CE1 4.28Å; I253-F305 HydrophobicContact CD1-CZ 3.84Å; I253-F305 HydrophobicContact CG2-CE1 4.14Å; I253-F305 HydrophobicContact CG2-CZ 4.16Å; R302-F305 WeakPolarHBondContact CB-O 3.4Å; F305-F307 PolarHBondContact O-N 3.37Å; F305-I308 HydrophobicContact CB-CB 4.27Å; F305-I308 PolarHBondContact O-N 3.32Å; F305-L309 HydrophobicContact CD2-CB 4.44Å; F305-L309 PolarHBondContact N-O 3.3Å; F305-L309 PolarHBondContact O-N 3.03Å
306P88.8Confident91.1Very high35 Ų3568.1 Ų68.123%0.22734%0.34CS..THydrogen-bonded Turntrans-52.1135.3178.1-26.434.7000110.9L240 F243 V244 I308L240-P306 HydrophobicContact CD1-CG 3.79Å; F243-P306 HydrophobicContact CB-CB 4.16Å; F243-P306 HydrophobicContact CB-CG 4.44Å; V244-P306 HydrophobicContact CG1-CB 4.38Å; V244-P306 HydrophobicContact CG1-CG 3.89Å; P306-I308 PolarHBondContact O-N 3.3Å
307F88.6Confident91Very high163 Ų16365.7 Ų65.772%0.71531%0.312SS*.THydrogen-bonded Turntrans65.2-14.8175.6-41.2-68.8000116.9F243 F305F243-F307 AromaticContact CD1-CE1 3.74Å; F243-F307 HydrophobicContact CD1-CE1 3.74Å; F243-F307 AromaticContact CD1-CZ 3.62Å; F243-F307 HydrophobicContact CD1-CZ 3.62Å; F243-F307 AromaticContact CE1-CE1 4Å; F243-F307 HydrophobicContact CE1-CE1 4Å; F243-F307 AromaticContact CE1-CZ 3.75Å; F243-F307 HydrophobicContact CE1-CZ 3.75Å; F243-F307 HydrophobicContact CG-CZ 4.47Å; F305-F307 PolarHBondContact O-N 3.37Å
308I85Confident90.9Very high141 Ų14170.8 Ų70.872%0.72334%0.336SS*.THydrogen-bonded Turntrans-105.4-57.8-175.2-57.2172.3000111.5F305 P306F305-I308 HydrophobicContact CB-CB 4.27Å; F305-I308 PolarHBondContact O-N 3.32Å; P306-I308 PolarHBondContact O-N 3.3Å
309L77.7Confident90.7Very high69 Ų6974.3 Ų74.336%0.36135%0.348SS..  trans-140.20-165.9-173.267.5000114.1T280 L284 R302 A303 I304 F305T280-L309 HydrophobicContact CG2-CD2 3.37Å; L284-L309 HydrophobicContact CD2-CD1 4.06Å; L284-L309 HydrophobicContact CD2-CG 4.3Å; R302-L309 VanDerWaalsContact CB-C 3.46Å; R302-L309 WeakPolarHBondContact CB-O 3.27Å; R302-L309 WeakPolarHBondContact CB-OXT 3.09Å; A303-L309 PolarHBondContact N-O 3.3Å; A303-L309 PolarHBondContact N-OXT 2.81Å; I304-L309 HydrophobicContact CG2-CB 4.5Å; I304-L309 HydrophobicContact CG2-CD2 4.16Å; I304-L309 HydrophobicContact CG2-CG 4.41Å; I304-L309 PolarHBondContact N-O 3.32Å; F305-L309 HydrophobicContact CD2-CB 4.44Å; F305-L309 PolarHBondContact N-O 3.3Å; F305-L309 PolarHBondContact O-N 3.03Å

Retrieved 309 of 309 residues in 502.9 ms (Link to these results)

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