A0A087YH73_POEFO Loading...

TBC1 domain family member 8B

AlphaFold DB , UniProt , Accession A0A087YH73, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,126 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
1M76Confident73.5Confident37 Ų3764.6 Ų64.618%0.18232%0.317CS..  0152.9067.3-176.2-6700111.1L3 A78 S79 H89 R141 E142 L145M1-L3 HydrophobicContact CE-CD2 3.69Å; M1-L3 HydrophobicContact CG-CD2 4.06Å; M1-L3 HydrophobicContact CG-CG 4.36Å; M1-L3 HydrophobicContact SD-CD2 3.88Å; M1-A78 CarbonylContact O-C 3.58Å; M1-A78 VanDerWaalsContact O-CA 3.26Å; M1-A78 WeakPolarHBondContact O-CA 3.47Å; M1-A78 WeakPolarHBondContact O-CB 3.36Å; M1-S79 PolarHBondContact N-O 3.42Å; M1-S79 PolarHBondContact O-N 3.1Å; M1-H89 WeakPolarHBondContact CA-NE2 3.35Å; M1-H89 PolarHBondContact N-NE2 2.9Å; M1-R141 VanDerWaalsContact CE-NH1 3.31Å; M1-R141 VanDerWaalsContact CE-NH2 3.27Å; M1-E142 HydrophobicContact CE-CG 4.23Å; M1-L145 HydrophobicContact CB-CD1 4.05Å; M1-L145 HydrophobicContact CE-CD1 3.33Å; M1-L145 HydrophobicContact CG-CD1 4.27Å; M1-L145 HydrophobicContact SD-CD1 3.27Å; M1-L145 WeakPolarHBondContact SD-CD1 3.47Å
2W84Confident71.3Confident20 Ų2065.5 Ų65.58%0.07632%0.324CS..EExtended strand (participates in β ladder)trans-75.4141.7165.2-62109.5000110.8A78 H89 W92 L93 V118 L121 I122 R141W2-A78 HydrophobicContact CE3-CB 3.84Å; W2-A78 HydrophobicContact CZ3-CB 4.06Å; W2-H89 AromaticContact CD2-ND1 3.93Å; W2-H89 AromaticContact CE2-ND1 3.42Å; W2-H89 HydrophobicContact CH2-CB 4.15Å; W2-H89 HydrophobicContact CZ2-CB 4.31Å; W2-H89 AromaticContact CZ2-ND1 3.61Å; W2-H89 HydrophobicContact CZ3-CB 4.48Å; W2-H89 AromaticContact NE1-CE1 3.91Å; W2-H89 AromaticContact NE1-ND1 3.61Å; W2-W92 HydrophobicContact CH2-CD2 4.35Å; W2-W92 AromaticContact CH2-CE3 3.7Å; W2-W92 HydrophobicContact CH2-CE3 3.7Å; W2-W92 HydrophobicContact CH2-CZ3 4.36Å; W2-W92 HydrophobicContact CZ2-CB 4.34Å; W2-W92 AromaticContact CZ2-CD2 3.98Å; W2-W92 HydrophobicContact CZ2-CD2 3.98Å; W2-W92 AromaticContact CZ2-CE3 3.75Å; W2-W92 HydrophobicContact CZ2-CE3 3.75Å; W2-W92 HydrophobicContact CZ2-CG 4.23Å; W2-W92 HydrophobicContact CZ2-CZ3 4.48Å; W2-L93 HydrophobicContact CH2-CD1 4.32Å; W2-L93 HydrophobicContact CH2-CD2 3.69Å; W2-L93 HydrophobicContact CH2-CG 3.71Å; W2-L93 HydrophobicContact CZ3-CD1 4.16Å; W2-L93 HydrophobicContact CZ3-CD2 3.73Å; W2-L93 HydrophobicContact CZ3-CG 3.96Å; W2-V118 HydrophobicContact CB-CG1 4.47Å; W2-V118 HydrophobicContact CE3-CG1 4.19Å; W2-V118 HydrophobicContact CE3-CG2 4.24Å; W2-V118 HydrophobicContact CZ3-CG2 4.3Å; W2-L121 HydrophobicContact CD2-CD1 4.04Å; W2-L121 HydrophobicContact CE3-CD1 4.46Å; W2-L121 HydrophobicContact CG-CB 4.34Å; W2-L121 HydrophobicContact CH2-CD1 4.13Å; W2-L121 HydrophobicContact CZ2-CD1 3.66Å; W2-I122 HydrophobicContact CB-CD1 4.33Å; W2-I122 HydrophobicContact CB-CG1 3.69Å; W2-R141 PolarHBondContact O-NH1 3.23Å; W2-R141 PolarHBondContact O-NH2 3.1Å
3L79.4Confident69.1Low14 Ų1468.8 Ų68.87%0.07337%0.367CS..EExtended strand (participates in β ladder)trans-120.5147.9-179.3-67.3174000110M1 V76 I77 S79 V118M1-L3 HydrophobicContact CE-CD2 3.69Å; M1-L3 HydrophobicContact CG-CD2 4.06Å; M1-L3 HydrophobicContact CG-CG 4.36Å; M1-L3 HydrophobicContact SD-CD2 3.88Å; L3-V76 HydrophobicContact CD1-CG1 3.58Å; L3-I77 PolarHBondContact N-O 3.49Å; L3-S79 WeakPolarHBondContact CD1-OG 3.24Å; L3-V118 WeakPolarHBondContact O-CG1 3.29Å
4N77.1Confident67.9Low39 Ų3970 Ų7021%0.20937%0.373CS..EExtended strand (participates in β ladder)trans-64.2133.2172.8-131.1-10000107.9E6 K119 E138N4-E6 PolarHBondContact O-N 3.26Å; N4-K119 VanDerWaalsContact OD1-CE 3.28Å; N4-K119 WeakPolarHBondContact OD1-CE 3.37Å; N4-K119 WeakPolarHBondContact OD1-CG 3.27Å; N4-E138 PolarHBondContact ND2-OE1 3.44Å; N4-E138 PolarHBondContact ND2-OE2 3.39Å
5P84.1Confident67.6Low27 Ų2775.6 Ų75.618%0.17539%0.393CS..EExtended strand (participates in β ladder)trans-59.5101.6-172.6-26.634.9000112.9W75 V76 I77 K115P5-W75 HydrophobicContact CB-CB 4.07Å; P5-W75 HydrophobicContact CB-CG 4.45Å; P5-V76 WeakPolarHBondContact CA-O 3.34Å; P5-I77 HydrophobicContact CB-CG2 4.23Å; P5-I77 HydrophobicContact CG-CG2 4.21Å; P5-K115 HydrophobicContact CB-CB 4.47Å; P5-K115 HydrophobicContact CB-CD 4.23Å; P5-K115 HydrophobicContact CB-CG 3.78Å; P5-K115 HydrophobicContact CG-CB 3.96Å; P5-K115 HydrophobicContact CG-CG 3.76Å
6E77.6Confident67.6Low84 Ų8472.6 Ų72.639%0.39338%0.377SS..EExtended strand (participates in β ladder)trans-99.9135.2179-82.5-172.1-161.900111.6N4 N56 W75 V76N4-E6 PolarHBondContact O-N 3.26Å; E6-N56 PolarHBondContact OE1-ND2 2.96Å; E6-N56 PolarHBondContact OE2-ND2 3.02Å; E6-W75 CarbonylContact O-C 3.54Å; E6-W75 WeakPolarHBondContact O-CA 3.29Å; E6-V76 PolarHBondContact N-O 2.94Å; E6-V76 PolarHBondContact O-N 2.96Å
7E80.6Confident68Low125 Ų12570.4 Ų70.458%0.58436%0.363SS*.EExtended strand (participates in β ladder)trans-72.7131.2-176.5-162.3174.8154.200112.5V73E7-V73 HydrophobicContact CG-CG1 3.23Å; E7-V73 WeakPolarHBondContact OE1-CG1 3.27Å
8V75.2Confident68.8Low22 Ų2270.4 Ų70.413%0.13337%0.367CS..EExtended strand (participates in β ladder)trans-135.6131.8178.6-166.50000110.1S74 V76V8-S74 PolarHBondContact N-O 3.46Å; V8-S74 PolarHBondContact O-N 3.31Å; V8-S74 VanDerWaalsContact O-N 3.14Å; V8-V76 HydrophobicContact CG2-CG2 3.52Å
9L64.3Low69.8Low108 Ų10870.2 Ų70.257%0.56537%0.369SS*.EExtended strand (participates in β ladder)trans-80.2119.4174.4-66.8168.3000109.8K11L9-K11 PolarHBondContact O-N 3.41Å
10L57.8Low70.6Confident80 Ų8070.3 Ų70.342%0.41937%0.372SS..SBendtrans-64.3-22.8178.6-95.8157.4000113N12 L27 S74L10-N12 VanDerWaalsContact C-N 3.28Å; L10-N12 PolarHBondContact O-N 3.31Å; L10-N12 VanDerWaalsContact O-N 3.13Å; L10-L27 HydrophobicContact CD2-CD1 4.23Å; L10-S74 WeakPolarHBondContact CD1-OG 3.22Å
11K52Low71.5Confident155 Ų15572.3 Ų72.367%0.67438%0.375SS*.  trans-86.358176.6-74.5-175.3-179.1160.40112.4L9 A13 Q72L9-K11 PolarHBondContact O-N 3.41Å; K11-A13 PolarHBondContact O-N 3.13Å; K11-Q72 VanDerWaalsContact CE-OE1 3.29Å
12N47.9Very low72.2Confident75 Ų7574.2 Ų74.240%0.40139%0.392SS..  trans-74.9117.5164.9-87.6-10.5000109.5L10 L14 K15L10-N12 VanDerWaalsContact C-N 3.28Å; L10-N12 PolarHBondContact O-N 3.31Å; L10-N12 VanDerWaalsContact O-N 3.13Å; N12-L14 PolarHBondContact O-N 3.44Å; N12-K15 PolarHBondContact O-N 3.47Å
13A43Very low72.4Confident108 Ų10874.9 Ų74.989%0.89340%0.397SS*.THydrogen-bonded Turntrans-54.8-11.7178.900000114.4K11K11-A13 PolarHBondContact O-N 3.13Å
14L51.5Low72.6Confident86 Ų8679.9 Ų79.945%0.4542%0.424SS..THydrogen-bonded Turntrans-104.7-3.5-172.5-62.1169000115.2N12 L16 L49 L53N12-L14 PolarHBondContact O-N 3.44Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 HydrophobicContact CB-CD1 4.21Å; L14-L16 HydrophobicContact CB-CD2 4.15Å; L14-L16 HydrophobicContact CB-CG 3.87Å; L14-L16 PolarHBondContact O-N 3.35Å; L14-L49 HydrophobicContact CD1-CD2 3.77Å; L14-L53 HydrophobicContact CD1-CD1 4.24Å
15K64Low73.1Confident154 Ų15479 Ų7967%0.6742%0.418SS*.  trans4053.9179.3-70.2-171.6178.5-179.40114.5N12 R32N12-K15 PolarHBondContact O-N 3.47Å; K15-R32 WeakPolarHBondContact O-CD 3.24Å; K15-R32 PolarHBondContact O-NH1 3.49Å; K15-R32 VanDerWaalsContact O-NH1 3.16Å
16L66.8Low73.5Confident27 Ų2777.7 Ų77.714%0.14141%0.41CS..  trans-79-18.5-174.3-62.9175.1000114.6L14 R32 V46L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 HydrophobicContact CB-CD1 4.21Å; L14-L16 HydrophobicContact CB-CD2 4.15Å; L14-L16 HydrophobicContact CB-CG 3.87Å; L14-L16 PolarHBondContact O-N 3.35Å; L16-R32 PolarHBondContact O-N 2.98Å; L16-V46 HydrophobicContact CD2-CB 4.34Å; L16-V46 HydrophobicContact CD2-CG1 3.33Å; L16-V46 HydrophobicContact CD2-CG2 4.11Å
17W75.8Confident74.1Confident36 Ų3674.3 Ų74.314%0.13639%0.394CS..EExtended strand (participates in β ladder)trans-119141.2-174.3-64.989.6000111.1Q29 R31 R63W17-Q29 HydrophobicContact CB-CB 4.34Å; W17-Q29 HydrophobicContact CE3-CB 4.11Å; W17-R31 HydrophobicContact CE3-CB 4.19Å; W17-R31 HydrophobicContact CH2-CB 4.35Å; W17-R31 HydrophobicContact CZ3-CB 4Å; W17-R63 VanDerWaalsContact CD1-NH2 3.32Å; W17-R63 HydrophobicContact CE3-CG 3.98Å; W17-R63 HydrophobicContact CH2-CG 4.21Å; W17-R63 HydrophobicContact CZ3-CB 4.38Å; W17-R63 HydrophobicContact CZ3-CG 3.78Å
18V82.2Confident74.6Confident70 Ų7068.4 Ų68.442%0.42437%0.366SS..EExtended strand (participates in β ladder)trans-112.5125176.6-173.60000108.5V20 Q29 K30 R32V18-V20 PolarHBondContact O-N 3.2Å; V18-Q29 CarbonylContact O-C 3.45Å; V18-Q29 VanDerWaalsContact O-CA 3.29Å; V18-Q29 WeakPolarHBondContact O-CA 3.41Å; V18-K30 PolarHBondContact N-O 3.47Å; V18-K30 PolarHBondContact O-N 2.93Å; V18-R32 HydrophobicContact CG2-CG 3.37Å
19T86.8Confident75.2Confident67 Ų6767.8 Ų67.841%0.41136%0.362SS..EExtended strand (participates in β ladder)trans-69.6123.9173.1-54.80000109.8R21 L27T19-R21 WeakPolarHBondContact CG2-O 3.47Å; T19-L27 HydrophobicContact CG2-CD2 4.11Å
20V86.7Confident76.2Confident71 Ų7165.7 Ų65.743%0.4335%0.348SS..EExtended strand (participates in β ladder)trans-95.1-42.1177.1-176.90000110.7V18 L28 K30V18-V20 PolarHBondContact O-N 3.2Å; V20-L28 HydrophobicContact CB-CD2 4.4Å; V20-L28 HydrophobicContact CB-CG 4.35Å; V20-L28 PolarHBondContact N-O 3.35Å; V20-K30 HydrophobicContact CG2-CB 3.38Å
21R88.6Confident76.9Confident113 Ų11363.8 Ų63.843%0.42634%0.336SS..EExtended strand (participates in β ladder)trans-141.3153175.1-60.5-177.8-178176.70.2110.2T19 L28 W90T19-R21 WeakPolarHBondContact CG2-O 3.47Å; R21-L28 HydrophobicContact CB-CB 4.03Å; R21-L28 HydrophobicContact CB-CD2 4.34Å; R21-L28 HydrophobicContact CG-CD2 4.26Å; R21-L28 PolarHBondContact N-O 3.17Å; R21-L28 PolarHBondContact O-N 3.46Å; R21-W90 HydrophobicContact CB-CH2 4.08Å; R21-W90 HydrophobicContact CB-CZ2 3.8Å
22S90.3Very high77.7Confident78 Ų7863.7 Ų63.755%0.54533%0.331SS..EExtended strand (participates in β ladder)trans-149.5148.5178.155.90000111.3F26 L27S22-F26 CarbonylContact C-O 3.58Å; S22-F26 WeakPolarHBondContact CA-O 3.49Å; S22-L27 VanDerWaalsContact CB-CD2 3.49Å
23N89Confident78.2Confident33 Ų3362.9 Ų62.918%0.17634%0.341CS..  trans-138.4-174162.963.640000108.9F25 F26 Q67N23-F25 PolarHBondContact O-N 2.89Å; N23-F25 VanDerWaalsContact O-N 3.07Å; N23-F25 PolarHBondContact OD1-N 2.94Å; N23-F26 PolarHBondContact N-O 2.91Å; N23-F26 WeakPolarHBondContact OD1-CA 3.47Å; N23-F26 WeakPolarHBondContact OD1-CB 3.48Å; N23-F26 WeakPolarHBondContact OD1-CD2 3.31Å; N23-F26 PolarHBondContact OD1-N 3.1Å; N23-Q67 PolarHBondContact O-NE2 2.78Å
24D84.6Confident78.7Confident120 Ų12062.1 Ų62.164%0.64232%0.318SS*.SBendtrans-57.8-26.8-174.2-64.2-28.3000114.2P69D24-P69 VanDerWaalsContact O-CG 3.22Å; D24-P69 WeakPolarHBondContact O-CG 3.29Å
25F87.2Confident78.6Confident20 Ų2061.2 Ų61.29%0.08833%0.33CS..SBendtrans-120-16.8-174.9-64.6-81.5000114.1N23 L66 Q67 L98 L101 A110N23-F25 PolarHBondContact O-N 2.89Å; N23-F25 VanDerWaalsContact O-N 3.07Å; N23-F25 PolarHBondContact OD1-N 2.94Å; F25-L66 CarbonylContact O-C 3.56Å; F25-L66 WeakPolarHBondContact O-CA 3.17Å; F25-Q67 WeakPolarHBondContact O-CG 3.09Å; F25-Q67 PolarHBondContact O-N 3.37Å; F25-L98 HydrophobicContact CD2-CD1 4.39Å; F25-L101 HydrophobicContact CB-CD1 4.09Å; F25-L101 HydrophobicContact CD2-CB 3.93Å; F25-L101 HydrophobicContact CD2-CD1 4.11Å; F25-L101 HydrophobicContact CE2-CB 3.75Å; F25-L101 HydrophobicContact CG-CB 4.41Å; F25-L101 HydrophobicContact CG-CD1 4.02Å; F25-L101 HydrophobicContact CZ-CB 4.06Å; F25-A110 HydrophobicContact CE1-CB 3.99Å
26F91.8Very high77.7Confident0 Ų060.4 Ų60.40%033%0.329CS..EExtended strand (participates in β ladder)trans-131.7141.1-171.3-54.9-69.5000112.9S22 N23 I64 L65 L66 I77 W90 L93 L101 V114S22-F26 CarbonylContact C-O 3.58Å; S22-F26 WeakPolarHBondContact CA-O 3.49Å; N23-F26 PolarHBondContact N-O 2.91Å; N23-F26 WeakPolarHBondContact OD1-CA 3.47Å; N23-F26 WeakPolarHBondContact OD1-CB 3.48Å; N23-F26 WeakPolarHBondContact OD1-CD2 3.31Å; N23-F26 PolarHBondContact OD1-N 3.1Å; F26-I64 HydrophobicContact CB-CG2 4.35Å; F26-I64 HydrophobicContact CD1-CG2 4.47Å; F26-L65 CarbonylContact C-O 3.57Å; F26-L65 VanDerWaalsContact CA-O 3.22Å; F26-L65 WeakPolarHBondContact CA-O 3.49Å; F26-L66 HydrophobicContact CD1-CD1 4.31Å; F26-L66 HydrophobicContact CE1-CD1 3.9Å; F26-I77 HydrophobicContact CD1-CD1 3.73Å; F26-I77 HydrophobicContact CE1-CD1 3.57Å; F26-W90 HydrophobicContact CB-CE3 4.44Å; F26-W90 HydrophobicContact CB-CH2 4.03Å; F26-W90 HydrophobicContact CB-CZ3 3.65Å; F26-L93 HydrophobicContact CD1-CD1 3.93Å; F26-L93 HydrophobicContact CD2-CB 4.35Å; F26-L93 HydrophobicContact CE1-CD1 3.99Å; F26-L93 HydrophobicContact CE1-CD2 4.02Å; F26-L93 HydrophobicContact CE1-CG 4.41Å; F26-L93 HydrophobicContact CE2-CB 4.08Å; F26-L93 HydrophobicContact CG-CD1 4.29Å; F26-L93 HydrophobicContact CZ-CB 4.2Å; F26-L93 HydrophobicContact CZ-CD1 4.42Å; F26-L93 HydrophobicContact CZ-CD2 3.96Å; F26-L93 HydrophobicContact CZ-CG 4.4Å; F26-L101 HydrophobicContact CE2-CD1 3.66Å; F26-L101 HydrophobicContact CZ-CD1 3.69Å; F26-V114 HydrophobicContact CE1-CG1 3.91Å; F26-V114 HydrophobicContact CE1-CG2 4.46Å; F26-V114 HydrophobicContact CZ-CG1 4.19Å; F26-V114 HydrophobicContact CZ-CG2 4.1Å
27L90.7Very high76.4Confident13 Ų1368.4 Ų68.47%0.06837%0.365CS..EExtended strand (participates in β ladder)trans-123118.7172.4-60.4169.4000109.8L10 T19 S22 Q29 I64 L65 Q67L10-L27 HydrophobicContact CD2-CD1 4.23Å; T19-L27 HydrophobicContact CG2-CD2 4.11Å; S22-L27 VanDerWaalsContact CB-CD2 3.49Å; L27-Q29 HydrophobicContact CB-CG 4.35Å; L27-I64 CarbonylContact O-C 3.55Å; L27-I64 VanDerWaalsContact O-CA 3.3Å; L27-I64 WeakPolarHBondContact O-CA 3.42Å; L27-L65 HydrophobicContact CB-CB 4.18Å; L27-L65 HydrophobicContact CD1-CD1 4.25Å; L27-L65 PolarHBondContact N-O 2.82Å; L27-L65 PolarHBondContact O-N 2.88Å; L27-Q67 HydrophobicContact CD1-CB 4.44Å; L27-Q67 HydrophobicContact CG-CG 4.25Å
28L90.6Very high74.7Confident0 Ų071.5 Ų71.50%039%0.388CS..EExtended strand (participates in β ladder)trans-88120.7165.8177.463.5000108.6V20 R21 I64 I83 V86 W90V20-L28 HydrophobicContact CB-CD2 4.4Å; V20-L28 HydrophobicContact CB-CG 4.35Å; V20-L28 PolarHBondContact N-O 3.35Å; R21-L28 HydrophobicContact CB-CB 4.03Å; R21-L28 HydrophobicContact CB-CD2 4.34Å; R21-L28 HydrophobicContact CG-CD2 4.26Å; R21-L28 PolarHBondContact N-O 3.17Å; R21-L28 PolarHBondContact O-N 3.46Å; L28-I64 HydrophobicContact CD1-CG1 3.81Å; L28-I83 HydrophobicContact CD2-CD1 4.41Å; L28-V86 HydrophobicContact CD1-CB 4.24Å; L28-V86 HydrophobicContact CD1-CG1 3.47Å; L28-V86 VanDerWaalsContact CD1-CG1 3.47Å; L28-V86 HydrophobicContact CD1-CG2 3.72Å; L28-V86 HydrophobicContact CD2-CG1 4.23Å; L28-V86 HydrophobicContact CG-CG1 4.46Å; L28-W90 HydrophobicContact CB-CD2 4.34Å; L28-W90 HydrophobicContact CB-CE3 3.66Å; L28-W90 HydrophobicContact CB-CH2 4.47Å; L28-W90 HydrophobicContact CB-CZ3 3.73Å
29Q88.3Confident72.7Confident9 Ų976.3 Ų76.34%0.04241%0.411CS..EExtended strand (participates in β ladder)trans-119.2143.2-178.9-62.6-174.5-27.200111.3W17 V18 L27 F62 R63 L65W17-Q29 HydrophobicContact CB-CB 4.34Å; W17-Q29 HydrophobicContact CE3-CB 4.11Å; V18-Q29 CarbonylContact O-C 3.45Å; V18-Q29 VanDerWaalsContact O-CA 3.29Å; V18-Q29 WeakPolarHBondContact O-CA 3.41Å; L27-Q29 HydrophobicContact CB-CG 4.35Å; Q29-F62 VanDerWaalsContact O-CA 3.3Å; Q29-F62 WeakPolarHBondContact O-CA 3.44Å; Q29-R63 HydrophobicContact CB-CG 3.99Å; Q29-R63 PolarHBondContact N-O 2.96Å; Q29-R63 PolarHBondContact O-N 3.08Å; Q29-R63 VanDerWaalsContact OE1-CZ 3.29Å; Q29-L65 HydrophobicContact CG-CD1 4.47Å; Q29-L65 VanDerWaalsContact OE1-CD1 3.27Å
30K84.8Confident70.9Confident64 Ų6480.8 Ų80.828%0.27843%0.425SS..EExtended strand (participates in β ladder)trans-112.6143.4170.5178.1-174.5179.8-173.20109.5V18 V20 H34 P61 F62V18-K30 PolarHBondContact N-O 3.47Å; V18-K30 PolarHBondContact O-N 2.93Å; V20-K30 HydrophobicContact CG2-CB 3.38Å; K30-H34 WeakPolarHBondContact CE-O 3.48Å; K30-H34 PolarHBondContact NZ-O 2.79Å; K30-P61 CarbonylContact C-O 3.49Å; K30-P61 WeakPolarHBondContact CA-O 3.41Å; K30-F62 HydrophobicContact CB-CD1 3.82Å; K30-F62 HydrophobicContact CB-CE1 3.77Å; K30-F62 HydrophobicContact CD-CE1 3.74Å; K30-F62 HydrophobicContact CD-CZ 4.3Å; K30-F62 HydrophobicContact CG-CD1 3.97Å; K30-F62 HydrophobicContact CG-CE1 3.52Å; K30-F62 HydrophobicContact CG-CZ 4.26Å
31R73.4Confident69.1Low41 Ų4184 Ų8416%0.15544%0.438CS..EExtended strand (participates in β ladder)trans-70.9139.4175.5-158.1-166.3-167.7101.5-7.9112.4W17 D50 A57 P61W17-R31 HydrophobicContact CE3-CB 4.19Å; W17-R31 HydrophobicContact CH2-CB 4.35Å; W17-R31 HydrophobicContact CZ3-CB 4Å; R31-D50 IonicContact CZ-OD2 3.58Å; R31-D50 IonicContact NE-OD2 2.82Å; R31-D50 IonicContact NH2-OD1 3.54Å; R31-D50 PolarHBondContact NH2-OD1 2.89Å; R31-D50 VanDerWaalsContact NH2-OD1 3.15Å; R31-D50 IonicContact NH2-OD2 3.15Å; R31-D50 PolarHBondContact NH2-OD2 2.86Å; R31-A57 PolarHBondContact NH1-O 2.88Å; R31-P61 PolarHBondContact N-O 3.36Å
32R67.8Low67.2Low153 Ų15383.5 Ų83.558%0.57745%0.448SS*.THydrogen-bonded Turntrans-65.1136.2170.5-81.2-168.5168.5164.6-12.2111.2K15 L16 V18K15-R32 WeakPolarHBondContact O-CD 3.24Å; K15-R32 PolarHBondContact O-NH1 3.49Å; K15-R32 VanDerWaalsContact O-NH1 3.16Å; L16-R32 PolarHBondContact O-N 2.98Å; V18-R32 HydrophobicContact CG2-CG 3.37Å
33G58.8Low65.3Low58 Ų5882.1 Ų82.160%0.59845%0.446SS*.THydrogen-bonded Turntrans88.4-3176.700000115.9
34H52.9Low63.2Low91 Ų9187.4 Ų87.442%0.42147%0.473SS..THydrogen-bonded Turntrans-86.5111.2175.3-167.977000111K30 P61K30-H34 WeakPolarHBondContact CE-O 3.48Å; K30-H34 PolarHBondContact NZ-O 2.79Å; H34-P61 HydrophobicContact CB-CB 4.09Å; H34-P61 WeakPolarHBondContact CD2-CB 3.36Å; H34-P61 VanDerWaalsContact CG-CB 3.46Å; H34-P61 WeakPolarHBondContact NE2-CG 3.39Å
35G49.3Very low61.2Low68 Ų6887.1 Ų87.170%0.70147%0.471SS*.THydrogen-bonded Turntrans87.515.3176.100000116.6
36E45.1Very low59.5Low137 Ų13788.7 Ų88.764%0.6448%0.482SS*.  trans-107.6122.2174.8-74.7179.317100111T38E36-T38 PolarHBondContact O-N 3.44Å
37H39.8Very low57.2Low195 Ų19589.7 Ų89.790%0.90349%0.493SS*.  trans-72.116.4-179-75.1-80.9000115.1
38T40.3Very low54.9Low100 Ų10091.1 Ų91.161%0.61351%0.506SS*.  trans-96.2111.6-173.549.90000113.2E36 K40E36-T38 PolarHBondContact O-N 3.44Å; T38-K40 VanDerWaalsContact C-N 3.32Å; T38-K40 PolarHBondContact O-N 3.04Å
39N40.2Very low52.7Low171 Ų17195.2 Ų95.291%0.91453%0.527SS*.  trans-56.772.6172.3-76.5-23.5000114.3
40K48.3Very low50.6Low161 Ų16196 Ų9670%0.753%0.532SS*.  trans-118.8127.5170.3-73.8-174.6178.9176.90112.4T38 T42 G43T38-K40 VanDerWaalsContact C-N 3.32Å; T38-K40 PolarHBondContact O-N 3.04Å; K40-T42 PolarHBondContact O-N 3.04Å; K40-G43 PolarHBondContact O-N 3.07Å
41I49.1Very low48.6Very low140 Ų14094.1 Ų94.172%0.71853%0.526SS*.THydrogen-bonded Turntrans-52.2-20.3-179.3-63.5164.2000113.2G43 L44 L45I41-G43 VanDerWaalsContact C-N 3.3Å; I41-G43 PolarHBondContact O-N 3.24Å; I41-L44 PolarHBondContact O-N 2.74Å; I41-L45 HydrophobicContact CG2-CD1 4.49Å
42T48.9Very low47.1Very low102 Ų10298.1 Ų98.163%0.62655%0.554SS**Hα-helixtrans-63.5-27.1174.545.10000114.2K40 V46K40-T42 PolarHBondContact O-N 3.04Å; T42-V46 VanDerWaalsContact O-CG2 3.29Å; T42-V46 WeakPolarHBondContact O-CG2 3.22Å; T42-V46 PolarHBondContact O-N 2.81Å
43G50.9Low46Very low48 Ų4896.6 Ų96.650%0.49556%0.557SS.*Hα-helixtrans-72.3-31.5177.200000114K40 I41 G47K40-G43 PolarHBondContact O-N 3.07Å; I41-G43 VanDerWaalsContact C-N 3.3Å; I41-G43 PolarHBondContact O-N 3.24Å; G43-G47 PolarHBondContact O-N 2.94Å
44L44.6Very low45.4Very low144 Ų14496 Ų9675%0.75454%0.54SS*.Hα-helixtrans-75.3-38.1-178.9-103.7138.9000112.8I41 G47I41-L44 PolarHBondContact O-N 2.74Å; L44-G47 PolarHBondContact O-N 3.47Å
45L42.6Very low45Very low115 Ų11596.2 Ų96.260%0.60255%0.552SS**Hα-helixtrans-71.2-34.8177.8-85.9156.8000112.6I41 A48 L49I41-L45 HydrophobicContact CG2-CD1 4.49Å; L45-A48 PolarHBondContact O-N 2.9Å; L45-L49 PolarHBondContact O-N 2.98Å
46V50.6Low44.8Very low53 Ų5394.9 Ų94.932%0.32153%0.529SS..Hα-helixtrans-63.7-41.8173.6166.40000110.9L16 T42 A48 L49 D50L16-V46 HydrophobicContact CD2-CB 4.34Å; L16-V46 HydrophobicContact CD2-CG1 3.33Å; L16-V46 HydrophobicContact CD2-CG2 4.11Å; T42-V46 VanDerWaalsContact O-CG2 3.29Å; T42-V46 WeakPolarHBondContact O-CG2 3.22Å; T42-V46 PolarHBondContact O-N 2.81Å; V46-A48 VanDerWaalsContact C-N 3.28Å; V46-A48 PolarHBondContact O-N 3.24Å; V46-L49 PolarHBondContact O-N 3.02Å; V46-D50 WeakPolarHBondContact O-CB 3.41Å; V46-D50 PolarHBondContact O-N 2.98Å
47G44.1Very low44.7Very low21 Ų2188.7 Ų88.722%0.21650%0.501CS..Hα-helixtrans-65.2-22178.600000115.8G43 L44 T51G43-G47 PolarHBondContact O-N 2.94Å; L44-G47 PolarHBondContact O-N 3.47Å; G47-T51 PolarHBondContact O-OG1 3.4Å
48A42.8Very low45.2Very low42 Ų4284.9 Ų84.935%0.34748%0.479SS..Hα-helixtrans-87.3-30.8175.900000113.1L45 V46 T51L45-A48 PolarHBondContact O-N 2.9Å; V46-A48 VanDerWaalsContact C-N 3.28Å; V46-A48 PolarHBondContact O-N 3.24Å; A48-T51 PolarHBondContact O-OG1 3.4Å
49L43.5Very low45.8Very low86 Ų8681.8 Ų81.845%0.4546%0.46SS..Hα-helixtrans-74.5-30169.9-103.5112.1000112.1L14 L45 V46 T51 V52 L53L14-L49 HydrophobicContact CD1-CD2 3.77Å; L45-L49 PolarHBondContact O-N 2.98Å; V46-L49 PolarHBondContact O-N 3.02Å; L49-T51 PolarHBondContact O-N 3.17Å; L49-T51 VanDerWaalsContact O-N 3.16Å; L49-V52 PolarHBondContact O-N 3.06Å; L49-L53 HydrophobicContact CD2-CD1 4.09Å
50D44.1Very low46.8Very low26 Ų2674.5 Ų74.514%0.13942%0.422CS..Hα-helixtrans-59.9-18.8176.3-80.8-26.6000114.3R31 V46 V52R31-D50 IonicContact CZ-OD2 3.58Å; R31-D50 IonicContact NE-OD2 2.82Å; R31-D50 IonicContact NH2-OD1 3.54Å; R31-D50 PolarHBondContact NH2-OD1 2.89Å; R31-D50 VanDerWaalsContact NH2-OD1 3.15Å; R31-D50 IonicContact NH2-OD2 3.15Å; R31-D50 PolarHBondContact NH2-OD2 2.86Å; V46-D50 WeakPolarHBondContact O-CB 3.41Å; V46-D50 PolarHBondContact O-N 2.98Å; D50-V52 VanDerWaalsContact C-N 3.3Å; D50-V52 PolarHBondContact O-N 3.4Å
51T43.9Very low47.9Very low24 Ų2467.4 Ų67.415%0.14739%0.392CS..Hα-helixtrans-78.2-18.1-177.3-5.50000112.8G47 A48 L49 R58 L191G47-T51 PolarHBondContact O-OG1 3.4Å; A48-T51 PolarHBondContact O-OG1 3.4Å; L49-T51 PolarHBondContact O-N 3.17Å; L49-T51 VanDerWaalsContact O-N 3.16Å; T51-R58 PolarHBondContact O-NH2 3.38Å; T51-L191 HydrophobicContact CG2-CD1 4Å
52V41.8Very low49.6Very low125 Ų12561.5 Ų61.576%0.75836%0.361SS*.Hα-helixtrans-108.7-24.6-170.2-179.30000113.3L49 D50L49-V52 PolarHBondContact O-N 3.06Å; D50-V52 VanDerWaalsContact C-N 3.3Å; D50-V52 PolarHBondContact O-N 3.4Å
53L44.5Very low51.4Low121 Ų12157.6 Ų57.663%0.63434%0.335SS*.Hα-helixtrans-111.4-18.6-161.7-71.9168.7000117.1L14 L49L14-L53 HydrophobicContact CD1-CD1 4.24Å; L49-L53 HydrophobicContact CD2-CD1 4.09Å
54D46.5Very low53.2Low45 Ų4555.3 Ų55.324%0.24131%0.311CS..  trans-152.3107-177.7-166.3-17.8000111.6N56 A57D54-N56 VanDerWaalsContact C-N 3.31Å; D54-N56 PolarHBondContact O-N 2.81Å; D54-N56 PolarHBondContact OD1-N 3.17Å; D54-A57 HydrophobicContact CB-CB 3.72Å; D54-A57 WeakPolarHBondContact O-CB 3.42Å; D54-A57 PolarHBondContact O-N 3.47Å; D54-A57 PolarHBondContact OD1-N 2.8Å
55S43.8Very low55.4Low96 Ų9648.6 Ų48.667%0.67128%0.276SS*.SBendtrans-68.3-26.4-17927.50000113.4
56N44.5Very low57.7Low40 Ų4043.1 Ų43.121%0.21425%0.247CC..G310 helixtrans-87-14.5179.3-84.4-14000113.3E6 D54 R58E6-N56 PolarHBondContact OE1-ND2 2.96Å; E6-N56 PolarHBondContact OE2-ND2 3.02Å; D54-N56 VanDerWaalsContact C-N 3.31Å; D54-N56 PolarHBondContact O-N 2.81Å; D54-N56 PolarHBondContact OD1-N 3.17Å; N56-R58 PolarHBondContact O-N 2.91Å
57A43Very low59.4Low8 Ų842.6 Ų42.67%0.06624%0.242CC..G310 helixtrans-70-5.4176.900000114.3R31 D54R31-A57 PolarHBondContact NH1-O 2.88Å; D54-A57 HydrophobicContact CB-CB 3.72Å; D54-A57 WeakPolarHBondContact O-CB 3.42Å; D54-A57 PolarHBondContact O-N 3.47Å; D54-A57 PolarHBondContact OD1-N 2.8Å
58R51.5Low61.3Low115 Ų11542.3 Ų42.343%0.43424%0.236SC..G310 helixtrans-86.7-15.6-171.8-67.1-172.8-174.1-175.94.6116T51 N56T51-R58 PolarHBondContact O-NH2 3.38Å; N56-R58 PolarHBondContact O-N 2.91Å
59V51.8Low62.6Low34 Ų3442.7 Ų42.721%0.20624%0.235CC..THydrogen-bonded Turntrans-114.7-27.8-161.4-167.20000114.3K146 L149V59-K146 HydrophobicContact CG1-CG 4.06Å; V59-K146 HydrophobicContact CG2-CD 4.19Å; V59-K146 VanDerWaalsContact CG2-CE 3.48Å; V59-K146 HydrophobicContact CG2-CG 3.9Å; V59-L149 HydrophobicContact CG1-CD2 3.75Å
60T62Low63.9Low19 Ų1943 Ų4312%0.11726%0.258CS..  trans-140.7121.7-169.644.90000111.6F62 S79 G80T60-F62 PolarHBondContact O-N 2.93Å; T60-S79 WeakPolarHBondContact OG1-CB 3.43Å; T60-S79 PolarHBondContact OG1-OG 3.14Å; T60-G80 VanDerWaalsContact CB-O 3.24Å; T60-G80 WeakPolarHBondContact CB-O 3.35Å; T60-G80 VanDerWaalsContact CG2-C 3.48Å
61P71.9Confident65.4Low12 Ų1244.1 Ų44.18%0.07827%0.268CS..SBendtrans-72.2-11.3-179.329.3-33.3000112.9K30 R31 H34 G80 A81K30-P61 CarbonylContact C-O 3.49Å; K30-P61 WeakPolarHBondContact CA-O 3.41Å; R31-P61 PolarHBondContact N-O 3.36Å; H34-P61 HydrophobicContact CB-CB 4.09Å; H34-P61 WeakPolarHBondContact CD2-CB 3.36Å; H34-P61 VanDerWaalsContact CG-CB 3.46Å; H34-P61 WeakPolarHBondContact NE2-CG 3.39Å; P61-G80 WeakPolarHBondContact CD-O 3.27Å; P61-A81 WeakPolarHBondContact CD-O 3.47Å; P61-A81 WeakPolarHBondContact CG-O 3.39Å
62F83.2Confident66.7Low15 Ų1548.5 Ų48.57%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-121.4140.3177.6-53.6-81.3000112.1Q29 K30 T60 S79 G80 I83 V86Q29-F62 VanDerWaalsContact O-CA 3.3Å; Q29-F62 WeakPolarHBondContact O-CA 3.44Å; K30-F62 HydrophobicContact CB-CD1 3.82Å; K30-F62 HydrophobicContact CB-CE1 3.77Å; K30-F62 HydrophobicContact CD-CE1 3.74Å; K30-F62 HydrophobicContact CD-CZ 4.3Å; K30-F62 HydrophobicContact CG-CD1 3.97Å; K30-F62 HydrophobicContact CG-CE1 3.52Å; K30-F62 HydrophobicContact CG-CZ 4.26Å; T60-F62 PolarHBondContact O-N 2.93Å; F62-S79 VanDerWaalsContact O-CA 3.3Å; F62-S79 WeakPolarHBondContact O-CA 3.42Å; F62-S79 WeakPolarHBondContact O-CB 3.42Å; F62-G80 PolarHBondContact N-O 2.96Å; F62-G80 PolarHBondContact O-N 3.31Å; F62-I83 HydrophobicContact CD1-CD1 3.58Å; F62-I83 HydrophobicContact CD2-CB 4.48Å; F62-I83 HydrophobicContact CE1-CB 4.04Å; F62-I83 HydrophobicContact CE1-CD1 3.42Å; F62-I83 VanDerWaalsContact CE1-CD1 3.42Å; F62-I83 HydrophobicContact CE1-CG1 4.2Å; F62-I83 HydrophobicContact CE2-CB 3.92Å; F62-I83 VanDerWaalsContact CE2-N 3.33Å; F62-I83 HydrophobicContact CG-CD1 4.26Å; F62-I83 HydrophobicContact CZ-CB 3.68Å; F62-I83 HydrophobicContact CZ-CD1 4.02Å; F62-I83 HydrophobicContact CZ-CG1 4.33Å; F62-V86 HydrophobicContact CB-CB 3.84Å; F62-V86 HydrophobicContact CB-CG1 3.71Å; F62-V86 HydrophobicContact CB-CG2 3.87Å; F62-V86 HydrophobicContact CD1-CG1 4.5Å; F62-V86 HydrophobicContact CG-CG1 4.09Å
63R87.4Confident68.3Low21 Ų2144 Ų448%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-142.3151.3176.269.8-177.2-172.1177.43.5112.3W17 Q29 A78W17-R63 VanDerWaalsContact CD1-NH2 3.32Å; W17-R63 HydrophobicContact CE3-CG 3.98Å; W17-R63 HydrophobicContact CH2-CG 4.21Å; W17-R63 HydrophobicContact CZ3-CB 4.38Å; W17-R63 HydrophobicContact CZ3-CG 3.78Å; Q29-R63 HydrophobicContact CB-CG 3.99Å; Q29-R63 PolarHBondContact N-O 2.96Å; Q29-R63 PolarHBondContact O-N 3.08Å; Q29-R63 VanDerWaalsContact OE1-CZ 3.29Å; R63-A78 CarbonylContact C-O 3.51Å; R63-A78 WeakPolarHBondContact CA-O 3.43Å
64I90.1Very high70.2Confident0 Ų038.3 Ų38.30%023%0.23CC..EExtended strand (participates in β ladder)trans-110.6124.5171.1-53.9178.8000108.6F26 L27 L28 I77 A78 V86 H89 W90 L93F26-I64 HydrophobicContact CB-CG2 4.35Å; F26-I64 HydrophobicContact CD1-CG2 4.47Å; L27-I64 CarbonylContact O-C 3.55Å; L27-I64 VanDerWaalsContact O-CA 3.3Å; L27-I64 WeakPolarHBondContact O-CA 3.42Å; L28-I64 HydrophobicContact CD1-CG1 3.81Å; I64-I77 HydrophobicContact CB-CG1 4.33Å; I64-I77 HydrophobicContact CG2-CD1 4.17Å; I64-I77 HydrophobicContact CG2-CG1 4.1Å; I64-I77 WeakPolarHBondContact O-CG1 3.3Å; I64-I77 PolarHBondContact O-N 3.35Å; I64-A78 HydrophobicContact CB-CB 4.17Å; I64-A78 HydrophobicContact CD1-CB 4.16Å; I64-A78 HydrophobicContact CG1-CB 4.34Å; I64-A78 PolarHBondContact N-O 2.91Å; I64-A78 PolarHBondContact O-N 2.75Å; I64-V86 HydrophobicContact CD1-CG2 4.19Å; I64-V86 HydrophobicContact CG1-CG2 3.91Å; I64-H89 HydrophobicContact CD1-CB 3.86Å; I64-W90 HydrophobicContact CD1-CB 3.93Å; I64-W90 HydrophobicContact CD1-CE3 4.29Å; I64-W90 HydrophobicContact CG1-CE3 4.46Å; I64-W90 HydrophobicContact CG2-CE3 4.24Å; I64-W90 HydrophobicContact CG2-CZ3 4.43Å; I64-L93 HydrophobicContact CD1-CD1 4.14Å; I64-L93 HydrophobicContact CG2-CD1 3.76Å
65L89.8Confident72.2Confident2 Ų237.8 Ų37.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-100.4138.8172.3-55.7175.3000110.3F26 L27 Q29 W75 V76F26-L65 CarbonylContact C-O 3.57Å; F26-L65 VanDerWaalsContact CA-O 3.22Å; F26-L65 WeakPolarHBondContact CA-O 3.49Å; L27-L65 HydrophobicContact CB-CB 4.18Å; L27-L65 HydrophobicContact CD1-CD1 4.25Å; L27-L65 PolarHBondContact N-O 2.82Å; L27-L65 PolarHBondContact O-N 2.88Å; Q29-L65 HydrophobicContact CG-CD1 4.47Å; Q29-L65 VanDerWaalsContact OE1-CD1 3.27Å; L65-W75 CarbonylContact C-O 3.59Å; L65-W75 VanDerWaalsContact CA-O 3.22Å; L65-W75 WeakPolarHBondContact CA-O 3.27Å; L65-V76 HydrophobicContact CD2-CB 4.11Å; L65-V76 HydrophobicContact CD2-CG2 3.31Å
66L90.4Very high74.2Confident0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-83.7119.3158.5173.463000108.4F25 F26 S74 W75 I77 A111 V114 K115F25-L66 CarbonylContact O-C 3.56Å; F25-L66 WeakPolarHBondContact O-CA 3.17Å; F26-L66 HydrophobicContact CD1-CD1 4.31Å; F26-L66 HydrophobicContact CE1-CD1 3.9Å; L66-S74 CarbonylContact O-C 3.52Å; L66-S74 VanDerWaalsContact O-CA 3.29Å; L66-S74 WeakPolarHBondContact O-CA 3.22Å; L66-S74 WeakPolarHBondContact O-CB 3.3Å; L66-W75 HydrophobicContact CB-CB 4.45Å; L66-W75 HydrophobicContact CD2-CE3 4.45Å; L66-W75 HydrophobicContact CG-CE3 4.44Å; L66-W75 PolarHBondContact N-O 2.81Å; L66-W75 PolarHBondContact O-N 2.77Å; L66-I77 HydrophobicContact CB-CD1 4.2Å; L66-I77 HydrophobicContact CB-CG1 4.48Å; L66-I77 HydrophobicContact CB-CG2 3.8Å; L66-I77 HydrophobicContact CD2-CG2 4.48Å; L66-A111 HydrophobicContact CD2-CB 4.12Å; L66-V114 HydrophobicContact CD1-CB 4.12Å; L66-V114 HydrophobicContact CD1-CG1 4.06Å; L66-V114 HydrophobicContact CD1-CG2 4.08Å; L66-V114 HydrophobicContact CD2-CB 3.89Å; L66-V114 HydrophobicContact CD2-CG1 3.89Å; L66-V114 HydrophobicContact CG-CG1 4.48Å; L66-K115 HydrophobicContact CD2-CG 4.01Å
67Q87.6Confident76.3Confident43 Ų4331.8 Ų31.820%0.20119%0.185CC..EExtended strand (participates in β ladder)trans-109.7144.6174.461.8174.31.900110.7N23 F25 L27N23-Q67 PolarHBondContact O-NE2 2.78Å; F25-Q67 WeakPolarHBondContact O-CG 3.09Å; F25-Q67 PolarHBondContact O-N 3.37Å; L27-Q67 HydrophobicContact CD1-CB 4.44Å; L27-Q67 HydrophobicContact CG-CG 4.25Å
68V82.6Confident78.4Confident15 Ų1531.4 Ų31.49%0.09118%0.182CC..  trans-105115.5168.2174.10000107.4G70 S71 W75 K107 A111V68-G70 PolarHBondContact O-N 2.84Å; V68-G70 VanDerWaalsContact O-N 3.1Å; V68-S71 WeakPolarHBondContact O-CB 3.4Å; V68-S71 PolarHBondContact O-N 3.14Å; V68-W75 HydrophobicContact CG2-CH2 4.5Å; V68-W75 HydrophobicContact CG2-CZ3 3.84Å; V68-K107 HydrophobicContact CG1-CB 3.89Å; V68-A111 HydrophobicContact CG2-CB 3.49Å; V68-A111 VanDerWaalsContact CG2-CB 3.49Å
69P71.8Confident80Confident50 Ų5026.2 Ų26.233%0.32516%0.163SC..THydrogen-bonded Turntrans-54117.7178.8-27.332.7000111.9D24 K107D24-P69 VanDerWaalsContact O-CG 3.22Å; D24-P69 WeakPolarHBondContact O-CG 3.29Å; P69-K107 HydrophobicContact CB-CD 3.96Å; P69-K107 HydrophobicContact CG-CD 3.99Å
70G69Low81.2Confident91 Ų9124.6 Ų24.694%0.93815%0.154SC*.THydrogen-bonded Turntrans99.2-11.2-177.900000115.1V68V68-G70 PolarHBondContact O-N 2.84Å; V68-G70 VanDerWaalsContact O-N 3.1Å
71S77.4Confident81.5Confident50 Ų5025.2 Ų25.235%0.3516%0.16SC..  trans-92.1147.3173.6-174.50000111.7V68 V73V68-S71 WeakPolarHBondContact O-CB 3.4Å; V68-S71 PolarHBondContact O-N 3.14Å; S71-V73 PolarHBondContact OG-N 2.88Å; S71-V73 VanDerWaalsContact OG-N 3.17Å
72Q70.3Confident81.6Confident117 Ų11726.2 Ų26.255%0.54717%0.17SC..SBendtrans-85.6-1.8170.7-64.7-159.331.200113.2K11K11-Q72 VanDerWaalsContact CE-OE1 3.29Å
73V75.6Confident81.5Confident30 Ų3027.8 Ų27.818%0.18218%0.179CC..EExtended strand (participates in β ladder)trans-102.7133.3-177.5-176.80000109.3E7 S71 W75E7-V73 HydrophobicContact CG-CG1 3.23Å; E7-V73 WeakPolarHBondContact OE1-CG1 3.27Å; S71-V73 PolarHBondContact OG-N 2.88Å; S71-V73 VanDerWaalsContact OG-N 3.17Å; V73-W75 HydrophobicContact CB-CH2 4.17Å; V73-W75 HydrophobicContact CB-CZ2 4.29Å; V73-W75 HydrophobicContact CG1-CD2 4.43Å; V73-W75 HydrophobicContact CG1-CH2 3.74Å; V73-W75 HydrophobicContact CG1-CZ2 3.41Å; V73-W75 VanDerWaalsContact CG1-CZ2 3.41Å; V73-W75 HydrophobicContact CG1-CZ3 4.34Å
74S84.6Confident81.2Confident1 Ų132.6 Ų32.61%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-132.6160.7171.9-67.80000109.7V8 L10 L66V8-S74 PolarHBondContact N-O 3.46Å; V8-S74 PolarHBondContact O-N 3.31Å; V8-S74 VanDerWaalsContact O-N 3.14Å; L10-S74 WeakPolarHBondContact CD1-OG 3.22Å; L66-S74 CarbonylContact O-C 3.52Å; L66-S74 VanDerWaalsContact O-CA 3.29Å; L66-S74 WeakPolarHBondContact O-CA 3.22Å; L66-S74 WeakPolarHBondContact O-CB 3.3Å
75W87.4Confident80.7Confident34 Ų3436.8 Ų36.813%0.12922%0.222CC..EExtended strand (participates in β ladder)trans-122.8132.8-179-62.1-93.1000111.7P5 E6 L65 L66 V68 V73 I77 K115P5-W75 HydrophobicContact CB-CB 4.07Å; P5-W75 HydrophobicContact CB-CG 4.45Å; E6-W75 CarbonylContact O-C 3.54Å; E6-W75 WeakPolarHBondContact O-CA 3.29Å; L65-W75 CarbonylContact C-O 3.59Å; L65-W75 VanDerWaalsContact CA-O 3.22Å; L65-W75 WeakPolarHBondContact CA-O 3.27Å; L66-W75 HydrophobicContact CB-CB 4.45Å; L66-W75 HydrophobicContact CD2-CE3 4.45Å; L66-W75 HydrophobicContact CG-CE3 4.44Å; L66-W75 PolarHBondContact N-O 2.81Å; L66-W75 PolarHBondContact O-N 2.77Å; V68-W75 HydrophobicContact CG2-CH2 4.5Å; V68-W75 HydrophobicContact CG2-CZ3 3.84Å; V73-W75 HydrophobicContact CB-CH2 4.17Å; V73-W75 HydrophobicContact CB-CZ2 4.29Å; V73-W75 HydrophobicContact CG1-CD2 4.43Å; V73-W75 HydrophobicContact CG1-CH2 3.74Å; V73-W75 HydrophobicContact CG1-CZ2 3.41Å; V73-W75 VanDerWaalsContact CG1-CZ2 3.41Å; V73-W75 HydrophobicContact CG1-CZ3 4.34Å; W75-I77 HydrophobicContact CB-CG2 4.48Å; W75-I77 PolarHBondContact O-N 3.26Å; W75-K115 VanDerWaalsContact CD2-CE 3.42Å
76V86.5Confident80.5Confident11 Ų1136.7 Ų36.77%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-74.2123.6170.6179.70000108.4L3 P5 E6 V8 L65L3-V76 HydrophobicContact CD1-CG1 3.58Å; P5-V76 WeakPolarHBondContact CA-O 3.34Å; E6-V76 PolarHBondContact N-O 2.94Å; E6-V76 PolarHBondContact O-N 2.96Å; V8-V76 HydrophobicContact CG2-CG2 3.52Å; L65-V76 HydrophobicContact CD2-CB 4.11Å; L65-V76 HydrophobicContact CD2-CG2 3.31Å
77I88.4Confident80.5Confident0 Ų038.1 Ų38.10%023%0.229CC..EExtended strand (participates in β ladder)trans-119.8-18.6-176.158.3164.3000113.6L3 P5 F26 I64 L66 W75 L93 V114 V118L3-I77 PolarHBondContact N-O 3.49Å; P5-I77 HydrophobicContact CB-CG2 4.23Å; P5-I77 HydrophobicContact CG-CG2 4.21Å; F26-I77 HydrophobicContact CD1-CD1 3.73Å; F26-I77 HydrophobicContact CE1-CD1 3.57Å; I64-I77 HydrophobicContact CB-CG1 4.33Å; I64-I77 HydrophobicContact CG2-CD1 4.17Å; I64-I77 HydrophobicContact CG2-CG1 4.1Å; I64-I77 WeakPolarHBondContact O-CG1 3.3Å; I64-I77 PolarHBondContact O-N 3.35Å; L66-I77 HydrophobicContact CB-CD1 4.2Å; L66-I77 HydrophobicContact CB-CG1 4.48Å; L66-I77 HydrophobicContact CB-CG2 3.8Å; L66-I77 HydrophobicContact CD2-CG2 4.48Å; W75-I77 HydrophobicContact CB-CG2 4.48Å; W75-I77 PolarHBondContact O-N 3.26Å; I77-L93 HydrophobicContact CD1-CD1 3.71Å; I77-L93 HydrophobicContact CD1-CD2 4.18Å; I77-V114 HydrophobicContact CD1-CG1 4.33Å; I77-V118 HydrophobicContact CB-CG1 4.44Å; I77-V118 HydrophobicContact CB-CG2 4.27Å; I77-V118 HydrophobicContact CD1-CG2 4.49Å
78A87.3Confident80.5Confident0 Ų043.5 Ų43.50%025%0.252CS..EExtended strand (participates in β ladder)trans-155.6159.6174.900000110.8M1 W2 R63 I64 H89M1-A78 CarbonylContact O-C 3.58Å; M1-A78 VanDerWaalsContact O-CA 3.26Å; M1-A78 WeakPolarHBondContact O-CA 3.47Å; M1-A78 WeakPolarHBondContact O-CB 3.36Å; W2-A78 HydrophobicContact CE3-CB 3.84Å; W2-A78 HydrophobicContact CZ3-CB 4.06Å; R63-A78 CarbonylContact C-O 3.51Å; R63-A78 WeakPolarHBondContact CA-O 3.43Å; I64-A78 HydrophobicContact CB-CB 4.17Å; I64-A78 HydrophobicContact CD1-CB 4.16Å; I64-A78 HydrophobicContact CG1-CB 4.34Å; I64-A78 PolarHBondContact N-O 2.91Å; I64-A78 PolarHBondContact O-N 2.75Å; A78-H89 HydrophobicContact CB-CB 4.1Å
79S85.4Confident80.9Confident5 Ų544.3 Ų44.34%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-147.6164175.268.50000112.1M1 L3 T60 F62M1-S79 PolarHBondContact N-O 3.42Å; M1-S79 PolarHBondContact O-N 3.1Å; L3-S79 WeakPolarHBondContact CD1-OG 3.24Å; T60-S79 WeakPolarHBondContact OG1-CB 3.43Å; T60-S79 PolarHBondContact OG1-OG 3.14Å; F62-S79 VanDerWaalsContact O-CA 3.3Å; F62-S79 WeakPolarHBondContact O-CA 3.42Å; F62-S79 WeakPolarHBondContact O-CB 3.42Å
80G76.8Confident81.9Confident1 Ų142.8 Ų42.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-150.4141.7179.100000112.6T60 P61 F62T60-G80 VanDerWaalsContact CB-O 3.24Å; T60-G80 WeakPolarHBondContact CB-O 3.35Å; T60-G80 VanDerWaalsContact CG2-C 3.48Å; P61-G80 WeakPolarHBondContact CD-O 3.27Å; F62-G80 PolarHBondContact N-O 2.96Å; F62-G80 PolarHBondContact O-N 3.31Å
81A68.9Low83Confident31 Ų3142.7 Ų42.726%0.25622%0.22SC..SBendtrans-73.8-35.2176.500000110.6P61 E85 L149P61-A81 WeakPolarHBondContact CD-O 3.47Å; P61-A81 WeakPolarHBondContact CG-O 3.39Å; A81-E85 WeakPolarHBondContact CB-OE2 3.46Å; A81-E85 PolarHBondContact N-OE2 3Å; A81-L149 HydrophobicContact CB-CD1 4.03Å
82A74Confident83.7Confident34 Ų3444.1 Ų44.128%0.28122%0.218SC..SBendtrans-116.9159.1174.400000111.7E84 E85 V86A82-E84 VanDerWaalsContact CB-OE2 3.27Å; A82-E84 WeakPolarHBondContact CB-OE2 3.38Å; A82-E84 PolarHBondContact O-N 3.24Å; A82-E85 HydrophobicContact CB-CG 4.28Å; A82-E85 PolarHBondContact N-OE2 3.42Å; A82-E85 PolarHBondContact O-N 3.32Å; A82-V86 PolarHBondContact O-N 3.29Å
83I79.8Confident84.8Confident48 Ų4838.6 Ų38.625%0.24619%0.192CC..Hα-helixtrans-67.6-30.9-179.9-171.766.2000110.7L28 F62 V86 N87L28-I83 HydrophobicContact CD2-CD1 4.41Å; F62-I83 HydrophobicContact CD1-CD1 3.58Å; F62-I83 HydrophobicContact CD2-CB 4.48Å; F62-I83 HydrophobicContact CE1-CB 4.04Å; F62-I83 HydrophobicContact CE1-CD1 3.42Å; F62-I83 VanDerWaalsContact CE1-CD1 3.42Å; F62-I83 HydrophobicContact CE1-CG1 4.2Å; F62-I83 HydrophobicContact CE2-CB 3.92Å; F62-I83 VanDerWaalsContact CE2-N 3.33Å; F62-I83 HydrophobicContact CG-CD1 4.26Å; F62-I83 HydrophobicContact CZ-CB 3.68Å; F62-I83 HydrophobicContact CZ-CD1 4.02Å; F62-I83 HydrophobicContact CZ-CG1 4.33Å; I83-V86 HydrophobicContact CD1-CG1 3.98Å; I83-V86 WeakPolarHBondContact O-CG1 3.13Å; I83-N87 VanDerWaalsContact O-CB 3.27Å; I83-N87 WeakPolarHBondContact O-CB 3.34Å; I83-N87 PolarHBondContact O-N 3.36Å; I83-N87 PolarHBondContact O-ND2 3.27Å
84E81.3Confident85.4Confident122 Ų12239.6 Ų39.657%0.5720%0.198SC*.Hα-helixtrans-64-41.9177.4-6173.7-158.600111.1A82 K88A82-E84 VanDerWaalsContact CB-OE2 3.27Å; A82-E84 WeakPolarHBondContact CB-OE2 3.38Å; A82-E84 PolarHBondContact O-N 3.24Å; E84-K88 PolarHBondContact O-N 3.14Å
85E79.6Confident85.7Confident88 Ų8846.9 Ų46.941%0.41123%0.232SC..Hα-helixtrans-66.3-47.5179.2-65.5179.9161.700111.8A81 A82 N87 K88 H89A81-E85 WeakPolarHBondContact CB-OE2 3.46Å; A81-E85 PolarHBondContact N-OE2 3Å; A82-E85 HydrophobicContact CB-CG 4.28Å; A82-E85 PolarHBondContact N-OE2 3.42Å; A82-E85 PolarHBondContact O-N 3.32Å; E85-N87 VanDerWaalsContact C-N 3.27Å; E85-N87 PolarHBondContact O-N 2.88Å; E85-K88 WeakPolarHBondContact O-CB 3.13Å; E85-K88 PolarHBondContact O-N 3.05Å; E85-H89 PolarHBondContact O-CD2 3.16Å; E85-H89 VanDerWaalsContact O-CD2 3.31Å
86V86.2Confident85.9Confident0 Ų048.8 Ų48.80%024%0.244CC..Hα-helixtrans-69-31.4-177.990.50000111L28 F62 I64 A82 I83 K88 H89 W90L28-V86 HydrophobicContact CD1-CB 4.24Å; L28-V86 HydrophobicContact CD1-CG1 3.47Å; L28-V86 VanDerWaalsContact CD1-CG1 3.47Å; L28-V86 HydrophobicContact CD1-CG2 3.72Å; L28-V86 HydrophobicContact CD2-CG1 4.23Å; L28-V86 HydrophobicContact CG-CG1 4.46Å; F62-V86 HydrophobicContact CB-CB 3.84Å; F62-V86 HydrophobicContact CB-CG1 3.71Å; F62-V86 HydrophobicContact CB-CG2 3.87Å; F62-V86 HydrophobicContact CD1-CG1 4.5Å; F62-V86 HydrophobicContact CG-CG1 4.09Å; I64-V86 HydrophobicContact CD1-CG2 4.19Å; I64-V86 HydrophobicContact CG1-CG2 3.91Å; A82-V86 PolarHBondContact O-N 3.29Å; I83-V86 HydrophobicContact CD1-CG1 3.98Å; I83-V86 WeakPolarHBondContact O-CG1 3.13Å; V86-K88 VanDerWaalsContact C-N 3.35Å; V86-H89 PolarHBondContact O-N 3.13Å; V86-W90 PolarHBondContact O-N 2.76Å
87N89.4Confident86Confident30 Ų3048.6 Ų48.616%0.1624%0.243CC..Hα-helixtrans-65-37.1175.8-80.6-30000111.8I83 E85 H89 W90 D91I83-N87 VanDerWaalsContact O-CB 3.27Å; I83-N87 WeakPolarHBondContact O-CB 3.34Å; I83-N87 PolarHBondContact O-N 3.36Å; I83-N87 PolarHBondContact O-ND2 3.27Å; E85-N87 VanDerWaalsContact C-N 3.27Å; E85-N87 PolarHBondContact O-N 2.88Å; N87-H89 VanDerWaalsContact C-N 3.27Å; N87-H89 PolarHBondContact O-N 3.24Å; N87-W90 WeakPolarHBondContact O-CB 3.3Å; N87-W90 PolarHBondContact O-N 2.76Å; N87-W90 VanDerWaalsContact O-N 3.14Å; N87-D91 WeakPolarHBondContact O-CB 3.42Å; N87-D91 PolarHBondContact O-N 3.33Å
88K88.9Confident85.9Confident156 Ų15651 Ų5168%0.67826%0.255SS*.Hα-helixtrans-57.2-42.1173.5-68.9176-177.8178.30111.9E84 E85 V86 W92E84-K88 PolarHBondContact O-N 3.14Å; E85-K88 WeakPolarHBondContact O-CB 3.13Å; E85-K88 PolarHBondContact O-N 3.05Å; V86-K88 VanDerWaalsContact C-N 3.35Å; K88-W92 WeakPolarHBondContact O-CB 3.3Å; K88-W92 PolarHBondContact O-N 3.44Å
89H90.3Very high85.8Confident31 Ų3158.8 Ų58.814%0.14429%0.292CS..Hα-helixtrans-68.8-41.3176.2-63.3-59.4000112.1M1 W2 I64 A78 E85 V86 N87 W92 L93M1-H89 WeakPolarHBondContact CA-NE2 3.35Å; M1-H89 PolarHBondContact N-NE2 2.9Å; W2-H89 AromaticContact CD2-ND1 3.93Å; W2-H89 AromaticContact CE2-ND1 3.42Å; W2-H89 HydrophobicContact CH2-CB 4.15Å; W2-H89 HydrophobicContact CZ2-CB 4.31Å; W2-H89 AromaticContact CZ2-ND1 3.61Å; W2-H89 HydrophobicContact CZ3-CB 4.48Å; W2-H89 AromaticContact NE1-CE1 3.91Å; W2-H89 AromaticContact NE1-ND1 3.61Å; I64-H89 HydrophobicContact CD1-CB 3.86Å; A78-H89 HydrophobicContact CB-CB 4.1Å; E85-H89 PolarHBondContact O-CD2 3.16Å; E85-H89 VanDerWaalsContact O-CD2 3.31Å; V86-H89 PolarHBondContact O-N 3.13Å; N87-H89 VanDerWaalsContact C-N 3.27Å; N87-H89 PolarHBondContact O-N 3.24Å; H89-W92 PolarHBondContact O-N 2.96Å; H89-L93 WeakPolarHBondContact O-CG 3.42Å; H89-L93 PolarHBondContact O-N 2.87Å
90W92.8Very high85.8Confident18 Ų1861.1 Ų61.17%0.06831%0.308CS..Hα-helixtrans-58.9-50.6175.4178.7-90000111.9R21 F26 L28 I64 V86 N87 W92 L93 V94R21-W90 HydrophobicContact CB-CH2 4.08Å; R21-W90 HydrophobicContact CB-CZ2 3.8Å; F26-W90 HydrophobicContact CB-CE3 4.44Å; F26-W90 HydrophobicContact CB-CH2 4.03Å; F26-W90 HydrophobicContact CB-CZ3 3.65Å; L28-W90 HydrophobicContact CB-CD2 4.34Å; L28-W90 HydrophobicContact CB-CE3 3.66Å; L28-W90 HydrophobicContact CB-CH2 4.47Å; L28-W90 HydrophobicContact CB-CZ3 3.73Å; I64-W90 HydrophobicContact CD1-CB 3.93Å; I64-W90 HydrophobicContact CD1-CE3 4.29Å; I64-W90 HydrophobicContact CG1-CE3 4.46Å; I64-W90 HydrophobicContact CG2-CE3 4.24Å; I64-W90 HydrophobicContact CG2-CZ3 4.43Å; V86-W90 PolarHBondContact O-N 2.76Å; N87-W90 WeakPolarHBondContact O-CB 3.3Å; N87-W90 PolarHBondContact O-N 2.76Å; N87-W90 VanDerWaalsContact O-N 3.14Å; W90-W92 VanDerWaalsContact C-N 3.29Å; W90-W92 PolarHBondContact O-N 3.49Å; W90-L93 PolarHBondContact O-N 2.98Å; W90-L93 VanDerWaalsContact O-N 3.17Å; W90-V94 HydrophobicContact CZ2-CG2 4.5Å; W90-V94 WeakPolarHBondContact O-CG2 3.43Å; W90-V94 PolarHBondContact O-N 2.88Å
91D92.1Very high86.2Confident89 Ų8961.1 Ų61.148%0.47631%0.308SS..Hα-helixtrans-63.8-37.9-178.9-64.2-24.2000110.7N87 V94 H95N87-D91 WeakPolarHBondContact O-CB 3.42Å; N87-D91 PolarHBondContact O-N 3.33Å; D91-V94 PolarHBondContact O-N 2.96Å; D91-H95 VanDerWaalsContact O-CB 3.27Å; D91-H95 WeakPolarHBondContact O-CB 3.28Å; D91-H95 PolarHBondContact O-N 2.91Å
92W93.1Very high86.7Confident81 Ų8164.1 Ų64.131%0.30733%0.327SS..Hα-helixtrans-60.9-46.8173.1-169.498000112.1W2 K88 H89 W90 V94 H95 N96 L97 L121W2-W92 HydrophobicContact CH2-CD2 4.35Å; W2-W92 AromaticContact CH2-CE3 3.7Å; W2-W92 HydrophobicContact CH2-CE3 3.7Å; W2-W92 HydrophobicContact CH2-CZ3 4.36Å; W2-W92 HydrophobicContact CZ2-CB 4.34Å; W2-W92 AromaticContact CZ2-CD2 3.98Å; W2-W92 HydrophobicContact CZ2-CD2 3.98Å; W2-W92 AromaticContact CZ2-CE3 3.75Å; W2-W92 HydrophobicContact CZ2-CE3 3.75Å; W2-W92 HydrophobicContact CZ2-CG 4.23Å; W2-W92 HydrophobicContact CZ2-CZ3 4.48Å; K88-W92 WeakPolarHBondContact O-CB 3.3Å; K88-W92 PolarHBondContact O-N 3.44Å; H89-W92 PolarHBondContact O-N 2.96Å; W90-W92 VanDerWaalsContact C-N 3.29Å; W90-W92 PolarHBondContact O-N 3.49Å; W92-V94 VanDerWaalsContact C-N 3.34Å; W92-V94 PolarHBondContact O-N 2.8Å; W92-H95 PolarHBondContact O-N 3.41Å; W92-N96 HydrophobicContact CD2-CB 4.26Å; W92-N96 HydrophobicContact CE3-CB 4.34Å; W92-N96 HydrophobicContact CH2-CB 4.04Å; W92-N96 HydrophobicContact CZ2-CB 3.98Å; W92-N96 HydrophobicContact CZ3-CB 4.23Å; W92-N96 PolarHBondContact NE1-ND2 3.49Å; W92-N96 VanDerWaalsContact O-CB 3.3Å; W92-N96 WeakPolarHBondContact O-CB 3.39Å; W92-N96 PolarHBondContact O-N 2.95Å; W92-N96 PolarHBondContact O-ND2 2.94Å; W92-L97 HydrophobicContact CH2-CD2 4.26Å; W92-L97 HydrophobicContact CH2-CG 4.28Å; W92-L97 HydrophobicContact CZ3-CD1 3.83Å; W92-L97 HydrophobicContact CZ3-CD2 4.24Å; W92-L97 HydrophobicContact CZ3-CG 3.77Å; W92-L121 HydrophobicContact CD2-CD1 4.4Å; W92-L121 HydrophobicContact CE3-CD1 3.97Å; W92-L121 HydrophobicContact CH2-CD1 3.47Å; W92-L121 VanDerWaalsContact CH2-CD1 3.47Å; W92-L121 HydrophobicContact CH2-CD2 3.96Å; W92-L121 HydrophobicContact CH2-CG 4.11Å; W92-L121 HydrophobicContact CZ2-CD1 3.91Å; W92-L121 HydrophobicContact CZ2-CD2 3.64Å; W92-L121 HydrophobicContact CZ2-CG 4.3Å; W92-L121 HydrophobicContact CZ3-CD1 3.49Å; W92-L121 VanDerWaalsContact CZ3-CD1 3.49Å
93L91.9Very high87.2Confident0 Ų068 Ų680%035%0.347CS..Hα-helixtrans-61.1-43.9177.8-70.1169.1000111.5W2 F26 I64 I77 H89 W90 L97 L98W2-L93 HydrophobicContact CH2-CD1 4.32Å; W2-L93 HydrophobicContact CH2-CD2 3.69Å; W2-L93 HydrophobicContact CH2-CG 3.71Å; W2-L93 HydrophobicContact CZ3-CD1 4.16Å; W2-L93 HydrophobicContact CZ3-CD2 3.73Å; W2-L93 HydrophobicContact CZ3-CG 3.96Å; F26-L93 HydrophobicContact CD1-CD1 3.93Å; F26-L93 HydrophobicContact CD2-CB 4.35Å; F26-L93 HydrophobicContact CE1-CD1 3.99Å; F26-L93 HydrophobicContact CE1-CD2 4.02Å; F26-L93 HydrophobicContact CE1-CG 4.41Å; F26-L93 HydrophobicContact CE2-CB 4.08Å; F26-L93 HydrophobicContact CG-CD1 4.29Å; F26-L93 HydrophobicContact CZ-CB 4.2Å; F26-L93 HydrophobicContact CZ-CD1 4.42Å; F26-L93 HydrophobicContact CZ-CD2 3.96Å; F26-L93 HydrophobicContact CZ-CG 4.4Å; I64-L93 HydrophobicContact CD1-CD1 4.14Å; I64-L93 HydrophobicContact CG2-CD1 3.76Å; I77-L93 HydrophobicContact CD1-CD1 3.71Å; I77-L93 HydrophobicContact CD1-CD2 4.18Å; H89-L93 WeakPolarHBondContact O-CG 3.42Å; H89-L93 PolarHBondContact O-N 2.87Å; W90-L93 PolarHBondContact O-N 2.98Å; W90-L93 VanDerWaalsContact O-N 3.17Å; L93-L97 HydrophobicContact CD2-CD1 3.72Å; L93-L97 WeakPolarHBondContact O-CA 3.47Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 PolarHBondContact O-N 3.18Å; L93-L98 PolarHBondContact O-N 3.39Å; L93-L98 VanDerWaalsContact O-N 3.17Å
94V89.6Confident87.4Confident51 Ų5169.2 Ų69.231%0.30935%0.351SS..Hα-helixtrans-65.6-46.8-179.2171.60000110.9W90 D91 W92 L98W90-V94 HydrophobicContact CZ2-CG2 4.5Å; W90-V94 WeakPolarHBondContact O-CG2 3.43Å; W90-V94 PolarHBondContact O-N 2.88Å; D91-V94 PolarHBondContact O-N 2.96Å; W92-V94 VanDerWaalsContact C-N 3.34Å; W92-V94 PolarHBondContact O-N 2.8Å; V94-L98 HydrophobicContact CG1-CD2 4.05Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å
95H90.7Very high87.4Confident155 Ų15572.9 Ų72.972%0.71837%0.368SS*.Hα-helixtrans-71.9-41-176.2-166.877.9000112.7D91 W92D91-H95 VanDerWaalsContact O-CB 3.27Å; D91-H95 WeakPolarHBondContact O-CB 3.28Å; D91-H95 PolarHBondContact O-N 2.91Å; W92-H95 PolarHBondContact O-N 3.41Å
96N90Very high87.6Confident74 Ų7471.9 Ų71.940%0.39637%0.365SS..Hα-helixtrans-97.6-29.6-169.8-63.8-84.1000114W92W92-N96 HydrophobicContact CD2-CB 4.26Å; W92-N96 HydrophobicContact CE3-CB 4.34Å; W92-N96 HydrophobicContact CH2-CB 4.04Å; W92-N96 HydrophobicContact CZ2-CB 3.98Å; W92-N96 HydrophobicContact CZ3-CB 4.23Å; W92-N96 PolarHBondContact NE1-ND2 3.49Å; W92-N96 VanDerWaalsContact O-CB 3.3Å; W92-N96 WeakPolarHBondContact O-CB 3.39Å; W92-N96 PolarHBondContact O-N 2.95Å; W92-N96 PolarHBondContact O-ND2 2.94Å
97L90.3Very high87.4Confident6 Ų676.5 Ų76.53%0.03139%0.385CS..THydrogen-bonded Turntrans-111.3-35.8-173.5-58.3-173.8000113.4W92 L93 Q99 S100 L101 F113 V114 K117W92-L97 HydrophobicContact CH2-CD2 4.26Å; W92-L97 HydrophobicContact CH2-CG 4.28Å; W92-L97 HydrophobicContact CZ3-CD1 3.83Å; W92-L97 HydrophobicContact CZ3-CD2 4.24Å; W92-L97 HydrophobicContact CZ3-CG 3.77Å; L93-L97 HydrophobicContact CD2-CD1 3.72Å; L93-L97 WeakPolarHBondContact O-CA 3.47Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 PolarHBondContact O-N 3.18Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 2.96Å; L97-S100 WeakPolarHBondContact O-CB 3.09Å; L97-S100 PolarHBondContact O-N 2.86Å; L97-L101 HydrophobicContact CB-CD1 4.19Å; L97-L101 HydrophobicContact CB-CG 4.44Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 3.3Å; L97-F113 HydrophobicContact CD2-CE1 4.02Å; L97-V114 HydrophobicContact CD1-CG1 4.35Å; L97-V114 HydrophobicContact CD1-CG2 4.43Å; L97-K117 HydrophobicContact CD1-CB 4.38Å; L97-K117 HydrophobicContact CD2-CB 4.31Å; L97-K117 HydrophobicContact CD2-CG 4.08Å
98L86.4Confident87.1Confident51 Ų5181.4 Ų81.427%0.26741%0.407SS..Hα-helixtrans-57.1-41.9-167.6-165.769.5000114F25 L93 V94 S100 L101 S102F25-L98 HydrophobicContact CD2-CD1 4.39Å; L93-L98 PolarHBondContact O-N 3.39Å; L93-L98 VanDerWaalsContact O-N 3.17Å; V94-L98 HydrophobicContact CG1-CD2 4.05Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.31Å; L98-L101 PolarHBondContact O-N 3.4Å; L98-S102 PolarHBondContact O-N 2.94Å
99Q83.8Confident86.9Confident163 Ų16378 Ų7876%0.76240%0.397SS*.Hα-helixtrans-68.3-29.5177-70.6-173.9-7.700113.5L97 S102L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 2.96Å; Q99-S102 PolarHBondContact O-OG 3.39Å
100S85.1Confident86.7Confident54 Ų5476.6 Ų76.638%0.37839%0.39SS..Hα-helixtrans-77.9-31.9176.8-61.80000111.2L97 L98 S102 V103 F104L97-S100 WeakPolarHBondContact O-CB 3.09Å; L97-S100 PolarHBondContact O-N 2.86Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.31Å; S100-S102 VanDerWaalsContact C-N 3.31Å; S100-S102 PolarHBondContact O-N 3.28Å; S100-V103 WeakPolarHBondContact O-CB 3.3Å; S100-V103 PolarHBondContact O-N 3.4Å; S100-F104 VanDerWaalsContact O-CD2 3.24Å; S100-F104 WeakPolarHBondContact O-CD2 3.38Å; S100-F104 WeakPolarHBondContact O-CE2 3.49Å
101L85.3Confident86.4Confident1 Ų176 Ų761%0.00539%0.389CS..Hα-helixtrans-68.6-28.8-179.2-65.6173000113F25 F26 L97 L98 V103 F104 A110 F113 V114F25-L101 HydrophobicContact CB-CD1 4.09Å; F25-L101 HydrophobicContact CD2-CB 3.93Å; F25-L101 HydrophobicContact CD2-CD1 4.11Å; F25-L101 HydrophobicContact CE2-CB 3.75Å; F25-L101 HydrophobicContact CG-CB 4.41Å; F25-L101 HydrophobicContact CG-CD1 4.02Å; F25-L101 HydrophobicContact CZ-CB 4.06Å; F26-L101 HydrophobicContact CE2-CD1 3.66Å; F26-L101 HydrophobicContact CZ-CD1 3.69Å; L97-L101 HydrophobicContact CB-CD1 4.19Å; L97-L101 HydrophobicContact CB-CG 4.44Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 3.3Å; L98-L101 PolarHBondContact O-N 3.4Å; L101-V103 PolarHBondContact O-N 3.34Å; L101-F104 PolarHBondContact O-N 2.93Å; L101-A110 HydrophobicContact CD2-CB 4.14Å; L101-F113 HydrophobicContact CD2-CD1 3.94Å; L101-V114 HydrophobicContact CD1-CG2 3.78Å; L101-V114 HydrophobicContact CD2-CG2 3.42Å; L101-V114 VanDerWaalsContact CD2-CG2 3.42Å; L101-V114 HydrophobicContact CG-CG2 4.21Å
102S80.2Confident86.1Confident94 Ų9475.1 Ų75.166%0.65739%0.39SS*.THydrogen-bonded Turntrans-71.6-11.8176.255.60000114.1L98 Q99 S100L98-S102 PolarHBondContact O-N 2.94Å; Q99-S102 PolarHBondContact O-OG 3.39Å; S100-S102 VanDerWaalsContact C-N 3.31Å; S100-S102 PolarHBondContact O-N 3.28Å
103V84.2Confident86Confident116 Ų11674.3 Ų74.370%0.70339%0.389SS*.THydrogen-bonded Turntrans-83.4-21.2177.7-1750000111.8S100 L101 E105S100-V103 WeakPolarHBondContact O-CB 3.3Å; S100-V103 PolarHBondContact O-N 3.4Å; L101-V103 PolarHBondContact O-N 3.34Å; V103-E105 PolarHBondContact O-N 3.05Å
104F84.3Confident85.9Confident74 Ų7474.3 Ų74.333%0.32539%0.389SS..  trans-77.1120.9-178.6-71.1-94.4000111.2S100 L101 D109 A110 F113S100-F104 VanDerWaalsContact O-CD2 3.24Å; S100-F104 WeakPolarHBondContact O-CD2 3.38Å; S100-F104 WeakPolarHBondContact O-CE2 3.49Å; L101-F104 PolarHBondContact O-N 2.93Å; F104-D109 HydrophobicContact CD1-CB 4.09Å; F104-A110 HydrophobicContact CB-CB 3.76Å; F104-A110 HydrophobicContact CD2-CB 4.23Å; F104-A110 HydrophobicContact CG-CB 3.94Å; F104-F113 HydrophobicContact CE1-CB 4.23Å; F104-F113 HydrophobicContact CE2-CB 4.37Å; F104-F113 HydrophobicContact CE2-CD1 4.05Å; F104-F113 HydrophobicContact CE2-CE1 4.49Å; F104-F113 HydrophobicContact CE2-CG 4.11Å; F104-F113 HydrophobicContact CZ-CB 3.78Å; F104-F113 HydrophobicContact CZ-CD1 4.1Å; F104-F113 AromaticContact CZ-CD2 3.95Å; F104-F113 HydrophobicContact CZ-CD2 3.95Å; F104-F113 AromaticContact CZ-CG 3.68Å; F104-F113 HydrophobicContact CZ-CG 3.68Å
105E80.9Confident85.8Confident199 Ų19974.2 Ų74.293%0.9338%0.384SS*.SBendtrans-71-37.5174.4-62.8-175.5170.800111.8V103V103-E105 PolarHBondContact O-N 3.05Å
106N84.5Confident85.6Confident66 Ų6669 Ų6935%0.35337%0.372SS..SBendtrans-95.6121.1175.1-177.62.8000111.1E108 D109 A110N106-E108 VanDerWaalsContact C-N 3.3Å; N106-E108 PolarHBondContact O-N 2.96Å; N106-E108 PolarHBondContact OD1-N 3Å; N106-D109 HydrophobicContact CB-CB 4.17Å; N106-D109 VanDerWaalsContact CB-OD2 3.24Å; N106-D109 WeakPolarHBondContact CB-OD2 3.49Å; N106-D109 PolarHBondContact ND2-OD2 3.07Å; N106-D109 PolarHBondContact O-N 3.38Å; N106-A110 PolarHBondContact O-N 2.78Å; N106-A110 VanDerWaalsContact O-N 3.13Å
107K81.6Confident85.6Confident97 Ų9770.2 Ų70.242%0.42237%0.373SS..Hα-helixtrans-72.5-22.1-177.1-56.2-168.7-179.3-175.50113.3V68 P69 A111V68-K107 HydrophobicContact CG1-CB 3.89Å; P69-K107 HydrophobicContact CB-CD 3.96Å; P69-K107 HydrophobicContact CG-CD 3.99Å; K107-A111 PolarHBondContact O-N 3.23Å; K107-A111 VanDerWaalsContact O-N 3.08Å
108E82.3Confident85.5Confident133 Ų13369.9 Ų69.962%0.62137%0.372SS*.Hα-helixtrans-74.4-35.6174.4-68167.9172.300111.3N106 A111 S112N106-E108 VanDerWaalsContact C-N 3.3Å; N106-E108 PolarHBondContact O-N 2.96Å; N106-E108 PolarHBondContact OD1-N 3Å; E108-A111 PolarHBondContact O-N 3.15Å; E108-S112 WeakPolarHBondContact O-CB 3.48Å; E108-S112 PolarHBondContact O-N 2.93Å; E108-S112 PolarHBondContact O-OG 3.14Å
109D85.6Confident85.3Confident86 Ų8673 Ų7346%0.4638%0.383SS..Hα-helixtrans-68.3-40.4173.1-65.1-29.1000110.7F104 N106 A111 S112 F113F104-D109 HydrophobicContact CD1-CB 4.09Å; N106-D109 HydrophobicContact CB-CB 4.17Å; N106-D109 VanDerWaalsContact CB-OD2 3.24Å; N106-D109 WeakPolarHBondContact CB-OD2 3.49Å; N106-D109 PolarHBondContact ND2-OD2 3.07Å; N106-D109 PolarHBondContact O-N 3.38Å; D109-A111 VanDerWaalsContact C-N 3.34Å; D109-A111 PolarHBondContact O-N 2.99Å; D109-S112 PolarHBondContact O-N 2.86Å; D109-F113 WeakPolarHBondContact O-CB 3.35Å; D109-F113 PolarHBondContact O-N 2.82Å
110A86Confident85.2Confident1 Ų167.1 Ų67.11%0.00837%0.366CS..Hα-helixtrans-57.5-45.9171.800000111.6F25 L101 F104 N106 F113 V114F25-A110 HydrophobicContact CE1-CB 3.99Å; L101-A110 HydrophobicContact CD2-CB 4.14Å; F104-A110 HydrophobicContact CB-CB 3.76Å; F104-A110 HydrophobicContact CD2-CB 4.23Å; F104-A110 HydrophobicContact CG-CB 3.94Å; N106-A110 PolarHBondContact O-N 2.78Å; N106-A110 VanDerWaalsContact O-N 3.13Å; A110-F113 WeakPolarHBondContact O-CB 3.43Å; A110-F113 PolarHBondContact O-N 2.68Å; A110-V114 WeakPolarHBondContact O-CG2 3.19Å; A110-V114 PolarHBondContact O-N 3.19Å
111A85.8Confident85.2Confident4 Ų465.8 Ų65.83%0.03336%0.355CS..Hα-helixtrans-65.1-40.5176.700000112.5L66 V68 K107 E108 D109 F113 V114 K115L66-A111 HydrophobicContact CD2-CB 4.12Å; V68-A111 HydrophobicContact CG2-CB 3.49Å; V68-A111 VanDerWaalsContact CG2-CB 3.49Å; K107-A111 PolarHBondContact O-N 3.23Å; K107-A111 VanDerWaalsContact O-N 3.08Å; E108-A111 PolarHBondContact O-N 3.15Å; D109-A111 VanDerWaalsContact C-N 3.34Å; D109-A111 PolarHBondContact O-N 2.99Å; A111-F113 VanDerWaalsContact C-N 3.33Å; A111-F113 PolarHBondContact O-N 3.36Å; A111-V114 PolarHBondContact O-N 2.83Å; A111-K115 VanDerWaalsContact O-CG 3.27Å; A111-K115 WeakPolarHBondContact O-CG 3.39Å; A111-K115 PolarHBondContact O-N 2.85Å
112S87.6Confident84.7Confident72 Ų7266 Ų6650%0.50336%0.356SS..Hα-helixtrans-63.4-39.4176.1-61.80000111.8E108 D109 K115 G116E108-S112 WeakPolarHBondContact O-CB 3.48Å; E108-S112 PolarHBondContact O-N 2.93Å; E108-S112 PolarHBondContact O-OG 3.14Å; D109-S112 PolarHBondContact O-N 2.86Å; S112-K115 PolarHBondContact O-N 2.65Å; S112-G116 PolarHBondContact O-N 3.01Å
113F90Very high84.3Confident64 Ų6464.2 Ų64.228%0.28135%0.347SS..Hα-helixtrans-61.1-47.3173174.1-99.5000112.1L97 L101 F104 D109 A110 A111 K115 G116 K117L97-F113 HydrophobicContact CD2-CE1 4.02Å; L101-F113 HydrophobicContact CD2-CD1 3.94Å; F104-F113 HydrophobicContact CE1-CB 4.23Å; F104-F113 HydrophobicContact CE2-CB 4.37Å; F104-F113 HydrophobicContact CE2-CD1 4.05Å; F104-F113 HydrophobicContact CE2-CE1 4.49Å; F104-F113 HydrophobicContact CE2-CG 4.11Å; F104-F113 HydrophobicContact CZ-CB 3.78Å; F104-F113 HydrophobicContact CZ-CD1 4.1Å; F104-F113 AromaticContact CZ-CD2 3.95Å; F104-F113 HydrophobicContact CZ-CD2 3.95Å; F104-F113 AromaticContact CZ-CG 3.68Å; F104-F113 HydrophobicContact CZ-CG 3.68Å; D109-F113 WeakPolarHBondContact O-CB 3.35Å; D109-F113 PolarHBondContact O-N 2.82Å; A110-F113 WeakPolarHBondContact O-CB 3.43Å; A110-F113 PolarHBondContact O-N 2.68Å; A111-F113 VanDerWaalsContact C-N 3.33Å; A111-F113 PolarHBondContact O-N 3.36Å; F113-K115 PolarHBondContact O-N 2.98Å; F113-G116 PolarHBondContact O-N 3.33Å; F113-K117 HydrophobicContact CD1-CG 4.39Å; F113-K117 HydrophobicContact CD2-CG 4.49Å; F113-K117 HydrophobicContact CE1-CG 4Å; F113-K117 HydrophobicContact CE2-CG 4.11Å; F113-K117 HydrophobicContact CZ-CD 4.31Å; F113-K117 HydrophobicContact CZ-CG 3.85Å; F113-K117 WeakPolarHBondContact O-CG 3.3Å; F113-K117 PolarHBondContact O-N 2.88Å
114V89.9Confident83.8Confident0 Ų065.7 Ų65.70%035%0.346CS..Hα-helixtrans-60-47.6175.6176.90000110.8F26 L66 I77 L97 L101 A110 A111 G116 K117 V118F26-V114 HydrophobicContact CE1-CG1 3.91Å; F26-V114 HydrophobicContact CE1-CG2 4.46Å; F26-V114 HydrophobicContact CZ-CG1 4.19Å; F26-V114 HydrophobicContact CZ-CG2 4.1Å; L66-V114 HydrophobicContact CD1-CB 4.12Å; L66-V114 HydrophobicContact CD1-CG1 4.06Å; L66-V114 HydrophobicContact CD1-CG2 4.08Å; L66-V114 HydrophobicContact CD2-CB 3.89Å; L66-V114 HydrophobicContact CD2-CG1 3.89Å; L66-V114 HydrophobicContact CG-CG1 4.48Å; I77-V114 HydrophobicContact CD1-CG1 4.33Å; L97-V114 HydrophobicContact CD1-CG1 4.35Å; L97-V114 HydrophobicContact CD1-CG2 4.43Å; L101-V114 HydrophobicContact CD1-CG2 3.78Å; L101-V114 HydrophobicContact CD2-CG2 3.42Å; L101-V114 VanDerWaalsContact CD2-CG2 3.42Å; L101-V114 HydrophobicContact CG-CG2 4.21Å; A110-V114 WeakPolarHBondContact O-CG2 3.19Å; A110-V114 PolarHBondContact O-N 3.19Å; A111-V114 PolarHBondContact O-N 2.83Å; V114-G116 VanDerWaalsContact C-N 3.28Å; V114-G116 PolarHBondContact O-N 3.29Å; V114-K117 PolarHBondContact O-N 3.4Å; V114-K117 VanDerWaalsContact O-N 3.14Å; V114-V118 HydrophobicContact CG1-CG2 4.07Å; V114-V118 WeakPolarHBondContact O-CG2 3.24Å; V114-V118 PolarHBondContact O-N 2.87Å
115K88.1Confident83.1Confident49 Ų4964.7 Ų64.721%0.21334%0.342CS..Hα-helixtrans-57.1-43.6177.8-70.1176.9-175.5176.60111.2P5 L66 W75 A111 S112 F113 K119P5-K115 HydrophobicContact CB-CB 4.47Å; P5-K115 HydrophobicContact CB-CD 4.23Å; P5-K115 HydrophobicContact CB-CG 3.78Å; P5-K115 HydrophobicContact CG-CB 3.96Å; P5-K115 HydrophobicContact CG-CG 3.76Å; L66-K115 HydrophobicContact CD2-CG 4.01Å; W75-K115 VanDerWaalsContact CD2-CE 3.42Å; A111-K115 VanDerWaalsContact O-CG 3.27Å; A111-K115 WeakPolarHBondContact O-CG 3.39Å; A111-K115 PolarHBondContact O-N 2.85Å; S112-K115 PolarHBondContact O-N 2.65Å; F113-K115 PolarHBondContact O-N 2.98Å; K115-K119 WeakPolarHBondContact O-CB 3.27Å; K115-K119 VanDerWaalsContact O-CG 3.3Å; K115-K119 WeakPolarHBondContact O-CG 3.18Å; K115-K119 PolarHBondContact O-N 3.02Å
116G85.4Confident82.2Confident44 Ų4456 Ų5645%0.45430%0.303SS..Hα-helixtrans-62.8-42.5175.200000113.2S112 F113 V114 K119 G120S112-G116 PolarHBondContact O-N 3.01Å; F113-G116 PolarHBondContact O-N 3.33Å; V114-G116 VanDerWaalsContact C-N 3.28Å; V114-G116 PolarHBondContact O-N 3.29Å; G116-K119 PolarHBondContact O-N 3.25Å; G116-G120 PolarHBondContact O-N 2.87Å
117K90.9Very high80.8Confident100 Ų10063.9 Ų63.944%0.43533%0.328SS..Hα-helixtrans-67.1-43.4177-74.6-67.6-176-179.80112.7L97 F113 V114 K119 G120 L121L97-K117 HydrophobicContact CD1-CB 4.38Å; L97-K117 HydrophobicContact CD2-CB 4.31Å; L97-K117 HydrophobicContact CD2-CG 4.08Å; F113-K117 HydrophobicContact CD1-CG 4.39Å; F113-K117 HydrophobicContact CD2-CG 4.49Å; F113-K117 HydrophobicContact CE1-CG 4Å; F113-K117 HydrophobicContact CE2-CG 4.11Å; F113-K117 HydrophobicContact CZ-CD 4.31Å; F113-K117 HydrophobicContact CZ-CG 3.85Å; F113-K117 WeakPolarHBondContact O-CG 3.3Å; F113-K117 PolarHBondContact O-N 2.88Å; V114-K117 PolarHBondContact O-N 3.4Å; V114-K117 VanDerWaalsContact O-N 3.14Å; K117-K119 VanDerWaalsContact C-N 3.34Å; K117-G120 WeakPolarHBondContact O-CA 3.36Å; K117-G120 PolarHBondContact O-N 2.68Å; K117-G120 VanDerWaalsContact O-N 3.1Å; K117-L121 WeakPolarHBondContact O-CG 3.18Å; K117-L121 PolarHBondContact O-N 3.42Å
118V87.8Confident79.5Confident0 Ų063 Ų630%035%0.345CS..Hα-helixtrans-61.9-43.8175.6172.70000110.4W2 L3 I77 V114 G120 L121 I122W2-V118 HydrophobicContact CB-CG1 4.47Å; W2-V118 HydrophobicContact CE3-CG1 4.19Å; W2-V118 HydrophobicContact CE3-CG2 4.24Å; W2-V118 HydrophobicContact CZ3-CG2 4.3Å; L3-V118 WeakPolarHBondContact O-CG1 3.29Å; I77-V118 HydrophobicContact CB-CG1 4.44Å; I77-V118 HydrophobicContact CB-CG2 4.27Å; I77-V118 HydrophobicContact CD1-CG2 4.49Å; V114-V118 HydrophobicContact CG1-CG2 4.07Å; V114-V118 WeakPolarHBondContact O-CG2 3.24Å; V114-V118 PolarHBondContact O-N 2.87Å; V118-G120 VanDerWaalsContact C-N 3.28Å; V118-G120 PolarHBondContact O-N 3.47Å; V118-L121 PolarHBondContact O-N 3.26Å; V118-I122 HydrophobicContact CG1-CD1 4.03Å; V118-I122 VanDerWaalsContact O-CG1 3.3Å; V118-I122 WeakPolarHBondContact O-CG1 3.37Å; V118-I122 PolarHBondContact O-N 2.92Å
119K83Confident78.6Confident117 Ų11763.3 Ų63.351%0.50934%0.341SS..Hα-helixtrans-59.1-39.1171.9-75.8-178.5176.7-167.30112.5N4 K115 G116 K117 I122 A123N4-K119 VanDerWaalsContact OD1-CE 3.28Å; N4-K119 WeakPolarHBondContact OD1-CE 3.37Å; N4-K119 WeakPolarHBondContact OD1-CG 3.27Å; K115-K119 WeakPolarHBondContact O-CB 3.27Å; K115-K119 VanDerWaalsContact O-CG 3.3Å; K115-K119 WeakPolarHBondContact O-CG 3.18Å; K115-K119 PolarHBondContact O-N 3.02Å; G116-K119 PolarHBondContact O-N 3.25Å; K117-K119 VanDerWaalsContact C-N 3.34Å; K119-I122 PolarHBondContact O-N 3.27Å; K119-A123 WeakPolarHBondContact O-CB 3.49Å; K119-A123 PolarHBondContact O-N 2.9Å
120G81.9Confident77.9Confident39 Ų3961 Ų6140%0.40233%0.328SS..Hα-helixtrans-61.2-44.717300000113.2G116 K117 V118 I122 A123 E124G116-G120 PolarHBondContact O-N 2.87Å; K117-G120 WeakPolarHBondContact O-CA 3.36Å; K117-G120 PolarHBondContact O-N 2.68Å; K117-G120 VanDerWaalsContact O-N 3.1Å; V118-G120 VanDerWaalsContact C-N 3.28Å; V118-G120 PolarHBondContact O-N 3.47Å; G120-I122 VanDerWaalsContact C-N 3.34Å; G120-I122 PolarHBondContact O-N 3.31Å; G120-A123 PolarHBondContact O-N 3.48Å; G120-E124 PolarHBondContact O-N 3.37Å
121L84.1Confident77.2Confident26 Ų2661.1 Ų61.114%0.13633%0.328CS..Hα-helixtrans-64.4-38.8176.6-66.7167.9000112.2W2 W92 K117 V118 E124 E125W2-L121 HydrophobicContact CD2-CD1 4.04Å; W2-L121 HydrophobicContact CE3-CD1 4.46Å; W2-L121 HydrophobicContact CG-CB 4.34Å; W2-L121 HydrophobicContact CH2-CD1 4.13Å; W2-L121 HydrophobicContact CZ2-CD1 3.66Å; W92-L121 HydrophobicContact CD2-CD1 4.4Å; W92-L121 HydrophobicContact CE3-CD1 3.97Å; W92-L121 HydrophobicContact CH2-CD1 3.47Å; W92-L121 VanDerWaalsContact CH2-CD1 3.47Å; W92-L121 HydrophobicContact CH2-CD2 3.96Å; W92-L121 HydrophobicContact CH2-CG 4.11Å; W92-L121 HydrophobicContact CZ2-CD1 3.91Å; W92-L121 HydrophobicContact CZ2-CD2 3.64Å; W92-L121 HydrophobicContact CZ2-CG 4.3Å; W92-L121 HydrophobicContact CZ3-CD1 3.49Å; W92-L121 VanDerWaalsContact CZ3-CD1 3.49Å; K117-L121 WeakPolarHBondContact O-CG 3.18Å; K117-L121 PolarHBondContact O-N 3.42Å; V118-L121 PolarHBondContact O-N 3.26Å; L121-E124 PolarHBondContact O-N 3.37Å; L121-E125 WeakPolarHBondContact O-CB 3.47Å; L121-E125 PolarHBondContact O-N 3.5Å
122I75.9Confident76.4Confident6 Ų663.1 Ų63.13%0.03135%0.345CS..Hα-helixtrans-62.7-46.5174.3-65.9164.8000109.7W2 V118 K119 G120 E124 E125 V126W2-I122 HydrophobicContact CB-CD1 4.33Å; W2-I122 HydrophobicContact CB-CG1 3.69Å; V118-I122 HydrophobicContact CG1-CD1 4.03Å; V118-I122 VanDerWaalsContact O-CG1 3.3Å; V118-I122 WeakPolarHBondContact O-CG1 3.37Å; V118-I122 PolarHBondContact O-N 2.92Å; K119-I122 PolarHBondContact O-N 3.27Å; G120-I122 VanDerWaalsContact C-N 3.34Å; G120-I122 PolarHBondContact O-N 3.31Å; I122-E124 VanDerWaalsContact C-N 3.31Å; I122-E124 PolarHBondContact O-N 2.95Å; I122-E125 PolarHBondContact O-N 3.44Å; I122-V126 HydrophobicContact CG2-CG2 4.25Å; I122-V126 WeakPolarHBondContact O-CB 3.46Å; I122-V126 WeakPolarHBondContact O-CG2 3.37Å; I122-V126 PolarHBondContact O-N 3.18Å
123A71Confident75.6Confident56 Ų5666.7 Ų66.746%0.46335%0.353SS..Hα-helixtrans-62.7-36.4178.400000112.8K119 G120 R127K119-A123 WeakPolarHBondContact O-CB 3.49Å; K119-A123 PolarHBondContact O-N 2.9Å; G120-A123 PolarHBondContact O-N 3.48Å; A123-R127 WeakPolarHBondContact O-CB 3.47Å; A123-R127 PolarHBondContact O-N 2.71Å
124E74.3Confident75Confident146 Ų14665.4 Ų65.468%0.68235%0.348SS*.Hα-helixtrans-69.2-40.9175.1-168.3173-170.500112.1G120 L121 I122 V126G120-E124 PolarHBondContact O-N 3.37Å; L121-E124 PolarHBondContact O-N 3.37Å; I122-E124 VanDerWaalsContact C-N 3.31Å; I122-E124 PolarHBondContact O-N 2.95Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 3.41Å
125E68.9Low74.2Confident53 Ų5375 Ų7525%0.24839%0.393CS..Hα-helixtrans-66.4-32.6174.9-170.1174.8-154.300112.3L121 I122 R129 R141L121-E125 WeakPolarHBondContact O-CB 3.47Å; L121-E125 PolarHBondContact O-N 3.5Å; I122-E125 PolarHBondContact O-N 3.44Å; E125-R129 WeakPolarHBondContact O-CG 3.29Å; E125-R141 IonicContact OE2-NH1 3.4Å; E125-R141 PolarHBondContact OE2-NH1 3.31Å
126V62.7Low73.7Confident18 Ų1875.4 Ų75.411%0.10940%0.398CS..Hα-helixtrans-77.2-39.2179169.80000111.8I122 E124 G128 R129 A132 P137I122-V126 HydrophobicContact CG2-CG2 4.25Å; I122-V126 WeakPolarHBondContact O-CB 3.46Å; I122-V126 WeakPolarHBondContact O-CG2 3.37Å; I122-V126 PolarHBondContact O-N 3.18Å; E124-V126 VanDerWaalsContact C-N 3.31Å; E124-V126 PolarHBondContact O-N 3.41Å; V126-G128 PolarHBondContact O-N 3.46Å; V126-R129 PolarHBondContact O-N 3.15Å; V126-A132 HydrophobicContact CG1-CB 3.66Å; V126-A132 WeakPolarHBondContact O-CB 3.38Å; V126-P137 HydrophobicContact CG1-CB 4.16Å
127R54.8Low73.3Confident231 Ų23175.1 Ų75.187%0.87239%0.388SS*.THydrogen-bonded Turntrans-53.7-18.2-172.8-114.1-177.7-174.3-176.52.1116.2A123A123-R127 WeakPolarHBondContact O-CB 3.47Å; A123-R127 PolarHBondContact O-N 2.71Å
128G53.3Low72.4Confident77 Ų7774.2 Ų74.279%0.79439%0.385SS*.THydrogen-bonded Turntrans-116.63.5177.700000115.8V126V126-G128 PolarHBondContact O-N 3.46Å
129R64.8Low71.8Confident141 Ų14179.9 Ų79.953%0.53241%0.41SS..SBendtrans-118.1158.8-171.7-67.8-169.7-179.5-167.25.5112.7E125 V126 A131 A132E125-R129 WeakPolarHBondContact O-CG 3.29Å; V126-R129 PolarHBondContact O-N 3.15Å; R129-A131 PolarHBondContact O-N 3.45Å; R129-A132 WeakPolarHBondContact O-CB 3.24Å; R129-A132 PolarHBondContact O-N 3.37Å
130Q69.9Low71.7Confident38 Ų3874.7 Ų74.718%0.17839%0.387CS..G310 helixtrans-47.2-38.2-178.5-177.8175.93.100113.9A132 Q133 F140 L159Q130-A132 PolarHBondContact O-N 3.26Å; Q130-A132 VanDerWaalsContact O-N 3.14Å; Q130-Q133 PolarHBondContact O-N 2.97Å; Q130-F140 HydrophobicContact CG-CE1 4.16Å; Q130-L159 PolarHBondContact NE2-O 3.37Å
131A71Confident71.6Confident2 Ų273.6 Ų73.62%0.01737%0.371CS..G310 helixtrans-58.8-26-179.200000114.3R129 Q133 E134 P137 F140 R141R129-A131 PolarHBondContact O-N 3.45Å; A131-Q133 PolarHBondContact O-N 3.04Å; A131-E134 PolarHBondContact O-N 3.01Å; A131-P137 WeakPolarHBondContact O-CA 3.13Å; A131-P137 WeakPolarHBondContact O-CB 3.04Å; A131-F140 HydrophobicContact CB-CD1 4Å; A131-R141 HydrophobicContact CB-CB 3.94Å
132A69.1Low71.2Confident46 Ų4674.1 Ų74.138%0.3837%0.373SS..G310 helixtrans-64.9-19.4-179.400000114.6V126 R129 Q130V126-A132 HydrophobicContact CG1-CB 3.66Å; V126-A132 WeakPolarHBondContact O-CB 3.38Å; R129-A132 WeakPolarHBondContact O-CB 3.24Å; R129-A132 PolarHBondContact O-N 3.37Å; Q130-A132 PolarHBondContact O-N 3.26Å; Q130-A132 VanDerWaalsContact O-N 3.14Å
133Q70.4Confident71.6Confident147 Ų14774 Ų7469%0.68737%0.372SS*.G310 helixtrans-91.6-6.2-176.1-61.8178.92.700112.8Q130 A131Q130-Q133 PolarHBondContact O-N 2.97Å; A131-Q133 PolarHBondContact O-N 3.04Å
134E78.8Confident72.1Confident38 Ų3872.4 Ų72.418%0.17836%0.356CS..SBendtrans-91.1156.7-177.3-63.7-65.2151.200111.6A131 D136 P137 F140A131-E134 PolarHBondContact O-N 3.01Å; E134-D136 VanDerWaalsContact C-N 3.28Å; E134-D136 PolarHBondContact O-N 3.18Å; E134-P137 VanDerWaalsContact O-CD 3.31Å; E134-P137 WeakPolarHBondContact O-CD 3.15Å; E134-P137 WeakPolarHBondContact O-CG 3.18Å; E134-F140 HydrophobicContact CB-CB 4.22Å; E134-F140 HydrophobicContact CB-CG 4.29Å; E134-F140 HydrophobicContact CG-CB 4.2Å; E134-F140 HydrophobicContact CG-CD1 3.95Å; E134-F140 HydrophobicContact CG-CD2 3.82Å; E134-F140 HydrophobicContact CG-CE1 4.25Å; E134-F140 HydrophobicContact CG-CE2 4.13Å; E134-F140 HydrophobicContact CG-CG 3.72Å; E134-F140 HydrophobicContact CG-CZ 4.33Å
135E71.9Confident72.2Confident200 Ų20067.7 Ų67.794%0.93534%0.335SS*.SBendtrans-61.8-35.8179.2-66.6-172.7159.200112.8P137E135-P137 WeakPolarHBondContact O-CD 3.45Å
136D77.8Confident72.7Confident59 Ų5967.1 Ų67.132%0.31633%0.332SS..SBendtrans-122.982.6174.1-169.7-24.9000109.8E134 E138 K139 F140E134-D136 VanDerWaalsContact C-N 3.28Å; E134-D136 PolarHBondContact O-N 3.18Å; D136-E138 PolarHBondContact O-N 3.41Å; D136-E138 PolarHBondContact OD1-N 3.2Å; D136-K139 HydrophobicContact CB-CB 4.47Å; D136-K139 PolarHBondContact O-N 3.09Å; D136-K139 PolarHBondContact OD1-N 3Å; D136-K139 VanDerWaalsContact OD1-N 3.09Å; D136-K139 WeakPolarHBondContact OD2-CD 3.45Å; D136-K139 WeakPolarHBondContact OD2-CE 3.48Å; D136-K139 VanDerWaalsContact OD2-CG 3.26Å; D136-K139 WeakPolarHBondContact OD2-CG 3.34Å; D136-K139 IonicContact OD2-NZ 3.82Å; D136-K139 PolarHBondContact OD2-NZ 3.14Å; D136-F140 WeakPolarHBondContact O-CB 3.18Å; D136-F140 PolarHBondContact O-N 2.64Å; D136-F140 VanDerWaalsContact O-N 3.09Å
137P76.8Confident73.8Confident37 Ų3766.5 Ų66.524%0.2433%0.328CS..Hα-helixtrans-57.3-32.8-177.6-28.837.2000113.5V126 A131 E134 E135 R141V126-P137 HydrophobicContact CG1-CB 4.16Å; A131-P137 WeakPolarHBondContact O-CA 3.13Å; A131-P137 WeakPolarHBondContact O-CB 3.04Å; E134-P137 VanDerWaalsContact O-CD 3.31Å; E134-P137 WeakPolarHBondContact O-CD 3.15Å; E134-P137 WeakPolarHBondContact O-CG 3.18Å; E135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-R141 VanDerWaalsContact O-CB 3.24Å; P137-R141 WeakPolarHBondContact O-CB 3.31Å; P137-R141 PolarHBondContact O-N 3.16Å
138E71.4Confident75.1Confident81 Ų8159.8 Ų59.838%0.37931%0.306SS..Hα-helixtrans-71.8-52.7-174.8-63.4-173.117000111N4 D136 F140 R141 E142N4-E138 PolarHBondContact ND2-OE1 3.44Å; N4-E138 PolarHBondContact ND2-OE2 3.39Å; D136-E138 PolarHBondContact O-N 3.41Å; D136-E138 PolarHBondContact OD1-N 3.2Å; E138-F140 VanDerWaalsContact C-N 3.31Å; E138-F140 PolarHBondContact O-N 3.36Å; E138-R141 PolarHBondContact O-N 3.27Å; E138-E142 PolarHBondContact O-N 3.44Å; E138-E142 VanDerWaalsContact O-N 3.16Å
139K75.7Confident76.2Confident120 Ų12060.3 Ų60.352%0.52229%0.29SS..Hα-helixtrans-64.6-37.9178.2-68.4-166.9-168111.60111.8D136 E142 A143 Y162D136-K139 HydrophobicContact CB-CB 4.47Å; D136-K139 PolarHBondContact O-N 3.09Å; D136-K139 PolarHBondContact OD1-N 3Å; D136-K139 VanDerWaalsContact OD1-N 3.09Å; D136-K139 WeakPolarHBondContact OD2-CD 3.45Å; D136-K139 WeakPolarHBondContact OD2-CE 3.48Å; D136-K139 VanDerWaalsContact OD2-CG 3.26Å; D136-K139 WeakPolarHBondContact OD2-CG 3.34Å; D136-K139 IonicContact OD2-NZ 3.82Å; D136-K139 PolarHBondContact OD2-NZ 3.14Å; K139-E142 PolarHBondContact O-N 3.43Å; K139-A143 PolarHBondContact O-N 3.42Å; K139-Y162 WeakPolarHBondContact CB-OH 3.35Å
140F81.8Confident77Confident7 Ų754.5 Ų54.53%0.03127%0.269CS..Hα-helixtrans-64.5-41.3176.8-171.1-89.7000112Q130 A131 E134 D136 E138 E142 A143 L144 L159 Y162Q130-F140 HydrophobicContact CG-CE1 4.16Å; A131-F140 HydrophobicContact CB-CD1 4Å; E134-F140 HydrophobicContact CB-CB 4.22Å; E134-F140 HydrophobicContact CB-CG 4.29Å; E134-F140 HydrophobicContact CG-CB 4.2Å; E134-F140 HydrophobicContact CG-CD1 3.95Å; E134-F140 HydrophobicContact CG-CD2 3.82Å; E134-F140 HydrophobicContact CG-CE1 4.25Å; E134-F140 HydrophobicContact CG-CE2 4.13Å; E134-F140 HydrophobicContact CG-CG 3.72Å; E134-F140 HydrophobicContact CG-CZ 4.33Å; D136-F140 WeakPolarHBondContact O-CB 3.18Å; D136-F140 PolarHBondContact O-N 2.64Å; D136-F140 VanDerWaalsContact O-N 3.09Å; E138-F140 VanDerWaalsContact C-N 3.31Å; E138-F140 PolarHBondContact O-N 3.36Å; F140-E142 VanDerWaalsContact C-N 3.32Å; F140-E142 PolarHBondContact O-N 2.94Å; F140-A143 PolarHBondContact O-N 3.02Å; F140-L144 WeakPolarHBondContact O-CB 3.25Å; F140-L144 PolarHBondContact O-N 2.94Å; F140-L159 HydrophobicContact CE2-CD2 4.33Å; F140-L159 HydrophobicContact CE2-CG 4.44Å; F140-L159 HydrophobicContact CZ-CB 4.37Å; F140-L159 HydrophobicContact CZ-CD2 4.14Å; F140-L159 HydrophobicContact CZ-CG 4.15Å; F140-Y162 HydrophobicContact CD2-CD1 4.27Å; F140-Y162 HydrophobicContact CD2-CE1 4.11Å
141R79.5Confident77.7Confident16 Ų1653.6 Ų53.66%0.0627%0.265CS..Hα-helixtrans-60.2-41.5175.8-175.9-174.565.3111.47.8111.9M1 W2 E125 A131 P137 E138 L144 L145M1-R141 VanDerWaalsContact CE-NH1 3.31Å; M1-R141 VanDerWaalsContact CE-NH2 3.27Å; W2-R141 PolarHBondContact O-NH1 3.23Å; W2-R141 PolarHBondContact O-NH2 3.1Å; E125-R141 IonicContact OE2-NH1 3.4Å; E125-R141 PolarHBondContact OE2-NH1 3.31Å; A131-R141 HydrophobicContact CB-CB 3.94Å; P137-R141 VanDerWaalsContact O-CB 3.24Å; P137-R141 WeakPolarHBondContact O-CB 3.31Å; P137-R141 PolarHBondContact O-N 3.16Å; E138-R141 PolarHBondContact O-N 3.27Å; R141-L144 PolarHBondContact O-N 2.85Å; R141-L145 WeakPolarHBondContact O-CG 3.32Å; R141-L145 PolarHBondContact O-N 3.33Å; R141-L145 VanDerWaalsContact O-N 3.09Å
142E76.6Confident77.8Confident38 Ų3856.3 Ų56.318%0.17829%0.293CS..Hα-helixtrans-64.2-42.3175-70.7-179.4-171.700112.5M1 E138 K139 F140 L144 L145 K146M1-E142 HydrophobicContact CE-CG 4.23Å; E138-E142 PolarHBondContact O-N 3.44Å; E138-E142 VanDerWaalsContact O-N 3.16Å; K139-E142 PolarHBondContact O-N 3.43Å; F140-E142 VanDerWaalsContact C-N 3.32Å; F140-E142 PolarHBondContact O-N 2.94Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-L145 PolarHBondContact O-N 3.29Å; E142-K146 VanDerWaalsContact O-CG 3.31Å; E142-K146 WeakPolarHBondContact O-CG 3.2Å; E142-K146 PolarHBondContact O-N 2.67Å
143A82.8Confident78.4Confident3 Ų355.5 Ų55.53%0.02528%0.282CS..Hα-helixtrans-63.5-40.717600000111.9K139 F140 K146 F147 L159 Y162 Y179K139-A143 PolarHBondContact O-N 3.42Å; F140-A143 PolarHBondContact O-N 3.02Å; A143-K146 PolarHBondContact O-N 3.28Å; A143-F147 WeakPolarHBondContact O-CB 3.26Å; A143-F147 PolarHBondContact O-N 3.19Å; A143-L159 HydrophobicContact CB-CD2 4.49Å; A143-Y162 HydrophobicContact CB-CD1 3.42Å; A143-Y162 VanDerWaalsContact CB-CD1 3.42Å; A143-Y162 HydrophobicContact CB-CD2 3.98Å; A143-Y162 HydrophobicContact CB-CE1 3.43Å; A143-Y162 VanDerWaalsContact CB-CE1 3.43Å; A143-Y162 HydrophobicContact CB-CE2 3.97Å; A143-Y162 HydrophobicContact CB-CG 3.71Å; A143-Y179 HydrophobicContact CB-CE1 4.2Å; A143-Y179 WeakPolarHBondContact O-CE1 3.44Å
144L82.4Confident78.8Confident22 Ų2249.2 Ų49.212%0.11525%0.254CS..Hα-helixtrans-60.7-45.4176.3-179.963.6000111.7F140 R141 E142 K146 F147 E148 L159F140-L144 WeakPolarHBondContact O-CB 3.25Å; F140-L144 PolarHBondContact O-N 2.94Å; R141-L144 PolarHBondContact O-N 2.85Å; E142-L144 VanDerWaalsContact C-N 3.35Å; L144-K146 PolarHBondContact O-N 3.34Å; L144-F147 HydrophobicContact CD1-CD1 4.48Å; L144-F147 WeakPolarHBondContact O-CB 3.49Å; L144-F147 PolarHBondContact O-N 3.45Å; L144-E148 HydrophobicContact CD1-CG 4.5Å; L144-E148 WeakPolarHBondContact O-CG 3.31Å; L144-E148 PolarHBondContact O-N 3.4Å; L144-L159 HydrophobicContact CB-CD2 4.23Å; L144-L159 HydrophobicContact CD1-CB 3.71Å; L144-L159 HydrophobicContact CD1-CD2 4.24Å
145L76.6Confident78.6Confident48 Ų4852.5 Ų52.525%0.25128%0.281SS..Hα-helixtrans-66.7-38.6177.4-70.8169.8000112.3M1 R141 E142 F147 E148 L149M1-L145 HydrophobicContact CB-CD1 4.05Å; M1-L145 HydrophobicContact CE-CD1 3.33Å; M1-L145 HydrophobicContact CG-CD1 4.27Å; M1-L145 HydrophobicContact SD-CD1 3.27Å; M1-L145 WeakPolarHBondContact SD-CD1 3.47Å; R141-L145 WeakPolarHBondContact O-CG 3.32Å; R141-L145 PolarHBondContact O-N 3.33Å; R141-L145 VanDerWaalsContact O-N 3.09Å; E142-L145 PolarHBondContact O-N 3.29Å; L145-F147 VanDerWaalsContact C-N 3.3Å; L145-F147 PolarHBondContact O-N 3.45Å; L145-E148 PolarHBondContact O-N 3.13Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 PolarHBondContact O-N 3.03Å
146K79.3Confident78.9Confident41 Ų4144.5 Ų44.518%0.17825%0.248CC..Hα-helixtrans-61-42.4172.2-72.1167.8-173.41610110.6V59 E142 A143 L144 H150 Y179V59-K146 HydrophobicContact CG1-CG 4.06Å; V59-K146 HydrophobicContact CG2-CD 4.19Å; V59-K146 VanDerWaalsContact CG2-CE 3.48Å; V59-K146 HydrophobicContact CG2-CG 3.9Å; E142-K146 VanDerWaalsContact O-CG 3.31Å; E142-K146 WeakPolarHBondContact O-CG 3.2Å; E142-K146 PolarHBondContact O-N 2.67Å; A143-K146 PolarHBondContact O-N 3.28Å; L144-K146 PolarHBondContact O-N 3.34Å; K146-H150 WeakPolarHBondContact O-CB 3.42Å; K146-H150 PolarHBondContact O-CD2 3.38Å; K146-H150 PolarHBondContact O-N 2.66Å; K146-Y179 WeakPolarHBondContact CB-OH 3.22Å
147F85.4Confident79.3Confident4 Ų442.1 Ų42.12%0.01824%0.235CC..Hα-helixtrans-61.9-51.1177173.4-103.9000111.9A143 L144 L145 L149 H150 F151 L153 E157 L159 Y179 A186A143-F147 WeakPolarHBondContact O-CB 3.26Å; A143-F147 PolarHBondContact O-N 3.19Å; L144-F147 HydrophobicContact CD1-CD1 4.48Å; L144-F147 WeakPolarHBondContact O-CB 3.49Å; L144-F147 PolarHBondContact O-N 3.45Å; L145-F147 VanDerWaalsContact C-N 3.3Å; L145-F147 PolarHBondContact O-N 3.45Å; F147-L149 PolarHBondContact O-N 3.31Å; F147-H150 PolarHBondContact O-N 3.16Å; F147-F151 AromaticContact CD2-CD2 3.44Å; F147-F151 HydrophobicContact CD2-CD2 3.44Å; F147-F151 VanDerWaalsContact CD2-CD2 3.44Å; F147-F151 AromaticContact CD2-CE2 3.86Å; F147-F151 HydrophobicContact CD2-CE2 3.86Å; F147-F151 HydrophobicContact CD2-CG 4.47Å; F147-F151 AromaticContact CE2-CD2 3.91Å; F147-F151 HydrophobicContact CE2-CD2 3.91Å; F147-F151 HydrophobicContact CG-CD2 4.19Å; F147-F151 WeakPolarHBondContact O-CD2 3.43Å; F147-F151 PolarHBondContact O-N 3.48Å; F147-L153 HydrophobicContact CE1-CD1 4.33Å; F147-L153 HydrophobicContact CE2-CD1 4.03Å; F147-L153 HydrophobicContact CZ-CD1 3.55Å; F147-E157 HydrophobicContact CZ-CG 4.36Å; F147-L159 HydrophobicContact CB-CD2 4.3Å; F147-L159 HydrophobicContact CD1-CB 4.15Å; F147-L159 HydrophobicContact CD1-CD1 4.44Å; F147-L159 HydrophobicContact CD2-CD1 4.13Å; F147-L159 HydrophobicContact CE1-CB 4.34Å; F147-L159 HydrophobicContact CE2-CD1 4.41Å; F147-L159 HydrophobicContact CG-CD1 4.14Å; F147-Y179 HydrophobicContact CB-CD1 3.83Å; F147-Y179 HydrophobicContact CB-CE1 4.13Å; F147-Y179 HydrophobicContact CB-CG 4.32Å; F147-Y179 HydrophobicContact CD2-CD1 4.18Å; F147-Y179 AromaticContact CD2-CG 3.89Å; F147-Y179 HydrophobicContact CD2-CG 3.89Å; F147-Y179 HydrophobicContact CG-CD1 4.4Å; F147-A186 HydrophobicContact CD2-CB 4.46Å; F147-A186 HydrophobicContact CE2-CB 4.02Å
148E81Confident79.8Confident90 Ų9043.6 Ų43.642%0.42124%0.237SC..Hα-helixtrans-60.1-47.9178.4-71.1174.1174.600111.8L144 L145 H150 G152L144-E148 HydrophobicContact CD1-CG 4.5Å; L144-E148 WeakPolarHBondContact O-CG 3.31Å; L144-E148 PolarHBondContact O-N 3.4Å; L145-E148 PolarHBondContact O-N 3.13Å; E148-H150 PolarHBondContact O-N 2.96Å; E148-G152 PolarHBondContact O-N 3.43Å
149L76.4Confident80.7Confident88 Ų8839.8 Ų39.846%0.46122%0.219SC..Hα-helixtrans-61.9-43.7179-176.973.2000112V59 A81 L145 F147V59-L149 HydrophobicContact CG1-CD2 3.75Å; A81-L149 HydrophobicContact CB-CD1 4.03Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 PolarHBondContact O-N 3.03Å; F147-L149 PolarHBondContact O-N 3.31Å
150H81.9Confident81.5Confident20 Ų2034 Ų349%0.09319%0.194CC..Hα-helixtrans-79-35.5-174.4-69.4-44.2000112.4K146 F147 E148 Y188 K197K146-H150 WeakPolarHBondContact O-CB 3.42Å; K146-H150 PolarHBondContact O-CD2 3.38Å; K146-H150 PolarHBondContact O-N 2.66Å; F147-H150 PolarHBondContact O-N 3.16Å; E148-H150 PolarHBondContact O-N 2.96Å; H150-Y188 HydrophobicContact CB-CD2 4.2Å; H150-Y188 AromaticContact CD2-CD1 3.93Å; H150-Y188 AromaticContact CD2-CD2 3.99Å; H150-Y188 AromaticContact CD2-CG 3.82Å; H150-Y188 AromaticContact CE1-CE1 3.82Å; H150-Y188 AromaticContact CE1-CE2 3.62Å; H150-Y188 AromaticContact CE1-CZ 3.44Å; H150-Y188 VanDerWaalsContact CE1-CZ 3.44Å; H150-Y188 AromaticContact CG-CD2 3.75Å; H150-Y188 AromaticContact CG-CE2 3.94Å; H150-Y188 AromaticContact ND1-CD2 3.85Å; H150-Y188 AromaticContact ND1-CE2 3.54Å; H150-Y188 AromaticContact ND1-CZ 3.87Å; H150-Y188 AromaticContact NE2-CD1 3.8Å; H150-Y188 AromaticContact NE2-CE1 3.61Å; H150-Y188 AromaticContact NE2-CZ 3.74Å; H150-K197 VanDerWaalsContact O-CD 3.28Å; H150-K197 WeakPolarHBondContact O-CD 3.38Å; H150-K197 WeakPolarHBondContact O-CE 3.34Å; H150-K197 PolarHBondContact O-NZ 3Å
151F84.1Confident82Confident18 Ų1834.3 Ų34.38%0.07920%0.196CC..Hα-helixtrans-107.8-13.4-167.7-57.7-69.4000115F147 L153 Y179 A186 K197 V199F147-F151 AromaticContact CD2-CD2 3.44Å; F147-F151 HydrophobicContact CD2-CD2 3.44Å; F147-F151 VanDerWaalsContact CD2-CD2 3.44Å; F147-F151 AromaticContact CD2-CE2 3.86Å; F147-F151 HydrophobicContact CD2-CE2 3.86Å; F147-F151 HydrophobicContact CD2-CG 4.47Å; F147-F151 AromaticContact CE2-CD2 3.91Å; F147-F151 HydrophobicContact CE2-CD2 3.91Å; F147-F151 HydrophobicContact CG-CD2 4.19Å; F147-F151 WeakPolarHBondContact O-CD2 3.43Å; F147-F151 PolarHBondContact O-N 3.48Å; F151-L153 HydrophobicContact CB-CD1 4.09Å; F151-L153 HydrophobicContact CB-CG 3.99Å; F151-L153 PolarHBondContact O-N 3.28Å; F151-Y179 AromaticContact CE2-CD2 3.63Å; F151-Y179 HydrophobicContact CE2-CD2 3.63Å; F151-Y179 HydrophobicContact CE2-CE2 4.04Å; F151-Y179 HydrophobicContact CE2-CG 4.24Å; F151-Y179 HydrophobicContact CZ-CD2 4.08Å; F151-Y179 HydrophobicContact CZ-CE2 4.45Å; F151-A186 HydrophobicContact CD1-CB 3.85Å; F151-A186 HydrophobicContact CD2-CB 3.78Å; F151-A186 HydrophobicContact CE1-CB 3.68Å; F151-A186 HydrophobicContact CE2-CB 3.63Å; F151-A186 HydrophobicContact CG-CB 3.89Å; F151-A186 HydrophobicContact CZ-CB 3.56Å; F151-K197 HydrophobicContact CD1-CG 4.06Å; F151-K197 HydrophobicContact CE1-CG 3.71Å; F151-V199 HydrophobicContact CB-CG2 3.93Å; F151-V199 HydrophobicContact CD1-CG2 3.42Å; F151-V199 VanDerWaalsContact CD1-CG2 3.42Å; F151-V199 HydrophobicContact CE1-CG2 4.23Å; F151-V199 HydrophobicContact CG-CG2 3.93Å
152G73.6Confident82.7Confident59 Ų5936.4 Ų36.461%0.60821%0.205SC*.  trans59.927175.500000113.5E148E148-G152 PolarHBondContact O-N 3.43Å
153L82.4Confident83.5Confident30 Ų3035.8 Ų35.816%0.15720%0.201CC..  trans-78150176.5-59.5173.1000109.5F147 F151 E157 V199 W831F147-L153 HydrophobicContact CE1-CD1 4.33Å; F147-L153 HydrophobicContact CE2-CD1 4.03Å; F147-L153 HydrophobicContact CZ-CD1 3.55Å; F151-L153 HydrophobicContact CB-CD1 4.09Å; F151-L153 HydrophobicContact CB-CG 3.99Å; F151-L153 PolarHBondContact O-N 3.28Å; L153-E157 HydrophobicContact CB-CB 4.12Å; L153-E157 HydrophobicContact CB-CG 4.33Å; L153-E157 HydrophobicContact CD1-CG 4.07Å; L153-V199 HydrophobicContact CD1-CG1 4.4Å; L153-W831 HydrophobicContact CD2-CH2 4.09Å; L153-W831 HydrophobicContact CD2-CZ2 4.09Å
154P79.1Confident83.8Confident14 Ų1437.9 Ų37.99%0.09122%0.215CC..  trans-59.3153.8177.9-25.737000112.7S156 E157 W831 A1116P154-S156 PolarHBondContact O-N 2.9Å; P154-E157 WeakPolarHBondContact O-CB 3.36Å; P154-E157 PolarHBondContact O-N 3.5Å; P154-W831 HydrophobicContact CB-CD2 4.33Å; P154-W831 HydrophobicContact CB-CG 4.45Å; P154-W831 VanDerWaalsContact CD-CH2 3.42Å; P154-W831 VanDerWaalsContact CD-CZ2 3.45Å; P154-W831 HydrophobicContact CG-CD2 3.63Å; P154-W831 HydrophobicContact CG-CE3 3.52Å; P154-W831 HydrophobicContact CG-CG 4.22Å; P154-W831 HydrophobicContact CG-CH2 3.98Å; P154-W831 HydrophobicContact CG-CZ2 4.15Å; P154-W831 HydrophobicContact CG-CZ3 3.7Å; P154-A1116 HydrophobicContact CG-CB 3.68Å
155S74.8Confident84.2Confident107 Ų10736.9 Ų36.975%0.74821%0.21SC*.THydrogen-bonded Turntrans-62.2-13.1177.857.50000114.7E157S155-E157 VanDerWaalsContact C-N 3.33Å
156S78.4Confident84.9Confident33 Ų3335.2 Ų35.223%0.23120%0.203CC..THydrogen-bonded Turntrans-74.5-20.917043.50000113.5P154 K158 W831P154-S156 PolarHBondContact O-N 2.9Å; S156-K158 PolarHBondContact O-N 3.41Å; S156-W831 WeakPolarHBondContact OG-CB 3.31Å
157E85.8Confident85.5Confident9 Ų933.5 Ų33.54%0.04220%0.196CC..SBendtrans-78.3111.1175.2-171.865.2-164.200109.8F147 L153 P154 S155 S181 N183 H184 W831F147-E157 HydrophobicContact CZ-CG 4.36Å; L153-E157 HydrophobicContact CB-CB 4.12Å; L153-E157 HydrophobicContact CB-CG 4.33Å; L153-E157 HydrophobicContact CD1-CG 4.07Å; P154-E157 WeakPolarHBondContact O-CB 3.36Å; P154-E157 PolarHBondContact O-N 3.5Å; S155-E157 VanDerWaalsContact C-N 3.33Å; E157-S181 VanDerWaalsContact OE1-CB 3.23Å; E157-S181 WeakPolarHBondContact OE1-CB 3.14Å; E157-S181 PolarHBondContact OE1-OG 2.89Å; E157-N183 PolarHBondContact OE1-N 3.21Å; E157-N183 PolarHBondContact OE2-ND2 2.7Å; E157-H184 IonicContact OE1-CG 3.85Å; E157-H184 PolarHBondContact OE1-N 3.02Å; E157-H184 IonicContact OE1-ND1 3Å; E157-H184 PolarHBondContact OE1-ND1 2.98Å; E157-H184 VanDerWaalsContact OE1-ND1 3.08Å; E157-H184 IonicContact OE2-CE1 2.69Å; E157-H184 IonicContact OE2-ND1 3.25Å; E157-W831 PolarHBondContact OE2-NE1 3.49Å
158K86.6Confident85.6Confident68 Ų6835.7 Ų35.730%0.29620%0.204SC..  trans-93.1128.6-177.1-62.1-165.3178.5-167.30111.7S156 S181 V182 A271S156-K158 PolarHBondContact O-N 3.41Å; K158-S181 WeakPolarHBondContact O-CA 3.2Å; K158-S181 WeakPolarHBondContact O-CB 3.46Å; K158-V182 HydrophobicContact CB-CG2 4.07Å; K158-V182 PolarHBondContact O-N 3.09Å; K158-A271 PolarHBondContact NZ-O 3.49Å
159L91.1Very high85.6Confident0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-68.7128168.9-178.865.6000109.2Q130 F140 A143 L144 F147 T161 Y179Q130-L159 PolarHBondContact NE2-O 3.37Å; F140-L159 HydrophobicContact CE2-CD2 4.33Å; F140-L159 HydrophobicContact CE2-CG 4.44Å; F140-L159 HydrophobicContact CZ-CB 4.37Å; F140-L159 HydrophobicContact CZ-CD2 4.14Å; F140-L159 HydrophobicContact CZ-CG 4.15Å; A143-L159 HydrophobicContact CB-CD2 4.49Å; L144-L159 HydrophobicContact CB-CD2 4.23Å; L144-L159 HydrophobicContact CD1-CB 3.71Å; L144-L159 HydrophobicContact CD1-CD2 4.24Å; F147-L159 HydrophobicContact CB-CD2 4.3Å; F147-L159 HydrophobicContact CD1-CB 4.15Å; F147-L159 HydrophobicContact CD1-CD1 4.44Å; F147-L159 HydrophobicContact CD2-CD1 4.13Å; F147-L159 HydrophobicContact CE1-CB 4.34Å; F147-L159 HydrophobicContact CE2-CD1 4.41Å; F147-L159 HydrophobicContact CG-CD1 4.14Å; L159-T161 WeakPolarHBondContact CD1-O 3.22Å; L159-Y179 HydrophobicContact CD1-CD1 4.04Å; L159-Y179 HydrophobicContact CD1-CG 4.43Å; L159-Y179 HydrophobicContact CD2-CD1 4.29Å
160V91.9Very high85.6Confident0 Ų038.8 Ų38.80%023%0.233CC..EExtended strand (participates in β ladder)trans-94.2-46.2178.6176.50000110.8L180 V182 L247 I273 K275 L278V160-L180 WeakPolarHBondContact CA-O 3.38Å; V160-L180 WeakPolarHBondContact CB-O 3.42Å; V160-L180 PolarHBondContact N-O 3.09Å; V160-V182 HydrophobicContact CG2-CG2 3.8Å; V160-L247 HydrophobicContact CB-CD1 4.43Å; V160-L247 HydrophobicContact CG2-CD2 4.18Å; V160-I273 HydrophobicContact CG2-CG2 4.16Å; V160-K275 HydrophobicContact CG1-CB 4.36Å; V160-L278 HydrophobicContact CG1-CD1 3.93Å
161T92.9Very high85.4Confident12 Ų1248 Ų487%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-162.5171.7178.1-172.90000110.6L159 Y163 L180 V243L159-T161 WeakPolarHBondContact CD1-O 3.22Å; T161-Y163 HydrophobicContact CG2-CD2 4.41Å; T161-Y163 HydrophobicContact CG2-CE2 3.52Å; T161-L180 HydrophobicContact CG2-CB 4.11Å; T161-L180 HydrophobicContact CG2-CD1 4.02Å; T161-L180 HydrophobicContact CG2-CG 4.33Å; T161-L180 PolarHBondContact N-O 2.84Å; T161-L180 VanDerWaalsContact N-O 3.15Å; T161-L180 PolarHBondContact O-N 3.19Å; T161-V243 HydrophobicContact CG2-CG1 3.85Å
162Y93.5Very high85.3Confident61 Ų6150.3 Ų50.324%0.23928%0.282CS..EExtended strand (participates in β ladder)trans-142.9150175.669.4-78.1000111.3K139 F140 A143 F177 L178K139-Y162 WeakPolarHBondContact CB-OH 3.35Å; F140-Y162 HydrophobicContact CD2-CD1 4.27Å; F140-Y162 HydrophobicContact CD2-CE1 4.11Å; A143-Y162 HydrophobicContact CB-CD1 3.42Å; A143-Y162 VanDerWaalsContact CB-CD1 3.42Å; A143-Y162 HydrophobicContact CB-CD2 3.98Å; A143-Y162 HydrophobicContact CB-CE1 3.43Å; A143-Y162 VanDerWaalsContact CB-CE1 3.43Å; A143-Y162 HydrophobicContact CB-CE2 3.97Å; A143-Y162 HydrophobicContact CB-CG 3.71Å; Y162-F177 HydrophobicContact CD2-CD1 4.17Å; Y162-L178 CarbonylContact C-O 3.28Å; Y162-L178 WeakPolarHBondContact CA-O 3.4Å
163Y92.8Very high85.8Confident24 Ų2450 Ų509%0.09427%0.27CS..EExtended strand (participates in β ladder)trans-132.9136-180-59.7-77.7000110.7T161 F177 L178 L180 F234 A240T161-Y163 HydrophobicContact CG2-CD2 4.41Å; T161-Y163 HydrophobicContact CG2-CE2 3.52Å; Y163-F177 WeakPolarHBondContact O-CA 3.35Å; Y163-L178 PolarHBondContact N-O 3.3Å; Y163-L178 PolarHBondContact O-N 3.36Å; Y163-L180 HydrophobicContact CD2-CD1 4.14Å; Y163-L180 HydrophobicContact CD2-CG 4.48Å; Y163-L180 HydrophobicContact CE2-CD1 3.72Å; Y163-L180 HydrophobicContact CE2-CG 4.43Å; Y163-F234 HydrophobicContact CG-CD1 4.45Å; Y163-A240 HydrophobicContact CD1-CB 4.08Å; Y163-A240 HydrophobicContact CD2-CB 3.96Å; Y163-A240 HydrophobicContact CE1-CB 4.07Å; Y163-A240 HydrophobicContact CE2-CB 3.93Å; Y163-A240 HydrophobicContact CG-CB 4.03Å
164S89.6Confident86Confident47 Ų4750.5 Ų50.533%0.32927%0.269SS..EExtended strand (participates in β ladder)trans-71.9127.5164.5173.90000108.9
165C91.9Very high86.5Confident1 Ų155.4 Ų55.41%0.00729%0.291CS..EExtended strand (participates in β ladder)trans-159.4176.1178.568.70000111.9G176 L178 S232 F234C165-G176 PolarHBondContact N-O 3.02Å; C165-G176 CarbonylContact O-C 3.57Å; C165-G176 PolarHBondContact O-N 2.93Å; C165-L178 VanDerWaalsContact SG-CB 3.6Å; C165-S232 WeakPolarHBondContact CB-O 3.48Å; C165-F234 HydrophobicContact CB-CD1 3.82Å; C165-F234 HydrophobicContact CB-CD2 4.41Å; C165-F234 HydrophobicContact CB-CE1 3.55Å; C165-F234 HydrophobicContact CB-CE2 4.18Å; C165-F234 HydrophobicContact CB-CG 4.25Å; C165-F234 HydrophobicContact CB-CZ 3.75Å
166C90.9Very high87.1Confident14 Ų1450.6 Ų50.610%0.09526%0.258CS..EExtended strand (participates in β ladder)trans-110.6123.3173.4-73.90000110.3P173 R174 F231 S232 M233C166-P173 HydrophobicContact CB-CB 4.27Å; C166-R174 WeakPolarHBondContact CA-O 3.15Å; C166-F231 CarbonylContact O-C 3.57Å; C166-F231 WeakPolarHBondContact O-CA 3.21Å; C166-S232 PolarHBondContact N-O 3.19Å; C166-S232 PolarHBondContact O-N 3.44Å; C166-M233 HydrophobicContact CB-CB 4.48Å; C166-M233 HydrophobicContact CB-CG 4.27Å
167C91.1Very high87.8Confident5 Ų552.3 Ų52.33%0.03426%0.262CS..EExtended strand (participates in β ladder)trans-88.8133.5167-1790000109.7R174 F187 E230 F231C167-R174 PolarHBondContact N-O 2.91Å; C167-R174 VanDerWaalsContact O-CB 3.27Å; C167-R174 WeakPolarHBondContact O-CB 2.91Å; C167-R174 PolarHBondContact O-N 3.2Å; C167-F187 HydrophobicContact CB-CD1 3.86Å; C167-F187 HydrophobicContact CB-CD2 4.27Å; C167-F187 HydrophobicContact CB-CE1 3.38Å; C167-F187 HydrophobicContact CB-CE2 3.84Å; C167-F187 HydrophobicContact CB-CG 4.28Å; C167-F187 HydrophobicContact CB-CZ 3.37Å; C167-E230 WeakPolarHBondContact CA-O 3.46Å; C167-F231 HydrophobicContact CB-CD1 3.96Å; C167-F231 HydrophobicContact CB-CE1 3.81Å
168W87.1Confident88.3Confident49 Ų4951.9 Ų51.919%0.18626%0.26CS..EExtended strand (participates in β ladder)trans-98.8138.2-178.2-65.978.4000111.9P173 M216 E230 S232W168-P173 HydrophobicContact CD2-CB 4.16Å; W168-P173 HydrophobicContact CE3-CB 4.17Å; W168-P173 HydrophobicContact CH2-CB 3.86Å; W168-P173 HydrophobicContact CH2-CG 4.05Å; W168-P173 HydrophobicContact CZ2-CB 3.83Å; W168-P173 HydrophobicContact CZ2-CG 4.47Å; W168-P173 HydrophobicContact CZ3-CB 4.02Å; W168-P173 HydrophobicContact CZ3-CG 4.14Å; W168-M216 HydrophobicContact CD2-SD 3.69Å; W168-M216 HydrophobicContact CE3-SD 4.35Å; W168-M216 HydrophobicContact CG-SD 3.91Å; W168-M216 HydrophobicContact CH2-CG 4.38Å; W168-M216 HydrophobicContact CH2-SD 4.47Å; W168-M216 HydrophobicContact CZ2-CG 3.98Å; W168-M216 HydrophobicContact CZ2-SD 3.84Å; W168-M216 PolarHBondContact NE1-SD 3.08Å; W168-E230 HydrophobicContact CB-CB 4.36Å; W168-E230 PolarHBondContact N-O 2.85Å; W168-S232 PolarHBondContact NE1-OG 2.92Å
169K81.4Confident88.7Confident173 Ų17348.8 Ų48.875%0.75225%0.246SC*.EExtended strand (participates in β ladder)trans-126.299.1165.9-174.7178.5-178.91780108R171 V172K169-R171 PolarHBondContact O-N 3.31Å; K169-V172 PolarHBondContact N-O 3.49Å; K169-V172 PolarHBondContact O-N 3.03Å
170G77.1Confident89Confident71 Ų7148.8 Ų48.873%0.73225%0.246SC*.THydrogen-bonded Turntrans60.4-130.2-165.800000110.1V172G170-V172 VanDerWaalsContact C-N 3.34Å; G170-V172 PolarHBondContact O-N 2.94Å
171R77.8Confident89.1Confident213 Ų21348.8 Ų48.880%0.80425%0.246SC*.THydrogen-bonded Turntrans-87.77.1-179-60.9-174.6-177179.80.7114.9K169 P173 L215K169-R171 PolarHBondContact O-N 3.31Å; R171-P173 WeakPolarHBondContact O-CD 3.4Å; R171-L215 HydrophobicContact CG-CD1 4.43Å
172V81.4Confident89Confident66 Ų6648.3 Ų48.340%0.424%0.243SC..EExtended strand (participates in β ladder)trans-105.5112.6-174.3-173.50000110.5K169 G170K169-V172 PolarHBondContact N-O 3.49Å; K169-V172 PolarHBondContact O-N 3.03Å; G170-V172 VanDerWaalsContact C-N 3.34Å; G170-V172 PolarHBondContact O-N 2.94Å
173P85.2Confident88.9Confident54 Ų5445.5 Ų45.535%0.35123%0.232SC..EExtended strand (participates in β ladder)trans-74.1136174.329.3-32.1000110.5C166 W168 R171C166-P173 HydrophobicContact CB-CB 4.27Å; W168-P173 HydrophobicContact CD2-CB 4.16Å; W168-P173 HydrophobicContact CE3-CB 4.17Å; W168-P173 HydrophobicContact CH2-CB 3.86Å; W168-P173 HydrophobicContact CH2-CG 4.05Å; W168-P173 HydrophobicContact CZ2-CB 3.83Å; W168-P173 HydrophobicContact CZ2-CG 4.47Å; W168-P173 HydrophobicContact CZ3-CB 4.02Å; W168-P173 HydrophobicContact CZ3-CG 4.14Å; R171-P173 WeakPolarHBondContact O-CD 3.4Å
174R86.6Confident88.9Confident40 Ų4044.4 Ų44.415%0.15123%0.228CC..EExtended strand (participates in β ladder)trans-114.598.1173.6-57-64.7-179.5-172.8-5.6107.4C166 C167 G176 F187 V196C166-R174 WeakPolarHBondContact CA-O 3.15Å; C167-R174 PolarHBondContact N-O 2.91Å; C167-R174 VanDerWaalsContact O-CB 3.27Å; C167-R174 WeakPolarHBondContact O-CB 2.91Å; C167-R174 PolarHBondContact O-N 3.2Å; R174-G176 PolarHBondContact O-N 3.47Å; R174-F187 WeakPolarHBondContact O-CZ 3.33Å; R174-V196 HydrophobicContact CG-CG2 4.15Å
175Q87.8Confident89.2Confident116 Ų11642.1 Ų42.154%0.54221%0.212SC..EExtended strand (participates in β ladder)trans-70.2127.9179.1-173179.75.500110.2S189Q175-S189 WeakPolarHBondContact O-CB 3.44Å; Q175-S189 PolarHBondContact O-OG 3.5Å
176G88.3Confident89.4Confident6 Ų642.1 Ų42.16%0.06221%0.212CC..EExtended strand (participates in β ladder)trans-165.7-157.1-176.700000112.6C165 R174 Y188C165-G176 PolarHBondContact N-O 3.02Å; C165-G176 CarbonylContact O-C 3.57Å; C165-G176 PolarHBondContact O-N 2.93Å; R174-G176 PolarHBondContact O-N 3.47Å; G176-Y188 CarbonylContact C-O 3.47Å; G176-Y188 WeakPolarHBondContact CA-O 3.42Å
177F92.9Very high89.6Confident70 Ų7041.4 Ų41.431%0.30721%0.207SC..EExtended strand (participates in β ladder)trans-123.5131.7179.1-67-86.9000109.8Y162 Y163 Y179 F187 Y188Y162-F177 HydrophobicContact CD2-CD1 4.17Å; Y163-F177 WeakPolarHBondContact O-CA 3.35Å; F177-Y179 HydrophobicContact CB-CD2 4.29Å; F177-Y179 HydrophobicContact CB-CE2 3.55Å; F177-F187 WeakPolarHBondContact O-CA 2.79Å; F177-F187 VanDerWaalsContact O-CD2 3.3Å; F177-F187 WeakPolarHBondContact O-CD2 3.35Å; F177-Y188 PolarHBondContact N-O 3.45Å; F177-Y188 PolarHBondContact O-N 3.46Å
178L95.8Very high89.6Confident0 Ų042.8 Ų42.80%021%0.212CC..EExtended strand (participates in β ladder)trans-95.2119168.8177.566.4000108.3Y162 Y163 C165 L180 M185 F187 F231 F234 M244Y162-L178 CarbonylContact C-O 3.28Å; Y162-L178 WeakPolarHBondContact CA-O 3.4Å; Y163-L178 PolarHBondContact N-O 3.3Å; Y163-L178 PolarHBondContact O-N 3.36Å; C165-L178 VanDerWaalsContact SG-CB 3.6Å; L178-L180 HydrophobicContact CD1-CD2 4.06Å; L178-L180 HydrophobicContact CD2-CD2 3.95Å; L178-L180 HydrophobicContact CG-CD2 3.73Å; L178-L180 HydrophobicContact CG-CG 4.49Å; L178-M185 HydrophobicContact CD1-CB 4.46Å; L178-M185 HydrophobicContact CD1-CE 3.75Å; L178-F187 HydrophobicContact CB-CD2 4.3Å; L178-F187 HydrophobicContact CD1-CB 4.48Å; L178-F231 HydrophobicContact CD1-CE1 4.22Å; L178-F231 HydrophobicContact CD1-CZ 4.46Å; L178-F234 HydrophobicContact CD2-CE1 4.1Å; L178-F234 HydrophobicContact CD2-CZ 4.16Å; L178-M244 HydrophobicContact CD2-CE 4.36Å; L178-M244 HydrophobicContact CD2-SD 3.92Å
179Y96Very high89.6Confident3 Ų340.5 Ų40.51%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-103.3128.3176.5-60.1-91.4000108.4A143 K146 F147 F151 L159 F177 A186A143-Y179 HydrophobicContact CB-CE1 4.2Å; A143-Y179 WeakPolarHBondContact O-CE1 3.44Å; K146-Y179 WeakPolarHBondContact CB-OH 3.22Å; F147-Y179 HydrophobicContact CB-CD1 3.83Å; F147-Y179 HydrophobicContact CB-CE1 4.13Å; F147-Y179 HydrophobicContact CB-CG 4.32Å; F147-Y179 HydrophobicContact CD2-CD1 4.18Å; F147-Y179 AromaticContact CD2-CG 3.89Å; F147-Y179 HydrophobicContact CD2-CG 3.89Å; F147-Y179 HydrophobicContact CG-CD1 4.4Å; F151-Y179 AromaticContact CE2-CD2 3.63Å; F151-Y179 HydrophobicContact CE2-CD2 3.63Å; F151-Y179 HydrophobicContact CE2-CE2 4.04Å; F151-Y179 HydrophobicContact CE2-CG 4.24Å; F151-Y179 HydrophobicContact CZ-CD2 4.08Å; F151-Y179 HydrophobicContact CZ-CE2 4.45Å; L159-Y179 HydrophobicContact CD1-CD1 4.04Å; L159-Y179 HydrophobicContact CD1-CG 4.43Å; L159-Y179 HydrophobicContact CD2-CD1 4.29Å; F177-Y179 HydrophobicContact CB-CD2 4.29Å; F177-Y179 HydrophobicContact CB-CE2 3.55Å; Y179-A186 PolarHBondContact N-O 3.18Å; Y179-A186 PolarHBondContact O-N 3.25Å
180L96.8Very high89.4Confident0 Ų035.6 Ų35.60%018%0.182CC..EExtended strand (participates in β ladder)trans-111.8113.1178-54-172.4000107.9V160 T161 Y163 L178 M185 W202 V243 M244 L247V160-L180 WeakPolarHBondContact CA-O 3.38Å; V160-L180 WeakPolarHBondContact CB-O 3.42Å; V160-L180 PolarHBondContact N-O 3.09Å; T161-L180 HydrophobicContact CG2-CB 4.11Å; T161-L180 HydrophobicContact CG2-CD1 4.02Å; T161-L180 HydrophobicContact CG2-CG 4.33Å; T161-L180 PolarHBondContact N-O 2.84Å; T161-L180 VanDerWaalsContact N-O 3.15Å; T161-L180 PolarHBondContact O-N 3.19Å; Y163-L180 HydrophobicContact CD2-CD1 4.14Å; Y163-L180 HydrophobicContact CD2-CG 4.48Å; Y163-L180 HydrophobicContact CE2-CD1 3.72Å; Y163-L180 HydrophobicContact CE2-CG 4.43Å; L178-L180 HydrophobicContact CD1-CD2 4.06Å; L178-L180 HydrophobicContact CD2-CD2 3.95Å; L178-L180 HydrophobicContact CG-CD2 3.73Å; L178-L180 HydrophobicContact CG-CG 4.49Å; L180-M185 HydrophobicContact CD2-CB 3.98Å; L180-W202 HydrophobicContact CB-CZ2 4.35Å; L180-W202 HydrophobicContact CD2-CH2 3.84Å; L180-W202 HydrophobicContact CD2-CZ2 3.89Å; L180-V243 HydrophobicContact CD1-CB 4.35Å; L180-V243 HydrophobicContact CD1-CG1 3.88Å; L180-M244 HydrophobicContact CD1-CG 3.58Å; L180-M244 HydrophobicContact CD2-CG 4.05Å; L180-M244 HydrophobicContact CG-CG 4.5Å; L180-L247 HydrophobicContact CB-CD1 3.78Å; L180-L247 HydrophobicContact CD1-CD1 4.36Å
181S94.1Very high89Confident0 Ų034.4 Ų34.40%016%0.159CC..EExtended strand (participates in β ladder)trans-103.9175.317370.40000110.3E157 K158 N183 H184 W202E157-S181 VanDerWaalsContact OE1-CB 3.23Å; E157-S181 WeakPolarHBondContact OE1-CB 3.14Å; E157-S181 PolarHBondContact OE1-OG 2.89Å; K158-S181 WeakPolarHBondContact O-CA 3.2Å; K158-S181 WeakPolarHBondContact O-CB 3.46Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 2.86Å; S181-H184 PolarHBondContact N-O 2.76Å; S181-H184 WeakPolarHBondContact OG-CB 3.24Å; S181-H184 PolarHBondContact OG-N 3.48Å; S181-H184 PolarHBondContact OG-O 2.76Å; S181-W202 PolarHBondContact O-NE1 3.05Å
182V90.8Very high88.4Confident2 Ų230 Ų301%0.01215%0.151CC..SBendtrans-56.4-45.5-177.3174.90000112.2K158 V160 T251 T270 I273K158-V182 HydrophobicContact CB-CG2 4.07Å; K158-V182 PolarHBondContact O-N 3.09Å; V160-V182 HydrophobicContact CG2-CG2 3.8Å; V182-T251 PolarHBondContact O-OG1 2.96Å; V182-T251 VanDerWaalsContact O-OG1 3.1Å; V182-T270 HydrophobicContact CG1-CG2 3.88Å; V182-I273 HydrophobicContact CG1-CD1 3.74Å; V182-I273 HydrophobicContact CG2-CB 4.02Å; V182-I273 HydrophobicContact CG2-CG2 4.31Å
183N91.1Very high87.5Confident2 Ų229.2 Ų29.21%0.01116%0.155CC..SBendtrans-109.8-9.6-175.3-52.7-62.8000113.3E157 S181 W202 R254 Y830E157-N183 PolarHBondContact OE1-N 3.21Å; E157-N183 PolarHBondContact OE2-ND2 2.7Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 2.86Å; N183-W202 VanDerWaalsContact O-CD1 3.27Å; N183-W202 PolarHBondContact O-N 3.08Å; N183-R254 PolarHBondContact OD1-NH1 3.13Å; N183-Y830 HydrophobicContact CB-CD1 3.88Å; N183-Y830 HydrophobicContact CB-CD2 4.39Å; N183-Y830 HydrophobicContact CB-CE1 4.16Å; N183-Y830 HydrophobicContact CB-CG 4.02Å
184H93.7Very high86.9Confident0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-136.9155.7-173.4-5378.1000113.6E157 S181 V199 I200 W202 Y830 W831 Y1112E157-H184 IonicContact OE1-CG 3.85Å; E157-H184 PolarHBondContact OE1-N 3.02Å; E157-H184 IonicContact OE1-ND1 3Å; E157-H184 PolarHBondContact OE1-ND1 2.98Å; E157-H184 VanDerWaalsContact OE1-ND1 3.08Å; E157-H184 IonicContact OE2-CE1 2.69Å; E157-H184 IonicContact OE2-ND1 3.25Å; S181-H184 PolarHBondContact N-O 2.76Å; S181-H184 WeakPolarHBondContact OG-CB 3.24Å; S181-H184 PolarHBondContact OG-N 3.48Å; S181-H184 PolarHBondContact OG-O 2.76Å; H184-V199 HydrophobicContact CB-CG1 3.76Å; H184-I200 WeakPolarHBondContact CA-O 3.47Å; H184-W202 PolarHBondContact O-NE1 3.13Å; H184-Y830 AromaticContact CE1-CD2 3.82Å; H184-W831 AromaticContact CE1-CZ2 3.71Å; H184-Y1112 AromaticContact NE2-CE1 3.53Å
185M95.9Very high86.7Confident0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-107.8138.1156.663.7176.8-6800109.4L178 L180 V199 I200 W202 V205 V222 F231 M244L178-M185 HydrophobicContact CD1-CB 4.46Å; L178-M185 HydrophobicContact CD1-CE 3.75Å; L180-M185 HydrophobicContact CD2-CB 3.98Å; M185-V199 CarbonylContact O-C 3.58Å; M185-V199 WeakPolarHBondContact O-CA 3.44Å; M185-I200 HydrophobicContact CG-CB 3.7Å; M185-I200 HydrophobicContact CG-CG2 4.3Å; M185-I200 WeakPolarHBondContact CG-O 3.46Å; M185-I200 PolarHBondContact N-O 3.46Å; M185-I200 PolarHBondContact O-N 3.29Å; M185-I200 HydrophobicContact SD-CB 4.27Å; M185-I200 HydrophobicContact SD-CD1 4.29Å; M185-I200 HydrophobicContact SD-CG2 4.47Å; M185-W202 HydrophobicContact CB-CH2 3.66Å; M185-W202 HydrophobicContact CB-CZ2 3.8Å; M185-W202 HydrophobicContact CB-CZ3 4.08Å; M185-W202 HydrophobicContact CG-CH2 4.32Å; M185-W202 HydrophobicContact CG-CZ3 4.24Å; M185-W202 HydrophobicContact SD-CH2 4.37Å; M185-W202 HydrophobicContact SD-CZ3 3.99Å; M185-V205 HydrophobicContact SD-CG2 4.49Å; M185-V222 HydrophobicContact CE-CB 4.5Å; M185-V222 HydrophobicContact CE-CG1 4.35Å; M185-V222 HydrophobicContact CE-CG2 3.97Å; M185-V222 HydrophobicContact SD-CB 4.46Å; M185-V222 HydrophobicContact SD-CG1 3.73Å; M185-V222 HydrophobicContact SD-CG2 4.21Å; M185-F231 HydrophobicContact CE-CE2 3.81Å; M185-F231 HydrophobicContact CE-CZ 3.75Å; M185-M244 HydrophobicContact CE-CE 4.17Å; M185-M244 HydrophobicContact SD-CE 4.44Å
186A95.3Very high86.6Confident0 Ų032.1 Ų32.10%017%0.167CC..EExtended strand (participates in β ladder)trans-133.5141.4-179.200000110.2F147 F151 Y179 F198 V199F147-A186 HydrophobicContact CD2-CB 4.46Å; F147-A186 HydrophobicContact CE2-CB 4.02Å; F151-A186 HydrophobicContact CD1-CB 3.85Å; F151-A186 HydrophobicContact CD2-CB 3.78Å; F151-A186 HydrophobicContact CE1-CB 3.68Å; F151-A186 HydrophobicContact CE2-CB 3.63Å; F151-A186 HydrophobicContact CG-CB 3.89Å; F151-A186 HydrophobicContact CZ-CB 3.56Å; Y179-A186 PolarHBondContact N-O 3.18Å; Y179-A186 PolarHBondContact O-N 3.25Å; A186-F198 WeakPolarHBondContact CA-O 3.37Å; A186-V199 HydrophobicContact CB-CG2 4.08Å
187F95.3Very high86.6Confident0 Ų037 Ų370%019%0.186CC..EExtended strand (participates in β ladder)trans-130.1136.1-179.9179.6-94.8000110.7C167 R174 F177 L178 S189 V196 K197 F198 F231C167-F187 HydrophobicContact CB-CD1 3.86Å; C167-F187 HydrophobicContact CB-CD2 4.27Å; C167-F187 HydrophobicContact CB-CE1 3.38Å; C167-F187 HydrophobicContact CB-CE2 3.84Å; C167-F187 HydrophobicContact CB-CG 4.28Å; C167-F187 HydrophobicContact CB-CZ 3.37Å; R174-F187 WeakPolarHBondContact O-CZ 3.33Å; F177-F187 WeakPolarHBondContact O-CA 2.79Å; F177-F187 VanDerWaalsContact O-CD2 3.3Å; F177-F187 WeakPolarHBondContact O-CD2 3.35Å; L178-F187 HydrophobicContact CB-CD2 4.3Å; L178-F187 HydrophobicContact CD1-CB 4.48Å; F187-S189 VanDerWaalsContact CE1-CB 3.47Å; F187-V196 HydrophobicContact CD1-CG1 4.31Å; F187-V196 HydrophobicContact CE1-CG1 4.31Å; F187-K197 WeakPolarHBondContact O-CA 3.48Å; F187-F198 HydrophobicContact CB-CD1 4.36Å; F187-F198 HydrophobicContact CB-CD2 4.33Å; F187-F198 HydrophobicContact CB-CE1 3.75Å; F187-F198 HydrophobicContact CB-CE2 3.7Å; F187-F198 HydrophobicContact CB-CZ 3.38Å; F187-F198 HydrophobicContact CD1-CD1 4.4Å; F187-F198 AromaticContact CD1-CE1 3.57Å; F187-F198 HydrophobicContact CD1-CE1 3.57Å; F187-F198 AromaticContact CD1-CZ 3.91Å; F187-F198 HydrophobicContact CD1-CZ 3.91Å; F187-F198 HydrophobicContact CG-CE1 4.01Å; F187-F198 AromaticContact CG-CZ 3.87Å; F187-F198 HydrophobicContact CG-CZ 3.87Å; F187-F198 PolarHBondContact N-O 3.44Å; F187-F198 PolarHBondContact O-N 3.33Å; F187-F198 VanDerWaalsContact O-N 3.14Å; F187-F231 HydrophobicContact CB-CE1 4.24Å; F187-F231 HydrophobicContact CD2-CD1 4.26Å; F187-F231 AromaticContact CD2-CE1 3.75Å; F187-F231 HydrophobicContact CD2-CE1 3.75Å; F187-F231 HydrophobicContact CE2-CD1 4.49Å; F187-F231 HydrophobicContact CE2-CE1 4.33Å; F187-F231 AromaticContact CG-CE1 4Å; F187-F231 HydrophobicContact CG-CE1 4Å
188Y92.3Very high86.5Confident34 Ų3434.8 Ų34.813%0.13318%0.176CC..EExtended strand (participates in β ladder)trans-132.2129.9176179.2-93.4000110.9H150 G176 F177 F190 E195 V196 K197H150-Y188 HydrophobicContact CB-CD2 4.2Å; H150-Y188 AromaticContact CD2-CD1 3.93Å; H150-Y188 AromaticContact CD2-CD2 3.99Å; H150-Y188 AromaticContact CD2-CG 3.82Å; H150-Y188 AromaticContact CE1-CE1 3.82Å; H150-Y188 AromaticContact CE1-CE2 3.62Å; H150-Y188 AromaticContact CE1-CZ 3.44Å; H150-Y188 VanDerWaalsContact CE1-CZ 3.44Å; H150-Y188 AromaticContact CG-CD2 3.75Å; H150-Y188 AromaticContact CG-CE2 3.94Å; H150-Y188 AromaticContact ND1-CD2 3.85Å; H150-Y188 AromaticContact ND1-CE2 3.54Å; H150-Y188 AromaticContact ND1-CZ 3.87Å; H150-Y188 AromaticContact NE2-CD1 3.8Å; H150-Y188 AromaticContact NE2-CE1 3.61Å; H150-Y188 AromaticContact NE2-CZ 3.74Å; G176-Y188 CarbonylContact C-O 3.47Å; G176-Y188 WeakPolarHBondContact CA-O 3.42Å; F177-Y188 PolarHBondContact N-O 3.45Å; F177-Y188 PolarHBondContact O-N 3.46Å; Y188-F190 HydrophobicContact CE1-CB 4.2Å; Y188-E195 HydrophobicContact CE2-CG 3.97Å; Y188-E195 WeakPolarHBondContact CE2-OE1 3.42Å; Y188-V196 CarbonylContact C-O 3.55Å; Y188-V196 WeakPolarHBondContact CA-O 3.45Å; Y188-K197 HydrophobicContact CD2-CB 4.25Å; Y188-K197 HydrophobicContact CD2-CD 4.43Å; Y188-K197 HydrophobicContact CD2-CG 4.32Å
189S85.6Confident86.3Confident1 Ų137.2 Ų37.21%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-141.3136.3172.1158.70000109.3Q175 F187 E195 V196Q175-S189 WeakPolarHBondContact O-CB 3.44Å; Q175-S189 PolarHBondContact O-OG 3.5Å; F187-S189 VanDerWaalsContact CE1-CB 3.47Å; S189-E195 CarbonylContact O-C 3.54Å; S189-E195 WeakPolarHBondContact O-CA 3.33Å; S189-V196 PolarHBondContact N-O 3.43Å; S189-V196 PolarHBondContact O-N 3.24Å
190F77.1Confident86.2Confident69 Ų6937.6 Ų37.630%0.30319%0.193SC..EExtended strand (participates in β ladder)trans-130.3110.1167.7-174.9-96.8000108.9Y188 E195Y188-F190 HydrophobicContact CE1-CB 4.2Å; F190-E195 HydrophobicContact CD2-CB 3.88Å; F190-E195 HydrophobicContact CD2-CG 4.36Å; F190-E195 HydrophobicContact CE2-CB 4.42Å
191L69.2Low86Confident46 Ų4637.8 Ų37.824%0.24120%0.195CC..EExtended strand (participates in β ladder)trans-140.1126.9-175.8-167.875.1000109.7T51 G193 K194T51-L191 HydrophobicContact CG2-CD1 4Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.47Å; L191-K194 PolarHBondContact N-O 3.29Å; L191-K194 VanDerWaalsContact N-O 3.11Å; L191-K194 PolarHBondContact O-N 3.05Å; L191-K194 VanDerWaalsContact O-N 3.1Å
192L65.2Low85.9Confident122 Ų12237.8 Ų37.864%0.63920%0.195SC*.THydrogen-bonded Turntrans54.143.8179.5-59.4171.4000113.5K194L192-K194 PolarHBondContact O-N 3.02Å
193G63.3Low85.9Confident48 Ų4838.1 Ų38.150%0.49520%0.197SC..THydrogen-bonded Turntrans72.74.6-179.800000115.1L191L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.47Å
194K71.5Confident85.9Confident128 Ų12841.7 Ų41.756%0.55721%0.214SC*.EExtended strand (participates in β ladder)trans-106.2116.9176.1-66-172.1177.7-176.50110.4L191 L192L191-K194 PolarHBondContact N-O 3.29Å; L191-K194 VanDerWaalsContact N-O 3.11Å; L191-K194 PolarHBondContact O-N 3.05Å; L191-K194 VanDerWaalsContact O-N 3.1Å; L192-K194 PolarHBondContact O-N 3.02Å
195E82.1Confident85.9Confident108 Ų10841.7 Ų41.751%0.50521%0.214SC..EExtended strand (participates in β ladder)trans-85.5134.8171.9-165.9-180-179.700110.7Y188 S189 F190 K197Y188-E195 HydrophobicContact CE2-CG 3.97Å; Y188-E195 WeakPolarHBondContact CE2-OE1 3.42Å; S189-E195 CarbonylContact O-C 3.54Å; S189-E195 WeakPolarHBondContact O-CA 3.33Å; F190-E195 HydrophobicContact CD2-CB 3.88Å; F190-E195 HydrophobicContact CD2-CG 4.36Å; F190-E195 HydrophobicContact CE2-CB 4.42Å; E195-K197 HydrophobicContact CG-CB 4.49Å
196V85.8Confident85.7Confident36 Ų3643 Ų4322%0.21822%0.222CC..EExtended strand (participates in β ladder)trans-126.3114.5168.8179.40000106.9R174 F187 Y188 S189 F198R174-V196 HydrophobicContact CG-CG2 4.15Å; F187-V196 HydrophobicContact CD1-CG1 4.31Å; F187-V196 HydrophobicContact CE1-CG1 4.31Å; Y188-V196 CarbonylContact C-O 3.55Å; Y188-V196 WeakPolarHBondContact CA-O 3.45Å; S189-V196 PolarHBondContact N-O 3.43Å; S189-V196 PolarHBondContact O-N 3.24Å; V196-F198 HydrophobicContact CG1-CD1 4.15Å; V196-F198 HydrophobicContact CG1-CE1 4.07Å
197K89.2Confident85.5Confident108 Ų10847.3 Ų47.347%0.4724%0.238SC..EExtended strand (participates in β ladder)trans-139131.6-177.8-179-180130-179.20109.5H150 F151 F187 Y188 E195H150-K197 VanDerWaalsContact O-CD 3.28Å; H150-K197 WeakPolarHBondContact O-CD 3.38Å; H150-K197 WeakPolarHBondContact O-CE 3.34Å; H150-K197 PolarHBondContact O-NZ 3Å; F151-K197 HydrophobicContact CD1-CG 4.06Å; F151-K197 HydrophobicContact CE1-CG 3.71Å; F187-K197 WeakPolarHBondContact O-CA 3.48Å; Y188-K197 HydrophobicContact CD2-CB 4.25Å; Y188-K197 HydrophobicContact CD2-CD 4.43Å; Y188-K197 HydrophobicContact CD2-CG 4.32Å; E195-K197 HydrophobicContact CG-CB 4.49Å
198F90.3Very high85.3Confident23 Ų2347.5 Ų47.510%0.10124%0.239CC..EExtended strand (participates in β ladder)trans-159.5157.2172.657-92.1000111.6A186 F187 V196 I200 R229 F231A186-F198 WeakPolarHBondContact CA-O 3.37Å; F187-F198 HydrophobicContact CB-CD1 4.36Å; F187-F198 HydrophobicContact CB-CD2 4.33Å; F187-F198 HydrophobicContact CB-CE1 3.75Å; F187-F198 HydrophobicContact CB-CE2 3.7Å; F187-F198 HydrophobicContact CB-CZ 3.38Å; F187-F198 HydrophobicContact CD1-CD1 4.4Å; F187-F198 AromaticContact CD1-CE1 3.57Å; F187-F198 HydrophobicContact CD1-CE1 3.57Å; F187-F198 AromaticContact CD1-CZ 3.91Å; F187-F198 HydrophobicContact CD1-CZ 3.91Å; F187-F198 HydrophobicContact CG-CE1 4.01Å; F187-F198 AromaticContact CG-CZ 3.87Å; F187-F198 HydrophobicContact CG-CZ 3.87Å; F187-F198 PolarHBondContact N-O 3.44Å; F187-F198 PolarHBondContact O-N 3.33Å; F187-F198 VanDerWaalsContact O-N 3.14Å; V196-F198 HydrophobicContact CG1-CD1 4.15Å; V196-F198 HydrophobicContact CG1-CE1 4.07Å; F198-I200 HydrophobicContact CD2-CD1 3.85Å; F198-I200 HydrophobicContact CD2-CG1 3.97Å; F198-I200 HydrophobicContact CE2-CD1 3.78Å; F198-I200 HydrophobicContact CE2-CG1 4.38Å; F198-R229 VanDerWaalsContact CE2-CD 3.47Å; F198-F231 HydrophobicContact CE2-CZ 4.16Å; F198-F231 HydrophobicContact CZ-CE1 4.17Å; F198-F231 AromaticContact CZ-CZ 3.83Å; F198-F231 HydrophobicContact CZ-CZ 3.83Å
199V91.9Very high85.2Confident51 Ų5147.4 Ų47.431%0.30924%0.24SC..EExtended strand (participates in β ladder)trans-122.8138.2172.1-175.80000107.2F151 L153 H184 M185 A186F151-V199 HydrophobicContact CB-CG2 3.93Å; F151-V199 HydrophobicContact CD1-CG2 3.42Å; F151-V199 VanDerWaalsContact CD1-CG2 3.42Å; F151-V199 HydrophobicContact CE1-CG2 4.23Å; F151-V199 HydrophobicContact CG-CG2 3.93Å; L153-V199 HydrophobicContact CD1-CG1 4.4Å; H184-V199 HydrophobicContact CB-CG1 3.76Å; M185-V199 CarbonylContact O-C 3.58Å; M185-V199 WeakPolarHBondContact O-CA 3.44Å; A186-V199 HydrophobicContact CB-CG2 4.08Å
200I92.9Very high85.4Confident11 Ų1152.7 Ų52.76%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-128.7118.3175.8-61.5167.4000106.8H184 M185 F198 E204 V205 T224H184-I200 WeakPolarHBondContact CA-O 3.47Å; M185-I200 HydrophobicContact CG-CB 3.7Å; M185-I200 HydrophobicContact CG-CG2 4.3Å; M185-I200 WeakPolarHBondContact CG-O 3.46Å; M185-I200 PolarHBondContact N-O 3.46Å; M185-I200 PolarHBondContact O-N 3.29Å; M185-I200 HydrophobicContact SD-CB 4.27Å; M185-I200 HydrophobicContact SD-CD1 4.29Å; M185-I200 HydrophobicContact SD-CG2 4.47Å; F198-I200 HydrophobicContact CD2-CD1 3.85Å; F198-I200 HydrophobicContact CD2-CG1 3.97Å; F198-I200 HydrophobicContact CE2-CD1 3.78Å; F198-I200 HydrophobicContact CE2-CG1 4.38Å; I200-E204 HydrophobicContact CG2-CB 4.36Å; I200-V205 HydrophobicContact CG2-CG2 3.99Å; I200-T224 HydrophobicContact CD1-CG2 4.49Å; I200-T224 HydrophobicContact CG2-CG2 3.71Å
201P92.8Very high85.9Confident5 Ų550.2 Ų50.23%0.03225%0.25CS..EExtended strand (participates in β ladder)trans-62.5140.8170.3-1830.8000110.3A203 E204 Y1112P201-A203 PolarHBondContact O-N 3.45Å; P201-A203 VanDerWaalsContact O-N 3.17Å; P201-E204 HydrophobicContact CB-CG 4.33Å; P201-E204 HydrophobicContact CG-CG 4.16Å; P201-E204 PolarHBondContact O-N 3.16Å; P201-Y1112 HydrophobicContact CG-CE2 4.48Å; P201-Y1112 WeakPolarHBondContact CG-OH 3.3Å
202W93.5Very high86.6Confident0 Ų052.4 Ų52.40%027%0.269CS..G310 helixtrans-59.1-29.3174.8-65.9125.4000112L180 S181 N183 H184 M185 E204 V205 M244 L247 A248 T251L180-W202 HydrophobicContact CB-CZ2 4.35Å; L180-W202 HydrophobicContact CD2-CH2 3.84Å; L180-W202 HydrophobicContact CD2-CZ2 3.89Å; S181-W202 PolarHBondContact O-NE1 3.05Å; N183-W202 VanDerWaalsContact O-CD1 3.27Å; N183-W202 PolarHBondContact O-N 3.08Å; H184-W202 PolarHBondContact O-NE1 3.13Å; M185-W202 HydrophobicContact CB-CH2 3.66Å; M185-W202 HydrophobicContact CB-CZ2 3.8Å; M185-W202 HydrophobicContact CB-CZ3 4.08Å; M185-W202 HydrophobicContact CG-CH2 4.32Å; M185-W202 HydrophobicContact CG-CZ3 4.24Å; M185-W202 HydrophobicContact SD-CH2 4.37Å; M185-W202 HydrophobicContact SD-CZ3 3.99Å; W202-E204 PolarHBondContact O-N 3.04Å; W202-V205 HydrophobicContact CE3-CG2 4.02Å; W202-V205 WeakPolarHBondContact O-CB 3.26Å; W202-V205 PolarHBondContact O-N 3.1Å; W202-V205 VanDerWaalsContact O-N 3.09Å; W202-M244 HydrophobicContact CH2-CB 4.11Å; W202-M244 HydrophobicContact CH2-CE 4.47Å; W202-M244 HydrophobicContact CH2-CG 4.06Å; W202-M244 HydrophobicContact CZ3-CB 4.45Å; W202-L247 HydrophobicContact CD2-CB 4.35Å; W202-L247 HydrophobicContact CZ2-CB 3.85Å; W202-L247 HydrophobicContact CZ2-CD1 3.89Å; W202-A248 HydrophobicContact CE3-CB 4Å; W202-T251 HydrophobicContact CB-CG2 3.8Å
203A90Very high86.8Confident8 Ų849.1 Ų49.17%0.06625%0.254CS..G310 helixtrans-62-20.7174.100000114.3P201 L255 Q789 F826 Y830P201-A203 PolarHBondContact O-N 3.45Å; P201-A203 VanDerWaalsContact O-N 3.17Å; A203-L255 HydrophobicContact CB-CD1 3.85Å; A203-Q789 PolarHBondContact O-NE2 3.42Å; A203-F826 HydrophobicContact CB-CD2 3.96Å; A203-F826 HydrophobicContact CB-CE2 3.96Å; A203-Y830 WeakPolarHBondContact CB-OH 3.44Å
204E90.8Very high86.9Confident77 Ų7752.4 Ų52.436%0.3628%0.277SS..G310 helixtrans-90.6-12.3175.9-68.9-172.4-163.300113.5I200 P201 W202 T206 T224I200-E204 HydrophobicContact CG2-CB 4.36Å; P201-E204 HydrophobicContact CB-CG 4.33Å; P201-E204 HydrophobicContact CG-CG 4.16Å; P201-E204 PolarHBondContact O-N 3.16Å; W202-E204 PolarHBondContact O-N 3.04Å; E204-T206 PolarHBondContact O-N 3.26Å; E204-T224 HydrophobicContact CB-CG2 4.41Å; E204-T224 WeakPolarHBondContact O-CA 3.34Å; E204-T224 WeakPolarHBondContact O-CB 3.5Å
205V93.5Very high86.4Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-76.2115.1-178.2179.60000109.1M185 I200 W202 L208 V222 Q789M185-V205 HydrophobicContact SD-CG2 4.49Å; I200-V205 HydrophobicContact CG2-CG2 3.99Å; W202-V205 HydrophobicContact CE3-CG2 4.02Å; W202-V205 WeakPolarHBondContact O-CB 3.26Å; W202-V205 PolarHBondContact O-N 3.1Å; W202-V205 VanDerWaalsContact O-N 3.09Å; V205-L208 HydrophobicContact CG1-CD1 4.36Å; V205-L208 HydrophobicContact CG1-CD2 3.86Å; V205-L208 HydrophobicContact CG1-CG 3.74Å; V205-V222 HydrophobicContact CG1-CG1 4.11Å; V205-V222 HydrophobicContact CG2-CG1 4.08Å; V205-Q789 PolarHBondContact O-NE2 3.44Å
206T92Very high85.8Confident27 Ų2748.2 Ų48.217%0.16626%0.263CS..EExtended strand (participates in β ladder)trans-94.1-31.6178.957.20000112E204 T223 R225E204-T206 PolarHBondContact O-N 3.26Å; T206-T223 PolarHBondContact N-O 3.42Å; T206-T223 PolarHBondContact OG1-O 3.5Å; T206-T223 VanDerWaalsContact OG1-O 3.12Å; T206-R225 HydrophobicContact CG2-CG 3.73Å
207R90.4Very high84.8Confident92 Ų9252.5 Ų52.535%0.34729%0.289SS..EExtended strand (participates in β ladder)trans-146.4138-180-147.8178.6178-176.5-8111.5E209 T223 R786R207-E209 WeakPolarHBondContact CD-OE2 3.47Å; R207-E209 HydrophobicContact CG-CG 3.81Å; R207-E209 IonicContact CZ-OE1 2.62Å; R207-E209 IonicContact CZ-OE2 2.64Å; R207-E209 IonicContact NE-OE1 3.97Å; R207-E209 PolarHBondContact NE-OE1 2.72Å; R207-E209 IonicContact NE-OE2 2.88Å; R207-E209 PolarHBondContact NE-OE2 2.69Å; R207-E209 IonicContact NH1-OE1 3.68Å; R207-E209 IonicContact NH1-OE2 3.18Å; R207-E209 IonicContact NH2-OE1 2.7Å; R207-E209 PolarHBondContact NH2-OE1 3.12Å; R207-T223 PolarHBondContact N-O 2.91Å; R207-T223 PolarHBondContact O-N 2.95Å; R207-R786 HydrophobicContact CG-CG 4.35Å
208L92.4Very high84.5Confident3 Ų353.3 Ų53.32%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-120.4131167-70.2173.4000107.4V205 R221 V222 F241 M244 R245 A248 L782V205-L208 HydrophobicContact CG1-CD1 4.36Å; V205-L208 HydrophobicContact CG1-CD2 3.86Å; V205-L208 HydrophobicContact CG1-CG 3.74Å; L208-R221 WeakPolarHBondContact CA-O 3.47Å; L208-V222 HydrophobicContact CD2-CB 4.17Å; L208-V222 HydrophobicContact CD2-CG1 3.98Å; L208-V222 HydrophobicContact CD2-CG2 3.68Å; L208-F241 HydrophobicContact CB-CE2 4.11Å; L208-M244 HydrophobicContact CD1-CB 4.46Å; L208-M244 HydrophobicContact CD2-CE 4.09Å; L208-R245 HydrophobicContact CD1-CG 4.27Å; L208-A248 HydrophobicContact CD1-CB 3.85Å; L208-L782 HydrophobicContact CB-CD1 4.43Å; L208-L782 WeakPolarHBondContact O-CD1 3.41Å
209E89.9Confident84.6Confident32 Ų3252.2 Ų52.215%0.1529%0.29CS..EExtended strand (participates in β ladder)trans-144.2152-178-57.5-175.199.400111.6R207 V211 I220 R221R207-E209 WeakPolarHBondContact CD-OE2 3.47Å; R207-E209 HydrophobicContact CG-CG 3.81Å; R207-E209 IonicContact CZ-OE1 2.62Å; R207-E209 IonicContact CZ-OE2 2.64Å; R207-E209 IonicContact NE-OE1 3.97Å; R207-E209 PolarHBondContact NE-OE1 2.72Å; R207-E209 IonicContact NE-OE2 2.88Å; R207-E209 PolarHBondContact NE-OE2 2.69Å; R207-E209 IonicContact NH1-OE1 3.68Å; R207-E209 IonicContact NH1-OE2 3.18Å; R207-E209 IonicContact NH2-OE1 2.7Å; R207-E209 PolarHBondContact NH2-OE1 3.12Å; E209-V211 HydrophobicContact CB-CG1 4.14Å; E209-I220 CarbonylContact O-C 3.57Å; E209-I220 WeakPolarHBondContact O-CA 3.38Å; E209-R221 HydrophobicContact CB-CB 4.42Å; E209-R221 PolarHBondContact N-O 3.04Å; E209-R221 PolarHBondContact O-N 3.01Å
210R89.6Confident84.7Confident113 Ų11349.8 Ų49.843%0.42628%0.276SS..EExtended strand (participates in β ladder)trans-88.8131.7161.2-67-175-179-169.8-0.7108.4A219 L237 D238 F241R210-A219 WeakPolarHBondContact CA-O 3.41Å; R210-L237 HydrophobicContact CG-CD2 4.42Å; R210-D238 IonicContact CZ-OD1 3.43Å; R210-D238 IonicContact NH1-OD1 3.84Å; R210-D238 PolarHBondContact NH1-OD1 2.95Å; R210-D238 IonicContact NH2-OD1 2.75Å; R210-D238 PolarHBondContact NH2-OD1 3.45Å; R210-F241 HydrophobicContact CG-CD1 3.89Å; R210-F241 HydrophobicContact CG-CD2 4.4Å; R210-F241 HydrophobicContact CG-CE1 3.74Å; R210-F241 HydrophobicContact CG-CE2 4.27Å; R210-F241 HydrophobicContact CG-CG 4.22Å; R210-F241 HydrophobicContact CG-CZ 3.95Å
211V87.7Confident84.7Confident17 Ų1752 Ų5210%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-133.5138.9-180-60.40000109.9E209 A219 R221E209-V211 HydrophobicContact CB-CG1 4.14Å; V211-A219 HydrophobicContact CG2-CB 3.96Å; V211-A219 PolarHBondContact N-O 3.19Å; V211-A219 PolarHBondContact O-N 3.49Å; V211-R221 HydrophobicContact CG1-CB 3.93Å; V211-R221 HydrophobicContact CG2-CB 3.94Å
212S83.1Confident84.8Confident91 Ų9151.8 Ų51.864%0.63628%0.282SS*.EExtended strand (participates in β ladder)trans-118.6128.1170.3-58.60000107M216 T217S212-M216 CarbonylContact C-O 3.52Å; S212-M216 WeakPolarHBondContact CA-O 3.38Å; S212-T217 WeakPolarHBondContact CB-O 3.46Å; S212-T217 PolarHBondContact OG-O 3.43Å
213T69.6Low84.9Confident54 Ų5453.1 Ų53.133%0.33129%0.29SS..EExtended strand (participates in β ladder)trans-123.3163.9176.261.90000108.8L215 M216T213-L215 PolarHBondContact O-N 3Å; T213-M216 HydrophobicContact CG2-CE 4.48Å; T213-M216 PolarHBondContact N-O 3.01Å; T213-M216 CarbonylContact O-C 3.56Å; T213-M216 PolarHBondContact O-N 3.23Å; T213-M216 WeakPolarHBondContact OG1-CE 3.47Å; T213-M216 PolarHBondContact OG1-N 3.41Å
214A65.3Low85Confident117 Ų11753.4 Ų53.497%0.96729%0.291SS*.THydrogen-bonded Turntrans-54.6-20.317900000114.2
215L62.7Low84.8Confident128 Ų12854 Ų5467%0.6729%0.29SS*.THydrogen-bonded Turntrans-100.9-13.5177.6-69.2166.4000113.9R171 T213R171-L215 HydrophobicContact CG-CD1 4.43Å; T213-L215 PolarHBondContact O-N 3Å
216M69.3Low84.4Confident19 Ų1960.4 Ų60.49%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-142.2114.1-173-64.6179.6-75.600110.2W168 S212 T213 E218 A219 E230W168-M216 HydrophobicContact CD2-SD 3.69Å; W168-M216 HydrophobicContact CE3-SD 4.35Å; W168-M216 HydrophobicContact CG-SD 3.91Å; W168-M216 HydrophobicContact CH2-CG 4.38Å; W168-M216 HydrophobicContact CH2-SD 4.47Å; W168-M216 HydrophobicContact CZ2-CG 3.98Å; W168-M216 HydrophobicContact CZ2-SD 3.84Å; W168-M216 PolarHBondContact NE1-SD 3.08Å; S212-M216 CarbonylContact C-O 3.52Å; S212-M216 WeakPolarHBondContact CA-O 3.38Å; T213-M216 HydrophobicContact CG2-CE 4.48Å; T213-M216 PolarHBondContact N-O 3.01Å; T213-M216 CarbonylContact O-C 3.56Å; T213-M216 PolarHBondContact O-N 3.23Å; T213-M216 WeakPolarHBondContact OG1-CE 3.47Å; T213-M216 PolarHBondContact OG1-N 3.41Å; M216-E218 PolarHBondContact O-N 3.38Å; M216-A219 HydrophobicContact SD-CB 4.32Å; M216-E230 WeakPolarHBondContact CE-OE2 3.27Å
217T64.6Low84.3Confident126 Ų12666.9 Ų66.977%0.77334%0.339SS*.EExtended strand (participates in β ladder)trans-72.2-29.9-176.747.30000112.5S212S212-T217 WeakPolarHBondContact CB-O 3.46Å; S212-T217 PolarHBondContact OG-O 3.43Å
218E83.1Confident84.4Confident125 Ų12567.5 Ų67.558%0.58435%0.346SS*.EExtended strand (participates in β ladder)trans-152.6114.4177.5-55.1-174.6151.100111.7M216 S232 L237M216-E218 PolarHBondContact O-N 3.38Å; E218-S232 WeakPolarHBondContact O-CB 3.2Å; E218-L237 HydrophobicContact CB-CD1 3.75Å
219A90.8Very high84.4Confident1 Ų169.5 Ų69.51%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-135.4153.3177.800000111.7R210 V211 M216 F231R210-A219 WeakPolarHBondContact CA-O 3.41Å; V211-A219 HydrophobicContact CG2-CB 3.96Å; V211-A219 PolarHBondContact N-O 3.19Å; V211-A219 PolarHBondContact O-N 3.49Å; M216-A219 HydrophobicContact SD-CB 4.32Å; A219-F231 CarbonylContact C-O 3.57Å; A219-F231 WeakPolarHBondContact CA-O 3.43Å; A219-F231 VanDerWaalsContact CB-O 3.3Å; A219-F231 WeakPolarHBondContact CB-O 3.34Å
220I94.1Very high84.6Confident0 Ų069.6 Ų69.60%035%0.354CS..EExtended strand (participates in β ladder)trans-98.7120.7169.7-58.4173.4000107.8E209 V222 E230 F231 F234 L237 A240 F241 M244E209-I220 CarbonylContact O-C 3.57Å; E209-I220 WeakPolarHBondContact O-CA 3.38Å; I220-V222 HydrophobicContact CG2-CG2 4.33Å; I220-E230 CarbonylContact O-C 3.56Å; I220-E230 WeakPolarHBondContact O-CA 3.38Å; I220-F231 PolarHBondContact N-O 3Å; I220-F231 PolarHBondContact O-N 3.42Å; I220-F234 HydrophobicContact CB-CE2 4.3Å; I220-F234 HydrophobicContact CD1-CD2 4.22Å; I220-F234 HydrophobicContact CD1-CE2 3.66Å; I220-F234 HydrophobicContact CD1-CZ 3.84Å; I220-F234 HydrophobicContact CG1-CE2 3.98Å; I220-L237 HydrophobicContact CD1-CG 4.36Å; I220-L237 HydrophobicContact CG1-CD1 4.26Å; I220-L237 HydrophobicContact CG1-CG 4.2Å; I220-A240 HydrophobicContact CD1-CB 4.33Å; I220-F241 HydrophobicContact CB-CD2 4.4Å; I220-F241 HydrophobicContact CD1-CB 3.72Å; I220-F241 HydrophobicContact CD1-CD2 3.98Å; I220-F241 HydrophobicContact CD1-CG 4.32Å; I220-F241 HydrophobicContact CG1-CB 4.24Å; I220-F241 HydrophobicContact CG1-CD2 3.89Å; I220-F241 HydrophobicContact CG1-CG 4.42Å; I220-F241 HydrophobicContact CG2-CD2 3.73Å; I220-F241 HydrophobicContact CG2-CE2 4.06Å; I220-M244 HydrophobicContact CD1-SD 3.93Å; I220-M244 HydrophobicContact CG2-CE 4.06Å; I220-M244 HydrophobicContact CG2-SD 4.12Å
221R93.7Very high84.8Confident57 Ų5764.2 Ų64.222%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-96.5127172.2-178.2-179.8-72171.8-3.7109.4L208 E209 V211 Q228 R229 E230L208-R221 WeakPolarHBondContact CA-O 3.47Å; E209-R221 HydrophobicContact CB-CB 4.42Å; E209-R221 PolarHBondContact N-O 3.04Å; E209-R221 PolarHBondContact O-N 3.01Å; V211-R221 HydrophobicContact CG1-CB 3.93Å; V211-R221 HydrophobicContact CG2-CB 3.94Å; R221-Q228 HydrophobicContact CG-CG 3.72Å; R221-Q228 VanDerWaalsContact CZ-NE2 3.35Å; R221-R229 WeakPolarHBondContact CA-O 3.4Å; R221-E230 HydrophobicContact CB-CG 4.27Å; R221-E230 HydrophobicContact CG-CG 4.19Å; R221-E230 IonicContact CZ-OE1 2.79Å; R221-E230 IonicContact NE-OE1 2.93Å; R221-E230 PolarHBondContact NE-OE1 2.74Å; R221-E230 IonicContact NH2-OE1 3.47Å; R221-E230 PolarHBondContact NH2-OE1 3.42Å
222V95.1Very high85Confident1 Ų163.6 Ų63.61%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-112.2121.7173-174.70000108.3M185 V205 L208 I220 Q228 R229 F231 M244M185-V222 HydrophobicContact CE-CB 4.5Å; M185-V222 HydrophobicContact CE-CG1 4.35Å; M185-V222 HydrophobicContact CE-CG2 3.97Å; M185-V222 HydrophobicContact SD-CB 4.46Å; M185-V222 HydrophobicContact SD-CG1 3.73Å; M185-V222 HydrophobicContact SD-CG2 4.21Å; V205-V222 HydrophobicContact CG1-CG1 4.11Å; V205-V222 HydrophobicContact CG2-CG1 4.08Å; L208-V222 HydrophobicContact CD2-CB 4.17Å; L208-V222 HydrophobicContact CD2-CG1 3.98Å; L208-V222 HydrophobicContact CD2-CG2 3.68Å; I220-V222 HydrophobicContact CG2-CG2 4.33Å; V222-Q228 WeakPolarHBondContact O-CA 3.25Å; V222-R229 PolarHBondContact N-O 3.09Å; V222-R229 PolarHBondContact O-N 3.45Å; V222-F231 HydrophobicContact CB-CE2 4.26Å; V222-F231 HydrophobicContact CG2-CD2 4.01Å; V222-F231 HydrophobicContact CG2-CE2 3.77Å; V222-M244 HydrophobicContact CG2-CE 3.56Å
223T94.5Very high85.3Confident28 Ų2865.9 Ų65.917%0.17233%0.332CS..EExtended strand (participates in β ladder)trans-113.6131178.3-53.70000109.4T206 R207T206-T223 PolarHBondContact N-O 3.42Å; T206-T223 PolarHBondContact OG1-O 3.5Å; T206-T223 VanDerWaalsContact OG1-O 3.12Å; R207-T223 PolarHBondContact N-O 2.91Å; R207-T223 PolarHBondContact O-N 2.95Å
224T93.4Very high86.2Confident14 Ų1464.5 Ų64.59%0.08632%0.321CS..EExtended strand (participates in β ladder)trans-114.4170.1165.876.60000108.9I200 E204 K226 R227I200-T224 HydrophobicContact CD1-CG2 4.49Å; I200-T224 HydrophobicContact CG2-CG2 3.71Å; E204-T224 HydrophobicContact CB-CG2 4.41Å; E204-T224 WeakPolarHBondContact O-CA 3.34Å; E204-T224 WeakPolarHBondContact O-CB 3.5Å; T224-K226 PolarHBondContact O-N 3.33Å; T224-K226 PolarHBondContact OG1-N 3.06Å; T224-R227 PolarHBondContact N-O 3.21Å; T224-R227 PolarHBondContact O-N 3.25Å; T224-R227 PolarHBondContact OG1-N 3.2Å; T224-R227 VanDerWaalsContact OG1-N 3.14Å; T224-R227 PolarHBondContact OG1-O 3.49Å
225R87.1Confident87.2Confident89 Ų8967.3 Ų67.334%0.33632%0.32SS..SBendtrans-54.5-26.5177.3-65.4-176.3177.978.41.3113.7T206 D793T206-R225 HydrophobicContact CG2-CG 3.73Å; R225-D793 IonicContact CZ-OD1 3.89Å; R225-D793 VanDerWaalsContact CZ-OD1 3.25Å; R225-D793 IonicContact NE-OD1 3.99Å; R225-D793 PolarHBondContact NE-OD1 3.43Å; R225-D793 IonicContact NH2-OD1 3.96Å; R225-D793 PolarHBondContact NH2-OD1 2.87Å; R225-D793 IonicContact NH2-OD2 3.62Å
226K84.8Confident88.5Confident135 Ų13564.5 Ų64.559%0.58731%0.305SS*.SBendtrans-111.1-23.7-174.5-60.6-172.8179.7-173.50114.1T224 D816T224-K226 PolarHBondContact O-N 3.33Å; T224-K226 PolarHBondContact OG1-N 3.06Å; K226-D816 IonicContact NZ-OD1 3.52Å; K226-D816 PolarHBondContact NZ-OD1 3.27Å
227R90.1Very high89.5Confident163 Ų16364.5 Ų64.562%0.61531%0.305SS*.  trans-147.1147.5-169.4-64.1-172.5-179.1-176.23.7112T224T224-R227 PolarHBondContact N-O 3.21Å; T224-R227 PolarHBondContact O-N 3.25Å; T224-R227 PolarHBondContact OG1-N 3.2Å; T224-R227 VanDerWaalsContact OG1-N 3.14Å; T224-R227 PolarHBondContact OG1-O 3.49Å
228Q92.4Very high90.7Very high105 Ų10563.2 Ų63.249%0.49129%0.294SS..EExtended strand (participates in β ladder)trans-116.6138.7168.3-175.4-178.5-43.900109.5R221 V222R221-Q228 HydrophobicContact CG-CG 3.72Å; R221-Q228 VanDerWaalsContact CZ-NE2 3.35Å; V222-Q228 WeakPolarHBondContact O-CA 3.25Å
229R92.3Very high91.1Very high45 Ų4560 Ų6017%0.1728%0.279CS..EExtended strand (participates in β ladder)trans-136.7141.3179.5-60.3-176.6-176.4-96.712110.2F198 R221 V222 F231F198-R229 VanDerWaalsContact CE2-CD 3.47Å; R221-R229 WeakPolarHBondContact CA-O 3.4Å; V222-R229 PolarHBondContact N-O 3.09Å; V222-R229 PolarHBondContact O-N 3.45Å; R229-F231 HydrophobicContact CB-CE2 3.85Å; R229-F231 HydrophobicContact CB-CZ 4.23Å
230E93.4Very high91.3Very high33 Ų3359.9 Ų59.915%0.15428%0.278CS..EExtended strand (participates in β ladder)trans-118.3135.8-179.8-64.8179.1169.200109.9C167 W168 M216 I220 R221C167-E230 WeakPolarHBondContact CA-O 3.46Å; W168-E230 HydrophobicContact CB-CB 4.36Å; W168-E230 PolarHBondContact N-O 2.85Å; M216-E230 WeakPolarHBondContact CE-OE2 3.27Å; I220-E230 CarbonylContact O-C 3.56Å; I220-E230 WeakPolarHBondContact O-CA 3.38Å; R221-E230 HydrophobicContact CB-CG 4.27Å; R221-E230 HydrophobicContact CG-CG 4.19Å; R221-E230 IonicContact CZ-OE1 2.79Å; R221-E230 IonicContact NE-OE1 2.93Å; R221-E230 PolarHBondContact NE-OE1 2.74Å; R221-E230 IonicContact NH2-OE1 3.47Å; R221-E230 PolarHBondContact NH2-OE1 3.42Å
231F93.9Very high91.2Very high0 Ų060.2 Ų60.20%028%0.279CS..EExtended strand (participates in β ladder)trans-123.9131.3-178.7-59.3-93.1000109.7C166 C167 L178 M185 F187 F198 A219 I220 V222 R229 F234C166-F231 CarbonylContact O-C 3.57Å; C166-F231 WeakPolarHBondContact O-CA 3.21Å; C167-F231 HydrophobicContact CB-CD1 3.96Å; C167-F231 HydrophobicContact CB-CE1 3.81Å; L178-F231 HydrophobicContact CD1-CE1 4.22Å; L178-F231 HydrophobicContact CD1-CZ 4.46Å; M185-F231 HydrophobicContact CE-CE2 3.81Å; M185-F231 HydrophobicContact CE-CZ 3.75Å; F187-F231 HydrophobicContact CB-CE1 4.24Å; F187-F231 HydrophobicContact CD2-CD1 4.26Å; F187-F231 AromaticContact CD2-CE1 3.75Å; F187-F231 HydrophobicContact CD2-CE1 3.75Å; F187-F231 HydrophobicContact CE2-CD1 4.49Å; F187-F231 HydrophobicContact CE2-CE1 4.33Å; F187-F231 AromaticContact CG-CE1 4Å; F187-F231 HydrophobicContact CG-CE1 4Å; F198-F231 HydrophobicContact CE2-CZ 4.16Å; F198-F231 HydrophobicContact CZ-CE1 4.17Å; F198-F231 AromaticContact CZ-CZ 3.83Å; F198-F231 HydrophobicContact CZ-CZ 3.83Å; A219-F231 CarbonylContact C-O 3.57Å; A219-F231 WeakPolarHBondContact CA-O 3.43Å; A219-F231 VanDerWaalsContact CB-O 3.3Å; A219-F231 WeakPolarHBondContact CB-O 3.34Å; I220-F231 PolarHBondContact N-O 3Å; I220-F231 PolarHBondContact O-N 3.42Å; V222-F231 HydrophobicContact CB-CE2 4.26Å; V222-F231 HydrophobicContact CG2-CD2 4.01Å; V222-F231 HydrophobicContact CG2-CE2 3.77Å; R229-F231 HydrophobicContact CB-CE2 3.85Å; R229-F231 HydrophobicContact CB-CZ 4.23Å; F231-F234 HydrophobicContact CB-CE2 3.65Å; F231-F234 HydrophobicContact CB-CZ 3.61Å; F231-F234 WeakPolarHBondContact O-CE2 3.34Å
232S92.5Very high91.1Very high4 Ų458.2 Ų58.23%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-140.4-174.6176.974.60000111.6C165 C166 W168 E218 F234C165-S232 WeakPolarHBondContact CB-O 3.48Å; C166-S232 PolarHBondContact N-O 3.19Å; C166-S232 PolarHBondContact O-N 3.44Å; W168-S232 PolarHBondContact NE1-OG 2.92Å; E218-S232 WeakPolarHBondContact O-CB 3.2Å; S232-F234 VanDerWaalsContact C-N 3.31Å; S232-F234 PolarHBondContact O-N 3.34Å
233M88.1Confident91Very high140 Ų14058.5 Ų58.569%0.6928%0.278SS*.  trans6335.5179.8-51.4-67.3-72.600113C166C166-M233 HydrophobicContact CB-CB 4.48Å; C166-M233 HydrophobicContact CB-CG 4.27Å
234F89.2Confident91.1Very high24 Ų2457.1 Ų57.111%0.10527%0.27CS..  trans-73.1144.9170.4-67.1-86000110.1Y163 C165 L178 I220 F231 S232 L237 A240Y163-F234 HydrophobicContact CG-CD1 4.45Å; C165-F234 HydrophobicContact CB-CD1 3.82Å; C165-F234 HydrophobicContact CB-CD2 4.41Å; C165-F234 HydrophobicContact CB-CE1 3.55Å; C165-F234 HydrophobicContact CB-CE2 4.18Å; C165-F234 HydrophobicContact CB-CG 4.25Å; C165-F234 HydrophobicContact CB-CZ 3.75Å; L178-F234 HydrophobicContact CD2-CE1 4.1Å; L178-F234 HydrophobicContact CD2-CZ 4.16Å; I220-F234 HydrophobicContact CB-CE2 4.3Å; I220-F234 HydrophobicContact CD1-CD2 4.22Å; I220-F234 HydrophobicContact CD1-CE2 3.66Å; I220-F234 HydrophobicContact CD1-CZ 3.84Å; I220-F234 HydrophobicContact CG1-CE2 3.98Å; F231-F234 HydrophobicContact CB-CE2 3.65Å; F231-F234 HydrophobicContact CB-CZ 3.61Å; F231-F234 WeakPolarHBondContact O-CE2 3.34Å; S232-F234 VanDerWaalsContact C-N 3.31Å; S232-F234 PolarHBondContact O-N 3.34Å; F234-L237 HydrophobicContact CB-CB 4.14Å; F234-L237 HydrophobicContact CD2-CD1 4.19Å; F234-L237 HydrophobicContact CD2-CG 4.48Å; F234-A240 HydrophobicContact CD1-CB 3.7Å; F234-A240 HydrophobicContact CE1-CB 3.9Å; F234-A240 HydrophobicContact CG-CB 4.32Å
235L87.3Confident91Very high177 Ų17757.7 Ų57.793%0.92727%0.271SS*.SBendtrans-67-41.4169.8-68.8173.5000111.4
236N88.6Confident91.2Very high69 Ų6955 Ų5537%0.36926%0.262SS..  trans-134.392.5175.7-171.2-12.5000109D238 E239 A240N236-D238 VanDerWaalsContact C-N 3.31Å; N236-D238 PolarHBondContact OD1-N 3.3Å; N236-E239 HydrophobicContact CB-CB 4.05Å; N236-E239 VanDerWaalsContact CG-CB 3.41Å; N236-E239 WeakPolarHBondContact ND2-CB 2.79Å; N236-E239 PolarHBondContact ND2-OE2 3.11Å; N236-E239 PolarHBondContact OD1-N 3.45Å; N236-A240 WeakPolarHBondContact O-CB 3.41Å; N236-A240 PolarHBondContact O-N 3.09Å; N236-A240 VanDerWaalsContact O-N 3.15Å
237L91.1Very high91.7Very high19 Ų1948.6 Ų48.610%0.09923%0.234CC..Hα-helixtrans-67.4-34.1-179-177.8142.6000111.8R210 E218 I220 F234 F241R210-L237 HydrophobicContact CG-CD2 4.42Å; E218-L237 HydrophobicContact CB-CD1 3.75Å; I220-L237 HydrophobicContact CD1-CG 4.36Å; I220-L237 HydrophobicContact CG1-CD1 4.26Å; I220-L237 HydrophobicContact CG1-CG 4.2Å; F234-L237 HydrophobicContact CB-CB 4.14Å; F234-L237 HydrophobicContact CD2-CD1 4.19Å; F234-L237 HydrophobicContact CD2-CG 4.48Å; L237-F241 WeakPolarHBondContact O-CB 3.28Å; L237-F241 PolarHBondContact O-N 3.39Å
238D90.4Very high91.8Very high99 Ų9940.8 Ų40.853%0.52921%0.205SC..Hα-helixtrans-62.8-46.5-179.5-79-43.3000112.3R210 N236 G242R210-D238 IonicContact CZ-OD1 3.43Å; R210-D238 IonicContact NH1-OD1 3.84Å; R210-D238 PolarHBondContact NH1-OD1 2.95Å; R210-D238 IonicContact NH2-OD1 2.75Å; R210-D238 PolarHBondContact NH2-OD1 3.45Å; N236-D238 VanDerWaalsContact C-N 3.31Å; N236-D238 PolarHBondContact OD1-N 3.3Å; D238-G242 PolarHBondContact O-N 2.93Å
239E91.4Very high91.6Very high56 Ų5636 Ų3626%0.26218%0.183SC..Hα-helixtrans-65.2-50.8176.3-176.7-167.9150.200111.5N236 F241 G242 V243 K275N236-E239 HydrophobicContact CB-CB 4.05Å; N236-E239 VanDerWaalsContact CG-CB 3.41Å; N236-E239 WeakPolarHBondContact ND2-CB 2.79Å; N236-E239 PolarHBondContact ND2-OE2 3.11Å; N236-E239 PolarHBondContact OD1-N 3.45Å; E239-F241 VanDerWaalsContact C-N 3.35Å; E239-F241 PolarHBondContact O-N 3.23Å; E239-G242 PolarHBondContact O-N 3.49Å; E239-G242 VanDerWaalsContact O-N 3.1Å; E239-V243 WeakPolarHBondContact O-CG2 3.43Å; E239-V243 PolarHBondContact O-N 3.2Å; E239-K275 WeakPolarHBondContact OE1-CE 3.27Å; E239-K275 IonicContact OE1-NZ 3.33Å; E239-K275 PolarHBondContact OE1-NZ 3.29Å
240A93.3Very high91.3Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-57.6-48.1179.300000111.4Y163 I220 F234 N236 G242 V243 M244Y163-A240 HydrophobicContact CD1-CB 4.08Å; Y163-A240 HydrophobicContact CD2-CB 3.96Å; Y163-A240 HydrophobicContact CE1-CB 4.07Å; Y163-A240 HydrophobicContact CE2-CB 3.93Å; Y163-A240 HydrophobicContact CG-CB 4.03Å; I220-A240 HydrophobicContact CD1-CB 4.33Å; F234-A240 HydrophobicContact CD1-CB 3.7Å; F234-A240 HydrophobicContact CE1-CB 3.9Å; F234-A240 HydrophobicContact CG-CB 4.32Å; N236-A240 WeakPolarHBondContact O-CB 3.41Å; N236-A240 PolarHBondContact O-N 3.09Å; N236-A240 VanDerWaalsContact O-N 3.15Å; A240-G242 VanDerWaalsContact C-N 3.33Å; A240-G242 PolarHBondContact O-N 3.18Å; A240-V243 PolarHBondContact O-N 3.25Å; A240-M244 WeakPolarHBondContact O-CB 3.39Å; A240-M244 WeakPolarHBondContact O-CG 3.17Å; A240-M244 PolarHBondContact O-N 2.77Å
241F93.3Very high91Very high6 Ų632.7 Ų32.73%0.02617%0.169CC..Hα-helixtrans-66.6-34177.4-169.9-117.6000112.6L208 R210 I220 L237 E239 R245 L782L208-F241 HydrophobicContact CB-CE2 4.11Å; R210-F241 HydrophobicContact CG-CD1 3.89Å; R210-F241 HydrophobicContact CG-CD2 4.4Å; R210-F241 HydrophobicContact CG-CE1 3.74Å; R210-F241 HydrophobicContact CG-CE2 4.27Å; R210-F241 HydrophobicContact CG-CG 4.22Å; R210-F241 HydrophobicContact CG-CZ 3.95Å; I220-F241 HydrophobicContact CB-CD2 4.4Å; I220-F241 HydrophobicContact CD1-CB 3.72Å; I220-F241 HydrophobicContact CD1-CD2 3.98Å; I220-F241 HydrophobicContact CD1-CG 4.32Å; I220-F241 HydrophobicContact CG1-CB 4.24Å; I220-F241 HydrophobicContact CG1-CD2 3.89Å; I220-F241 HydrophobicContact CG1-CG 4.42Å; I220-F241 HydrophobicContact CG2-CD2 3.73Å; I220-F241 HydrophobicContact CG2-CE2 4.06Å; L237-F241 WeakPolarHBondContact O-CB 3.28Å; L237-F241 PolarHBondContact O-N 3.39Å; E239-F241 VanDerWaalsContact C-N 3.35Å; E239-F241 PolarHBondContact O-N 3.23Å; F241-R245 VanDerWaalsContact CD1-NH2 3.31Å; F241-R245 HydrophobicContact CE1-CG 4.25Å; F241-R245 HydrophobicContact CE2-CG 4.35Å; F241-R245 HydrophobicContact CZ-CG 4.16Å; F241-R245 WeakPolarHBondContact O-CB 3.21Å; F241-R245 VanDerWaalsContact O-CG 3.29Å; F241-R245 WeakPolarHBondContact O-CG 2.99Å; F241-R245 PolarHBondContact O-N 3.47Å; F241-R245 VanDerWaalsContact O-N 3.11Å; F241-R245 PolarHBondContact O-NE 3.16Å; F241-L782 HydrophobicContact CZ-CD1 4.07Å
242G91.6Very high90.7Very high16 Ų1632.7 Ų32.717%0.16517%0.169CC..Hα-helixtrans-61.5-50.5173.600000112.2D238 E239 A240 R245 Q246D238-G242 PolarHBondContact O-N 2.93Å; E239-G242 PolarHBondContact O-N 3.49Å; E239-G242 VanDerWaalsContact O-N 3.1Å; A240-G242 VanDerWaalsContact C-N 3.33Å; A240-G242 PolarHBondContact O-N 3.18Å; G242-R245 PolarHBondContact O-N 3.32Å; G242-Q246 WeakPolarHBondContact O-CG 3.49Å; G242-Q246 PolarHBondContact O-N 3.46Å; G242-Q246 VanDerWaalsContact O-N 3.09Å
243V93.5Very high90.2Very high6 Ų633.2 Ų33.24%0.03617%0.171CC..Hα-helixtrans-66.2-42.2179.8177.20000111.5T161 L180 E239 A240 R245 Q246 L247 L278T161-V243 HydrophobicContact CG2-CG1 3.85Å; L180-V243 HydrophobicContact CD1-CB 4.35Å; L180-V243 HydrophobicContact CD1-CG1 3.88Å; E239-V243 WeakPolarHBondContact O-CG2 3.43Å; E239-V243 PolarHBondContact O-N 3.2Å; A240-V243 PolarHBondContact O-N 3.25Å; V243-R245 VanDerWaalsContact C-N 3.33Å; V243-R245 PolarHBondContact O-N 2.68Å; V243-Q246 PolarHBondContact O-N 2.97Å; V243-L247 HydrophobicContact CG1-CD1 3.81Å; V243-L247 HydrophobicContact CG1-CG 4.26Å; V243-L247 WeakPolarHBondContact O-CB 3.38Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 3.23Å; V243-L278 HydrophobicContact CG1-CD1 4.04Å
244M95.2Very high89.9Confident0 Ų028.3 Ų28.30%014%0.144CC..Hα-helixtrans-59.2-43.6176.4-70.6177.171.700112.1L178 L180 M185 W202 L208 I220 V222 A240 A248L178-M244 HydrophobicContact CD2-CE 4.36Å; L178-M244 HydrophobicContact CD2-SD 3.92Å; L180-M244 HydrophobicContact CD1-CG 3.58Å; L180-M244 HydrophobicContact CD2-CG 4.05Å; L180-M244 HydrophobicContact CG-CG 4.5Å; M185-M244 HydrophobicContact CE-CE 4.17Å; M185-M244 HydrophobicContact SD-CE 4.44Å; W202-M244 HydrophobicContact CH2-CB 4.11Å; W202-M244 HydrophobicContact CH2-CE 4.47Å; W202-M244 HydrophobicContact CH2-CG 4.06Å; W202-M244 HydrophobicContact CZ3-CB 4.45Å; L208-M244 HydrophobicContact CD1-CB 4.46Å; L208-M244 HydrophobicContact CD2-CE 4.09Å; I220-M244 HydrophobicContact CD1-SD 3.93Å; I220-M244 HydrophobicContact CG2-CE 4.06Å; I220-M244 HydrophobicContact CG2-SD 4.12Å; V222-M244 HydrophobicContact CG2-CE 3.56Å; A240-M244 WeakPolarHBondContact O-CB 3.39Å; A240-M244 WeakPolarHBondContact O-CG 3.17Å; A240-M244 PolarHBondContact O-N 2.77Å; M244-A248 WeakPolarHBondContact O-CB 3.43Å; M244-A248 PolarHBondContact O-N 3.45Å
245R92Very high89.3Confident26 Ų2627.8 Ų27.810%0.09814%0.142CC..Hα-helixtrans-63.3-46.4177.5-78.2-176.3-71.7175.9-9.8112.1L208 F241 G242 V243 A248 D249 R778 L782L208-R245 HydrophobicContact CD1-CG 4.27Å; F241-R245 VanDerWaalsContact CD1-NH2 3.31Å; F241-R245 HydrophobicContact CE1-CG 4.25Å; F241-R245 HydrophobicContact CE2-CG 4.35Å; F241-R245 HydrophobicContact CZ-CG 4.16Å; F241-R245 WeakPolarHBondContact O-CB 3.21Å; F241-R245 VanDerWaalsContact O-CG 3.29Å; F241-R245 WeakPolarHBondContact O-CG 2.99Å; F241-R245 PolarHBondContact O-N 3.47Å; F241-R245 VanDerWaalsContact O-N 3.11Å; F241-R245 PolarHBondContact O-NE 3.16Å; G242-R245 PolarHBondContact O-N 3.32Å; V243-R245 VanDerWaalsContact C-N 3.33Å; V243-R245 PolarHBondContact O-N 2.68Å; R245-A248 PolarHBondContact O-N 3.01Å; R245-D249 WeakPolarHBondContact O-CB 3.32Å; R245-D249 PolarHBondContact O-N 3.43Å; R245-R778 PolarHBondContact NH1-O 3.21Å; R245-L782 HydrophobicContact CG-CD1 4.45Å
246Q91.5Very high88.7Confident32 Ų3220.2 Ų20.215%0.1510%0.103CC..Hα-helixtrans-63.4-45.6179.2-72.4-17452.200112.2G242 V243 A248 D249 I250 L278G242-Q246 WeakPolarHBondContact O-CG 3.49Å; G242-Q246 PolarHBondContact O-N 3.46Å; G242-Q246 VanDerWaalsContact O-N 3.09Å; V243-Q246 PolarHBondContact O-N 2.97Å; Q246-A248 VanDerWaalsContact C-N 3.31Å; Q246-A248 PolarHBondContact O-N 3.45Å; Q246-D249 PolarHBondContact O-N 2.67Å; Q246-I250 HydrophobicContact CB-CD1 4.39Å; Q246-I250 VanDerWaalsContact O-CB 3.26Å; Q246-I250 WeakPolarHBondContact O-CB 3.05Å; Q246-I250 WeakPolarHBondContact O-CD1 3.09Å; Q246-I250 WeakPolarHBondContact O-CG1 3.26Å; Q246-I250 PolarHBondContact O-N 2.93Å; Q246-L278 HydrophobicContact CB-CD2 4.45Å; Q246-L278 PolarHBondContact OE1-O 3.08Å
247L93.9Very high87.5Confident0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-62.8-39.5178.2-73.6172.8000111.9V160 L180 W202 V243 T251 I273 L278V160-L247 HydrophobicContact CB-CD1 4.43Å; V160-L247 HydrophobicContact CG2-CD2 4.18Å; L180-L247 HydrophobicContact CB-CD1 3.78Å; L180-L247 HydrophobicContact CD1-CD1 4.36Å; W202-L247 HydrophobicContact CD2-CB 4.35Å; W202-L247 HydrophobicContact CZ2-CB 3.85Å; W202-L247 HydrophobicContact CZ2-CD1 3.89Å; V243-L247 HydrophobicContact CG1-CD1 3.81Å; V243-L247 HydrophobicContact CG1-CG 4.26Å; V243-L247 WeakPolarHBondContact O-CB 3.38Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 3.23Å; L247-T251 WeakPolarHBondContact O-CB 3.49Å; L247-T251 PolarHBondContact O-N 3.17Å; L247-T251 PolarHBondContact O-OG1 2.91Å; L247-I273 HydrophobicContact CD2-CG2 4.18Å; L247-L278 HydrophobicContact CD2-CD1 3.81Å; L247-L278 HydrophobicContact CG-CD1 3.93Å
248A92.9Very high85.6Confident0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-63.7-50.9173.700000111.8W202 L208 M244 R245 Q246 T251 L252 V785W202-A248 HydrophobicContact CE3-CB 4Å; L208-A248 HydrophobicContact CD1-CB 3.85Å; M244-A248 WeakPolarHBondContact O-CB 3.43Å; M244-A248 PolarHBondContact O-N 3.45Å; R245-A248 PolarHBondContact O-N 3.01Å; Q246-A248 VanDerWaalsContact C-N 3.31Å; Q246-A248 PolarHBondContact O-N 3.45Å; A248-T251 PolarHBondContact O-N 3.26Å; A248-L252 WeakPolarHBondContact O-CB 3.46Å; A248-L252 WeakPolarHBondContact O-CD1 3.48Å; A248-L252 WeakPolarHBondContact O-CG 3.5Å; A248-L252 PolarHBondContact O-N 3.49Å; A248-V785 HydrophobicContact CB-CG2 3.99Å
249D87.9Confident83.6Confident5 Ų516.1 Ų16.13%0.0279%0.087CC..Hα-helixtrans-58.1-51.2178.5-177.481.6000111.8R245 Q246 T251 L252 R253 R784R245-D249 WeakPolarHBondContact O-CB 3.32Å; R245-D249 PolarHBondContact O-N 3.43Å; Q246-D249 PolarHBondContact O-N 2.67Å; D249-T251 PolarHBondContact O-N 2.86Å; D249-L252 PolarHBondContact O-N 2.88Å; D249-R253 WeakPolarHBondContact O-CB 3.49Å; D249-R253 WeakPolarHBondContact O-CG 3.28Å; D249-R253 PolarHBondContact O-N 3.38Å; D249-R253 WeakPolarHBondContact OD2-CD 3.48Å; D249-R253 IonicContact OD2-NH1 3.68Å; D249-R253 PolarHBondContact OD2-NH1 2.99Å; D249-R784 WeakPolarHBondContact OD1-CB 3.2Å; D249-R784 WeakPolarHBondContact OD1-CD 3.23Å; D249-R784 IonicContact OD1-CZ 2.62Å; D249-R784 IonicContact OD1-NE 3.08Å; D249-R784 IonicContact OD1-NH1 3.91Å; D249-R784 PolarHBondContact OD1-NH1 3.46Å; D249-R784 IonicContact OD2-NH1 2.65Å
250I87Confident81.5Confident7 Ų714.3 Ų14.34%0.0368%0.083CC..Hα-helixtrans-60.6-46179.7-70164.4000110.6Q246 R253 R254 L263 L267 I273 L278Q246-I250 HydrophobicContact CB-CD1 4.39Å; Q246-I250 VanDerWaalsContact O-CB 3.26Å; Q246-I250 WeakPolarHBondContact O-CB 3.05Å; Q246-I250 WeakPolarHBondContact O-CD1 3.09Å; Q246-I250 WeakPolarHBondContact O-CG1 3.26Å; Q246-I250 PolarHBondContact O-N 2.93Å; I250-R253 PolarHBondContact O-N 2.99Å; I250-R254 HydrophobicContact CG2-CG 4.5Å; I250-R254 WeakPolarHBondContact O-CB 3.34Å; I250-R254 WeakPolarHBondContact O-CG 3.19Å; I250-R254 PolarHBondContact O-N 3.2Å; I250-L263 HydrophobicContact CG1-CD1 4.41Å; I250-L263 HydrophobicContact CG2-CD2 4.13Å; I250-L267 HydrophobicContact CD1-CD1 4.08Å; I250-L267 HydrophobicContact CD1-CD2 4.16Å; I250-L267 HydrophobicContact CG1-CD1 4.27Å; I250-L267 HydrophobicContact CG2-CB 4.33Å; I250-I273 HydrophobicContact CG2-CD1 4.29Å; I250-L278 HydrophobicContact CD1-CD2 3.32Å
251T87.3Confident79.7Confident1 Ų114.8 Ų14.81%0.0069%0.086CC..Hα-helixtrans-64.8-45.5-179.4-58.70000111.1V182 W202 L247 A248 D249 R253 R254 L255V182-T251 PolarHBondContact O-OG1 2.96Å; V182-T251 VanDerWaalsContact O-OG1 3.1Å; W202-T251 HydrophobicContact CB-CG2 3.8Å; L247-T251 WeakPolarHBondContact O-CB 3.49Å; L247-T251 PolarHBondContact O-N 3.17Å; L247-T251 PolarHBondContact O-OG1 2.91Å; A248-T251 PolarHBondContact O-N 3.26Å; D249-T251 PolarHBondContact O-N 2.86Å; T251-R253 PolarHBondContact O-N 2.83Å; T251-R254 PolarHBondContact O-N 3.08Å; T251-L255 HydrophobicContact CG2-CD1 3.49Å; T251-L255 VanDerWaalsContact CG2-CD1 3.49Å; T251-L255 HydrophobicContact CG2-CG 4.22Å; T251-L255 WeakPolarHBondContact O-CB 3.22Å; T251-L255 WeakPolarHBondContact O-CG 3.42Å; T251-L255 PolarHBondContact O-N 2.96Å
252L86.7Confident78Confident0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-66.8-38.5179.7-66.9167.9000111.9A248 D249 R254 L255 L256 V785 L788A248-L252 WeakPolarHBondContact O-CB 3.46Å; A248-L252 WeakPolarHBondContact O-CD1 3.48Å; A248-L252 WeakPolarHBondContact O-CG 3.5Å; A248-L252 PolarHBondContact O-N 3.49Å; D249-L252 PolarHBondContact O-N 2.88Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 3.38Å; L252-L255 PolarHBondContact O-N 3.2Å; L252-L256 HydrophobicContact CB-CD1 4.32Å; L252-L256 HydrophobicContact CD2-CD1 3.47Å; L252-L256 VanDerWaalsContact CD2-CD1 3.47Å; L252-L256 HydrophobicContact CD2-CG 4.14Å; L252-L256 HydrophobicContact CG-CD1 4.46Å; L252-L256 WeakPolarHBondContact O-CA 3.38Å; L252-L256 VanDerWaalsContact O-CB 3.26Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 PolarHBondContact O-N 3.47Å; L252-V785 HydrophobicContact CD1-CB 3.97Å; L252-V785 HydrophobicContact CD1-CG1 3.65Å; L252-V785 HydrophobicContact CD1-CG2 3.96Å; L252-L788 HydrophobicContact CB-CD1 3.81Å
253R81.6Confident76.8Confident15 Ų1519.3 Ų19.36%0.05710%0.103CC..Hα-helixtrans-61.8-42.2173.3-73.4171.268-175.61.8111.9D249 I250 T251 D257 L261 E262 L788D249-R253 WeakPolarHBondContact O-CB 3.49Å; D249-R253 WeakPolarHBondContact O-CG 3.28Å; D249-R253 PolarHBondContact O-N 3.38Å; D249-R253 WeakPolarHBondContact OD2-CD 3.48Å; D249-R253 IonicContact OD2-NH1 3.68Å; D249-R253 PolarHBondContact OD2-NH1 2.99Å; I250-R253 PolarHBondContact O-N 2.99Å; T251-R253 PolarHBondContact O-N 2.83Å; R253-D257 CarbonylContact O-C 3.57Å; R253-D257 VanDerWaalsContact O-C 3.28Å; R253-D257 PolarHBondContact O-N 3.01Å; R253-L261 HydrophobicContact CG-CB 4.31Å; R253-L261 HydrophobicContact CG-CD1 3.9Å; R253-E262 PolarHBondContact NH2-O 3.04Å; R253-L788 HydrophobicContact CG-CD1 4.17Å
254R82.2Confident75.4Confident37 Ų3721.1 Ų21.114%0.1411%0.112CC..Hα-helixtrans-64.7-37.9177.4-72.5170.263.2-123.7-21112.9N183 I250 T251 L252 L263 L267 T270N183-R254 PolarHBondContact OD1-NH1 3.13Å; I250-R254 HydrophobicContact CG2-CG 4.5Å; I250-R254 WeakPolarHBondContact O-CB 3.34Å; I250-R254 WeakPolarHBondContact O-CG 3.19Å; I250-R254 PolarHBondContact O-N 3.2Å; T251-R254 PolarHBondContact O-N 3.08Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 3.38Å; R254-L263 HydrophobicContact CG-CD2 3.33Å; R254-L267 WeakPolarHBondContact CD-O 3.34Å; R254-T270 VanDerWaalsContact NH1-CG2 3.34Å
255L77.9Confident74.1Confident12 Ų1230.3 Ų30.36%0.06315%0.147CC..Hα-helixtrans-97.6-39.2-170.9-59.7171.2000114.2A203 T251 L252 F826 L829 Y830A203-L255 HydrophobicContact CB-CD1 3.85Å; T251-L255 HydrophobicContact CG2-CD1 3.49Å; T251-L255 VanDerWaalsContact CG2-CD1 3.49Å; T251-L255 HydrophobicContact CG2-CG 4.22Å; T251-L255 WeakPolarHBondContact O-CB 3.22Å; T251-L255 WeakPolarHBondContact O-CG 3.42Å; T251-L255 PolarHBondContact O-N 2.96Å; L252-L255 PolarHBondContact O-N 3.2Å; L255-F826 HydrophobicContact CB-CD1 4.33Å; L255-F826 HydrophobicContact CB-CE1 4.02Å; L255-F826 HydrophobicContact CB-CZ 4.26Å; L255-F826 HydrophobicContact CD1-CD2 4.39Å; L255-F826 HydrophobicContact CD1-CG 4.42Å; L255-F826 HydrophobicContact CD2-CD1 4.22Å; L255-L829 HydrophobicContact CD2-CB 3.8Å; L255-L829 HydrophobicContact CD2-CD1 3.76Å; L255-L829 HydrophobicContact CD2-CG 4.46Å; L255-Y830 HydrophobicContact CD1-CE1 3.46Å; L255-Y830 VanDerWaalsContact CD1-CE1 3.46Å; L255-Y830 WeakPolarHBondContact CD1-OH 3.4Å; L255-Y830 HydrophobicContact CD2-CD1 4.23Å; L255-Y830 HydrophobicContact CD2-CE1 3.7Å; L255-Y830 HydrophobicContact CG-CE1 4.16Å
256L73.4Confident72.8Confident18 Ų1832 Ų329%0.09416%0.161CC..Hα-helixtrans-100-18.2-172.3-54.4-174.9000112.7L252 R620 L788 E792 F826L252-L256 HydrophobicContact CB-CD1 4.32Å; L252-L256 HydrophobicContact CD2-CD1 3.47Å; L252-L256 VanDerWaalsContact CD2-CD1 3.47Å; L252-L256 HydrophobicContact CD2-CG 4.14Å; L252-L256 HydrophobicContact CG-CD1 4.46Å; L252-L256 WeakPolarHBondContact O-CA 3.38Å; L252-L256 VanDerWaalsContact O-CB 3.26Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 PolarHBondContact O-N 3.47Å; L256-R620 PolarHBondContact O-NH2 3.4Å; L256-L788 HydrophobicContact CD1-CB 4.25Å; L256-E792 HydrophobicContact CD1-CB 4.29Å; L256-E792 HydrophobicContact CD2-CG 4.4Å; L256-F826 HydrophobicContact CD2-CE1 4.41Å; L256-F826 HydrophobicContact CD2-CE2 4.2Å; L256-F826 HydrophobicContact CD2-CZ 3.52Å
257D63.4Low72.1Confident3 Ų330.5 Ų30.52%0.01615%0.154CC..  trans-13763.7-178.8-162.918000115R253 V259 G260 L261 R620 L788 R857R253-D257 CarbonylContact O-C 3.57Å; R253-D257 VanDerWaalsContact O-C 3.28Å; R253-D257 PolarHBondContact O-N 3.01Å; D257-V259 PolarHBondContact O-N 2.97Å; D257-G260 PolarHBondContact OD1-N 3.39Å; D257-L261 HydrophobicContact CB-CB 4.34Å; D257-L261 HydrophobicContact CB-CD1 3.89Å; D257-L261 HydrophobicContact CB-CG 4.39Å; D257-L261 VanDerWaalsContact OD2-CB 3.31Å; D257-L261 WeakPolarHBondContact OD2-CB 3.42Å; D257-L261 WeakPolarHBondContact OD2-CD1 3.41Å; D257-L261 WeakPolarHBondContact OD2-CG 3.45Å; D257-L261 PolarHBondContact OD2-N 3.45Å; D257-R620 IonicContact OD1-CZ 3.99Å; D257-R620 IonicContact OD1-NH2 3.2Å; D257-R620 PolarHBondContact OD1-NH2 3.1Å; D257-L788 HydrophobicContact CB-CD2 4.26Å; D257-R857 IonicContact OD1-NH1 4Å
258S50.3Low71Confident57 Ų5735.8 Ų35.840%0.39918%0.178SC..THydrogen-bonded Turntrans-67.75.1176.757.70000115.8W845S258-W845 WeakPolarHBondContact OG-CZ2 3.44Å
259V49.9Very low70.1Confident42 Ų4239.2 Ų39.226%0.25519%0.194SC..THydrogen-bonded Turntrans-135.1-33.5-175.1-172.10000114.4D257 W845 R857D257-V259 PolarHBondContact O-N 2.97Å; V259-W845 HydrophobicContact CB-CH2 4.42Å; V259-W845 HydrophobicContact CB-CZ3 4.4Å; V259-W845 HydrophobicContact CG2-CD2 4.13Å; V259-W845 HydrophobicContact CG2-CE3 3.66Å; V259-W845 HydrophobicContact CG2-CH2 2.96Å; V259-W845 HydrophobicContact CG2-CZ2 3.47Å; V259-W845 VanDerWaalsContact CG2-CZ2 3.47Å; V259-W845 HydrophobicContact CG2-CZ3 3.05Å; V259-R857 VanDerWaalsContact CG2-NH2 3.27Å
260G47.5Very low69.5Low18 Ų1840.7 Ų40.719%0.18620%0.204CC..THydrogen-bonded Turntrans-98.6-38.3-169.700000114.6D257D257-G260 PolarHBondContact OD1-N 3.39Å
261L55.8Low68.8Low9 Ų943 Ų435%0.04722%0.224CC..SBendtrans-99.195.7-175.3-74163.1000110R253 D257 L263 D615 I622 L788R253-L261 HydrophobicContact CG-CB 4.31Å; R253-L261 HydrophobicContact CG-CD1 3.9Å; D257-L261 HydrophobicContact CB-CB 4.34Å; D257-L261 HydrophobicContact CB-CD1 3.89Å; D257-L261 HydrophobicContact CB-CG 4.39Å; D257-L261 VanDerWaalsContact OD2-CB 3.31Å; D257-L261 WeakPolarHBondContact OD2-CB 3.42Å; D257-L261 WeakPolarHBondContact OD2-CD1 3.41Å; D257-L261 WeakPolarHBondContact OD2-CG 3.45Å; D257-L261 PolarHBondContact OD2-N 3.45Å; L261-L263 PolarHBondContact O-N 3.14Å; L261-D615 HydrophobicContact CD2-CB 3.71Å; L261-D615 WeakPolarHBondContact CD2-OD2 3.36Å; L261-I622 HydrophobicContact CD1-CG2 4.11Å; L261-L788 HydrophobicContact CD1-CD1 4.21Å; L261-L788 HydrophobicContact CD1-CD2 3.87Å
262E57.5Low68.4Low102 Ų10249.8 Ų49.848%0.47725%0.249SC..  trans-58.8106175.7-67.3-160.2146.400110.3R253 K578R253-E262 PolarHBondContact NH2-O 3.04Å; E262-K578 IonicContact OE1-NZ 3.2Å; E262-K578 PolarHBondContact OE1-NZ 3.26Å
263L66.4Low68.3Low15 Ų1549.9 Ų49.98%0.07925%0.249CC..  trans-94.2141.3172.5-174.571.1000109.4I250 R254 L261 R265 L267 Q268I250-L263 HydrophobicContact CG1-CD1 4.41Å; I250-L263 HydrophobicContact CG2-CD2 4.13Å; R254-L263 HydrophobicContact CG-CD2 3.33Å; L261-L263 PolarHBondContact O-N 3.14Å; L263-R265 PolarHBondContact O-N 2.86Å; L263-L267 HydrophobicContact CD1-CB 4.04Å; L263-L267 HydrophobicContact CD1-CD1 3.83Å; L263-L267 HydrophobicContact CD2-CB 3.88Å; L263-L267 HydrophobicContact CG-CB 3.86Å; L263-L267 HydrophobicContact CG-CD1 4.47Å; L263-Q268 HydrophobicContact CB-CG 4.47Å; L263-Q268 HydrophobicContact CD2-CG 4.33Å; L263-Q268 PolarHBondContact O-NE2 3.48Å
264D63.8Low68.6Low44 Ų4449.9 Ų49.924%0.23525%0.251CS..  trans-56139.1177-80-57.7000113.7V266 L267 Q268 Q281 R284D264-V266 PolarHBondContact O-N 3.3Å; D264-L267 HydrophobicContact CB-CD1 4.21Å; D264-L267 HydrophobicContact CB-CG 4.26Å; D264-L267 WeakPolarHBondContact O-CA 3.35Å; D264-L267 PolarHBondContact O-N 3.3Å; D264-Q268 PolarHBondContact O-N 3.3Å; D264-Q281 PolarHBondContact OD2-NE2 3.21Å; D264-Q281 PolarHBondContact OD2-OE1 3.1Å; D264-R284 IonicContact OD1-CZ 3.65Å; D264-R284 IonicContact OD1-NH1 2.79Å; D264-R284 PolarHBondContact OD1-NH1 2.79Å; D264-R284 IonicContact OD1-NH2 3.58Å; D264-R284 PolarHBondContact OD1-NH2 3.5Å; D264-R284 IonicContact OD2-CZ 3.57Å; D264-R284 IonicContact OD2-NH1 2.68Å; D264-R284 PolarHBondContact OD2-NH1 3.36Å; D264-R284 IonicContact OD2-NH2 3.97Å; D264-R284 PolarHBondContact OD2-NH2 3.39Å
265R66.8Low68.9Low193 Ų19349.9 Ų49.973%0.72825%0.252SS*.Hα-helixtrans-55-30.5-179-168.6177.7-178.9-171.11.2113.4L263L263-R265 PolarHBondContact O-N 2.86Å
266V66.1Low69.4Low63 Ų6357.2 Ų57.238%0.38228%0.279SS..Hα-helixtrans-68-39.5176.4179.30000111.1D264 Q269 R272 I277D264-V266 PolarHBondContact O-N 3.3Å; V266-Q269 PolarHBondContact O-N 3.07Å; V266-R272 HydrophobicContact CG1-CB 4.35Å; V266-I277 HydrophobicContact CG1-CD1 4.45Å; V266-I277 HydrophobicContact CG1-CG2 4.01Å
267L74.9Confident70Confident0 Ų058.3 Ų58.30%029%0.285CS..Hα-helixtrans-81.5-20.3-178.8-56.4175.6000112.4I250 R254 L263 D264 Q269 I277 L278 Q281I250-L267 HydrophobicContact CD1-CD1 4.08Å; I250-L267 HydrophobicContact CD1-CD2 4.16Å; I250-L267 HydrophobicContact CG1-CD1 4.27Å; I250-L267 HydrophobicContact CG2-CB 4.33Å; R254-L267 WeakPolarHBondContact CD-O 3.34Å; L263-L267 HydrophobicContact CD1-CB 4.04Å; L263-L267 HydrophobicContact CD1-CD1 3.83Å; L263-L267 HydrophobicContact CD2-CB 3.88Å; L263-L267 HydrophobicContact CG-CB 3.86Å; L263-L267 HydrophobicContact CG-CD1 4.47Å; D264-L267 HydrophobicContact CB-CD1 4.21Å; D264-L267 HydrophobicContact CB-CG 4.26Å; D264-L267 WeakPolarHBondContact O-CA 3.35Å; D264-L267 PolarHBondContact O-N 3.3Å; L267-Q269 PolarHBondContact O-N 3.34Å; L267-I277 HydrophobicContact CD2-CG2 4.01Å; L267-L278 HydrophobicContact CD2-CD2 4.44Å; L267-Q281 HydrophobicContact CD1-CG 3.82Å
268Q72.5Confident71.3Confident110 Ų11058.2 Ų58.251%0.51428%0.284SS..Hα-helixtrans-65.1-30.3167.2-68176.6-1200111.7L263 D264 T270L263-Q268 HydrophobicContact CB-CG 4.47Å; L263-Q268 HydrophobicContact CD2-CG 4.33Å; L263-Q268 PolarHBondContact O-NE2 3.48Å; D264-Q268 PolarHBondContact O-N 3.3Å; Q268-T270 PolarHBondContact O-N 3.22Å
269Q73Confident73.1Confident72 Ų7259.4 Ų59.434%0.33628%0.283SS..  trans-88.194.1178.7-65.3-179.41.200111V266 L267 A271 R272V266-Q269 PolarHBondContact O-N 3.07Å; L267-Q269 PolarHBondContact O-N 3.34Å; Q269-A271 PolarHBondContact O-N 2.95Å; Q269-R272 HydrophobicContact CB-CB 4.48Å; Q269-R272 HydrophobicContact CB-CG 4.27Å; Q269-R272 PolarHBondContact O-N 3.47Å
270T75.5Confident74.9Confident37 Ų3761.8 Ų61.823%0.22729%0.292CS..G310 helixtrans-46.4-39.3178.251.30000113.9V182 R254 Q268 R272 I273V182-T270 HydrophobicContact CG1-CG2 3.88Å; R254-T270 VanDerWaalsContact NH1-CG2 3.34Å; Q268-T270 PolarHBondContact O-N 3.22Å; T270-R272 PolarHBondContact O-N 3.5Å; T270-R272 VanDerWaalsContact O-N 3.13Å; T270-I273 PolarHBondContact O-N 3.35Å
271A73.3Confident76.9Confident55 Ų5561.6 Ų61.646%0.45529%0.286SS..G310 helixtrans-63.6-18.6-178.100000114.1K158 Q269K158-A271 PolarHBondContact NZ-O 3.49Å; Q269-A271 PolarHBondContact O-N 2.95Å
272R77.8Confident78.4Confident143 Ų14363 Ų6354%0.5430%0.298SS..G310 helixtrans-99.8-9.7-178.9-64.4-169.8177.3-177.63.3113.3V266 Q269 T270 T274 I277V266-R272 HydrophobicContact CG1-CB 4.35Å; Q269-R272 HydrophobicContact CB-CB 4.48Å; Q269-R272 HydrophobicContact CB-CG 4.27Å; Q269-R272 PolarHBondContact O-N 3.47Å; T270-R272 PolarHBondContact O-N 3.5Å; T270-R272 VanDerWaalsContact O-N 3.13Å; R272-T274 PolarHBondContact O-N 2.96Å; R272-I277 WeakPolarHBondContact O-CD1 3.44Å
273I85.5Confident79.9Confident2 Ų261.8 Ų61.81%0.0130%0.295CS..  trans-71.1114.9-177-60.8173.3000109.3V160 V182 L247 I250 T270 L278V160-I273 HydrophobicContact CG2-CG2 4.16Å; V182-I273 HydrophobicContact CG1-CD1 3.74Å; V182-I273 HydrophobicContact CG2-CB 4.02Å; V182-I273 HydrophobicContact CG2-CG2 4.31Å; L247-I273 HydrophobicContact CD2-CG2 4.18Å; I250-I273 HydrophobicContact CG2-CD1 4.29Å; T270-I273 PolarHBondContact O-N 3.35Å; I273-L278 HydrophobicContact CG2-CD1 4.46Å; I273-L278 HydrophobicContact CG2-CD2 4.11Å; I273-L278 HydrophobicContact CG2-CG 4.31Å
274T87.8Confident81.1Confident16 Ų1662.4 Ų62.410%0.09830%0.296CS..  trans-130.2162.9175.361.50000109.2R272 R276 I277 L278R272-T274 PolarHBondContact O-N 2.96Å; T274-R276 VanDerWaalsContact C-N 3.27Å; T274-R276 PolarHBondContact O-N 3.03Å; T274-I277 PolarHBondContact O-N 3.2Å; T274-I277 PolarHBondContact OG1-N 3.46Å; T274-L278 WeakPolarHBondContact O-CG 3.42Å; T274-L278 PolarHBondContact O-N 3.39Å; T274-L278 VanDerWaalsContact O-N 3.12Å
275K88.8Confident82.3Confident37 Ų3763.2 Ų63.216%0.16130%0.298CS..Hα-helixtrans-55.8-44.5178.3-173.8-166.7178.1-154.70111.7V160 E239 I277 L278 E279V160-K275 HydrophobicContact CG1-CB 4.36Å; E239-K275 WeakPolarHBondContact OE1-CE 3.27Å; E239-K275 IonicContact OE1-NZ 3.33Å; E239-K275 PolarHBondContact OE1-NZ 3.29Å; K275-I277 PolarHBondContact O-N 3.32Å; K275-L278 WeakPolarHBondContact O-CB 3.39Å; K275-L278 PolarHBondContact O-N 3.48Å; K275-L278 VanDerWaalsContact O-N 3.17Å; K275-E279 WeakPolarHBondContact CE-OE1 3.3Å; K275-E279 IonicContact NZ-OE1 2.86Å; K275-E279 WeakPolarHBondContact O-CG 3.38Å; K275-E279 PolarHBondContact O-N 3.34Å
276R86.8Confident83.4Confident166 Ų16655.7 Ų55.763%0.62627%0.27SS*.Hα-helixtrans-58.5-44.3177.5-179.7177.9171.6164.34.9112.8T274 L278 E279 E280T274-R276 VanDerWaalsContact C-N 3.27Å; T274-R276 PolarHBondContact O-N 3.03Å; R276-L278 VanDerWaalsContact C-N 3.3Å; R276-L278 PolarHBondContact O-N 3.3Å; R276-E279 PolarHBondContact O-N 2.93Å; R276-E280 HydrophobicContact CG-CG 4.49Å; R276-E280 WeakPolarHBondContact CG-OE1 2.96Å; R276-E280 IonicContact CZ-OE1 3.45Å; R276-E280 IonicContact NE-OE1 2.72Å; R276-E280 PolarHBondContact NE-OE1 3.45Å; R276-E280 IonicContact NH2-OE1 2.7Å; R276-E280 WeakPolarHBondContact O-CG 3.34Å; R276-E280 PolarHBondContact O-N 2.9Å
277I87.3Confident84.7Confident41 Ų4152.8 Ų52.821%0.2125%0.252CS..Hα-helixtrans-65.9-35178.7-76.1166.9000111.4V266 L267 R272 T274 K275 Q281V266-I277 HydrophobicContact CG1-CD1 4.45Å; V266-I277 HydrophobicContact CG1-CG2 4.01Å; L267-I277 HydrophobicContact CD2-CG2 4.01Å; R272-I277 WeakPolarHBondContact O-CD1 3.44Å; T274-I277 PolarHBondContact O-N 3.2Å; T274-I277 PolarHBondContact OG1-N 3.46Å; K275-I277 PolarHBondContact O-N 3.32Å; I277-Q281 VanDerWaalsContact O-CB 3.27Å; I277-Q281 WeakPolarHBondContact O-CB 3.31Å; I277-Q281 PolarHBondContact O-N 3.16Å
278L90.2Very high85.6Confident0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-65.4-40.7173.4-65179.7000111.8V160 V243 Q246 L247 I250 L267 I273 T274 K275 R276 Q281 A282V160-L278 HydrophobicContact CG1-CD1 3.93Å; V243-L278 HydrophobicContact CG1-CD1 4.04Å; Q246-L278 HydrophobicContact CB-CD2 4.45Å; Q246-L278 PolarHBondContact OE1-O 3.08Å; L247-L278 HydrophobicContact CD2-CD1 3.81Å; L247-L278 HydrophobicContact CG-CD1 3.93Å; I250-L278 HydrophobicContact CD1-CD2 3.32Å; L267-L278 HydrophobicContact CD2-CD2 4.44Å; I273-L278 HydrophobicContact CG2-CD1 4.46Å; I273-L278 HydrophobicContact CG2-CD2 4.11Å; I273-L278 HydrophobicContact CG2-CG 4.31Å; T274-L278 WeakPolarHBondContact O-CG 3.42Å; T274-L278 PolarHBondContact O-N 3.39Å; T274-L278 VanDerWaalsContact O-N 3.12Å; K275-L278 WeakPolarHBondContact O-CB 3.39Å; K275-L278 PolarHBondContact O-N 3.48Å; K275-L278 VanDerWaalsContact O-N 3.17Å; R276-L278 VanDerWaalsContact C-N 3.3Å; R276-L278 PolarHBondContact O-N 3.3Å; L278-Q281 PolarHBondContact O-N 3.38Å; L278-A282 WeakPolarHBondContact O-CB 3.48Å; L278-A282 PolarHBondContact O-N 3.17Å
279E88.1Confident86.4Confident82 Ų8249.9 Ų49.938%0.38324%0.244SC..Hα-helixtrans-64.8-47.1175.8-69.6169.3174.600111.9K275 R276 Q281 A282 I283K275-E279 WeakPolarHBondContact CE-OE1 3.3Å; K275-E279 IonicContact NZ-OE1 2.86Å; K275-E279 WeakPolarHBondContact O-CG 3.38Å; K275-E279 PolarHBondContact O-N 3.34Å; R276-E279 PolarHBondContact O-N 2.93Å; E279-Q281 VanDerWaalsContact C-N 3.31Å; E279-Q281 PolarHBondContact O-N 2.8Å; E279-A282 PolarHBondContact O-N 3.29Å; E279-I283 WeakPolarHBondContact O-CG1 3.35Å; E279-I283 PolarHBondContact O-N 3.11Å; E279-I283 VanDerWaalsContact O-N 3.14Å
280E88.2Confident87.3Confident92 Ų9247.3 Ų47.343%0.4323%0.233SC..Hα-helixtrans-59.1-41.9175.6-72.6172.1-174.900111.3R276 I283 R284R276-E280 HydrophobicContact CG-CG 4.49Å; R276-E280 WeakPolarHBondContact CG-OE1 2.96Å; R276-E280 IonicContact CZ-OE1 3.45Å; R276-E280 IonicContact NE-OE1 2.72Å; R276-E280 PolarHBondContact NE-OE1 3.45Å; R276-E280 IonicContact NH2-OE1 2.7Å; R276-E280 WeakPolarHBondContact O-CG 3.34Å; R276-E280 PolarHBondContact O-N 2.9Å; E280-I283 PolarHBondContact O-N 3.22Å; E280-R284 WeakPolarHBondContact O-CB 3.32Å; E280-R284 PolarHBondContact O-N 3.45Å
281Q87.9Confident88.2Confident15 Ų1545.7 Ų45.77%0.0722%0.223CC..Hα-helixtrans-64-46176.7-178.7681200112.3D264 L267 I277 L278 E279 I283 R284 E285D264-Q281 PolarHBondContact OD2-NE2 3.21Å; D264-Q281 PolarHBondContact OD2-OE1 3.1Å; L267-Q281 HydrophobicContact CD1-CG 3.82Å; I277-Q281 VanDerWaalsContact O-CB 3.27Å; I277-Q281 WeakPolarHBondContact O-CB 3.31Å; I277-Q281 PolarHBondContact O-N 3.16Å; L278-Q281 PolarHBondContact O-N 3.38Å; E279-Q281 VanDerWaalsContact C-N 3.31Å; E279-Q281 PolarHBondContact O-N 2.8Å; Q281-I283 VanDerWaalsContact C-N 3.28Å; Q281-I283 PolarHBondContact O-N 2.77Å; Q281-R284 WeakPolarHBondContact O-CB 3.43Å; Q281-R284 PolarHBondContact O-N 2.76Å; Q281-R284 VanDerWaalsContact O-N 3.13Å; Q281-E285 HydrophobicContact CG-CG 4.34Å; Q281-E285 PolarHBondContact NE2-OE1 3.11Å; Q281-E285 PolarHBondContact O-N 3.03Å
282A87.9Confident89.1Confident37 Ų3744.3 Ų44.331%0.30621%0.206SC..Hα-helixtrans-62.7-36.8-179.200000112.3L278 E279 Y286L278-A282 WeakPolarHBondContact O-CB 3.48Å; L278-A282 PolarHBondContact O-N 3.17Å; E279-A282 PolarHBondContact O-N 3.29Å; A282-Y286 WeakPolarHBondContact O-CB 3.46Å; A282-Y286 PolarHBondContact O-N 2.93Å
283I90.1Very high89.8Confident77 Ų7737.7 Ų37.740%0.39518%0.181SC..Hα-helixtrans-67.3-45.1173.7-62.4168.4000109.8E279 E280 Q281 Y286 V287 L299 V302E279-I283 WeakPolarHBondContact O-CG1 3.35Å; E279-I283 PolarHBondContact O-N 3.11Å; E279-I283 VanDerWaalsContact O-N 3.14Å; E280-I283 PolarHBondContact O-N 3.22Å; Q281-I283 VanDerWaalsContact C-N 3.28Å; Q281-I283 PolarHBondContact O-N 2.77Å; I283-Y286 WeakPolarHBondContact O-CB 3.48Å; I283-Y286 PolarHBondContact O-N 2.85Å; I283-V287 HydrophobicContact CG2-CG2 4.33Å; I283-V287 VanDerWaalsContact O-CG2 3.31Å; I283-V287 WeakPolarHBondContact O-CG2 3.39Å; I283-V287 PolarHBondContact O-N 2.59Å; I283-L299 HydrophobicContact CB-CD2 4.32Å; I283-L299 HydrophobicContact CG2-CD2 3.65Å; I283-V302 HydrophobicContact CG2-CG2 4.06Å
284R90.9Very high89.9Confident29 Ų2938.6 Ų38.611%0.10919%0.187CC..Hα-helixtrans-58.3-51.4177.4175.2173.6154-123.7-10.1111.9D264 E280 Q281 Y286 V287 L288 R295 E297 L299D264-R284 IonicContact OD1-CZ 3.65Å; D264-R284 IonicContact OD1-NH1 2.79Å; D264-R284 PolarHBondContact OD1-NH1 2.79Å; D264-R284 IonicContact OD1-NH2 3.58Å; D264-R284 PolarHBondContact OD1-NH2 3.5Å; D264-R284 IonicContact OD2-CZ 3.57Å; D264-R284 IonicContact OD2-NH1 2.68Å; D264-R284 PolarHBondContact OD2-NH1 3.36Å; D264-R284 IonicContact OD2-NH2 3.97Å; D264-R284 PolarHBondContact OD2-NH2 3.39Å; E280-R284 WeakPolarHBondContact O-CB 3.32Å; E280-R284 PolarHBondContact O-N 3.45Å; Q281-R284 WeakPolarHBondContact O-CB 3.43Å; Q281-R284 PolarHBondContact O-N 2.76Å; Q281-R284 VanDerWaalsContact O-N 3.13Å; R284-Y286 VanDerWaalsContact C-N 3.27Å; R284-Y286 PolarHBondContact O-N 3.04Å; R284-V287 PolarHBondContact O-N 3.13Å; R284-L288 HydrophobicContact CG-CD1 3.9Å; R284-L288 HydrophobicContact CG-CG 4.07Å; R284-L288 VanDerWaalsContact O-CG 3.28Å; R284-L288 WeakPolarHBondContact O-CG 3.47Å; R284-L288 PolarHBondContact O-N 2.65Å; R284-R295 PolarHBondContact NH2-O 3.5Å; R284-E297 PolarHBondContact NE-O 3.19Å; R284-L299 HydrophobicContact CB-CB 4.09Å; R284-L299 HydrophobicContact CB-CD2 4.28Å; R284-L299 HydrophobicContact CG-CB 4.21Å
285E88.4Confident89.7Confident60 Ų6041.2 Ų41.228%0.2820%0.195SC..Hα-helixtrans-57.1-41.5178.9-73-179.4176.700111.9Q281 L288 A289Q281-E285 HydrophobicContact CG-CG 4.34Å; Q281-E285 PolarHBondContact NE2-OE1 3.11Å; Q281-E285 PolarHBondContact O-N 3.03Å; E285-L288 PolarHBondContact O-N 2.87Å; E285-A289 WeakPolarHBondContact O-CB 3.26Å; E285-A289 PolarHBondContact O-N 3.34Å
286Y91Very high89.5Confident36 Ų3643.8 Ų43.814%0.14122%0.218CC..Hα-helixtrans-60.2-46.6173165.5-109000112.7A282 I283 R284 A289 L290 R774A282-Y286 WeakPolarHBondContact O-CB 3.46Å; A282-Y286 PolarHBondContact O-N 2.93Å; I283-Y286 WeakPolarHBondContact O-CB 3.48Å; I283-Y286 PolarHBondContact O-N 2.85Å; R284-Y286 VanDerWaalsContact C-N 3.27Å; R284-Y286 PolarHBondContact O-N 3.04Å; Y286-A289 PolarHBondContact O-N 3.36Å; Y286-L290 HydrophobicContact CE1-CD2 4.27Å; Y286-L290 HydrophobicContact CE2-CB 4.48Å; Y286-L290 VanDerWaalsContact O-CB 3.27Å; Y286-L290 WeakPolarHBondContact O-CB 3.37Å; Y286-L290 PolarHBondContact O-N 3.37Å; Y286-R774 HydrophobicContact CD2-CB 3.9Å; Y286-R774 HydrophobicContact CD2-CG 4.18Å; Y286-R774 HydrophobicContact CE2-CB 3.77Å; Y286-R774 HydrophobicContact CE2-CG 4.35Å
287V93.3Very high89.6Confident1 Ų136.4 Ų36.41%0.00619%0.191CC..Hα-helixtrans-64.8-44.5179.71730000111.1I283 R284 A289 L290 F291 L299 Y321I283-V287 HydrophobicContact CG2-CG2 4.33Å; I283-V287 VanDerWaalsContact O-CG2 3.31Å; I283-V287 WeakPolarHBondContact O-CG2 3.39Å; I283-V287 PolarHBondContact O-N 2.59Å; R284-V287 PolarHBondContact O-N 3.13Å; V287-A289 VanDerWaalsContact C-N 3.32Å; V287-A289 PolarHBondContact O-N 3.23Å; V287-L290 PolarHBondContact O-N 2.83Å; V287-F291 HydrophobicContact CG1-CD2 4Å; V287-F291 HydrophobicContact CG1-CE2 4.39Å; V287-F291 WeakPolarHBondContact O-CD2 3.22Å; V287-F291 PolarHBondContact O-N 2.9Å; V287-F291 VanDerWaalsContact O-N 3.09Å; V287-L299 HydrophobicContact CG1-CD1 4.28Å; V287-L299 HydrophobicContact CG2-CD1 4.38Å; V287-L299 HydrophobicContact CG2-CD2 4.38Å; V287-Y321 HydrophobicContact CB-CD1 4.48Å; V287-Y321 HydrophobicContact CG1-CD1 4.3Å; V287-Y321 HydrophobicContact CG1-CG 4.16Å; V287-Y321 HydrophobicContact CG2-CD1 3.31Å; V287-Y321 HydrophobicContact CG2-CE1 3.53Å; V287-Y321 HydrophobicContact CG2-CG 3.94Å
288L92.4Very high89.8Confident19 Ų1940.3 Ų40.310%0.09921%0.206CC..Hα-helixtrans-60.5-43.1177.3-63.4-179000110.8R284 E285 R292 L293 E297R284-L288 HydrophobicContact CG-CD1 3.9Å; R284-L288 HydrophobicContact CG-CG 4.07Å; R284-L288 VanDerWaalsContact O-CG 3.28Å; R284-L288 WeakPolarHBondContact O-CG 3.47Å; R284-L288 PolarHBondContact O-N 2.65Å; E285-L288 PolarHBondContact O-N 2.87Å; L288-R292 CarbonylContact O-C 3.42Å; L288-R292 WeakPolarHBondContact O-CA 3.24Å; L288-R292 PolarHBondContact O-N 3.02Å; L288-L293 HydrophobicContact CD2-CB 3.67Å; L288-L293 HydrophobicContact CD2-CD1 4.26Å; L288-L293 PolarHBondContact O-N 3.05Å; L288-E297 HydrophobicContact CD2-CB 3.78Å
289A91Very high89.9Confident30 Ų3042.3 Ų42.325%0.24822%0.216CC..Hα-helixtrans-68-43.217700000112.7E285 Y286 V287 F291 R292 V773 E777E285-A289 WeakPolarHBondContact O-CB 3.26Å; E285-A289 PolarHBondContact O-N 3.34Å; Y286-A289 PolarHBondContact O-N 3.36Å; V287-A289 VanDerWaalsContact C-N 3.32Å; V287-A289 PolarHBondContact O-N 3.23Å; A289-F291 PolarHBondContact O-N 2.88Å; A289-R292 PolarHBondContact O-N 3Å; A289-V773 HydrophobicContact CB-CG1 3.71Å; A289-E777 HydrophobicContact CB-CG 3.98Å
290L91.9Very high90.1Very high18 Ų1843.7 Ų43.79%0.09422%0.219CC..Hα-helixtrans-61.2-46.2-178177.963.4000112.1Y286 V287 V773Y286-L290 HydrophobicContact CE1-CD2 4.27Å; Y286-L290 HydrophobicContact CE2-CB 4.48Å; Y286-L290 VanDerWaalsContact O-CB 3.27Å; Y286-L290 WeakPolarHBondContact O-CB 3.37Å; Y286-L290 PolarHBondContact O-N 3.37Å; V287-L290 PolarHBondContact O-N 2.83Å; L290-V773 HydrophobicContact CD1-CG2 4.3Å
291F93.2Very high90.2Very high3 Ų341.6 Ų41.61%0.01321%0.209CC..Hα-helixtrans-96.6-2.2-177.9-65.9-75.6000113.5V287 A289 L293 Y321 C328 F329V287-F291 HydrophobicContact CG1-CD2 4Å; V287-F291 HydrophobicContact CG1-CE2 4.39Å; V287-F291 WeakPolarHBondContact O-CD2 3.22Å; V287-F291 PolarHBondContact O-N 2.9Å; V287-F291 VanDerWaalsContact O-N 3.09Å; A289-F291 PolarHBondContact O-N 2.88Å; F291-L293 HydrophobicContact CB-CD1 4.15Å; F291-L293 HydrophobicContact CB-CD2 3.87Å; F291-L293 HydrophobicContact CB-CG 3.71Å; F291-Y321 AromaticContact CE2-CD2 3.67Å; F291-Y321 HydrophobicContact CE2-CD2 3.67Å; F291-Y321 HydrophobicContact CE2-CE2 4.11Å; F291-Y321 HydrophobicContact CE2-CG 4.37Å; F291-Y321 HydrophobicContact CZ-CD2 4.1Å; F291-Y321 HydrophobicContact CZ-CE2 4.46Å; F291-C328 HydrophobicContact CD1-CB 3.84Å; F291-C328 HydrophobicContact CD2-CB 3.67Å; F291-C328 HydrophobicContact CE1-CB 3.67Å; F291-C328 HydrophobicContact CE2-CB 3.49Å; F291-C328 VanDerWaalsContact CE2-CB 3.49Å; F291-C328 HydrophobicContact CG-CB 3.85Å; F291-C328 HydrophobicContact CZ-CB 3.49Å; F291-C328 VanDerWaalsContact CZ-CB 3.49Å; F291-F329 WeakPolarHBondContact CE1-O 3.36Å; F291-F329 WeakPolarHBondContact CZ-O 3.26Å
292R92.1Very high90.5Very high26 Ų2644.4 Ų44.410%0.09823%0.227CC..THydrogen-bonded Turntrans54.551.4-176-59.5163.6-72.8-8813.3111.1L288 A289 R611 F682L288-R292 CarbonylContact O-C 3.42Å; L288-R292 WeakPolarHBondContact O-CA 3.24Å; L288-R292 PolarHBondContact O-N 3.02Å; A289-R292 PolarHBondContact O-N 3Å; R292-R611 WeakPolarHBondContact O-CD 3.31Å; R292-R611 WeakPolarHBondContact O-CG 3.43Å; R292-R611 PolarHBondContact O-NH1 2.95Å; R292-F682 VanDerWaalsContact CZ-O 3.28Å; R292-F682 PolarHBondContact NH1-O 2.9Å; R292-F682 PolarHBondContact NH2-O 2.81Å
293L91.9Very high90.8Very high4 Ų443.7 Ų43.72%0.02122%0.221CC..  trans-88.6154.7-179.5-56.3-178.6000111.5L288 F291 E297 T323 Y326 L340 R611L288-L293 HydrophobicContact CD2-CB 3.67Å; L288-L293 HydrophobicContact CD2-CD1 4.26Å; L288-L293 PolarHBondContact O-N 3.05Å; F291-L293 HydrophobicContact CB-CD1 4.15Å; F291-L293 HydrophobicContact CB-CD2 3.87Å; F291-L293 HydrophobicContact CB-CG 3.71Å; L293-E297 HydrophobicContact CB-CG 4.43Å; L293-T323 HydrophobicContact CD1-CG2 3.83Å; L293-Y326 HydrophobicContact CD1-CD2 4.45Å; L293-Y326 HydrophobicContact CD2-CD1 4.17Å; L293-Y326 HydrophobicContact CD2-CD2 3.93Å; L293-Y326 HydrophobicContact CD2-CE1 4.39Å; L293-Y326 HydrophobicContact CD2-CE2 4.18Å; L293-Y326 HydrophobicContact CD2-CG 3.93Å; L293-L340 HydrophobicContact CD2-CD1 3.69Å; L293-L340 HydrophobicContact CD2-CD2 4.22Å; L293-R611 WeakPolarHBondContact O-CG 3.45Å
294P88.6Confident91.1Very high21 Ų2144.3 Ų44.314%0.13623%0.23CC..  trans-55.3141.2175.4-25.334.1000112.5S296 E297P294-S296 PolarHBondContact O-N 2.95Å; P294-S296 VanDerWaalsContact O-N 3.11Å; P294-E297 HydrophobicContact CB-CG 4.22Å; P294-E297 HydrophobicContact CG-CG 4.38Å; P294-E297 WeakPolarHBondContact O-CB 3.36Å; P294-E297 PolarHBondContact O-N 3.41Å
295R82.9Confident91.3Very high72 Ų7243.1 Ų43.127%0.27223%0.226SC..THydrogen-bonded Turntrans-58-27.5179.9-75.8-178.3153.7-170-11.1113.6R284 E297 D615R284-R295 PolarHBondContact NH2-O 3.5Å; R295-E297 VanDerWaalsContact C-N 3.26Å; R295-E297 PolarHBondContact O-N 3.02Å; R295-D615 IonicContact CZ-OD1 3.57Å; R295-D615 IonicContact CZ-OD2 2.93Å; R295-D615 IonicContact NH1-OD1 3.02Å; R295-D615 PolarHBondContact NH1-OD1 3.01Å; R295-D615 IonicContact NH1-OD2 2.65Å; R295-D615 PolarHBondContact NH1-OD2 3.26Å; R295-D615 IonicContact NH2-OD1 3.78Å; R295-D615 IonicContact NH2-OD2 3.33Å; R295-D615 PolarHBondContact NH2-OD2 2.7Å
296S85.3Confident91.7Very high91 Ų9140.9 Ų40.964%0.63622%0.217SC*.THydrogen-bonded Turntrans-71.1-16.417953.30000114.3P294 K298P294-S296 PolarHBondContact O-N 2.95Å; P294-S296 VanDerWaalsContact O-N 3.11Å; S296-K298 PolarHBondContact O-N 2.76Å
297E89.6Confident91.9Very high11 Ų1139.2 Ų39.25%0.05121%0.211CC..PPolyproline II helixtrans-67.2130-179.5-71.3-71.5135.500111.3R284 L288 L293 P294 R295 T323 D324 S325 Y326R284-E297 PolarHBondContact NE-O 3.19Å; L288-E297 HydrophobicContact CD2-CB 3.78Å; L293-E297 HydrophobicContact CB-CG 4.43Å; P294-E297 HydrophobicContact CB-CG 4.22Å; P294-E297 HydrophobicContact CG-CG 4.38Å; P294-E297 WeakPolarHBondContact O-CB 3.36Å; P294-E297 PolarHBondContact O-N 3.41Å; R295-E297 VanDerWaalsContact C-N 3.26Å; R295-E297 PolarHBondContact O-N 3.02Å; E297-T323 WeakPolarHBondContact OE2-CB 3.43Å; E297-T323 PolarHBondContact OE2-OG1 3.34Å; E297-D324 WeakPolarHBondContact OE2-CB 2.9Å; E297-D324 PolarHBondContact OE2-N 3.15Å; E297-S325 WeakPolarHBondContact OE1-CB 3.44Å; E297-S325 PolarHBondContact OE1-OG 3.26Å; E297-S325 PolarHBondContact OE2-N 2.98Å; E297-Y326 HydrophobicContact CG-CD2 4.17Å; E297-Y326 HydrophobicContact CG-CE2 4.14Å
298K90.7Very high91.9Very high122 Ų12243.9 Ų43.953%0.5323%0.228SC..PPolyproline II helixtrans-94.8136.7172.6-63.4175.1-176.31720110.2S296 Y300 T323 D324S296-K298 PolarHBondContact O-N 2.76Å; K298-Y300 HydrophobicContact CB-CE2 4.08Å; K298-Y300 WeakPolarHBondContact O-CD2 3.37Å; K298-T323 WeakPolarHBondContact O-CA 3.25Å; K298-T323 WeakPolarHBondContact O-CB 3.38Å; K298-D324 WeakPolarHBondContact CB-OD2 3.38Å; K298-D324 PolarHBondContact N-OD2 2.76Å; K298-D324 PolarHBondContact O-N 3.03Å
299L92.9Very high91.8Very high42 Ų4243 Ų4322%0.2222%0.224CC..EExtended strand (participates in β ladder)trans-82.4129.8172.9-175.766.4000109.3I283 R284 V287 V302 Y321 T323I283-L299 HydrophobicContact CB-CD2 4.32Å; I283-L299 HydrophobicContact CG2-CD2 3.65Å; R284-L299 HydrophobicContact CB-CB 4.09Å; R284-L299 HydrophobicContact CB-CD2 4.28Å; R284-L299 HydrophobicContact CG-CB 4.21Å; V287-L299 HydrophobicContact CG1-CD1 4.28Å; V287-L299 HydrophobicContact CG2-CD1 4.38Å; V287-L299 HydrophobicContact CG2-CD2 4.38Å; L299-V302 HydrophobicContact CD1-CG2 4.22Å; L299-V302 HydrophobicContact CD2-CG2 3.73Å; L299-V302 HydrophobicContact CG-CG2 4.17Å; L299-Y321 HydrophobicContact CD1-CD1 4.46Å; L299-T323 HydrophobicContact CD1-CG2 4.48Å
300Y91.6Very high91.4Very high111 Ų11144.5 Ų44.544%0.43523%0.231SC..EExtended strand (participates in β ladder)trans-107.6-51.7178.7-71.1-87.1000112.2K298 T322 D324K298-Y300 HydrophobicContact CB-CE2 4.08Å; K298-Y300 WeakPolarHBondContact O-CD2 3.37Å; Y300-T322 PolarHBondContact N-O 3.01Å; Y300-D324 HydrophobicContact CE2-CB 4.39Å; Y300-D324 WeakPolarHBondContact CE2-OD1 3.34Å; Y300-D324 VanDerWaalsContact CZ-OD1 3.28Å; Y300-D324 PolarHBondContact OH-OD1 2.91Å
301E91.3Very high91Very high49 Ų4946.3 Ų46.323%0.22924%0.239CC..EExtended strand (participates in β ladder)trans-134.8138.6-171.7-63.6174.6-140.200110.9Y321 T322 L383 S386E301-Y321 WeakPolarHBondContact O-CA 3.42Å; E301-T322 WeakPolarHBondContact CB-OG1 3.27Å; E301-T322 PolarHBondContact N-OG1 2.86Å; E301-T322 PolarHBondContact O-N 3.49Å; E301-L383 VanDerWaalsContact OE2-CB 3.25Å; E301-L383 WeakPolarHBondContact OE2-CB 3.38Å; E301-L383 WeakPolarHBondContact OE2-CD1 3.46Å; E301-S386 WeakPolarHBondContact OE1-CB 3.3Å; E301-S386 PolarHBondContact OE1-OG 3.01Å
302V94.4Very high90.6Very high74 Ų7448.7 Ų48.745%0.44826%0.256SS..EExtended strand (participates in β ladder)trans-128.8108.6174.8-179.20000106.2I283 L299 T319 L320 Y321I283-V302 HydrophobicContact CG2-CG2 4.06Å; L299-V302 HydrophobicContact CD1-CG2 4.22Å; L299-V302 HydrophobicContact CD2-CG2 3.73Å; L299-V302 HydrophobicContact CG-CG2 4.17Å; V302-T319 HydrophobicContact CG1-CG2 3.81Å; V302-L320 WeakPolarHBondContact CA-O 3.17Å; V302-Y321 HydrophobicContact CB-CD1 4.46Å; V302-Y321 HydrophobicContact CG1-CD1 4.08Å; V302-Y321 HydrophobicContact CG1-CE1 3.76Å; V302-Y321 HydrophobicContact CG2-CD1 3.99Å; V302-Y321 HydrophobicContact CG2-CE1 4.31Å
303A94.1Very high90.4Very high22 Ų2257.2 Ų57.218%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-136136.8-173.600000111.5C305 T319 L320 L377A303-C305 PolarHBondContact O-N 2.83Å; A303-T319 CarbonylContact O-C 3.49Å; A303-T319 WeakPolarHBondContact O-CA 3.22Å; A303-L320 PolarHBondContact N-O 2.98Å; A303-L320 WeakPolarHBondContact O-CB 2.99Å; A303-L320 PolarHBondContact O-N 3.16Å; A303-L377 HydrophobicContact CB-CD2 4.32Å
304P95.8Very high90.4Very high89 Ų8959.6 Ų59.658%0.57831%0.305SS*.EExtended strand (participates in β ladder)trans-61.9138167.228.9-33.3000109.1
305C95.4Very high90.6Very high4 Ų461.1 Ų61.13%0.02731%0.31CS..EExtended strand (participates in β ladder)trans-155.7170.5175.775.70000110.7A303 G318 L320 I375 L377A303-C305 PolarHBondContact O-N 2.83Å; C305-G318 PolarHBondContact N-O 3.41Å; C305-G318 CarbonylContact O-C 3.53Å; C305-G318 PolarHBondContact O-N 2.98Å; C305-L320 HydrophobicContact CB-CB 4.34Å; C305-I375 WeakPolarHBondContact CA-O 3.29Å; C305-I375 WeakPolarHBondContact CB-O 3.49Å; C305-L377 HydrophobicContact CB-CD2 3.61Å; C305-L377 HydrophobicContact CB-CG 4.14Å
306S95.6Very high91.1Very high13 Ų1358.9 Ų58.99%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-122.6131.3168.7-45.50000110.5T316 L374 I375 D376S306-T316 CarbonylContact C-O 3.54Å; S306-T316 VanDerWaalsContact CA-O 3.26Å; S306-T316 WeakPolarHBondContact CA-O 3.21Å; S306-L374 CarbonylContact O-C 3.47Å; S306-L374 WeakPolarHBondContact O-CA 3.23Å; S306-I375 PolarHBondContact N-O 3.27Å; S306-I375 PolarHBondContact O-N 3.4Å; S306-D376 PolarHBondContact OG-OD2 3.17Å
307V95.2Very high91.6Very high1 Ų157 Ų571%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-104.9132.8-179.5174.50000109.9T309 H315 T316 F329 L339 L374 F485V307-T309 PolarHBondContact O-N 2.93Å; V307-H315 CarbonylContact O-C 3.55Å; V307-H315 WeakPolarHBondContact O-CA 3.4Å; V307-T316 PolarHBondContact N-O 2.92Å; V307-T316 PolarHBondContact O-N 3.49Å; V307-F329 HydrophobicContact CB-CD1 4.24Å; V307-F329 HydrophobicContact CB-CD2 4.26Å; V307-F329 HydrophobicContact CB-CE1 4.15Å; V307-F329 HydrophobicContact CB-CE2 4.13Å; V307-F329 HydrophobicContact CB-CG 4.29Å; V307-F329 HydrophobicContact CB-CZ 4.09Å; V307-F329 HydrophobicContact CG2-CB 4.09Å; V307-F329 HydrophobicContact CG2-CD1 3.95Å; V307-F329 HydrophobicContact CG2-CD2 3.32Å; V307-F329 HydrophobicContact CG2-CE1 4.2Å; V307-F329 HydrophobicContact CG2-CE2 3.59Å; V307-F329 HydrophobicContact CG2-CG 3.51Å; V307-F329 HydrophobicContact CG2-CZ 4.03Å; V307-L339 HydrophobicContact CG1-CD2 4.24Å; V307-L374 HydrophobicContact CG2-CD2 3.91Å; V307-L374 HydrophobicContact CG2-CG 4.01Å; V307-F485 HydrophobicContact CG1-CE1 4.16Å
308W93.6Very high91.9Very high100 Ų10057 Ų5738%0.37930%0.297SS..EExtended strand (participates in β ladder)trans-64.8116.8172178.6-99.9000110.5R313 H315 Q373W308-R313 HydrophobicContact CH2-CB 4.39Å; W308-R313 WeakPolarHBondContact CH2-O 3.46Å; W308-R313 HydrophobicContact CZ2-CB 4.44Å; W308-R313 WeakPolarHBondContact CZ3-O 3.37Å; W308-H315 AromaticContact CE3-CE1 3.63Å; W308-H315 AromaticContact CE3-ND1 3.78Å; W308-H315 AromaticContact CE3-NE2 3.91Å; W308-Q373 HydrophobicContact CB-CB 4.09Å; W308-Q373 PolarHBondContact N-O 2.95Å
309T90Very high92.2Very high0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-106.5115.8178.451.30000110.6V307 H311 S312 R313 S314 T316 F485V307-T309 PolarHBondContact O-N 2.93Å; T309-H311 VanDerWaalsContact C-N 3.26Å; T309-H311 VanDerWaalsContact CB-CE1 3.42Å; T309-H311 WeakPolarHBondContact CB-CE1 3.36Å; T309-H311 PolarHBondContact O-N 3.35Å; T309-S312 PolarHBondContact O-N 3.31Å; T309-S312 PolarHBondContact O-OG 3.1Å; T309-S312 WeakPolarHBondContact OG1-CB 3.22Å; T309-S312 PolarHBondContact OG1-OG 3.42Å; T309-R313 PolarHBondContact O-N 3.12Å; T309-S314 PolarHBondContact N-O 3.27Å; T309-S314 PolarHBondContact OG1-O 3.43Å; T309-T316 VanDerWaalsContact CG2-OG1 3.3Å; T309-T316 WeakPolarHBondContact CG2-OG1 3.38Å; T309-T316 PolarHBondContact OG1-OG1 2.71Å; T309-F485 HydrophobicContact CG2-CD1 4.19Å; T309-F485 HydrophobicContact CG2-CE1 3.87Å
310P84.1Confident92.3Very high62 Ų6251.1 Ų51.140%0.40327%0.273SS..THydrogen-bonded Turntrans-58.2-35-175.3-27.335000114.4R313 F485P310-R313 WeakPolarHBondContact O-CG 3.46Å; P310-R313 PolarHBondContact O-N 3.17Å; P310-F485 HydrophobicContact CG-CE2 3.84Å; P310-F485 HydrophobicContact CG-CZ 4.46Å
311H82.2Confident92.6Very high56 Ų5646.8 Ų46.826%0.25926%0.256SS..THydrogen-bonded Turntrans-70.7-34.5-178.658-93.7000113.1T309 E477 F478T309-H311 VanDerWaalsContact C-N 3.26Å; T309-H311 VanDerWaalsContact CB-CE1 3.42Å; T309-H311 WeakPolarHBondContact CB-CE1 3.36Å; T309-H311 PolarHBondContact O-N 3.35Å; H311-E477 HydrophobicContact CB-CG 4.29Å; H311-E477 WeakPolarHBondContact CB-OE1 3.39Å; H311-F478 HydrophobicContact CB-CD1 4.2Å; H311-F478 HydrophobicContact CB-CE1 3.44Å; H311-F478 VanDerWaalsContact CB-CE1 3.44Å; H311-F478 HydrophobicContact CB-CZ 3.71Å; H311-F478 AromaticContact CD2-CE1 3.98Å; H311-F478 AromaticContact CG-CE1 3.35Å; H311-F478 AromaticContact ND1-CD1 3.66Å; H311-F478 AromaticContact ND1-CE1 3.4Å; H311-F478 WeakPolarHBondContact ND1-CE1 3.36Å
312S84.7Confident92.8Very high52 Ų5244.5 Ų44.536%0.36425%0.245SC..THydrogen-bonded Turntrans-88.7-17.7176.183.50000112.5T309 S314T309-S312 PolarHBondContact O-N 3.31Å; T309-S312 PolarHBondContact O-OG 3.1Å; T309-S312 WeakPolarHBondContact OG1-CB 3.22Å; T309-S312 PolarHBondContact OG1-OG 3.42Å; S312-S314 PolarHBondContact O-N 3.04Å; S312-S314 PolarHBondContact OG-N 2.83Å; S312-S314 VanDerWaalsContact OG-N 3.12Å; S312-S314 PolarHBondContact OG-O 3.4Å; S312-S314 PolarHBondContact OG-OG 2.93Å
313R88.9Confident92.8Very high206 Ų20641 Ų4178%0.77722%0.224SC*.THydrogen-bonded Turntrans52.836.8-170.6-55.7-178.3178.7-177.20112.2W308 T309 P310W308-R313 HydrophobicContact CH2-CB 4.39Å; W308-R313 WeakPolarHBondContact CH2-O 3.46Å; W308-R313 HydrophobicContact CZ2-CB 4.44Å; W308-R313 WeakPolarHBondContact CZ3-O 3.37Å; T309-R313 PolarHBondContact O-N 3.12Å; P310-R313 WeakPolarHBondContact O-CG 3.46Å; P310-R313 PolarHBondContact O-N 3.17Å
314S91.9Very high92.7Very high54 Ų5441.9 Ų41.938%0.37823%0.226SC..EExtended strand (participates in β ladder)trans-149.1166.7-179.771.80000111.2T309 S312T309-S314 PolarHBondContact N-O 3.27Å; T309-S314 PolarHBondContact OG1-O 3.43Å; S312-S314 PolarHBondContact O-N 3.04Å; S312-S314 PolarHBondContact OG-N 2.83Å; S312-S314 VanDerWaalsContact OG-N 3.12Å; S312-S314 PolarHBondContact OG-O 3.4Å; S312-S314 PolarHBondContact OG-OG 2.93Å
315H92.6Very high92.5Very high52 Ų5239.3 Ų39.324%0.24121%0.21CC..EExtended strand (participates in β ladder)trans-81.3117.8170.5-64.592000110.1V307 W308 Q373 I375V307-H315 CarbonylContact O-C 3.55Å; V307-H315 WeakPolarHBondContact O-CA 3.4Å; W308-H315 AromaticContact CE3-CE1 3.63Å; W308-H315 AromaticContact CE3-ND1 3.78Å; W308-H315 AromaticContact CE3-NE2 3.91Å; H315-Q373 PolarHBondContact NE2-OE1 3.14Å; H315-I375 HydrophobicContact CB-CD1 3.88Å; H315-I375 HydrophobicContact CB-CG1 4.35Å
316T94.4Very high92.4Very high26 Ų2639.7 Ų39.716%0.1621%0.211CC..EExtended strand (participates in β ladder)trans-86.4119.3175.8-56.90000109.1S306 V307 T309 F329S306-T316 CarbonylContact C-O 3.54Å; S306-T316 VanDerWaalsContact CA-O 3.26Å; S306-T316 WeakPolarHBondContact CA-O 3.21Å; V307-T316 PolarHBondContact N-O 2.92Å; V307-T316 PolarHBondContact O-N 3.49Å; T309-T316 VanDerWaalsContact CG2-OG1 3.3Å; T309-T316 WeakPolarHBondContact CG2-OG1 3.38Å; T309-T316 PolarHBondContact OG1-OG1 2.71Å; T316-F329 HydrophobicContact CG2-CZ 4.46Å; T316-F329 VanDerWaalsContact O-CZ 3.28Å; T316-F329 WeakPolarHBondContact O-CZ 3.48Å
317A95.3Very high92.4Very high52 Ų5239.2 Ų39.243%0.4321%0.207SC..EExtended strand (participates in β ladder)trans-71.3140.2177.800000111.9R332A317-R332 PolarHBondContact O-N 2.89Å
318G95.8Very high92.5Very high9 Ų939.1 Ų39.19%0.09321%0.207CC..EExtended strand (participates in β ladder)trans-173.8-154-178.500000113C305 S330C305-G318 PolarHBondContact N-O 3.41Å; C305-G318 CarbonylContact O-C 3.53Å; C305-G318 PolarHBondContact O-N 2.98Å; G318-S330 CarbonylContact C-O 3.46Å; G318-S330 WeakPolarHBondContact CA-O 3.47Å
319T96.2Very high92.7Very high39 Ų3934.4 Ų34.424%0.23919%0.189CC..EExtended strand (participates in β ladder)trans-126.4130-179.1-50.30000109.8V302 A303 Y321 F329 S330V302-T319 HydrophobicContact CG1-CG2 3.81Å; A303-T319 CarbonylContact O-C 3.49Å; A303-T319 WeakPolarHBondContact O-CA 3.22Å; T319-Y321 HydrophobicContact CG2-CD1 4.46Å; T319-Y321 HydrophobicContact CG2-CD2 4.49Å; T319-Y321 HydrophobicContact CG2-CE1 3.82Å; T319-Y321 HydrophobicContact CG2-CE2 3.85Å; T319-Y321 VanDerWaalsContact CG2-CZ 3.47Å; T319-F329 WeakPolarHBondContact O-CA 3.48Å; T319-S330 PolarHBondContact N-O 3.37Å; T319-S330 PolarHBondContact O-N 2.98Å
320L96.3Very high92.9Very high3 Ų334.7 Ų34.72%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-84.7135.9169.3-175.466.5000109.5V302 A303 C305 T322 L327 C328 L374 L377 L383V302-L320 WeakPolarHBondContact CA-O 3.17Å; A303-L320 PolarHBondContact N-O 2.98Å; A303-L320 WeakPolarHBondContact O-CB 2.99Å; A303-L320 PolarHBondContact O-N 3.16Å; C305-L320 HydrophobicContact CB-CB 4.34Å; L320-T322 HydrophobicContact CD2-CG2 4.22Å; L320-T322 HydrophobicContact CG-CG2 4.15Å; L320-L327 HydrophobicContact CD1-CD1 3.96Å; L320-L327 HydrophobicContact CD1-CD2 3.63Å; L320-L327 HydrophobicContact CD1-CG 3.6Å; L320-C328 WeakPolarHBondContact CA-O 3.41Å; L320-L374 HydrophobicContact CD1-CD2 3.68Å; L320-L374 HydrophobicContact CD2-CD2 4.38Å; L320-L377 HydrophobicContact CD2-CD2 3.8Å; L320-L383 HydrophobicContact CD2-CD1 4.25Å; L320-L383 HydrophobicContact CD2-CD2 3.73Å
321Y96.5Very high93.5Very high20 Ų2032.1 Ų32.18%0.07818%0.175CC..EExtended strand (participates in β ladder)trans-125134.2169.6-52.5-87.8000108.4V287 F291 L299 E301 V302 T319 C328V287-Y321 HydrophobicContact CB-CD1 4.48Å; V287-Y321 HydrophobicContact CG1-CD1 4.3Å; V287-Y321 HydrophobicContact CG1-CG 4.16Å; V287-Y321 HydrophobicContact CG2-CD1 3.31Å; V287-Y321 HydrophobicContact CG2-CE1 3.53Å; V287-Y321 HydrophobicContact CG2-CG 3.94Å; F291-Y321 AromaticContact CE2-CD2 3.67Å; F291-Y321 HydrophobicContact CE2-CD2 3.67Å; F291-Y321 HydrophobicContact CE2-CE2 4.11Å; F291-Y321 HydrophobicContact CE2-CG 4.37Å; F291-Y321 HydrophobicContact CZ-CD2 4.1Å; F291-Y321 HydrophobicContact CZ-CE2 4.46Å; L299-Y321 HydrophobicContact CD1-CD1 4.46Å; E301-Y321 WeakPolarHBondContact O-CA 3.42Å; V302-Y321 HydrophobicContact CB-CD1 4.46Å; V302-Y321 HydrophobicContact CG1-CD1 4.08Å; V302-Y321 HydrophobicContact CG1-CE1 3.76Å; V302-Y321 HydrophobicContact CG2-CD1 3.99Å; V302-Y321 HydrophobicContact CG2-CE1 4.31Å; T319-Y321 HydrophobicContact CG2-CD1 4.46Å; T319-Y321 HydrophobicContact CG2-CD2 4.49Å; T319-Y321 HydrophobicContact CG2-CE1 3.82Å; T319-Y321 HydrophobicContact CG2-CE2 3.85Å; T319-Y321 VanDerWaalsContact CG2-CZ 3.47Å; Y321-C328 PolarHBondContact N-O 3.09Å; Y321-C328 PolarHBondContact O-N 3.32Å
322T95.8Very high93.9Very high0 Ų040.3 Ų40.30%020%0.203CC..EExtended strand (participates in β ladder)trans-122.2136.1173.973.30000111.4Y300 E301 L320 L383 M387 R390Y300-T322 PolarHBondContact N-O 3.01Å; E301-T322 WeakPolarHBondContact CB-OG1 3.27Å; E301-T322 PolarHBondContact N-OG1 2.86Å; E301-T322 PolarHBondContact O-N 3.49Å; L320-T322 HydrophobicContact CD2-CG2 4.22Å; L320-T322 HydrophobicContact CG-CG2 4.15Å; T322-L383 HydrophobicContact CG2-CD1 3.92Å; T322-M387 HydrophobicContact CG2-SD 4.25Å; T322-R390 PolarHBondContact OG1-NH2 3.13Å
323T94.5Very high93.9Very high1 Ų144.2 Ų44.21%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-121.3-172.8178.174.30000111.6L293 E297 K298 L299 S325 Y326 R390L293-T323 HydrophobicContact CD1-CG2 3.83Å; E297-T323 WeakPolarHBondContact OE2-CB 3.43Å; E297-T323 PolarHBondContact OE2-OG1 3.34Å; K298-T323 WeakPolarHBondContact O-CA 3.25Å; K298-T323 WeakPolarHBondContact O-CB 3.38Å; L299-T323 HydrophobicContact CD1-CG2 4.48Å; T323-S325 VanDerWaalsContact C-N 3.27Å; T323-S325 PolarHBondContact O-N 3.08Å; T323-Y326 PolarHBondContact N-O 2.74Å; T323-Y326 WeakPolarHBondContact OG1-CB 3.23Å; T323-Y326 PolarHBondContact OG1-N 3.23Å; T323-Y326 VanDerWaalsContact OG1-N 3.11Å; T323-R390 PolarHBondContact O-NE 3.17Å
324D91.3Very high93.3Very high41 Ų4138.8 Ų38.822%0.21920%0.199CC..SBendtrans-56.5-44.4176.8-71.7-59.7000111.3E297 K298 Y300E297-D324 WeakPolarHBondContact OE2-CB 2.9Å; E297-D324 PolarHBondContact OE2-N 3.15Å; K298-D324 WeakPolarHBondContact CB-OD2 3.38Å; K298-D324 PolarHBondContact N-OD2 2.76Å; K298-D324 PolarHBondContact O-N 3.03Å; Y300-D324 HydrophobicContact CE2-CB 4.39Å; Y300-D324 WeakPolarHBondContact CE2-OD1 3.34Å; Y300-D324 VanDerWaalsContact CZ-OD1 3.28Å; Y300-D324 PolarHBondContact OH-OD1 2.91Å
325S91.6Very high92.5Very high34 Ų3438.2 Ų38.224%0.23820%0.201CC..SBendtrans-119.8-4.5-170.7-44.20000114.2E297 T323 L343E297-S325 WeakPolarHBondContact OE1-CB 3.44Å; E297-S325 PolarHBondContact OE1-OG 3.26Å; E297-S325 PolarHBondContact OE2-N 2.98Å; T323-S325 VanDerWaalsContact C-N 3.27Å; T323-S325 PolarHBondContact O-N 3.08Å; S325-L343 WeakPolarHBondContact O-CB 3.48Å; S325-L343 WeakPolarHBondContact O-CG 3.3Å; S325-L343 PolarHBondContact O-N 2.86Å
326Y94.6Very high92.1Very high12 Ų1237.6 Ų37.65%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-133.8150.7-173-57.3-88.8000114.2L293 E297 T323 L340 I341 P342 D512L293-Y326 HydrophobicContact CD1-CD2 4.45Å; L293-Y326 HydrophobicContact CD2-CD1 4.17Å; L293-Y326 HydrophobicContact CD2-CD2 3.93Å; L293-Y326 HydrophobicContact CD2-CE1 4.39Å; L293-Y326 HydrophobicContact CD2-CE2 4.18Å; L293-Y326 HydrophobicContact CD2-CG 3.93Å; E297-Y326 HydrophobicContact CG-CD2 4.17Å; E297-Y326 HydrophobicContact CG-CE2 4.14Å; T323-Y326 PolarHBondContact N-O 2.74Å; T323-Y326 WeakPolarHBondContact OG1-CB 3.23Å; T323-Y326 PolarHBondContact OG1-N 3.23Å; T323-Y326 VanDerWaalsContact OG1-N 3.11Å; Y326-L340 HydrophobicContact CD1-CD1 3.62Å; Y326-L340 HydrophobicContact CD1-CG 4.2Å; Y326-L340 HydrophobicContact CE1-CD1 4.41Å; Y326-L340 HydrophobicContact CG-CD1 4.07Å; Y326-I341 WeakPolarHBondContact CA-O 3.42Å; Y326-P342 HydrophobicContact CD1-CB 4.27Å; Y326-P342 HydrophobicContact CD1-CG 4.34Å; Y326-P342 HydrophobicContact CE1-CB 4.12Å; Y326-P342 HydrophobicContact CE1-CG 4.14Å; Y326-D512 WeakPolarHBondContact CE1-OD2 3.26Å; Y326-D512 VanDerWaalsContact CZ-OD2 3.23Å; Y326-D512 PolarHBondContact OH-OD2 3.48Å
327L96.1Very high92Very high3 Ų336.4 Ų36.42%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-111.5126.2158.1178.5158.5000108.1L320 I341 L343 V364 M387L320-L327 HydrophobicContact CD1-CD1 3.96Å; L320-L327 HydrophobicContact CD1-CD2 3.63Å; L320-L327 HydrophobicContact CD1-CG 3.6Å; L327-I341 HydrophobicContact CB-CB 4.29Å; L327-I341 HydrophobicContact CD2-CB 4.5Å; L327-I341 HydrophobicContact CD2-CD1 4.09Å; L327-I341 HydrophobicContact CD2-CG1 4.36Å; L327-I341 PolarHBondContact N-O 3.11Å; L327-I341 PolarHBondContact O-N 2.84Å; L327-L343 HydrophobicContact CB-CD2 4.47Å; L327-V364 HydrophobicContact CD1-CG2 4.17Å; L327-M387 HydrophobicContact CB-CE 3.94Å; L327-M387 HydrophobicContact CD1-CE 3.36Å; L327-M387 HydrophobicContact CD1-SD 3.99Å; L327-M387 HydrophobicContact CG-CE 4.15Å
328C96.7Very high92Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-125.6144.5-176.7-44.40000110.8F291 L320 Y321 L339 L340F291-C328 HydrophobicContact CD1-CB 3.84Å; F291-C328 HydrophobicContact CD2-CB 3.67Å; F291-C328 HydrophobicContact CE1-CB 3.67Å; F291-C328 HydrophobicContact CE2-CB 3.49Å; F291-C328 VanDerWaalsContact CE2-CB 3.49Å; F291-C328 HydrophobicContact CG-CB 3.85Å; F291-C328 HydrophobicContact CZ-CB 3.49Å; F291-C328 VanDerWaalsContact CZ-CB 3.49Å; L320-C328 WeakPolarHBondContact CA-O 3.41Å; Y321-C328 PolarHBondContact N-O 3.09Å; Y321-C328 PolarHBondContact O-N 3.32Å; C328-L339 CarbonylContact C-O 3.1Å; C328-L339 WeakPolarHBondContact CA-O 3.27Å; C328-L340 HydrophobicContact CB-CD1 4.44Å; C328-L340 WeakPolarHBondContact SG-CD1 3.49Å
329F96.9Very high92Very high0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-132.1137174.6168.4-93.6000110.6F291 V307 T316 T319 T338 L339F291-F329 WeakPolarHBondContact CE1-O 3.36Å; F291-F329 WeakPolarHBondContact CZ-O 3.26Å; V307-F329 HydrophobicContact CB-CD1 4.24Å; V307-F329 HydrophobicContact CB-CD2 4.26Å; V307-F329 HydrophobicContact CB-CE1 4.15Å; V307-F329 HydrophobicContact CB-CE2 4.13Å; V307-F329 HydrophobicContact CB-CG 4.29Å; V307-F329 HydrophobicContact CB-CZ 4.09Å; V307-F329 HydrophobicContact CG2-CB 4.09Å; V307-F329 HydrophobicContact CG2-CD1 3.95Å; V307-F329 HydrophobicContact CG2-CD2 3.32Å; V307-F329 HydrophobicContact CG2-CE1 4.2Å; V307-F329 HydrophobicContact CG2-CE2 3.59Å; V307-F329 HydrophobicContact CG2-CG 3.51Å; V307-F329 HydrophobicContact CG2-CZ 4.03Å; T316-F329 HydrophobicContact CG2-CZ 4.46Å; T316-F329 VanDerWaalsContact O-CZ 3.28Å; T316-F329 WeakPolarHBondContact O-CZ 3.48Å; T319-F329 WeakPolarHBondContact O-CA 3.48Å; F329-T338 VanDerWaalsContact O-CA 3.32Å; F329-T338 WeakPolarHBondContact O-CA 3.24Å; F329-L339 HydrophobicContact CB-CB 4.25Å; F329-L339 HydrophobicContact CD1-CB 4.48Å; F329-L339 PolarHBondContact N-O 2.87Å; F329-L339 PolarHBondContact O-N 3.2Å
330S95.8Very high91.9Very high6 Ų633.3 Ų33.34%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-128130.1171.2-172.20000109.7G318 T319G318-S330 CarbonylContact C-O 3.46Å; G318-S330 WeakPolarHBondContact CA-O 3.47Å; T319-S330 PolarHBondContact N-O 3.37Å; T319-S330 PolarHBondContact O-N 2.98Å
331S94.8Very high91.9Very high9 Ų933.2 Ų33.26%0.06317%0.169CC..EExtended strand (participates in β ladder)trans-60.9156.2174.552.60000112.3E333 S336 C337S331-E333 VanDerWaalsContact C-N 3.29Å; S331-E333 PolarHBondContact O-N 3.02Å; S331-E333 PolarHBondContact OG-O 2.9Å; S331-S336 WeakPolarHBondContact OG-CB 3.28Å; S331-C337 WeakPolarHBondContact CB-O 3.33Å; S331-C337 PolarHBondContact N-O 3.35Å; S331-C337 PolarHBondContact OG-N 3.25Å; S331-C337 PolarHBondContact OG-O 3.43Å; S331-C337 VanDerWaalsContact OG-O 3.08Å
332R90.9Very high91.7Very high227 Ų22732.3 Ų32.386%0.85717%0.166SC*.SBendtrans-61.7-37.3177.4-174.1176.6-178.61791.1112.8A317A317-R332 PolarHBondContact O-N 2.89Å
333E85.4Confident91.6Very high135 Ų13532.3 Ų32.363%0.63117%0.166SC*.SBendtrans-82.8116.5168.2-175.9172.3-15400108.4S331 G335 S336S331-E333 VanDerWaalsContact C-N 3.29Å; S331-E333 PolarHBondContact O-N 3.02Å; S331-E333 PolarHBondContact OG-O 2.9Å; E333-G335 PolarHBondContact O-N 3.39Å; E333-S336 WeakPolarHBondContact O-CB 3.45Å; E333-S336 PolarHBondContact O-N 3.26Å
334E76.6Confident91.3Very high92 Ų9234.3 Ų34.343%0.4318%0.18SC..THydrogen-bonded Turntrans-62.4131.5-176.8-171.2172.4177.900110.4S336 S772 V773E334-S336 VanDerWaalsContact C-N 3.29Å; E334-S336 PolarHBondContact O-N 3.29Å; E334-S772 VanDerWaalsContact CD-CB 3.48Å; E334-S772 WeakPolarHBondContact OE1-CB 3.34Å; E334-S772 WeakPolarHBondContact OE2-CB 3.1Å; E334-V773 PolarHBondContact OE1-N 3.22Å
335G74.1Confident91.1Very high41 Ų4134.8 Ų34.842%0.42318%0.18SC..THydrogen-bonded Turntrans84.8-12-179.300000115.6E333E333-G335 PolarHBondContact O-N 3.39Å
336S85.6Confident91.2Very high40 Ų4033.1 Ų33.128%0.2817%0.169SC..THydrogen-bonded Turntrans-67.6-50.3-179-1800000112.6S331 E333 E334 T487S331-S336 WeakPolarHBondContact OG-CB 3.28Å; E333-S336 WeakPolarHBondContact O-CB 3.45Å; E333-S336 PolarHBondContact O-N 3.26Å; E334-S336 VanDerWaalsContact C-N 3.29Å; E334-S336 PolarHBondContact O-N 3.29Å; S336-T487 WeakPolarHBondContact O-CA 3.33Å
337C92.2Very high91.1Very high1 Ų137.4 Ų37.41%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-151.9127.7174.7-1710000112S331 R486 T487S331-C337 WeakPolarHBondContact CB-O 3.33Å; S331-C337 PolarHBondContact N-O 3.35Å; S331-C337 PolarHBondContact OG-N 3.25Å; S331-C337 PolarHBondContact OG-O 3.43Å; S331-C337 VanDerWaalsContact OG-O 3.08Å; C337-R486 CarbonylContact C-O 3.57Å; C337-R486 VanDerWaalsContact CA-O 3.31Å; C337-R486 WeakPolarHBondContact CA-O 3.31Å; C337-T487 HydrophobicContact CB-CG2 4.48Å
338T94.6Very high90.9Very high29 Ų2938.5 Ų38.518%0.17820%0.2CC..EExtended strand (participates in β ladder)trans-125.7147.5168.2580000110.9F329 R486F329-T338 VanDerWaalsContact O-CA 3.32Å; F329-T338 WeakPolarHBondContact O-CA 3.24Å; T338-R486 PolarHBondContact N-O 2.96Å; T338-R486 PolarHBondContact O-N 3.2Å; T338-R486 WeakPolarHBondContact OG1-CB 3.18Å
339L94.9Very high90.9Very high3 Ų338.8 Ų38.82%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-139.1132.3-179.417567.2000109.1V307 C328 F329 I341 F372 H483 F485V307-L339 HydrophobicContact CG1-CD2 4.24Å; C328-L339 CarbonylContact C-O 3.1Å; C328-L339 WeakPolarHBondContact CA-O 3.27Å; F329-L339 HydrophobicContact CB-CB 4.25Å; F329-L339 HydrophobicContact CD1-CB 4.48Å; F329-L339 PolarHBondContact N-O 2.87Å; F329-L339 PolarHBondContact O-N 3.2Å; L339-I341 HydrophobicContact CD1-CG1 4.26Å; L339-I341 HydrophobicContact CD2-CD1 4.03Å; L339-I341 HydrophobicContact CD2-CG1 4.28Å; L339-I341 HydrophobicContact CG-CD1 4.32Å; L339-I341 HydrophobicContact CG-CG1 4.01Å; L339-F372 HydrophobicContact CD1-CD1 4.49Å; L339-F372 HydrophobicContact CD1-CE1 3.75Å; L339-F372 HydrophobicContact CD1-CZ 4.04Å; L339-F372 HydrophobicContact CD2-CD1 3.68Å; L339-F372 HydrophobicContact CD2-CE1 3.79Å; L339-F372 HydrophobicContact CD2-CG 4.39Å; L339-F372 HydrophobicContact CG-CE1 4.42Å; L339-H483 WeakPolarHBondContact CD1-O 3.49Å; L339-F485 HydrophobicContact CB-CD1 4.45Å; L339-F485 HydrophobicContact CD1-CD1 4.35Å; L339-F485 HydrophobicContact CD1-CE1 4.39Å; L339-F485 HydrophobicContact CD2-CE1 3.94Å; L339-F485 HydrophobicContact CD2-CZ 4.41Å
340L95.6Very high90.7Very high3 Ų343.8 Ų43.82%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-124.8119.2178.5176.862.3000109.2L293 Y326 C328 V482 H483L293-L340 HydrophobicContact CD2-CD1 3.69Å; L293-L340 HydrophobicContact CD2-CD2 4.22Å; Y326-L340 HydrophobicContact CD1-CD1 3.62Å; Y326-L340 HydrophobicContact CD1-CG 4.2Å; Y326-L340 HydrophobicContact CE1-CD1 4.41Å; Y326-L340 HydrophobicContact CG-CD1 4.07Å; C328-L340 HydrophobicContact CB-CD1 4.44Å; C328-L340 WeakPolarHBondContact SG-CD1 3.49Å; L340-V482 HydrophobicContact CD2-CG1 3.91Å; L340-V482 HydrophobicContact CG-CG1 4.08Å; L340-V482 CarbonylContact O-C 3.52Å; L340-H483 WeakPolarHBondContact O-CA 3.3Å; L340-H483 PolarHBondContact O-N 3.44Å
341I95.1Very high90.6Very high1 Ų149 Ų491%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-117.9108.1-178.7-56.2-172.9000109Y326 L327 L339 L343 V346 M366 F372 H483Y326-I341 WeakPolarHBondContact CA-O 3.42Å; L327-I341 HydrophobicContact CB-CB 4.29Å; L327-I341 HydrophobicContact CD2-CB 4.5Å; L327-I341 HydrophobicContact CD2-CD1 4.09Å; L327-I341 HydrophobicContact CD2-CG1 4.36Å; L327-I341 PolarHBondContact N-O 3.11Å; L327-I341 PolarHBondContact O-N 2.84Å; L339-I341 HydrophobicContact CD1-CG1 4.26Å; L339-I341 HydrophobicContact CD2-CD1 4.03Å; L339-I341 HydrophobicContact CD2-CG1 4.28Å; L339-I341 HydrophobicContact CG-CD1 4.32Å; L339-I341 HydrophobicContact CG-CG1 4.01Å; I341-L343 PolarHBondContact O-N 2.95Å; I341-V346 HydrophobicContact CG2-CG2 3.84Å; I341-M366 HydrophobicContact CG2-CE 3.63Å; I341-M366 HydrophobicContact CG2-SD 3.8Å; I341-F372 HydrophobicContact CD1-CB 4.28Å; I341-F372 HydrophobicContact CD1-CD1 4.35Å; I341-F372 HydrophobicContact CD1-CD2 3.45Å; I341-F372 VanDerWaalsContact CD1-CD2 3.45Å; I341-F372 HydrophobicContact CD1-CE2 3.74Å; I341-F372 HydrophobicContact CD1-CG 3.78Å; I341-F372 HydrophobicContact CD1-CZ 4.3Å; I341-F372 HydrophobicContact CG1-CE2 4.38Å; I341-H483 HydrophobicContact CG1-CB 4.33Å
342P93.3Very high90.2Very high1 Ų150.1 Ų50.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-64.4127.9169-19.132.1000110.6Y326 S344 E345 V482Y326-P342 HydrophobicContact CD1-CB 4.27Å; Y326-P342 HydrophobicContact CD1-CG 4.34Å; Y326-P342 HydrophobicContact CE1-CB 4.12Å; Y326-P342 HydrophobicContact CE1-CG 4.14Å; P342-S344 PolarHBondContact O-N 2.87Å; P342-E345 HydrophobicContact CB-CG 4.34Å; P342-E345 PolarHBondContact O-N 3.19Å; P342-V482 HydrophobicContact CG-CB 4.05Å; P342-V482 HydrophobicContact CG-CG1 3.7Å
343L92.3Very high90Very high0 Ų047.8 Ų47.80%026%0.255CS..G310 helixtrans-65.2-22.3179-66.5-178.2000112.4S325 L327 I341 E345 V346 M387 R390 L391 L394S325-L343 WeakPolarHBondContact O-CB 3.48Å; S325-L343 WeakPolarHBondContact O-CG 3.3Å; S325-L343 PolarHBondContact O-N 2.86Å; L327-L343 HydrophobicContact CB-CD2 4.47Å; I341-L343 PolarHBondContact O-N 2.95Å; L343-E345 PolarHBondContact O-N 3.26Å; L343-V346 HydrophobicContact CD2-CG2 4.01Å; L343-V346 WeakPolarHBondContact O-CB 3.41Å; L343-V346 PolarHBondContact O-N 3Å; L343-M387 HydrophobicContact CD2-CE 3.87Å; L343-R390 HydrophobicContact CD1-CB 4.42Å; L343-L391 WeakPolarHBondContact O-CD1 3.37Å; L343-L394 HydrophobicContact CB-CD1 3.57Å; L343-L394 HydrophobicContact CD1-CD1 4.17Å
344S87.9Confident90Very high43 Ų4344.2 Ų44.230%0.30125%0.245SC..G310 helixtrans-59.8-33.2171.651.90000112.6P342 R367P342-S344 PolarHBondContact O-N 2.87Å; S344-R367 PolarHBondContact O-NE 3.07Å; S344-R367 PolarHBondContact O-NH2 3.06Å
345E88.9Confident90.4Very high50 Ų5042.9 Ų42.923%0.23424%0.244CC..G310 helixtrans-83.7-10.6177.9-63.9-168.4175.200113.6P342 L343 R367 H483P342-E345 HydrophobicContact CB-CG 4.34Å; P342-E345 PolarHBondContact O-N 3.19Å; L343-E345 PolarHBondContact O-N 3.26Å; E345-R367 WeakPolarHBondContact O-CG 3.44Å; E345-R367 PolarHBondContact O-N 2.85Å; E345-H483 IonicContact OE2-CE1 3.66Å; E345-H483 IonicContact OE2-CG 2.92Å; E345-H483 IonicContact OE2-ND1 2.7Å; E345-H483 PolarHBondContact OE2-ND1 3.26Å
346V93Very high90.6Very high0 Ų047.2 Ų47.20%027%0.267CS..EExtended strand (participates in β ladder)trans-77.1132.6179.9-1780000111I341 L343 I349 V364 M366 L391I341-V346 HydrophobicContact CG2-CG2 3.84Å; L343-V346 HydrophobicContact CD2-CG2 4.01Å; L343-V346 WeakPolarHBondContact O-CB 3.41Å; L343-V346 PolarHBondContact O-N 3Å; V346-I349 HydrophobicContact CG1-CD1 4.14Å; V346-I349 HydrophobicContact CG1-CG1 3.68Å; V346-V364 HydrophobicContact CG1-CG1 4.02Å; V346-V364 HydrophobicContact CG2-CG1 4.01Å; V346-M366 HydrophobicContact CB-CE 3.99Å; V346-M366 HydrophobicContact CG1-CE 4.3Å; V346-M366 HydrophobicContact CG2-CE 3.42Å; V346-M366 VanDerWaalsContact CG2-CE 3.42Å; V346-L391 HydrophobicContact CB-CD1 3.93Å; V346-L391 HydrophobicContact CB-CD2 4.43Å; V346-L391 HydrophobicContact CG1-CD1 4.27Å; V346-L391 HydrophobicContact CG1-CD2 3.87Å
347L91.8Very high90.3Very high101 Ų10149.5 Ų49.553%0.52928%0.283SS..EExtended strand (participates in β ladder)trans-91.2-53.1174-178.866.3000111S365 R367L347-S365 WeakPolarHBondContact CB-O 3.17Å; L347-S365 PolarHBondContact N-O 2.92Å; L347-R367 HydrophobicContact CB-CG 4.5Å
348S93.6Very high89.9Confident26 Ų2651.7 Ų51.718%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-148.3153.3179.166.50000111.8E350 S365S348-E350 WeakPolarHBondContact CB-OE1 3.45Å; S348-E350 PolarHBondContact OG-OE1 3.49Å; S348-S365 PolarHBondContact N-O 2.99Å; S348-S365 PolarHBondContact O-N 3.03Å; S348-S365 WeakPolarHBondContact OG-CB 3.39Å
349I95.6Very high89.6Confident6 Ų652.3 Ų52.33%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-125.8113.2172.9-57.2173.7000107.1V346 V362 I363 V364 V384 M387 N388 L391V346-I349 HydrophobicContact CG1-CD1 4.14Å; V346-I349 HydrophobicContact CG1-CG1 3.68Å; I349-V362 HydrophobicContact CG2-CG1 3.85Å; I349-I363 WeakPolarHBondContact CA-O 3.28Å; I349-V364 HydrophobicContact CG1-CG1 4.37Å; I349-V364 HydrophobicContact CG2-CG2 4.47Å; I349-V384 HydrophobicContact CG2-CG1 4.4Å; I349-V384 HydrophobicContact CG2-CG2 4.37Å; I349-M387 HydrophobicContact CD1-CB 3.73Å; I349-M387 HydrophobicContact CD1-CE 3.51Å; I349-M387 HydrophobicContact CD1-SD 4.14Å; I349-N388 PolarHBondContact O-ND2 3.18Å; I349-L391 HydrophobicContact CD1-CD2 4.48Å; I349-L391 HydrophobicContact CG1-CD2 4.43Å
350E93.4Very high89.3Confident105 Ų10554.8 Ų54.849%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-123.5142.7-169.4-68.8169-14900110.7S348 V362 I363S348-E350 WeakPolarHBondContact CB-OE1 3.45Å; S348-E350 PolarHBondContact OG-OE1 3.49Å; E350-V362 WeakPolarHBondContact O-CA 3.27Å; E350-I363 PolarHBondContact N-O 3.49Å; E350-I363 PolarHBondContact O-N 3.46Å
351K92.4Very high89.1Confident115 Ų11554.7 Ų54.750%0.531%0.312SS..EExtended strand (participates in β ladder)trans-90.2138.316962.5-174.6-176.8-175.20109.7D381K351-D381 WeakPolarHBondContact CD-OD1 3.47Å; K351-D381 VanDerWaalsContact NZ-CG 3.31Å; K351-D381 IonicContact NZ-OD1 3.46Å; K351-D381 IonicContact NZ-OD2 2.66Å; K351-D381 PolarHBondContact NZ-OD2 2.97Å
352A87.8Confident89.1Confident34 Ų3454.8 Ų54.828%0.28131%0.313SS..  trans-108.5164.9173.400000111.1S354 P361 I363 R380A352-S354 PolarHBondContact O-N 3.12Å; A352-P361 HydrophobicContact CB-CB 4.23Å; A352-P361 HydrophobicContact CB-CG 3.73Å; A352-P361 PolarHBondContact N-O 3.36Å; A352-P361 VanDerWaalsContact N-O 3.08Å; A352-I363 HydrophobicContact CB-CD1 4.15Å; A352-R380 PolarHBondContact O-NH1 3.15Å; A352-R380 VanDerWaalsContact O-NH1 3.12Å
353E86Confident89.2Confident177 Ų17757 Ų5783%0.82732%0.324SS*.  trans-62.7129.2179.3-69.1-174.7171.600111.1T355 P361E353-T355 PolarHBondContact O-N 3.47Å; E353-P361 WeakPolarHBondContact O-CG 3.36Å
354S85.6Confident89.3Confident60 Ų6057.1 Ų57.142%0.4233%0.325SS..  trans-72.2127.4178-59.20000110A352 N360 R380A352-S354 PolarHBondContact O-N 3.12Å; S354-N360 WeakPolarHBondContact OG-CA 3.35Å; S354-N360 PolarHBondContact OG-N 3.01Å; S354-N360 PolarHBondContact OG-OD1 3.25Å; S354-R380 PolarHBondContact OG-NH1 2.84Å; S354-R380 VanDerWaalsContact OG-NH1 3.11Å
355T85.3Confident89.7Confident64 Ų6456.3 Ų56.339%0.39332%0.319SS..  trans-124.9167.3174.162.20000109.9E353 S357 L358E353-T355 PolarHBondContact O-N 3.47Å; T355-S357 PolarHBondContact O-N 2.71Å; T355-S357 PolarHBondContact OG1-OG 3.39Å; T355-L358 PolarHBondContact N-O 3.34Å; T355-L358 CarbonylContact O-C 3.57Å; T355-L358 PolarHBondContact O-N 3.13Å; T355-L358 VanDerWaalsContact O-N 3.15Å; T355-L358 VanDerWaalsContact O-O 3.07Å; T355-L358 WeakPolarHBondContact OG1-CB 3.47Å; T355-L358 PolarHBondContact OG1-N 3.06Å; T355-L358 VanDerWaalsContact OG1-N 3.08Å
356S77Confident89.8Confident132 Ų13254 Ų5492%0.92331%0.309SS*.SBendtrans-60.9-27.1176.757.20000113.4
357S78.9Confident89.5Confident88 Ų8861 Ų6162%0.61534%0.335SS*.SBendtrans-90.7-20.2176.547.40000114T355T355-S357 PolarHBondContact O-N 2.71Å; T355-S357 PolarHBondContact OG1-OG 3.39Å
358L84.2Confident88.9Confident48 Ų4860 Ų6025%0.25133%0.333SS..SBendtrans-132.880.3178.4-64.1171.1000108T355 N360 P361 I375T355-L358 PolarHBondContact N-O 3.34Å; T355-L358 CarbonylContact O-C 3.57Å; T355-L358 PolarHBondContact O-N 3.13Å; T355-L358 VanDerWaalsContact O-N 3.15Å; T355-L358 VanDerWaalsContact O-O 3.07Å; T355-L358 WeakPolarHBondContact OG1-CB 3.47Å; T355-L358 PolarHBondContact OG1-N 3.06Å; T355-L358 VanDerWaalsContact OG1-N 3.08Å; L358-N360 PolarHBondContact O-N 3.49Å; L358-P361 HydrophobicContact CB-CB 4.38Å; L358-P361 HydrophobicContact CB-CG 4.3Å; L358-P361 WeakPolarHBondContact O-CD 3.32Å; L358-I375 HydrophobicContact CD2-CG2 3.97Å
359P87.9Confident88.4Confident42 Ų4268.4 Ų68.427%0.27337%0.366SS..SBendtrans-71124.6177.228.4-34.5000110.3I375 D376P359-I375 HydrophobicContact CG-CB 4.43Å; P359-I375 HydrophobicContact CG-CD1 4.41Å; P359-I375 WeakPolarHBondContact O-CA 3.11Å; P359-I375 WeakPolarHBondContact O-CB 3.26Å; P359-D376 WeakPolarHBondContact CG-OD1 3.43Å; P359-D376 PolarHBondContact O-N 3.33Å
360N88.7Confident87.9Confident54 Ų5472.5 Ų72.529%0.28938%0.384SS..SBendtrans46.258.3175.9-61.8-17.1000115.3S354 L358 L377 R380S354-N360 WeakPolarHBondContact OG-CA 3.35Å; S354-N360 PolarHBondContact OG-N 3.01Å; S354-N360 PolarHBondContact OG-OD1 3.25Å; L358-N360 PolarHBondContact O-N 3.49Å; N360-L377 WeakPolarHBondContact CB-O 3.39Å; N360-L377 PolarHBondContact ND2-O 3.44Å; N360-R380 HydrophobicContact CB-CB 4.25Å
361P92.8Very high87.8Confident1 Ų170.6 Ų70.61%0.00639%0.386CS..  trans-75.7139.5-172.429.3-32.2000112.8A352 E353 L358 L374 I375A352-P361 HydrophobicContact CB-CB 4.23Å; A352-P361 HydrophobicContact CB-CG 3.73Å; A352-P361 PolarHBondContact N-O 3.36Å; A352-P361 VanDerWaalsContact N-O 3.08Å; E353-P361 WeakPolarHBondContact O-CG 3.36Å; L358-P361 HydrophobicContact CB-CB 4.38Å; L358-P361 HydrophobicContact CB-CG 4.3Å; L358-P361 WeakPolarHBondContact O-CD 3.32Å; P361-L374 CarbonylContact C-O 3.58Å; P361-L374 VanDerWaalsContact CA-O 3.24Å; P361-L374 WeakPolarHBondContact CA-O 3.2Å; P361-I375 HydrophobicContact CB-CG2 4.2Å
362V94.7Very high87.9Confident3 Ų365.7 Ų65.72%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-121.3132.9170.31780000109.2I349 E350 V364 Q373 L374 L377 R380 V384I349-V362 HydrophobicContact CG2-CG1 3.85Å; E350-V362 WeakPolarHBondContact O-CA 3.27Å; V362-V364 HydrophobicContact CG1-CG2 4.35Å; V362-Q373 WeakPolarHBondContact O-CA 3.47Å; V362-L374 HydrophobicContact CB-CB 4.48Å; V362-L374 PolarHBondContact N-O 3.12Å; V362-L374 PolarHBondContact O-N 3.11Å; V362-L377 HydrophobicContact CB-CD1 3.98Å; V362-L377 HydrophobicContact CG2-CD1 3.52Å; V362-R380 HydrophobicContact CG2-CG 3.46Å; V362-R380 VanDerWaalsContact CG2-CG 3.46Å; V362-V384 HydrophobicContact CG1-CG2 4.01Å; V362-V384 HydrophobicContact CG2-CG2 3.71Å
363I95.1Very high88.2Confident49 Ų4966.5 Ų66.525%0.25136%0.362SS..EExtended strand (participates in β ladder)trans-112.8123177.8-57.6176.2000108.5I349 E350 A352 A371 F372I349-I363 WeakPolarHBondContact CA-O 3.28Å; E350-I363 PolarHBondContact N-O 3.49Å; E350-I363 PolarHBondContact O-N 3.46Å; A352-I363 HydrophobicContact CB-CD1 4.15Å; I363-A371 HydrophobicContact CG2-CB 4.08Å; I363-F372 CarbonylContact C-O 3.53Å; I363-F372 WeakPolarHBondContact CA-O 3.34Å
364V95.8Very high88.7Confident1 Ų158.2 Ų58.21%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-107.5107.5176.9-176.50000108.3L327 V346 I349 V362 M366 A371 F372 L374L327-V364 HydrophobicContact CD1-CG2 4.17Å; V346-V364 HydrophobicContact CG1-CG1 4.02Å; V346-V364 HydrophobicContact CG2-CG1 4.01Å; I349-V364 HydrophobicContact CG1-CG1 4.37Å; I349-V364 HydrophobicContact CG2-CG2 4.47Å; V362-V364 HydrophobicContact CG1-CG2 4.35Å; V364-M366 HydrophobicContact CG1-CE 3.63Å; V364-A371 CarbonylContact O-C 3.49Å; V364-A371 VanDerWaalsContact O-CA 3.26Å; V364-A371 WeakPolarHBondContact O-CA 3.13Å; V364-F372 HydrophobicContact CB-CB 4.38Å; V364-F372 PolarHBondContact N-O 2.87Å; V364-F372 PolarHBondContact O-N 2.88Å; V364-L374 HydrophobicContact CG2-CD1 3.77Å
365S94.8Very high89.1Confident26 Ų2655.9 Ų55.918%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-92.3129.9-178.2-640000110.9L347 S348L347-S365 WeakPolarHBondContact CB-O 3.17Å; L347-S365 PolarHBondContact N-O 2.92Å; S348-S365 PolarHBondContact N-O 2.99Å; S348-S365 PolarHBondContact O-N 3.03Å; S348-S365 WeakPolarHBondContact OG-CB 3.39Å
366M91Very high89.5Confident3 Ų356 Ų562%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-94.2153.7-178.8-55-75.979.600111.5I341 V346 V364 T368 K369 K370 F372I341-M366 HydrophobicContact CG2-CE 3.63Å; I341-M366 HydrophobicContact CG2-SD 3.8Å; V346-M366 HydrophobicContact CB-CE 3.99Å; V346-M366 HydrophobicContact CG1-CE 4.3Å; V346-M366 HydrophobicContact CG2-CE 3.42Å; V346-M366 VanDerWaalsContact CG2-CE 3.42Å; V364-M366 HydrophobicContact CG1-CE 3.63Å; M366-T368 WeakPolarHBondContact CB-OG1 3.46Å; M366-T368 PolarHBondContact O-N 2.93Å; M366-K369 PolarHBondContact O-N 2.96Å; M366-K369 VanDerWaalsContact O-N 3.09Å; M366-K370 HydrophobicContact CB-CB 4.35Å; M366-K370 WeakPolarHBondContact CB-O 3.31Å; M366-K370 HydrophobicContact CG-CB 4.21Å; M366-K370 PolarHBondContact N-O 2.82Å; M366-F372 HydrophobicContact CG-CD2 4.02Å; M366-F372 HydrophobicContact CG-CE2 3.67Å; M366-F372 HydrophobicContact SD-CD2 4.09Å; M366-F372 HydrophobicContact SD-CE2 3.68Å
367R86.3Confident90.2Very high147 Ų14749.9 Ų49.956%0.55526%0.262SS*.THydrogen-bonded Turntrans-58.9-25.1169.7-69.6174.9-169.1-93.7-0.4113S344 E345 L347 K369S344-R367 PolarHBondContact O-NE 3.07Å; S344-R367 PolarHBondContact O-NH2 3.06Å; E345-R367 WeakPolarHBondContact O-CG 3.44Å; E345-R367 PolarHBondContact O-N 2.85Å; L347-R367 HydrophobicContact CB-CG 4.5Å; R367-K369 PolarHBondContact O-N 2.62Å
368T81.1Confident90.5Very high79 Ų7953.3 Ų53.349%0.48527%0.268SS..THydrogen-bonded Turntrans-77.510.1176.757.40000114M366 K370M366-T368 WeakPolarHBondContact CB-OG1 3.46Å; M366-T368 PolarHBondContact O-N 2.93Å; T368-K370 PolarHBondContact O-N 2.76Å
369K81.6Confident90.7Very high203 Ų20356.6 Ų56.688%0.88329%0.286SS*.SBendtrans63.216.4-176.1-52.3-179.8179.1178.20114.5M366 R367M366-K369 PolarHBondContact O-N 2.96Å; M366-K369 VanDerWaalsContact O-N 3.09Å; R367-K369 PolarHBondContact O-N 2.62Å
370K85.4Confident90.9Very high92 Ų9256.4 Ų56.440%0.428%0.28SS..  trans-90.8158.6167.4-67.7-174178.6178.40110.4M366 T368M366-K370 HydrophobicContact CB-CB 4.35Å; M366-K370 WeakPolarHBondContact CB-O 3.31Å; M366-K370 HydrophobicContact CG-CB 4.21Å; M366-K370 PolarHBondContact N-O 2.82Å; T368-K370 PolarHBondContact O-N 2.76Å
371A91.4Very high91.1Very high64 Ų6457 Ų5753%0.52928%0.283SS..EExtended strand (participates in β ladder)trans-138.9145173.400000111.1I363 V364I363-A371 HydrophobicContact CG2-CB 4.08Å; V364-A371 CarbonylContact O-C 3.49Å; V364-A371 VanDerWaalsContact O-CA 3.26Å; V364-A371 WeakPolarHBondContact O-CA 3.13Å
372F94.4Very high91Very high13 Ų1362.3 Ų62.36%0.05731%0.311CS..EExtended strand (participates in β ladder)trans-111.3137.1175.2-63.1-87.6000109.8L339 I341 I363 V364 M366 H483 F485L339-F372 HydrophobicContact CD1-CD1 4.49Å; L339-F372 HydrophobicContact CD1-CE1 3.75Å; L339-F372 HydrophobicContact CD1-CZ 4.04Å; L339-F372 HydrophobicContact CD2-CD1 3.68Å; L339-F372 HydrophobicContact CD2-CE1 3.79Å; L339-F372 HydrophobicContact CD2-CG 4.39Å; L339-F372 HydrophobicContact CG-CE1 4.42Å; I341-F372 HydrophobicContact CD1-CB 4.28Å; I341-F372 HydrophobicContact CD1-CD1 4.35Å; I341-F372 HydrophobicContact CD1-CD2 3.45Å; I341-F372 VanDerWaalsContact CD1-CD2 3.45Å; I341-F372 HydrophobicContact CD1-CE2 3.74Å; I341-F372 HydrophobicContact CD1-CG 3.78Å; I341-F372 HydrophobicContact CD1-CZ 4.3Å; I341-F372 HydrophobicContact CG1-CE2 4.38Å; I363-F372 CarbonylContact C-O 3.53Å; I363-F372 WeakPolarHBondContact CA-O 3.34Å; V364-F372 HydrophobicContact CB-CB 4.38Å; V364-F372 PolarHBondContact N-O 2.87Å; V364-F372 PolarHBondContact O-N 2.88Å; M366-F372 HydrophobicContact CG-CD2 4.02Å; M366-F372 HydrophobicContact CG-CE2 3.67Å; M366-F372 HydrophobicContact SD-CD2 4.09Å; M366-F372 HydrophobicContact SD-CE2 3.68Å; F372-H483 HydrophobicContact CE2-CB 4.2Å; F372-H483 HydrophobicContact CZ-CB 3.98Å; F372-H483 AromaticContact CZ-CD2 3.85Å; F372-H483 WeakPolarHBondContact CZ-O 3.45Å; F372-F485 HydrophobicContact CD1-CE2 4.34Å; F372-F485 AromaticContact CD1-CZ 3.84Å; F372-F485 HydrophobicContact CD1-CZ 3.84Å; F372-F485 HydrophobicContact CE1-CE1 4.42Å; F372-F485 AromaticContact CE1-CE2 3.78Å; F372-F485 HydrophobicContact CE1-CE2 3.78Å; F372-F485 AromaticContact CE1-CZ 3.66Å; F372-F485 HydrophobicContact CE1-CZ 3.66Å
373Q94.4Very high90.9Very high50 Ų5062.4 Ų62.423%0.23431%0.312CS..EExtended strand (participates in β ladder)trans-112.7124.7178.6-175.5-17774.700109.9W308 H315 V362W308-Q373 HydrophobicContact CB-CB 4.09Å; W308-Q373 PolarHBondContact N-O 2.95Å; H315-Q373 PolarHBondContact NE2-OE1 3.14Å; V362-Q373 WeakPolarHBondContact O-CA 3.47Å
374L95.4Very high90.8Very high4 Ų460.7 Ų60.72%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-113.3144.1173.8-57.394.5000109.5S306 V307 L320 P361 V362 V364 L377S306-L374 CarbonylContact O-C 3.47Å; S306-L374 WeakPolarHBondContact O-CA 3.23Å; V307-L374 HydrophobicContact CG2-CD2 3.91Å; V307-L374 HydrophobicContact CG2-CG 4.01Å; L320-L374 HydrophobicContact CD1-CD2 3.68Å; L320-L374 HydrophobicContact CD2-CD2 4.38Å; P361-L374 CarbonylContact C-O 3.58Å; P361-L374 VanDerWaalsContact CA-O 3.24Å; P361-L374 WeakPolarHBondContact CA-O 3.2Å; V362-L374 HydrophobicContact CB-CB 4.48Å; V362-L374 PolarHBondContact N-O 3.12Å; V362-L374 PolarHBondContact O-N 3.11Å; V364-L374 HydrophobicContact CG2-CD1 3.77Å; L374-L377 HydrophobicContact CB-CD1 4.01Å
375I95.3Very high90.7Very high10 Ų1067 Ų675%0.05133%0.333CS..EExtended strand (participates in β ladder)trans-133.3176175.464.3167.3000110.5C305 S306 H315 L358 P359 P361 L377C305-I375 WeakPolarHBondContact CA-O 3.29Å; C305-I375 WeakPolarHBondContact CB-O 3.49Å; S306-I375 PolarHBondContact N-O 3.27Å; S306-I375 PolarHBondContact O-N 3.4Å; H315-I375 HydrophobicContact CB-CD1 3.88Å; H315-I375 HydrophobicContact CB-CG1 4.35Å; L358-I375 HydrophobicContact CD2-CG2 3.97Å; P359-I375 HydrophobicContact CG-CB 4.43Å; P359-I375 HydrophobicContact CG-CD1 4.41Å; P359-I375 WeakPolarHBondContact O-CA 3.11Å; P359-I375 WeakPolarHBondContact O-CB 3.26Å; P361-I375 HydrophobicContact CB-CG2 4.2Å; I375-L377 VanDerWaalsContact C-N 3.29Å; I375-L377 PolarHBondContact O-N 3.02Å
376D92.9Very high90.6Very high68 Ų6867.5 Ų67.536%0.36434%0.336SS..  trans66.322.8177.8-58.2-51.4000115S306 P359S306-D376 PolarHBondContact OG-OD2 3.17Å; P359-D376 WeakPolarHBondContact CG-OD1 3.43Å; P359-D376 PolarHBondContact O-N 3.33Å
377L91.3Very high90.7Very high2 Ų267.4 Ų67.41%0.0134%0.336CS..  trans-83.2115.7177.9-66.2163.9000110.1A303 C305 L320 N360 V362 L374 I375 R380 L383A303-L377 HydrophobicContact CB-CD2 4.32Å; C305-L377 HydrophobicContact CB-CD2 3.61Å; C305-L377 HydrophobicContact CB-CG 4.14Å; L320-L377 HydrophobicContact CD2-CD2 3.8Å; N360-L377 WeakPolarHBondContact CB-O 3.39Å; N360-L377 PolarHBondContact ND2-O 3.44Å; V362-L377 HydrophobicContact CB-CD1 3.98Å; V362-L377 HydrophobicContact CG2-CD1 3.52Å; L374-L377 HydrophobicContact CB-CD1 4.01Å; I375-L377 VanDerWaalsContact C-N 3.29Å; I375-L377 PolarHBondContact O-N 3.02Å; L377-R380 HydrophobicContact CB-CB 4.29Å; L377-L383 HydrophobicContact CD1-CD2 3.84Å; L377-L383 HydrophobicContact CD2-CD2 3.84Å; L377-L383 HydrophobicContact CG-CD2 4.29Å
378Q87Confident91.1Very high161 Ų16161.9 Ų61.975%0.75232%0.317SS*.THydrogen-bonded Turntrans-67-54.9-177.4-67-161.29.700112R380Q378-R380 VanDerWaalsContact C-N 3.3Å; Q378-R380 PolarHBondContact O-N 3.42Å
379D88.4Confident91.6Very high117 Ų11761.4 Ų61.463%0.62632%0.317SS*.THydrogen-bonded Turntrans-95.847.1-179-57-47.9000111.8D381 D382 L383D379-D381 VanDerWaalsContact C-N 3.3Å; D379-D381 PolarHBondContact O-N 3.32Å; D379-D382 PolarHBondContact O-N 2.78Å; D379-L383 WeakPolarHBondContact O-CB 3.28Å; D379-L383 PolarHBondContact O-N 3.2Å; D379-L383 VanDerWaalsContact O-N 3.08Å
380R91.8Very high92.1Very high37 Ų3753 Ų5314%0.1428%0.28CS..Hα-helixtrans-50.7-46.2-171.8-174.6-16263.4-157.9-13113.4A352 S354 N360 V362 L377 Q378 V384A352-R380 PolarHBondContact O-NH1 3.15Å; A352-R380 VanDerWaalsContact O-NH1 3.12Å; S354-R380 PolarHBondContact OG-NH1 2.84Å; S354-R380 VanDerWaalsContact OG-NH1 3.11Å; N360-R380 HydrophobicContact CB-CB 4.25Å; V362-R380 HydrophobicContact CG2-CG 3.46Å; V362-R380 VanDerWaalsContact CG2-CG 3.46Å; L377-R380 HydrophobicContact CB-CB 4.29Å; Q378-R380 VanDerWaalsContact C-N 3.3Å; Q378-R380 PolarHBondContact O-N 3.42Å; R380-V384 HydrophobicContact CG-CG2 4.39Å; R380-V384 WeakPolarHBondContact O-CB 3.35Å; R380-V384 VanDerWaalsContact O-CG2 3.22Å; R380-V384 WeakPolarHBondContact O-CG2 3.29Å; R380-V384 PolarHBondContact O-N 2.97Å
381D91.3Very high92.4Very high68 Ų6848.9 Ų48.936%0.36426%0.262SS..Hα-helixtrans-70.9-42-170.3-77.714.6000111.4K351 D379 V384 E385K351-D381 WeakPolarHBondContact CD-OD1 3.47Å; K351-D381 VanDerWaalsContact NZ-CG 3.31Å; K351-D381 IonicContact NZ-OD1 3.46Å; K351-D381 IonicContact NZ-OD2 2.66Å; K351-D381 PolarHBondContact NZ-OD2 2.97Å; D379-D381 VanDerWaalsContact C-N 3.3Å; D379-D381 PolarHBondContact O-N 3.32Å; D381-V384 PolarHBondContact O-N 3.01Å; D381-E385 PolarHBondContact O-N 2.82Å
382D92.5Very high92.4Very high111 Ų11153.2 Ų53.259%0.59427%0.265SS*.Hα-helixtrans-65.6-44.4176.1-65.8-24.9000111D379 V384 E385 S386D379-D382 PolarHBondContact O-N 2.78Å; D382-V384 PolarHBondContact O-N 3.46Å; D382-E385 PolarHBondContact O-N 2.8Å; D382-S386 WeakPolarHBondContact O-CB 3.39Å; D382-S386 PolarHBondContact O-N 2.92Å
383L91.2Very high92Very high5 Ų555 Ų553%0.02628%0.282CS..Hα-helixtrans-56.1-49.417416664.5000111.3E301 L320 T322 L377 D379 E385 S386 M387E301-L383 VanDerWaalsContact OE2-CB 3.25Å; E301-L383 WeakPolarHBondContact OE2-CB 3.38Å; E301-L383 WeakPolarHBondContact OE2-CD1 3.46Å; L320-L383 HydrophobicContact CD2-CD1 4.25Å; L320-L383 HydrophobicContact CD2-CD2 3.73Å; T322-L383 HydrophobicContact CG2-CD1 3.92Å; L377-L383 HydrophobicContact CD1-CD2 3.84Å; L377-L383 HydrophobicContact CD2-CD2 3.84Å; L377-L383 HydrophobicContact CG-CD2 4.29Å; D379-L383 WeakPolarHBondContact O-CB 3.28Å; D379-L383 PolarHBondContact O-N 3.2Å; D379-L383 VanDerWaalsContact O-N 3.08Å; L383-E385 VanDerWaalsContact C-N 3.34Å; L383-E385 PolarHBondContact O-N 3.18Å; L383-S386 WeakPolarHBondContact O-CB 3.43Å; L383-S386 PolarHBondContact O-N 3.43Å; L383-M387 HydrophobicContact CD1-CG 3.74Å; L383-M387 HydrophobicContact CD1-SD 3.68Å; L383-M387 HydrophobicContact CG-CG 4.48Å; L383-M387 HydrophobicContact CG-SD 4.26Å; L383-M387 WeakPolarHBondContact O-CB 3.34Å; L383-M387 VanDerWaalsContact O-CG 3.24Å; L383-M387 WeakPolarHBondContact O-CG 3.35Å; L383-M387 PolarHBondContact O-N 3.12Å
384V93.4Very high91.5Very high13 Ų1354.1 Ų54.18%0.07928%0.279CS..Hα-helixtrans-64.7-38.6-178.6168.80000111.4I349 V362 R380 D381 D382 N388I349-V384 HydrophobicContact CG2-CG1 4.4Å; I349-V384 HydrophobicContact CG2-CG2 4.37Å; V362-V384 HydrophobicContact CG1-CG2 4.01Å; V362-V384 HydrophobicContact CG2-CG2 3.71Å; R380-V384 HydrophobicContact CG-CG2 4.39Å; R380-V384 WeakPolarHBondContact O-CB 3.35Å; R380-V384 VanDerWaalsContact O-CG2 3.22Å; R380-V384 WeakPolarHBondContact O-CG2 3.29Å; R380-V384 PolarHBondContact O-N 2.97Å; D381-V384 PolarHBondContact O-N 3.01Å; D382-V384 PolarHBondContact O-N 3.46Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.36Å; V384-N388 VanDerWaalsContact O-CB 3.26Å; V384-N388 WeakPolarHBondContact O-CB 3.24Å; V384-N388 PolarHBondContact O-N 3.08Å; V384-N388 PolarHBondContact O-ND2 2.56Å
385E93.6Very high90.9Very high135 Ų13557.3 Ų57.363%0.63129%0.293SS*.Hα-helixtrans-67.5-47.7175.8-176.4166.5-16400111.6D381 D382 L383 M387 N388 S389D381-E385 PolarHBondContact O-N 2.82Å; D382-E385 PolarHBondContact O-N 2.8Å; L383-E385 VanDerWaalsContact C-N 3.34Å; L383-E385 PolarHBondContact O-N 3.18Å; E385-M387 PolarHBondContact O-N 3.17Å; E385-N388 PolarHBondContact O-N 3.36Å; E385-S389 WeakPolarHBondContact O-CB 3.37Å; E385-S389 PolarHBondContact O-N 3.03Å
386S93.1Very high90.1Very high35 Ų3565.5 Ų65.525%0.24532%0.324CS..Hα-helixtrans-53-50.6174.8167.60000111.4E301 D382 L383 S389 R390E301-S386 WeakPolarHBondContact OE1-CB 3.3Å; E301-S386 PolarHBondContact OE1-OG 3.01Å; D382-S386 WeakPolarHBondContact O-CB 3.39Å; D382-S386 PolarHBondContact O-N 2.92Å; L383-S386 WeakPolarHBondContact O-CB 3.43Å; L383-S386 PolarHBondContact O-N 3.43Å; S386-S389 PolarHBondContact O-N 3.08Å; S386-R390 PolarHBondContact O-N 3.12Å; S386-R390 PolarHBondContact OG-NH1 3.48Å
387M92.7Very high89.3Confident2 Ų268.4 Ų68.41%0.0133%0.333CS..Hα-helixtrans-65.3-45.1176.9-73-16878.800113.3T322 L327 L343 I349 L383 E385 S389 R390 L391T322-M387 HydrophobicContact CG2-SD 4.25Å; L327-M387 HydrophobicContact CB-CE 3.94Å; L327-M387 HydrophobicContact CD1-CE 3.36Å; L327-M387 HydrophobicContact CD1-SD 3.99Å; L327-M387 HydrophobicContact CG-CE 4.15Å; L343-M387 HydrophobicContact CD2-CE 3.87Å; I349-M387 HydrophobicContact CD1-CB 3.73Å; I349-M387 HydrophobicContact CD1-CE 3.51Å; I349-M387 HydrophobicContact CD1-SD 4.14Å; L383-M387 HydrophobicContact CD1-CG 3.74Å; L383-M387 HydrophobicContact CD1-SD 3.68Å; L383-M387 HydrophobicContact CG-CG 4.48Å; L383-M387 HydrophobicContact CG-SD 4.26Å; L383-M387 WeakPolarHBondContact O-CB 3.34Å; L383-M387 VanDerWaalsContact O-CG 3.24Å; L383-M387 WeakPolarHBondContact O-CG 3.35Å; L383-M387 PolarHBondContact O-N 3.12Å; E385-M387 PolarHBondContact O-N 3.17Å; M387-S389 VanDerWaalsContact C-N 3.28Å; M387-S389 PolarHBondContact O-N 3.47Å; M387-R390 PolarHBondContact O-N 3.11Å; M387-L391 WeakPolarHBondContact O-CB 3.41Å; M387-L391 PolarHBondContact O-N 3.43Å
388N94.1Very high88.3Confident31 Ų3172 Ų7217%0.16635%0.35CS..Hα-helixtrans-63.9-34.4179.1-86.4-57.3000112I349 V384 E385 L391 R392I349-N388 PolarHBondContact O-ND2 3.18Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.36Å; V384-N388 VanDerWaalsContact O-CB 3.26Å; V384-N388 WeakPolarHBondContact O-CB 3.24Å; V384-N388 PolarHBondContact O-N 3.08Å; V384-N388 PolarHBondContact O-ND2 2.56Å; E385-N388 PolarHBondContact O-N 3.36Å; N388-L391 PolarHBondContact O-N 2.9Å; N388-R392 VanDerWaalsContact O-CG 3.3Å; N388-R392 WeakPolarHBondContact O-CG 3.34Å; N388-R392 PolarHBondContact O-N 3.1Å
389S92.8Very high87.4Confident69 Ų6967.1 Ų67.148%0.48333%0.333SS..Hα-helixtrans-60.7-48.1173-172.70000111.8E385 S386 M387 R392 A393E385-S389 WeakPolarHBondContact O-CB 3.37Å; E385-S389 PolarHBondContact O-N 3.03Å; S386-S389 PolarHBondContact O-N 3.08Å; M387-S389 VanDerWaalsContact C-N 3.28Å; M387-S389 PolarHBondContact O-N 3.47Å; S389-R392 PolarHBondContact O-N 3.01Å; S389-A393 PolarHBondContact O-N 2.84Å
390R92Very high86.2Confident27 Ų2765 Ų6510%0.10232%0.324CS..Hα-helixtrans-63.8-42.4176.2-67.3-163-65.5-78.7-0.4112.4T322 T323 L343 S386 M387 R392 A393 L394T322-R390 PolarHBondContact OG1-NH2 3.13Å; T323-R390 PolarHBondContact O-NE 3.17Å; L343-R390 HydrophobicContact CD1-CB 4.42Å; S386-R390 PolarHBondContact O-N 3.12Å; S386-R390 PolarHBondContact OG-NH1 3.48Å; M387-R390 PolarHBondContact O-N 3.11Å; R390-R392 PolarHBondContact O-N 2.89Å; R390-A393 WeakPolarHBondContact O-CB 3.48Å; R390-A393 PolarHBondContact O-N 3.44Å; R390-A393 VanDerWaalsContact O-N 3.16Å; R390-L394 WeakPolarHBondContact O-CG 3.49Å; R390-L394 PolarHBondContact O-N 2.96Å
391L91.6Very high84.7Confident4 Ų471.1 Ų71.12%0.02135%0.352CS..Hα-helixtrans-57.4-46.8175.8-178.560.9000111.6L343 V346 I349 M387 N388 A393 L394 Q395L343-L391 WeakPolarHBondContact O-CD1 3.37Å; V346-L391 HydrophobicContact CB-CD1 3.93Å; V346-L391 HydrophobicContact CB-CD2 4.43Å; V346-L391 HydrophobicContact CG1-CD1 4.27Å; V346-L391 HydrophobicContact CG1-CD2 3.87Å; I349-L391 HydrophobicContact CD1-CD2 4.48Å; I349-L391 HydrophobicContact CG1-CD2 4.43Å; M387-L391 WeakPolarHBondContact O-CB 3.41Å; M387-L391 PolarHBondContact O-N 3.43Å; N388-L391 PolarHBondContact O-N 2.9Å; L391-A393 PolarHBondContact O-N 3.31Å; L391-L394 PolarHBondContact O-N 2.81Å; L391-Q395 HydrophobicContact CD1-CG 4.44Å; L391-Q395 WeakPolarHBondContact O-CB 3.21Å; L391-Q395 VanDerWaalsContact O-CG 3.27Å; L391-Q395 WeakPolarHBondContact O-CG 3.44Å; L391-Q395 PolarHBondContact O-N 3.12Å
392R90.8Very high82.9Confident156 Ų15676.3 Ų76.359%0.58937%0.367SS*.Hα-helixtrans-62-41.6175.6-71.2178.8-140.2139.91.8112.1N388 S389 R390 L394 Q395 W396N388-R392 VanDerWaalsContact O-CG 3.3Å; N388-R392 WeakPolarHBondContact O-CG 3.34Å; N388-R392 PolarHBondContact O-N 3.1Å; S389-R392 PolarHBondContact O-N 3.01Å; R390-R392 PolarHBondContact O-N 2.89Å; R392-L394 VanDerWaalsContact C-N 3.33Å; R392-L394 PolarHBondContact O-N 2.84Å; R392-Q395 PolarHBondContact O-N 3.45Å; R392-W396 WeakPolarHBondContact O-CB 3.48Å; R392-W396 PolarHBondContact O-N 3.39Å
393A87.1Confident80.4Confident50 Ų5074.6 Ų74.641%0.41336%0.363SS..Hα-helixtrans-62.1-40177.800000112.1S389 R390 L391 K397S389-A393 PolarHBondContact O-N 2.84Å; R390-A393 WeakPolarHBondContact O-CB 3.48Å; R390-A393 PolarHBondContact O-N 3.44Å; R390-A393 VanDerWaalsContact O-N 3.16Å; L391-A393 PolarHBondContact O-N 3.31Å; A393-K397 WeakPolarHBondContact O-CG 3.45Å; A393-K397 PolarHBondContact O-N 2.84Å; A393-K397 VanDerWaalsContact O-N 3.11Å
394L83.4Confident78.3Confident32 Ų3284.1 Ų84.117%0.16840%0.399CS..Hα-helixtrans-67.9-45.6175.4-70.8170.7000112L343 R390 L391 R392 W396 K397 H398L343-L394 HydrophobicContact CB-CD1 3.57Å; L343-L394 HydrophobicContact CD1-CD1 4.17Å; R390-L394 WeakPolarHBondContact O-CG 3.49Å; R390-L394 PolarHBondContact O-N 2.96Å; L391-L394 PolarHBondContact O-N 2.81Å; R392-L394 VanDerWaalsContact C-N 3.33Å; R392-L394 PolarHBondContact O-N 2.84Å; L394-W396 VanDerWaalsContact C-N 3.29Å; L394-W396 PolarHBondContact O-N 3.36Å; L394-K397 PolarHBondContact O-N 3.26Å; L394-H398 PolarHBondContact O-CD2 3.24Å; L394-H398 PolarHBondContact O-N 3.22Å
395Q83.3Confident75.8Confident71 Ų7189.9 Ų89.933%0.33242%0.423SS..Hα-helixtrans-60.7-39.7176.7-71.3173.7-6.200111.7L391 R392 H398 S399L391-Q395 HydrophobicContact CD1-CG 4.44Å; L391-Q395 WeakPolarHBondContact O-CB 3.21Å; L391-Q395 VanDerWaalsContact O-CG 3.27Å; L391-Q395 WeakPolarHBondContact O-CG 3.44Å; L391-Q395 PolarHBondContact O-N 3.12Å; R392-Q395 PolarHBondContact O-N 3.45Å; Q395-H398 PolarHBondContact O-N 3.46Å; Q395-S399 PolarHBondContact O-N 2.87Å
396W78.7Confident73.1Confident182 Ų18288.5 Ų88.569%0.68942%0.42SS*.Hα-helixtrans-60.5-50.4174.1-177.9-90.1000111.7R392 L394 H398 S399 V400R392-W396 WeakPolarHBondContact O-CB 3.48Å; R392-W396 PolarHBondContact O-N 3.39Å; L394-W396 VanDerWaalsContact C-N 3.29Å; L394-W396 PolarHBondContact O-N 3.36Å; W396-H398 VanDerWaalsContact C-N 3.32Å; W396-H398 PolarHBondContact O-N 2.92Å; W396-S399 PolarHBondContact O-N 3.48Å; W396-S399 VanDerWaalsContact O-N 3.08Å; W396-S399 PolarHBondContact O-OG 2.86Å; W396-V400 WeakPolarHBondContact O-CG2 3.01Å; W396-V400 PolarHBondContact O-N 3.32Å; W396-V400 VanDerWaalsContact O-N 3.08Å
397K74.5Confident70.4Confident128 Ų12890.9 Ų90.956%0.55744%0.436SS*.Hα-helixtrans-53.8-49.5177.1-74.1175.8-178.6179.70111A393 L394 S399 V400 F401A393-K397 WeakPolarHBondContact O-CG 3.45Å; A393-K397 PolarHBondContact O-N 2.84Å; A393-K397 VanDerWaalsContact O-N 3.11Å; L394-K397 PolarHBondContact O-N 3.26Å; K397-S399 VanDerWaalsContact C-N 3.32Å; K397-S399 PolarHBondContact O-N 3Å; K397-V400 PolarHBondContact O-N 3.05Å; K397-F401 VanDerWaalsContact O-CD2 3.27Å; K397-F401 WeakPolarHBondContact O-CD2 3.42Å; K397-F401 PolarHBondContact O-N 3.32Å
398H70.1Confident68Low78 Ų78100.8 Ų100.836%0.36147%0.474SS..Hα-helixtrans-60.6-37.9177.7-86.7-78.8000113.5L394 Q395 W396 R402L394-H398 PolarHBondContact O-CD2 3.24Å; L394-H398 PolarHBondContact O-N 3.22Å; Q395-H398 PolarHBondContact O-N 3.46Å; W396-H398 VanDerWaalsContact C-N 3.32Å; W396-H398 PolarHBondContact O-N 2.92Å; H398-R402 PolarHBondContact O-N 3.38Å; H398-R402 VanDerWaalsContact O-N 3.15Å
399S68.3Low65.4Low58 Ų58109.3 Ų109.341%0.40650%0.504SS..Hα-helixtrans-66.1-39.4178.574.80000112.9Q395 W396 K397 R402 S403Q395-S399 PolarHBondContact O-N 2.87Å; W396-S399 PolarHBondContact O-N 3.48Å; W396-S399 VanDerWaalsContact O-N 3.08Å; W396-S399 PolarHBondContact O-OG 2.86Å; K397-S399 VanDerWaalsContact C-N 3.32Å; K397-S399 PolarHBondContact O-N 3Å; S399-R402 PolarHBondContact O-N 3.28Å; S399-S403 VanDerWaalsContact O-CB 3.3Å; S399-S403 WeakPolarHBondContact O-CB 3.36Å; S399-S403 PolarHBondContact O-N 2.57Å
400V64.4Low62.7Low72 Ų72110.2 Ų110.244%0.43651%0.51SS..Hα-helixtrans-68.7-41.6-179.9174.60000111.3W396 K397 S403 R404W396-V400 WeakPolarHBondContact O-CG2 3.01Å; W396-V400 PolarHBondContact O-N 3.32Å; W396-V400 VanDerWaalsContact O-N 3.08Å; K397-V400 PolarHBondContact O-N 3.05Å; V400-S403 PolarHBondContact O-N 3.27Å; V400-R404 PolarHBondContact O-N 3.22Å
401F58.8Low60Low166 Ų166115.6 Ų115.673%0.72855%0.546SS*.Hα-helixtrans-66.5-36176.7-82.5-76.6000112.6K397K397-F401 VanDerWaalsContact O-CD2 3.27Å; K397-F401 WeakPolarHBondContact O-CD2 3.42Å; K397-F401 PolarHBondContact O-N 3.32Å
402R55.1Low57.1Low177 Ų177121.3 Ų121.367%0.66859%0.586SS**Hα-helixtrans-71.6-42.8173.2-74.8-173.6175.5-172-0.2112.6H398 S399 R404 K405 D406H398-R402 PolarHBondContact O-N 3.38Å; H398-R402 VanDerWaalsContact O-N 3.15Å; S399-R402 PolarHBondContact O-N 3.28Å; R402-R404 VanDerWaalsContact C-N 3.31Å; R402-R404 PolarHBondContact O-N 3.44Å; R402-K405 WeakPolarHBondContact O-CB 3.5Å; R402-K405 PolarHBondContact O-N 3.47Å; R402-D406 PolarHBondContact O-N 3.43Å
403S40.3Very low54.2Low75 Ų75118.5 Ų118.552%0.52459%0.59SS.*Hα-helixtrans-64.8-31.4-177.6-169.40000113.4S399 V400 K405 D406 S407S399-S403 VanDerWaalsContact O-CB 3.3Å; S399-S403 WeakPolarHBondContact O-CB 3.36Å; S399-S403 PolarHBondContact O-N 2.57Å; V400-S403 PolarHBondContact O-N 3.27Å; S403-K405 PolarHBondContact O-N 2.87Å; S403-D406 PolarHBondContact O-N 2.91Å; S403-S407 PolarHBondContact O-N 3.43Å; S403-S407 VanDerWaalsContact O-N 3.11Å; S403-S407 PolarHBondContact O-OG 3.26Å; S403-S407 VanDerWaalsContact O-OG 3.06Å
404R46.9Very low52Low205 Ų205122.1 Ų122.177%0.77461%0.609SS**Hα-helixtrans-66.6-21.5175.5-161.9172.7179.4174.3-1.2112.7V400 R402 S407V400-R404 PolarHBondContact O-N 3.22Å; R402-R404 VanDerWaalsContact C-N 3.31Å; R402-R404 PolarHBondContact O-N 3.44Å; R404-S407 PolarHBondContact O-OG 3.33Å; R404-S407 VanDerWaalsContact O-OG 3.14Å
405K40.9Very low49.3Very low135 Ų135126.7 Ų126.759%0.58764%0.639SS**Hα-helixtrans-87.6-37.7177-141.7174.6-176.1176.40111.6R402 S403 R408R402-K405 WeakPolarHBondContact O-CB 3.5Å; R402-K405 PolarHBondContact O-N 3.47Å; S403-K405 PolarHBondContact O-N 2.87Å; K405-R408 PolarHBondContact O-N 2.95Å
406D35.7Very low47.2Very low106 Ų106128.5 Ų128.557%0.56766%0.657SS**Hα-helixtrans-73.2-27.8176.8-77.9-23.6000113.5R402 S403 R408 R409 S410R402-D406 PolarHBondContact O-N 3.43Å; S403-D406 PolarHBondContact O-N 2.91Å; D406-R408 PolarHBondContact O-N 3.08Å; D406-R408 VanDerWaalsContact O-N 3.13Å; D406-R409 PolarHBondContact O-N 2.77Å; D406-S410 PolarHBondContact O-N 2.95Å
407S38Very low44.7Very low84 Ų84130.2 Ų130.259%0.58766%0.664SS**THydrogen-bonded Turntrans-65.4-11.3171.345.90000114.2S403 R404S403-S407 PolarHBondContact O-N 3.43Å; S403-S407 VanDerWaalsContact O-N 3.11Å; S403-S407 PolarHBondContact O-OG 3.26Å; S403-S407 VanDerWaalsContact O-OG 3.06Å; R404-S407 PolarHBondContact O-OG 3.33Å; R404-S407 VanDerWaalsContact O-OG 3.14Å
408R41.4Very low42.7Very low210 Ų210133.7 Ų133.779%0.79268%0.676SS**THydrogen-bonded Turntrans-93.7-4.2169.4-86.5-177.5169.5177-7.2113.5K405 D406K405-R408 PolarHBondContact O-N 2.95Å; D406-R408 PolarHBondContact O-N 3.08Å; D406-R408 VanDerWaalsContact O-N 3.13Å
409R39.8Very low40.5Very low210 Ų210136 Ų13679%0.79270%0.695SS**THydrogen-bonded Turntrans-127.76.2-177-86.7-172.3177179.5-0.1116.9D406D406-R409 PolarHBondContact O-N 2.77Å
410S36.3Very low38.6Very low88 Ų88141.9 Ų141.962%0.61571%0.714SS**  trans-150102.2170.568.10000114.4D406D406-S410 PolarHBondContact O-N 2.95Å
411V33.7Very low36.6Very low141 Ų141148.9 Ų148.986%0.85573%0.734SS**  trans-132.493.5146.2-175.90000107.9
412S31.2Very low35.1Very low124 Ų124151.6 Ų151.687%0.86774%0.741SS**  trans-138.898.1147.778.30000109
413S29.5Very low33.7Very low96 Ų96150.5 Ų150.567%0.67175%0.748SS**  trans-116.913815757.30000107.4T415S413-T415 PolarHBondContact O-N 2.92Å
414P40.8Very low33.3Very low126 Ų126152.9 Ų152.982%0.81876%0.76SS**  trans-89.3113.4-169.833.3-29.4000110.5
415T27.9Very low32.7Very low128 Ų128146.4 Ų146.479%0.78576%0.757SS**  trans-149.5134.6154.719.30000110S413S413-T415 PolarHBondContact O-N 2.92Å
416P39.5Very low32.2Very low109 Ų109146.7 Ų146.771%0.70876%0.764SS**  trans-83.3139.6-179.434.8-30.7000109.2
417Y25.5Very low32.3Very low218 Ų218144.9 Ų144.986%0.85576%0.76SS**  trans160.6125.2144.2-95.7-78.8000109.7
418Y33.2Very low32.4Very low202 Ų202147.5 Ų147.579%0.79277%0.767SS**  trans-16123.3175.8-90.3-98.2000118.4F420Y418-F420 HydrophobicContact CD1-CE2 4.2Å; Y418-F420 HydrophobicContact CE1-CE2 4.08Å
419T23.4Very low32.3Very low126 Ų126144.4 Ų144.477%0.77376%0.762SS**  trans-155.1126.7139.6-240000110.6
420F29.1Very low32.4Very low181 Ų181140.1 Ų140.179%0.79475%0.751SS**  trans-71130.2174.2-81.7-99.2000110.3Y418Y418-F420 HydrophobicContact CD1-CE2 4.2Å; Y418-F420 HydrophobicContact CE1-CE2 4.08Å
421Y22.8Very low32.5Very low220 Ų220142.4 Ų142.486%0.86375%0.752SS**  trans-127.1138.9165-104.4-91.3000109.5
422Y25.7Very low32.9Very low222 Ų222140 Ų14087%0.87174%0.737SS**  trans-63.6133.9178.1-77.6-92000110.9T424Y422-T424 PolarHBondContact O-N 2.93Å
423D25.8Very low33.6Very low154 Ų154139.2 Ų139.282%0.82472%0.72SS**  trans-64.2103.4168.3-166.98.4000109.2
424T32.5Very low34.3Very low125 Ų125139.5 Ų139.577%0.76771%0.71SS**  trans-105.795.6155.5450000106.6Y422 L426Y422-T424 PolarHBondContact O-N 2.93Å; T424-L426 PolarHBondContact O-N 3.38Å
425G34.5Very low34.2Very low69 Ų69138.9 Ų138.971%0.71170%0.697SS**  trans-54.7115.7170.600000110.6
426L30.9Very low35.3Very low141 Ų141136.9 Ų136.974%0.73868%0.684SS**  trans-86.7125155.5-80.7157.1000106.1T424T424-L426 PolarHBondContact O-N 3.38Å
427S37.3Very low35.8Very low68 Ų68133.1 Ų133.148%0.47666%0.658SS.*  trans-72149.1-170.954.90000112.4E429S427-E429 PolarHBondContact O-N 3.13Å
428D39.4Very low37Very low140 Ų140130 Ų13075%0.74965%0.645SS**THydrogen-bonded Turntrans-58.31.8166.3-68.2-40000113.5V432D428-V432 WeakPolarHBondContact O-CG2 3.21Å
429E40.5Very low37.9Very low144 Ų144126.6 Ų126.667%0.67364%0.64SS**Hα-helixtrans-81.8-32.7-177.2-63.9-170.1157.100113.4S427 V432 E433S427-E429 PolarHBondContact O-N 3.13Å; E429-V432 PolarHBondContact O-N 3.43Å; E429-E433 PolarHBondContact O-N 3.39Å
430E40.5Very low39.5Very low120 Ų120123.4 Ų123.456%0.56162%0.62SS**Hα-helixtrans-68.2-36.8178.3-79.6-170.8165.100112.2E434E430-E434 PolarHBondContact O-N 3.03Å; E430-E434 VanDerWaalsContact O-N 3.14Å
431E38.7Very low41.4Very low137 Ų137116 Ų11664%0.6459%0.59SS**Hα-helixtrans-72.6-31.7176-79.1-165.3152.200112.2Q435E431-Q435 WeakPolarHBondContact O-CB 3.47Å; E431-Q435 PolarHBondContact O-N 3.29Å
432V43.3Very low43.7Very low90 Ų90107.4 Ų107.455%0.54556%0.559SS.*Hα-helixtrans-72.4-40.1175.5174.10000110.9D428 E429 Q435 V436D428-V432 WeakPolarHBondContact O-CG2 3.21Å; E429-V432 PolarHBondContact O-N 3.43Å; V432-Q435 PolarHBondContact O-N 3.48Å; V432-V436 HydrophobicContact CG1-CG2 4.35Å; V432-V436 WeakPolarHBondContact O-CB 3.49Å; V432-V436 VanDerWaalsContact O-CG2 3.23Å; V432-V436 WeakPolarHBondContact O-CG2 3.48Å; V432-V436 PolarHBondContact O-N 2.87Å
433E45.9Very low46Very low107 Ų107100.8 Ų100.850%0.555%0.545SS..Hα-helixtrans-62-45173.2-83.7-168.2152.200112.3E429 Q435 V436 L437 Q529E429-E433 PolarHBondContact O-N 3.39Å; E433-Q435 VanDerWaalsContact C-N 3.28Å; E433-Q435 PolarHBondContact O-N 3.16Å; E433-V436 PolarHBondContact O-N 3.37Å; E433-L437 WeakPolarHBondContact O-CB 3.24Å; E433-L437 WeakPolarHBondContact O-CD1 3.39Å; E433-L437 WeakPolarHBondContact O-CG 3.39Å; E433-L437 PolarHBondContact O-N 3.36Å; E433-Q529 PolarHBondContact OE2-NE2 2.61Å
434E42.4Very low48.5Very low102 Ų10298.9 Ų98.948%0.47753%0.531SS..Hα-helixtrans-63.1-35.1178.6-157.1-170.9151.600111.9E430 R438E430-E434 PolarHBondContact O-N 3.03Å; E430-E434 VanDerWaalsContact O-N 3.14Å; E434-R438 PolarHBondContact O-N 2.89Å; E434-R438 IonicContact OE1-CZ 2.8Å; E434-R438 IonicContact OE1-NH2 3.52Å; E434-R438 PolarHBondContact OE1-NH2 3.49Å
435Q39.3Very low50.8Low114 Ų11493.5 Ų93.553%0.53350%0.5SS..Hα-helixtrans-74.7-36.3177.3-160.873.214.800112.6E431 V432 E433 N439E431-Q435 WeakPolarHBondContact O-CB 3.47Å; E431-Q435 PolarHBondContact O-N 3.29Å; V432-Q435 PolarHBondContact O-N 3.48Å; E433-Q435 VanDerWaalsContact C-N 3.28Å; E433-Q435 PolarHBondContact O-N 3.16Å; Q435-N439 PolarHBondContact O-N 3.24Å; Q435-N439 PolarHBondContact O-ND2 3.45Å
436V50.6Low53Low85 Ų8590.3 Ų90.352%0.51547%0.466SS..Hα-helixtrans-69.1-36.2174.2171.70000111.3V432 E433 N439 T440V432-V436 HydrophobicContact CG1-CG2 4.35Å; V432-V436 WeakPolarHBondContact O-CB 3.49Å; V432-V436 VanDerWaalsContact O-CG2 3.23Å; V432-V436 WeakPolarHBondContact O-CG2 3.48Å; V432-V436 PolarHBondContact O-N 2.87Å; E433-V436 PolarHBondContact O-N 3.37Å; V436-N439 PolarHBondContact O-N 3.35Å; V436-T440 PolarHBondContact O-N 3.22Å; V436-T440 VanDerWaalsContact O-N 3.11Å; V436-T440 PolarHBondContact O-OG1 3.41Å
437L50.3Low55.3Low30 Ų3084.2 Ų84.216%0.15743%0.434CS..Hα-helixtrans-63.9-42.9175.4-83.5155000112.5E433 N439 T440 V441 Q529E433-L437 WeakPolarHBondContact O-CB 3.24Å; E433-L437 WeakPolarHBondContact O-CD1 3.39Å; E433-L437 WeakPolarHBondContact O-CG 3.39Å; E433-L437 PolarHBondContact O-N 3.36Å; L437-N439 PolarHBondContact O-N 3.43Å; L437-T440 PolarHBondContact O-N 3.22Å; L437-T440 VanDerWaalsContact O-N 3.1Å; L437-V441 PolarHBondContact O-N 2.84Å; L437-Q529 HydrophobicContact CD2-CB 4.46Å
438R51.1Low57.1Low154 Ų15484.6 Ų84.658%0.58143%0.434SS*.Hα-helixtrans-63.4-27.9173.6-74.1-174.3-164.5179.810.9113.3E434E434-R438 PolarHBondContact O-N 2.89Å; E434-R438 IonicContact OE1-CZ 2.8Å; E434-R438 IonicContact OE1-NH2 3.52Å; E434-R438 PolarHBondContact OE1-NH2 3.49Å
439N51.4Low58.5Low130 Ų13080.3 Ų80.370%0.69542%0.417SS*.Hα-helixtrans-83.3-13.4176-67.3-17.6000113.3Q435 V436 L437Q435-N439 PolarHBondContact O-N 3.24Å; Q435-N439 PolarHBondContact O-ND2 3.45Å; V436-N439 PolarHBondContact O-N 3.35Å; L437-N439 PolarHBondContact O-N 3.43Å
440T57.8Low59.8Low58 Ų5875.8 Ų75.836%0.35640%0.396SS..Hα-helixtrans-95.2-30.2-176.7-55.90000112.9V436 L437 R567V436-T440 PolarHBondContact O-N 3.22Å; V436-T440 VanDerWaalsContact O-N 3.11Å; V436-T440 PolarHBondContact O-OG1 3.41Å; L437-T440 PolarHBondContact O-N 3.22Å; L437-T440 VanDerWaalsContact O-N 3.1Å; T440-R567 PolarHBondContact O-NH2 3.48Å; T440-R567 VanDerWaalsContact O-NH2 3.12Å
441V69.7Low60.7Low25 Ų2575.6 Ų75.615%0.15240%0.395CS..SBendtrans-81.4130.7178.1178.90000109.9L437 S443 Y524 E598L437-V441 PolarHBondContact O-N 2.84Å; V441-S443 PolarHBondContact O-N 2.82Å; V441-Y524 HydrophobicContact CG1-CE1 4.15Å; V441-Y524 HydrophobicContact CG2-CE1 4.34Å; V441-E598 HydrophobicContact CG1-CB 3.94Å; V441-E598 HydrophobicContact CG1-CG 4.26Å
442N70.1Confident61Low41 Ų4177.3 Ų77.322%0.21940%0.402CS..  trans-69.3121.4179.2-166.14.5000110.6E444 L446 E598N442-E444 VanDerWaalsContact CG-O 3.3Å; N442-E444 PolarHBondContact ND2-O 3.25Å; N442-E444 PolarHBondContact OD1-N 2.82Å; N442-E444 PolarHBondContact OD1-O 3.01Å; N442-L446 VanDerWaalsContact ND2-CD2 3.32Å; N442-L446 WeakPolarHBondContact ND2-CD2 3.44Å; N442-E598 HydrophobicContact CB-CB 4.34Å; N442-E598 PolarHBondContact N-OE2 3.26Å
443S73.5Confident60.5Low82 Ų8277.6 Ų77.657%0.57341%0.408SS*.  trans-88.5-9.5-174.9-64.50000113.6V441 K597V441-S443 PolarHBondContact O-N 2.82Å; S443-K597 VanDerWaalsContact O-CD 3.31Å; S443-K597 WeakPolarHBondContact O-CD 3.19Å
444E77.9Confident60Low114 Ų11483.8 Ų83.853%0.53343%0.427SS..SBendtrans-123.8156.8177.1-64.5-173.417500110.9N442N442-E444 VanDerWaalsContact CG-O 3.3Å; N442-E444 PolarHBondContact ND2-O 3.25Å; N442-E444 PolarHBondContact OD1-N 2.82Å; N442-E444 PolarHBondContact OD1-O 3.01Å
445A81.8Confident59.7Low13 Ų1385.4 Ų85.411%0.10745%0.447CS..  trans-66.5144.9173.900000110.5M447 T448A445-M447 VanDerWaalsContact C-N 3.27Å; A445-M447 PolarHBondContact O-N 3.21Å; A445-T448 WeakPolarHBondContact O-CB 3.46Å; A445-T448 PolarHBondContact O-N 2.87Å; A445-T448 VanDerWaalsContact O-N 3.13Å
446L80Confident59.7Low1 Ų183.4 Ų83.41%0.00546%0.456CS..Hα-helixtrans-62.6-34.1-173.7-64.8173.6000112.2N442 T448 A449 F450 A555 F556 L593 L594N442-L446 VanDerWaalsContact ND2-CD2 3.32Å; N442-L446 WeakPolarHBondContact ND2-CD2 3.44Å; L446-T448 VanDerWaalsContact C-N 3.3Å; L446-T448 PolarHBondContact O-N 3.09Å; L446-A449 PolarHBondContact O-N 3.43Å; L446-F450 HydrophobicContact CB-CD2 4.17Å; L446-F450 HydrophobicContact CB-CE2 4.39Å; L446-F450 HydrophobicContact CD2-CE2 3.93Å; L446-F450 WeakPolarHBondContact O-CD2 3.45Å; L446-F450 PolarHBondContact O-N 3.25Å; L446-A555 HydrophobicContact CB-CB 4.04Å; L446-A555 HydrophobicContact CD1-CB 4.18Å; L446-F556 HydrophobicContact CD1-CE1 4.09Å; L446-F556 HydrophobicContact CD1-CZ 3.95Å; L446-L593 WeakPolarHBondContact CB-O 3.47Å; L446-L593 HydrophobicContact CD1-CB 3.76Å; L446-L593 HydrophobicContact CG-CB 4.47Å; L446-L593 VanDerWaalsContact CG-O 3.3Å; L446-L593 WeakPolarHBondContact CG-O 3.46Å; L446-L593 PolarHBondContact N-O 3Å; L446-L593 VanDerWaalsContact N-O 3.1Å; L446-L594 HydrophobicContact CB-CD2 4.15Å
447M79.6Confident59Low13 Ų1387.1 Ų87.16%0.06447%0.474CS..Hα-helixtrans-61-37.5177.5-73-74.2-78.900112.7A445 A449 F450 H451 L594 Y595A445-M447 VanDerWaalsContact C-N 3.27Å; A445-M447 PolarHBondContact O-N 3.21Å; M447-A449 VanDerWaalsContact C-N 3.3Å; M447-A449 PolarHBondContact O-N 3.33Å; M447-F450 PolarHBondContact O-N 3.08Å; M447-H451 WeakPolarHBondContact CE-CE1 3.48Å; M447-H451 WeakPolarHBondContact CE-NE2 3.37Å; M447-H451 WeakPolarHBondContact O-CB 3.48Å; M447-H451 PolarHBondContact O-N 3.3Å; M447-L594 VanDerWaalsContact CB-O 3.22Å; M447-L594 WeakPolarHBondContact CB-O 3.49Å; M447-L594 HydrophobicContact CG-CB 3.73Å; M447-L594 HydrophobicContact CG-CD2 4.21Å; M447-L594 HydrophobicContact CG-CG 4.46Å; M447-L594 WeakPolarHBondContact CG-O 3.38Å; M447-L594 PolarHBondContact N-O 3.48Å; M447-L594 VanDerWaalsContact N-O 3.11Å; M447-L594 HydrophobicContact SD-CD2 4.37Å; M447-Y595 HydrophobicContact CE-CE1 4.33Å; M447-Y595 HydrophobicContact CG-CE1 4.28Å
448T75.3Confident58.4Low77 Ų7793.5 Ų93.547%0.47251%0.508SS..Hα-helixtrans-64-36.5177.6-48.90000111.8A445 L446A445-T448 WeakPolarHBondContact O-CB 3.46Å; A445-T448 PolarHBondContact O-N 2.87Å; A445-T448 VanDerWaalsContact O-N 3.13Å; L446-T448 VanDerWaalsContact C-N 3.3Å; L446-T448 PolarHBondContact O-N 3.09Å
449A69.1Low57.8Low49 Ų4989.6 Ų89.641%0.40552%0.515SS..Hα-helixtrans-77.4-32.217900000113.5L446 M447L446-A449 PolarHBondContact O-N 3.43Å; M447-A449 VanDerWaalsContact C-N 3.3Å; M447-A449 PolarHBondContact O-N 3.33Å
450F66.8Low57.1Low50 Ų5091.2 Ų91.222%0.21952%0.524CS..Hα-helixtrans-105-6.1-170.8-67.1-66.5000115.6L446 M447 A555 N558L446-F450 HydrophobicContact CB-CD2 4.17Å; L446-F450 HydrophobicContact CB-CE2 4.39Å; L446-F450 HydrophobicContact CD2-CE2 3.93Å; L446-F450 WeakPolarHBondContact O-CD2 3.45Å; L446-F450 PolarHBondContact O-N 3.25Å; M447-F450 PolarHBondContact O-N 3.08Å; F450-A555 HydrophobicContact CD2-CB 3.72Å; F450-A555 HydrophobicContact CE2-CB 4.14Å; F450-A555 HydrophobicContact CG-CB 4.44Å; F450-N558 HydrophobicContact CE1-CB 3.99Å; F450-N558 VanDerWaalsContact CE1-ND2 3.3Å; F450-N558 WeakPolarHBondContact CE1-ND2 3.43Å; F450-N558 HydrophobicContact CZ-CB 3.85Å
451H61Low56.6Low116 Ų11698.4 Ų98.454%0.53755%0.55SS..SBendtrans-82.9-8.2173.3-89.3-146.3000114.9M447 S453M447-H451 WeakPolarHBondContact CE-CE1 3.48Å; M447-H451 WeakPolarHBondContact CE-NE2 3.37Å; M447-H451 WeakPolarHBondContact O-CB 3.48Å; M447-H451 PolarHBondContact O-N 3.3Å; H451-S453 PolarHBondContact O-N 3.42Å; H451-S453 VanDerWaalsContact O-N 3.12Å
452Q44.7Very low56.2Low172 Ų172100.3 Ų100.380%0.80456%0.564SS**SBendtrans-77.710.8-174-69-170.78.500116.1
453S32.9Very low56.4Low96 Ų96102.8 Ų102.867%0.67158%0.576SS**  trans-133.748.5-174.149.20000115.3H451H451-S453 PolarHBondContact O-N 3.42Å; H451-S453 VanDerWaalsContact O-N 3.12Å
454R35.8Very low56.8Low237 Ų237100.1 Ų100.189%0.89456%0.555SS**  trans-132.985.6156.8-95.6175.8141.4150.2-7.4111.2G456R454-G456 PolarHBondContact O-N 3.19Å
455P36.3Very low57.2Low137 Ų13797.6 Ų97.689%0.8955%0.548SS*.THydrogen-bonded Turntrans-78.798.8170.830.5-27000108.2
456G38.5Very low57.5Low71 Ų71100.8 Ų100.873%0.73257%0.566SS**THydrogen-bonded Turntrans166.6-2.1171.400000121.1R454 N458R454-G456 PolarHBondContact O-N 3.19Å; G456-N458 PolarHBondContact O-N 3.38Å
457D34.6Very low58Low164 Ų164102 Ų10288%0.87757%0.571SS**  trans-97.485.9179.8-145.59.8000111.9G459D457-G459 PolarHBondContact O-N 3.37Å
458N38.2Very low58.6Low164 Ų164104.7 Ų104.788%0.87758%0.584SS**  trans-75.5115.1172.8-97.5-14.9000109.8G456G456-N458 PolarHBondContact O-N 3.38Å
459G38.8Very low59.5Low71 Ų71109.4 Ų109.473%0.73259%0.593SS**  trans10527.2137.400000119.8D457D457-G459 PolarHBondContact O-N 3.37Å
460N37.9Very low60.7Low164 Ų164110.6 Ų110.688%0.87759%0.592SS**  trans-99.7125.3158-98.4-2.2000110.3S462N460-S462 VanDerWaalsContact C-N 3.34Å; N460-S462 PolarHBondContact O-N 3.49Å
461K45.6Very low62Low209 Ų209108.3 Ų108.391%0.90958%0.582SS**  trans-62.793.3177-69.1173.51801720108.6M463K461-M463 PolarHBondContact O-N 3.41Å
462S61.8Low63.6Low65 Ų65106.9 Ų106.946%0.45558%0.578SS.*  trans-52.6133172.71750000109.6N460 E464 P465N460-S462 VanDerWaalsContact C-N 3.34Å; N460-S462 PolarHBondContact O-N 3.49Å; S462-E464 PolarHBondContact O-N 2.85Å; S462-E464 WeakPolarHBondContact OG-CB 3.27Å; S462-E464 PolarHBondContact OG-N 2.9Å; S462-P465 VanDerWaalsContact O-CD 3.29Å; S462-P465 WeakPolarHBondContact O-CD 3.19Å
463M73.6Confident66Low93 Ų93103.9 Ų103.946%0.45857%0.568SS.*SBendtrans-71.1-10.8174.2-85.3-168.363.800112.3K461 V466 K467K461-M463 PolarHBondContact O-N 3.41Å; M463-V466 WeakPolarHBondContact O-CA 3.18Å; M463-V466 VanDerWaalsContact O-CB 3.32Å; M463-V466 WeakPolarHBondContact O-CB 3.45Å; M463-V466 PolarHBondContact O-N 2.89Å; M463-K467 PolarHBondContact O-N 3.27Å
464E82.9Confident68.8Low27 Ų2799.8 Ų99.813%0.12654%0.538CS..Hα-helixtrans-54.4-51-176.1-155.871.2169.700115.4S462 V466 K467 E468 P499 E500S462-E464 PolarHBondContact O-N 2.85Å; S462-E464 WeakPolarHBondContact OG-CB 3.27Å; S462-E464 PolarHBondContact OG-N 2.9Å; E464-V466 PolarHBondContact O-N 3.24Å; E464-V466 VanDerWaalsContact O-N 3.14Å; E464-K467 PolarHBondContact O-N 2.88Å; E464-K467 IonicContact OE2-NZ 3.48Å; E464-E468 PolarHBondContact O-N 3.35Å; E464-P499 VanDerWaalsContact OE1-C 3.28Å; E464-P499 WeakPolarHBondContact OE1-CA 3.42Å; E464-E500 VanDerWaalsContact OE1-CG 3.27Å; E464-E500 WeakPolarHBondContact OE1-CG 3.4Å; E464-E500 PolarHBondContact OE1-N 3.39Å
465P86.6Confident71.6Confident61 Ų6189.4 Ų89.440%0.39650%0.499SS..Hα-helixtrans-62.8-21.8175.725.2-37.6000113.6S462 R469S462-P465 VanDerWaalsContact O-CD 3.29Å; S462-P465 WeakPolarHBondContact O-CD 3.19Å; P465-R469 WeakPolarHBondContact O-CD 3.12Å; P465-R469 VanDerWaalsContact O-CG 3.27Å; P465-R469 WeakPolarHBondContact O-CG 3.49Å; P465-R469 PolarHBondContact O-N 3.02Å
466V88.3Confident74.2Confident79 Ų7988.8 Ų88.848%0.47949%0.493SS..Hα-helixtrans-76.1-44.6173.6-1790000109.7M463 E464 R469 L470M463-V466 WeakPolarHBondContact O-CA 3.18Å; M463-V466 VanDerWaalsContact O-CB 3.32Å; M463-V466 WeakPolarHBondContact O-CB 3.45Å; M463-V466 PolarHBondContact O-N 2.89Å; E464-V466 PolarHBondContact O-N 3.24Å; E464-V466 VanDerWaalsContact O-N 3.14Å; V466-R469 PolarHBondContact O-N 3.43Å; V466-L470 HydrophobicContact CG1-CD1 4.47Å; V466-L470 WeakPolarHBondContact O-CG 3.4Å; V466-L470 PolarHBondContact O-N 2.93Å; V466-L470 VanDerWaalsContact O-N 3.15Å
467K89.8Confident76.6Confident26 Ų2689.4 Ų89.411%0.11348%0.477CS..Hα-helixtrans-60.1-46.3175.6-64.1177.4-178.7171.40111M463 E464 R469 L470 W471 M496 P499M463-K467 PolarHBondContact O-N 3.27Å; E464-K467 PolarHBondContact O-N 2.88Å; E464-K467 IonicContact OE2-NZ 3.48Å; K467-R469 VanDerWaalsContact C-N 3.34Å; K467-R469 PolarHBondContact O-N 3.29Å; K467-L470 PolarHBondContact O-N 3.26Å; K467-L470 VanDerWaalsContact O-N 3.16Å; K467-W471 VanDerWaalsContact O-CD1 3.24Å; K467-W471 PolarHBondContact O-N 2.99Å; K467-M496 WeakPolarHBondContact CE-O 3.27Å; K467-P499 HydrophobicContact CB-CG 3.67Å
468E92.4Very high79.2Confident71 Ų7181.9 Ų81.933%0.33244%0.436SS..Hα-helixtrans-56.1-45.7177.6-71.8-177.8156.100112.3E464 L470 W471 D472 P499 S501E464-E468 PolarHBondContact O-N 3.35Å; E468-L470 PolarHBondContact O-N 3.15Å; E468-W471 PolarHBondContact O-N 3.1Å; E468-W471 VanDerWaalsContact O-N 3.17Å; E468-D472 PolarHBondContact O-N 3.36Å; E468-P499 HydrophobicContact CG-CB 3.82Å; E468-P499 HydrophobicContact CG-CG 3.97Å; E468-S501 PolarHBondContact OE1-OG 3.45Å
469R93.6Very high81.7Confident176 Ų17674.4 Ų74.466%0.66440%0.398SS*.Hα-helixtrans-61.3-41.8176.8-72.3172.2-173.2-177.13.1112.9P465 V466 K467 W471 D472 D473P465-R469 WeakPolarHBondContact O-CD 3.12Å; P465-R469 VanDerWaalsContact O-CG 3.27Å; P465-R469 WeakPolarHBondContact O-CG 3.49Å; P465-R469 PolarHBondContact O-N 3.02Å; V466-R469 PolarHBondContact O-N 3.43Å; K467-R469 VanDerWaalsContact C-N 3.34Å; K467-R469 PolarHBondContact O-N 3.29Å; R469-W471 VanDerWaalsContact C-N 3.26Å; R469-W471 PolarHBondContact O-N 3.1Å; R469-D472 PolarHBondContact O-N 2.82Å; R469-D473 PolarHBondContact O-N 3.44Å
470L94.3Very high84.1Confident73 Ų7376.5 Ų76.538%0.38238%0.384SS..Hα-helixtrans-63.3-35.3177.2-69.1172.7000111.8V466 K467 E468 H474 L493 M496V466-L470 HydrophobicContact CG1-CD1 4.47Å; V466-L470 WeakPolarHBondContact O-CG 3.4Å; V466-L470 PolarHBondContact O-N 2.93Å; V466-L470 VanDerWaalsContact O-N 3.15Å; K467-L470 PolarHBondContact O-N 3.26Å; K467-L470 VanDerWaalsContact O-N 3.16Å; E468-L470 PolarHBondContact O-N 3.15Å; L470-H474 WeakPolarHBondContact O-CB 3.47Å; L470-H474 PolarHBondContact O-N 3.44Å; L470-L493 HydrophobicContact CB-CD2 3.8Å; L470-L493 HydrophobicContact CD1-CD2 4.34Å; L470-M496 HydrophobicContact CD1-CE 4.46Å
471W95.4Very high86.7Confident2 Ų269.6 Ų69.61%0.00835%0.351CS..Hα-helixtrans-70.1-40.6174-82.399.7000112.4K467 E468 R469 D473 H474 F475 I490 L493 V494 I498 P499 L502 L506 F510K467-W471 VanDerWaalsContact O-CD1 3.24Å; K467-W471 PolarHBondContact O-N 2.99Å; E468-W471 PolarHBondContact O-N 3.1Å; E468-W471 VanDerWaalsContact O-N 3.17Å; R469-W471 VanDerWaalsContact C-N 3.26Å; R469-W471 PolarHBondContact O-N 3.1Å; W471-D473 PolarHBondContact O-N 3.26Å; W471-H474 WeakPolarHBondContact O-CB 3.2Å; W471-H474 PolarHBondContact O-N 3.01Å; W471-F475 HydrophobicContact CB-CE2 4.18Å; W471-F475 HydrophobicContact CB-CZ 4.46Å; W471-F475 AromaticContact CE3-CE1 3.86Å; W471-F475 HydrophobicContact CE3-CE1 3.86Å; W471-F475 AromaticContact CE3-CZ 3.79Å; W471-F475 HydrophobicContact CE3-CZ 3.79Å; W471-F475 HydrophobicContact CZ3-CE1 4.29Å; W471-F475 WeakPolarHBondContact O-CD2 3.33Å; W471-F475 VanDerWaalsContact O-CG 3.24Å; W471-F475 WeakPolarHBondContact O-CG 3.45Å; W471-F475 PolarHBondContact O-N 3.49Å; W471-I490 HydrophobicContact CH2-CD1 3.96Å; W471-I490 HydrophobicContact CH2-CG1 3.72Å; W471-I490 HydrophobicContact CZ3-CD1 3.83Å; W471-I490 HydrophobicContact CZ3-CG1 3.97Å; W471-L493 HydrophobicContact CD2-CD1 4.44Å; W471-L493 HydrophobicContact CH2-CB 4.36Å; W471-L493 HydrophobicContact CZ2-CB 3.81Å; W471-V494 HydrophobicContact CH2-CG2 3.8Å; W471-V494 HydrophobicContact CZ2-CG2 3.95Å; W471-I498 HydrophobicContact CZ2-CG1 3.86Å; W471-P499 VanDerWaalsContact NE1-CD 3.3Å; W471-L502 HydrophobicContact CB-CD1 3.69Å; W471-L502 HydrophobicContact CG-CD1 3.89Å; W471-L506 HydrophobicContact CD2-CD1 4.09Å; W471-L506 HydrophobicContact CE3-CD1 3.83Å; W471-L506 HydrophobicContact CH2-CD1 3.81Å; W471-L506 HydrophobicContact CZ2-CD1 4.07Å; W471-L506 HydrophobicContact CZ3-CD1 3.68Å; W471-L506 HydrophobicContact CZ3-CD2 4.1Å; W471-F510 HydrophobicContact CH2-CZ 4.01Å; W471-F510 HydrophobicContact CZ3-CZ 4.39Å
472D94.9Very high88.8Confident87 Ų8759.7 Ų59.747%0.46531%0.308SS..Hα-helixtrans-61.8-42.7174.7-76.7-25.4000112.5E468 R469 H474 F475 T476E468-D472 PolarHBondContact O-N 3.36Å; R469-D472 PolarHBondContact O-N 2.82Å; D472-H474 VanDerWaalsContact C-N 3.31Å; D472-H474 PolarHBondContact O-N 3.45Å; D472-F475 PolarHBondContact O-N 3.2Å; D472-T476 PolarHBondContact O-N 3.32Å; D472-T476 VanDerWaalsContact O-N 3.1Å; D472-T476 PolarHBondContact O-OG1 2.9Å
473D93.4Very high90.3Very high109 Ų10957 Ų5758%0.58329%0.289SS*.Hα-helixtrans-60.8-43.2173.5-73.4-18.6000110.6R469 W471 T476 E477R469-D473 PolarHBondContact O-N 3.44Å; W471-D473 PolarHBondContact O-N 3.26Å; D473-T476 PolarHBondContact O-N 3.02Å; D473-E477 PolarHBondContact O-N 3.3Å
474H93.3Very high91.2Very high9 Ų952.7 Ų52.74%0.04227%0.267CS..Hα-helixtrans-61.7-46.1176.2-172.278.3000112.4L470 W471 D472 T476 E477 F478 L493L470-H474 WeakPolarHBondContact O-CB 3.47Å; L470-H474 PolarHBondContact O-N 3.44Å; W471-H474 WeakPolarHBondContact O-CB 3.2Å; W471-H474 PolarHBondContact O-N 3.01Å; D472-H474 VanDerWaalsContact C-N 3.31Å; D472-H474 PolarHBondContact O-N 3.45Å; H474-T476 PolarHBondContact O-N 3.12Å; H474-E477 PolarHBondContact O-N 2.85Å; H474-E477 VanDerWaalsContact O-N 3.17Å; H474-F478 AromaticContact CE1-CD2 3.17Å; H474-F478 WeakPolarHBondContact CE1-CD2 3.29Å; H474-F478 AromaticContact CE1-CE2 3.84Å; H474-F478 AromaticContact CE1-CG 3.42Å; H474-F478 VanDerWaalsContact CE1-CG 3.42Å; H474-F478 WeakPolarHBondContact CE1-CG 3.48Å; H474-F478 AromaticContact CG-CD2 3.99Å; H474-F478 AromaticContact ND1-CD2 3.26Å; H474-F478 VanDerWaalsContact ND1-CD2 3.26Å; H474-F478 WeakPolarHBondContact ND1-CD2 3.36Å; H474-F478 AromaticContact ND1-CE2 3.77Å; H474-F478 AromaticContact ND1-CG 3.99Å; H474-F478 AromaticContact NE2-CD2 3.87Å; H474-F478 AromaticContact NE2-CG 3.82Å; H474-F478 PolarHBondContact O-N 3.12Å; H474-L493 HydrophobicContact CB-CD1 3.62Å
475F93.9Very high91.7Very high20 Ų2051.9 Ų51.99%0.08826%0.263CS..Hα-helixtrans-61.3-33.4178.8-66.2-37.2000112.7W471 D472 G479 R480 M484 L502 L506W471-F475 HydrophobicContact CB-CE2 4.18Å; W471-F475 HydrophobicContact CB-CZ 4.46Å; W471-F475 AromaticContact CE3-CE1 3.86Å; W471-F475 HydrophobicContact CE3-CE1 3.86Å; W471-F475 AromaticContact CE3-CZ 3.79Å; W471-F475 HydrophobicContact CE3-CZ 3.79Å; W471-F475 HydrophobicContact CZ3-CE1 4.29Å; W471-F475 WeakPolarHBondContact O-CD2 3.33Å; W471-F475 VanDerWaalsContact O-CG 3.24Å; W471-F475 WeakPolarHBondContact O-CG 3.45Å; W471-F475 PolarHBondContact O-N 3.49Å; D472-F475 PolarHBondContact O-N 3.2Å; F475-G479 WeakPolarHBondContact CA-O 3.44Å; F475-G479 CarbonylContact O-C 3.23Å; F475-G479 WeakPolarHBondContact O-CA 3.23Å; F475-G479 PolarHBondContact O-N 3.29Å; F475-R480 HydrophobicContact CB-CB 4.15Å; F475-R480 HydrophobicContact CD1-CB 3.74Å; F475-R480 HydrophobicContact CD1-CG 3.84Å; F475-R480 HydrophobicContact CD2-CG 4.48Å; F475-R480 HydrophobicContact CE1-CB 4.35Å; F475-R480 HydrophobicContact CE1-CG 3.98Å; F475-R480 HydrophobicContact CG-CB 3.99Å; F475-R480 HydrophobicContact CG-CG 4.11Å; F475-R480 HydrophobicContact CZ-CG 4.36Å; F475-M484 HydrophobicContact CD1-SD 4.21Å; F475-M484 HydrophobicContact CE1-SD 4.31Å; F475-L502 HydrophobicContact CE2-CD1 4.3Å; F475-L506 HydrophobicContact CE1-CD2 4.11Å; F475-L506 HydrophobicContact CZ-CD2 4.06Å
476T90.1Very high92Very high123 Ų12349.3 Ų49.376%0.75525%0.246SC*.Hα-helixtrans-68.7-40.3177.2-56.60000111.6D472 D473 H474D472-T476 PolarHBondContact O-N 3.32Å; D472-T476 VanDerWaalsContact O-N 3.1Å; D472-T476 PolarHBondContact O-OG1 2.9Å; D473-T476 PolarHBondContact O-N 3.02Å; H474-T476 PolarHBondContact O-N 3.12Å
477E88.8Confident92.2Very high84 Ų8446 Ų4639%0.39323%0.226SC..Hα-helixtrans-84.1-41.4-177.5-171-176165.300113.2H311 D473 H474 K489H311-E477 HydrophobicContact CB-CG 4.29Å; H311-E477 WeakPolarHBondContact CB-OE1 3.39Å; D473-E477 PolarHBondContact O-N 3.3Å; H474-E477 PolarHBondContact O-N 2.85Å; H474-E477 VanDerWaalsContact O-N 3.17Å; E477-K489 VanDerWaalsContact CD-NZ 3.32Å; E477-K489 IonicContact OE1-NZ 3.88Å; E477-K489 PolarHBondContact OE1-NZ 3.43Å; E477-K489 IonicContact OE2-NZ 2.83Å; E477-K489 PolarHBondContact OE2-NZ 3.23Å
478F90.1Very high92.2Very high7 Ų749.8 Ų49.83%0.03124%0.244CC..Hα-helixtrans-110.4-7.3-169.5-63.4-88.6000114.4H311 H474 M484 F485 T487 K489H311-F478 HydrophobicContact CB-CD1 4.2Å; H311-F478 HydrophobicContact CB-CE1 3.44Å; H311-F478 VanDerWaalsContact CB-CE1 3.44Å; H311-F478 HydrophobicContact CB-CZ 3.71Å; H311-F478 AromaticContact CD2-CE1 3.98Å; H311-F478 AromaticContact CG-CE1 3.35Å; H311-F478 AromaticContact ND1-CD1 3.66Å; H311-F478 AromaticContact ND1-CE1 3.4Å; H311-F478 WeakPolarHBondContact ND1-CE1 3.36Å; H474-F478 AromaticContact CE1-CD2 3.17Å; H474-F478 WeakPolarHBondContact CE1-CD2 3.29Å; H474-F478 AromaticContact CE1-CE2 3.84Å; H474-F478 AromaticContact CE1-CG 3.42Å; H474-F478 VanDerWaalsContact CE1-CG 3.42Å; H474-F478 WeakPolarHBondContact CE1-CG 3.48Å; H474-F478 AromaticContact CG-CD2 3.99Å; H474-F478 AromaticContact ND1-CD2 3.26Å; H474-F478 VanDerWaalsContact ND1-CD2 3.26Å; H474-F478 WeakPolarHBondContact ND1-CD2 3.36Å; H474-F478 AromaticContact ND1-CE2 3.77Å; H474-F478 AromaticContact ND1-CG 3.99Å; H474-F478 AromaticContact NE2-CD2 3.87Å; H474-F478 AromaticContact NE2-CG 3.82Å; H474-F478 PolarHBondContact O-N 3.12Å; F478-M484 HydrophobicContact CB-CG 4.26Å; F478-F485 HydrophobicContact CB-CB 4.35Å; F478-F485 HydrophobicContact CD1-CB 4.04Å; F478-F485 PolarHBondContact O-N 3.12Å; F478-F485 VanDerWaalsContact O-N 3.08Å; F478-T487 HydrophobicContact CD1-CG2 4.1Å; F478-T487 HydrophobicContact CE1-CG2 3.87Å; F478-K489 HydrophobicContact CE2-CD 3.75Å; F478-K489 HydrophobicContact CZ-CD 3.6Å; F478-K489 HydrophobicContact CZ-CG 4.37Å
479G89.4Confident92.1Very high7 Ų751.4 Ų51.47%0.07225%0.25CC..  trans91.1175-174.800000113.4F475 M484F475-G479 WeakPolarHBondContact CA-O 3.44Å; F475-G479 CarbonylContact O-C 3.23Å; F475-G479 WeakPolarHBondContact O-CA 3.23Å; F475-G479 PolarHBondContact O-N 3.29Å; G479-M484 VanDerWaalsContact O-CG 3.31Å; G479-M484 WeakPolarHBondContact O-CG 3.38Å
480R90.8Very high92.1Very high114 Ų11443 Ų4343%0.4322%0.218SC..SBendtrans-136.6147.4180-176.8174.2175.5-1743.2108.4F475 E505F475-R480 HydrophobicContact CB-CB 4.15Å; F475-R480 HydrophobicContact CD1-CB 3.74Å; F475-R480 HydrophobicContact CD1-CG 3.84Å; F475-R480 HydrophobicContact CD2-CG 4.48Å; F475-R480 HydrophobicContact CE1-CB 4.35Å; F475-R480 HydrophobicContact CE1-CG 3.98Å; F475-R480 HydrophobicContact CG-CB 3.99Å; F475-R480 HydrophobicContact CG-CG 4.11Å; F475-R480 HydrophobicContact CZ-CG 4.36Å; R480-E505 IonicContact CZ-OE1 2.78Å; R480-E505 IonicContact CZ-OE2 3.53Å; R480-E505 IonicContact NE-OE1 3.95Å; R480-E505 PolarHBondContact NE-OE1 3.41Å; R480-E505 IonicContact NE-OE2 2.94Å; R480-E505 IonicContact NH2-OE1 3.84Å; R480-E505 PolarHBondContact NH2-OE1 2.86Å; R480-E505 IonicContact NH2-OE2 3.35Å; R480-E505 PolarHBondContact NH2-OE2 3.31Å
481G90.9Very high92Very high19 Ų1941.7 Ų41.720%0.19621%0.21CC..SBendtrans93.5-172.9-172.600000112.8H483 M484 T509G481-H483 VanDerWaalsContact C-N 3.28Å; G481-H483 PolarHBondContact O-N 2.71Å; G481-M484 VanDerWaalsContact O-CB 3.23Å; G481-M484 WeakPolarHBondContact O-CB 3.46Å; G481-M484 PolarHBondContact O-N 3.07Å; G481-M484 VanDerWaalsContact O-N 3.12Å; G481-T509 WeakPolarHBondContact O-CG2 3.45Å
482V91.4Very high91.9Very high2 Ų247.9 Ų47.91%0.01224%0.237CC..THydrogen-bonded Turntrans-63.6-35.9-168.8-1780000112L340 P342 M484 T509 D512L340-V482 HydrophobicContact CD2-CG1 3.91Å; L340-V482 HydrophobicContact CG-CG1 4.08Å; L340-V482 CarbonylContact O-C 3.52Å; P342-V482 HydrophobicContact CG-CB 4.05Å; P342-V482 HydrophobicContact CG-CG1 3.7Å; V482-M484 PolarHBondContact O-N 2.95Å; V482-T509 HydrophobicContact CG2-CG2 4.39Å; V482-D512 HydrophobicContact CG1-CB 4.13Å; V482-D512 HydrophobicContact CG2-CB 4.43Å; V482-D512 WeakPolarHBondContact CG2-OD1 3.4Å
483H91.9Very high91.9Very high9 Ų944.7 Ų44.74%0.04222%0.22CC..THydrogen-bonded Turntrans-8116.5178.263.1-93.7000114.7L339 L340 I341 E345 F372 G481L339-H483 WeakPolarHBondContact CD1-O 3.49Å; L340-H483 WeakPolarHBondContact O-CA 3.3Å; L340-H483 PolarHBondContact O-N 3.44Å; I341-H483 HydrophobicContact CG1-CB 4.33Å; E345-H483 IonicContact OE2-CE1 3.66Å; E345-H483 IonicContact OE2-CG 2.92Å; E345-H483 IonicContact OE2-ND1 2.7Å; E345-H483 PolarHBondContact OE2-ND1 3.26Å; F372-H483 HydrophobicContact CE2-CB 4.2Å; F372-H483 HydrophobicContact CZ-CB 3.98Å; F372-H483 AromaticContact CZ-CD2 3.85Å; F372-H483 WeakPolarHBondContact CZ-O 3.45Å; G481-H483 VanDerWaalsContact C-N 3.28Å; G481-H483 PolarHBondContact O-N 2.71Å
484M92.9Very high92Very high1 Ų139.5 Ų39.51%0.00519%0.192CC..SBendtrans-66.7142.2171.1174172.255.600111.1F475 F478 G479 G481 V482 R486 I490 F510F475-M484 HydrophobicContact CD1-SD 4.21Å; F475-M484 HydrophobicContact CE1-SD 4.31Å; F478-M484 HydrophobicContact CB-CG 4.26Å; G479-M484 VanDerWaalsContact O-CG 3.31Å; G479-M484 WeakPolarHBondContact O-CG 3.38Å; G481-M484 VanDerWaalsContact O-CB 3.23Å; G481-M484 WeakPolarHBondContact O-CB 3.46Å; G481-M484 PolarHBondContact O-N 3.07Å; G481-M484 VanDerWaalsContact O-N 3.12Å; V482-M484 PolarHBondContact O-N 2.95Å; M484-R486 PolarHBondContact O-N 2.92Å; M484-I490 HydrophobicContact CE-CD1 3.3Å; M484-I490 HydrophobicContact SD-CD1 3.89Å; M484-F510 HydrophobicContact CE-CE1 3.73Å; M484-F510 HydrophobicContact CE-CZ 4.48Å
485F92.9Very high91.9Very high10 Ų1039.1 Ų39.14%0.04419%0.191CC..  trans-70114.9172.7-72.2-78.2000110.6V307 T309 P310 L339 F372 F478V307-F485 HydrophobicContact CG1-CE1 4.16Å; T309-F485 HydrophobicContact CG2-CD1 4.19Å; T309-F485 HydrophobicContact CG2-CE1 3.87Å; P310-F485 HydrophobicContact CG-CE2 3.84Å; P310-F485 HydrophobicContact CG-CZ 4.46Å; L339-F485 HydrophobicContact CB-CD1 4.45Å; L339-F485 HydrophobicContact CD1-CD1 4.35Å; L339-F485 HydrophobicContact CD1-CE1 4.39Å; L339-F485 HydrophobicContact CD2-CE1 3.94Å; L339-F485 HydrophobicContact CD2-CZ 4.41Å; F372-F485 HydrophobicContact CD1-CE2 4.34Å; F372-F485 AromaticContact CD1-CZ 3.84Å; F372-F485 HydrophobicContact CD1-CZ 3.84Å; F372-F485 HydrophobicContact CE1-CE1 4.42Å; F372-F485 AromaticContact CE1-CE2 3.78Å; F372-F485 HydrophobicContact CE1-CE2 3.78Å; F372-F485 AromaticContact CE1-CZ 3.66Å; F372-F485 HydrophobicContact CE1-CZ 3.66Å; F478-F485 HydrophobicContact CB-CB 4.35Å; F478-F485 HydrophobicContact CD1-CB 4.04Å; F478-F485 PolarHBondContact O-N 3.12Å; F478-F485 VanDerWaalsContact O-N 3.08Å
486R93.3Very high91.8Very high8 Ų841.8 Ų41.83%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-91.2116.9178.6-59.4176.9-178.7172.6-3.4109.3C337 T338 M484 F510 F682C337-R486 CarbonylContact C-O 3.57Å; C337-R486 VanDerWaalsContact CA-O 3.31Å; C337-R486 WeakPolarHBondContact CA-O 3.31Å; T338-R486 PolarHBondContact N-O 2.96Å; T338-R486 PolarHBondContact O-N 3.2Å; T338-R486 WeakPolarHBondContact OG1-CB 3.18Å; M484-R486 PolarHBondContact O-N 2.92Å; R486-F510 PolarHBondContact NH2-O 3.47Å; R486-F682 HydrophobicContact CB-CE2 4.06Å; R486-F682 HydrophobicContact CB-CZ 4.21Å; R486-F682 HydrophobicContact CG-CE2 4.01Å
487T92.5Very high91.9Very high10 Ų1036 Ų366%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-133.8176.5-174.563.20000111.5S336 C337 F478 K489 I490 Q491S336-T487 WeakPolarHBondContact O-CA 3.33Å; C337-T487 HydrophobicContact CB-CG2 4.48Å; F478-T487 HydrophobicContact CD1-CG2 4.1Å; F478-T487 HydrophobicContact CE1-CG2 3.87Å; T487-K489 PolarHBondContact O-N 2.59Å; T487-K489 PolarHBondContact OG1-N 3.25Å; T487-I490 VanDerWaalsContact N-CG2 3.33Å; T487-I490 WeakPolarHBondContact O-CG2 3.15Å; T487-I490 PolarHBondContact O-N 2.86Å; T487-Q491 PolarHBondContact O-N 3.41Å
488E89.5Confident92.2Very high104 Ų10432 Ų3249%0.48615%0.15SC..Hα-helixtrans-58.3-28.1172.5-64.5-173.517600113.5Q491 K492E488-Q491 WeakPolarHBondContact O-CB 3.47Å; E488-Q491 PolarHBondContact O-N 3.29Å; E488-K492 WeakPolarHBondContact O-CG 3.37Å; E488-K492 PolarHBondContact O-N 3Å
489K90.4Very high92.4Very high105 Ų10531.6 Ų31.646%0.45715%0.149SC..Hα-helixtrans-63.6-47.6179.2-70.5-164.4-167.4170.50111.5E477 F478 T487 Q491 K492 L493E477-K489 VanDerWaalsContact CD-NZ 3.32Å; E477-K489 IonicContact OE1-NZ 3.88Å; E477-K489 PolarHBondContact OE1-NZ 3.43Å; E477-K489 IonicContact OE2-NZ 2.83Å; E477-K489 PolarHBondContact OE2-NZ 3.23Å; F478-K489 HydrophobicContact CE2-CD 3.75Å; F478-K489 HydrophobicContact CZ-CD 3.6Å; F478-K489 HydrophobicContact CZ-CG 4.37Å; T487-K489 PolarHBondContact O-N 2.59Å; T487-K489 PolarHBondContact OG1-N 3.25Å; K489-Q491 VanDerWaalsContact C-N 3.31Å; K489-K492 PolarHBondContact O-N 3.46Å; K489-L493 PolarHBondContact O-N 2.84Å; K489-L493 VanDerWaalsContact O-N 3.12Å
490I93.7Very high92.4Very high0 Ų034.2 Ų34.20%016%0.159CC..Hα-helixtrans-68.4-33176.5-175.9168.2000111.4W471 M484 T487 K492 L493 V494 F510 F682W471-I490 HydrophobicContact CH2-CD1 3.96Å; W471-I490 HydrophobicContact CH2-CG1 3.72Å; W471-I490 HydrophobicContact CZ3-CD1 3.83Å; W471-I490 HydrophobicContact CZ3-CG1 3.97Å; M484-I490 HydrophobicContact CE-CD1 3.3Å; M484-I490 HydrophobicContact SD-CD1 3.89Å; T487-I490 VanDerWaalsContact N-CG2 3.33Å; T487-I490 WeakPolarHBondContact O-CG2 3.15Å; T487-I490 PolarHBondContact O-N 2.86Å; I490-K492 VanDerWaalsContact C-N 3.26Å; I490-K492 PolarHBondContact O-N 3.09Å; I490-L493 PolarHBondContact O-N 3.1Å; I490-L493 VanDerWaalsContact O-N 3.13Å; I490-V494 HydrophobicContact CG1-CG2 4.14Å; I490-V494 VanDerWaalsContact O-CG2 3.32Å; I490-V494 WeakPolarHBondContact O-CG2 3.32Å; I490-V494 PolarHBondContact O-N 3.48Å; I490-F510 HydrophobicContact CD1-CE1 3.78Å; I490-F510 HydrophobicContact CD1-CZ 3.8Å; I490-F510 HydrophobicContact CG1-CZ 4.46Å; I490-F682 HydrophobicContact CB-CZ 4.45Å; I490-F682 HydrophobicContact CD1-CD2 4.48Å; I490-F682 HydrophobicContact CD1-CE2 4.03Å; I490-F682 HydrophobicContact CG1-CE2 4.09Å; I490-F682 HydrophobicContact CG1-CZ 4.4Å; I490-F682 HydrophobicContact CG2-CE1 4.41Å; I490-F682 HydrophobicContact CG2-CE2 3.77Å; I490-F682 HydrophobicContact CG2-CZ 3.5Å; I490-F682 VanDerWaalsContact CG2-CZ 3.5Å
491Q92.4Very high92.4Very high45 Ų4532.3 Ų32.321%0.2116%0.163CC..Hα-helixtrans-57.6-41.9174-165.7-173.931.700111.4T487 E488 K489 V494 A495 F682 L765T487-Q491 PolarHBondContact O-N 3.41Å; E488-Q491 WeakPolarHBondContact O-CB 3.47Å; E488-Q491 PolarHBondContact O-N 3.29Å; K489-Q491 VanDerWaalsContact C-N 3.31Å; Q491-V494 PolarHBondContact O-N 2.85Å; Q491-A495 WeakPolarHBondContact O-CB 3.5Å; Q491-A495 PolarHBondContact O-N 2.82Å; Q491-F682 HydrophobicContact CB-CE1 3.81Å; Q491-F682 HydrophobicContact CG-CE1 4.03Å; Q491-L765 HydrophobicContact CG-CD1 4.1Å
492K92.4Very high92.6Very high132 Ų13232.5 Ų32.557%0.57416%0.159SC*.Hα-helixtrans-67.5-39.8174.6-68.3173.1-175.9174.80112.5E488 K489 I490 V494 A495 M496E488-K492 WeakPolarHBondContact O-CG 3.37Å; E488-K492 PolarHBondContact O-N 3Å; K489-K492 PolarHBondContact O-N 3.46Å; I490-K492 VanDerWaalsContact C-N 3.26Å; I490-K492 PolarHBondContact O-N 3.09Å; K492-V494 VanDerWaalsContact C-N 3.35Å; K492-A495 PolarHBondContact O-N 3.25Å; K492-M496 WeakPolarHBondContact O-CG 3.42Å; K492-M496 PolarHBondContact O-N 3.45Å; K492-M496 VanDerWaalsContact O-N 3.08Å
493L95.1Very high92.8Very high20 Ų2032.6 Ų32.611%0.10516%0.16CC..Hα-helixtrans-61.5-43.6175.1-68.5176.4000111.8L470 W471 H474 K489 I490 M496L470-L493 HydrophobicContact CB-CD2 3.8Å; L470-L493 HydrophobicContact CD1-CD2 4.34Å; W471-L493 HydrophobicContact CD2-CD1 4.44Å; W471-L493 HydrophobicContact CH2-CB 4.36Å; W471-L493 HydrophobicContact CZ2-CB 3.81Å; H474-L493 HydrophobicContact CB-CD1 3.62Å; K489-L493 PolarHBondContact O-N 2.84Å; K489-L493 VanDerWaalsContact O-N 3.12Å; I490-L493 PolarHBondContact O-N 3.1Å; I490-L493 VanDerWaalsContact O-N 3.13Å; L493-M496 HydrophobicContact CD2-CE 3.68Å; L493-M496 PolarHBondContact O-N 2.86Å
494V95.7Very high92.9Very high0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-65.4-40.3176.21740000110.9W471 I490 Q491 K492 M496 G497 I498 F510 D678 C679 F682W471-V494 HydrophobicContact CH2-CG2 3.8Å; W471-V494 HydrophobicContact CZ2-CG2 3.95Å; I490-V494 HydrophobicContact CG1-CG2 4.14Å; I490-V494 VanDerWaalsContact O-CG2 3.32Å; I490-V494 WeakPolarHBondContact O-CG2 3.32Å; I490-V494 PolarHBondContact O-N 3.48Å; Q491-V494 PolarHBondContact O-N 2.85Å; K492-V494 VanDerWaalsContact C-N 3.35Å; V494-M496 VanDerWaalsContact C-N 3.26Å; V494-M496 PolarHBondContact O-N 3.36Å; V494-G497 WeakPolarHBondContact O-CA 3.45Å; V494-G497 PolarHBondContact O-N 2.97Å; V494-I498 HydrophobicContact CG2-CD1 4.45Å; V494-I498 HydrophobicContact CG2-CG1 4.49Å; V494-F510 HydrophobicContact CG2-CE2 4.17Å; V494-F510 HydrophobicContact CG2-CZ 4.24Å; V494-D678 HydrophobicContact CG1-CB 4.08Å; V494-D678 WeakPolarHBondContact CG1-O 3.41Å; V494-C679 HydrophobicContact CG1-CB 4.47Å; V494-F682 HydrophobicContact CB-CD1 4.43Å; V494-F682 HydrophobicContact CG1-CB 4.01Å; V494-F682 HydrophobicContact CG1-CG 4.48Å; V494-F682 HydrophobicContact CG2-CB 4.14Å; V494-F682 HydrophobicContact CG2-CD1 4.24Å; V494-F682 HydrophobicContact CG2-CD2 4.42Å; V494-F682 HydrophobicContact CG2-CG 4Å
495A92.7Very high93Very high2 Ų235.6 Ų35.62%0.01718%0.175CC..Hα-helixtrans-63.7-29.3176.800000113.5Q491 K492 G497 I761 L765Q491-A495 WeakPolarHBondContact O-CB 3.5Å; Q491-A495 PolarHBondContact O-N 2.82Å; K492-A495 PolarHBondContact O-N 3.25Å; A495-G497 PolarHBondContact O-N 3.21Å; A495-I761 HydrophobicContact CB-CG2 3.74Å; A495-L765 HydrophobicContact CB-CD1 4.01Å
496M91.1Very high93.2Very high75 Ų7535.2 Ų35.237%0.36917%0.173SC..THydrogen-bonded Turntrans-77-3.2172.2-69.4-174.9-69.700113.8K467 L470 K492 L493 V494 T758K467-M496 WeakPolarHBondContact CE-O 3.27Å; L470-M496 HydrophobicContact CD1-CE 4.46Å; K492-M496 WeakPolarHBondContact O-CG 3.42Å; K492-M496 PolarHBondContact O-N 3.45Å; K492-M496 VanDerWaalsContact O-N 3.08Å; L493-M496 HydrophobicContact CD2-CE 3.68Å; L493-M496 PolarHBondContact O-N 2.86Å; V494-M496 VanDerWaalsContact C-N 3.26Å; V494-M496 PolarHBondContact O-N 3.36Å; M496-T758 HydrophobicContact CG-CG2 4.16Å
497G92.1Very high93.4Very high1 Ų134.9 Ų34.91%0.0117%0.172CC..  trans87.8135.8-175.800000112.9V494 A495V494-G497 WeakPolarHBondContact O-CA 3.45Å; V494-G497 PolarHBondContact O-N 2.97Å; A495-G497 PolarHBondContact O-N 3.21Å
498I95.1Very high93.6Very high0 Ų034.9 Ų34.90%017%0.172CC..  trans-77.2138.8175.8-61.3176.9000109.1W471 V494 E500 L502 R503 L506 F510 D678W471-I498 HydrophobicContact CZ2-CG1 3.86Å; V494-I498 HydrophobicContact CG2-CD1 4.45Å; V494-I498 HydrophobicContact CG2-CG1 4.49Å; I498-E500 PolarHBondContact O-N 2.93Å; I498-L502 HydrophobicContact CG2-CB 4.01Å; I498-R503 HydrophobicContact CB-CG 3.98Å; I498-R503 HydrophobicContact CG2-CG 3.82Å; I498-R503 VanDerWaalsContact O-CZ 3.31Å; I498-R503 PolarHBondContact O-NE 3.15Å; I498-R503 PolarHBondContact O-NH2 3.32Å; I498-L506 HydrophobicContact CD1-CB 4.22Å; I498-L506 HydrophobicContact CD1-CD1 4.21Å; I498-L506 HydrophobicContact CG1-CD1 4.46Å; I498-L506 HydrophobicContact CG2-CD1 3.55Å; I498-F510 HydrophobicContact CD1-CE2 3.9Å; I498-D678 WeakPolarHBondContact CB-OD2 3.16Å; I498-D678 HydrophobicContact CD1-CB 3.73Å; I498-D678 HydrophobicContact CG1-CB 3.89Å; I498-D678 PolarHBondContact N-OD2 3.19Å
499P93.9Very high93.9Very high0 Ų030.5 Ų30.50%015%0.152CC..  trans-54.2137.6170.1-25.131.8000112.1E464 K467 E468 W471 S501 L502 R503E464-P499 VanDerWaalsContact OE1-C 3.28Å; E464-P499 WeakPolarHBondContact OE1-CA 3.42Å; K467-P499 HydrophobicContact CB-CG 3.67Å; E468-P499 HydrophobicContact CG-CB 3.82Å; E468-P499 HydrophobicContact CG-CG 3.97Å; W471-P499 VanDerWaalsContact NE1-CD 3.3Å; P499-S501 PolarHBondContact O-N 2.87Å; P499-S501 VanDerWaalsContact O-N 3.13Å; P499-L502 HydrophobicContact CB-CB 4.4Å; P499-L502 HydrophobicContact CB-CD1 4.35Å; P499-L502 HydrophobicContact CB-CG 4.27Å; P499-L502 HydrophobicContact CG-CD1 4.02Å; P499-L502 HydrophobicContact CG-CG 4.48Å; P499-L502 PolarHBondContact O-N 3.24Å; P499-R503 PolarHBondContact O-N 3.08Å; P499-R503 VanDerWaalsContact O-N 3.12Å
500E90.1Very high94.1Very high61 Ų6125.6 Ų25.629%0.28513%0.13SC..Hα-helixtrans-50.8-40.2178.9-46.7-142.7114.300111.6E464 I498 L502 R503 Y595E464-E500 VanDerWaalsContact OE1-CG 3.27Å; E464-E500 WeakPolarHBondContact OE1-CG 3.4Å; E464-E500 PolarHBondContact OE1-N 3.39Å; I498-E500 PolarHBondContact O-N 2.93Å; E500-L502 PolarHBondContact O-N 3.15Å; E500-R503 VanDerWaalsContact CG-NH1 3.35Å; E500-R503 PolarHBondContact O-N 3.48Å; E500-R503 IonicContact OE1-NH1 3.68Å; E500-R503 PolarHBondContact OE1-NH1 2.95Å; E500-Y595 HydrophobicContact CB-CE1 4.44Å
501S90.1Very high94.2Very high75 Ų7525.6 Ų25.652%0.52413%0.131SC..Hα-helixtrans-64.6-24.6179600000113.7E468 P499E468-S501 PolarHBondContact OE1-OG 3.45Å; P499-S501 PolarHBondContact O-N 2.87Å; P499-S501 VanDerWaalsContact O-N 3.13Å
502L94.7Very high94.2Very high22 Ų2223.5 Ų23.512%0.11512%0.121CC..Hα-helixtrans-104.8-12.8-176.5-62.2-178.2000113.7W471 F475 I498 P499 E500 G504 E505 L506W471-L502 HydrophobicContact CB-CD1 3.69Å; W471-L502 HydrophobicContact CG-CD1 3.89Å; F475-L502 HydrophobicContact CE2-CD1 4.3Å; I498-L502 HydrophobicContact CG2-CB 4.01Å; P499-L502 HydrophobicContact CB-CB 4.4Å; P499-L502 HydrophobicContact CB-CD1 4.35Å; P499-L502 HydrophobicContact CB-CG 4.27Å; P499-L502 HydrophobicContact CG-CD1 4.02Å; P499-L502 HydrophobicContact CG-CG 4.48Å; P499-L502 PolarHBondContact O-N 3.24Å; E500-L502 PolarHBondContact O-N 3.15Å; L502-G504 PolarHBondContact O-N 3.1Å; L502-E505 PolarHBondContact O-N 3.38Å; L502-L506 HydrophobicContact CB-CD1 3.87Å; L502-L506 HydrophobicContact CB-CG 4.37Å; L502-L506 WeakPolarHBondContact O-CB 3.44Å; L502-L506 WeakPolarHBondContact O-CG 3.42Å; L502-L506 PolarHBondContact O-N 3.46Å
503R95.6Very high94.3Very high5 Ų517.2 Ų17.22%0.0199%0.093CC..Hα-helixtrans-56.4-53.6-174.3-77.3-173.9-168.1119.711.5113.1I498 P499 E500 E505 L506 W507 Y595 V674 D678I498-R503 HydrophobicContact CB-CG 3.98Å; I498-R503 HydrophobicContact CG2-CG 3.82Å; I498-R503 VanDerWaalsContact O-CZ 3.31Å; I498-R503 PolarHBondContact O-NE 3.15Å; I498-R503 PolarHBondContact O-NH2 3.32Å; P499-R503 PolarHBondContact O-N 3.08Å; P499-R503 VanDerWaalsContact O-N 3.12Å; E500-R503 VanDerWaalsContact CG-NH1 3.35Å; E500-R503 PolarHBondContact O-N 3.48Å; E500-R503 IonicContact OE1-NH1 3.68Å; E500-R503 PolarHBondContact OE1-NH1 2.95Å; R503-E505 VanDerWaalsContact C-N 3.31Å; R503-E505 PolarHBondContact O-N 2.91Å; R503-L506 PolarHBondContact O-N 2.98Å; R503-W507 HydrophobicContact CB-CD2 4.43Å; R503-W507 HydrophobicContact CB-CZ2 4.21Å; R503-W507 HydrophobicContact CG-CZ2 4.25Å; R503-W507 WeakPolarHBondContact O-CB 3.49Å; R503-W507 PolarHBondContact O-N 3.39Å; R503-Y595 HydrophobicContact CB-CD1 4.19Å; R503-Y595 HydrophobicContact CB-CG 4.15Å; R503-Y595 PolarHBondContact NH1-OH 3.06Å; R503-V674 VanDerWaalsContact NE-CG1 3.35Å; R503-D678 IonicContact NE-OD1 2.64Å; R503-D678 IonicContact NE-OD2 3.3Å
504G94.8Very high94.1Very high5 Ų517.7 Ų17.75%0.05210%0.098CC..Hα-helixtrans-55.2-46.1-179.300000112.6L502 M508 Y595L502-G504 PolarHBondContact O-N 3.1Å; G504-M508 WeakPolarHBondContact O-CB 3.47Å; G504-M508 WeakPolarHBondContact O-CG 3.21Å; G504-M508 PolarHBondContact O-N 3.29Å; G504-Y595 VanDerWaalsContact CA-O 3.27Å; G504-Y595 WeakPolarHBondContact CA-O 3.47Å
505E95.1Very high93.7Very high68 Ų6818.6 Ų18.632%0.31810%0.104SC..Hα-helixtrans-66.3-46.5178.1-177.6-170.5151.500112.7R480 L502 R503 M508 T509R480-E505 IonicContact CZ-OE1 2.78Å; R480-E505 IonicContact CZ-OE2 3.53Å; R480-E505 IonicContact NE-OE1 3.95Å; R480-E505 PolarHBondContact NE-OE1 3.41Å; R480-E505 IonicContact NE-OE2 2.94Å; R480-E505 IonicContact NH2-OE1 3.84Å; R480-E505 PolarHBondContact NH2-OE1 2.86Å; R480-E505 IonicContact NH2-OE2 3.35Å; R480-E505 PolarHBondContact NH2-OE2 3.31Å; L502-E505 PolarHBondContact O-N 3.38Å; R503-E505 VanDerWaalsContact C-N 3.31Å; R503-E505 PolarHBondContact O-N 2.91Å; E505-M508 PolarHBondContact O-N 3.42Å; E505-T509 WeakPolarHBondContact O-CB 3.11Å; E505-T509 PolarHBondContact O-N 3.34Å; E505-T509 PolarHBondContact O-OG1 3.43Å
506L97.2Very high93.4Very high2 Ų220 Ų201%0.0111%0.111CC..Hα-helixtrans-72.2-35.6-175.9-75.1174.5000111.9W471 F475 I498 L502 R503 T509 F510W471-L506 HydrophobicContact CD2-CD1 4.09Å; W471-L506 HydrophobicContact CE3-CD1 3.83Å; W471-L506 HydrophobicContact CH2-CD1 3.81Å; W471-L506 HydrophobicContact CZ2-CD1 4.07Å; W471-L506 HydrophobicContact CZ3-CD1 3.68Å; W471-L506 HydrophobicContact CZ3-CD2 4.1Å; F475-L506 HydrophobicContact CE1-CD2 4.11Å; F475-L506 HydrophobicContact CZ-CD2 4.06Å; I498-L506 HydrophobicContact CD1-CB 4.22Å; I498-L506 HydrophobicContact CD1-CD1 4.21Å; I498-L506 HydrophobicContact CG1-CD1 4.46Å; I498-L506 HydrophobicContact CG2-CD1 3.55Å; L502-L506 HydrophobicContact CB-CD1 3.87Å; L502-L506 HydrophobicContact CB-CG 4.37Å; L502-L506 WeakPolarHBondContact O-CB 3.44Å; L502-L506 WeakPolarHBondContact O-CG 3.42Å; L502-L506 PolarHBondContact O-N 3.46Å; R503-L506 PolarHBondContact O-N 2.98Å; L506-T509 PolarHBondContact O-N 3.4Å; L506-F510 HydrophobicContact CB-CD2 4.38Å; L506-F510 HydrophobicContact CB-CE2 3.98Å; L506-F510 HydrophobicContact CB-CZ 4.37Å; L506-F510 HydrophobicContact CD2-CE1 4.44Å; L506-F510 HydrophobicContact CD2-CZ 4.08Å; L506-F510 WeakPolarHBondContact O-CB 3.38Å; L506-F510 VanDerWaalsContact O-CD2 3.23Å; L506-F510 WeakPolarHBondContact O-CD2 3.41Å; L506-F510 WeakPolarHBondContact O-CG 3.4Å; L506-F510 PolarHBondContact O-N 2.95Å
507W97.7Very high93.3Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-62.7-43.9172-66-4.5000111R503 T509 F510 S511 V591 L592 Y595 L604 V674 V677 D678 F681R503-W507 HydrophobicContact CB-CD2 4.43Å; R503-W507 HydrophobicContact CB-CZ2 4.21Å; R503-W507 HydrophobicContact CG-CZ2 4.25Å; R503-W507 WeakPolarHBondContact O-CB 3.49Å; R503-W507 PolarHBondContact O-N 3.39Å; W507-T509 VanDerWaalsContact C-N 3.29Å; W507-T509 PolarHBondContact O-N 2.99Å; W507-F510 PolarHBondContact O-N 2.84Å; W507-S511 WeakPolarHBondContact O-CB 3.31Å; W507-S511 PolarHBondContact O-N 2.82Å; W507-S511 VanDerWaalsContact O-N 3.07Å; W507-S511 PolarHBondContact O-OG 3.14Å; W507-V591 HydrophobicContact CH2-CG1 4.03Å; W507-V591 HydrophobicContact CZ3-CG1 4.43Å; W507-L592 HydrophobicContact CE3-CD2 3.9Å; W507-L592 HydrophobicContact CZ3-CD2 3.97Å; W507-Y595 AromaticContact CH2-CD2 3.46Å; W507-Y595 HydrophobicContact CH2-CD2 3.46Å; W507-Y595 VanDerWaalsContact CH2-CD2 3.46Å; W507-Y595 HydrophobicContact CH2-CE2 4.1Å; W507-Y595 HydrophobicContact CH2-CG 4.13Å; W507-Y595 HydrophobicContact CZ2-CD2 4.43Å; W507-Y595 AromaticContact CZ3-CD2 3.76Å; W507-Y595 HydrophobicContact CZ3-CD2 3.76Å; W507-Y595 HydrophobicContact CZ3-CG 4.23Å; W507-L604 HydrophobicContact CB-CD1 4.18Å; W507-L604 HydrophobicContact CB-CD2 4.01Å; W507-L604 HydrophobicContact CE3-CD1 4.36Å; W507-V674 HydrophobicContact CH2-CG1 4.33Å; W507-V674 HydrophobicContact CZ2-CG1 4.07Å; W507-V677 HydrophobicContact CH2-CG1 3.94Å; W507-V677 HydrophobicContact CZ2-CB 4.26Å; W507-V677 HydrophobicContact CZ2-CG1 3.67Å; W507-D678 WeakPolarHBondContact CZ2-OD1 3.44Å; W507-D678 PolarHBondContact NE1-OD1 3.05Å; W507-F681 HydrophobicContact CB-CD1 4.3Å; W507-F681 HydrophobicContact CB-CD2 3.88Å; W507-F681 HydrophobicContact CB-CE1 4.46Å; W507-F681 HydrophobicContact CB-CE2 4.04Å; W507-F681 HydrophobicContact CB-CG 4.02Å; W507-F681 HydrophobicContact CB-CZ 4.34Å; W507-F681 AromaticContact CD1-CD2 3.55Å; W507-F681 AromaticContact CD1-CG 3.98Å; W507-F681 AromaticContact CD2-CD2 3.71Å; W507-F681 HydrophobicContact CD2-CD2 3.71Å; W507-F681 AromaticContact CD2-CE2 3.68Å; W507-F681 HydrophobicContact CD2-CE2 3.68Å; W507-F681 AromaticContact CE2-CD2 3.97Å; W507-F681 HydrophobicContact CE3-CD2 4.43Å; W507-F681 AromaticContact CE3-CE2 3.94Å; W507-F681 HydrophobicContact CE3-CE2 3.94Å; W507-F681 HydrophobicContact CG-CB 4.44Å; W507-F681 AromaticContact CG-CD2 3.42Å; W507-F681 HydrophobicContact CG-CD2 3.42Å; W507-F681 VanDerWaalsContact CG-CD2 3.42Å; W507-F681 AromaticContact CG-CE2 3.75Å; W507-F681 HydrophobicContact CG-CE2 3.75Å; W507-F681 AromaticContact CG-CG 3.95Å; W507-F681 HydrophobicContact CG-CG 3.95Å; W507-F681 AromaticContact NE1-CD2 3.88Å
508M96.6Very high93Very high11 Ų1122.8 Ų22.85%0.05413%0.127CC..Hα-helixtrans-60.7-39.8173.5-72.7-66.7-74.800111.6G504 E505 S511 D512 A513 C514 L517 E600 L604G504-M508 WeakPolarHBondContact O-CB 3.47Å; G504-M508 WeakPolarHBondContact O-CG 3.21Å; G504-M508 PolarHBondContact O-N 3.29Å; E505-M508 PolarHBondContact O-N 3.42Å; M508-S511 PolarHBondContact O-OG 3.22Å; M508-D512 CarbonylContact O-C 3.43Å; M508-D512 VanDerWaalsContact O-CA 3.3Å; M508-D512 WeakPolarHBondContact O-CA 3.48Å; M508-D512 PolarHBondContact O-N 3.46Å; M508-A513 HydrophobicContact CE-CB 3.93Å; M508-A513 PolarHBondContact O-N 2.97Å; M508-A513 HydrophobicContact SD-CB 3.63Å; M508-C514 HydrophobicContact CB-CB 4.45Å; M508-C514 HydrophobicContact CE-CB 4.21Å; M508-L517 HydrophobicContact CE-CB 4.42Å; M508-L517 HydrophobicContact CE-CD1 3.98Å; M508-E600 HydrophobicContact CE-CB 4.2Å; M508-E600 HydrophobicContact CE-CG 4.18Å; M508-E600 HydrophobicContact CG-CB 4.41Å; M508-E600 HydrophobicContact SD-CB 4Å; M508-L604 HydrophobicContact CG-CD1 4.37Å; M508-L604 HydrophobicContact CG-CD2 4.2Å; M508-L604 HydrophobicContact CG-CG 4.32Å; M508-L604 HydrophobicContact SD-CD1 4.12Å; M508-L604 HydrophobicContact SD-CD2 3.68Å; M508-L604 HydrophobicContact SD-CG 3.55Å; M508-L604 VanDerWaalsContact SD-CG 3.55Å
509T94.9Very high92.4Very high11 Ų1125.5 Ų25.57%0.06715%0.146CC..Hα-helixtrans-72.1-42.1-179.5-62.10000113.1G481 V482 E505 L506 W507 D512G481-T509 WeakPolarHBondContact O-CG2 3.45Å; V482-T509 HydrophobicContact CG2-CG2 4.39Å; E505-T509 WeakPolarHBondContact O-CB 3.11Å; E505-T509 PolarHBondContact O-N 3.34Å; E505-T509 PolarHBondContact O-OG1 3.43Å; L506-T509 PolarHBondContact O-N 3.4Å; W507-T509 VanDerWaalsContact C-N 3.29Å; W507-T509 PolarHBondContact O-N 2.99Å; T509-D512 PolarHBondContact O-N 3.44Å
510F95.7Very high92Very high2 Ų229.3 Ų29.31%0.00916%0.164CC..Hα-helixtrans-74.5-34.1-177.7-65.9-33.9000112.8W471 M484 R486 I490 V494 I498 L506 W507 F681 F682W471-F510 HydrophobicContact CH2-CZ 4.01Å; W471-F510 HydrophobicContact CZ3-CZ 4.39Å; M484-F510 HydrophobicContact CE-CE1 3.73Å; M484-F510 HydrophobicContact CE-CZ 4.48Å; R486-F510 PolarHBondContact NH2-O 3.47Å; I490-F510 HydrophobicContact CD1-CE1 3.78Å; I490-F510 HydrophobicContact CD1-CZ 3.8Å; I490-F510 HydrophobicContact CG1-CZ 4.46Å; V494-F510 HydrophobicContact CG2-CE2 4.17Å; V494-F510 HydrophobicContact CG2-CZ 4.24Å; I498-F510 HydrophobicContact CD1-CE2 3.9Å; L506-F510 HydrophobicContact CB-CD2 4.38Å; L506-F510 HydrophobicContact CB-CE2 3.98Å; L506-F510 HydrophobicContact CB-CZ 4.37Å; L506-F510 HydrophobicContact CD2-CE1 4.44Å; L506-F510 HydrophobicContact CD2-CZ 4.08Å; L506-F510 WeakPolarHBondContact O-CB 3.38Å; L506-F510 VanDerWaalsContact O-CD2 3.23Å; L506-F510 WeakPolarHBondContact O-CD2 3.41Å; L506-F510 WeakPolarHBondContact O-CG 3.4Å; L506-F510 PolarHBondContact O-N 2.95Å; W507-F510 PolarHBondContact O-N 2.84Å; F510-F681 HydrophobicContact CB-CB 4.24Å; F510-F681 VanDerWaalsContact CB-O 3.3Å; F510-F681 WeakPolarHBondContact CB-O 3.3Å; F510-F681 HydrophobicContact CD2-CB 4.35Å; F510-F682 AromaticContact CD1-CD2 3.91Å; F510-F682 HydrophobicContact CD1-CD2 3.91Å; F510-F682 HydrophobicContact CD2-CB 4Å; F510-F682 HydrophobicContact CD2-CD2 4.36Å; F510-F682 AromaticContact CE1-CD2 3.69Å; F510-F682 HydrophobicContact CE1-CD2 3.69Å; F510-F682 HydrophobicContact CE1-CE2 4.25Å; F510-F682 HydrophobicContact CE2-CB 4.1Å; F510-F682 HydrophobicContact CE2-CD2 4.16Å; F510-F682 HydrophobicContact CG-CB 4.43Å; F510-F682 HydrophobicContact CG-CD2 4.26Å; F510-F682 AromaticContact CZ-CD2 3.83Å; F510-F682 HydrophobicContact CZ-CD2 3.83Å
511S94.8Very high91.6Very high1 Ų132.8 Ų32.81%0.00718%0.18CC..Hα-helixtrans-78.8-19.8170.561.90000112.8W507 M508 A513 L604 R611W507-S511 WeakPolarHBondContact O-CB 3.31Å; W507-S511 PolarHBondContact O-N 2.82Å; W507-S511 VanDerWaalsContact O-N 3.07Å; W507-S511 PolarHBondContact O-OG 3.14Å; M508-S511 PolarHBondContact O-OG 3.22Å; S511-A513 PolarHBondContact O-N 3.08Å; S511-A513 WeakPolarHBondContact OG-CB 3.36Å; S511-A513 PolarHBondContact OG-N 2.97Å; S511-L604 WeakPolarHBondContact OG-CD2 3Å; S511-R611 PolarHBondContact O-NH1 2.85Å; S511-R611 PolarHBondContact O-NH2 3Å
512D93.4Very high91.4Very high0 Ų031.5 Ų31.50%018%0.178CC..THydrogen-bonded Turntrans59.626.7-167.9-173.449.9000113Y326 V482 M508 T509 C514 S515Y326-D512 WeakPolarHBondContact CE1-OD2 3.26Å; Y326-D512 VanDerWaalsContact CZ-OD2 3.23Å; Y326-D512 PolarHBondContact OH-OD2 3.48Å; V482-D512 HydrophobicContact CG1-CB 4.13Å; V482-D512 HydrophobicContact CG2-CB 4.43Å; V482-D512 WeakPolarHBondContact CG2-OD1 3.4Å; M508-D512 CarbonylContact O-C 3.43Å; M508-D512 VanDerWaalsContact O-CA 3.3Å; M508-D512 WeakPolarHBondContact O-CA 3.48Å; M508-D512 PolarHBondContact O-N 3.46Å; T509-D512 PolarHBondContact O-N 3.44Å; D512-C514 PolarHBondContact O-N 2.88Å; D512-S515 PolarHBondContact O-N 2.7Å; D512-S515 VanDerWaalsContact OD1-CB 3.22Å; D512-S515 WeakPolarHBondContact OD1-CB 3.42Å; D512-S515 PolarHBondContact OD1-OG 2.92Å
513A93.6Very high91.2Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-66.8-21.2173.100000112.3M508 S511 E516 L517 W603 L604 A607M508-A513 HydrophobicContact CE-CB 3.93Å; M508-A513 PolarHBondContact O-N 2.97Å; M508-A513 HydrophobicContact SD-CB 3.63Å; S511-A513 PolarHBondContact O-N 3.08Å; S511-A513 WeakPolarHBondContact OG-CB 3.36Å; S511-A513 PolarHBondContact OG-N 2.97Å; A513-E516 PolarHBondContact O-N 2.98Å; A513-L517 PolarHBondContact O-N 3.17Å; A513-W603 HydrophobicContact CB-CB 4.19Å; A513-L604 HydrophobicContact CB-CD2 4.16Å; A513-A607 HydrophobicContact CB-CB 4.3Å
514C90.8Very high91.1Very high31 Ų3133.8 Ų33.821%0.20919%0.186CC..Hα-helixtrans-62.3-41.4174.8520000112.7M508 D512 E516 L517 D518M508-C514 HydrophobicContact CB-CB 4.45Å; M508-C514 HydrophobicContact CE-CB 4.21Å; D512-C514 PolarHBondContact O-N 2.88Å; C514-E516 VanDerWaalsContact C-N 3.3Å; C514-E516 PolarHBondContact O-N 2.92Å; C514-L517 PolarHBondContact O-N 3.35Å; C514-D518 WeakPolarHBondContact O-CB 3.3Å; C514-D518 PolarHBondContact O-N 2.94Å
515S87.3Confident90.9Very high18 Ų1834.9 Ų34.913%0.12620%0.195CC..Hα-helixtrans-63.7-35.6176.7-66.10000112.5D512 S519D512-S515 PolarHBondContact O-N 2.7Å; D512-S515 VanDerWaalsContact OD1-CB 3.22Å; D512-S515 WeakPolarHBondContact OD1-CB 3.42Å; D512-S515 PolarHBondContact OD1-OG 2.92Å; S515-S519 WeakPolarHBondContact O-CB 3.27Å; S515-S519 PolarHBondContact O-N 3.14Å; S515-S519 PolarHBondContact O-OG 3.18Å
516E86.8Confident90.6Very high32 Ų3232.8 Ų32.815%0.1519%0.191CC..Hα-helixtrans-70.1-43.7176.6-64.6-169.579.500111.6A513 C514 S519 H520 W603 R611A513-E516 PolarHBondContact O-N 2.98Å; C514-E516 VanDerWaalsContact C-N 3.3Å; C514-E516 PolarHBondContact O-N 2.92Å; E516-S519 WeakPolarHBondContact CA-OG 3.41Å; E516-S519 PolarHBondContact O-N 3.45Å; E516-S519 PolarHBondContact O-OG 2.91Å; E516-H520 PolarHBondContact O-N 2.95Å; E516-H520 PolarHBondContact O-ND1 3.3Å; E516-W603 HydrophobicContact CB-CD2 4.5Å; E516-W603 HydrophobicContact CB-CE3 3.83Å; E516-W603 HydrophobicContact CB-CZ3 3.95Å; E516-R611 IonicContact OE2-CZ 2.76Å; E516-R611 IonicContact OE2-NE 2.72Å; E516-R611 IonicContact OE2-NH2 2.73Å; E516-R611 PolarHBondContact OE2-NH2 2.74Å
517L89.9Confident90.4Very high32 Ų3233.3 Ų33.317%0.16819%0.194CC..Hα-helixtrans-58.4-49174-174159.2000111.2M508 A513 C514 S519 H520 E599 E600 W603M508-L517 HydrophobicContact CE-CB 4.42Å; M508-L517 HydrophobicContact CE-CD1 3.98Å; A513-L517 PolarHBondContact O-N 3.17Å; C514-L517 PolarHBondContact O-N 3.35Å; L517-S519 PolarHBondContact O-N 2.92Å; L517-H520 CarbonylContact O-C 3.55Å; L517-H520 PolarHBondContact O-N 3.37Å; L517-E599 HydrophobicContact CD1-CG 4.2Å; L517-E600 HydrophobicContact CD1-CG 3.96Å; L517-W603 HydrophobicContact CB-CD2 4.48Å; L517-W603 HydrophobicContact CB-CG 4.05Å
518D84.9Confident90.1Very high102 Ų10233.4 Ų33.455%0.54520%0.195SC..Hα-helixtrans-62.9-30.7-178.5-80.4-17.2000113.2C514C514-D518 WeakPolarHBondContact O-CB 3.3Å; C514-D518 PolarHBondContact O-N 2.94Å
519S82.6Confident89.6Confident58 Ų5837 Ų3741%0.40621%0.211SC..Hα-helixtrans-81.3-14.117753.70000113.8S515 E516 L517S515-S519 WeakPolarHBondContact O-CB 3.27Å; S515-S519 PolarHBondContact O-N 3.14Å; S515-S519 PolarHBondContact O-OG 3.18Å; E516-S519 WeakPolarHBondContact CA-OG 3.41Å; E516-S519 PolarHBondContact O-N 3.45Å; E516-S519 PolarHBondContact O-OG 2.91Å; L517-S519 PolarHBondContact O-N 2.92Å
520H85.3Confident89.3Confident80 Ų8042.9 Ų42.937%0.3724%0.236SC..SBendtrans-127.847.1-174-63.190.2000113.3E516 L517 G522 Y523 W603E516-H520 PolarHBondContact O-N 2.95Å; E516-H520 PolarHBondContact O-ND1 3.3Å; L517-H520 CarbonylContact O-C 3.55Å; L517-H520 PolarHBondContact O-N 3.37Å; H520-G522 PolarHBondContact O-N 2.68Å; H520-Y523 HydrophobicContact CB-CG 4.28Å; H520-Y523 WeakPolarHBondContact O-CB 3.47Å; H520-Y523 PolarHBondContact O-N 3.25Å; H520-W603 HydrophobicContact CB-CH2 3.67Å; H520-W603 HydrophobicContact CB-CZ2 3.52Å; H520-W603 AromaticContact CG-CH2 3.75Å; H520-W603 AromaticContact ND1-CH2 3.86Å
521Q82.4Confident88.8Confident134 Ų13443.1 Ų43.163%0.62624%0.238SC*.THydrogen-bonded Turntrans-54.8125-180-68.6-171.2-12.800113.4Y523Q521-Y523 VanDerWaalsContact C-N 3.26Å; Q521-Y523 PolarHBondContact O-N 3.47Å
522G85.2Confident88.1Confident48 Ų4847.9 Ų47.950%0.49526%0.261SS..THydrogen-bonded Turntrans78.73.2179.200000114.6H520 G526H520-G522 PolarHBondContact O-N 2.68Å; G522-G526 PolarHBondContact O-N 2.99Å; G522-G526 VanDerWaalsContact O-N 3.13Å
523Y90.4Very high87Confident73 Ų7352.2 Ų52.229%0.28631%0.306SS..Hα-helixtrans-65.6-45.2-179.6179.2-107.4000112.4H520 Q521 G526 L527 R575 F602 W603H520-Y523 HydrophobicContact CB-CG 4.28Å; H520-Y523 WeakPolarHBondContact O-CB 3.47Å; H520-Y523 PolarHBondContact O-N 3.25Å; Q521-Y523 VanDerWaalsContact C-N 3.26Å; Q521-Y523 PolarHBondContact O-N 3.47Å; Y523-G526 PolarHBondContact O-N 3.44Å; Y523-L527 HydrophobicContact CD1-CD1 3.8Å; Y523-L527 HydrophobicContact CD1-CG 4.45Å; Y523-L527 HydrophobicContact CE1-CD1 3.3Å; Y523-L527 HydrophobicContact CE1-CG 4.12Å; Y523-L527 HydrophobicContact CE2-CD1 4.39Å; Y523-L527 HydrophobicContact CE2-CG 4.38Å; Y523-L527 WeakPolarHBondContact O-CG 3.45Å; Y523-L527 PolarHBondContact O-N 3Å; Y523-R575 PolarHBondContact OH-NH1 3.39Å; Y523-F602 HydrophobicContact CD1-CE1 4.34Å; Y523-F602 HydrophobicContact CE1-CE1 4.43Å; Y523-F602 HydrophobicContact CE1-CZ 4.33Å; Y523-W603 AromaticContact CD1-CH2 3.68Å; Y523-W603 HydrophobicContact CD1-CH2 3.68Å; Y523-W603 AromaticContact CD1-CZ2 3.64Å; Y523-W603 HydrophobicContact CD1-CZ2 3.64Å; Y523-W603 HydrophobicContact CE1-CH2 4.08Å; Y523-W603 HydrophobicContact CE1-CZ2 4.43Å; Y523-W603 HydrophobicContact CG-CZ2 4.38Å
524Y93.4Very high86.2Confident1 Ų158 Ų580%0.00433%0.332CS..Hα-helixtrans-61.1-48.4178174.2-111.8000111.6V441 G526 L527 V528 R567 V568 A571 E598 E599 F602V441-Y524 HydrophobicContact CG1-CE1 4.15Å; V441-Y524 HydrophobicContact CG2-CE1 4.34Å; Y524-G526 VanDerWaalsContact C-N 3.28Å; Y524-G526 PolarHBondContact O-N 2.68Å; Y524-L527 WeakPolarHBondContact O-CB 3.48Å; Y524-L527 PolarHBondContact O-N 3.46Å; Y524-V528 HydrophobicContact CD1-CG2 4.32Å; Y524-V528 HydrophobicContact CD2-CG2 4.11Å; Y524-V528 HydrophobicContact CE1-CG2 3.83Å; Y524-V528 HydrophobicContact CE2-CG2 3.6Å; Y524-V528 HydrophobicContact CG-CG2 4.44Å; Y524-V528 VanDerWaalsContact CZ-CG2 3.44Å; Y524-V528 WeakPolarHBondContact O-CG2 3.46Å; Y524-V528 PolarHBondContact O-N 3.15Å; Y524-R567 WeakPolarHBondContact OH-CB 3.48Å; Y524-V568 HydrophobicContact CE2-CG2 4.48Å; Y524-A571 HydrophobicContact CD2-CB 4.14Å; Y524-A571 HydrophobicContact CE2-CB 3.74Å; Y524-E598 HydrophobicContact CE1-CG 4.05Å; Y524-E598 WeakPolarHBondContact OH-CG 3.34Å; Y524-E598 PolarHBondContact OH-OE1 3.09Å; Y524-E599 HydrophobicContact CD1-CB 3.84Å; Y524-E599 HydrophobicContact CD1-CG 4.09Å; Y524-E599 HydrophobicContact CE1-CB 4.48Å; Y524-E599 HydrophobicContact CG-CB 4.33Å; Y524-E599 HydrophobicContact CG-CG 4.14Å; Y524-F602 HydrophobicContact CD2-CB 3.71Å; Y524-F602 AromaticContact CD2-CD1 3.7Å; Y524-F602 HydrophobicContact CD2-CD1 3.7Å; Y524-F602 AromaticContact CD2-CD2 3.63Å; Y524-F602 HydrophobicContact CD2-CD2 3.63Å; Y524-F602 HydrophobicContact CD2-CE1 4.22Å; Y524-F602 HydrophobicContact CD2-CE2 4.14Å; Y524-F602 AromaticContact CD2-CG 3.38Å; Y524-F602 HydrophobicContact CD2-CG 3.38Å; Y524-F602 HydrophobicContact CD2-CZ 4.41Å; Y524-F602 HydrophobicContact CE2-CB 3.77Å; Y524-F602 AromaticContact CE2-CD2 3.82Å; Y524-F602 HydrophobicContact CE2-CD2 3.82Å; Y524-F602 AromaticContact CE2-CG 3.79Å; Y524-F602 HydrophobicContact CE2-CG 3.79Å; Y524-F602 HydrophobicContact CG-CB 4.41Å; Y524-F602 HydrophobicContact CG-CD1 4.24Å; Y524-F602 HydrophobicContact CG-CG 4.25Å
525A90.2Very high85.5Confident29 Ų2961.6 Ų61.624%0.2436%0.358CS..Hα-helixtrans-56.5-43177.200000112.1V528 Q529A525-V528 PolarHBondContact O-N 3.44Å; A525-Q529 PolarHBondContact O-N 3.11Å; A525-Q529 VanDerWaalsContact O-N 3.1Å
526G90.4Very high85.2Confident24 Ų2463.2 Ų63.225%0.24737%0.369CS..Hα-helixtrans-65.6-35.5175.300000113.9G522 Y523 Y524 K530G522-G526 PolarHBondContact O-N 2.99Å; G522-G526 VanDerWaalsContact O-N 3.13Å; Y523-G526 PolarHBondContact O-N 3.44Å; Y524-G526 VanDerWaalsContact C-N 3.28Å; Y524-G526 PolarHBondContact O-N 2.68Å; G526-K530 WeakPolarHBondContact O-CB 3.14Å; G526-K530 VanDerWaalsContact O-CG 3.26Å; G526-K530 WeakPolarHBondContact O-CG 3.44Å; G526-K530 PolarHBondContact O-N 3.38Å; G526-K530 VanDerWaalsContact O-N 3.1Å
527L91.7Very high85Confident12 Ų1266 Ų666%0.06339%0.385CS..Hα-helixtrans-68.1-43.7174.2-76.4175.2000112Y523 Y524 Q529 K530 S531 A571 R575 F602Y523-L527 HydrophobicContact CD1-CD1 3.8Å; Y523-L527 HydrophobicContact CD1-CG 4.45Å; Y523-L527 HydrophobicContact CE1-CD1 3.3Å; Y523-L527 HydrophobicContact CE1-CG 4.12Å; Y523-L527 HydrophobicContact CE2-CD1 4.39Å; Y523-L527 HydrophobicContact CE2-CG 4.38Å; Y523-L527 WeakPolarHBondContact O-CG 3.45Å; Y523-L527 PolarHBondContact O-N 3Å; Y524-L527 WeakPolarHBondContact O-CB 3.48Å; Y524-L527 PolarHBondContact O-N 3.46Å; L527-Q529 VanDerWaalsContact C-N 3.32Å; L527-Q529 PolarHBondContact O-N 3.04Å; L527-K530 PolarHBondContact O-N 3.44Å; L527-S531 VanDerWaalsContact O-CB 3.28Å; L527-S531 WeakPolarHBondContact O-CB 3.36Å; L527-S531 PolarHBondContact O-N 2.88Å; L527-S531 PolarHBondContact O-OG 3.33Å; L527-A571 HydrophobicContact CB-CB 4.19Å; L527-R575 HydrophobicContact CD1-CB 3.94Å; L527-R575 HydrophobicContact CD2-CB 4.47Å; L527-F602 HydrophobicContact CD1-CE1 4.38Å; L527-F602 HydrophobicContact CD1-CE2 4.15Å; L527-F602 HydrophobicContact CD1-CZ 3.56Å
528V91.3Very high84.8Confident3 Ų365.2 Ų65.22%0.01838%0.383CS..Hα-helixtrans-56.2-50.2176.2169.30000109.6Y524 A525 K530 S531 M532 R567 A571Y524-V528 HydrophobicContact CD1-CG2 4.32Å; Y524-V528 HydrophobicContact CD2-CG2 4.11Å; Y524-V528 HydrophobicContact CE1-CG2 3.83Å; Y524-V528 HydrophobicContact CE2-CG2 3.6Å; Y524-V528 HydrophobicContact CG-CG2 4.44Å; Y524-V528 VanDerWaalsContact CZ-CG2 3.44Å; Y524-V528 WeakPolarHBondContact O-CG2 3.46Å; Y524-V528 PolarHBondContact O-N 3.15Å; A525-V528 PolarHBondContact O-N 3.44Å; V528-K530 PolarHBondContact O-N 2.72Å; V528-S531 PolarHBondContact O-N 3.43Å; V528-S531 PolarHBondContact O-OG 2.71Å; V528-S531 VanDerWaalsContact O-OG 3.07Å; V528-M532 HydrophobicContact CG1-CE 3.7Å; V528-M532 HydrophobicContact CG1-SD 4.48Å; V528-M532 WeakPolarHBondContact O-CG 3.22Å; V528-M532 PolarHBondContact O-N 3.19Å; V528-R567 HydrophobicContact CG1-CG 4.19Å; V528-R567 HydrophobicContact CG2-CB 4.32Å; V528-A571 HydrophobicContact CG2-CB 4.12Å
529Q87.7Confident85Confident86 Ų8661.2 Ų61.240%0.40236%0.363SS..Hα-helixtrans-59.6-44.5178.5-169.9-179.712.700112.3E433 L437 A525 L527 S531E433-Q529 PolarHBondContact OE2-NE2 2.61Å; L437-Q529 HydrophobicContact CD2-CB 4.46Å; A525-Q529 PolarHBondContact O-N 3.11Å; A525-Q529 VanDerWaalsContact O-N 3.1Å; L527-Q529 VanDerWaalsContact C-N 3.32Å; L527-Q529 PolarHBondContact O-N 3.04Å; Q529-S531 VanDerWaalsContact C-N 3.32Å; Q529-S531 PolarHBondContact O-N 2.84Å
530K87.3Confident85.3Confident134 Ų13463.5 Ų63.558%0.58337%0.37SS*.Hα-helixtrans-66.7-32.3178.6-74.1174.1-176.6-178.70113.5G526 L527 V528 H534G526-K530 WeakPolarHBondContact O-CB 3.14Å; G526-K530 VanDerWaalsContact O-CG 3.26Å; G526-K530 WeakPolarHBondContact O-CG 3.44Å; G526-K530 PolarHBondContact O-N 3.38Å; G526-K530 VanDerWaalsContact O-N 3.1Å; L527-K530 PolarHBondContact O-N 3.44Å; V528-K530 PolarHBondContact O-N 2.72Å; K530-H534 PolarHBondContact O-CE1 3.03Å; K530-H534 PolarHBondContact O-ND1 2.88Å
531S86.4Confident85.6Confident8 Ų862.3 Ų62.36%0.05637%0.365CS..Hα-helixtrans-87.3-18.8-176.669.80000113.3L527 V528 Q529 G533 H534L527-S531 VanDerWaalsContact O-CB 3.28Å; L527-S531 WeakPolarHBondContact O-CB 3.36Å; L527-S531 PolarHBondContact O-N 2.88Å; L527-S531 PolarHBondContact O-OG 3.33Å; V528-S531 PolarHBondContact O-N 3.43Å; V528-S531 PolarHBondContact O-OG 2.71Å; V528-S531 VanDerWaalsContact O-OG 3.07Å; Q529-S531 VanDerWaalsContact C-N 3.32Å; Q529-S531 PolarHBondContact O-N 2.84Å; S531-G533 PolarHBondContact O-N 3.05Å; S531-H534 PolarHBondContact O-N 3.48Å
532M78.9Confident86.1Confident101 Ų10156 Ų5650%0.49834%0.335SS..THydrogen-bonded Turntrans-58.6133174.5-81.8-179.4174.400111.3V528 H534V528-M532 HydrophobicContact CG1-CE 3.7Å; V528-M532 HydrophobicContact CG1-SD 4.48Å; V528-M532 WeakPolarHBondContact O-CG 3.22Å; V528-M532 PolarHBondContact O-N 3.19Å; M532-H534 VanDerWaalsContact C-N 3.26Å; M532-H534 PolarHBondContact O-N 3.48Å; M532-H534 PolarHBondContact O-ND1 3.01Å
533G70.2Confident86.4Confident90 Ų9057.2 Ų57.293%0.92833%0.328SS*.THydrogen-bonded Turntrans76.8-3.4176.100000116.3S531S531-G533 PolarHBondContact O-N 3.05Å
534H76.3Confident86.5Confident121 Ų12161 Ų6156%0.5634%0.342SS*.  trans-86.7122176.1-69.972.4000110.5K530 S531 M532K530-H534 PolarHBondContact O-CE1 3.03Å; K530-H534 PolarHBondContact O-ND1 2.88Å; S531-H534 PolarHBondContact O-N 3.48Å; M532-H534 VanDerWaalsContact C-N 3.26Å; M532-H534 PolarHBondContact O-N 3.48Å; M532-H534 PolarHBondContact O-ND1 3.01Å
535S76.3Confident86.5Confident107 Ų10761 Ų6175%0.74834%0.342SS*.  trans-9212817361.10000110.7
536S82.3Confident86.6Confident52 Ų5259.6 Ų59.636%0.36433%0.33SS..  trans-142.616517566.20000109.5A538 T539 D540S536-A538 PolarHBondContact O-N 3.35Å; S536-T539 PolarHBondContact N-OG1 3.31Å; S536-T539 PolarHBondContact O-N 3.16Å; S536-T539 VanDerWaalsContact O-N 3.08Å; S536-T539 PolarHBondContact O-OG1 2.98Å; S536-T539 PolarHBondContact OG-N 3.15Å; S536-T539 PolarHBondContact OG-OG1 3.47Å; S536-D540 PolarHBondContact O-N 3.2Å; S536-D540 VanDerWaalsContact O-N 3.11Å
537L82.5Confident86.4Confident90 Ų9064.8 Ų64.847%0.47135%0.348SS..Hα-helixtrans-55.3-38.6173.7-174.6126.9000111.7D540 E541L537-D540 PolarHBondContact O-N 3.19Å; L537-E541 HydrophobicContact CD2-CG 4.48Å; L537-E541 VanDerWaalsContact O-CG 3.3Å; L537-E541 WeakPolarHBondContact O-CG 3.26Å; L537-E541 PolarHBondContact O-N 3Å
538A85.6Confident86.3Confident16 Ų1669.5 Ų69.513%0.13237%0.365CS..Hα-helixtrans-63.5-41.9177.200000112.4S536 E541 I542 A573S536-A538 PolarHBondContact O-N 3.35Å; A538-E541 PolarHBondContact O-N 3.43Å; A538-I542 WeakPolarHBondContact O-CB 3.34Å; A538-I542 WeakPolarHBondContact O-CD1 3.49Å; A538-I542 WeakPolarHBondContact O-CG1 3.38Å; A538-I542 PolarHBondContact O-N 3.29Å; A538-A573 HydrophobicContact CB-CB 4.07Å
539T88.3Confident86.1Confident19 Ų1969.4 Ų69.412%0.11736%0.364CS..Hα-helixtrans-67.5-36.7178.552.30000112S536 I542 E543 T570S536-T539 PolarHBondContact N-OG1 3.31Å; S536-T539 PolarHBondContact O-N 3.16Å; S536-T539 VanDerWaalsContact O-N 3.08Å; S536-T539 PolarHBondContact O-OG1 2.98Å; S536-T539 PolarHBondContact OG-N 3.15Å; S536-T539 PolarHBondContact OG-OG1 3.47Å; T539-I542 PolarHBondContact O-N 3.01Å; T539-E543 WeakPolarHBondContact O-CG 3.47Å; T539-E543 PolarHBondContact O-N 3.42Å; T539-T570 HydrophobicContact CG2-CG2 3.8Å
540D88.9Confident85.9Confident105 Ų10566.8 Ų66.856%0.56135%0.353SS*.Hα-helixtrans-67.2-40177.5-64.8-13.4000111.5S536 L537 R544S536-D540 PolarHBondContact O-N 3.2Å; S536-D540 VanDerWaalsContact O-N 3.11Å; L537-D540 PolarHBondContact O-N 3.19Å; D540-R544 PolarHBondContact O-N 3.23Å
541E90.9Very high85.6Confident56 Ų5663.5 Ų63.526%0.26235%0.345SS..Hα-helixtrans-66.1-39.6173.8-69.7-178157.400112.2L537 A538 R544 D545 Y581L537-E541 HydrophobicContact CD2-CG 4.48Å; L537-E541 VanDerWaalsContact O-CG 3.3Å; L537-E541 WeakPolarHBondContact O-CG 3.26Å; L537-E541 PolarHBondContact O-N 3Å; A538-E541 PolarHBondContact O-N 3.43Å; E541-R544 PolarHBondContact O-N 3.34Å; E541-D545 WeakPolarHBondContact O-CB 3.2Å; E541-D545 VanDerWaalsContact O-CG 3.28Å; E541-D545 PolarHBondContact O-N 2.86Å; E541-Y581 HydrophobicContact CB-CD1 3.69Å; E541-Y581 HydrophobicContact CB-CE1 3.96Å
542I93.3Very high85.4Confident0 Ų070 Ų700%038%0.38CS..Hα-helixtrans-59.3-52.7174.3-72.1162.1000109.9A538 T539 R544 D545 L546 L569 A573 Y581A538-I542 WeakPolarHBondContact O-CB 3.34Å; A538-I542 WeakPolarHBondContact O-CD1 3.49Å; A538-I542 WeakPolarHBondContact O-CG1 3.38Å; A538-I542 PolarHBondContact O-N 3.29Å; T539-I542 PolarHBondContact O-N 3.01Å; I542-R544 VanDerWaalsContact C-N 3.26Å; I542-R544 PolarHBondContact O-N 3.32Å; I542-D545 WeakPolarHBondContact O-CA 3.17Å; I542-D545 PolarHBondContact O-N 2.97Å; I542-L546 HydrophobicContact CG2-CD1 4.41Å; I542-L546 HydrophobicContact CG2-CD2 3.98Å; I542-L546 HydrophobicContact CG2-CG 4.11Å; I542-L546 WeakPolarHBondContact O-CG 3.4Å; I542-L546 PolarHBondContact O-N 3.24Å; I542-L569 HydrophobicContact CD1-CB 3.83Å; I542-L569 HydrophobicContact CG1-CB 4.06Å; I542-L569 HydrophobicContact CG2-CB 4.12Å; I542-L569 HydrophobicContact CG2-CD1 4.08Å; I542-A573 HydrophobicContact CD1-CB 4.4Å; I542-Y581 HydrophobicContact CD1-CD2 4.03Å; I542-Y581 HydrophobicContact CD1-CG 4.09Å; I542-Y581 HydrophobicContact CG1-CD1 3.91Å; I542-Y581 HydrophobicContact CG1-CD2 3.42Å; I542-Y581 VanDerWaalsContact CG1-CD2 3.42Å; I542-Y581 HydrophobicContact CG1-CE1 4.22Å; I542-Y581 HydrophobicContact CG1-CE2 3.78Å; I542-Y581 HydrophobicContact CG1-CG 3.5Å; I542-Y581 VanDerWaalsContact CG1-CG 3.5Å
543E92.8Very high85.7Confident74 Ų7466.6 Ų66.635%0.34636%0.362SS..Hα-helixtrans-56.3-39.2-177.8-72.7-54.4141.600113.2T539 D545 L546 R566T539-E543 WeakPolarHBondContact O-CG 3.47Å; T539-E543 PolarHBondContact O-N 3.42Å; E543-D545 PolarHBondContact O-N 3.13Å; E543-L546 WeakPolarHBondContact OE2-CD1 3.39Å; E543-R566 VanDerWaalsContact OE1-CD 3.26Å; E543-R566 WeakPolarHBondContact OE1-CD 3.3Å; E543-R566 IonicContact OE1-CZ 2.77Å; E543-R566 IonicContact OE1-NE 3.47Å; E543-R566 PolarHBondContact OE1-NE 2.95Å; E543-R566 IonicContact OE1-NH2 2.9Å; E543-R566 IonicContact OE2-CZ 3.07Å; E543-R566 IonicContact OE2-NE 3.93Å; E543-R566 PolarHBondContact OE2-NE 2.85Å; E543-R566 IonicContact OE2-NH2 2.67Å; E543-R566 PolarHBondContact OE2-NH2 3.2Å
544R91.9Very high86.4Confident153 Ų15366 Ų6658%0.57734%0.342SS*.Hα-helixtrans-63.9-29.1175.9-174.2175.861.9-145.5-1.8112.4D540 E541 I542D540-R544 PolarHBondContact O-N 3.23Å; E541-R544 PolarHBondContact O-N 3.34Å; I542-R544 VanDerWaalsContact C-N 3.26Å; I542-R544 PolarHBondContact O-N 3.32Å
545D93Very high86.9Confident1 Ų160.2 Ų60.21%0.00532%0.315CS..Hα-helixtrans-95.5-23.2-171.8-738.6000114E541 I542 E543 H547 R548 S549 Y581 N586E541-D545 WeakPolarHBondContact O-CB 3.2Å; E541-D545 VanDerWaalsContact O-CG 3.28Å; E541-D545 PolarHBondContact O-N 2.86Å; I542-D545 WeakPolarHBondContact O-CA 3.17Å; I542-D545 PolarHBondContact O-N 2.97Å; E543-D545 PolarHBondContact O-N 3.13Å; D545-H547 VanDerWaalsContact C-N 3.34Å; D545-H547 PolarHBondContact O-N 3.33Å; D545-R548 WeakPolarHBondContact O-CG 3.45Å; D545-R548 PolarHBondContact O-N 2.99Å; D545-R548 VanDerWaalsContact O-N 3.16Å; D545-R548 IonicContact OD1-CZ 2.94Å; D545-R548 IonicContact OD1-NE 3.74Å; D545-R548 PolarHBondContact OD1-NE 3.29Å; D545-R548 IonicContact OD1-NH2 3.8Å; D545-R548 PolarHBondContact OD1-NH2 2.95Å; D545-R548 IonicContact OD2-CZ 3.83Å; D545-R548 IonicContact OD2-NE 2.71Å; D545-R548 IonicContact OD2-NH2 3.67Å; D545-R548 PolarHBondContact OD2-NH2 2.98Å; D545-S549 PolarHBondContact O-N 3.15Å; D545-S549 PolarHBondContact O-OG 3.43Å; D545-Y581 WeakPolarHBondContact CB-OH 3.49Å; D545-Y581 VanDerWaalsContact CG-OH 3.31Å; D545-Y581 PolarHBondContact OD2-OH 3.11Å; D545-N586 HydrophobicContact CB-CB 4.38Å
546L92.2Very high87.5Confident0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-52.2-48.7-176.2-70.7175.3000112.9I542 E543 R548 S549 I562 L565 R566 L569I542-L546 HydrophobicContact CG2-CD1 4.41Å; I542-L546 HydrophobicContact CG2-CD2 3.98Å; I542-L546 HydrophobicContact CG2-CG 4.11Å; I542-L546 WeakPolarHBondContact O-CG 3.4Å; I542-L546 PolarHBondContact O-N 3.24Å; E543-L546 WeakPolarHBondContact OE2-CD1 3.39Å; L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.06Å; L546-S549 WeakPolarHBondContact O-CB 3.26Å; L546-S549 PolarHBondContact O-N 2.85Å; L546-S549 PolarHBondContact O-OG 3.07Å; L546-I562 HydrophobicContact CB-CG2 4.26Å; L546-I562 HydrophobicContact CD1-CG2 4.22Å; L546-I562 WeakPolarHBondContact O-CD1 3.14Å; L546-L565 HydrophobicContact CD2-CB 4.07Å; L546-L565 HydrophobicContact CD2-CD2 3.73Å; L546-L565 HydrophobicContact CD2-CG 3.66Å; L546-R566 HydrophobicContact CD1-CB 3.82Å; L546-R566 HydrophobicContact CD1-CG 4.13Å; L546-R566 HydrophobicContact CD2-CB 4.14Å; L546-L569 HydrophobicContact CD2-CD1 4.28Å
547H87.4Confident87.7Confident132 Ų13259.5 Ų59.561%0.61129%0.294SS*.THydrogen-bonded Turntrans-78.8-12.3-173.6-60.292.2000114.2D545D545-H547 VanDerWaalsContact C-N 3.34Å; D545-H547 PolarHBondContact O-N 3.33Å
548R88.4Confident87.8Confident112 Ų11257.6 Ų57.642%0.42328%0.284SS..THydrogen-bonded Turntrans-977.2173.162.9177.5-175.1170.47.1112.9D545 L546 Q583D545-R548 WeakPolarHBondContact O-CG 3.45Å; D545-R548 PolarHBondContact O-N 2.99Å; D545-R548 VanDerWaalsContact O-N 3.16Å; D545-R548 IonicContact OD1-CZ 2.94Å; D545-R548 IonicContact OD1-NE 3.74Å; D545-R548 PolarHBondContact OD1-NE 3.29Å; D545-R548 IonicContact OD1-NH2 3.8Å; D545-R548 PolarHBondContact OD1-NH2 2.95Å; D545-R548 IonicContact OD2-CZ 3.83Å; D545-R548 IonicContact OD2-NE 2.71Å; D545-R548 IonicContact OD2-NH2 3.67Å; D545-R548 PolarHBondContact OD2-NH2 2.98Å; L546-R548 VanDerWaalsContact C-N 3.31Å; L546-R548 PolarHBondContact O-N 3.06Å; R548-Q583 VanDerWaalsContact NH2-NE2 3.14Å
549S87.1Confident87.9Confident1 Ų161.8 Ų61.81%0.00731%0.31CS..SBendtrans-92.6105.9-177.5-51.90000110.9D545 L546 N586 S590D545-S549 PolarHBondContact O-N 3.15Å; D545-S549 PolarHBondContact O-OG 3.43Å; L546-S549 WeakPolarHBondContact O-CB 3.26Å; L546-S549 PolarHBondContact O-N 2.85Å; L546-S549 PolarHBondContact O-OG 3.07Å; S549-N586 WeakPolarHBondContact OG-CB 3.26Å; S549-N586 PolarHBondContact OG-ND2 3.44Å; S549-S590 WeakPolarHBondContact CB-OG 3.21Å
550L83.9Confident87.9Confident30 Ų3064.5 Ų64.516%0.15733%0.327CS..SBendtrans47.458-173.3-64.1175000112.5D552 H553 F556 V591 L594 F670L550-D552 PolarHBondContact O-N 3.24Å; L550-D552 VanDerWaalsContact O-N 3.1Å; L550-H553 HydrophobicContact CB-CB 4.09Å; L550-H553 PolarHBondContact O-N 3.11Å; L550-F556 HydrophobicContact CB-CD2 3.94Å; L550-F556 HydrophobicContact CB-CE2 4.46Å; L550-F556 HydrophobicContact CD1-CD2 4.31Å; L550-F556 HydrophobicContact CD1-CE2 4.01Å; L550-V591 HydrophobicContact CD1-CG2 3.81Å; L550-L594 HydrophobicContact CD1-CD1 4.14Å; L550-F670 HydrophobicContact CD1-CE2 4.27Å; L550-F670 HydrophobicContact CD2-CD2 4.33Å
551P80.9Confident87.9Confident65 Ų6559.5 Ų59.542%0.42230%0.3SS..THydrogen-bonded Turntrans-61.3-26.3-169.326.4-35.5000113.6H553 Q557P551-H553 VanDerWaalsContact C-N 3.35Å; P551-Q557 WeakPolarHBondContact O-CG 3.47Å; P551-Q557 PolarHBondContact O-NE2 3.35Å
552D81.9Confident88Confident146 Ų14657.3 Ų57.378%0.78129%0.29SS*.THydrogen-bonded Turntrans-82.4-11.4-179.9-57.3-44.9000113.3L550L550-D552 PolarHBondContact O-N 3.24Å; L550-D552 VanDerWaalsContact O-N 3.1Å
553H85.4Confident88Confident29 Ų2958.6 Ų58.613%0.13430%0.301CS..SBendtrans-85.6128.8-176.7-165.5-79.6000111.7L550 P551 A555 F556 Q557 L594L550-H553 HydrophobicContact CB-CB 4.09Å; L550-H553 PolarHBondContact O-N 3.11Å; P551-H553 VanDerWaalsContact C-N 3.35Å; H553-A555 WeakPolarHBondContact ND1-CB 3.29Å; H553-A555 PolarHBondContact ND1-N 3.03Å; H553-A555 PolarHBondContact O-N 3.3Å; H553-A555 VanDerWaalsContact O-N 3.07Å; H553-F556 HydrophobicContact CB-CD2 4.29Å; H553-F556 PolarHBondContact O-N 3.22Å; H553-Q557 PolarHBondContact O-N 3.39Å; H553-L594 WeakPolarHBondContact CE1-CD2 3.33Å
554P86Confident88Confident76 Ų7655.1 Ų55.149%0.49429%0.285SS..Hα-helixtrans-55.1-34.6-174.7-28.434.8000115F556 Q557 N558P554-F556 VanDerWaalsContact C-N 3.26Å; P554-F556 PolarHBondContact O-N 2.97Å; P554-Q557 PolarHBondContact O-N 3.46Å; P554-N558 PolarHBondContact O-N 3.43Å
555A85.6Confident88.2Confident0 Ų047.9 Ų47.90%026%0.257CS..Hα-helixtrans-59.9-32.917900000113.5L446 F450 H553 G561 L594L446-A555 HydrophobicContact CB-CB 4.04Å; L446-A555 HydrophobicContact CD1-CB 4.18Å; F450-A555 HydrophobicContact CD2-CB 3.72Å; F450-A555 HydrophobicContact CE2-CB 4.14Å; F450-A555 HydrophobicContact CG-CB 4.44Å; H553-A555 WeakPolarHBondContact ND1-CB 3.29Å; H553-A555 PolarHBondContact ND1-N 3.03Å; H553-A555 PolarHBondContact O-N 3.3Å; H553-A555 VanDerWaalsContact O-N 3.07Å; A555-G561 WeakPolarHBondContact O-CA 3.44Å; A555-L594 HydrophobicContact CB-CD2 3.73Å
556F88.2Confident88.3Confident12 Ų1251.3 Ų51.35%0.05327%0.27CS..Hα-helixtrans-100-1.9-177.9-60.5-68.7000113.3L446 L550 H553 P554 N558 I562 L565 S590 L593 L594L446-F556 HydrophobicContact CD1-CE1 4.09Å; L446-F556 HydrophobicContact CD1-CZ 3.95Å; L550-F556 HydrophobicContact CB-CD2 3.94Å; L550-F556 HydrophobicContact CB-CE2 4.46Å; L550-F556 HydrophobicContact CD1-CD2 4.31Å; L550-F556 HydrophobicContact CD1-CE2 4.01Å; H553-F556 HydrophobicContact CB-CD2 4.29Å; H553-F556 PolarHBondContact O-N 3.22Å; P554-F556 VanDerWaalsContact C-N 3.26Å; P554-F556 PolarHBondContact O-N 2.97Å; F556-N558 VanDerWaalsContact C-N 3.29Å; F556-I562 HydrophobicContact CB-CD1 4.18Å; F556-I562 HydrophobicContact CD1-CD1 4.39Å; F556-I562 VanDerWaalsContact O-CD1 3.28Å; F556-I562 WeakPolarHBondContact O-CD1 3.45Å; F556-I562 VanDerWaalsContact O-CG1 3.29Å; F556-I562 WeakPolarHBondContact O-CG1 3.44Å; F556-L565 HydrophobicContact CD1-CD2 4.27Å; F556-L565 HydrophobicContact CE1-CB 4.23Å; F556-L565 HydrophobicContact CE1-CD2 4.27Å; F556-S590 VanDerWaalsContact CZ-CA 3.43Å; F556-S590 VanDerWaalsContact CZ-CB 3.49Å; F556-S590 VanDerWaalsContact CZ-O 3.25Å; F556-S590 WeakPolarHBondContact CZ-O 3.37Å; F556-L593 HydrophobicContact CZ-CB 4.44Å; F556-L594 HydrophobicContact CE2-CD1 4.43Å; F556-L594 HydrophobicContact CE2-CD2 3.82Å; F556-L594 HydrophobicContact CE2-CG 4.07Å; F556-L594 HydrophobicContact CZ-CD2 4.31Å
557Q86.8Confident88.4Confident133 Ų13353 Ų5362%0.62128%0.277SS*.Hα-helixtrans-83.6-11.2161.5-62.8178.50.400111.7P551 H553 P554P551-Q557 WeakPolarHBondContact O-CG 3.47Å; P551-Q557 PolarHBondContact O-NE2 3.35Å; H553-Q557 PolarHBondContact O-N 3.39Å; P554-Q557 PolarHBondContact O-N 3.46Å
558N86.2Confident88.9Confident50 Ų5046.8 Ų46.827%0.26725%0.247SC..SBendtrans-94.8134.4177.5-168.6-56.6000111.3F450 P554 F556 T560 G561 I562F450-N558 HydrophobicContact CE1-CB 3.99Å; F450-N558 VanDerWaalsContact CE1-ND2 3.3Å; F450-N558 WeakPolarHBondContact CE1-ND2 3.43Å; F450-N558 HydrophobicContact CZ-CB 3.85Å; P554-N558 PolarHBondContact O-N 3.43Å; F556-N558 VanDerWaalsContact C-N 3.29Å; N558-T560 PolarHBondContact O-N 3.33Å; N558-T560 VanDerWaalsContact OD1-CB 3.23Å; N558-T560 WeakPolarHBondContact OD1-CB 3.43Å; N558-T560 PolarHBondContact OD1-N 2.95Å; N558-T560 PolarHBondContact OD1-OG1 3.2Å; N558-G561 PolarHBondContact O-N 2.94Å; N558-G561 VanDerWaalsContact O-N 3.14Å; N558-I562 PolarHBondContact O-N 3.37Å
559P87.4Confident89.2Confident104 Ų10441.4 Ų41.468%0.67523%0.227SC*.Hα-helixtrans-53.3-29.6175.1-27.634.8000114.4A563P559-A563 WeakPolarHBondContact O-CB 3.37Å; P559-A563 PolarHBondContact O-N 3.18Å
560T87.8Confident89.6Confident75 Ų7542.2 Ų42.246%0.4623%0.232SC..Hα-helixtrans-65.4-47.4178.9-490000111.7N558 A563 A564N558-T560 PolarHBondContact O-N 3.33Å; N558-T560 VanDerWaalsContact OD1-CB 3.23Å; N558-T560 WeakPolarHBondContact OD1-CB 3.43Å; N558-T560 PolarHBondContact OD1-N 2.95Å; N558-T560 PolarHBondContact OD1-OG1 3.2Å; T560-A563 PolarHBondContact O-N 3.24Å; T560-A564 PolarHBondContact O-N 3.22Å
561G89.6Confident90.1Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-68.8-39.6178.300000111.9A555 N558 A563 A564 L565A555-G561 WeakPolarHBondContact O-CA 3.44Å; N558-G561 PolarHBondContact O-N 2.94Å; N558-G561 VanDerWaalsContact O-N 3.14Å; G561-A563 VanDerWaalsContact C-N 3.34Å; G561-A563 PolarHBondContact O-N 3.36Å; G561-A564 PolarHBondContact O-N 3.08Å; G561-L565 WeakPolarHBondContact O-CB 3.47Å; G561-L565 PolarHBondContact O-N 3.42Å
562I93.1Very high90.7Very high11 Ų1137.7 Ų37.76%0.05620%0.204CC..Hα-helixtrans-62.6-39.9173.4-65.9-64000111.6L546 F556 N558 L565 R566L546-I562 HydrophobicContact CB-CG2 4.26Å; L546-I562 HydrophobicContact CD1-CG2 4.22Å; L546-I562 WeakPolarHBondContact O-CD1 3.14Å; F556-I562 HydrophobicContact CB-CD1 4.18Å; F556-I562 HydrophobicContact CD1-CD1 4.39Å; F556-I562 VanDerWaalsContact O-CD1 3.28Å; F556-I562 WeakPolarHBondContact O-CD1 3.45Å; F556-I562 VanDerWaalsContact O-CG1 3.29Å; F556-I562 WeakPolarHBondContact O-CG1 3.44Å; N558-I562 PolarHBondContact O-N 3.37Å; I562-L565 PolarHBondContact O-N 2.87Å; I562-R566 WeakPolarHBondContact O-CB 3.5Å; I562-R566 PolarHBondContact O-N 3.35Å
563A92Very high91.2Very high27 Ų2731.2 Ų31.222%0.22317%0.172CC..Hα-helixtrans-66.5-41.2176.200000112.5P559 T560 G561 R566 R567P559-A563 WeakPolarHBondContact O-CB 3.37Å; P559-A563 PolarHBondContact O-N 3.18Å; T560-A563 PolarHBondContact O-N 3.24Å; G561-A563 VanDerWaalsContact C-N 3.34Å; G561-A563 PolarHBondContact O-N 3.36Å; A563-R566 PolarHBondContact O-N 2.93Å; A563-R567 WeakPolarHBondContact O-CG 3.46Å; A563-R567 PolarHBondContact O-N 3.19Å
564A93.6Very high91.4Very high1 Ų133.8 Ų33.81%0.00818%0.183CC..Hα-helixtrans-63.1-45.7174.600000111.5T560 G561 R566 R567 V568 L593 E598T560-A564 PolarHBondContact O-N 3.22Å; G561-A564 PolarHBondContact O-N 3.08Å; A564-R566 PolarHBondContact O-N 3.3Å; A564-R567 PolarHBondContact O-N 2.7Å; A564-V568 WeakPolarHBondContact O-CG2 3.37Å; A564-V568 PolarHBondContact O-N 3.31Å; A564-L593 HydrophobicContact CB-CD1 4.32Å; A564-L593 HydrophobicContact CB-CD2 4.28Å; A564-E598 HydrophobicContact CB-CG 4.44Å
565L95.4Very high91.6Very high0 Ų033.5 Ų33.50%017%0.172CC..Hα-helixtrans-58.9-45.8176.6-176.962.4000112L546 F556 G561 I562 R567 V568 L569 A589 S590 L593L546-L565 HydrophobicContact CD2-CB 4.07Å; L546-L565 HydrophobicContact CD2-CD2 3.73Å; L546-L565 HydrophobicContact CD2-CG 3.66Å; F556-L565 HydrophobicContact CD1-CD2 4.27Å; F556-L565 HydrophobicContact CE1-CB 4.23Å; F556-L565 HydrophobicContact CE1-CD2 4.27Å; G561-L565 WeakPolarHBondContact O-CB 3.47Å; G561-L565 PolarHBondContact O-N 3.42Å; I562-L565 PolarHBondContact O-N 2.87Å; L565-R567 PolarHBondContact O-N 3.08Å; L565-V568 PolarHBondContact O-N 3.33Å; L565-L569 HydrophobicContact CD1-CD1 3.85Å; L565-L569 HydrophobicContact CD1-CG 4.13Å; L565-L569 HydrophobicContact CG-CD1 3.89Å; L565-L569 WeakPolarHBondContact O-CB 3.33Å; L565-L569 WeakPolarHBondContact O-CG 3.46Å; L565-L569 PolarHBondContact O-N 2.88Å; L565-A589 HydrophobicContact CD1-CB 3.65Å; L565-S590 VanDerWaalsContact CD2-OG 3.31Å; L565-S590 WeakPolarHBondContact CD2-OG 3.36Å; L565-L593 HydrophobicContact CB-CD1 4.02Å; L565-L593 HydrophobicContact CD1-CD1 4.06Å
566R95.1Very high91.7Very high74 Ų7434.6 Ų34.628%0.27918%0.178SC..Hα-helixtrans-56-49.4174.5-178.6-174.9-72101.2-0.6111.6E543 L546 I562 A563 A564 T570E543-R566 VanDerWaalsContact OE1-CD 3.26Å; E543-R566 WeakPolarHBondContact OE1-CD 3.3Å; E543-R566 IonicContact OE1-CZ 2.77Å; E543-R566 IonicContact OE1-NE 3.47Å; E543-R566 PolarHBondContact OE1-NE 2.95Å; E543-R566 IonicContact OE1-NH2 2.9Å; E543-R566 IonicContact OE2-CZ 3.07Å; E543-R566 IonicContact OE2-NE 3.93Å; E543-R566 PolarHBondContact OE2-NE 2.85Å; E543-R566 IonicContact OE2-NH2 2.67Å; E543-R566 PolarHBondContact OE2-NH2 3.2Å; L546-R566 HydrophobicContact CD1-CB 3.82Å; L546-R566 HydrophobicContact CD1-CG 4.13Å; L546-R566 HydrophobicContact CD2-CB 4.14Å; I562-R566 WeakPolarHBondContact O-CB 3.5Å; I562-R566 PolarHBondContact O-N 3.35Å; A563-R566 PolarHBondContact O-N 2.93Å; A564-R566 PolarHBondContact O-N 3.3Å; R566-T570 WeakPolarHBondContact O-CB 3.48Å; R566-T570 PolarHBondContact O-N 3.05Å; R566-T570 PolarHBondContact O-OG1 3.03Å
567R95.2Very high91.4Very high36 Ų3638.9 Ų38.914%0.13621%0.207CC..Hα-helixtrans-63-45.6-178.7-73.8-171.2-60.8-97.14.5112.1T440 Y524 V528 A563 A564 L565 A571 E598T440-R567 PolarHBondContact O-NH2 3.48Å; T440-R567 VanDerWaalsContact O-NH2 3.12Å; Y524-R567 WeakPolarHBondContact OH-CB 3.48Å; V528-R567 HydrophobicContact CG1-CG 4.19Å; V528-R567 HydrophobicContact CG2-CB 4.32Å; A563-R567 WeakPolarHBondContact O-CG 3.46Å; A563-R567 PolarHBondContact O-N 3.19Å; A564-R567 PolarHBondContact O-N 2.7Å; L565-R567 PolarHBondContact O-N 3.08Å; R567-A571 WeakPolarHBondContact O-CB 3.31Å; R567-A571 PolarHBondContact O-N 3.29Å; R567-E598 IonicContact CZ-OE1 2.99Å; R567-E598 IonicContact CZ-OE2 3.92Å; R567-E598 IonicContact NE-OE1 3.84Å; R567-E598 PolarHBondContact NE-OE1 3.38Å; R567-E598 IonicContact NE-OE2 3Å; R567-E598 IonicContact NH2-OE1 2.63Å; R567-E598 PolarHBondContact NH2-OE1 3.05Å; R567-E598 IonicContact NH2-OE2 3.83Å; R567-E598 PolarHBondContact NH2-OE2 2.81Å
568V96.5Very high91Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-61.6-49.8179.9170.20000111.4Y524 A564 L565 Y572 A589 L593 E598 F602 L605Y524-V568 HydrophobicContact CE2-CG2 4.48Å; A564-V568 WeakPolarHBondContact O-CG2 3.37Å; A564-V568 PolarHBondContact O-N 3.31Å; L565-V568 PolarHBondContact O-N 3.33Å; V568-Y572 WeakPolarHBondContact O-CB 3.46Å; V568-Y572 PolarHBondContact O-N 2.86Å; V568-A589 HydrophobicContact CG1-CB 4.44Å; V568-L593 HydrophobicContact CG2-CD1 4.4Å; V568-L593 HydrophobicContact CG2-CD2 4.1Å; V568-E598 HydrophobicContact CG2-CG 3.81Å; V568-F602 HydrophobicContact CG1-CB 4.28Å; V568-F602 HydrophobicContact CG2-CB 4.5Å; V568-L605 HydrophobicContact CG1-CD2 3.98Å
569L95.9Very high90.9Very high0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-65.7-44.5-178.6-67.8173000112I542 L546 L565 Y572 A573 Y581 M585 N586 A589 L605I542-L569 HydrophobicContact CD1-CB 3.83Å; I542-L569 HydrophobicContact CG1-CB 4.06Å; I542-L569 HydrophobicContact CG2-CB 4.12Å; I542-L569 HydrophobicContact CG2-CD1 4.08Å; L546-L569 HydrophobicContact CD2-CD1 4.28Å; L565-L569 HydrophobicContact CD1-CD1 3.85Å; L565-L569 HydrophobicContact CD1-CG 4.13Å; L565-L569 HydrophobicContact CG-CD1 3.89Å; L565-L569 WeakPolarHBondContact O-CB 3.33Å; L565-L569 WeakPolarHBondContact O-CG 3.46Å; L565-L569 PolarHBondContact O-N 2.88Å; L569-Y572 PolarHBondContact O-N 3.46Å; L569-A573 WeakPolarHBondContact O-CB 3.36Å; L569-A573 PolarHBondContact O-N 3.33Å; L569-Y581 HydrophobicContact CD1-CE2 4.06Å; L569-Y581 HydrophobicContact CD2-CD2 4.33Å; L569-Y581 HydrophobicContact CD2-CE2 4.07Å; L569-M585 HydrophobicContact CD2-CB 4.11Å; L569-N586 HydrophobicContact CD1-CB 3.95Å; L569-A589 HydrophobicContact CD2-CB 3.71Å; L569-A589 HydrophobicContact CG-CB 4.24Å; L569-L605 HydrophobicContact CD2-CD2 4.21Å
570T94.3Very high90.9Very high17 Ų1732.3 Ų32.310%0.10417%0.167CC..Hα-helixtrans-68.6-39.4179.9-61.90000111.7T539 R566 Y572 A573 H574T539-T570 HydrophobicContact CG2-CG2 3.8Å; R566-T570 WeakPolarHBondContact O-CB 3.48Å; R566-T570 PolarHBondContact O-N 3.05Å; R566-T570 PolarHBondContact O-OG1 3.03Å; T570-Y572 VanDerWaalsContact C-N 3.33Å; T570-Y572 PolarHBondContact O-N 2.8Å; T570-A573 PolarHBondContact O-N 3.44Å; T570-H574 WeakPolarHBondContact O-CB 3.49Å; T570-H574 PolarHBondContact O-N 2.9Å
571A95.1Very high91Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-63-39.6174.200000111.7Y524 L527 V528 R567 R575 F602Y524-A571 HydrophobicContact CD2-CB 4.14Å; Y524-A571 HydrophobicContact CE2-CB 3.74Å; L527-A571 HydrophobicContact CB-CB 4.19Å; V528-A571 HydrophobicContact CG2-CB 4.12Å; R567-A571 WeakPolarHBondContact O-CB 3.31Å; R567-A571 PolarHBondContact O-N 3.29Å; A571-R575 WeakPolarHBondContact O-CB 3.48Å; A571-R575 PolarHBondContact O-N 3.39Å; A571-F602 HydrophobicContact CB-CD2 4.27Å; A571-F602 HydrophobicContact CB-CE2 4.1Å
572Y94.6Very high91Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-66.2-48.2175.4179.6-85.8000112V568 L569 T570 H574 R575 N576 I579 M585 L605 V606 C609 E610V568-Y572 WeakPolarHBondContact O-CB 3.46Å; V568-Y572 PolarHBondContact O-N 2.86Å; L569-Y572 PolarHBondContact O-N 3.46Å; T570-Y572 VanDerWaalsContact C-N 3.33Å; T570-Y572 PolarHBondContact O-N 2.8Å; Y572-H574 PolarHBondContact O-N 3.19Å; Y572-R575 WeakPolarHBondContact O-CB 3.38Å; Y572-R575 PolarHBondContact O-N 2.9Å; Y572-N576 PolarHBondContact O-N 3.49Å; Y572-I579 HydrophobicContact CE1-CB 4.41Å; Y572-I579 HydrophobicContact CE1-CG2 3.93Å; Y572-I579 VanDerWaalsContact OH-CD1 3.32Å; Y572-I579 WeakPolarHBondContact OH-CD1 3.26Å; Y572-M585 HydrophobicContact CD1-CE 3.25Å; Y572-M585 HydrophobicContact CE1-CE 3.34Å; Y572-M585 HydrophobicContact CE1-SD 4.47Å; Y572-M585 HydrophobicContact CG-CE 4.1Å; Y572-L605 HydrophobicContact CD2-CD2 4.28Å; Y572-L605 HydrophobicContact CD2-CG 4.26Å; Y572-L605 HydrophobicContact CG-CD2 4.03Å; Y572-L605 HydrophobicContact CG-CG 4.44Å; Y572-V606 HydrophobicContact CD2-CG2 3.83Å; Y572-V606 HydrophobicContact CE2-CG2 4.06Å; Y572-C609 HydrophobicContact CE1-CB 4.44Å; Y572-C609 HydrophobicContact CE2-CB 4.05Å; Y572-C609 WeakPolarHBondContact OH-CB 3.29Å; Y572-E610 HydrophobicContact CE2-CG 4.44Å
573A91.8Very high90.6Very high11 Ų1135.2 Ų35.29%0.09118%0.176CC..Hα-helixtrans-58.6-35.5178.500000111.9A538 I542 L569 T570 N576A538-A573 HydrophobicContact CB-CB 4.07Å; I542-A573 HydrophobicContact CD1-CB 4.4Å; L569-A573 WeakPolarHBondContact O-CB 3.36Å; L569-A573 PolarHBondContact O-N 3.33Å; T570-A573 PolarHBondContact O-N 3.44Å; A573-N576 CarbonylContact O-C 3.6Å
574H90.4Very high90.4Very high82 Ų8234.3 Ų34.338%0.3817%0.169SC..Hα-helixtrans-72.7-37.6174.2-170.580.1000113.1T570 Y572T570-H574 WeakPolarHBondContact O-CB 3.49Å; T570-H574 PolarHBondContact O-N 2.9Å; Y572-H574 PolarHBondContact O-N 3.19Å
575R90.2Very high90.4Very high70 Ų7034.3 Ų34.326%0.26417%0.168SC..Hα-helixtrans-60.3-46.4177166.5179.1166.967.71.2111.6Y523 L527 A571 Y572 E610Y523-R575 PolarHBondContact OH-NH1 3.39Å; L527-R575 HydrophobicContact CD1-CB 3.94Å; L527-R575 HydrophobicContact CD2-CB 4.47Å; A571-R575 WeakPolarHBondContact O-CB 3.48Å; A571-R575 PolarHBondContact O-N 3.39Å; Y572-R575 WeakPolarHBondContact O-CB 3.38Å; Y572-R575 PolarHBondContact O-N 2.9Å; R575-E610 IonicContact CZ-OE2 3.43Å; R575-E610 IonicContact NE-OE1 3.04Å; R575-E610 PolarHBondContact NE-OE1 3.46Å; R575-E610 IonicContact NE-OE2 2.79Å; R575-E610 IonicContact NH2-OE1 2.68Å; R575-E610 IonicContact NH2-OE2 3.25Å; R575-E610 PolarHBondContact NH2-OE2 2.96Å
576N86.6Confident90.4Very high24 Ų2434.5 Ų34.513%0.12817%0.17CC..  trans-129.180.9-174.2-166.8-20.8000110.7Y572 A573 K578 I579 G580 E610Y572-N576 PolarHBondContact O-N 3.49Å; A573-N576 CarbonylContact O-C 3.6Å; N576-K578 PolarHBondContact O-N 2.98Å; N576-K578 VanDerWaalsContact O-N 3.15Å; N576-K578 WeakPolarHBondContact OD1-CB 3.18Å; N576-K578 PolarHBondContact OD1-N 3.23Å; N576-I579 PolarHBondContact O-N 3.06Å; N576-I579 VanDerWaalsContact O-N 3.13Å; N576-I579 PolarHBondContact OD1-N 3.48Å; N576-G580 PolarHBondContact O-N 3.14Å; N576-E610 WeakPolarHBondContact CB-OE1 3.49Å; N576-E610 PolarHBondContact ND2-OE1 3.28Å
577P83Confident90.3Very high102 Ų10232.3 Ų32.366%0.66216%0.163SC*.THydrogen-bonded Turntrans-66.5-16.9-17726.7-35.3000113.4I579P577-I579 VanDerWaalsContact C-N 3.35Å
578K77.1Confident90.3Very high113 Ų11331 Ų3149%0.49116%0.159SC..THydrogen-bonded Turntrans-67-38.1174.4-60.5-176.9-172.3172.10111.8E262 N576E262-K578 IonicContact OE1-NZ 3.2Å; E262-K578 PolarHBondContact OE1-NZ 3.26Å; N576-K578 PolarHBondContact O-N 2.98Å; N576-K578 VanDerWaalsContact O-N 3.15Å; N576-K578 WeakPolarHBondContact OD1-CB 3.18Å; N576-K578 PolarHBondContact OD1-N 3.23Å
579I83.9Confident90.3Very high25 Ų2531 Ų3113%0.12816%0.159CC..THydrogen-bonded Turntrans-84.4-49.4173.5-64.1-179.4000108.9Y572 N576 P577 E610 F617Y572-I579 HydrophobicContact CE1-CB 4.41Å; Y572-I579 HydrophobicContact CE1-CG2 3.93Å; Y572-I579 VanDerWaalsContact OH-CD1 3.32Å; Y572-I579 WeakPolarHBondContact OH-CD1 3.26Å; N576-I579 PolarHBondContact O-N 3.06Å; N576-I579 VanDerWaalsContact O-N 3.13Å; N576-I579 PolarHBondContact OD1-N 3.48Å; P577-I579 VanDerWaalsContact C-N 3.35Å; I579-E610 HydrophobicContact CD1-CG 4.35Å; I579-F617 HydrophobicContact CG2-CB 4.02Å; I579-F617 VanDerWaalsContact CG2-O 3.28Å; I579-F617 WeakPolarHBondContact CG2-O 3.36Å
580G87.6Confident90.3Very high10 Ų1031 Ų3110%0.10316%0.159CC..  trans66.6-129.8-177.100000111.3N576N576-G580 PolarHBondContact O-N 3.14Å
581Y90.3Very high90.4Very high12 Ų1230.3 Ų30.35%0.04715%0.154CC..  trans-115.4136.1172.8175.7-104.3000109.8E541 I542 D545 L569 M585 N586E541-Y581 HydrophobicContact CB-CD1 3.69Å; E541-Y581 HydrophobicContact CB-CE1 3.96Å; I542-Y581 HydrophobicContact CD1-CD2 4.03Å; I542-Y581 HydrophobicContact CD1-CG 4.09Å; I542-Y581 HydrophobicContact CG1-CD1 3.91Å; I542-Y581 HydrophobicContact CG1-CD2 3.42Å; I542-Y581 VanDerWaalsContact CG1-CD2 3.42Å; I542-Y581 HydrophobicContact CG1-CE1 4.22Å; I542-Y581 HydrophobicContact CG1-CE2 3.78Å; I542-Y581 HydrophobicContact CG1-CG 3.5Å; I542-Y581 VanDerWaalsContact CG1-CG 3.5Å; D545-Y581 WeakPolarHBondContact CB-OH 3.49Å; D545-Y581 VanDerWaalsContact CG-OH 3.31Å; D545-Y581 PolarHBondContact OD2-OH 3.11Å; L569-Y581 HydrophobicContact CD1-CE2 4.06Å; L569-Y581 HydrophobicContact CD2-CD2 4.33Å; L569-Y581 HydrophobicContact CD2-CE2 4.07Å; Y581-M585 HydrophobicContact CD2-CB 4.29Å; Y581-M585 HydrophobicContact CD2-SD 4.38Å; Y581-M585 HydrophobicContact CE2-CB 4.04Å; Y581-N586 HydrophobicContact CE2-CB 4.37Å; Y581-N586 WeakPolarHBondContact OH-CB 3.21Å; Y581-N586 PolarHBondContact OH-OD1 3.4Å
582C89.3Confident90.4Very high14 Ų1430.6 Ų30.610%0.09516%0.156CC..  trans-123.5131.9173.9-1790000109S584 M585 F617C582-S584 PolarHBondContact O-N 3.32Å; C582-M585 HydrophobicContact CB-CG 4.21Å; C582-M585 HydrophobicContact CB-SD 3.84Å; C582-M585 PolarHBondContact N-SD 3.46Å; C582-M585 VanDerWaalsContact O-CB 3.3Å; C582-M585 WeakPolarHBondContact O-CB 3.4Å; C582-M585 VanDerWaalsContact O-CG 3.27Å; C582-M585 WeakPolarHBondContact O-CG 3.44Å; C582-M585 PolarHBondContact O-N 3.36Å; C582-F617 HydrophobicContact CB-CB 3.79Å; C582-F617 HydrophobicContact CB-CD1 4.2Å; C582-F617 WeakPolarHBondContact CB-O 3.45Å
583Q84.3Confident90.5Very high121 Ų12130.7 Ų30.757%0.56516%0.157SC*.THydrogen-bonded Turntrans-56.8122.8174.2-178.2179.4-13.400109.5R548R548-Q583 VanDerWaalsContact NH2-NE2 3.14Å
584S89.2Confident90.6Very high8 Ų830.2 Ų30.26%0.05615%0.152CC..THydrogen-bonded Turntrans117.6-28.9-169.761.70000112.8C582 N586 I587 L588 F617C582-S584 PolarHBondContact O-N 3.32Å; S584-N586 PolarHBondContact N-OD1 3.29Å; S584-N586 PolarHBondContact O-N 3.11Å; S584-I587 PolarHBondContact O-N 3.2Å; S584-I587 VanDerWaalsContact O-N 3.15Å; S584-L588 PolarHBondContact O-N 3.46Å; S584-F617 WeakPolarHBondContact OG-CE1 3.46Å
585M93.7Very high90.8Very high1 Ų127 Ų271%0.00514%0.137CC..Hα-helixtrans-62.5-33.3177.7-70.617464.400112.5L569 Y572 Y581 C582 I587 L588 A589 L605 F617L569-M585 HydrophobicContact CD2-CB 4.11Å; Y572-M585 HydrophobicContact CD1-CE 3.25Å; Y572-M585 HydrophobicContact CE1-CE 3.34Å; Y572-M585 HydrophobicContact CE1-SD 4.47Å; Y572-M585 HydrophobicContact CG-CE 4.1Å; Y581-M585 HydrophobicContact CD2-CB 4.29Å; Y581-M585 HydrophobicContact CD2-SD 4.38Å; Y581-M585 HydrophobicContact CE2-CB 4.04Å; C582-M585 HydrophobicContact CB-CG 4.21Å; C582-M585 HydrophobicContact CB-SD 3.84Å; C582-M585 PolarHBondContact N-SD 3.46Å; C582-M585 VanDerWaalsContact O-CB 3.3Å; C582-M585 WeakPolarHBondContact O-CB 3.4Å; C582-M585 VanDerWaalsContact O-CG 3.27Å; C582-M585 WeakPolarHBondContact O-CG 3.44Å; C582-M585 PolarHBondContact O-N 3.36Å; M585-I587 VanDerWaalsContact C-N 3.31Å; M585-I587 PolarHBondContact O-N 2.8Å; M585-L588 PolarHBondContact O-N 2.89Å; M585-A589 VanDerWaalsContact O-CB 3.29Å; M585-A589 WeakPolarHBondContact O-CB 3.13Å; M585-A589 PolarHBondContact O-N 2.81Å; M585-L605 HydrophobicContact CE-CD1 4.44Å; M585-L605 HydrophobicContact CE-CD2 4.24Å; M585-F617 HydrophobicContact CG-CB 4.28Å; M585-F617 HydrophobicContact CG-CD1 3.61Å; M585-F617 HydrophobicContact CG-CE1 4.16Å; M585-F617 HydrophobicContact CG-CG 3.99Å; M585-F617 HydrophobicContact SD-CB 4.05Å; M585-F617 HydrophobicContact SD-CD1 4.46Å; M585-F617 HydrophobicContact SD-CG 4.38Å
586N94.3Very high91Very high5 Ų523.8 Ų23.83%0.02713%0.125CC..Hα-helixtrans-59.2-40.8175.462.2-51.3000112.5D545 S549 L569 Y581 S584 S590D545-N586 HydrophobicContact CB-CB 4.38Å; S549-N586 WeakPolarHBondContact OG-CB 3.26Å; S549-N586 PolarHBondContact OG-ND2 3.44Å; L569-N586 HydrophobicContact CD1-CB 3.95Å; Y581-N586 HydrophobicContact CE2-CB 4.37Å; Y581-N586 WeakPolarHBondContact OH-CB 3.21Å; Y581-N586 PolarHBondContact OH-OD1 3.4Å; S584-N586 PolarHBondContact N-OD1 3.29Å; S584-N586 PolarHBondContact O-N 3.11Å; N586-S590 VanDerWaalsContact O-CB 3.3Å; N586-S590 WeakPolarHBondContact O-CB 3.22Å; N586-S590 PolarHBondContact O-N 3Å; N586-S590 PolarHBondContact O-OG 2.88Å
587I93.8Very high91.4Very high27 Ų2727.1 Ų27.114%0.13814%0.139CC..Hα-helixtrans-66.3-45178.2-55.9-56.7000110.6S584 M585 S590 V591 L665S584-I587 PolarHBondContact O-N 3.2Å; S584-I587 VanDerWaalsContact O-N 3.15Å; M585-I587 VanDerWaalsContact C-N 3.31Å; M585-I587 PolarHBondContact O-N 2.8Å; I587-S590 PolarHBondContact O-N 2.7Å; I587-V591 PolarHBondContact O-N 2.65Å; I587-L665 HydrophobicContact CG2-CB 3.71Å; I587-L665 HydrophobicContact CG2-CD1 4.08Å
588L95.1Very high91.9Very high9 Ų922.3 Ų22.35%0.04711%0.107CC..Hα-helixtrans-62.1-53.6176.9-67.5167.7000111S584 M585 S590 V591 L592 V608 F617 L663 L665S584-L588 PolarHBondContact O-N 3.46Å; M585-L588 PolarHBondContact O-N 2.89Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 2.75Å; L588-V591 PolarHBondContact O-N 2.82Å; L588-V591 VanDerWaalsContact O-N 3.08Å; L588-L592 VanDerWaalsContact O-CG 3.31Å; L588-L592 WeakPolarHBondContact O-CG 3.41Å; L588-L592 PolarHBondContact O-N 2.82Å; L588-V608 HydrophobicContact CD1-CG1 4.42Å; L588-F617 HydrophobicContact CD1-CE1 3.77Å; L588-F617 HydrophobicContact CD1-CE2 4.35Å; L588-F617 HydrophobicContact CD1-CZ 3.39Å; L588-L663 HydrophobicContact CD2-CB 4.42Å; L588-L663 HydrophobicContact CD2-CD1 3.78Å; L588-L663 HydrophobicContact CD2-CG 4Å; L588-L665 HydrophobicContact CD2-CD1 3.76Å
589A96.6Very high92.8Very high0 Ų019.5 Ų19.50%010%0.096CC..Hα-helixtrans-58.9-38-179.300000112.3L565 V568 L569 M585 L592 L593 L605L565-A589 HydrophobicContact CD1-CB 3.65Å; V568-A589 HydrophobicContact CG1-CB 4.44Å; L569-A589 HydrophobicContact CD2-CB 3.71Å; L569-A589 HydrophobicContact CG-CB 4.24Å; M585-A589 VanDerWaalsContact O-CB 3.29Å; M585-A589 WeakPolarHBondContact O-CB 3.13Å; M585-A589 PolarHBondContact O-N 2.81Å; A589-L592 PolarHBondContact O-N 3.24Å; A589-L593 WeakPolarHBondContact O-CB 3.28Å; A589-L593 WeakPolarHBondContact O-CG 3.15Å; A589-L593 PolarHBondContact O-N 2.81Å; A589-L605 HydrophobicContact CB-CD2 4.32Å
590S95.1Very high93.4Very high0 Ų020.3 Ų20.30%010%0.099CC..Hα-helixtrans-58.2-49.1173.3-76.10000112.1S549 F556 L565 N586 I587 L588 L592 L593 L594S549-S590 WeakPolarHBondContact CB-OG 3.21Å; F556-S590 VanDerWaalsContact CZ-CA 3.43Å; F556-S590 VanDerWaalsContact CZ-CB 3.49Å; F556-S590 VanDerWaalsContact CZ-O 3.25Å; F556-S590 WeakPolarHBondContact CZ-O 3.37Å; L565-S590 VanDerWaalsContact CD2-OG 3.31Å; L565-S590 WeakPolarHBondContact CD2-OG 3.36Å; N586-S590 VanDerWaalsContact O-CB 3.3Å; N586-S590 WeakPolarHBondContact O-CB 3.22Å; N586-S590 PolarHBondContact O-N 3Å; N586-S590 PolarHBondContact O-OG 2.88Å; I587-S590 PolarHBondContact O-N 2.7Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 2.75Å; S590-L592 PolarHBondContact O-N 3.11Å; S590-L593 PolarHBondContact O-N 2.85Å; S590-L594 WeakPolarHBondContact O-CG 3.48Å; S590-L594 PolarHBondContact O-N 2.89Å
591V95.5Very high93.9Very high2 Ų219.8 Ų19.81%0.0129%0.094CC..Hα-helixtrans-65.3-39.2178.5176.10000111.9W507 L550 I587 L588 L593 L594 Y595 L665 F670 V674W507-V591 HydrophobicContact CH2-CG1 4.03Å; W507-V591 HydrophobicContact CZ3-CG1 4.43Å; L550-V591 HydrophobicContact CD1-CG2 3.81Å; I587-V591 PolarHBondContact O-N 2.65Å; L588-V591 PolarHBondContact O-N 2.82Å; L588-V591 VanDerWaalsContact O-N 3.08Å; V591-L593 VanDerWaalsContact C-N 3.33Å; V591-L593 PolarHBondContact O-N 2.96Å; V591-L594 WeakPolarHBondContact O-CB 3.18Å; V591-L594 PolarHBondContact O-N 2.84Å; V591-L594 VanDerWaalsContact O-N 3.17Å; V591-Y595 HydrophobicContact CG1-CD2 4.41Å; V591-Y595 HydrophobicContact CG1-CE2 4.32Å; V591-Y595 WeakPolarHBondContact O-CD2 3.39Å; V591-L665 HydrophobicContact CB-CD1 4.19Å; V591-L665 HydrophobicContact CG1-CD2 4.39Å; V591-L665 HydrophobicContact CG2-CD1 3.73Å; V591-L665 HydrophobicContact CG2-CD2 3.79Å; V591-L665 HydrophobicContact CG2-CG 4.35Å; V591-F670 HydrophobicContact CG2-CE2 4.29Å; V591-V674 HydrophobicContact CG1-CG2 4.35Å
592L96.9Very high94.2Very high6 Ų619.2 Ų19.23%0.0319%0.092CC..Hα-helixtrans-61.4-41.9176.9-61.7174.9000111.7W507 L588 A589 S590 L594 Y595 A596 A601 L604 L605 F681W507-L592 HydrophobicContact CE3-CD2 3.9Å; W507-L592 HydrophobicContact CZ3-CD2 3.97Å; L588-L592 VanDerWaalsContact O-CG 3.31Å; L588-L592 WeakPolarHBondContact O-CG 3.41Å; L588-L592 PolarHBondContact O-N 2.82Å; A589-L592 PolarHBondContact O-N 3.24Å; S590-L592 PolarHBondContact O-N 3.11Å; L592-L594 PolarHBondContact O-N 2.92Å; L592-Y595 PolarHBondContact O-N 2.76Å; L592-A596 WeakPolarHBondContact O-CB 3.46Å; L592-A596 PolarHBondContact O-N 2.83Å; L592-A601 HydrophobicContact CB-CB 3.93Å; L592-L604 HydrophobicContact CD1-CB 3.82Å; L592-L604 HydrophobicContact CD2-CB 4.01Å; L592-L604 HydrophobicContact CD2-CD1 3.98Å; L592-L604 HydrophobicContact CG-CB 4.39Å; L592-L605 HydrophobicContact CD1-CB 4.17Å; L592-F681 HydrophobicContact CD2-CE2 3.9Å; L592-F681 HydrophobicContact CD2-CZ 3.73Å
593L95.8Very high94.6Very high3 Ų318.6 Ų18.62%0.0169%0.087CC..Hα-helixtrans-66.4-20.3177.2-78.9168.3000114.1L446 F556 A564 L565 V568 A589 S590 V591 E598 A601L446-L593 WeakPolarHBondContact CB-O 3.47Å; L446-L593 HydrophobicContact CD1-CB 3.76Å; L446-L593 HydrophobicContact CG-CB 4.47Å; L446-L593 VanDerWaalsContact CG-O 3.3Å; L446-L593 WeakPolarHBondContact CG-O 3.46Å; L446-L593 PolarHBondContact N-O 3Å; L446-L593 VanDerWaalsContact N-O 3.1Å; F556-L593 HydrophobicContact CZ-CB 4.44Å; A564-L593 HydrophobicContact CB-CD1 4.32Å; A564-L593 HydrophobicContact CB-CD2 4.28Å; L565-L593 HydrophobicContact CB-CD1 4.02Å; L565-L593 HydrophobicContact CD1-CD1 4.06Å; V568-L593 HydrophobicContact CG2-CD1 4.4Å; V568-L593 HydrophobicContact CG2-CD2 4.1Å; A589-L593 WeakPolarHBondContact O-CB 3.28Å; A589-L593 WeakPolarHBondContact O-CG 3.15Å; A589-L593 PolarHBondContact O-N 2.81Å; S590-L593 PolarHBondContact O-N 2.85Å; V591-L593 VanDerWaalsContact C-N 3.33Å; V591-L593 PolarHBondContact O-N 2.96Å; L593-E598 HydrophobicContact CD2-CB 4.25Å; L593-E598 HydrophobicContact CD2-CG 4.15Å; L593-A601 HydrophobicContact CD2-CB 3.83Å; L593-A601 HydrophobicContact CG-CB 3.98Å
594L93.9Very high95.2Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-69.4-38.3175.1-68.5-179.5000111.7L446 M447 L550 H553 A555 F556 S590 V591 L592 F670L446-L594 HydrophobicContact CB-CD2 4.15Å; M447-L594 VanDerWaalsContact CB-O 3.22Å; M447-L594 WeakPolarHBondContact CB-O 3.49Å; M447-L594 HydrophobicContact CG-CB 3.73Å; M447-L594 HydrophobicContact CG-CD2 4.21Å; M447-L594 HydrophobicContact CG-CG 4.46Å; M447-L594 WeakPolarHBondContact CG-O 3.38Å; M447-L594 PolarHBondContact N-O 3.48Å; M447-L594 VanDerWaalsContact N-O 3.11Å; M447-L594 HydrophobicContact SD-CD2 4.37Å; L550-L594 HydrophobicContact CD1-CD1 4.14Å; H553-L594 WeakPolarHBondContact CE1-CD2 3.33Å; A555-L594 HydrophobicContact CB-CD2 3.73Å; F556-L594 HydrophobicContact CE2-CD1 4.43Å; F556-L594 HydrophobicContact CE2-CD2 3.82Å; F556-L594 HydrophobicContact CE2-CG 4.07Å; F556-L594 HydrophobicContact CZ-CD2 4.31Å; S590-L594 WeakPolarHBondContact O-CG 3.48Å; S590-L594 PolarHBondContact O-N 2.89Å; V591-L594 WeakPolarHBondContact O-CB 3.18Å; V591-L594 PolarHBondContact O-N 2.84Å; V591-L594 VanDerWaalsContact O-N 3.17Å; L592-L594 PolarHBondContact O-N 2.92Å; L594-F670 HydrophobicContact CD1-CE2 3.69Å; L594-F670 HydrophobicContact CD1-CZ 3.44Å; L594-F670 VanDerWaalsContact CD1-CZ 3.44Å
595Y94.6Very high95.6Very high16 Ų1612.5 Ų12.56%0.0636%0.058CC..Hα-helixtrans-112.6-15.2-169.8-60.8-73000114.8M447 E500 R503 G504 W507 V591 L592 F670 V674M447-Y595 HydrophobicContact CE-CE1 4.33Å; M447-Y595 HydrophobicContact CG-CE1 4.28Å; E500-Y595 HydrophobicContact CB-CE1 4.44Å; R503-Y595 HydrophobicContact CB-CD1 4.19Å; R503-Y595 HydrophobicContact CB-CG 4.15Å; R503-Y595 PolarHBondContact NH1-OH 3.06Å; G504-Y595 VanDerWaalsContact CA-O 3.27Å; G504-Y595 WeakPolarHBondContact CA-O 3.47Å; W507-Y595 AromaticContact CH2-CD2 3.46Å; W507-Y595 HydrophobicContact CH2-CD2 3.46Å; W507-Y595 VanDerWaalsContact CH2-CD2 3.46Å; W507-Y595 HydrophobicContact CH2-CE2 4.1Å; W507-Y595 HydrophobicContact CH2-CG 4.13Å; W507-Y595 HydrophobicContact CZ2-CD2 4.43Å; W507-Y595 AromaticContact CZ3-CD2 3.76Å; W507-Y595 HydrophobicContact CZ3-CD2 3.76Å; W507-Y595 HydrophobicContact CZ3-CG 4.23Å; V591-Y595 HydrophobicContact CG1-CD2 4.41Å; V591-Y595 HydrophobicContact CG1-CE2 4.32Å; V591-Y595 WeakPolarHBondContact O-CD2 3.39Å; L592-Y595 PolarHBondContact O-N 2.76Å; Y595-F670 HydrophobicContact CE2-CZ 4.27Å; Y595-V674 HydrophobicContact CE2-CG1 3.93Å; Y595-V674 HydrophobicContact CE2-CG2 3.94Å
596A94.9Very high95.6Very high1 Ų112.5 Ų12.51%0.0086%0.058CC..SBendtrans-119.8159.2178.400000111.3L592 E600 A601 L604L592-A596 WeakPolarHBondContact O-CB 3.46Å; L592-A596 PolarHBondContact O-N 2.83Å; A596-E600 HydrophobicContact CB-CB 3.93Å; A596-A601 HydrophobicContact CB-CB 4.38Å; A596-L604 HydrophobicContact CB-CD1 3.91Å
597K93.9Very high95.6Very high95 Ų9512.3 Ų12.341%0.4136%0.057SC..  trans-64.2160.7170.7-57.9-179.3-164.9115.10110.1S443 E599 E600 A601S443-K597 VanDerWaalsContact O-CD 3.31Å; S443-K597 WeakPolarHBondContact O-CD 3.19Å; K597-E599 PolarHBondContact O-N 3.41Å; K597-E600 HydrophobicContact CB-CB 4.31Å; K597-E600 HydrophobicContact CB-CG 4.07Å; K597-E600 WeakPolarHBondContact CG-OE2 3.34Å; K597-E600 PolarHBondContact N-OE2 2.85Å; K597-E600 IonicContact NZ-OE1 3.76Å; K597-E600 PolarHBondContact NZ-OE1 2.87Å; K597-E600 CarbonylContact O-C 3.51Å; K597-E600 WeakPolarHBondContact O-CB 3.44Å; K597-E600 PolarHBondContact O-N 3.14Å; K597-A601 WeakPolarHBondContact O-CB 3.44Å; K597-A601 PolarHBondContact O-N 2.81Å
598E94.9Very high95.7Very high1 Ų111.1 Ų11.11%0.0055%0.051CC..Hα-helixtrans-56.1-46.7-175.2-172.7-178.514200113.5V441 N442 Y524 A564 R567 V568 L593 A601 F602V441-E598 HydrophobicContact CG1-CB 3.94Å; V441-E598 HydrophobicContact CG1-CG 4.26Å; N442-E598 HydrophobicContact CB-CB 4.34Å; N442-E598 PolarHBondContact N-OE2 3.26Å; Y524-E598 HydrophobicContact CE1-CG 4.05Å; Y524-E598 WeakPolarHBondContact OH-CG 3.34Å; Y524-E598 PolarHBondContact OH-OE1 3.09Å; A564-E598 HydrophobicContact CB-CG 4.44Å; R567-E598 IonicContact CZ-OE1 2.99Å; R567-E598 IonicContact CZ-OE2 3.92Å; R567-E598 IonicContact NE-OE1 3.84Å; R567-E598 PolarHBondContact NE-OE1 3.38Å; R567-E598 IonicContact NE-OE2 3Å; R567-E598 IonicContact NH2-OE1 2.63Å; R567-E598 PolarHBondContact NH2-OE1 3.05Å; R567-E598 IonicContact NH2-OE2 3.83Å; R567-E598 PolarHBondContact NH2-OE2 2.81Å; V568-E598 HydrophobicContact CG2-CG 3.81Å; L593-E598 HydrophobicContact CD2-CB 4.25Å; L593-E598 HydrophobicContact CD2-CG 4.15Å; E598-A601 PolarHBondContact O-N 2.81Å; E598-F602 PolarHBondContact O-N 3.13Å; E598-F602 VanDerWaalsContact O-N 3.1Å
599E95.4Very high95.6Very high53 Ų5310.8 Ų10.825%0.2485%0.049CC..Hα-helixtrans-68.5-37.3176.7179.9167.8-158.400112.3L517 Y524 K597 F602 W603L517-E599 HydrophobicContact CD1-CG 4.2Å; Y524-E599 HydrophobicContact CD1-CB 3.84Å; Y524-E599 HydrophobicContact CD1-CG 4.09Å; Y524-E599 HydrophobicContact CE1-CB 4.48Å; Y524-E599 HydrophobicContact CG-CB 4.33Å; Y524-E599 HydrophobicContact CG-CG 4.14Å; K597-E599 PolarHBondContact O-N 3.41Å; E599-F602 WeakPolarHBondContact O-CB 3.26Å; E599-F602 PolarHBondContact O-N 2.95Å; E599-W603 PolarHBondContact O-N 3.31Å; E599-W603 VanDerWaalsContact O-N 3.1Å
600E96.2Very high95.2Very high42 Ų4212.9 Ų12.920%0.1966%0.059CC..Hα-helixtrans-64.4-42.3176-65.4168.8178.100110.6M508 L517 A596 K597 F602 W603 L604M508-E600 HydrophobicContact CE-CB 4.2Å; M508-E600 HydrophobicContact CE-CG 4.18Å; M508-E600 HydrophobicContact CG-CB 4.41Å; M508-E600 HydrophobicContact SD-CB 4Å; L517-E600 HydrophobicContact CD1-CG 3.96Å; A596-E600 HydrophobicContact CB-CB 3.93Å; K597-E600 HydrophobicContact CB-CB 4.31Å; K597-E600 HydrophobicContact CB-CG 4.07Å; K597-E600 WeakPolarHBondContact CG-OE2 3.34Å; K597-E600 PolarHBondContact N-OE2 2.85Å; K597-E600 IonicContact NZ-OE1 3.76Å; K597-E600 PolarHBondContact NZ-OE1 2.87Å; K597-E600 CarbonylContact O-C 3.51Å; K597-E600 WeakPolarHBondContact O-CB 3.44Å; K597-E600 PolarHBondContact O-N 3.14Å; E600-F602 VanDerWaalsContact C-N 3.3Å; E600-F602 PolarHBondContact O-N 3.44Å; E600-W603 PolarHBondContact O-N 2.84Å; E600-W603 VanDerWaalsContact O-N 3.14Å; E600-L604 WeakPolarHBondContact O-CG 3.43Å; E600-L604 PolarHBondContact O-N 3.36Å
601A97.6Very high95Very high0 Ų013.9 Ų13.90%06%0.063CC..Hα-helixtrans-61.6-37.5175.200000112L592 L593 A596 K597 E598 L604 L605L592-A601 HydrophobicContact CB-CB 3.93Å; L593-A601 HydrophobicContact CD2-CB 3.83Å; L593-A601 HydrophobicContact CG-CB 3.98Å; A596-A601 HydrophobicContact CB-CB 4.38Å; K597-A601 WeakPolarHBondContact O-CB 3.44Å; K597-A601 PolarHBondContact O-N 2.81Å; E598-A601 PolarHBondContact O-N 2.81Å; A601-L604 PolarHBondContact O-N 3.21Å; A601-L605 WeakPolarHBondContact O-CB 3.35Å; A601-L605 PolarHBondContact O-N 2.88Å
602F97.4Very high94.8Very high0 Ų014.3 Ų14.30%07%0.065CC..Hα-helixtrans-60.2-47.3171.1166.6-94.9000111.9Y523 Y524 L527 V568 A571 E598 E599 E600 L605 V606Y523-F602 HydrophobicContact CD1-CE1 4.34Å; Y523-F602 HydrophobicContact CE1-CE1 4.43Å; Y523-F602 HydrophobicContact CE1-CZ 4.33Å; Y524-F602 HydrophobicContact CD2-CB 3.71Å; Y524-F602 AromaticContact CD2-CD1 3.7Å; Y524-F602 HydrophobicContact CD2-CD1 3.7Å; Y524-F602 AromaticContact CD2-CD2 3.63Å; Y524-F602 HydrophobicContact CD2-CD2 3.63Å; Y524-F602 HydrophobicContact CD2-CE1 4.22Å; Y524-F602 HydrophobicContact CD2-CE2 4.14Å; Y524-F602 AromaticContact CD2-CG 3.38Å; Y524-F602 HydrophobicContact CD2-CG 3.38Å; Y524-F602 HydrophobicContact CD2-CZ 4.41Å; Y524-F602 HydrophobicContact CE2-CB 3.77Å; Y524-F602 AromaticContact CE2-CD2 3.82Å; Y524-F602 HydrophobicContact CE2-CD2 3.82Å; Y524-F602 AromaticContact CE2-CG 3.79Å; Y524-F602 HydrophobicContact CE2-CG 3.79Å; Y524-F602 HydrophobicContact CG-CB 4.41Å; Y524-F602 HydrophobicContact CG-CD1 4.24Å; Y524-F602 HydrophobicContact CG-CG 4.25Å; L527-F602 HydrophobicContact CD1-CE1 4.38Å; L527-F602 HydrophobicContact CD1-CE2 4.15Å; L527-F602 HydrophobicContact CD1-CZ 3.56Å; V568-F602 HydrophobicContact CG1-CB 4.28Å; V568-F602 HydrophobicContact CG2-CB 4.5Å; A571-F602 HydrophobicContact CB-CD2 4.27Å; A571-F602 HydrophobicContact CB-CE2 4.1Å; E598-F602 PolarHBondContact O-N 3.13Å; E598-F602 VanDerWaalsContact O-N 3.1Å; E599-F602 WeakPolarHBondContact O-CB 3.26Å; E599-F602 PolarHBondContact O-N 2.95Å; E600-F602 VanDerWaalsContact C-N 3.3Å; E600-F602 PolarHBondContact O-N 3.44Å; F602-L605 WeakPolarHBondContact O-CB 3.29Å; F602-L605 PolarHBondContact O-N 2.84Å; F602-V606 HydrophobicContact CD1-CG2 4.43Å; F602-V606 HydrophobicContact CE1-CG2 4Å; F602-V606 HydrophobicContact CE2-CG2 4.21Å; F602-V606 HydrophobicContact CZ-CG2 3.88Å; F602-V606 WeakPolarHBondContact O-CG2 3.27Å; F602-V606 PolarHBondContact O-N 3.42Å
603W96.6Very high94.6Very high1 Ų114 Ų140%0.0046%0.063CC..Hα-helixtrans-69.5-33.1179.1-73.1109.3000113.3A513 E516 L517 H520 Y523 E599 E600 V606 A607A513-W603 HydrophobicContact CB-CB 4.19Å; E516-W603 HydrophobicContact CB-CD2 4.5Å; E516-W603 HydrophobicContact CB-CE3 3.83Å; E516-W603 HydrophobicContact CB-CZ3 3.95Å; L517-W603 HydrophobicContact CB-CD2 4.48Å; L517-W603 HydrophobicContact CB-CG 4.05Å; H520-W603 HydrophobicContact CB-CH2 3.67Å; H520-W603 HydrophobicContact CB-CZ2 3.52Å; H520-W603 AromaticContact CG-CH2 3.75Å; H520-W603 AromaticContact ND1-CH2 3.86Å; Y523-W603 AromaticContact CD1-CH2 3.68Å; Y523-W603 HydrophobicContact CD1-CH2 3.68Å; Y523-W603 AromaticContact CD1-CZ2 3.64Å; Y523-W603 HydrophobicContact CD1-CZ2 3.64Å; Y523-W603 HydrophobicContact CE1-CH2 4.08Å; Y523-W603 HydrophobicContact CE1-CZ2 4.43Å; Y523-W603 HydrophobicContact CG-CZ2 4.38Å; E599-W603 PolarHBondContact O-N 3.31Å; E599-W603 VanDerWaalsContact O-N 3.1Å; E600-W603 PolarHBondContact O-N 2.84Å; E600-W603 VanDerWaalsContact O-N 3.14Å; W603-V606 HydrophobicContact CE3-CB 4.31Å; W603-V606 HydrophobicContact CE3-CG1 4.3Å; W603-V606 HydrophobicContact CE3-CG2 4.43Å; W603-V606 HydrophobicContact CZ3-CG1 4.42Å; W603-V606 PolarHBondContact O-N 3.37Å; W603-A607 WeakPolarHBondContact O-CB 2.95Å; W603-A607 PolarHBondContact O-N 3.23Å
604L97.8Very high94Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-62.1-44.2169.1-71.3172000111W507 M508 S511 A513 L592 A596 E600 A601 V606 A607 V608 F681W507-L604 HydrophobicContact CB-CD1 4.18Å; W507-L604 HydrophobicContact CB-CD2 4.01Å; W507-L604 HydrophobicContact CE3-CD1 4.36Å; M508-L604 HydrophobicContact CG-CD1 4.37Å; M508-L604 HydrophobicContact CG-CD2 4.2Å; M508-L604 HydrophobicContact CG-CG 4.32Å; M508-L604 HydrophobicContact SD-CD1 4.12Å; M508-L604 HydrophobicContact SD-CD2 3.68Å; M508-L604 HydrophobicContact SD-CG 3.55Å; M508-L604 VanDerWaalsContact SD-CG 3.55Å; S511-L604 WeakPolarHBondContact OG-CD2 3Å; A513-L604 HydrophobicContact CB-CD2 4.16Å; L592-L604 HydrophobicContact CD1-CB 3.82Å; L592-L604 HydrophobicContact CD2-CB 4.01Å; L592-L604 HydrophobicContact CD2-CD1 3.98Å; L592-L604 HydrophobicContact CG-CB 4.39Å; A596-L604 HydrophobicContact CB-CD1 3.91Å; E600-L604 WeakPolarHBondContact O-CG 3.43Å; E600-L604 PolarHBondContact O-N 3.36Å; A601-L604 PolarHBondContact O-N 3.21Å; L604-V606 VanDerWaalsContact C-N 3.33Å; L604-V606 PolarHBondContact O-N 3.33Å; L604-A607 PolarHBondContact O-N 3.31Å; L604-V608 VanDerWaalsContact O-CG2 3.28Å; L604-V608 WeakPolarHBondContact O-CG2 3.25Å; L604-V608 PolarHBondContact O-N 3.46Å; L604-F681 HydrophobicContact CD2-CE1 3.86Å; L604-F681 HydrophobicContact CD2-CZ 4.11Å
605L96.8Very high93.5Very high0 Ų015.6 Ų15.60%07%0.073CC..Hα-helixtrans-61.5-42.2176-17566000111.3V568 L569 Y572 M585 A589 L592 A601 F602 V608 C609V568-L605 HydrophobicContact CG1-CD2 3.98Å; L569-L605 HydrophobicContact CD2-CD2 4.21Å; Y572-L605 HydrophobicContact CD2-CD2 4.28Å; Y572-L605 HydrophobicContact CD2-CG 4.26Å; Y572-L605 HydrophobicContact CG-CD2 4.03Å; Y572-L605 HydrophobicContact CG-CG 4.44Å; M585-L605 HydrophobicContact CE-CD1 4.44Å; M585-L605 HydrophobicContact CE-CD2 4.24Å; A589-L605 HydrophobicContact CB-CD2 4.32Å; L592-L605 HydrophobicContact CD1-CB 4.17Å; A601-L605 WeakPolarHBondContact O-CB 3.35Å; A601-L605 PolarHBondContact O-N 2.88Å; F602-L605 WeakPolarHBondContact O-CB 3.29Å; F602-L605 PolarHBondContact O-N 2.84Å; L605-V608 PolarHBondContact O-N 2.88Å; L605-C609 WeakPolarHBondContact O-CB 3.41Å; L605-C609 PolarHBondContact O-N 2.87Å; L605-C609 PolarHBondContact O-SG 2.89Å; L605-C609 VanDerWaalsContact O-SG 3.39Å
606V94.8Very high93.3Very high1 Ų115 Ų151%0.0067%0.071CC..Hα-helixtrans-57.5-49.7172.7171.90000111.1Y572 F602 W603 L604 V608 C609 E610Y572-V606 HydrophobicContact CD2-CG2 3.83Å; Y572-V606 HydrophobicContact CE2-CG2 4.06Å; F602-V606 HydrophobicContact CD1-CG2 4.43Å; F602-V606 HydrophobicContact CE1-CG2 4Å; F602-V606 HydrophobicContact CE2-CG2 4.21Å; F602-V606 HydrophobicContact CZ-CG2 3.88Å; F602-V606 WeakPolarHBondContact O-CG2 3.27Å; F602-V606 PolarHBondContact O-N 3.42Å; W603-V606 HydrophobicContact CE3-CB 4.31Å; W603-V606 HydrophobicContact CE3-CG1 4.3Å; W603-V606 HydrophobicContact CE3-CG2 4.43Å; W603-V606 HydrophobicContact CZ3-CG1 4.42Å; W603-V606 PolarHBondContact O-N 3.37Å; L604-V606 VanDerWaalsContact C-N 3.33Å; L604-V606 PolarHBondContact O-N 3.33Å; V606-V608 VanDerWaalsContact C-N 3.34Å; V606-V608 PolarHBondContact O-N 2.92Å; V606-C609 PolarHBondContact O-N 3.38Å; V606-E610 HydrophobicContact CG1-CG 4.46Å; V606-E610 WeakPolarHBondContact O-CB 3.41Å; V606-E610 PolarHBondContact O-N 3.09Å
607A95.2Very high92.8Very high1 Ų115 Ų151%0.0087%0.07CC..Hα-helixtrans-62.1-40.2178.600000112.2A513 W603 L604 R611 M612A513-A607 HydrophobicContact CB-CB 4.3Å; W603-A607 WeakPolarHBondContact O-CB 2.95Å; W603-A607 PolarHBondContact O-N 3.23Å; L604-A607 PolarHBondContact O-N 3.31Å; A607-R611 VanDerWaalsContact O-CB 3.32Å; A607-R611 WeakPolarHBondContact O-CB 3.27Å; A607-R611 PolarHBondContact O-N 2.9Å; A607-M612 PolarHBondContact O-N 2.93Å
608V95.3Very high92Very high3 Ų310.8 Ų10.82%0.0185%0.053CC..Iπ-helixtrans-64.1-53.4177.3172.50000110.8L588 L604 L605 V606 M612 L613 F617 F680 F681L588-V608 HydrophobicContact CD1-CG1 4.42Å; L604-V608 VanDerWaalsContact O-CG2 3.28Å; L604-V608 WeakPolarHBondContact O-CG2 3.25Å; L604-V608 PolarHBondContact O-N 3.46Å; L605-V608 PolarHBondContact O-N 2.88Å; V606-V608 VanDerWaalsContact C-N 3.34Å; V606-V608 PolarHBondContact O-N 2.92Å; V608-M612 PolarHBondContact O-N 3.35Å; V608-L613 HydrophobicContact CG1-CD1 3.91Å; V608-L613 HydrophobicContact CG1-CG 4.37Å; V608-L613 WeakPolarHBondContact O-CB 3.37Å; V608-L613 PolarHBondContact O-N 2.88Å; V608-F617 HydrophobicContact CG1-CE2 4.16Å; V608-F680 HydrophobicContact CG2-CE1 4.05Å; V608-F681 HydrophobicContact CG2-CE1 3.93Å; V608-F681 HydrophobicContact CG2-CZ 3.89Å
609C92.3Very high91Very high1 Ų119.4 Ų19.41%0.0079%0.085CC..Iπ-helixtrans-77.8-34.1-171.1-630000114.3Y572 L605 V606 F617Y572-C609 HydrophobicContact CE1-CB 4.44Å; Y572-C609 HydrophobicContact CE2-CB 4.05Å; Y572-C609 WeakPolarHBondContact OH-CB 3.29Å; L605-C609 WeakPolarHBondContact O-CB 3.41Å; L605-C609 PolarHBondContact O-N 2.87Å; L605-C609 PolarHBondContact O-SG 2.89Å; L605-C609 VanDerWaalsContact O-SG 3.39Å; V606-C609 PolarHBondContact O-N 3.38Å; C609-F617 HydrophobicContact CB-CD2 3.88Å; C609-F617 HydrophobicContact CB-CE2 4.45Å; C609-F617 WeakPolarHBondContact SG-CD2 3.45Å
610E89.2Confident90.2Very high44 Ų4419.2 Ų19.221%0.2068%0.082CC..Iπ-helixtrans-96.1-21.4-174.7-59.4-172.7169.700113Y572 R575 N576 I579 V606Y572-E610 HydrophobicContact CE2-CG 4.44Å; R575-E610 IonicContact CZ-OE2 3.43Å; R575-E610 IonicContact NE-OE1 3.04Å; R575-E610 PolarHBondContact NE-OE1 3.46Å; R575-E610 IonicContact NE-OE2 2.79Å; R575-E610 IonicContact NH2-OE1 2.68Å; R575-E610 IonicContact NH2-OE2 3.25Å; R575-E610 PolarHBondContact NH2-OE2 2.96Å; N576-E610 WeakPolarHBondContact CB-OE1 3.49Å; N576-E610 PolarHBondContact ND2-OE1 3.28Å; I579-E610 HydrophobicContact CD1-CG 4.35Å; V606-E610 HydrophobicContact CG1-CG 4.46Å; V606-E610 WeakPolarHBondContact O-CB 3.41Å; V606-E610 PolarHBondContact O-N 3.09Å
611R89.7Confident89.7Confident22 Ų2218.5 Ų18.58%0.0838%0.081CC..Iπ-helixtrans-127.6-50-168.8177.4161.764136.7-20.3114.5R292 L293 S511 E516 A607R292-R611 WeakPolarHBondContact O-CD 3.31Å; R292-R611 WeakPolarHBondContact O-CG 3.43Å; R292-R611 PolarHBondContact O-NH1 2.95Å; L293-R611 WeakPolarHBondContact O-CG 3.45Å; S511-R611 PolarHBondContact O-NH1 2.85Å; S511-R611 PolarHBondContact O-NH2 3Å; E516-R611 IonicContact OE2-CZ 2.76Å; E516-R611 IonicContact OE2-NE 2.72Å; E516-R611 IonicContact OE2-NH2 2.73Å; E516-R611 PolarHBondContact OE2-NH2 2.74Å; A607-R611 VanDerWaalsContact O-CB 3.32Å; A607-R611 WeakPolarHBondContact O-CB 3.27Å; A607-R611 PolarHBondContact O-N 2.9Å
612M92.9Very high89.2Confident10 Ų1018.6 Ų18.65%0.0498%0.081CC..Iπ-helixtrans-84.5-34.4-174.5-61.4-178.370.100113.5A607 V608 P614 F680 F681A607-M612 PolarHBondContact O-N 2.93Å; V608-M612 PolarHBondContact O-N 3.35Å; M612-P614 VanDerWaalsContact C-CD 3.45Å; M612-F680 HydrophobicContact CB-CE1 4.47Å; M612-F680 HydrophobicContact CB-CE2 4.42Å; M612-F680 HydrophobicContact CB-CZ 3.71Å; M612-F680 HydrophobicContact CE-CD1 4.11Å; M612-F680 HydrophobicContact CE-CE1 3.62Å; M612-F680 HydrophobicContact CE-CE2 4.21Å; M612-F680 HydrophobicContact CE-CZ 3.68Å; M612-F680 WeakPolarHBondContact CE-O 3.08Å; M612-F680 HydrophobicContact SD-CE1 4.07Å; M612-F680 HydrophobicContact SD-CZ 4.19Å; M612-F681 HydrophobicContact CE-CD1 4.16Å; M612-F681 HydrophobicContact SD-CD1 3.97Å; M612-F681 HydrophobicContact SD-CE1 4.15Å
613L91.6Very high88.8Confident0 Ų018.9 Ų18.90%08%0.084CC..SBendtrans-126.462.4178.2-62.9-179.8000110.3V608 D615 Y616 F617 L663 F680 I685V608-L613 HydrophobicContact CG1-CD1 3.91Å; V608-L613 HydrophobicContact CG1-CG 4.37Å; V608-L613 WeakPolarHBondContact O-CB 3.37Å; V608-L613 PolarHBondContact O-N 2.88Å; L613-D615 PolarHBondContact O-N 3.36Å; L613-Y616 HydrophobicContact CB-CD1 3.82Å; L613-Y616 HydrophobicContact CB-CD2 4.22Å; L613-Y616 HydrophobicContact CB-CE1 4.36Å; L613-Y616 HydrophobicContact CB-CG 3.76Å; L613-Y616 HydrophobicContact CD1-CD1 3.89Å; L613-Y616 HydrophobicContact CD1-CE1 4.21Å; L613-Y616 HydrophobicContact CD2-CD1 4Å; L613-Y616 HydrophobicContact CD2-CE1 3.68Å; L613-Y616 HydrophobicContact CG-CD1 4.11Å; L613-Y616 HydrophobicContact CG-CE1 4.3Å; L613-Y616 WeakPolarHBondContact O-CB 3.4Å; L613-Y616 PolarHBondContact O-N 2.92Å; L613-F617 HydrophobicContact CB-CE2 4.01Å; L613-F617 HydrophobicContact CD1-CE2 3.99Å; L613-F617 HydrophobicContact CD1-CZ 4.05Å; L613-L663 HydrophobicContact CD1-CD2 3.94Å; L613-L663 HydrophobicContact CD1-CG 4.45Å; L613-F680 HydrophobicContact CD1-CE2 4.25Å; L613-F680 HydrophobicContact CD1-CZ 4.02Å; L613-F680 HydrophobicContact CD2-CE2 3.71Å; L613-F680 HydrophobicContact CD2-CZ 4.12Å; L613-F680 HydrophobicContact CG-CE2 3.92Å; L613-F680 HydrophobicContact CG-CZ 3.78Å; L613-I685 HydrophobicContact CD2-CB 4.16Å; L613-I685 HydrophobicContact CD2-CD1 3.52Å; L613-I685 HydrophobicContact CD2-CG1 4.07Å
614P82.3Confident88.6Confident24 Ų2418.8 Ų18.816%0.1568%0.084CC..THydrogen-bonded Turntrans-66.4144.1-174.529.9-35.7000111.3M612 Y616M612-P614 VanDerWaalsContact C-CD 3.45Å; P614-Y616 PolarHBondContact O-N 2.76Å
615D84.3Confident88.3Confident13 Ų1321.2 Ų21.27%0.0710%0.095CC..THydrogen-bonded Turntrans64.95.3177.4-38.5-53.9000114.2L261 R295 L613 N618 I622 G623L261-D615 HydrophobicContact CD2-CB 3.71Å; L261-D615 WeakPolarHBondContact CD2-OD2 3.36Å; R295-D615 IonicContact CZ-OD1 3.57Å; R295-D615 IonicContact CZ-OD2 2.93Å; R295-D615 IonicContact NH1-OD1 3.02Å; R295-D615 PolarHBondContact NH1-OD1 3.01Å; R295-D615 IonicContact NH1-OD2 2.65Å; R295-D615 PolarHBondContact NH1-OD2 3.26Å; R295-D615 IonicContact NH2-OD1 3.78Å; R295-D615 IonicContact NH2-OD2 3.33Å; R295-D615 PolarHBondContact NH2-OD2 2.7Å; L613-D615 PolarHBondContact O-N 3.36Å; D615-N618 PolarHBondContact O-ND2 3.49Å; D615-I622 PolarHBondContact O-N 3.47Å; D615-G623 PolarHBondContact O-N 2.8Å
616Y89.4Confident88.1Confident2 Ų221.3 Ų21.31%0.00810%0.095CC..SBendtrans-70.3-42.5175.4-90-139.9000112.4L613 P614 V621 G623 A624 D627 F660 I685L613-Y616 HydrophobicContact CB-CD1 3.82Å; L613-Y616 HydrophobicContact CB-CD2 4.22Å; L613-Y616 HydrophobicContact CB-CE1 4.36Å; L613-Y616 HydrophobicContact CB-CG 3.76Å; L613-Y616 HydrophobicContact CD1-CD1 3.89Å; L613-Y616 HydrophobicContact CD1-CE1 4.21Å; L613-Y616 HydrophobicContact CD2-CD1 4Å; L613-Y616 HydrophobicContact CD2-CE1 3.68Å; L613-Y616 HydrophobicContact CG-CD1 4.11Å; L613-Y616 HydrophobicContact CG-CE1 4.3Å; L613-Y616 WeakPolarHBondContact O-CB 3.4Å; L613-Y616 PolarHBondContact O-N 2.92Å; P614-Y616 PolarHBondContact O-N 2.76Å; Y616-V621 WeakPolarHBondContact O-CA 3.28Å; Y616-V621 WeakPolarHBondContact O-CB 3.37Å; Y616-V621 WeakPolarHBondContact O-CG1 3.4Å; Y616-G623 VanDerWaalsContact CE2-O 3.29Å; Y616-G623 WeakPolarHBondContact CE2-O 3.27Å; Y616-A624 HydrophobicContact CD1-CB 4.06Å; Y616-A624 HydrophobicContact CD2-CB 4.27Å; Y616-A624 VanDerWaalsContact CD2-N 3.33Å; Y616-A624 HydrophobicContact CE1-CB 4.26Å; Y616-A624 HydrophobicContact CE2-CB 4.44Å; Y616-A624 HydrophobicContact CG-CB 4.04Å; Y616-D627 HydrophobicContact CE2-CB 4.25Å; Y616-D627 WeakPolarHBondContact OH-CB 3.14Å; Y616-D627 PolarHBondContact OH-OD2 3.05Å; Y616-F660 HydrophobicContact CE1-CB 4.1Å; Y616-I685 HydrophobicContact CE1-CD1 4.34Å
617F85.2Confident88.1Confident1 Ų121.4 Ų21.40%0.00410%0.096CC..SBendtrans-101.615.3-171.2-55.7-73.6000112.8I579 C582 S584 M585 L588 V608 C609 L613I579-F617 HydrophobicContact CG2-CB 4.02Å; I579-F617 VanDerWaalsContact CG2-O 3.28Å; I579-F617 WeakPolarHBondContact CG2-O 3.36Å; C582-F617 HydrophobicContact CB-CB 3.79Å; C582-F617 HydrophobicContact CB-CD1 4.2Å; C582-F617 WeakPolarHBondContact CB-O 3.45Å; S584-F617 WeakPolarHBondContact OG-CE1 3.46Å; M585-F617 HydrophobicContact CG-CB 4.28Å; M585-F617 HydrophobicContact CG-CD1 3.61Å; M585-F617 HydrophobicContact CG-CE1 4.16Å; M585-F617 HydrophobicContact CG-CG 3.99Å; M585-F617 HydrophobicContact SD-CB 4.05Å; M585-F617 HydrophobicContact SD-CD1 4.46Å; M585-F617 HydrophobicContact SD-CG 4.38Å; L588-F617 HydrophobicContact CD1-CE1 3.77Å; L588-F617 HydrophobicContact CD1-CE2 4.35Å; L588-F617 HydrophobicContact CD1-CZ 3.39Å; V608-F617 HydrophobicContact CG1-CE2 4.16Å; C609-F617 HydrophobicContact CB-CD2 3.88Å; C609-F617 HydrophobicContact CB-CE2 4.45Å; C609-F617 WeakPolarHBondContact SG-CD2 3.45Å; L613-F617 HydrophobicContact CB-CE2 4.01Å; L613-F617 HydrophobicContact CD1-CE2 3.99Å; L613-F617 HydrophobicContact CD1-CZ 4.05Å
618N77.1Confident88Confident8 Ų822.9 Ų22.94%0.04310%0.103CC..SBendtrans-72.8163168.870.633.7000109.9D615 R620 V621 I622D615-N618 PolarHBondContact O-ND2 3.49Å; N618-R620 PolarHBondContact O-N 2.73Å; N618-R620 PolarHBondContact OD1-N 2.92Å; N618-R620 VanDerWaalsContact OD1-N 3.11Å; N618-V621 PolarHBondContact O-N 3.37Å; N618-V621 WeakPolarHBondContact OD1-CA 3.2Å; N618-V621 PolarHBondContact OD1-N 2.72Å; N618-I622 PolarHBondContact OD1-N 3.33Å
619R75Confident87.8Confident181 Ų18123.9 Ų23.968%0.68311%0.11SC*.THydrogen-bonded Turntrans-53.1-25.6-178.2-70.8-175.7177.6168.80.6114.7E856R619-E856 IonicContact NH1-OE2 3.4Å; R619-E856 PolarHBondContact NH1-OE2 3.14Å
620R77.7Confident87.9Confident50 Ų5023.9 Ų23.919%0.18911%0.11CC..THydrogen-bonded Turntrans-100.9-0.8-177.6-67-165.8-85-171.33.9113.3L256 D257 N618 I622L256-R620 PolarHBondContact O-NH2 3.4Å; D257-R620 IonicContact OD1-CZ 3.99Å; D257-R620 IonicContact OD1-NH2 3.2Å; D257-R620 PolarHBondContact OD1-NH2 3.1Å; N618-R620 PolarHBondContact O-N 2.73Å; N618-R620 PolarHBondContact OD1-N 2.92Å; N618-R620 VanDerWaalsContact OD1-N 3.11Å; R620-I622 HydrophobicContact CB-CD1 3.61Å; R620-I622 HydrophobicContact CB-CG1 3.76Å; R620-I622 PolarHBondContact O-N 3.07Å; R620-I622 VanDerWaalsContact O-N 3.08Å
621V86.6Confident88.2Confident27 Ų2721.8 Ų21.816%0.16410%0.1CC..  trans44.337.8-176.3-60.70000113.7Y616 N618 G623 A624 Q625 L661Y616-V621 WeakPolarHBondContact O-CA 3.28Å; Y616-V621 WeakPolarHBondContact O-CB 3.37Å; Y616-V621 WeakPolarHBondContact O-CG1 3.4Å; N618-V621 PolarHBondContact O-N 3.37Å; N618-V621 WeakPolarHBondContact OD1-CA 3.2Å; N618-V621 PolarHBondContact OD1-N 2.72Å; V621-G623 VanDerWaalsContact C-N 3.33Å; V621-G623 PolarHBondContact O-N 3.17Å; V621-A624 HydrophobicContact CB-CB 4.39Å; V621-A624 PolarHBondContact O-N 3.43Å; V621-A624 VanDerWaalsContact O-N 3.11Å; V621-Q625 HydrophobicContact CG2-CG 4.19Å; V621-Q625 PolarHBondContact O-N 2.79Å; V621-Q625 VanDerWaalsContact O-N 3.07Å; V621-L661 HydrophobicContact CG1-CD2 4.37Å
622I86.3Confident88.4Confident1 Ų122.6 Ų22.61%0.00511%0.105CC..Hα-helixtrans-58.2-44.8-169.4-59-63.4000111.4L261 D615 N618 R620 A624 Q625 V626 V787 L788 H791L261-I622 HydrophobicContact CD1-CG2 4.11Å; D615-I622 PolarHBondContact O-N 3.47Å; N618-I622 PolarHBondContact OD1-N 3.33Å; R620-I622 HydrophobicContact CB-CD1 3.61Å; R620-I622 HydrophobicContact CB-CG1 3.76Å; R620-I622 PolarHBondContact O-N 3.07Å; R620-I622 VanDerWaalsContact O-N 3.08Å; I622-A624 VanDerWaalsContact C-N 3.31Å; I622-A624 PolarHBondContact O-N 2.86Å; I622-Q625 PolarHBondContact O-N 3.35Å; I622-V626 HydrophobicContact CG2-CG2 4.24Å; I622-V626 VanDerWaalsContact O-CG2 3.28Å; I622-V626 WeakPolarHBondContact O-CG2 3.47Å; I622-V626 PolarHBondContact O-N 3.39Å; I622-V787 HydrophobicContact CD1-CG1 4.42Å; I622-V787 HydrophobicContact CG2-CG1 4.18Å; I622-L788 HydrophobicContact CD1-CD2 4.46Å; I622-L788 HydrophobicContact CG2-CD2 4.26Å; I622-H791 VanDerWaalsContact CD1-CD2 3.46Å; I622-H791 WeakPolarHBondContact CD1-CD2 3.34Å; I622-H791 VanDerWaalsContact CD1-NE2 3.32Å; I622-H791 WeakPolarHBondContact CD1-NE2 3.36Å
623G89.4Confident88.4Confident6 Ų624.1 Ų24.16%0.06211%0.112CC..Hα-helixtrans-60.8-41.2-179.900000112.3D615 Y616 V621 V626 D627D615-G623 PolarHBondContact O-N 2.8Å; Y616-G623 VanDerWaalsContact CE2-O 3.29Å; Y616-G623 WeakPolarHBondContact CE2-O 3.27Å; V621-G623 VanDerWaalsContact C-N 3.33Å; V621-G623 PolarHBondContact O-N 3.17Å; G623-V626 PolarHBondContact O-N 3.11Å; G623-D627 PolarHBondContact O-N 2.58Å
624A91.7Very high88.6Confident0 Ų024.1 Ų24.10%011%0.112CC..Hα-helixtrans-68.6-38.7179.600000111.8Y616 V621 I622 D627 Q628 L657 L661Y616-A624 HydrophobicContact CD1-CB 4.06Å; Y616-A624 HydrophobicContact CD2-CB 4.27Å; Y616-A624 VanDerWaalsContact CD2-N 3.33Å; Y616-A624 HydrophobicContact CE1-CB 4.26Å; Y616-A624 HydrophobicContact CE2-CB 4.44Å; Y616-A624 HydrophobicContact CG-CB 4.04Å; V621-A624 HydrophobicContact CB-CB 4.39Å; V621-A624 PolarHBondContact O-N 3.43Å; V621-A624 VanDerWaalsContact O-N 3.11Å; I622-A624 VanDerWaalsContact C-N 3.31Å; I622-A624 PolarHBondContact O-N 2.86Å; A624-D627 PolarHBondContact O-N 2.69Å; A624-Q628 WeakPolarHBondContact O-CB 3.39Å; A624-Q628 PolarHBondContact O-N 3.41Å; A624-L657 HydrophobicContact CB-CD1 3.8Å; A624-L661 HydrophobicContact CB-CD2 3.72Å; A624-L661 HydrophobicContact CB-CG 4.17Å
625Q91.3Very high89.1Confident51 Ų5123 Ų2324%0.23810%0.104CC..Hα-helixtrans-70.5-32.3175.1-69.9179.7-18.400113.1V621 I622 Q628 S629 V787 H791V621-Q625 HydrophobicContact CG2-CG 4.19Å; V621-Q625 PolarHBondContact O-N 2.79Å; V621-Q625 VanDerWaalsContact O-N 3.07Å; I622-Q625 PolarHBondContact O-N 3.35Å; Q625-Q628 WeakPolarHBondContact O-CB 3.21Å; Q625-S629 PolarHBondContact O-N 2.93Å; Q625-S629 PolarHBondContact O-OG 2.82Å; Q625-V787 HydrophobicContact CB-CG1 3.91Å; Q625-V787 HydrophobicContact CB-CG2 4.41Å; Q625-H791 PolarHBondContact OE1-NE2 3.43Å
626V92.3Very high89.5Confident1 Ų126.5 Ų26.51%0.00612%0.117CC..Hα-helixtrans-61.9-48.6169.7170.30000109.4I622 G623 Q628 S629 V630 R780 R784 V787I622-V626 HydrophobicContact CG2-CG2 4.24Å; I622-V626 VanDerWaalsContact O-CG2 3.28Å; I622-V626 WeakPolarHBondContact O-CG2 3.47Å; I622-V626 PolarHBondContact O-N 3.39Å; G623-V626 PolarHBondContact O-N 3.11Å; V626-Q628 VanDerWaalsContact C-N 3.34Å; V626-Q628 PolarHBondContact O-N 2.89Å; V626-S629 CarbonylContact O-C 3.58Å; V626-S629 WeakPolarHBondContact O-CA 3.28Å; V626-S629 WeakPolarHBondContact O-CB 3.43Å; V626-S629 PolarHBondContact O-N 3.04Å; V626-V630 HydrophobicContact CG1-CG2 4.35Å; V626-V630 VanDerWaalsContact O-CG2 3.31Å; V626-V630 WeakPolarHBondContact O-CG2 3.37Å; V626-V630 PolarHBondContact O-N 3.34Å; V626-R780 HydrophobicContact CG1-CB 4.01Å; V626-R780 HydrophobicContact CG1-CG 4.02Å; V626-R784 HydrophobicContact CG1-CB 4.46Å; V626-R784 HydrophobicContact CG2-CB 3.85Å; V626-R784 HydrophobicContact CG2-CG 4.02Å; V626-V787 HydrophobicContact CG2-CB 4.02Å; V626-V787 HydrophobicContact CG2-CG1 4.28Å; V626-V787 HydrophobicContact CG2-CG2 3.91Å
627D94.2Very high89.7Confident3 Ų329.9 Ų29.92%0.01613%0.132CC..Hα-helixtrans-70.3-29.9-179.1-86.123.4000113.3Y616 G623 A624 S629 V630 F631 F689 R780Y616-D627 HydrophobicContact CE2-CB 4.25Å; Y616-D627 WeakPolarHBondContact OH-CB 3.14Å; Y616-D627 PolarHBondContact OH-OD2 3.05Å; G623-D627 PolarHBondContact O-N 2.58Å; A624-D627 PolarHBondContact O-N 2.69Å; D627-S629 VanDerWaalsContact C-N 3.35Å; D627-V630 WeakPolarHBondContact O-CB 3.18Å; D627-V630 PolarHBondContact O-N 2.78Å; D627-F631 WeakPolarHBondContact O-CB 3.4Å; D627-F631 PolarHBondContact O-N 2.63Å; D627-F689 HydrophobicContact CB-CE1 4.43Å; D627-F689 HydrophobicContact CB-CE2 4.47Å; D627-F689 HydrophobicContact CB-CZ 3.67Å; D627-F689 WeakPolarHBondContact O-CE1 3.43Å; D627-F689 WeakPolarHBondContact OD2-CE2 3.42Å; D627-F689 WeakPolarHBondContact OD2-CZ 3.31Å; D627-R780 WeakPolarHBondContact OD1-CG 3.31Å; D627-R780 IonicContact OD1-CZ 3.35Å; D627-R780 IonicContact OD1-NE 3.07Å; D627-R780 PolarHBondContact OD1-NE 3.35Å; D627-R780 IonicContact OD1-NH2 3.76Å; D627-R780 IonicContact OD2-CZ 3.46Å; D627-R780 IonicContact OD2-NE 2.65Å; D627-R780 PolarHBondContact OD2-NE 3.25Å; D627-R780 IonicContact OD2-NH2 2.71Å; D627-R780 PolarHBondContact OD2-NH2 3.08Å
628Q93.6Very high90.1Very high32 Ų3233 Ų3315%0.1514%0.144CC..Hα-helixtrans-56.9-48.3165174.4-175.91100110.9A624 Q625 V626 V630 F631 E632 S653 L657A624-Q628 WeakPolarHBondContact O-CB 3.39Å; A624-Q628 PolarHBondContact O-N 3.41Å; Q625-Q628 WeakPolarHBondContact O-CB 3.21Å; V626-Q628 VanDerWaalsContact C-N 3.34Å; V626-Q628 PolarHBondContact O-N 2.89Å; Q628-V630 VanDerWaalsContact C-N 3.33Å; Q628-V630 PolarHBondContact O-N 3.35Å; Q628-F631 WeakPolarHBondContact O-CB 3.45Å; Q628-F631 PolarHBondContact O-N 3.33Å; Q628-E632 PolarHBondContact O-N 2.87Å; Q628-S653 WeakPolarHBondContact CG-O 3.47Å; Q628-S653 WeakPolarHBondContact CG-OG 3.32Å; Q628-S653 PolarHBondContact NE2-O 3.46Å; Q628-S653 PolarHBondContact O-OG 3.11Å; Q628-L657 HydrophobicContact CB-CD1 4.48Å
629S92.4Very high90.9Very high25 Ų2533.1 Ų33.118%0.17515%0.145CC..Hα-helixtrans-67-33.7177.2-58.30000112.9Q625 V626 D627 E633 H783Q625-S629 PolarHBondContact O-N 2.93Å; Q625-S629 PolarHBondContact O-OG 2.82Å; V626-S629 CarbonylContact O-C 3.58Å; V626-S629 WeakPolarHBondContact O-CA 3.28Å; V626-S629 WeakPolarHBondContact O-CB 3.43Å; V626-S629 PolarHBondContact O-N 3.04Å; D627-S629 VanDerWaalsContact C-N 3.35Å; S629-E633 PolarHBondContact O-N 3.49Å; S629-H783 WeakPolarHBondContact CB-ND1 3.31Å; S629-H783 PolarHBondContact O-CE1 2.88Å
630V94.3Very high91.7Very high0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-64.5-43171.9172.10000110V626 D627 Q628 E632 E633 L634 F689 L779 R780V626-V630 HydrophobicContact CG1-CG2 4.35Å; V626-V630 VanDerWaalsContact O-CG2 3.31Å; V626-V630 WeakPolarHBondContact O-CG2 3.37Å; V626-V630 PolarHBondContact O-N 3.34Å; D627-V630 WeakPolarHBondContact O-CB 3.18Å; D627-V630 PolarHBondContact O-N 2.78Å; Q628-V630 VanDerWaalsContact C-N 3.33Å; Q628-V630 PolarHBondContact O-N 3.35Å; V630-E632 VanDerWaalsContact C-N 3.34Å; V630-E632 PolarHBondContact O-N 3.49Å; V630-E633 PolarHBondContact O-N 3.25Å; V630-L634 HydrophobicContact CG1-CD1 4Å; V630-L634 HydrophobicContact CG1-CG 4.3Å; V630-L634 WeakPolarHBondContact O-CG 3.33Å; V630-L634 PolarHBondContact O-N 3.49Å; V630-F689 HydrophobicContact CB-CE1 4.11Å; V630-F689 HydrophobicContact CB-CZ 4.05Å; V630-F689 HydrophobicContact CG1-CE1 3.82Å; V630-F689 HydrophobicContact CG1-CZ 3.76Å; V630-L779 HydrophobicContact CB-CB 4.36Å; V630-L779 HydrophobicContact CG1-CB 3.86Å; V630-L779 HydrophobicContact CG1-CD1 3.93Å; V630-L779 HydrophobicContact CG2-CB 3.84Å; V630-R780 HydrophobicContact CG2-CG 4.01Å
631F95.6Very high92.3Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-62-43.8178.8-171.9-127.5000111.4D627 Q628 E633 L634 I635 S656 W659 F660 F689 L693 L696D627-F631 WeakPolarHBondContact O-CB 3.4Å; D627-F631 PolarHBondContact O-N 2.63Å; Q628-F631 WeakPolarHBondContact O-CB 3.45Å; Q628-F631 PolarHBondContact O-N 3.33Å; F631-E633 VanDerWaalsContact C-N 3.3Å; F631-E633 PolarHBondContact O-N 3.43Å; F631-L634 CarbonylContact O-C 3.42Å; F631-L634 WeakPolarHBondContact O-CB 3.03Å; F631-L634 PolarHBondContact O-N 2.92Å; F631-L634 VanDerWaalsContact O-N 3.1Å; F631-I635 HydrophobicContact CD1-CD1 3.93Å; F631-I635 HydrophobicContact CE1-CD1 3.86Å; F631-I635 HydrophobicContact CE1-CG1 4.44Å; F631-I635 HydrophobicContact CG-CD1 4.45Å; F631-I635 HydrophobicContact CZ-CD1 4.32Å; F631-I635 HydrophobicContact CZ-CG1 4.44Å; F631-I635 VanDerWaalsContact O-CG1 3.3Å; F631-I635 WeakPolarHBondContact O-CG1 3.2Å; F631-I635 PolarHBondContact O-N 2.8Å; F631-S656 VanDerWaalsContact CD1-OG 3.31Å; F631-S656 WeakPolarHBondContact CD1-OG 3.49Å; F631-W659 HydrophobicContact CE1-CZ3 4.22Å; F631-W659 HydrophobicContact CZ-CZ3 4.27Å; F631-F660 HydrophobicContact CB-CE2 3.93Å; F631-F660 HydrophobicContact CB-CZ 3.83Å; F631-F660 HydrophobicContact CD1-CE2 4.11Å; F631-F660 HydrophobicContact CD1-CZ 4.36Å; F631-F660 HydrophobicContact CD2-CZ 4.08Å; F631-F660 AromaticContact CG-CE2 3.99Å; F631-F660 HydrophobicContact CG-CE2 3.99Å; F631-F660 AromaticContact CG-CZ 3.85Å; F631-F660 HydrophobicContact CG-CZ 3.85Å; F631-F689 HydrophobicContact CB-CD1 4.17Å; F631-F689 HydrophobicContact CB-CE1 3.88Å; F631-F689 AromaticContact CD2-CD1 3.89Å; F631-F689 HydrophobicContact CD2-CD1 3.89Å; F631-F689 HydrophobicContact CD2-CE1 4.46Å; F631-F689 HydrophobicContact CG-CD1 4.46Å; F631-L693 HydrophobicContact CD2-CD2 4.4Å; F631-L693 HydrophobicContact CE2-CD2 3.88Å; F631-L693 HydrophobicContact CE2-CG 3.9Å; F631-L696 HydrophobicContact CE1-CD1 3.72Å; F631-L696 HydrophobicContact CZ-CD1 3.52Å; F631-L696 HydrophobicContact CZ-CG 4.2Å
632E93.7Very high92.5Very high40 Ų4031.3 Ų31.319%0.18715%0.15CC..Hα-helixtrans-56.4-42.2174-165.2-172.1120.100112.6Q628 V630 I635 R636 L649Q628-E632 PolarHBondContact O-N 2.87Å; V630-E632 VanDerWaalsContact C-N 3.34Å; V630-E632 PolarHBondContact O-N 3.49Å; E632-I635 PolarHBondContact O-N 3.04Å; E632-R636 PolarHBondContact O-N 3.2Å; E632-R636 IonicContact OE1-CZ 3.25Å; E632-R636 IonicContact OE1-NH1 3.2Å; E632-R636 PolarHBondContact OE1-NH1 3.46Å; E632-R636 IonicContact OE1-NH2 2.71Å; E632-R636 PolarHBondContact OE1-NH2 3.4Å; E632-L649 HydrophobicContact CG-CB 3.79Å; E632-L649 HydrophobicContact CG-CD1 4.45Å
633E92.8Very high92.7Very high41 Ų4132.3 Ų32.319%0.19216%0.159CC..Hα-helixtrans-67.9-40.9174.7-164.668.4-170.900111.8S629 V630 F631 I635 R636 E637 L779 H783S629-E633 PolarHBondContact O-N 3.49Å; V630-E633 PolarHBondContact O-N 3.25Å; F631-E633 VanDerWaalsContact C-N 3.3Å; F631-E633 PolarHBondContact O-N 3.43Å; E633-I635 VanDerWaalsContact C-N 3.3Å; E633-I635 PolarHBondContact O-N 2.98Å; E633-R636 WeakPolarHBondContact O-CB 3.44Å; E633-R636 PolarHBondContact O-N 3.37Å; E633-R636 VanDerWaalsContact O-N 3.14Å; E633-R636 IonicContact OE2-CZ 2.78Å; E633-R636 IonicContact OE2-NH1 3.6Å; E633-R636 PolarHBondContact OE2-NH1 3.49Å; E633-E637 WeakPolarHBondContact O-CG 3.38Å; E633-E637 PolarHBondContact O-N 2.82Å; E633-L779 HydrophobicContact CG-CD2 4.05Å; E633-H783 IonicContact OE2-CE1 3.69Å
634L95.1Very high92.6Very high0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-63.7-34.4175.9-70.1174.4000112.4V630 F631 R636 E637 R638 F689 L693 L771 L779V630-L634 HydrophobicContact CG1-CD1 4Å; V630-L634 HydrophobicContact CG1-CG 4.3Å; V630-L634 WeakPolarHBondContact O-CG 3.33Å; V630-L634 PolarHBondContact O-N 3.49Å; F631-L634 CarbonylContact O-C 3.42Å; F631-L634 WeakPolarHBondContact O-CB 3.03Å; F631-L634 PolarHBondContact O-N 2.92Å; F631-L634 VanDerWaalsContact O-N 3.1Å; L634-R636 VanDerWaalsContact C-N 3.35Å; L634-E637 PolarHBondContact O-N 3.37Å; L634-R638 VanDerWaalsContact O-CB 3.29Å; L634-R638 WeakPolarHBondContact O-CB 3.39Å; L634-R638 PolarHBondContact O-N 3.45Å; L634-F689 HydrophobicContact CD1-CB 4.26Å; L634-F689 HydrophobicContact CD1-CD1 3.62Å; L634-F689 HydrophobicContact CD1-CE1 4.11Å; L634-F689 HydrophobicContact CD1-CG 4.04Å; L634-L693 HydrophobicContact CB-CD1 4.36Å; L634-L693 HydrophobicContact CB-CD2 4.29Å; L634-L771 HydrophobicContact CD1-CD1 4.22Å; L634-L771 HydrophobicContact CD1-CD2 4.21Å; L634-L771 HydrophobicContact CD2-CD1 3.68Å; L634-L779 HydrophobicContact CD2-CD1 3.87Å; L634-L779 HydrophobicContact CG-CD1 4.13Å
635I94Very high92.4Very high0 Ų045.3 Ų45.30%022%0.218CC..Hα-helixtrans-60.7-46.2172.5-66.3164.1000109.7F631 E632 E633 E637 L639 L649 L693 L696F631-I635 HydrophobicContact CD1-CD1 3.93Å; F631-I635 HydrophobicContact CE1-CD1 3.86Å; F631-I635 HydrophobicContact CE1-CG1 4.44Å; F631-I635 HydrophobicContact CG-CD1 4.45Å; F631-I635 HydrophobicContact CZ-CD1 4.32Å; F631-I635 HydrophobicContact CZ-CG1 4.44Å; F631-I635 VanDerWaalsContact O-CG1 3.3Å; F631-I635 WeakPolarHBondContact O-CG1 3.2Å; F631-I635 PolarHBondContact O-N 2.8Å; E632-I635 PolarHBondContact O-N 3.04Å; E633-I635 VanDerWaalsContact C-N 3.3Å; E633-I635 PolarHBondContact O-N 2.98Å; I635-E637 VanDerWaalsContact C-N 3.34Å; I635-E637 PolarHBondContact O-N 2.88Å; I635-L639 HydrophobicContact CG2-CB 4.36Å; I635-L639 CarbonylContact O-C 3.57Å; I635-L639 VanDerWaalsContact O-C 3.23Å; I635-L639 VanDerWaalsContact O-CA 3.28Å; I635-L639 WeakPolarHBondContact O-CA 3.48Å; I635-L639 WeakPolarHBondContact O-CB 3.36Å; I635-L639 PolarHBondContact O-N 2.87Å; I635-L649 HydrophobicContact CB-CD1 4.39Å; I635-L649 HydrophobicContact CG2-CD1 4.02Å; I635-L649 HydrophobicContact CG2-CD2 3.87Å; I635-L693 HydrophobicContact CG1-CD2 4.1Å; I635-L696 HydrophobicContact CD1-CD1 3.4Å; I635-L696 VanDerWaalsContact CD1-CD1 3.4Å; I635-L696 HydrophobicContact CG1-CD1 3.62Å
636R92.3Very high92Very high88 Ų8844 Ų4433%0.33221%0.214SC..Hα-helixtrans-61.9-41.8176.1-64.2179.8-173.496.813112.5E632 E633 L634 A643 L649E632-R636 PolarHBondContact O-N 3.2Å; E632-R636 IonicContact OE1-CZ 3.25Å; E632-R636 IonicContact OE1-NH1 3.2Å; E632-R636 PolarHBondContact OE1-NH1 3.46Å; E632-R636 IonicContact OE1-NH2 2.71Å; E632-R636 PolarHBondContact OE1-NH2 3.4Å; E633-R636 WeakPolarHBondContact O-CB 3.44Å; E633-R636 PolarHBondContact O-N 3.37Å; E633-R636 VanDerWaalsContact O-N 3.14Å; E633-R636 IonicContact OE2-CZ 2.78Å; E633-R636 IonicContact OE2-NH1 3.6Å; E633-R636 PolarHBondContact OE2-NH1 3.49Å; L634-R636 VanDerWaalsContact C-N 3.35Å; R636-A643 HydrophobicContact CG-CB 4.33Å; R636-L649 HydrophobicContact CG-CD1 3.58Å
637E92.3Very high90.9Very high72 Ų7250.3 Ų50.334%0.33626%0.255SS..Hα-helixtrans-76.4-31.3-176.3-66.7-174.5177.300113.4E633 L634 I635 H775E633-E637 WeakPolarHBondContact O-CG 3.38Å; E633-E637 PolarHBondContact O-N 2.82Å; L634-E637 PolarHBondContact O-N 3.37Å; I635-E637 VanDerWaalsContact C-N 3.34Å; I635-E637 PolarHBondContact O-N 2.88Å; E637-H775 IonicContact OE1-CE1 2.7Å; E637-H775 IonicContact OE1-NE2 2.9Å; E637-H775 PolarHBondContact OE1-NE2 2.59Å; E637-H775 IonicContact OE2-CD2 2.87Å; E637-H775 IonicContact OE2-CE1 2.71Å; E637-H775 IonicContact OE2-NE2 3.64Å; E637-H775 PolarHBondContact OE2-NE2 2.78Å
638R94.1Very high90.4Very high66 Ų6654.5 Ų54.525%0.24928%0.277CS..Hα-helixtrans-113.5-22.7-170.5-61.9-60.9-175.4-76.1-0.1114.4L634 L693 F768 D770L634-R638 VanDerWaalsContact O-CB 3.29Å; L634-R638 WeakPolarHBondContact O-CB 3.39Å; L634-R638 PolarHBondContact O-N 3.45Å; R638-L693 HydrophobicContact CB-CD1 4.33Å; R638-L693 HydrophobicContact CG-CD1 4.36Å; R638-F768 HydrophobicContact CB-CD1 4.2Å; R638-F768 HydrophobicContact CB-CE1 4.02Å; R638-F768 HydrophobicContact CG-CD1 4.41Å; R638-D770 IonicContact CZ-OD2 3.63Å; R638-D770 IonicContact NE-OD1 2.65Å; R638-D770 IonicContact NE-OD2 3.43Å; R638-D770 PolarHBondContact NE-OD2 3.41Å; R638-D770 IonicContact NH2-OD2 3.53Å; R638-D770 PolarHBondContact NH2-OD2 3.03Å
639L93.7Very high89.9Confident11 Ų1153.4 Ų53.46%0.05827%0.272CS..  trans-125.658177-55.1176.1000110.5I635 E641 L642 A643 L693 L696 D697 F768I635-L639 HydrophobicContact CG2-CB 4.36Å; I635-L639 CarbonylContact O-C 3.57Å; I635-L639 VanDerWaalsContact O-C 3.23Å; I635-L639 VanDerWaalsContact O-CA 3.28Å; I635-L639 WeakPolarHBondContact O-CA 3.48Å; I635-L639 WeakPolarHBondContact O-CB 3.36Å; I635-L639 PolarHBondContact O-N 2.87Å; L639-E641 VanDerWaalsContact C-N 3.3Å; L639-E641 PolarHBondContact O-N 3.43Å; L639-L642 HydrophobicContact CB-CB 4.18Å; L639-L642 HydrophobicContact CD1-CD2 4.27Å; L639-L642 PolarHBondContact O-N 3.49Å; L639-L642 VanDerWaalsContact O-N 3.16Å; L639-A643 PolarHBondContact O-N 3.24Å; L639-A643 VanDerWaalsContact O-N 3.07Å; L639-L693 HydrophobicContact CD1-CD2 4.12Å; L639-L693 HydrophobicContact CG-CD2 4.44Å; L639-L696 HydrophobicContact CD1-CB 3.75Å; L639-D697 HydrophobicContact CD1-CB 4.47Å; L639-D697 HydrophobicContact CD2-CB 3.8Å; L639-D697 WeakPolarHBondContact CD2-OD1 3.32Å; L639-F768 HydrophobicContact CD2-CE1 4.33Å; L639-F768 HydrophobicContact CD2-CZ 4.19Å
640P92.3Very high89.3Confident67 Ų6754.6 Ų54.644%0.43528%0.28SS..Hα-helixtrans-62-35.2-172.425.8-35.2000112.9L642 A643 E644P640-L642 VanDerWaalsContact C-N 3.31Å; P640-L642 PolarHBondContact O-N 2.61Å; P640-A643 PolarHBondContact O-N 2.83Å; P640-E644 WeakPolarHBondContact O-CG 3.46Å; P640-E644 PolarHBondContact O-N 3.47Å
641E90.5Very high88.8Confident149 Ų14955.5 Ų55.570%0.69629%0.286SS*.Hα-helixtrans-62.1-39.4178-62.5-178.3-175.700112L639 Q645L639-E641 VanDerWaalsContact C-N 3.3Å; L639-E641 PolarHBondContact O-N 3.43Å; E641-Q645 WeakPolarHBondContact O-CG 3.34Å; E641-Q645 PolarHBondContact O-N 3.1Å; E641-Q645 PolarHBondContact O-NE2 3.07Å
642L91.1Very high88.2Confident4 Ų455.7 Ų55.72%0.02129%0.287CS..Hα-helixtrans-69.2-42.7174.8-178.864.3000110.7L639 P640 E644 Q645 V646 L652 L696 A700 L703 S704L639-L642 HydrophobicContact CB-CB 4.18Å; L639-L642 HydrophobicContact CD1-CD2 4.27Å; L639-L642 PolarHBondContact O-N 3.49Å; L639-L642 VanDerWaalsContact O-N 3.16Å; P640-L642 VanDerWaalsContact C-N 3.31Å; P640-L642 PolarHBondContact O-N 2.61Å; L642-E644 VanDerWaalsContact C-N 3.28Å; L642-E644 PolarHBondContact O-N 3.41Å; L642-Q645 PolarHBondContact O-N 3.35Å; L642-V646 HydrophobicContact CD1-CG2 3.77Å; L642-V646 HydrophobicContact CG-CG2 4.39Å; L642-V646 WeakPolarHBondContact O-CB 3.46Å; L642-V646 PolarHBondContact O-N 3.33Å; L642-L652 HydrophobicContact CD2-CD1 4.35Å; L642-L696 HydrophobicContact CD2-CB 4.22Å; L642-A700 HydrophobicContact CD1-CB 4.39Å; L642-L703 HydrophobicContact CD1-CB 3.88Å; L642-L703 HydrophobicContact CD2-CD1 4.38Å; L642-S704 WeakPolarHBondContact CD1-OG 3.27Å
643A89.8Confident87.7Confident23 Ų2353.9 Ų53.919%0.1928%0.279CS..Hα-helixtrans-65.6-27.917900000113.8R636 L639 P640 L649R636-A643 HydrophobicContact CG-CB 4.33Å; L639-A643 PolarHBondContact O-N 3.24Å; L639-A643 VanDerWaalsContact O-N 3.07Å; P640-A643 PolarHBondContact O-N 2.83Å; A643-L649 HydrophobicContact CB-CD1 3.97Å
644E88.5Confident87.3Confident165 Ų16555.3 Ų55.377%0.77129%0.293SS*.Hα-helixtrans-75-34173.3-75.1-179.1-178.700112.5P640 L642P640-E644 WeakPolarHBondContact O-CG 3.46Å; P640-E644 PolarHBondContact O-N 3.47Å; L642-E644 VanDerWaalsContact C-N 3.28Å; L642-E644 PolarHBondContact O-N 3.41Å
645Q86.8Confident86.8Confident113 Ų11356.5 Ų56.553%0.52830%0.301SS..Hα-helixtrans-87.2-27.2-176.5-67.2174.643.500112.8E641 L642 P647 S704E641-Q645 WeakPolarHBondContact O-CG 3.34Å; E641-Q645 PolarHBondContact O-N 3.1Å; E641-Q645 PolarHBondContact O-NE2 3.07Å; L642-Q645 PolarHBondContact O-N 3.35Å; Q645-P647 VanDerWaalsContact O-CD 3.3Å; Q645-P647 WeakPolarHBondContact O-CD 3.47Å; Q645-S704 PolarHBondContact OE1-OG 3.39Å
646V82.4Confident86.5Confident25 Ų2556.5 Ų56.515%0.15230%0.301CS..  trans-105.196176-177.10000108.8L642 D648 L649 L652L642-V646 HydrophobicContact CD1-CG2 3.77Å; L642-V646 HydrophobicContact CG-CG2 4.39Å; L642-V646 WeakPolarHBondContact O-CB 3.46Å; L642-V646 PolarHBondContact O-N 3.33Å; V646-D648 VanDerWaalsContact C-N 3.26Å; V646-D648 PolarHBondContact O-N 3.19Å; V646-L649 HydrophobicContact CB-CD2 4.24Å; V646-L649 HydrophobicContact CG1-CD2 4.26Å; V646-L652 HydrophobicContact CG1-CD1 4.19Å
647P70.8Confident86.4Confident133 Ų13354.1 Ų54.186%0.86429%0.294SS*.SBendtrans-66.7-26.3-172.125.1-33.9000113.5Q645Q645-P647 VanDerWaalsContact O-CD 3.3Å; Q645-P647 WeakPolarHBondContact O-CD 3.47Å
648D82.1Confident86.3Confident91 Ų9152.9 Ų52.949%0.48729%0.294SS..  trans-116.398.4174.9-168.7-1.3000111.3V646 S650V646-D648 VanDerWaalsContact C-N 3.26Å; V646-D648 PolarHBondContact O-N 3.19Å; D648-S650 PolarHBondContact O-N 3.06Å; D648-S650 WeakPolarHBondContact OD1-CB 3.14Å; D648-S650 PolarHBondContact OD1-N 3.17Å; D648-S650 PolarHBondContact OD1-OG 2.95Å; D648-S650 PolarHBondContact OD2-OG 3.38Å
649L84.1Confident86.3Confident8 Ų850 Ų504%0.04228%0.283CS..THydrogen-bonded Turntrans-74.7-10.8176.2-66.4178.5000113.2E632 I635 R636 A643 V646 T651 L652 S653E632-L649 HydrophobicContact CG-CB 3.79Å; E632-L649 HydrophobicContact CG-CD1 4.45Å; I635-L649 HydrophobicContact CB-CD1 4.39Å; I635-L649 HydrophobicContact CG2-CD1 4.02Å; I635-L649 HydrophobicContact CG2-CD2 3.87Å; R636-L649 HydrophobicContact CG-CD1 3.58Å; A643-L649 HydrophobicContact CB-CD1 3.97Å; V646-L649 HydrophobicContact CB-CD2 4.24Å; V646-L649 HydrophobicContact CG1-CD2 4.26Å; L649-T651 PolarHBondContact O-N 3.01Å; L649-L652 HydrophobicContact CD2-CD1 4.09Å; L649-L652 PolarHBondContact O-N 2.9Å; L649-S653 VanDerWaalsContact O-CB 3.31Å; L649-S653 WeakPolarHBondContact O-CB 3.38Å; L649-S653 PolarHBondContact O-N 3.03Å
650S80.3Confident86.3Confident50 Ų5049.6 Ų49.635%0.3528%0.28SS..Hα-helixtrans-63.9-31.2-175.973.50000112D648 S653 S654D648-S650 PolarHBondContact O-N 3.06Å; D648-S650 WeakPolarHBondContact OD1-CB 3.14Å; D648-S650 PolarHBondContact OD1-N 3.17Å; D648-S650 PolarHBondContact OD1-OG 2.95Å; D648-S650 PolarHBondContact OD2-OG 3.38Å; S650-S653 PolarHBondContact O-N 2.86Å; S650-S654 VanDerWaalsContact O-CB 3.22Å; S650-S654 WeakPolarHBondContact O-CB 3.47Å; S650-S654 PolarHBondContact O-N 3.28Å
651T82Confident86.2Confident19 Ų1947.5 Ų47.512%0.11727%0.266CS..Hα-helixtrans-61.2-54.4172.2-57.70000111.9L649 S653 S654 V655 D709L649-T651 PolarHBondContact O-N 3.01Å; T651-S653 PolarHBondContact O-N 2.9Å; T651-S654 WeakPolarHBondContact O-CB 3.39Å; T651-S654 PolarHBondContact O-N 3.46Å; T651-S654 VanDerWaalsContact O-N 3.08Å; T651-V655 WeakPolarHBondContact O-CG2 3.13Å; T651-V655 PolarHBondContact O-N 3.15Å; T651-D709 WeakPolarHBondContact CB-OD1 3.2Å; T651-D709 HydrophobicContact CG2-CB 3.43Å; T651-D709 VanDerWaalsContact CG2-CB 3.43Å; T651-D709 WeakPolarHBondContact CG2-OD1 3.19Å; T651-D709 PolarHBondContact OG1-OD1 3.3Å; T651-D709 PolarHBondContact OG1-OD2 3.23Å
652L83.9Confident86.3Confident5 Ų541 Ų413%0.02624%0.236CC..Hα-helixtrans-60.6-40.2-179.4-61.9-179.2000110.6L642 V646 L649 S656 L703 A712 L716L642-L652 HydrophobicContact CD2-CD1 4.35Å; V646-L652 HydrophobicContact CG1-CD1 4.19Å; L649-L652 HydrophobicContact CD2-CD1 4.09Å; L649-L652 PolarHBondContact O-N 2.9Å; L652-S656 PolarHBondContact O-N 3.05Å; L652-L703 HydrophobicContact CD2-CD2 4.13Å; L652-A712 HydrophobicContact CD2-CB 4.19Å; L652-L716 HydrophobicContact CD2-CD1 4.38Å
653S82.8Confident86.6Confident1 Ų140.9 Ų40.91%0.00724%0.235CC..Hα-helixtrans-62.9-43.5174-1680000112.1Q628 L649 S650 T651 V655 S656 L657Q628-S653 WeakPolarHBondContact CG-O 3.47Å; Q628-S653 WeakPolarHBondContact CG-OG 3.32Å; Q628-S653 PolarHBondContact NE2-O 3.46Å; Q628-S653 PolarHBondContact O-OG 3.11Å; L649-S653 VanDerWaalsContact O-CB 3.31Å; L649-S653 WeakPolarHBondContact O-CB 3.38Å; L649-S653 PolarHBondContact O-N 3.03Å; S650-S653 PolarHBondContact O-N 2.86Å; T651-S653 PolarHBondContact O-N 2.9Å; S653-V655 PolarHBondContact O-N 3.06Å; S653-S656 WeakPolarHBondContact O-CB 3.4Å; S653-S656 PolarHBondContact O-N 3.19Å; S653-S656 VanDerWaalsContact O-N 3.16Å; S653-S656 PolarHBondContact O-OG 3.28Å; S653-L657 PolarHBondContact O-N 3.48Å
654S83.9Confident86.8Confident72 Ų7239.8 Ų39.850%0.50323%0.226SC..Hα-helixtrans-63.7-41.1178.1-172.10000113.1S650 T651 S656 L657S650-S654 VanDerWaalsContact O-CB 3.22Å; S650-S654 WeakPolarHBondContact O-CB 3.47Å; S650-S654 PolarHBondContact O-N 3.28Å; T651-S654 WeakPolarHBondContact O-CB 3.39Å; T651-S654 PolarHBondContact O-N 3.46Å; T651-S654 VanDerWaalsContact O-N 3.08Å; S654-S656 VanDerWaalsContact C-N 3.25Å; S654-S656 PolarHBondContact O-N 3.14Å; S654-L657 WeakPolarHBondContact O-CB 3.47Å; S654-L657 PolarHBondContact O-N 2.93Å
655V85.6Confident87.1Confident25 Ų2532.7 Ų32.715%0.15219%0.194CC..Hα-helixtrans-61-39.3174.31750000110.7T651 S653 L657 S658 W659 L713 L716T651-V655 WeakPolarHBondContact O-CG2 3.13Å; T651-V655 PolarHBondContact O-N 3.15Å; S653-V655 PolarHBondContact O-N 3.06Å; V655-L657 VanDerWaalsContact C-N 3.26Å; V655-L657 PolarHBondContact O-N 3.13Å; V655-S658 PolarHBondContact O-OG 2.95Å; V655-W659 HydrophobicContact CG1-CZ2 4.02Å; V655-L713 HydrophobicContact CG1-CD1 3.67Å; V655-L713 HydrophobicContact CG2-CD1 4Å; V655-L716 HydrophobicContact CG1-CD1 4.15Å
656S88Confident87.3Confident0 Ų030.6 Ų30.60%019%0.191CC..Hα-helixtrans-68.4-17.3-178.579.60000114.8F631 L652 S653 S654 S658 W659 F660F631-S656 VanDerWaalsContact CD1-OG 3.31Å; F631-S656 WeakPolarHBondContact CD1-OG 3.49Å; L652-S656 PolarHBondContact O-N 3.05Å; S653-S656 WeakPolarHBondContact O-CB 3.4Å; S653-S656 PolarHBondContact O-N 3.19Å; S653-S656 VanDerWaalsContact O-N 3.16Å; S653-S656 PolarHBondContact O-OG 3.28Å; S654-S656 VanDerWaalsContact C-N 3.25Å; S654-S656 PolarHBondContact O-N 3.14Å; S656-S658 PolarHBondContact O-N 2.98Å; S656-W659 WeakPolarHBondContact O-CA 3.12Å; S656-W659 VanDerWaalsContact O-CB 3.24Å; S656-W659 WeakPolarHBondContact O-CB 3.29Å; S656-W659 PolarHBondContact O-N 3.27Å; S656-F660 WeakPolarHBondContact O-CD2 3.3Å; S656-F660 PolarHBondContact O-N 3.24Å; S656-F660 VanDerWaalsContact O-N 3.11Å; S656-F660 WeakPolarHBondContact OG-CE2 3.48Å
657L89.4Confident87.7Confident38 Ų3831 Ų3120%0.19919%0.194CC..Hα-helixtrans-56.9-38.7178.7-176.663.8000111.7A624 Q628 S653 S654 V655 W659 F660 L661A624-L657 HydrophobicContact CB-CD1 3.8Å; Q628-L657 HydrophobicContact CB-CD1 4.48Å; S653-L657 PolarHBondContact O-N 3.48Å; S654-L657 WeakPolarHBondContact O-CB 3.47Å; S654-L657 PolarHBondContact O-N 2.93Å; V655-L657 VanDerWaalsContact C-N 3.26Å; V655-L657 PolarHBondContact O-N 3.13Å; L657-W659 VanDerWaalsContact C-N 3.32Å; L657-W659 PolarHBondContact O-N 3.41Å; L657-F660 PolarHBondContact O-N 3.17Å; L657-L661 HydrophobicContact CD1-CD1 4.43Å; L657-L661 HydrophobicContact CG-CD1 4.1Å; L657-L661 WeakPolarHBondContact O-CG 3.38Å; L657-L661 PolarHBondContact O-N 3.4Å
658S90Very high88.8Confident46 Ų4625.3 Ų25.332%0.32216%0.156SC..Hα-helixtrans-64.9-34.8175.467.50000112.9V655 S656 T662V655-S658 PolarHBondContact O-OG 2.95Å; S656-S658 PolarHBondContact O-N 2.98Å; S658-T662 PolarHBondContact O-N 2.9Å; S658-T662 VanDerWaalsContact O-N 3.16Å; S658-T662 PolarHBondContact O-OG1 2.9Å
659W94Very high89.2Confident5 Ų523.2 Ų23.22%0.01915%0.147CC..Hα-helixtrans-66-42.9177.7-51-12.3000110.7F631 V655 S656 L657 L663 F664 V667 V695 L696 L716 L720F631-W659 HydrophobicContact CE1-CZ3 4.22Å; F631-W659 HydrophobicContact CZ-CZ3 4.27Å; V655-W659 HydrophobicContact CG1-CZ2 4.02Å; S656-W659 WeakPolarHBondContact O-CA 3.12Å; S656-W659 VanDerWaalsContact O-CB 3.24Å; S656-W659 WeakPolarHBondContact O-CB 3.29Å; S656-W659 PolarHBondContact O-N 3.27Å; L657-W659 VanDerWaalsContact C-N 3.32Å; L657-W659 PolarHBondContact O-N 3.41Å; W659-L663 CarbonylContact O-C 3.6Å; W659-L663 WeakPolarHBondContact O-CA 3.49Å; W659-L663 PolarHBondContact O-N 3.08Å; W659-F664 HydrophobicContact CB-CD1 4.08Å; W659-F664 HydrophobicContact CB-CD2 4.09Å; W659-F664 HydrophobicContact CB-CE1 3.83Å; W659-F664 HydrophobicContact CB-CE2 3.86Å; W659-F664 HydrophobicContact CB-CG 4.2Å; W659-F664 HydrophobicContact CB-CZ 3.72Å; W659-F664 HydrophobicContact CD2-CD1 4.43Å; W659-F664 AromaticContact CD2-CE1 3.62Å; W659-F664 HydrophobicContact CD2-CE1 3.62Å; W659-F664 AromaticContact CD2-CZ 3.85Å; W659-F664 HydrophobicContact CD2-CZ 3.85Å; W659-F664 AromaticContact CE3-CE1 3.82Å; W659-F664 HydrophobicContact CE3-CE1 3.82Å; W659-F664 AromaticContact CE3-CZ 3.65Å; W659-F664 HydrophobicContact CE3-CZ 3.65Å; W659-F664 HydrophobicContact CG-CD1 4.05Å; W659-F664 AromaticContact CG-CE1 3.65Å; W659-F664 HydrophobicContact CG-CE1 3.65Å; W659-F664 AromaticContact CG-CZ 3.93Å; W659-F664 HydrophobicContact CG-CZ 3.93Å; W659-F664 PolarHBondContact O-N 3.07Å; W659-V667 HydrophobicContact CG-CG2 4.48Å; W659-V695 HydrophobicContact CH2-CG1 4.14Å; W659-L696 HydrophobicContact CH2-CD2 4.27Å; W659-L716 HydrophobicContact CH2-CD1 4.09Å; W659-L716 HydrophobicContact CH2-CD2 4.3Å; W659-L716 HydrophobicContact CZ2-CB 4.37Å; W659-L716 HydrophobicContact CZ2-CD1 4.06Å; W659-L720 HydrophobicContact CZ2-CD1 4.13Å
660F93.6Very high89.5Confident2 Ų225.3 Ų25.31%0.00916%0.156CC..Hα-helixtrans-69.8-44.6177.8-69.9-70.3000112.8Y616 F631 S656 L657 T662 I685 I688 F689Y616-F660 HydrophobicContact CE1-CB 4.1Å; F631-F660 HydrophobicContact CB-CE2 3.93Å; F631-F660 HydrophobicContact CB-CZ 3.83Å; F631-F660 HydrophobicContact CD1-CE2 4.11Å; F631-F660 HydrophobicContact CD1-CZ 4.36Å; F631-F660 HydrophobicContact CD2-CZ 4.08Å; F631-F660 AromaticContact CG-CE2 3.99Å; F631-F660 HydrophobicContact CG-CE2 3.99Å; F631-F660 AromaticContact CG-CZ 3.85Å; F631-F660 HydrophobicContact CG-CZ 3.85Å; S656-F660 WeakPolarHBondContact O-CD2 3.3Å; S656-F660 PolarHBondContact O-N 3.24Å; S656-F660 VanDerWaalsContact O-N 3.11Å; S656-F660 WeakPolarHBondContact OG-CE2 3.48Å; L657-F660 PolarHBondContact O-N 3.17Å; F660-T662 VanDerWaalsContact C-N 3.34Å; F660-T662 PolarHBondContact O-N 2.9Å; F660-I685 HydrophobicContact CD1-CD1 4Å; F660-I688 HydrophobicContact CD1-CG2 3.62Å; F660-I688 HydrophobicContact CE1-CB 4.49Å; F660-I688 HydrophobicContact CE1-CG2 3.78Å; F660-F689 AromaticContact CE1-CD1 3.77Å; F660-F689 HydrophobicContact CE1-CD1 3.77Å; F660-F689 HydrophobicContact CE1-CD2 4.4Å; F660-F689 AromaticContact CE1-CE1 3.7Å; F660-F689 HydrophobicContact CE1-CE1 3.7Å; F660-F689 HydrophobicContact CE1-CE2 4.34Å; F660-F689 HydrophobicContact CE1-CG 4.14Å; F660-F689 HydrophobicContact CE1-CZ 4Å; F660-F689 AromaticContact CZ-CD1 3.69Å; F660-F689 HydrophobicContact CZ-CD1 3.69Å; F660-F689 AromaticContact CZ-CE1 3.61Å; F660-F689 HydrophobicContact CZ-CE1 3.61Å; F660-F689 HydrophobicContact CZ-CG 4.46Å; F660-F689 HydrophobicContact CZ-CZ 4.32Å
661L91.1Very high89.9Confident24 Ų2426 Ų2613%0.12615%0.154CC..Hα-helixtrans-65.9-36-177.9-77.1172.7000112.9V621 A624 L657V621-L661 HydrophobicContact CG1-CD2 4.37Å; A624-L661 HydrophobicContact CB-CD2 3.72Å; A624-L661 HydrophobicContact CB-CG 4.17Å; L657-L661 HydrophobicContact CD1-CD1 4.43Å; L657-L661 HydrophobicContact CG-CD1 4.1Å; L657-L661 WeakPolarHBondContact O-CG 3.38Å; L657-L661 PolarHBondContact O-N 3.4Å
662T93.3Very high90.4Very high11 Ų1125.1 Ų25.17%0.06715%0.148CC..Hα-helixtrans-107.73.8-176.367.60000113.6S658 F660 F664 L665 S666S658-T662 PolarHBondContact O-N 2.9Å; S658-T662 VanDerWaalsContact O-N 3.16Å; S658-T662 PolarHBondContact O-OG1 2.9Å; F660-T662 VanDerWaalsContact C-N 3.34Å; F660-T662 PolarHBondContact O-N 2.9Å; T662-F664 VanDerWaalsContact C-N 3.26Å; T662-F664 PolarHBondContact O-N 2.84Å; T662-L665 WeakPolarHBondContact O-CB 3.09Å; T662-L665 WeakPolarHBondContact O-CD1 3.34Å; T662-L665 WeakPolarHBondContact O-CG 3.48Å; T662-L665 PolarHBondContact O-N 2.71Å; T662-S666 PolarHBondContact OG1-N 3.5Å; T662-S666 PolarHBondContact OG1-OG 2.71Å; T662-S666 VanDerWaalsContact OG1-OG 3.07Å
663L95.4Very high90.9Very high2 Ų224.9 Ų24.91%0.0115%0.147CC..THydrogen-bonded Turntrans5344-174.3-54.8178.7000112.5L588 L613 W659 L665 F680 I688L588-L663 HydrophobicContact CD2-CB 4.42Å; L588-L663 HydrophobicContact CD2-CD1 3.78Å; L588-L663 HydrophobicContact CD2-CG 4Å; L613-L663 HydrophobicContact CD1-CD2 3.94Å; L613-L663 HydrophobicContact CD1-CG 4.45Å; W659-L663 CarbonylContact O-C 3.6Å; W659-L663 WeakPolarHBondContact O-CA 3.49Å; W659-L663 PolarHBondContact O-N 3.08Å; L663-L665 PolarHBondContact O-N 2.82Å; L663-L665 VanDerWaalsContact O-N 3.16Å; L663-F680 HydrophobicContact CD1-CB 4.41Å; L663-F680 HydrophobicContact CD1-CD1 3.44Å; L663-F680 VanDerWaalsContact CD1-CD1 3.44Å; L663-F680 HydrophobicContact CD1-CD2 4.18Å; L663-F680 HydrophobicContact CD1-CE1 3.63Å; L663-F680 HydrophobicContact CD1-CE2 4.35Å; L663-F680 HydrophobicContact CD1-CG 3.73Å; L663-F680 HydrophobicContact CD1-CZ 4.09Å; L663-F680 HydrophobicContact CD2-CD2 3.83Å; L663-F680 HydrophobicContact CD2-CE2 4Å; L663-F680 HydrophobicContact CD2-CG 4.14Å; L663-F680 HydrophobicContact CD2-CZ 4.45Å; L663-I688 HydrophobicContact CB-CD1 4.48Å; L663-I688 HydrophobicContact CD2-CD1 4.08Å; L663-I688 HydrophobicContact CD2-CG1 3.97Å
664F95.5Very high91.4Very high1 Ų124.8 Ų24.80%0.00415%0.147CC..THydrogen-bonded Turntrans63.51-172.7-70.4-97.8000116.6W659 T662 S666 V667 L668 V676 I688 L691 L720W659-F664 HydrophobicContact CB-CD1 4.08Å; W659-F664 HydrophobicContact CB-CD2 4.09Å; W659-F664 HydrophobicContact CB-CE1 3.83Å; W659-F664 HydrophobicContact CB-CE2 3.86Å; W659-F664 HydrophobicContact CB-CG 4.2Å; W659-F664 HydrophobicContact CB-CZ 3.72Å; W659-F664 HydrophobicContact CD2-CD1 4.43Å; W659-F664 AromaticContact CD2-CE1 3.62Å; W659-F664 HydrophobicContact CD2-CE1 3.62Å; W659-F664 AromaticContact CD2-CZ 3.85Å; W659-F664 HydrophobicContact CD2-CZ 3.85Å; W659-F664 AromaticContact CE3-CE1 3.82Å; W659-F664 HydrophobicContact CE3-CE1 3.82Å; W659-F664 AromaticContact CE3-CZ 3.65Å; W659-F664 HydrophobicContact CE3-CZ 3.65Å; W659-F664 HydrophobicContact CG-CD1 4.05Å; W659-F664 AromaticContact CG-CE1 3.65Å; W659-F664 HydrophobicContact CG-CE1 3.65Å; W659-F664 AromaticContact CG-CZ 3.93Å; W659-F664 HydrophobicContact CG-CZ 3.93Å; W659-F664 PolarHBondContact O-N 3.07Å; T662-F664 VanDerWaalsContact C-N 3.26Å; T662-F664 PolarHBondContact O-N 2.84Å; F664-S666 PolarHBondContact O-N 2.85Å; F664-S666 VanDerWaalsContact O-N 3.15Å; F664-V667 HydrophobicContact CB-CG2 4.08Å; F664-V667 HydrophobicContact CD1-CG2 3.64Å; F664-V667 HydrophobicContact CG-CG2 4.24Å; F664-V667 WeakPolarHBondContact O-CG2 3.18Å; F664-V667 PolarHBondContact O-N 2.87Å; F664-V667 VanDerWaalsContact O-N 3.11Å; F664-L668 HydrophobicContact CB-CD1 3.71Å; F664-L668 HydrophobicContact CB-CG 4.12Å; F664-L668 HydrophobicContact CD1-CD1 4.17Å; F664-L668 HydrophobicContact CD1-CG 4.3Å; F664-L668 HydrophobicContact CG-CD1 4.2Å; F664-L668 PolarHBondContact O-N 2.97Å; F664-V676 HydrophobicContact CB-CG1 4.44Å; F664-V676 HydrophobicContact CD2-CG1 4.15Å; F664-I688 HydrophobicContact CD2-CG2 4.22Å; F664-I688 HydrophobicContact CE2-CG2 3.82Å; F664-L691 HydrophobicContact CD2-CD2 3.96Å; F664-L691 HydrophobicContact CE2-CB 4.43Å; F664-L691 HydrophobicContact CE2-CD2 3.9Å; F664-L691 HydrophobicContact CE2-CG 4.23Å; F664-L691 HydrophobicContact CG-CD2 4.32Å; F664-L691 HydrophobicContact CZ-CD2 4.21Å; F664-L691 HydrophobicContact CZ-CG 4.2Å; F664-L720 HydrophobicContact CD1-CD2 4.41Å; F664-L720 HydrophobicContact CE1-CD2 4.34Å
665L93.5Very high92Very high16 Ų1621.8 Ų21.88%0.08413%0.126CC..THydrogen-bonded Turntrans-60.1-28.1-177.9-69.1171.5000114.1I587 L588 V591 T662 L663 A673 V677I587-L665 HydrophobicContact CG2-CB 3.71Å; I587-L665 HydrophobicContact CG2-CD1 4.08Å; L588-L665 HydrophobicContact CD2-CD1 3.76Å; V591-L665 HydrophobicContact CB-CD1 4.19Å; V591-L665 HydrophobicContact CG1-CD2 4.39Å; V591-L665 HydrophobicContact CG2-CD1 3.73Å; V591-L665 HydrophobicContact CG2-CD2 3.79Å; V591-L665 HydrophobicContact CG2-CG 4.35Å; T662-L665 WeakPolarHBondContact O-CB 3.09Å; T662-L665 WeakPolarHBondContact O-CD1 3.34Å; T662-L665 WeakPolarHBondContact O-CG 3.48Å; T662-L665 PolarHBondContact O-N 2.71Å; L663-L665 PolarHBondContact O-N 2.82Å; L663-L665 VanDerWaalsContact O-N 3.16Å; L665-A673 HydrophobicContact CD2-CB 3.76Å; L665-V677 HydrophobicContact CD1-CG2 4.32Å; L665-V677 HydrophobicContact CD2-CG2 3.79Å; L665-V677 HydrophobicContact CG-CG2 4.11Å
666S90.9Very high92.5Very high69 Ų6920.8 Ų20.848%0.48312%0.119SC..THydrogen-bonded Turntrans-89.4-6-179.569.40000114.5T662 F664T662-S666 PolarHBondContact OG1-N 3.5Å; T662-S666 PolarHBondContact OG1-OG 2.71Å; T662-S666 VanDerWaalsContact OG1-OG 3.07Å; F664-S666 PolarHBondContact O-N 2.85Å; F664-S666 VanDerWaalsContact O-N 3.15Å
667V91.6Very high93Very high34 Ų3421 Ų2121%0.20612%0.121CC..THydrogen-bonded Turntrans-127.7-15.7-171.7-60.40000114.1W659 F664 L720W659-V667 HydrophobicContact CG-CG2 4.48Å; F664-V667 HydrophobicContact CB-CG2 4.08Å; F664-V667 HydrophobicContact CD1-CG2 3.64Å; F664-V667 HydrophobicContact CG-CG2 4.24Å; F664-V667 WeakPolarHBondContact O-CG2 3.18Å; F664-V667 PolarHBondContact O-N 2.87Å; F664-V667 VanDerWaalsContact O-N 3.11Å; V667-L720 HydrophobicContact CB-CD1 4.12Å; V667-L720 HydrophobicContact CG2-CD1 4.01Å; V667-L720 WeakPolarHBondContact O-CB 3.31Å
668L93.2Very high93.4Very high13 Ų1319.1 Ų19.17%0.06811%0.111CC..SBendtrans-104.6151.1174.4-78176.1000110.8F664 F670 A673 V676 L720 V723 I757F664-L668 HydrophobicContact CB-CD1 3.71Å; F664-L668 HydrophobicContact CB-CG 4.12Å; F664-L668 HydrophobicContact CD1-CD1 4.17Å; F664-L668 HydrophobicContact CD1-CG 4.3Å; F664-L668 HydrophobicContact CG-CD1 4.2Å; F664-L668 PolarHBondContact O-N 2.97Å; L668-F670 PolarHBondContact O-N 2.95Å; L668-A673 HydrophobicContact CB-CB 3.84Å; L668-V676 HydrophobicContact CD1-CG2 3.74Å; L668-L720 HydrophobicContact CD2-CB 4.08Å; L668-L720 HydrophobicContact CD2-CD2 3.62Å; L668-L720 HydrophobicContact CD2-CG 4.46Å; L668-L720 HydrophobicContact CG-CD2 4.25Å; L668-V723 HydrophobicContact CD2-CB 3.83Å; L668-V723 HydrophobicContact CD2-CG1 4.09Å; L668-V723 HydrophobicContact CD2-CG2 4.31Å; L668-I757 HydrophobicContact CD1-CD1 4.42Å
669P92.2Very high93.7Very high46 Ų4617.1 Ų17.130%0.29910%0.097SC..  trans-51.8139.7165.3-27.636.6000111.4Q671 S672 A673 L720 V723P669-Q671 PolarHBondContact O-N 2.82Å; P669-Q671 VanDerWaalsContact O-N 3.16Å; P669-S672 WeakPolarHBondContact O-CA 3.08Å; P669-S672 WeakPolarHBondContact O-CB 2.92Å; P669-S672 PolarHBondContact O-N 2.97Å; P669-A673 PolarHBondContact O-N 3.21Å; P669-L720 VanDerWaalsContact CD-O 3.29Å; P669-L720 WeakPolarHBondContact CD-O 3.19Å; P669-V723 WeakPolarHBondContact CD-O 3.5Å; P669-V723 WeakPolarHBondContact CG-O 3.38Å
670F89.7Confident93.9Very high52 Ų5216.9 Ų16.923%0.22810%0.096CC..Hα-helixtrans-49.1-49.4-168.7175.4-101.8000114.1L550 V591 L594 Y595 L668 S672 A673 V674L550-F670 HydrophobicContact CD1-CE2 4.27Å; L550-F670 HydrophobicContact CD2-CD2 4.33Å; V591-F670 HydrophobicContact CG2-CE2 4.29Å; L594-F670 HydrophobicContact CD1-CE2 3.69Å; L594-F670 HydrophobicContact CD1-CZ 3.44Å; L594-F670 VanDerWaalsContact CD1-CZ 3.44Å; Y595-F670 HydrophobicContact CE2-CZ 4.27Å; L668-F670 PolarHBondContact O-N 2.95Å; F670-S672 VanDerWaalsContact C-N 3.34Å; F670-S672 PolarHBondContact O-N 3.4Å; F670-A673 PolarHBondContact O-N 3.3Å; F670-V674 HydrophobicContact CD2-CG2 4.41Å; F670-V674 HydrophobicContact CE1-CG2 4.21Å; F670-V674 HydrophobicContact CE2-CG2 3.97Å; F670-V674 HydrophobicContact CZ-CG2 3.85Å; F670-V674 WeakPolarHBondContact O-CG2 3.44Å; F670-V674 PolarHBondContact O-N 3.25Å
671Q87.9Confident94.1Very high65 Ų6516.9 Ų16.930%0.30410%0.096SC..Hα-helixtrans-63.4-38.3-179.1-67.2-62.3-17.500112.8P669 C675P669-Q671 PolarHBondContact O-N 2.82Å; P669-Q671 VanDerWaalsContact O-N 3.16Å; Q671-C675 PolarHBondContact O-SG 3.26Å; Q671-C675 VanDerWaalsContact O-SG 3.41Å
672S93.3Very high94.3Very high0 Ų016.5 Ų16.50%09%0.093CC..Hα-helixtrans-68.1-42.3174.6-56.80000111P669 F670 V674 C675 V676 V723 G724P669-S672 WeakPolarHBondContact O-CA 3.08Å; P669-S672 WeakPolarHBondContact O-CB 2.92Å; P669-S672 PolarHBondContact O-N 2.97Å; F670-S672 VanDerWaalsContact C-N 3.34Å; F670-S672 PolarHBondContact O-N 3.4Å; S672-V674 VanDerWaalsContact C-N 3.35Å; S672-V674 PolarHBondContact O-N 3.21Å; S672-C675 WeakPolarHBondContact O-CB 3.45Å; S672-C675 PolarHBondContact O-N 2.91Å; S672-V676 PolarHBondContact O-N 2.88Å; S672-V723 PolarHBondContact OG-O 3.36Å; S672-G724 WeakPolarHBondContact OG-CA 3.31Å
673A94.2Very high94.2Very high0 Ų016.7 Ų16.70%09%0.093CC..Hα-helixtrans-64.2-37.6-178.300000112.6L665 L668 P669 F670 C675 V676 V677L665-A673 HydrophobicContact CD2-CB 3.76Å; L668-A673 HydrophobicContact CB-CB 3.84Å; P669-A673 PolarHBondContact O-N 3.21Å; F670-A673 PolarHBondContact O-N 3.3Å; A673-C675 VanDerWaalsContact C-N 3.3Å; A673-C675 PolarHBondContact O-N 3.35Å; A673-V676 WeakPolarHBondContact O-CB 3.37Å; A673-V676 PolarHBondContact O-N 3.12Å; A673-V676 VanDerWaalsContact O-N 3.08Å; A673-V677 PolarHBondContact O-N 3.03Å; A673-V677 VanDerWaalsContact O-N 3.08Å
674V94.3Very high94.1Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-63.1-35.4176175.70000111.8R503 W507 V591 Y595 F670 S672 V676 V677 D678R503-V674 VanDerWaalsContact NE-CG1 3.35Å; W507-V674 HydrophobicContact CH2-CG1 4.33Å; W507-V674 HydrophobicContact CZ2-CG1 4.07Å; V591-V674 HydrophobicContact CG1-CG2 4.35Å; Y595-V674 HydrophobicContact CE2-CG1 3.93Å; Y595-V674 HydrophobicContact CE2-CG2 3.94Å; F670-V674 HydrophobicContact CD2-CG2 4.41Å; F670-V674 HydrophobicContact CE1-CG2 4.21Å; F670-V674 HydrophobicContact CE2-CG2 3.97Å; F670-V674 HydrophobicContact CZ-CG2 3.85Å; F670-V674 WeakPolarHBondContact O-CG2 3.44Å; F670-V674 PolarHBondContact O-N 3.25Å; S672-V674 VanDerWaalsContact C-N 3.35Å; S672-V674 PolarHBondContact O-N 3.21Å; V674-V676 VanDerWaalsContact C-N 3.27Å; V674-V676 PolarHBondContact O-N 2.89Å; V674-V677 WeakPolarHBondContact O-CB 3.36Å; V674-V677 PolarHBondContact O-N 3.2Å; V674-V677 VanDerWaalsContact O-N 3.14Å; V674-D678 PolarHBondContact O-N 2.84Å
675C95.4Very high94Very high9 Ų917.4 Ų17.46%0.06110%0.099CC..Hα-helixtrans-65-31.3174.1-610000112.4Q671 S672 A673 D678 C679 I757 I761Q671-C675 PolarHBondContact O-SG 3.26Å; Q671-C675 VanDerWaalsContact O-SG 3.41Å; S672-C675 WeakPolarHBondContact O-CB 3.45Å; S672-C675 PolarHBondContact O-N 2.91Å; A673-C675 VanDerWaalsContact C-N 3.3Å; A673-C675 PolarHBondContact O-N 3.35Å; C675-D678 WeakPolarHBondContact O-CB 3.32Å; C675-C679 PolarHBondContact O-N 2.87Å; C675-C679 PolarHBondContact O-SG 3.48Å; C675-C679 VanDerWaalsContact O-SG 3.37Å; C675-I757 HydrophobicContact CB-CG1 4.25Å; C675-I761 HydrophobicContact CB-CD1 4.15Å
676V97.2Very high94.1Very high3 Ų318.3 Ų18.32%0.01810%0.102CC..Hα-helixtrans-69.8-39.7173-179.10000110.8F664 L668 S672 A673 V674 D678 C679 F680 I688 L691 I757F664-V676 HydrophobicContact CB-CG1 4.44Å; F664-V676 HydrophobicContact CD2-CG1 4.15Å; L668-V676 HydrophobicContact CD1-CG2 3.74Å; S672-V676 PolarHBondContact O-N 2.88Å; A673-V676 WeakPolarHBondContact O-CB 3.37Å; A673-V676 PolarHBondContact O-N 3.12Å; A673-V676 VanDerWaalsContact O-N 3.08Å; V674-V676 VanDerWaalsContact C-N 3.27Å; V674-V676 PolarHBondContact O-N 2.89Å; V676-D678 VanDerWaalsContact C-N 3.34Å; V676-C679 WeakPolarHBondContact O-CB 3.49Å; V676-C679 PolarHBondContact O-N 3.39Å; V676-F680 PolarHBondContact O-N 3.35Å; V676-I688 HydrophobicContact CG1-CD1 3.65Å; V676-L691 HydrophobicContact CB-CD2 4.22Å; V676-L691 HydrophobicContact CG1-CD2 3.64Å; V676-L691 HydrophobicContact CG2-CD2 3.47Å; V676-L691 VanDerWaalsContact CG2-CD2 3.47Å; V676-I757 HydrophobicContact CG2-CD1 4.04Å
677V97.4Very high94.3Very high4 Ų415.4 Ų15.42%0.0248%0.081CC..Hα-helixtrans-62.8-40174.4176.10000111.3W507 L665 A673 V674 C679 F680 F681W507-V677 HydrophobicContact CH2-CG1 3.94Å; W507-V677 HydrophobicContact CZ2-CB 4.26Å; W507-V677 HydrophobicContact CZ2-CG1 3.67Å; L665-V677 HydrophobicContact CD1-CG2 4.32Å; L665-V677 HydrophobicContact CD2-CG2 3.79Å; L665-V677 HydrophobicContact CG-CG2 4.11Å; A673-V677 PolarHBondContact O-N 3.03Å; A673-V677 VanDerWaalsContact O-N 3.08Å; V674-V677 WeakPolarHBondContact O-CB 3.36Å; V674-V677 PolarHBondContact O-N 3.2Å; V674-V677 VanDerWaalsContact O-N 3.14Å; V677-C679 VanDerWaalsContact C-N 3.32Å; V677-C679 PolarHBondContact O-N 3.3Å; V677-F680 WeakPolarHBondContact O-CB 3.5Å; V677-F680 PolarHBondContact O-N 3.01Å; V677-F681 HydrophobicContact CG1-CD2 3.66Å; V677-F681 HydrophobicContact CG1-CE2 3.54Å; V677-F681 WeakPolarHBondContact O-CD2 3.26Å; V677-F681 PolarHBondContact O-N 3.37Å
678D97.7Very high94.5Very high0 Ų013.8 Ų13.80%07%0.072CC..Hα-helixtrans-55.2-48.1172.3-68.6-22.7000111.3V494 I498 R503 W507 V674 C675 V676 F680 F681 F682V494-D678 HydrophobicContact CG1-CB 4.08Å; V494-D678 WeakPolarHBondContact CG1-O 3.41Å; I498-D678 WeakPolarHBondContact CB-OD2 3.16Å; I498-D678 HydrophobicContact CD1-CB 3.73Å; I498-D678 HydrophobicContact CG1-CB 3.89Å; I498-D678 PolarHBondContact N-OD2 3.19Å; R503-D678 IonicContact NE-OD1 2.64Å; R503-D678 IonicContact NE-OD2 3.3Å; W507-D678 WeakPolarHBondContact CZ2-OD1 3.44Å; W507-D678 PolarHBondContact NE1-OD1 3.05Å; V674-D678 PolarHBondContact O-N 2.84Å; C675-D678 WeakPolarHBondContact O-CB 3.32Å; V676-D678 VanDerWaalsContact C-N 3.34Å; D678-F680 PolarHBondContact O-N 2.94Å; D678-F681 PolarHBondContact O-N 3.04Å; D678-F682 PolarHBondContact O-N 3.38Å
679C97.3Very high94.7Very high4 Ų413.2 Ų13.23%0.0277%0.069CC..Hα-helixtrans-63.4-40.1177.4-68.30000112.4V494 C675 V676 V677 F682 Q683 S687V494-C679 HydrophobicContact CG1-CB 4.47Å; C675-C679 PolarHBondContact O-N 2.87Å; C675-C679 PolarHBondContact O-SG 3.48Å; C675-C679 VanDerWaalsContact O-SG 3.37Å; V676-C679 WeakPolarHBondContact O-CB 3.49Å; V676-C679 PolarHBondContact O-N 3.39Å; V677-C679 VanDerWaalsContact C-N 3.32Å; V677-C679 PolarHBondContact O-N 3.3Å; C679-F682 PolarHBondContact O-N 3.19Å; C679-Q683 WeakPolarHBondContact O-CB 3.46Å; C679-Q683 PolarHBondContact O-N 2.79Å; C679-S687 PolarHBondContact O-OG 2.96Å
680F97.4Very high94.9Very high0 Ų011.1 Ų11.10%06%0.055CC..Hα-helixtrans-63.9-46177.8166.5-98.5000112.3V608 M612 L613 L663 V676 V677 D678 F682 G684 S687 I688V608-F680 HydrophobicContact CG2-CE1 4.05Å; M612-F680 HydrophobicContact CB-CE1 4.47Å; M612-F680 HydrophobicContact CB-CE2 4.42Å; M612-F680 HydrophobicContact CB-CZ 3.71Å; M612-F680 HydrophobicContact CE-CD1 4.11Å; M612-F680 HydrophobicContact CE-CE1 3.62Å; M612-F680 HydrophobicContact CE-CE2 4.21Å; M612-F680 HydrophobicContact CE-CZ 3.68Å; M612-F680 WeakPolarHBondContact CE-O 3.08Å; M612-F680 HydrophobicContact SD-CE1 4.07Å; M612-F680 HydrophobicContact SD-CZ 4.19Å; L613-F680 HydrophobicContact CD1-CE2 4.25Å; L613-F680 HydrophobicContact CD1-CZ 4.02Å; L613-F680 HydrophobicContact CD2-CE2 3.71Å; L613-F680 HydrophobicContact CD2-CZ 4.12Å; L613-F680 HydrophobicContact CG-CE2 3.92Å; L613-F680 HydrophobicContact CG-CZ 3.78Å; L663-F680 HydrophobicContact CD1-CB 4.41Å; L663-F680 HydrophobicContact CD1-CD1 3.44Å; L663-F680 VanDerWaalsContact CD1-CD1 3.44Å; L663-F680 HydrophobicContact CD1-CD2 4.18Å; L663-F680 HydrophobicContact CD1-CE1 3.63Å; L663-F680 HydrophobicContact CD1-CE2 4.35Å; L663-F680 HydrophobicContact CD1-CG 3.73Å; L663-F680 HydrophobicContact CD1-CZ 4.09Å; L663-F680 HydrophobicContact CD2-CD2 3.83Å; L663-F680 HydrophobicContact CD2-CE2 4Å; L663-F680 HydrophobicContact CD2-CG 4.14Å; L663-F680 HydrophobicContact CD2-CZ 4.45Å; V676-F680 PolarHBondContact O-N 3.35Å; V677-F680 WeakPolarHBondContact O-CB 3.5Å; V677-F680 PolarHBondContact O-N 3.01Å; D678-F680 PolarHBondContact O-N 2.94Å; F680-F682 VanDerWaalsContact C-N 3.25Å; F680-F682 PolarHBondContact O-N 3.29Å; F680-G684 WeakPolarHBondContact O-CA 3.3Å; F680-G684 PolarHBondContact O-N 2.79Å; F680-S687 PolarHBondContact N-OG 3.09Å; F680-I688 HydrophobicContact CB-CD1 4.13Å; F680-I688 HydrophobicContact CD2-CG1 4.12Å
681F97.2Very high95.3Very high2 Ų29 Ų91%0.0095%0.046CC..Hα-helixtrans-61.4-37.9176.9-84.2-67.6000111.7W507 F510 L592 L604 V608 M612 V677 D678W507-F681 HydrophobicContact CB-CD1 4.3Å; W507-F681 HydrophobicContact CB-CD2 3.88Å; W507-F681 HydrophobicContact CB-CE1 4.46Å; W507-F681 HydrophobicContact CB-CE2 4.04Å; W507-F681 HydrophobicContact CB-CG 4.02Å; W507-F681 HydrophobicContact CB-CZ 4.34Å; W507-F681 AromaticContact CD1-CD2 3.55Å; W507-F681 AromaticContact CD1-CG 3.98Å; W507-F681 AromaticContact CD2-CD2 3.71Å; W507-F681 HydrophobicContact CD2-CD2 3.71Å; W507-F681 AromaticContact CD2-CE2 3.68Å; W507-F681 HydrophobicContact CD2-CE2 3.68Å; W507-F681 AromaticContact CE2-CD2 3.97Å; W507-F681 HydrophobicContact CE3-CD2 4.43Å; W507-F681 AromaticContact CE3-CE2 3.94Å; W507-F681 HydrophobicContact CE3-CE2 3.94Å; W507-F681 HydrophobicContact CG-CB 4.44Å; W507-F681 AromaticContact CG-CD2 3.42Å; W507-F681 HydrophobicContact CG-CD2 3.42Å; W507-F681 VanDerWaalsContact CG-CD2 3.42Å; W507-F681 AromaticContact CG-CE2 3.75Å; W507-F681 HydrophobicContact CG-CE2 3.75Å; W507-F681 AromaticContact CG-CG 3.95Å; W507-F681 HydrophobicContact CG-CG 3.95Å; W507-F681 AromaticContact NE1-CD2 3.88Å; F510-F681 HydrophobicContact CB-CB 4.24Å; F510-F681 VanDerWaalsContact CB-O 3.3Å; F510-F681 WeakPolarHBondContact CB-O 3.3Å; F510-F681 HydrophobicContact CD2-CB 4.35Å; L592-F681 HydrophobicContact CD2-CE2 3.9Å; L592-F681 HydrophobicContact CD2-CZ 3.73Å; L604-F681 HydrophobicContact CD2-CE1 3.86Å; L604-F681 HydrophobicContact CD2-CZ 4.11Å; V608-F681 HydrophobicContact CG2-CE1 3.93Å; V608-F681 HydrophobicContact CG2-CZ 3.89Å; M612-F681 HydrophobicContact CE-CD1 4.16Å; M612-F681 HydrophobicContact SD-CD1 3.97Å; M612-F681 HydrophobicContact SD-CE1 4.15Å; V677-F681 HydrophobicContact CG1-CD2 3.66Å; V677-F681 HydrophobicContact CG1-CE2 3.54Å; V677-F681 WeakPolarHBondContact O-CD2 3.26Å; V677-F681 PolarHBondContact O-N 3.37Å; D678-F681 PolarHBondContact O-N 3.04Å
682F95.1Very high95.7Very high16 Ų165.9 Ų5.97%0.073%0.032CC..Hα-helixtrans-75.3-45.9180-178.2-113.8000114.2R292 R486 I490 Q491 V494 F510 D678 C679 F680R292-F682 VanDerWaalsContact CZ-O 3.28Å; R292-F682 PolarHBondContact NH1-O 2.9Å; R292-F682 PolarHBondContact NH2-O 2.81Å; R486-F682 HydrophobicContact CB-CE2 4.06Å; R486-F682 HydrophobicContact CB-CZ 4.21Å; R486-F682 HydrophobicContact CG-CE2 4.01Å; I490-F682 HydrophobicContact CB-CZ 4.45Å; I490-F682 HydrophobicContact CD1-CD2 4.48Å; I490-F682 HydrophobicContact CD1-CE2 4.03Å; I490-F682 HydrophobicContact CG1-CE2 4.09Å; I490-F682 HydrophobicContact CG1-CZ 4.4Å; I490-F682 HydrophobicContact CG2-CE1 4.41Å; I490-F682 HydrophobicContact CG2-CE2 3.77Å; I490-F682 HydrophobicContact CG2-CZ 3.5Å; I490-F682 VanDerWaalsContact CG2-CZ 3.5Å; Q491-F682 HydrophobicContact CB-CE1 3.81Å; Q491-F682 HydrophobicContact CG-CE1 4.03Å; V494-F682 HydrophobicContact CB-CD1 4.43Å; V494-F682 HydrophobicContact CG1-CB 4.01Å; V494-F682 HydrophobicContact CG1-CG 4.48Å; V494-F682 HydrophobicContact CG2-CB 4.14Å; V494-F682 HydrophobicContact CG2-CD1 4.24Å; V494-F682 HydrophobicContact CG2-CD2 4.42Å; V494-F682 HydrophobicContact CG2-CG 4Å; F510-F682 AromaticContact CD1-CD2 3.91Å; F510-F682 HydrophobicContact CD1-CD2 3.91Å; F510-F682 HydrophobicContact CD2-CB 4Å; F510-F682 HydrophobicContact CD2-CD2 4.36Å; F510-F682 AromaticContact CE1-CD2 3.69Å; F510-F682 HydrophobicContact CE1-CD2 3.69Å; F510-F682 HydrophobicContact CE1-CE2 4.25Å; F510-F682 HydrophobicContact CE2-CB 4.1Å; F510-F682 HydrophobicContact CE2-CD2 4.16Å; F510-F682 HydrophobicContact CG-CB 4.43Å; F510-F682 HydrophobicContact CG-CD2 4.26Å; F510-F682 AromaticContact CZ-CD2 3.83Å; F510-F682 HydrophobicContact CZ-CD2 3.83Å; D678-F682 PolarHBondContact O-N 3.38Å; C679-F682 PolarHBondContact O-N 3.19Å; F680-F682 VanDerWaalsContact C-N 3.25Å; F680-F682 PolarHBondContact O-N 3.29Å
683Q92Very high95.9Very high14 Ų146 Ų67%0.0653%0.032CC..Hα-helixtrans-108.5-8.4-171-54-169.754.500114.3C679C679-Q683 WeakPolarHBondContact O-CB 3.46Å; C679-Q683 PolarHBondContact O-N 2.79Å
684G93.7Very high96Very high6 Ų66 Ų66%0.0623%0.032CC..THydrogen-bonded Turntrans71.4-163.8-170.600000112.6F680 K686 S687F680-G684 WeakPolarHBondContact O-CA 3.3Å; F680-G684 PolarHBondContact O-N 2.79Å; G684-K686 PolarHBondContact O-N 3.47Å; G684-S687 PolarHBondContact O-N 2.92Å; G684-S687 PolarHBondContact O-OG 2.83Å
685I93.4Very high96.1Very high12 Ų126 Ų66%0.0623%0.032CC..THydrogen-bonded Turntrans-57.6-19.8-178.1-164.359000114.7L613 Y616 F660 S687 I688 F689L613-I685 HydrophobicContact CD2-CB 4.16Å; L613-I685 HydrophobicContact CD2-CD1 3.52Å; L613-I685 HydrophobicContact CD2-CG1 4.07Å; Y616-I685 HydrophobicContact CE1-CD1 4.34Å; F660-I685 HydrophobicContact CD1-CD1 4Å; I685-S687 PolarHBondContact O-N 3.45Å; I685-I688 HydrophobicContact CD1-CB 3.87Å; I685-I688 HydrophobicContact CD1-CG1 3.89Å; I685-I688 HydrophobicContact CD1-CG2 4.19Å; I685-I688 WeakPolarHBondContact O-CB 3.35Å; I685-I688 PolarHBondContact O-N 2.93Å; I685-F689 HydrophobicContact CG1-CD2 4.15Å; I685-F689 HydrophobicContact CG1-CE2 3.85Å; I685-F689 HydrophobicContact CG2-CE2 4.38Å; I685-F689 WeakPolarHBondContact O-CD2 3.39Å; I685-F689 PolarHBondContact O-N 3.36Å
686K94.2Very high96Very high35 Ų355.5 Ų5.515%0.1523%0.029CC..Hα-helixtrans-53.6-42.5176.1-177.2-175.665.1166.70111.7G684 I688 F689 Q690 L771 I776G684-K686 PolarHBondContact O-N 3.47Å; K686-I688 VanDerWaalsContact C-N 3.26Å; K686-I688 PolarHBondContact O-N 3.38Å; K686-F689 PolarHBondContact O-N 3.03Å; K686-Q690 HydrophobicContact CG-CG 4.49Å; K686-Q690 WeakPolarHBondContact O-CG 3.16Å; K686-Q690 PolarHBondContact O-N 2.95Å; K686-L771 VanDerWaalsContact CD-O 3.26Å; K686-L771 WeakPolarHBondContact CD-O 3.26Å; K686-L771 HydrophobicContact CG-CD2 4.39Å; K686-L771 HydrophobicContact CG-CG 4.48Å; K686-I776 HydrophobicContact CB-CD1 3.95Å; K686-I776 HydrophobicContact CG-CD1 4.02Å
687S95Very high95.9Very high8 Ų87.9 Ų7.96%0.0564%0.041CC..Hα-helixtrans-66.1-30.6-179.9580000112.6C679 F680 G684 I685 Q690 L691C679-S687 PolarHBondContact O-OG 2.96Å; F680-S687 PolarHBondContact N-OG 3.09Å; G684-S687 PolarHBondContact O-N 2.92Å; G684-S687 PolarHBondContact O-OG 2.83Å; I685-S687 PolarHBondContact O-N 3.45Å; S687-Q690 PolarHBondContact O-N 3.48Å; S687-L691 VanDerWaalsContact O-CB 3.32Å; S687-L691 WeakPolarHBondContact O-CB 3.46Å; S687-L691 PolarHBondContact O-N 2.87Å
688I96.8Very high95.8Very high1 Ų110.1 Ų10.11%0.0056%0.061CC..Hα-helixtrans-69.4-43.1177.8-53.3-56.8000110.3F660 L663 F664 V676 F680 I685 K686 L691 G692F660-I688 HydrophobicContact CD1-CG2 3.62Å; F660-I688 HydrophobicContact CE1-CB 4.49Å; F660-I688 HydrophobicContact CE1-CG2 3.78Å; L663-I688 HydrophobicContact CB-CD1 4.48Å; L663-I688 HydrophobicContact CD2-CD1 4.08Å; L663-I688 HydrophobicContact CD2-CG1 3.97Å; F664-I688 HydrophobicContact CD2-CG2 4.22Å; F664-I688 HydrophobicContact CE2-CG2 3.82Å; V676-I688 HydrophobicContact CG1-CD1 3.65Å; F680-I688 HydrophobicContact CB-CD1 4.13Å; F680-I688 HydrophobicContact CD2-CG1 4.12Å; I685-I688 HydrophobicContact CD1-CB 3.87Å; I685-I688 HydrophobicContact CD1-CG1 3.89Å; I685-I688 HydrophobicContact CD1-CG2 4.19Å; I685-I688 WeakPolarHBondContact O-CB 3.35Å; I685-I688 PolarHBondContact O-N 2.93Å; K686-I688 VanDerWaalsContact C-N 3.26Å; K686-I688 PolarHBondContact O-N 3.38Å; I688-L691 PolarHBondContact O-N 3.01Å; I688-G692 PolarHBondContact O-N 3.48Å
689F97.1Very high95.6Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-60.2-47.4172.4-77.6-70.6000112.1D627 V630 F631 L634 F660 I685 K686 L691 G692 L693 L771 I776D627-F689 HydrophobicContact CB-CE1 4.43Å; D627-F689 HydrophobicContact CB-CE2 4.47Å; D627-F689 HydrophobicContact CB-CZ 3.67Å; D627-F689 WeakPolarHBondContact O-CE1 3.43Å; D627-F689 WeakPolarHBondContact OD2-CE2 3.42Å; D627-F689 WeakPolarHBondContact OD2-CZ 3.31Å; V630-F689 HydrophobicContact CB-CE1 4.11Å; V630-F689 HydrophobicContact CB-CZ 4.05Å; V630-F689 HydrophobicContact CG1-CE1 3.82Å; V630-F689 HydrophobicContact CG1-CZ 3.76Å; F631-F689 HydrophobicContact CB-CD1 4.17Å; F631-F689 HydrophobicContact CB-CE1 3.88Å; F631-F689 AromaticContact CD2-CD1 3.89Å; F631-F689 HydrophobicContact CD2-CD1 3.89Å; F631-F689 HydrophobicContact CD2-CE1 4.46Å; F631-F689 HydrophobicContact CG-CD1 4.46Å; L634-F689 HydrophobicContact CD1-CB 4.26Å; L634-F689 HydrophobicContact CD1-CD1 3.62Å; L634-F689 HydrophobicContact CD1-CE1 4.11Å; L634-F689 HydrophobicContact CD1-CG 4.04Å; F660-F689 AromaticContact CE1-CD1 3.77Å; F660-F689 HydrophobicContact CE1-CD1 3.77Å; F660-F689 HydrophobicContact CE1-CD2 4.4Å; F660-F689 AromaticContact CE1-CE1 3.7Å; F660-F689 HydrophobicContact CE1-CE1 3.7Å; F660-F689 HydrophobicContact CE1-CE2 4.34Å; F660-F689 HydrophobicContact CE1-CG 4.14Å; F660-F689 HydrophobicContact CE1-CZ 4Å; F660-F689 AromaticContact CZ-CD1 3.69Å; F660-F689 HydrophobicContact CZ-CD1 3.69Å; F660-F689 AromaticContact CZ-CE1 3.61Å; F660-F689 HydrophobicContact CZ-CE1 3.61Å; F660-F689 HydrophobicContact CZ-CG 4.46Å; F660-F689 HydrophobicContact CZ-CZ 4.32Å; I685-F689 HydrophobicContact CG1-CD2 4.15Å; I685-F689 HydrophobicContact CG1-CE2 3.85Å; I685-F689 HydrophobicContact CG2-CE2 4.38Å; I685-F689 WeakPolarHBondContact O-CD2 3.39Å; I685-F689 PolarHBondContact O-N 3.36Å; K686-F689 PolarHBondContact O-N 3.03Å; F689-L691 VanDerWaalsContact C-N 3.35Å; F689-L691 PolarHBondContact O-N 2.71Å; F689-G692 PolarHBondContact O-N 2.94Å; F689-L693 WeakPolarHBondContact O-CG 3.13Å; F689-L693 PolarHBondContact O-N 2.93Å; F689-L771 HydrophobicContact CB-CD2 3.91Å; F689-I776 HydrophobicContact CD2-CD1 3.96Å; F689-I776 HydrophobicContact CE2-CD1 4.39Å; F689-I776 HydrophobicContact CE2-CG2 3.99Å
690Q96.9Very high95.4Very high3 Ų311.4 Ų11.41%0.0147%0.071CC..Hα-helixtrans-61.6-44.1179.8-68.3173.8-52.900111.4K686 S687 L693 A694 A764 F768 L771K686-Q690 HydrophobicContact CG-CG 4.49Å; K686-Q690 WeakPolarHBondContact O-CG 3.16Å; K686-Q690 PolarHBondContact O-N 2.95Å; S687-Q690 PolarHBondContact O-N 3.48Å; Q690-L693 PolarHBondContact O-N 3.27Å; Q690-A694 PolarHBondContact O-N 3.13Å; Q690-A764 HydrophobicContact CB-CB 4.23Å; Q690-F768 HydrophobicContact CB-CB 4.4Å; Q690-F768 HydrophobicContact CG-CB 4.01Å; Q690-F768 PolarHBondContact NE2-O 3.48Å; Q690-L771 HydrophobicContact CG-CD2 4.06Å
691L97.3Very high95.1Very high6 Ų615.6 Ų15.63%0.03111%0.105CC..Hα-helixtrans-64.1-44.7176.8-178.262.4000111.6F664 V676 S687 I688 F689 L693 A694 V695 L760F664-L691 HydrophobicContact CD2-CD2 3.96Å; F664-L691 HydrophobicContact CE2-CB 4.43Å; F664-L691 HydrophobicContact CE2-CD2 3.9Å; F664-L691 HydrophobicContact CE2-CG 4.23Å; F664-L691 HydrophobicContact CG-CD2 4.32Å; F664-L691 HydrophobicContact CZ-CD2 4.21Å; F664-L691 HydrophobicContact CZ-CG 4.2Å; V676-L691 HydrophobicContact CB-CD2 4.22Å; V676-L691 HydrophobicContact CG1-CD2 3.64Å; V676-L691 HydrophobicContact CG2-CD2 3.47Å; V676-L691 VanDerWaalsContact CG2-CD2 3.47Å; S687-L691 VanDerWaalsContact O-CB 3.32Å; S687-L691 WeakPolarHBondContact O-CB 3.46Å; S687-L691 PolarHBondContact O-N 2.87Å; I688-L691 PolarHBondContact O-N 3.01Å; F689-L691 VanDerWaalsContact C-N 3.35Å; F689-L691 PolarHBondContact O-N 2.71Å; L691-L693 VanDerWaalsContact C-N 3.33Å; L691-L693 PolarHBondContact O-N 3.42Å; L691-A694 PolarHBondContact O-N 3.25Å; L691-A694 VanDerWaalsContact O-N 3.15Å; L691-V695 HydrophobicContact CD1-CG2 4.5Å; L691-V695 WeakPolarHBondContact O-CG2 3.45Å; L691-V695 PolarHBondContact O-N 2.89Å; L691-L760 HydrophobicContact CD1-CD2 3.85Å; L691-L760 HydrophobicContact CD1-CG 3.78Å
692G96.6Very high94.8Very high1 Ų120.8 Ų20.81%0.0113%0.129CC..Hα-helixtrans-58.2-43.917600000112.5I688 F689 A694 V695 L696I688-G692 PolarHBondContact O-N 3.48Å; F689-G692 PolarHBondContact O-N 2.94Å; G692-A694 VanDerWaalsContact C-N 3.34Å; G692-A694 PolarHBondContact O-N 3.09Å; G692-V695 PolarHBondContact O-N 3.25Å; G692-L696 WeakPolarHBondContact O-CG 3.39Å; G692-L696 PolarHBondContact O-N 3.12Å
693L96.9Very high94.6Very high1 Ų120.2 Ų20.21%0.00513%0.127CC..Hα-helixtrans-63.4-40.5175.5-70.8173000111.6F631 L634 I635 R638 L639 F689 Q690 L691 L696 D697 F768F631-L693 HydrophobicContact CD2-CD2 4.4Å; F631-L693 HydrophobicContact CE2-CD2 3.88Å; F631-L693 HydrophobicContact CE2-CG 3.9Å; L634-L693 HydrophobicContact CB-CD1 4.36Å; L634-L693 HydrophobicContact CB-CD2 4.29Å; I635-L693 HydrophobicContact CG1-CD2 4.1Å; R638-L693 HydrophobicContact CB-CD1 4.33Å; R638-L693 HydrophobicContact CG-CD1 4.36Å; L639-L693 HydrophobicContact CD1-CD2 4.12Å; L639-L693 HydrophobicContact CG-CD2 4.44Å; F689-L693 WeakPolarHBondContact O-CG 3.13Å; F689-L693 PolarHBondContact O-N 2.93Å; Q690-L693 PolarHBondContact O-N 3.27Å; L691-L693 VanDerWaalsContact C-N 3.33Å; L691-L693 PolarHBondContact O-N 3.42Å; L693-L696 PolarHBondContact O-N 3.47Å; L693-D697 VanDerWaalsContact O-CB 3.31Å; L693-D697 WeakPolarHBondContact O-CB 3.33Å; L693-D697 PolarHBondContact O-N 3.33Å; L693-F768 HydrophobicContact CB-CD1 4.22Å; L693-F768 HydrophobicContact CB-CD2 3.88Å; L693-F768 HydrophobicContact CB-CE1 3.93Å; L693-F768 HydrophobicContact CB-CE2 3.57Å; L693-F768 HydrophobicContact CB-CG 4.2Å; L693-F768 HydrophobicContact CB-CZ 3.6Å; L693-F768 HydrophobicContact CD1-CD1 3.81Å; L693-F768 HydrophobicContact CD1-CE1 4.13Å; L693-F768 HydrophobicContact CD1-CG 4.03Å
694A96.6Very high94.5Very high0 Ų020.9 Ų20.90%013%0.133CC..Hα-helixtrans-65.6-39177.300000112.6Q690 L691 G692 D697 A698 L760 A764 F768Q690-A694 PolarHBondContact O-N 3.13Å; L691-A694 PolarHBondContact O-N 3.25Å; L691-A694 VanDerWaalsContact O-N 3.15Å; G692-A694 VanDerWaalsContact C-N 3.34Å; G692-A694 PolarHBondContact O-N 3.09Å; A694-D697 PolarHBondContact O-N 3.23Å; A694-A698 VanDerWaalsContact O-CB 3.3Å; A694-A698 WeakPolarHBondContact O-CB 3.4Å; A694-A698 PolarHBondContact O-N 3.17Å; A694-L760 HydrophobicContact CB-CD1 4.11Å; A694-A764 HydrophobicContact CB-CB 3.65Å; A694-F768 HydrophobicContact CB-CE2 4.05Å
695V95.8Very high94.2Very high0 Ų024.1 Ų24.10%016%0.159CC..Hα-helixtrans-61.9-43.6174170.60000110.8W659 L691 G692 N699 L716 F719 L720 L760W659-V695 HydrophobicContact CH2-CG1 4.14Å; L691-V695 HydrophobicContact CD1-CG2 4.5Å; L691-V695 WeakPolarHBondContact O-CG2 3.45Å; L691-V695 PolarHBondContact O-N 2.89Å; G692-V695 PolarHBondContact O-N 3.25Å; V695-N699 PolarHBondContact O-N 3.06Å; V695-N699 PolarHBondContact O-ND2 3.23Å; V695-L716 HydrophobicContact CG1-CD2 4.02Å; V695-F719 HydrophobicContact CG1-CD1 4.14Å; V695-F719 HydrophobicContact CG1-CE1 4.23Å; V695-F719 HydrophobicContact CG2-CE1 4.25Å; V695-L720 HydrophobicContact CG1-CD2 4.13Å; V695-L720 HydrophobicContact CG1-CG 4.47Å; V695-L720 HydrophobicContact CG2-CD2 3.95Å; V695-L760 HydrophobicContact CG2-CD2 4.24Å
696L95.2Very high93.9Very high0 Ų025 Ų250%017%0.167CC..Hα-helixtrans-67.9-42.9177.2-66.7-178.2000112.3F631 I635 L639 L642 W659 G692 L693 A698 N699 A700 L703 L716F631-L696 HydrophobicContact CE1-CD1 3.72Å; F631-L696 HydrophobicContact CZ-CD1 3.52Å; F631-L696 HydrophobicContact CZ-CG 4.2Å; I635-L696 HydrophobicContact CD1-CD1 3.4Å; I635-L696 VanDerWaalsContact CD1-CD1 3.4Å; I635-L696 HydrophobicContact CG1-CD1 3.62Å; L639-L696 HydrophobicContact CD1-CB 3.75Å; L642-L696 HydrophobicContact CD2-CB 4.22Å; W659-L696 HydrophobicContact CH2-CD2 4.27Å; G692-L696 WeakPolarHBondContact O-CG 3.39Å; G692-L696 PolarHBondContact O-N 3.12Å; L693-L696 PolarHBondContact O-N 3.47Å; L696-A698 PolarHBondContact O-N 2.94Å; L696-N699 CarbonylContact O-C 3.42Å; L696-N699 PolarHBondContact O-N 2.58Å; L696-N699 VanDerWaalsContact O-N 3.16Å; L696-A700 WeakPolarHBondContact O-CA 3.28Å; L696-A700 PolarHBondContact O-N 3.02Å; L696-L703 HydrophobicContact CD2-CD1 3.82Å; L696-L716 HydrophobicContact CD2-CD1 4.33Å; L696-L716 HydrophobicContact CD2-CD2 3.98Å
697D94.9Very high93.3Very high52 Ų5228.9 Ų28.928%0.27819%0.193SC..Hα-helixtrans-60.1-45.5177.7-171.854.3000111.6L639 L693 A694 N699 A700 K767 F768L639-D697 HydrophobicContact CD1-CB 4.47Å; L639-D697 HydrophobicContact CD2-CB 3.8Å; L639-D697 WeakPolarHBondContact CD2-OD1 3.32Å; L693-D697 VanDerWaalsContact O-CB 3.31Å; L693-D697 WeakPolarHBondContact O-CB 3.33Å; L693-D697 PolarHBondContact O-N 3.33Å; A694-D697 PolarHBondContact O-N 3.23Å; D697-N699 PolarHBondContact O-N 2.78Å; D697-N699 VanDerWaalsContact O-N 3.16Å; D697-A700 WeakPolarHBondContact O-CB 3.23Å; D697-A700 PolarHBondContact O-N 3.35Å; D697-A700 VanDerWaalsContact O-N 3.16Å; D697-K767 IonicContact OD2-NZ 2.93Å; D697-K767 PolarHBondContact OD2-NZ 3.12Å; D697-F768 HydrophobicContact CB-CZ 4.44Å
698A93.9Very high92.9Very high52 Ų5232 Ų3243%0.4321%0.209SC..Hα-helixtrans-60.7-26.6177.600000113.2A694 L696 F719A694-A698 VanDerWaalsContact O-CB 3.3Å; A694-A698 WeakPolarHBondContact O-CB 3.4Å; A694-A698 PolarHBondContact O-N 3.17Å; L696-A698 PolarHBondContact O-N 2.94Å; A698-F719 HydrophobicContact CB-CE2 3.77Å; A698-F719 HydrophobicContact CB-CZ 3.61Å
699N93.6Very high92.3Very high7 Ų736.8 Ų36.84%0.03724%0.235CC..THydrogen-bonded Turntrans-108.16.7-179.1-65.9-78.2000113.3V695 L696 D697 A701 Q702 L703 I715 F719V695-N699 PolarHBondContact O-N 3.06Å; V695-N699 PolarHBondContact O-ND2 3.23Å; L696-N699 CarbonylContact O-C 3.42Å; L696-N699 PolarHBondContact O-N 2.58Å; L696-N699 VanDerWaalsContact O-N 3.16Å; D697-N699 PolarHBondContact O-N 2.78Å; D697-N699 VanDerWaalsContact O-N 3.16Å; N699-A701 VanDerWaalsContact C-N 3.3Å; N699-A701 PolarHBondContact O-N 3.36Å; N699-A701 VanDerWaalsContact O-N 3.15Å; N699-Q702 PolarHBondContact O-N 2.93Å; N699-L703 HydrophobicContact CB-CD1 3.96Å; N699-L703 HydrophobicContact CB-CG 4.02Å; N699-L703 WeakPolarHBondContact O-CG 3.33Å; N699-L703 PolarHBondContact O-N 3.49Å; N699-I715 HydrophobicContact CB-CG2 4.13Å; N699-F719 WeakPolarHBondContact ND2-CD1 3.18Å; N699-F719 WeakPolarHBondContact ND2-CD2 3.48Å; N699-F719 WeakPolarHBondContact ND2-CE2 3.32Å; N699-F719 WeakPolarHBondContact ND2-CG 3.45Å; N699-F719 VanDerWaalsContact OD1-CD2 3.25Å; N699-F719 WeakPolarHBondContact OD1-CD2 3.35Å
700A92.9Very high91.8Very high24 Ų2438.5 Ų38.520%0.19825%0.253CS..Hα-helixtrans-56.2-41.1-167.800000113.4L642 L696 D697 L703 S704L642-A700 HydrophobicContact CD1-CB 4.39Å; L696-A700 WeakPolarHBondContact O-CA 3.28Å; L696-A700 PolarHBondContact O-N 3.02Å; D697-A700 WeakPolarHBondContact O-CB 3.23Å; D697-A700 PolarHBondContact O-N 3.35Å; D697-A700 VanDerWaalsContact O-N 3.16Å; A700-L703 PolarHBondContact O-N 3.27Å; A700-S704 VanDerWaalsContact O-CB 3.3Å; A700-S704 WeakPolarHBondContact O-CB 3.41Å; A700-S704 PolarHBondContact O-N 2.94Å; A700-S704 PolarHBondContact O-OG 2.71Å
701A91.3Very high91.4Very high87 Ų8742.1 Ų42.172%0.71927%0.27SS*.Hα-helixtrans-65.6-38.4178.500000113N699 A705N699-A701 VanDerWaalsContact C-N 3.3Å; N699-A701 PolarHBondContact O-N 3.36Å; N699-A701 VanDerWaalsContact O-N 3.15Å; A701-A705 PolarHBondContact O-N 2.97Å
702Q91.3Very high91.1Very high111 Ų11142.1 Ų42.152%0.51927%0.271SS..Hα-helixtrans-74.5-42.3178.2-63.1-176.811.100110.8N699 S704 A705 C706 I715N699-Q702 PolarHBondContact O-N 2.93Å; Q702-S704 VanDerWaalsContact C-N 3.3Å; Q702-S704 PolarHBondContact O-N 3.02Å; Q702-A705 PolarHBondContact O-N 2.81Å; Q702-A705 VanDerWaalsContact O-N 3.1Å; Q702-C706 PolarHBondContact O-N 2.83Å; Q702-C706 PolarHBondContact O-SG 2.91Å; Q702-I715 HydrophobicContact CB-CD1 4.04Å; Q702-I715 HydrophobicContact CB-CG2 4.08Å
703L91.4Very high90.7Very high4 Ų445.9 Ų45.92%0.02129%0.29CS..Hα-helixtrans-61.6-38.3176.9-68.3174.5000112.2L642 L652 L696 N699 A700 A705 C706 A712 I715 L716L642-L703 HydrophobicContact CD1-CB 3.88Å; L642-L703 HydrophobicContact CD2-CD1 4.38Å; L652-L703 HydrophobicContact CD2-CD2 4.13Å; L696-L703 HydrophobicContact CD2-CD1 3.82Å; N699-L703 HydrophobicContact CB-CD1 3.96Å; N699-L703 HydrophobicContact CB-CG 4.02Å; N699-L703 WeakPolarHBondContact O-CG 3.33Å; N699-L703 PolarHBondContact O-N 3.49Å; A700-L703 PolarHBondContact O-N 3.27Å; L703-A705 PolarHBondContact O-N 3.05Å; L703-C706 VanDerWaalsContact CA-SG 3.59Å; L703-C706 VanDerWaalsContact O-CB 3.29Å; L703-C706 WeakPolarHBondContact O-CB 3.22Å; L703-C706 PolarHBondContact O-N 3.01Å; L703-A712 HydrophobicContact CD2-CB 4.11Å; L703-I715 HydrophobicContact CD2-CG2 4.21Å; L703-L716 HydrophobicContact CD1-CD2 4.21Å; L703-L716 HydrophobicContact CD2-CD1 4.43Å; L703-L716 HydrophobicContact CD2-CD2 4.27Å; L703-L716 HydrophobicContact CD2-CG 4.12Å
704S89.4Confident90.4Very high28 Ų2852.5 Ų52.520%0.19632%0.323CS..Hα-helixtrans-69.9-21.5177.2-56.80000113.3L642 Q645 A700 Q702L642-S704 WeakPolarHBondContact CD1-OG 3.27Å; Q645-S704 PolarHBondContact OE1-OG 3.39Å; A700-S704 VanDerWaalsContact O-CB 3.3Å; A700-S704 WeakPolarHBondContact O-CB 3.41Å; A700-S704 PolarHBondContact O-N 2.94Å; A700-S704 PolarHBondContact O-OG 2.71Å; Q702-S704 VanDerWaalsContact C-N 3.3Å; Q702-S704 PolarHBondContact O-N 3.02Å
705A88.6Confident90.2Very high74 Ų7454.1 Ų54.161%0.61233%0.331SS*.THydrogen-bonded Turntrans-90.7-5.2175.300000113A701 Q702 L703A701-A705 PolarHBondContact O-N 2.97Å; Q702-A705 PolarHBondContact O-N 2.81Å; Q702-A705 VanDerWaalsContact O-N 3.1Å; L703-A705 PolarHBondContact O-N 3.05Å
706C86.9Confident90.1Very high32 Ų3254.2 Ų54.222%0.21633%0.331CS..  trans-64.2139.8179.6-68.40000111.7Q702 L703 Q711 I715Q702-C706 PolarHBondContact O-N 2.83Å; Q702-C706 PolarHBondContact O-SG 2.91Å; L703-C706 VanDerWaalsContact CA-SG 3.59Å; L703-C706 VanDerWaalsContact O-CB 3.29Å; L703-C706 WeakPolarHBondContact O-CB 3.22Å; L703-C706 PolarHBondContact O-N 3.01Å; C706-Q711 HydrophobicContact CB-CB 4.49Å; C706-I715 WeakPolarHBondContact SG-CD1 3.32Å
707T81.8Confident89.9Confident115 Ų11557.1 Ų57.171%0.70635%0.349SS*.SBendtrans-98-18.9176.258.20000113.6Q711T707-Q711 PolarHBondContact OG1-NE2 2.9Å
708D84.8Confident89.8Confident75 Ų7557.4 Ų57.440%0.40136%0.356SS..SBendtrans-154.1164.2-177.46583.1000112.2G710 Q711 A712D708-G710 VanDerWaalsContact C-N 3.28Å; D708-G710 PolarHBondContact O-N 3.32Å; D708-G710 WeakPolarHBondContact OD1-CA 3.3Å; D708-G710 PolarHBondContact OD1-N 2.86Å; D708-Q711 PolarHBondContact O-N 3.22Å; D708-Q711 PolarHBondContact OD1-N 2.93Å; D708-Q711 WeakPolarHBondContact OD2-CG 3.11Å; D708-Q711 PolarHBondContact OD2-NE2 2.94Å; D708-A712 PolarHBondContact O-N 2.88Å
709D84.2Confident89.8Confident100 Ų10055.9 Ų55.954%0.53534%0.339SS..Hα-helixtrans-60.8-33.2-177.8-62.5-14.2000113.6T651 A712 L713T651-D709 WeakPolarHBondContact CB-OD1 3.2Å; T651-D709 HydrophobicContact CG2-CB 3.43Å; T651-D709 VanDerWaalsContact CG2-CB 3.43Å; T651-D709 WeakPolarHBondContact CG2-OD1 3.19Å; T651-D709 PolarHBondContact OG1-OD1 3.3Å; T651-D709 PolarHBondContact OG1-OD2 3.23Å; D709-A712 PolarHBondContact O-N 3.18Å; D709-L713 PolarHBondContact O-N 3.26Å
710G87.4Confident89.8Confident37 Ų3755.7 Ų55.738%0.38134%0.338SS..Hα-helixtrans-67-41.418000000111.6D708 L713 M714D708-G710 VanDerWaalsContact C-N 3.28Å; D708-G710 PolarHBondContact O-N 3.32Å; D708-G710 WeakPolarHBondContact OD1-CA 3.3Å; D708-G710 PolarHBondContact OD1-N 2.86Å; G710-L713 PolarHBondContact O-N 3.42Å; G710-M714 WeakPolarHBondContact O-CG 3.46Å; G710-M714 PolarHBondContact O-N 3.48Å
711Q89.4Confident89.7Confident78 Ų7859.5 Ų59.536%0.36436%0.355SS..Hα-helixtrans-63.7-43.2174.5-71.6-178.240.700112.2C706 T707 D708 L713 M714 I715C706-Q711 HydrophobicContact CB-CB 4.49Å; T707-Q711 PolarHBondContact OG1-NE2 2.9Å; D708-Q711 PolarHBondContact O-N 3.22Å; D708-Q711 PolarHBondContact OD1-N 2.93Å; D708-Q711 WeakPolarHBondContact OD2-CG 3.11Å; D708-Q711 PolarHBondContact OD2-NE2 2.94Å; Q711-L713 VanDerWaalsContact C-N 3.32Å; Q711-L713 PolarHBondContact O-N 3.15Å; Q711-M714 PolarHBondContact O-N 3.1Å; Q711-I715 WeakPolarHBondContact O-CG1 3.32Å; Q711-I715 PolarHBondContact O-N 3.04Å
712A89.1Confident89.6Confident7 Ų758.5 Ų58.56%0.05834%0.335CS..Hα-helixtrans-59.6-43.8176.300000111.3L652 L703 D708 D709 I715 L716L652-A712 HydrophobicContact CD2-CB 4.19Å; L703-A712 HydrophobicContact CD2-CB 4.11Å; D708-A712 PolarHBondContact O-N 2.88Å; D709-A712 PolarHBondContact O-N 3.18Å; A712-I715 PolarHBondContact O-N 3.24Å; A712-L716 VanDerWaalsContact O-CG 3.32Å; A712-L716 WeakPolarHBondContact O-CG 3.49Å; A712-L716 PolarHBondContact O-N 3.3Å
713L89.9Confident89.6Confident80 Ų8053.2 Ų53.242%0.41931%0.311SS..Hα-helixtrans-62.1-42.9175.4179.663000112.2V655 D709 G710 Q711 L716 T717V655-L713 HydrophobicContact CG1-CD1 3.67Å; V655-L713 HydrophobicContact CG2-CD1 4Å; D709-L713 PolarHBondContact O-N 3.26Å; G710-L713 PolarHBondContact O-N 3.42Å; Q711-L713 VanDerWaalsContact C-N 3.32Å; Q711-L713 PolarHBondContact O-N 3.15Å; L713-L716 PolarHBondContact O-N 2.95Å; L713-T717 VanDerWaalsContact O-CB 3.29Å; L713-T717 WeakPolarHBondContact O-CB 3.37Å; L713-T717 PolarHBondContact O-N 3.41Å; L713-T717 PolarHBondContact O-OG1 2.91Å
714M90.4Very high89.1Confident140 Ų14053.2 Ų53.269%0.6931%0.312SS*.Hα-helixtrans-63.5-42.4177.9-75-175.367.500112.4G710 Q711 S718G710-M714 WeakPolarHBondContact O-CG 3.46Å; G710-M714 PolarHBondContact O-N 3.48Å; Q711-M714 PolarHBondContact O-N 3.1Å; M714-S718 WeakPolarHBondContact O-CB 3.37Å; M714-S718 PolarHBondContact O-N 3.05Å
715I92.3Very high88Confident34 Ų3452.8 Ų52.817%0.17431%0.309CS..Hα-helixtrans-60.6-50.6176.7-75.2157.2000110.3N699 Q702 L703 C706 Q711 A712 S718 F719N699-I715 HydrophobicContact CB-CG2 4.13Å; Q702-I715 HydrophobicContact CB-CD1 4.04Å; Q702-I715 HydrophobicContact CB-CG2 4.08Å; L703-I715 HydrophobicContact CD2-CG2 4.21Å; C706-I715 WeakPolarHBondContact SG-CD1 3.32Å; Q711-I715 WeakPolarHBondContact O-CG1 3.32Å; Q711-I715 PolarHBondContact O-N 3.04Å; A712-I715 PolarHBondContact O-N 3.24Å; I715-S718 PolarHBondContact O-N 3.48Å; I715-F719 WeakPolarHBondContact O-CB 3.39Å; I715-F719 PolarHBondContact O-N 3.46Å
716L93.2Very high86.5Confident1 Ų156.6 Ų56.61%0.00531%0.314CS..Hα-helixtrans-64.7-43.1-178.8-67.4172000112.1L652 V655 W659 V695 L696 L703 A712 L713 F719 L720L652-L716 HydrophobicContact CD2-CD1 4.38Å; V655-L716 HydrophobicContact CG1-CD1 4.15Å; W659-L716 HydrophobicContact CH2-CD1 4.09Å; W659-L716 HydrophobicContact CH2-CD2 4.3Å; W659-L716 HydrophobicContact CZ2-CB 4.37Å; W659-L716 HydrophobicContact CZ2-CD1 4.06Å; V695-L716 HydrophobicContact CG1-CD2 4.02Å; L696-L716 HydrophobicContact CD2-CD1 4.33Å; L696-L716 HydrophobicContact CD2-CD2 3.98Å; L703-L716 HydrophobicContact CD1-CD2 4.21Å; L703-L716 HydrophobicContact CD2-CD1 4.43Å; L703-L716 HydrophobicContact CD2-CD2 4.27Å; L703-L716 HydrophobicContact CD2-CG 4.12Å; A712-L716 VanDerWaalsContact O-CG 3.32Å; A712-L716 WeakPolarHBondContact O-CG 3.49Å; A712-L716 PolarHBondContact O-N 3.3Å; L713-L716 PolarHBondContact O-N 2.95Å; L716-F719 PolarHBondContact O-N 3.11Å; L716-L720 WeakPolarHBondContact O-CB 3.46Å; L716-L720 WeakPolarHBondContact O-CG 3.29Å; L716-L720 PolarHBondContact O-N 3.12Å
717T91.9Very high84.8Confident62 Ų6259.5 Ų59.538%0.3832%0.324SS..Hα-helixtrans-64.6-47.1178.2-53.30000110.4L713 F719 L720 D721L713-T717 VanDerWaalsContact O-CB 3.29Å; L713-T717 WeakPolarHBondContact O-CB 3.37Å; L713-T717 PolarHBondContact O-N 3.41Å; L713-T717 PolarHBondContact O-OG1 2.91Å; T717-F719 VanDerWaalsContact C-N 3.31Å; T717-F719 PolarHBondContact O-N 3.48Å; T717-L720 PolarHBondContact O-N 3.44Å; T717-D721 WeakPolarHBondContact O-CB 3.39Å; T717-D721 VanDerWaalsContact O-CG 3.26Å; T717-D721 PolarHBondContact O-N 3.31Å
718S92.1Very high82.9Confident58 Ų5857 Ų5741%0.40631%0.312SS..Hα-helixtrans-62.6-37.3178.6-174.20000112.6M714 I715 Q722M714-S718 WeakPolarHBondContact O-CB 3.37Å; M714-S718 PolarHBondContact O-N 3.05Å; I715-S718 PolarHBondContact O-N 3.48Å; S718-Q722 VanDerWaalsContact O-CG 3.28Å; S718-Q722 WeakPolarHBondContact O-CG 3.44Å; S718-Q722 PolarHBondContact O-N 3.32Å; S718-Q722 PolarHBondContact O-NE2 2.99Å; S718-Q722 PolarHBondContact OG-NE2 2.6Å
719F93.9Very high80.6Confident20 Ų2058.6 Ų58.69%0.08833%0.326CS..Hα-helixtrans-64.4-50.2174177.8-89.4000111.2V695 A698 N699 I715 L716 T717 D721 Q722 V723 I755 L760V695-F719 HydrophobicContact CG1-CD1 4.14Å; V695-F719 HydrophobicContact CG1-CE1 4.23Å; V695-F719 HydrophobicContact CG2-CE1 4.25Å; A698-F719 HydrophobicContact CB-CE2 3.77Å; A698-F719 HydrophobicContact CB-CZ 3.61Å; N699-F719 WeakPolarHBondContact ND2-CD1 3.18Å; N699-F719 WeakPolarHBondContact ND2-CD2 3.48Å; N699-F719 WeakPolarHBondContact ND2-CE2 3.32Å; N699-F719 WeakPolarHBondContact ND2-CG 3.45Å; N699-F719 VanDerWaalsContact OD1-CD2 3.25Å; N699-F719 WeakPolarHBondContact OD1-CD2 3.35Å; I715-F719 WeakPolarHBondContact O-CB 3.39Å; I715-F719 PolarHBondContact O-N 3.46Å; L716-F719 PolarHBondContact O-N 3.11Å; T717-F719 VanDerWaalsContact C-N 3.31Å; T717-F719 PolarHBondContact O-N 3.48Å; F719-D721 VanDerWaalsContact C-N 3.33Å; F719-D721 PolarHBondContact O-N 3.44Å; F719-Q722 WeakPolarHBondContact O-CB 3.3Å; F719-Q722 PolarHBondContact O-N 2.91Å; F719-Q722 VanDerWaalsContact O-N 3.11Å; F719-V723 HydrophobicContact CD1-CG2 4.27Å; F719-V723 HydrophobicContact CE1-CG2 4.04Å; F719-V723 WeakPolarHBondContact O-CG2 3.05Å; F719-V723 PolarHBondContact O-N 3.3Å; F719-I755 HydrophobicContact CD2-CD1 3.73Å; F719-I755 HydrophobicContact CE1-CD1 4.33Å; F719-I755 HydrophobicContact CE2-CD1 3.07Å; F719-I755 HydrophobicContact CZ-CD1 3.42Å; F719-I755 VanDerWaalsContact CZ-CD1 3.42Å; F719-L760 HydrophobicContact CE1-CD2 4.35Å
720L93.6Very high78.1Confident3 Ų360 Ų602%0.01634%0.342CS..Hα-helixtrans-64.7-35.9-177.7-69.5168.7000112.3W659 F664 V667 L668 P669 V695 L716 T717 Q722 V723W659-L720 HydrophobicContact CZ2-CD1 4.13Å; F664-L720 HydrophobicContact CD1-CD2 4.41Å; F664-L720 HydrophobicContact CE1-CD2 4.34Å; V667-L720 HydrophobicContact CB-CD1 4.12Å; V667-L720 HydrophobicContact CG2-CD1 4.01Å; V667-L720 WeakPolarHBondContact O-CB 3.31Å; L668-L720 HydrophobicContact CD2-CB 4.08Å; L668-L720 HydrophobicContact CD2-CD2 3.62Å; L668-L720 HydrophobicContact CD2-CG 4.46Å; L668-L720 HydrophobicContact CG-CD2 4.25Å; P669-L720 VanDerWaalsContact CD-O 3.29Å; P669-L720 WeakPolarHBondContact CD-O 3.19Å; V695-L720 HydrophobicContact CG1-CD2 4.13Å; V695-L720 HydrophobicContact CG1-CG 4.47Å; V695-L720 HydrophobicContact CG2-CD2 3.95Å; L716-L720 WeakPolarHBondContact O-CB 3.46Å; L716-L720 WeakPolarHBondContact O-CG 3.29Å; L716-L720 PolarHBondContact O-N 3.12Å; T717-L720 PolarHBondContact O-N 3.44Å; L720-Q722 PolarHBondContact O-N 2.96Å; L720-V723 WeakPolarHBondContact O-CB 3.47Å; L720-V723 PolarHBondContact O-N 2.76Å; L720-V723 VanDerWaalsContact O-N 3.14Å
721D90.5Very high75.6Confident103 Ų10364.4 Ų64.455%0.55136%0.361SS*.Hα-helixtrans-62.1-28.3174.2-74-23.1000112.8T717 F719T717-D721 WeakPolarHBondContact O-CB 3.39Å; T717-D721 VanDerWaalsContact O-CG 3.26Å; T717-D721 PolarHBondContact O-N 3.31Å; F719-D721 VanDerWaalsContact C-N 3.33Å; F719-D721 PolarHBondContact O-N 3.44Å
722Q89.9Confident73Confident66 Ų6665.6 Ų65.631%0.30838%0.376SS..THydrogen-bonded Turntrans-86.7-5.4179.1-68.1169.652.100113.5S718 F719 L720 G724 I755S718-Q722 VanDerWaalsContact O-CG 3.28Å; S718-Q722 WeakPolarHBondContact O-CG 3.44Å; S718-Q722 PolarHBondContact O-N 3.32Å; S718-Q722 PolarHBondContact O-NE2 2.99Å; S718-Q722 PolarHBondContact OG-NE2 2.6Å; F719-Q722 WeakPolarHBondContact O-CB 3.3Å; F719-Q722 PolarHBondContact O-N 2.91Å; F719-Q722 VanDerWaalsContact O-N 3.11Å; L720-Q722 PolarHBondContact O-N 2.96Å; Q722-G724 PolarHBondContact O-N 3.19Å; Q722-I755 PolarHBondContact O-N 3.19Å
723V90.2Very high70.6Confident0 Ų070.6 Ų70.60%041%0.408CS..EExtended strand (participates in β ladder)trans-81.7100.61781800000109.6L668 P669 S672 F719 L720 I755 I757 L760L668-V723 HydrophobicContact CD2-CB 3.83Å; L668-V723 HydrophobicContact CD2-CG1 4.09Å; L668-V723 HydrophobicContact CD2-CG2 4.31Å; P669-V723 WeakPolarHBondContact CD-O 3.5Å; P669-V723 WeakPolarHBondContact CG-O 3.38Å; S672-V723 PolarHBondContact OG-O 3.36Å; F719-V723 HydrophobicContact CD1-CG2 4.27Å; F719-V723 HydrophobicContact CE1-CG2 4.04Å; F719-V723 WeakPolarHBondContact O-CG2 3.05Å; F719-V723 PolarHBondContact O-N 3.3Å; L720-V723 WeakPolarHBondContact O-CB 3.47Å; L720-V723 PolarHBondContact O-N 2.76Å; L720-V723 VanDerWaalsContact O-N 3.14Å; V723-I755 WeakPolarHBondContact CA-O 3.46Å; V723-I755 HydrophobicContact CG2-CB 4.31Å; V723-I755 HydrophobicContact CG2-CG2 4.37Å; V723-I757 HydrophobicContact CG1-CB 3.9Å; V723-I757 HydrophobicContact CG1-CD1 3.82Å; V723-I757 HydrophobicContact CG1-CG1 4.41Å; V723-L760 HydrophobicContact CG1-CD2 4.25Å; V723-L760 HydrophobicContact CG2-CD2 4.17Å
724G82.1Confident68.2Low4 Ų472.2 Ų72.24%0.04142%0.423CS..EExtended strand (participates in β ladder)trans-117.1170.6179.900000114.1S672 Q722 H754 I755 N756 I757S672-G724 WeakPolarHBondContact OG-CA 3.31Å; Q722-G724 PolarHBondContact O-N 3.19Å; G724-H754 WeakPolarHBondContact CA-CE1 3.49Å; G724-I755 PolarHBondContact N-O 3.14Å; G724-N756 WeakPolarHBondContact O-CA 3.43Å; G724-I757 PolarHBondContact O-N 3.32Å; G724-I757 VanDerWaalsContact O-N 3.15Å
725S65.6Low65.7Low20 Ų2071.1 Ų71.114%0.1443%0.427CS..  trans-93.3155.3166.8-178.40000109.6E727 S728S725-E727 PolarHBondContact O-N 3.25Å; S725-S728 PolarHBondContact O-N 2.79Å
726E57.4Low63.6Low153 Ų15375 Ų7572%0.71545%0.454SS*.THydrogen-bonded Turntrans-59.2-11.1176.3-60.5-158.5155.400113.5N756E726-N756 VanDerWaalsContact CG-ND2 3.31Å; E726-N756 WeakPolarHBondContact CG-ND2 3.42Å
727E52.2Low61.2Low93 Ų9380.4 Ų80.444%0.43549%0.489SS..THydrogen-bonded Turntrans-91.30.5-175.9-61.9-174.8154.600114.7S725 P729S725-E727 PolarHBondContact O-N 3.25Å; E727-P729 WeakPolarHBondContact O-CD 3.4Å
728S40.3Very low58.7Low63 Ų6382.6 Ų82.644%0.44151%0.513SS..  trans-76.9121.6176-72.20000111.5S725 C730S725-S728 PolarHBondContact O-N 2.79Å; S728-C730 PolarHBondContact O-N 2.66Å
729P38.1Very low56.1Low108 Ų10886.2 Ų86.270%0.70153%0.533SS*.  trans-66.8127.6169.2-0.713.7000108.4E727 V731E727-P729 WeakPolarHBondContact O-CD 3.4Å; P729-V731 PolarHBondContact O-N 3.42Å
730C30.8Very low53.4Low129 Ų12994.4 Ų94.487%0.87257%0.572SS**  trans-53.8104.6168.4-68.10000109.5S728 P732S728-C730 PolarHBondContact O-N 2.66Å; C730-P732 WeakPolarHBondContact O-CD 3.43Å
731V35.3Very low50.7Low130 Ų130103.4 Ų103.479%0.78861%0.614SS**PPolyproline II helixtrans-75.2117.8161.1179.90000105.8P729P729-V731 PolarHBondContact O-N 3.42Å
732P34.2Very low47.9Very low103 Ų103106.3 Ų106.367%0.66963%0.63SS**PPolyproline II helixtrans-63.8142.5173-9.824.3000108.5C730C730-P732 WeakPolarHBondContact O-CD 3.43Å
733P39.1Very low45.3Very low113 Ų113108.4 Ų108.473%0.73465%0.652SS**PPolyproline II helixtrans-57.4149170.924.6-31.6000110
734P38.7Very low42.3Very low114 Ų114114.2 Ų114.274%0.7469%0.691SS**PPolyproline II helixtrans-59.3142.8177.624.7-32000110
735P39.1Very low39.8Very low117 Ų117118.9 Ų118.976%0.7672%0.722SS**PPolyproline II helixtrans-63.5138.3179.426.2-31.9000109.6
736P47.8Very low38.4Very low114 Ų114126 Ų12674%0.7476%0.759SS**PPolyproline II helixtrans-64.2149175.126.4-31.6000110A738P736-A738 PolarHBondContact O-N 3.14Å
737P41.5Very low37.2Very low115 Ų115124.8 Ų124.875%0.74776%0.762SS**PPolyproline II helixtrans-62.9133176.826-31.7000109.8T739P737-T739 PolarHBondContact O-N 2.96Å; P737-T739 PolarHBondContact O-OG1 2.62Å
738A39.6Very low36.5Very low108 Ų108128.4 Ų128.489%0.89379%0.785SS**  trans-53.6112.4-17900000111.1P736P736-A738 PolarHBondContact O-N 3.14Å
739T37.3Very low36.2Very low134 Ų134129.5 Ų129.582%0.82280%0.798SS**  trans-138.4147.8162.823.30000108.9P737P737-T739 PolarHBondContact O-N 2.96Å; P737-T739 PolarHBondContact O-OG1 2.62Å
740E38Very low36.2Very low192 Ų192129.9 Ų129.990%0.89780%0.8SS**  trans-68.8156.4-147.5-66.7167.2163.700115.6N742E740-N742 PolarHBondContact O-N 3.38Å
741E38Very low36.7Very low192 Ų192128 Ų12890%0.89779%0.794SS**  trans-40.3123.3174.1-61.6173.4162.100113.2
742N30.6Very low37.3Very low165 Ų165127.5 Ų127.588%0.88279%0.79SS**  trans-153.7132142.8-115.3-3.7000112.5E740E740-N742 PolarHBondContact O-N 3.38Å
743S34.6Very low38.4Very low110 Ų110132.7 Ų132.777%0.76980%0.797SS**  trans-71153.2-172.452.80000115.1
744C28.6Very low39.9Very low122 Ų122133 Ų13382%0.82479%0.788SS**  trans101.399148.8-147.10000117.6
745S28.3Very low42.2Very low101 Ų101129.7 Ų129.771%0.70676%0.764SS**  167.2135.8108.346.70000110.9T747S745-T747 PolarHBondContact O-N 3.21Å
746D37Very low44.6Very low171 Ų171125.3 Ų125.391%0.91473%0.734SS**  trans-51.7116.5169.9-69.6-49.9000110.6
747T32.3Very low46.8Very low126 Ų126119.9 Ų119.977%0.77370%0.699SS**  trans-132.5114.115828.40000107.3S745 A749S745-T747 PolarHBondContact O-N 3.21Å; T747-A749 PolarHBondContact O-N 3.2Å
748D36.6Very low49.2Very low170 Ų170115.9 Ų115.991%0.90967%0.672SS**  trans-53.898.2166.7-79.6-41.3000108.7
749A33.8Very low51.7Low86 Ų86115.6 Ų115.671%0.71166%0.656SS**PPolyproline II helixtrans-66.1125.3165.400000107.3T747 A751T747-A749 PolarHBondContact O-N 3.2Å; A749-A751 PolarHBondContact O-N 3.08Å
750P38.3Very low54.5Low116 Ų116109.4 Ų109.475%0.75362%0.617SS**PPolyproline II helixtrans-63.7124.6-178.625.5-30.7000108.5V752P750-V752 PolarHBondContact O-N 2.89Å; P750-V752 VanDerWaalsContact O-N 3.1Å
751A41.8Very low57.2Low89 Ų89100.6 Ų100.674%0.73658%0.577SS**PPolyproline II helixtrans-52.3119.1174.300000109.4A749 R753A749-A751 PolarHBondContact O-N 3.08Å; A751-R753 PolarHBondContact O-N 3.47Å
752V49Very low59.8Low119 Ų11994.2 Ų94.272%0.72155%0.553SS**  trans-58.7108.3176.6179.60000107.8P750 H754P750-V752 PolarHBondContact O-N 2.89Å; P750-V752 VanDerWaalsContact O-N 3.1Å; V752-H754 PolarHBondContact O-N 3.29Å; V752-H754 VanDerWaalsContact O-N 3.14Å
753R56.9Low62.8Low213 Ų21390 Ų9080%0.80453%0.528SS*.  trans-76.3100.3178.7-76.2-175.9178.7174.40.1108.4A751 I755A751-R753 PolarHBondContact O-N 3.47Å; R753-I755 PolarHBondContact O-N 3.39Å
754H70.6Confident65.7Low120 Ų12084.9 Ų84.956%0.55649%0.492SS*.PPolyproline II helixtrans-68.3125.3171.4-165.1-87.8000109.5G724 V752G724-H754 WeakPolarHBondContact CA-CE1 3.49Å; V752-H754 PolarHBondContact O-N 3.29Å; V752-H754 VanDerWaalsContact O-N 3.14Å
755I85.6Confident68.6Low44 Ų4480.2 Ų80.223%0.22646%0.459CS..EExtended strand (participates in β ladder)trans-97.9126.8-177-60.7174.5000108.2F719 Q722 V723 G724 R753 L760F719-I755 HydrophobicContact CD2-CD1 3.73Å; F719-I755 HydrophobicContact CE1-CD1 4.33Å; F719-I755 HydrophobicContact CE2-CD1 3.07Å; F719-I755 HydrophobicContact CZ-CD1 3.42Å; F719-I755 VanDerWaalsContact CZ-CD1 3.42Å; Q722-I755 PolarHBondContact O-N 3.19Å; V723-I755 WeakPolarHBondContact CA-O 3.46Å; V723-I755 HydrophobicContact CG2-CB 4.31Å; V723-I755 HydrophobicContact CG2-CG2 4.37Å; G724-I755 PolarHBondContact N-O 3.14Å; R753-I755 PolarHBondContact O-N 3.39Å; I755-L760 HydrophobicContact CG2-CB 4.39Å
756N90.6Very high71.6Confident24 Ų2477.6 Ų77.613%0.12845%0.448CS..EExtended strand (participates in β ladder)trans-79.5127.4176-171.2-37.3000110G724 E726 T758 D759 L760G724-N756 WeakPolarHBondContact O-CA 3.43Å; E726-N756 VanDerWaalsContact CG-ND2 3.31Å; E726-N756 WeakPolarHBondContact CG-ND2 3.42Å; N756-T758 PolarHBondContact O-N 3.03Å; N756-T758 VanDerWaalsContact OD1-CB 3.28Å; N756-T758 WeakPolarHBondContact OD1-CB 3.28Å; N756-T758 PolarHBondContact OD1-N 3.14Å; N756-T758 PolarHBondContact OD1-OG1 3.47Å; N756-D759 HydrophobicContact CB-CB 4.3Å; N756-D759 PolarHBondContact O-N 3.44Å; N756-L760 PolarHBondContact O-N 3.26Å; N756-L760 VanDerWaalsContact O-N 3.1Å
757I93.3Very high74.3Confident0 Ų074.4 Ų74.40%043%0.426CS..Hα-helixtrans-56.9-35.8177.3-175.958.9000113.1L668 C675 V676 V723 G724 D759 L760 I761L668-I757 HydrophobicContact CD1-CD1 4.42Å; C675-I757 HydrophobicContact CB-CG1 4.25Å; V676-I757 HydrophobicContact CG2-CD1 4.04Å; V723-I757 HydrophobicContact CG1-CB 3.9Å; V723-I757 HydrophobicContact CG1-CD1 3.82Å; V723-I757 HydrophobicContact CG1-CG1 4.41Å; G724-I757 PolarHBondContact O-N 3.32Å; G724-I757 VanDerWaalsContact O-N 3.15Å; I757-D759 VanDerWaalsContact C-N 3.33Å; I757-D759 PolarHBondContact O-N 2.98Å; I757-L760 PolarHBondContact O-N 2.92Å; I757-I761 HydrophobicContact CD1-CD1 4.02Å; I757-I761 HydrophobicContact CD1-CG1 4.07Å; I757-I761 HydrophobicContact CG1-CD1 3.81Å; I757-I761 HydrophobicContact CG1-CG1 4.3Å; I757-I761 VanDerWaalsContact O-CG1 3.31Å; I757-I761 WeakPolarHBondContact O-CG1 3.49Å; I757-I761 PolarHBondContact O-N 2.89Å
758T92.4Very high77.2Confident32 Ų3268.9 Ų68.920%0.19639%0.391CS..Hα-helixtrans-64.3-40.6179.6-55.70000111.2M496 N756 S762M496-T758 HydrophobicContact CG-CG2 4.16Å; N756-T758 PolarHBondContact O-N 3.03Å; N756-T758 VanDerWaalsContact OD1-CB 3.28Å; N756-T758 WeakPolarHBondContact OD1-CB 3.28Å; N756-T758 PolarHBondContact OD1-N 3.14Å; N756-T758 PolarHBondContact OD1-OG1 3.47Å; T758-S762 VanDerWaalsContact O-CB 3.26Å; T758-S762 WeakPolarHBondContact O-CB 3.4Å; T758-S762 PolarHBondContact O-N 2.64Å; T758-S762 PolarHBondContact O-OG 2.78Å
759D92.2Very high79.7Confident101 Ų10170.7 Ų70.754%0.5439%0.386SS..Hα-helixtrans-69.1-43.6178.1-66.8-25.9000110.3N756 I757 I761 S762 E763N756-D759 HydrophobicContact CB-CB 4.3Å; N756-D759 PolarHBondContact O-N 3.44Å; I757-D759 VanDerWaalsContact C-N 3.33Å; I757-D759 PolarHBondContact O-N 2.98Å; D759-I761 PolarHBondContact O-N 3.21Å; D759-S762 PolarHBondContact O-N 3.35Å; D759-E763 VanDerWaalsContact O-CB 3.29Å; D759-E763 WeakPolarHBondContact O-CB 3.37Å; D759-E763 PolarHBondContact O-N 2.81Å
760L95.1Very high82.3Confident4 Ų470.7 Ų70.72%0.02137%0.374CS..Hα-helixtrans-62-43.8177.6-177.262.4000112.1L691 A694 V695 F719 V723 I755 N756 I757 E763 A764L691-L760 HydrophobicContact CD1-CD2 3.85Å; L691-L760 HydrophobicContact CD1-CG 3.78Å; A694-L760 HydrophobicContact CB-CD1 4.11Å; V695-L760 HydrophobicContact CG2-CD2 4.24Å; F719-L760 HydrophobicContact CE1-CD2 4.35Å; V723-L760 HydrophobicContact CG1-CD2 4.25Å; V723-L760 HydrophobicContact CG2-CD2 4.17Å; I755-L760 HydrophobicContact CG2-CB 4.39Å; N756-L760 PolarHBondContact O-N 3.26Å; N756-L760 VanDerWaalsContact O-N 3.1Å; I757-L760 PolarHBondContact O-N 2.92Å; L760-E763 PolarHBondContact O-N 2.91Å; L760-A764 WeakPolarHBondContact O-CB 3.39Å; L760-A764 PolarHBondContact O-N 2.85Å
761I95.4Very high84.9Confident8 Ų865.4 Ų65.44%0.04134%0.339CS..Hα-helixtrans-64-45.4174.7-69.2170000110.3A495 C675 I757 D759 E763 A764 L765A495-I761 HydrophobicContact CB-CG2 3.74Å; C675-I761 HydrophobicContact CB-CD1 4.15Å; I757-I761 HydrophobicContact CD1-CD1 4.02Å; I757-I761 HydrophobicContact CD1-CG1 4.07Å; I757-I761 HydrophobicContact CG1-CD1 3.81Å; I757-I761 HydrophobicContact CG1-CG1 4.3Å; I757-I761 VanDerWaalsContact O-CG1 3.31Å; I757-I761 WeakPolarHBondContact O-CG1 3.49Å; I757-I761 PolarHBondContact O-N 2.89Å; D759-I761 PolarHBondContact O-N 3.21Å; I761-E763 VanDerWaalsContact C-N 3.32Å; I761-E763 PolarHBondContact O-N 3.35Å; I761-A764 WeakPolarHBondContact O-CB 3.45Å; I761-A764 PolarHBondContact O-N 2.97Å; I761-L765 HydrophobicContact CG2-CD1 3.94Å; I761-L765 HydrophobicContact CG2-CG 4.31Å; I761-L765 VanDerWaalsContact O-CG 3.27Å; I761-L765 WeakPolarHBondContact O-CG 3.44Å; I761-L765 PolarHBondContact O-N 3.38Å
762S93.3Very high87.2Confident58 Ų5862.2 Ų62.241%0.40631%0.311SS..Hα-helixtrans-62.9-39.5179.9-62.70000112T758 D759 G766T758-S762 VanDerWaalsContact O-CB 3.26Å; T758-S762 WeakPolarHBondContact O-CB 3.4Å; T758-S762 PolarHBondContact O-N 2.64Å; T758-S762 PolarHBondContact O-OG 2.78Å; D759-S762 PolarHBondContact O-N 3.35Å; S762-G766 PolarHBondContact O-N 2.97Å
763E93.5Very high89.2Confident75 Ų7557.4 Ų57.435%0.3528%0.282SS..Hα-helixtrans-63.7-46173.6-179.2172.4-177.700111.5D759 L760 I761 L765 G766 K767D759-E763 VanDerWaalsContact O-CB 3.29Å; D759-E763 WeakPolarHBondContact O-CB 3.37Å; D759-E763 PolarHBondContact O-N 2.81Å; L760-E763 PolarHBondContact O-N 2.91Å; I761-E763 VanDerWaalsContact C-N 3.32Å; I761-E763 PolarHBondContact O-N 3.35Å; E763-L765 PolarHBondContact O-N 3.39Å; E763-G766 PolarHBondContact O-N 2.93Å; E763-K767 HydrophobicContact CG-CD 3.87Å; E763-K767 HydrophobicContact CG-CG 4.28Å; E763-K767 WeakPolarHBondContact O-CB 3.43Å; E763-K767 PolarHBondContact O-N 3.24Å; E763-K767 WeakPolarHBondContact OE1-CE 3.4Å; E763-K767 IonicContact OE1-NZ 3.84Å; E763-K767 PolarHBondContact OE1-NZ 3.41Å
764A95.3Very high90.8Very high3 Ų353.7 Ų53.73%0.02527%0.268CS..Hα-helixtrans-58.2-46.6176.400000112.1Q690 A694 L760 I761 G766 F768Q690-A764 HydrophobicContact CB-CB 4.23Å; A694-A764 HydrophobicContact CB-CB 3.65Å; L760-A764 WeakPolarHBondContact O-CB 3.39Å; L760-A764 PolarHBondContact O-N 2.85Å; I761-A764 WeakPolarHBondContact O-CB 3.45Å; I761-A764 PolarHBondContact O-N 2.97Å; A764-G766 VanDerWaalsContact C-N 3.32Å; A764-G766 PolarHBondContact O-N 3.28Å; A764-F768 PolarHBondContact O-N 3.43Å; A764-F768 VanDerWaalsContact O-N 3.14Å
765L90.3Very high91.8Very high24 Ų2449.8 Ų49.813%0.12625%0.25CC..Hα-helixtrans-67.3-32.5178-65.6176.2000112.5Q491 A495 I761 E763 R769Q491-L765 HydrophobicContact CG-CD1 4.1Å; A495-L765 HydrophobicContact CB-CD1 4.01Å; I761-L765 HydrophobicContact CG2-CD1 3.94Å; I761-L765 HydrophobicContact CG2-CG 4.31Å; I761-L765 VanDerWaalsContact O-CG 3.27Å; I761-L765 WeakPolarHBondContact O-CG 3.44Å; I761-L765 PolarHBondContact O-N 3.38Å; E763-L765 PolarHBondContact O-N 3.39Å; L765-R769 VanDerWaalsContact O-CB 3.29Å; L765-R769 WeakPolarHBondContact O-CB 3.49Å
766G91Very high92.1Very high46 Ų4647.8 Ų47.847%0.47424%0.24SC..Hα-helixtrans-75.9-52.6178.600000113.2S762 E763 A764S762-G766 PolarHBondContact O-N 2.97Å; E763-G766 PolarHBondContact O-N 2.93Å; A764-G766 VanDerWaalsContact C-N 3.32Å; A764-G766 PolarHBondContact O-N 3.28Å
767K92.9Very high92.1Very high104 Ų10448.5 Ų48.545%0.45224%0.242SC..Hα-helixtrans-68.5-41.6-176.3-78-176171.1175.30112.6D697 E763D697-K767 IonicContact OD2-NZ 2.93Å; D697-K767 PolarHBondContact OD2-NZ 3.12Å; E763-K767 HydrophobicContact CG-CD 3.87Å; E763-K767 HydrophobicContact CG-CG 4.28Å; E763-K767 WeakPolarHBondContact O-CB 3.43Å; E763-K767 PolarHBondContact O-N 3.24Å; E763-K767 WeakPolarHBondContact OE1-CE 3.4Å; E763-K767 IonicContact OE1-NZ 3.84Å; E763-K767 PolarHBondContact OE1-NZ 3.41Å
768F94.3Very high91.9Very high10 Ų1054 Ų544%0.04426%0.263CS..THydrogen-bonded Turntrans-10832.6-174.1-52.3-69.3000112.7R638 L639 Q690 L693 A694 D697 A764 D770 L771R638-F768 HydrophobicContact CB-CD1 4.2Å; R638-F768 HydrophobicContact CB-CE1 4.02Å; R638-F768 HydrophobicContact CG-CD1 4.41Å; L639-F768 HydrophobicContact CD2-CE1 4.33Å; L639-F768 HydrophobicContact CD2-CZ 4.19Å; Q690-F768 HydrophobicContact CB-CB 4.4Å; Q690-F768 HydrophobicContact CG-CB 4.01Å; Q690-F768 PolarHBondContact NE2-O 3.48Å; L693-F768 HydrophobicContact CB-CD1 4.22Å; L693-F768 HydrophobicContact CB-CD2 3.88Å; L693-F768 HydrophobicContact CB-CE1 3.93Å; L693-F768 HydrophobicContact CB-CE2 3.57Å; L693-F768 HydrophobicContact CB-CG 4.2Å; L693-F768 HydrophobicContact CB-CZ 3.6Å; L693-F768 HydrophobicContact CD1-CD1 3.81Å; L693-F768 HydrophobicContact CD1-CE1 4.13Å; L693-F768 HydrophobicContact CD1-CG 4.03Å; A694-F768 HydrophobicContact CB-CE2 4.05Å; D697-F768 HydrophobicContact CB-CZ 4.44Å; A764-F768 PolarHBondContact O-N 3.43Å; A764-F768 VanDerWaalsContact O-N 3.14Å; F768-D770 PolarHBondContact O-N 2.9Å; F768-L771 WeakPolarHBondContact O-CB 3.49Å; F768-L771 PolarHBondContact O-N 2.89Å
769R88Confident91.8Very high209 Ų20953 Ų5379%0.78926%0.256SS*.THydrogen-bonded Turntrans-65.1-24.7-176.872.7-177.4-170.7172.13114.4L765 L771L765-R769 VanDerWaalsContact O-CB 3.29Å; L765-R769 WeakPolarHBondContact O-CB 3.49Å; R769-L771 PolarHBondContact O-N 2.99Å
770D88.8Confident91.7Very high86 Ų8649.1 Ų49.146%0.4623%0.234SC..THydrogen-bonded Turntrans-75.5-12.7-178.167.4-52.4000112.8R638 F768 S772R638-D770 IonicContact CZ-OD2 3.63Å; R638-D770 IonicContact NE-OD1 2.65Å; R638-D770 IonicContact NE-OD2 3.43Å; R638-D770 PolarHBondContact NE-OD2 3.41Å; R638-D770 IonicContact NH2-OD2 3.53Å; R638-D770 PolarHBondContact NH2-OD2 3.03Å; F768-D770 PolarHBondContact O-N 2.9Å; D770-S772 PolarHBondContact O-N 3.32Å; D770-S772 VanDerWaalsContact O-N 3.12Å
771L92.3Very high91.3Very high4 Ų449.7 Ų49.72%0.02124%0.239CC..  trans-67108.7174.8-174.361.3000110.1L634 K686 F689 Q690 F768 R769 I776L634-L771 HydrophobicContact CD1-CD1 4.22Å; L634-L771 HydrophobicContact CD1-CD2 4.21Å; L634-L771 HydrophobicContact CD2-CD1 3.68Å; K686-L771 VanDerWaalsContact CD-O 3.26Å; K686-L771 WeakPolarHBondContact CD-O 3.26Å; K686-L771 HydrophobicContact CG-CD2 4.39Å; K686-L771 HydrophobicContact CG-CG 4.48Å; F689-L771 HydrophobicContact CB-CD2 3.91Å; Q690-L771 HydrophobicContact CG-CD2 4.06Å; F768-L771 WeakPolarHBondContact O-CB 3.49Å; F768-L771 PolarHBondContact O-N 2.89Å; R769-L771 PolarHBondContact O-N 2.99Å; L771-I776 HydrophobicContact CD1-CD1 4.39Å; L771-I776 HydrophobicContact CD1-CG1 3.94Å; L771-I776 HydrophobicContact CD2-CD1 4.13Å; L771-I776 HydrophobicContact CD2-CG1 4.47Å; L771-I776 HydrophobicContact CG-CD1 4.09Å; L771-I776 HydrophobicContact CG-CG1 4.2Å
772S91.3Very high90.9Very high22 Ų2250.2 Ų50.215%0.15424%0.241CC..  trans-95.8155.9178.459.20000112.3E334 D770 R774 H775 I776E334-S772 VanDerWaalsContact CD-CB 3.48Å; E334-S772 WeakPolarHBondContact OE1-CB 3.34Å; E334-S772 WeakPolarHBondContact OE2-CB 3.1Å; D770-S772 PolarHBondContact O-N 3.32Å; D770-S772 VanDerWaalsContact O-N 3.12Å; S772-R774 PolarHBondContact O-N 2.86Å; S772-H775 PolarHBondContact O-N 3.46Å; S772-H775 VanDerWaalsContact O-N 3.14Å; S772-H775 WeakPolarHBondContact OG-CB 3.42Å; S772-H775 PolarHBondContact OG-N 3.39Å; S772-H775 VanDerWaalsContact OG-N 3.14Å; S772-I776 PolarHBondContact O-N 2.81Å
773V91.3Very high90.8Very high19 Ų1947.5 Ų47.512%0.11522%0.222CC..Hα-helixtrans-59.7-37.1171.71770000110.2A289 L290 E334 H775 I776 E777A289-V773 HydrophobicContact CB-CG1 3.71Å; L290-V773 HydrophobicContact CD1-CG2 4.3Å; E334-V773 PolarHBondContact OE1-N 3.22Å; V773-H775 VanDerWaalsContact C-N 3.31Å; V773-H775 PolarHBondContact O-N 2.86Å; V773-I776 PolarHBondContact O-N 3.35Å; V773-E777 HydrophobicContact CG1-CG 4.41Å; V773-E777 PolarHBondContact O-N 3.21Å
774R89.4Confident90.6Very high134 Ų13445.1 Ų45.151%0.50621%0.21SC..Hα-helixtrans-62.8-36.5177.8-165.9174.5-172.4177.40.9112.5Y286 S772 R778Y286-R774 HydrophobicContact CD2-CB 3.9Å; Y286-R774 HydrophobicContact CD2-CG 4.18Å; Y286-R774 HydrophobicContact CE2-CB 3.77Å; Y286-R774 HydrophobicContact CE2-CG 4.35Å; S772-R774 PolarHBondContact O-N 2.86Å; R774-R778 WeakPolarHBondContact O-CB 3.38Å; R774-R778 WeakPolarHBondContact O-CD 3.36Å; R774-R778 WeakPolarHBondContact O-CG 3.36Å; R774-R778 PolarHBondContact O-N 3.34Å
775H91.2Very high90.3Very high38 Ų3845 Ų4518%0.17621%0.209CC..Hα-helixtrans-67.6-46.8175.8-168.255.1000111.1E637 S772 V773 E777 R778 L779E637-H775 IonicContact OE1-CE1 2.7Å; E637-H775 IonicContact OE1-NE2 2.9Å; E637-H775 PolarHBondContact OE1-NE2 2.59Å; E637-H775 IonicContact OE2-CD2 2.87Å; E637-H775 IonicContact OE2-CE1 2.71Å; E637-H775 IonicContact OE2-NE2 3.64Å; E637-H775 PolarHBondContact OE2-NE2 2.78Å; S772-H775 PolarHBondContact O-N 3.46Å; S772-H775 VanDerWaalsContact O-N 3.14Å; S772-H775 WeakPolarHBondContact OG-CB 3.42Å; S772-H775 PolarHBondContact OG-N 3.39Å; S772-H775 VanDerWaalsContact OG-N 3.14Å; V773-H775 VanDerWaalsContact C-N 3.31Å; V773-H775 PolarHBondContact O-N 2.86Å; H775-E777 PolarHBondContact O-N 3.3Å; H775-R778 WeakPolarHBondContact O-CB 3.36Å; H775-R778 PolarHBondContact O-N 2.9Å; H775-L779 PolarHBondContact O-N 3.38Å
776I93.3Very high90.2Very high3 Ų346 Ų462%0.01521%0.211CC..Hα-helixtrans-58-48.8177.5-64.3170.4000110.9K686 F689 L771 S772 V773 R778 L779 R780K686-I776 HydrophobicContact CB-CD1 3.95Å; K686-I776 HydrophobicContact CG-CD1 4.02Å; F689-I776 HydrophobicContact CD2-CD1 3.96Å; F689-I776 HydrophobicContact CE2-CD1 4.39Å; F689-I776 HydrophobicContact CE2-CG2 3.99Å; L771-I776 HydrophobicContact CD1-CD1 4.39Å; L771-I776 HydrophobicContact CD1-CG1 3.94Å; L771-I776 HydrophobicContact CD2-CD1 4.13Å; L771-I776 HydrophobicContact CD2-CG1 4.47Å; L771-I776 HydrophobicContact CG-CD1 4.09Å; L771-I776 HydrophobicContact CG-CG1 4.2Å; S772-I776 PolarHBondContact O-N 2.81Å; V773-I776 PolarHBondContact O-N 3.35Å; I776-R778 VanDerWaalsContact C-N 3.31Å; I776-R778 PolarHBondContact O-N 3.47Å; I776-L779 PolarHBondContact O-N 3.48Å; I776-L779 VanDerWaalsContact O-N 3.14Å; I776-R780 HydrophobicContact CG2-CG 4.3Å; I776-R780 WeakPolarHBondContact O-CG 3.47Å; I776-R780 PolarHBondContact O-N 3.29Å
777E90.6Very high90.2Very high38 Ų3844.3 Ų44.318%0.17819%0.192CC..Hα-helixtrans-61.9-37.4178.7-69.9-50133.400113.1A289 V773 H775 L779 R780 C781A289-E777 HydrophobicContact CB-CG 3.98Å; V773-E777 HydrophobicContact CG1-CG 4.41Å; V773-E777 PolarHBondContact O-N 3.21Å; H775-E777 PolarHBondContact O-N 3.3Å; E777-L779 VanDerWaalsContact C-N 3.33Å; E777-L779 PolarHBondContact O-N 2.87Å; E777-R780 PolarHBondContact O-N 2.93Å; E777-R780 IonicContact OE1-CZ 2.76Å; E777-R780 IonicContact OE1-NH1 3.59Å; E777-R780 PolarHBondContact OE1-NH1 3.39Å; E777-C781 PolarHBondContact O-N 2.74Å
778R87.3Confident89.9Confident116 Ų11639.5 Ų39.544%0.43817%0.171SC..Hα-helixtrans-63.6-38.8175.4-77.6168.7173.1180-2.6112.1R245 R774 H775 I776 L782R245-R778 PolarHBondContact NH1-O 3.21Å; R774-R778 WeakPolarHBondContact O-CB 3.38Å; R774-R778 WeakPolarHBondContact O-CD 3.36Å; R774-R778 WeakPolarHBondContact O-CG 3.36Å; R774-R778 PolarHBondContact O-N 3.34Å; H775-R778 WeakPolarHBondContact O-CB 3.36Å; H775-R778 PolarHBondContact O-N 2.9Å; I776-R778 VanDerWaalsContact C-N 3.31Å; I776-R778 PolarHBondContact O-N 3.47Å; R778-L782 PolarHBondContact O-N 3.07Å
779L90.8Very high89.6Confident10 Ų1039.2 Ų39.25%0.05217%0.17CC..Hα-helixtrans-72.6-41.2175.3-66.7179.1000110.9V630 E633 L634 H775 I776 E777 C781 L782 H783V630-L779 HydrophobicContact CB-CB 4.36Å; V630-L779 HydrophobicContact CG1-CB 3.86Å; V630-L779 HydrophobicContact CG1-CD1 3.93Å; V630-L779 HydrophobicContact CG2-CB 3.84Å; E633-L779 HydrophobicContact CG-CD2 4.05Å; L634-L779 HydrophobicContact CD2-CD1 3.87Å; L634-L779 HydrophobicContact CG-CD1 4.13Å; H775-L779 PolarHBondContact O-N 3.38Å; I776-L779 PolarHBondContact O-N 3.48Å; I776-L779 VanDerWaalsContact O-N 3.14Å; E777-L779 VanDerWaalsContact C-N 3.33Å; E777-L779 PolarHBondContact O-N 2.87Å; L779-C781 PolarHBondContact O-N 3.22Å; L779-L782 HydrophobicContact CD2-CD2 4.36Å; L779-L782 WeakPolarHBondContact O-CA 3.4Å; L779-L782 WeakPolarHBondContact O-CB 3.35Å; L779-L782 PolarHBondContact O-N 2.71Å; L779-H783 PolarHBondContact O-CD2 3.23Å; L779-H783 PolarHBondContact O-N 3.24Å
780R91Very high89.7Confident20 Ų2031.8 Ų31.88%0.07515%0.153CC..Hα-helixtrans-54.9-49.8174.7-76.5174.5169.3170.1-8.7112.2V626 D627 V630 I776 E777 L782 H783 R784V626-R780 HydrophobicContact CG1-CB 4.01Å; V626-R780 HydrophobicContact CG1-CG 4.02Å; D627-R780 WeakPolarHBondContact OD1-CG 3.31Å; D627-R780 IonicContact OD1-CZ 3.35Å; D627-R780 IonicContact OD1-NE 3.07Å; D627-R780 PolarHBondContact OD1-NE 3.35Å; D627-R780 IonicContact OD1-NH2 3.76Å; D627-R780 IonicContact OD2-CZ 3.46Å; D627-R780 IonicContact OD2-NE 2.65Å; D627-R780 PolarHBondContact OD2-NE 3.25Å; D627-R780 IonicContact OD2-NH2 2.71Å; D627-R780 PolarHBondContact OD2-NH2 3.08Å; V630-R780 HydrophobicContact CG2-CG 4.01Å; I776-R780 HydrophobicContact CG2-CG 4.3Å; I776-R780 WeakPolarHBondContact O-CG 3.47Å; I776-R780 PolarHBondContact O-N 3.29Å; E777-R780 PolarHBondContact O-N 2.93Å; E777-R780 IonicContact OE1-CZ 2.76Å; E777-R780 IonicContact OE1-NH1 3.59Å; E777-R780 PolarHBondContact OE1-NH1 3.39Å; R780-L782 VanDerWaalsContact C-N 3.28Å; R780-L782 PolarHBondContact O-N 2.91Å; R780-H783 PolarHBondContact O-N 3.3Å; R780-R784 VanDerWaalsContact O-CB 3.23Å; R780-R784 WeakPolarHBondContact O-CB 3.48Å; R780-R784 PolarHBondContact O-N 2.94Å
781C86.5Confident89.5Confident17 Ų1729.4 Ų29.412%0.11514%0.139CC..Hα-helixtrans-58.6-39.7175.6-178.70000112.2E777 L779E777-C781 PolarHBondContact O-N 2.74Å; L779-C781 PolarHBondContact O-N 3.22Å
782L86.8Confident89.2Confident18 Ų1829.5 Ų29.59%0.09414%0.139CC..Hα-helixtrans-66.6-48.2178.1179.464.7000112.8L208 F241 R245 R778 L779 R780L208-L782 HydrophobicContact CB-CD1 4.43Å; L208-L782 WeakPolarHBondContact O-CD1 3.41Å; F241-L782 HydrophobicContact CZ-CD1 4.07Å; R245-L782 HydrophobicContact CG-CD1 4.45Å; R778-L782 PolarHBondContact O-N 3.07Å; L779-L782 HydrophobicContact CD2-CD2 4.36Å; L779-L782 WeakPolarHBondContact O-CA 3.4Å; L779-L782 WeakPolarHBondContact O-CB 3.35Å; L779-L782 PolarHBondContact O-N 2.71Å; R780-L782 VanDerWaalsContact C-N 3.28Å; R780-L782 PolarHBondContact O-N 2.91Å
783H90.9Very high89.1Confident2 Ų231 Ų311%0.00915%0.146CC..Hα-helixtrans-82.3-24.3-172.6-73.7-87.2000112.7S629 E633 L779 R780 V785 R786 V787S629-H783 WeakPolarHBondContact CB-ND1 3.31Å; S629-H783 PolarHBondContact O-CE1 2.88Å; E633-H783 IonicContact OE2-CE1 3.69Å; L779-H783 PolarHBondContact O-CD2 3.23Å; L779-H783 PolarHBondContact O-N 3.24Å; R780-H783 PolarHBondContact O-N 3.3Å; H783-V785 VanDerWaalsContact C-N 3.26Å; H783-V785 PolarHBondContact O-N 3.48Å; H783-R786 PolarHBondContact CE1-NH1 3.35Å; H783-R786 VanDerWaalsContact CE1-NH1 3.26Å; H783-R786 WeakPolarHBondContact O-CB 3.09Å; H783-R786 PolarHBondContact O-N 2.86Å; H783-V787 PolarHBondContact O-N 3.47Å
784R90.2Very high88.9Confident24 Ų2433.5 Ų33.59%0.09116%0.161CC..Hα-helixtrans-57.6-37.9174-169.1170.8-51100-3.1113.2D249 V626 R780 R786 V787 L788D249-R784 WeakPolarHBondContact OD1-CB 3.2Å; D249-R784 WeakPolarHBondContact OD1-CD 3.23Å; D249-R784 IonicContact OD1-CZ 2.62Å; D249-R784 IonicContact OD1-NE 3.08Å; D249-R784 IonicContact OD1-NH1 3.91Å; D249-R784 PolarHBondContact OD1-NH1 3.46Å; D249-R784 IonicContact OD2-NH1 2.65Å; V626-R784 HydrophobicContact CG1-CB 4.46Å; V626-R784 HydrophobicContact CG2-CB 3.85Å; V626-R784 HydrophobicContact CG2-CG 4.02Å; R780-R784 VanDerWaalsContact O-CB 3.23Å; R780-R784 WeakPolarHBondContact O-CB 3.48Å; R780-R784 PolarHBondContact O-N 2.94Å; R784-R786 VanDerWaalsContact C-N 3.29Å; R784-R786 PolarHBondContact O-N 3.13Å; R784-V787 PolarHBondContact O-N 3.46Å; R784-L788 HydrophobicContact CG-CD1 3.94Å; R784-L788 HydrophobicContact CG-CG 4.15Å; R784-L788 WeakPolarHBondContact O-CB 3.06Å; R784-L788 VanDerWaalsContact O-CG 3.32Å; R784-L788 WeakPolarHBondContact O-CG 3.47Å; R784-L788 PolarHBondContact O-N 2.89Å
785V88.8Confident88.7Confident2 Ų229 Ų291%0.01215%0.146CC..Hα-helixtrans-54.3-47.31721720000111A248 L252 H783 Q789A248-V785 HydrophobicContact CB-CG2 3.99Å; L252-V785 HydrophobicContact CD1-CB 3.97Å; L252-V785 HydrophobicContact CD1-CG1 3.65Å; L252-V785 HydrophobicContact CD1-CG2 3.96Å; H783-V785 VanDerWaalsContact C-N 3.26Å; H783-V785 PolarHBondContact O-N 3.48Å; V785-Q789 WeakPolarHBondContact O-CB 3.2Å; V785-Q789 WeakPolarHBondContact O-CG 3.3Å; V785-Q789 PolarHBondContact O-N 2.96Å
786R88.3Confident88.6Confident44 Ų4428 Ų2817%0.16614%0.142CC..Hα-helixtrans-68.5-45.8-178.2-56.8-177.2-158.2169.66.1111.4R207 H783 R784 Q789 A790R207-R786 HydrophobicContact CG-CG 4.35Å; H783-R786 PolarHBondContact CE1-NH1 3.35Å; H783-R786 VanDerWaalsContact CE1-NH1 3.26Å; H783-R786 WeakPolarHBondContact O-CB 3.09Å; H783-R786 PolarHBondContact O-N 2.86Å; R784-R786 VanDerWaalsContact C-N 3.29Å; R784-R786 PolarHBondContact O-N 3.13Å; R786-Q789 PolarHBondContact O-N 3.42Å; R786-A790 PolarHBondContact O-N 3.43Å
787V89.4Confident88.5Confident10 Ų1033.2 Ų33.26%0.06117%0.166CC..Hα-helixtrans-61.7-47.3-179.8173.50000111I622 Q625 V626 H783 R784 Q789 A790 H791I622-V787 HydrophobicContact CD1-CG1 4.42Å; I622-V787 HydrophobicContact CG2-CG1 4.18Å; Q625-V787 HydrophobicContact CB-CG1 3.91Å; Q625-V787 HydrophobicContact CB-CG2 4.41Å; V626-V787 HydrophobicContact CG2-CB 4.02Å; V626-V787 HydrophobicContact CG2-CG1 4.28Å; V626-V787 HydrophobicContact CG2-CG2 3.91Å; H783-V787 PolarHBondContact O-N 3.47Å; R784-V787 PolarHBondContact O-N 3.46Å; V787-Q789 VanDerWaalsContact C-N 3.29Å; V787-Q789 PolarHBondContact O-N 3.06Å; V787-A790 PolarHBondContact O-N 2.92Å; V787-H791 PolarHBondContact O-CD2 2.75Å; V787-H791 PolarHBondContact O-N 2.96Å
788L87.4Confident88.4Confident4 Ų433.3 Ų33.32%0.02117%0.168CC..Hα-helixtrans-62.2-37.2178.2-70.8177000112.3L252 R253 L256 D257 L261 I622 R784 E792L252-L788 HydrophobicContact CB-CD1 3.81Å; R253-L788 HydrophobicContact CG-CD1 4.17Å; L256-L788 HydrophobicContact CD1-CB 4.25Å; D257-L788 HydrophobicContact CB-CD2 4.26Å; L261-L788 HydrophobicContact CD1-CD1 4.21Å; L261-L788 HydrophobicContact CD1-CD2 3.87Å; I622-L788 HydrophobicContact CD1-CD2 4.46Å; I622-L788 HydrophobicContact CG2-CD2 4.26Å; R784-L788 HydrophobicContact CG-CD1 3.94Å; R784-L788 HydrophobicContact CG-CG 4.15Å; R784-L788 WeakPolarHBondContact O-CB 3.06Å; R784-L788 VanDerWaalsContact O-CG 3.32Å; R784-L788 WeakPolarHBondContact O-CG 3.47Å; R784-L788 PolarHBondContact O-N 2.89Å; L788-E792 WeakPolarHBondContact O-CB 3.29Å; L788-E792 PolarHBondContact O-N 3.29Å
789Q89.2Confident88.5Confident4 Ų428.2 Ų28.22%0.01915%0.149CC..Hα-helixtrans-70.1-37.1176.4-68.5-79.610.500112.4A203 V205 V785 R786 V787 E792 D793A203-Q789 PolarHBondContact O-NE2 3.42Å; V205-Q789 PolarHBondContact O-NE2 3.44Å; V785-Q789 WeakPolarHBondContact O-CB 3.2Å; V785-Q789 WeakPolarHBondContact O-CG 3.3Å; V785-Q789 PolarHBondContact O-N 2.96Å; R786-Q789 PolarHBondContact O-N 3.42Å; V787-Q789 VanDerWaalsContact C-N 3.29Å; V787-Q789 PolarHBondContact O-N 3.06Å; Q789-E792 WeakPolarHBondContact O-CB 3.37Å; Q789-E792 PolarHBondContact O-N 3.22Å; Q789-D793 VanDerWaalsContact O-CG 3.27Å; Q789-D793 PolarHBondContact O-N 2.9Å
790A88.6Confident88.6Confident52 Ų5229.1 Ų29.143%0.4315%0.154SC..Hα-helixtrans-65-38.8174.900000112.3R786 V787 E792 D793 T794R786-A790 PolarHBondContact O-N 3.43Å; V787-A790 PolarHBondContact O-N 2.92Å; A790-E792 VanDerWaalsContact C-N 3.35Å; A790-D793 PolarHBondContact O-N 2.83Å; A790-T794 PolarHBondContact O-N 3.11Å; A790-T794 PolarHBondContact O-OG1 2.95Å
791H85.1Confident88.6Confident37 Ų3735.8 Ų35.817%0.17118%0.179CC..Hα-helixtrans-61.1-45170.2-88.9-87.4000111.6I622 Q625 V787 D793 T794 I795I622-H791 VanDerWaalsContact CD1-CD2 3.46Å; I622-H791 WeakPolarHBondContact CD1-CD2 3.34Å; I622-H791 VanDerWaalsContact CD1-NE2 3.32Å; I622-H791 WeakPolarHBondContact CD1-NE2 3.36Å; Q625-H791 PolarHBondContact OE1-NE2 3.43Å; V787-H791 PolarHBondContact O-CD2 2.75Å; V787-H791 PolarHBondContact O-N 2.96Å; H791-D793 VanDerWaalsContact C-N 3.33Å; H791-D793 PolarHBondContact O-N 3.38Å; H791-T794 WeakPolarHBondContact O-CB 3.34Å; H791-T794 PolarHBondContact O-N 3.47Å; H791-I795 VanDerWaalsContact O-CG1 3.29Å; H791-I795 WeakPolarHBondContact O-CG1 3.39Å; H791-I795 PolarHBondContact O-N 3.14Å
792E85.3Confident88.7Confident5 Ų540.4 Ų40.42%0.02320%0.202CC..Hα-helixtrans-61.5-40.6177.1175.656.6-159.700112.2L256 L788 Q789 A790 I795 K796 K822 Y859L256-E792 HydrophobicContact CD1-CB 4.29Å; L256-E792 HydrophobicContact CD2-CG 4.4Å; L788-E792 WeakPolarHBondContact O-CB 3.29Å; L788-E792 PolarHBondContact O-N 3.29Å; Q789-E792 WeakPolarHBondContact O-CB 3.37Å; Q789-E792 PolarHBondContact O-N 3.22Å; A790-E792 VanDerWaalsContact C-N 3.35Å; E792-I795 PolarHBondContact O-N 3.32Å; E792-K796 WeakPolarHBondContact O-CB 3.44Å; E792-K796 PolarHBondContact O-N 3.04Å; E792-K822 WeakPolarHBondContact OE1-CD 3.49Å; E792-K822 WeakPolarHBondContact OE1-CE 3.22Å; E792-K822 IonicContact OE1-NZ 3.6Å; E792-K822 PolarHBondContact OE1-NZ 3.23Å; E792-Y859 VanDerWaalsContact CD-OH 3.24Å; E792-Y859 WeakPolarHBondContact OE1-CE2 3.32Å; E792-Y859 PolarHBondContact OE1-OH 3.41Å; E792-Y859 PolarHBondContact OE2-OH 3.36Å
793D89.1Confident88.9Confident55 Ų5539.6 Ų39.629%0.29420%0.198SC..Hα-helixtrans-64.6-41.4175.6-67.9-27.2000110.9R225 Q789 A790 H791 I795 K796 E797R225-D793 IonicContact CZ-OD1 3.89Å; R225-D793 VanDerWaalsContact CZ-OD1 3.25Å; R225-D793 IonicContact NE-OD1 3.99Å; R225-D793 PolarHBondContact NE-OD1 3.43Å; R225-D793 IonicContact NH2-OD1 3.96Å; R225-D793 PolarHBondContact NH2-OD1 2.87Å; R225-D793 IonicContact NH2-OD2 3.62Å; Q789-D793 VanDerWaalsContact O-CG 3.27Å; Q789-D793 PolarHBondContact O-N 2.9Å; A790-D793 PolarHBondContact O-N 2.83Å; H791-D793 VanDerWaalsContact C-N 3.33Å; H791-D793 PolarHBondContact O-N 3.38Å; D793-I795 PolarHBondContact O-N 3.04Å; D793-K796 PolarHBondContact O-N 3.43Å; D793-E797 WeakPolarHBondContact O-CG 3.39Å; D793-E797 PolarHBondContact O-N 3.14Å
794T88.5Confident89Confident70 Ų7041.9 Ų41.943%0.42921%0.214SC..Hα-helixtrans-62.9-41.7175.7-55.50000111.8A790 H791 E797 N798A790-T794 PolarHBondContact O-N 3.11Å; A790-T794 PolarHBondContact O-OG1 2.95Å; H791-T794 WeakPolarHBondContact O-CB 3.34Å; H791-T794 PolarHBondContact O-N 3.47Å; T794-E797 PolarHBondContact O-N 3.46Å; T794-N798 WeakPolarHBondContact O-CB 3.46Å; T794-N798 VanDerWaalsContact O-CG 3.23Å; T794-N798 PolarHBondContact O-N 2.95Å; T794-N798 PolarHBondContact O-ND2 3.34Å
795I84.5Confident89.1Confident39 Ų3945.6 Ų45.620%0.224%0.241CC..Hα-helixtrans-64-44.8176.6-70.1165.1000110.5H791 E792 D793 N798 T799H791-I795 VanDerWaalsContact O-CG1 3.29Å; H791-I795 WeakPolarHBondContact O-CG1 3.39Å; H791-I795 PolarHBondContact O-N 3.14Å; E792-I795 PolarHBondContact O-N 3.32Å; D793-I795 PolarHBondContact O-N 3.04Å; I795-N798 PolarHBondContact O-N 3.41Å; I795-T799 WeakPolarHBondContact O-CB 3.33Å; I795-T799 PolarHBondContact O-N 3.33Å; I795-T799 PolarHBondContact O-OG1 3.13Å
796K89.4Confident89.1Confident18 Ų1849.5 Ų49.58%0.07826%0.262CS..Hα-helixtrans-58.5-52.4175.4177.2174.3-178.3177.50110.7E792 D793 N798 T799 L800 S815 Y818 D819E792-K796 WeakPolarHBondContact O-CB 3.44Å; E792-K796 PolarHBondContact O-N 3.04Å; D793-K796 PolarHBondContact O-N 3.43Å; K796-N798 PolarHBondContact O-N 2.82Å; K796-T799 PolarHBondContact O-N 3.13Å; K796-T799 VanDerWaalsContact O-N 3.13Å; K796-L800 HydrophobicContact CG-CD1 3.87Å; K796-L800 HydrophobicContact CG-CG 4.26Å; K796-L800 VanDerWaalsContact O-CG 3.3Å; K796-L800 WeakPolarHBondContact O-CG 3.37Å; K796-L800 PolarHBondContact O-N 2.69Å; K796-S815 VanDerWaalsContact CE-O 3.29Å; K796-S815 WeakPolarHBondContact CE-O 3.49Å; K796-S815 WeakPolarHBondContact CE-OG 3.2Å; K796-S815 PolarHBondContact NZ-O 2.65Å; K796-S815 PolarHBondContact NZ-OG 2.96Å; K796-Y818 HydrophobicContact CB-CD1 4.12Å; K796-Y818 HydrophobicContact CB-CE1 3.69Å; K796-Y818 HydrophobicContact CD-CD1 3.68Å; K796-Y818 HydrophobicContact CD-CE1 4.05Å; K796-Y818 HydrophobicContact CD-CG 4.48Å; K796-Y818 HydrophobicContact CG-CD1 3.56Å; K796-Y818 HydrophobicContact CG-CE1 3.68Å; K796-Y818 HydrophobicContact CG-CG 4.11Å; K796-D819 IonicContact NZ-OD1 2.99Å; K796-D819 PolarHBondContact NZ-OD1 2.95Å; K796-D819 IonicContact NZ-OD2 3.95Å; K796-D819 PolarHBondContact NZ-OD2 3.14Å
797E91.2Very high89.4Confident112 Ų11248.1 Ų48.152%0.52326%0.258SS..Hα-helixtrans-60.9-41.7-179.6-74.5-179.2-17700113.1D793 T794 T799 L800 R801D793-E797 WeakPolarHBondContact O-CG 3.39Å; D793-E797 PolarHBondContact O-N 3.14Å; T794-E797 PolarHBondContact O-N 3.46Å; E797-T799 VanDerWaalsContact C-N 3.33Å; E797-L800 PolarHBondContact O-N 3.05Å; E797-R801 WeakPolarHBondContact O-CB 3.47Å; E797-R801 WeakPolarHBondContact O-CG 3.48Å; E797-R801 PolarHBondContact O-N 3.03Å; E797-R801 PolarHBondContact O-NE 2.95Å
798N88.8Confident89.6Confident41 Ų4151.6 Ų51.622%0.21928%0.283CS..Hα-helixtrans-61.5-43174.5-75-26.9000111.2T794 I795 K796 R801 L802T794-N798 WeakPolarHBondContact O-CB 3.46Å; T794-N798 VanDerWaalsContact O-CG 3.23Å; T794-N798 PolarHBondContact O-N 2.95Å; T794-N798 PolarHBondContact O-ND2 3.34Å; I795-N798 PolarHBondContact O-N 3.41Å; K796-N798 PolarHBondContact O-N 2.82Å; N798-R801 PolarHBondContact O-N 3.23Å; N798-R801 VanDerWaalsContact OD1-CZ 3.3Å; N798-R801 PolarHBondContact OD1-NH2 2.89Å; N798-L802 VanDerWaalsContact O-CG 3.31Å; N798-L802 WeakPolarHBondContact O-CG 3.39Å; N798-L802 PolarHBondContact O-N 3Å; N798-L802 VanDerWaalsContact O-N 3.14Å
799T88.4Confident89.9Confident8 Ų851.7 Ų51.75%0.04928%0.284CS..Hα-helixtrans-66-45.4178.8-53.90000111.5I795 K796 E797 R801 L802 V803 Y818 F905I795-T799 WeakPolarHBondContact O-CB 3.33Å; I795-T799 PolarHBondContact O-N 3.33Å; I795-T799 PolarHBondContact O-OG1 3.13Å; K796-T799 PolarHBondContact O-N 3.13Å; K796-T799 VanDerWaalsContact O-N 3.13Å; E797-T799 VanDerWaalsContact C-N 3.33Å; T799-R801 VanDerWaalsContact C-N 3.32Å; T799-R801 PolarHBondContact O-N 3.3Å; T799-L802 PolarHBondContact O-N 3.42Å; T799-L802 VanDerWaalsContact O-N 3.14Å; T799-V803 HydrophobicContact CG2-CG2 4.41Å; T799-V803 WeakPolarHBondContact O-CG2 3.28Å; T799-V803 PolarHBondContact O-N 2.96Å; T799-Y818 HydrophobicContact CG2-CD2 4.31Å; T799-Y818 HydrophobicContact CG2-CE2 3.87Å; T799-F905 HydrophobicContact CG2-CD1 3.84Å
800L92.4Very high90.1Very high29 Ų2954 Ų5415%0.15230%0.301CS..Hα-helixtrans-61.7-40.6177.5-67.1175.9000111.4K796 E797 L802 V803 S804 L814 F905K796-L800 HydrophobicContact CG-CD1 3.87Å; K796-L800 HydrophobicContact CG-CG 4.26Å; K796-L800 VanDerWaalsContact O-CG 3.3Å; K796-L800 WeakPolarHBondContact O-CG 3.37Å; K796-L800 PolarHBondContact O-N 2.69Å; E797-L800 PolarHBondContact O-N 3.05Å; L800-L802 VanDerWaalsContact C-N 3.27Å; L800-L802 PolarHBondContact O-N 3.05Å; L800-V803 PolarHBondContact O-N 3Å; L800-S804 WeakPolarHBondContact O-CB 3.45Å; L800-S804 PolarHBondContact O-N 3.31Å; L800-L814 HydrophobicContact CD2-CB 4.37Å; L800-L814 HydrophobicContact CD2-CD2 4.02Å; L800-L814 HydrophobicContact CD2-CG 3.73Å; L800-F905 HydrophobicContact CD2-CE1 4.12Å; L800-F905 HydrophobicContact CD2-CZ 4.44Å
801R91.1Very high90.3Very high161 Ų16156.1 Ų56.161%0.60831%0.31SS*.Hα-helixtrans-62.2-33174.9-81-173.8-83.6152.4-9.3113.2E797 N798 T799 P805E797-R801 WeakPolarHBondContact O-CB 3.47Å; E797-R801 WeakPolarHBondContact O-CG 3.48Å; E797-R801 PolarHBondContact O-N 3.03Å; E797-R801 PolarHBondContact O-NE 2.95Å; N798-R801 PolarHBondContact O-N 3.23Å; N798-R801 VanDerWaalsContact OD1-CZ 3.3Å; N798-R801 PolarHBondContact OD1-NH2 2.89Å; T799-R801 VanDerWaalsContact C-N 3.32Å; T799-R801 PolarHBondContact O-N 3.3Å; R801-P805 WeakPolarHBondContact O-CD 3.43Å
802L89.3Confident90.7Very high113 Ų11362 Ų6259%0.59234%0.337SS*.Hα-helixtrans-77.7-31.5177.8-70.9168.6000113.2N798 T799 L800N798-L802 VanDerWaalsContact O-CG 3.31Å; N798-L802 WeakPolarHBondContact O-CG 3.39Å; N798-L802 PolarHBondContact O-N 3Å; N798-L802 VanDerWaalsContact O-N 3.14Å; T799-L802 PolarHBondContact O-N 3.42Å; T799-L802 VanDerWaalsContact O-N 3.14Å; L800-L802 VanDerWaalsContact C-N 3.27Å; L800-L802 PolarHBondContact O-N 3.05Å
803V91.4Very high91.2Very high2 Ų262.6 Ų62.61%0.01234%0.341CS..Hα-helixtrans-93.2-33.3-175.91770000112.6T799 L800 P805 D806 V807 L814 F905 K906 A909T799-V803 HydrophobicContact CG2-CG2 4.41Å; T799-V803 WeakPolarHBondContact O-CG2 3.28Å; T799-V803 PolarHBondContact O-N 2.96Å; L800-V803 PolarHBondContact O-N 3Å; V803-P805 VanDerWaalsContact C-N 3.32Å; V803-P805 VanDerWaalsContact O-N 3.17Å; V803-D806 PolarHBondContact O-N 3.26Å; V803-V807 HydrophobicContact CG1-CG1 4.24Å; V803-V807 HydrophobicContact CG1-CG2 4.26Å; V803-L814 HydrophobicContact CG1-CD1 4.38Å; V803-L814 HydrophobicContact CG1-CD2 4.41Å; V803-F905 HydrophobicContact CG1-CE1 4.47Å; V803-F905 HydrophobicContact CG2-CD1 4.16Å; V803-F905 HydrophobicContact CG2-CE1 4.5Å; V803-K906 HydrophobicContact CG2-CB 3.95Å; V803-K906 HydrophobicContact CG2-CG 4.24Å; V803-A909 HydrophobicContact CG1-CB 3.8Å
804S92.8Very high91.5Very high50 Ų5060 Ų6035%0.3533%0.327SS..G310 helixtrans-54.3-32.7-175.7-175.60000115.8L800 D806L800-S804 WeakPolarHBondContact O-CB 3.45Å; L800-S804 PolarHBondContact O-N 3.31Å; S804-D806 VanDerWaalsContact C-N 3.26Å; S804-D806 PolarHBondContact O-N 2.87Å
805P92.9Very high91.8Very high102 Ų10258.4 Ų58.466%0.66232%0.318SS*.G310 helixtrans-70-21176-2134.3000114.3R801 V803R801-P805 WeakPolarHBondContact O-CD 3.43Å; V803-P805 VanDerWaalsContact C-N 3.32Å; V803-P805 VanDerWaalsContact O-N 3.17Å
806D88.8Confident92.3Very high84 Ų8458.5 Ų58.545%0.44932%0.319SS..G310 helixtrans-100.11-171.9-65.1-17.1000112.9V803 S804 K906V803-D806 PolarHBondContact O-N 3.26Å; S804-D806 VanDerWaalsContact C-N 3.26Å; S804-D806 PolarHBondContact O-N 2.87Å; D806-K906 WeakPolarHBondContact OD2-CE 3.02Å; D806-K906 IonicContact OD2-NZ 2.71Å; D806-K906 PolarHBondContact OD2-NZ 3.44Å
807V93.2Very high92.5Very high14 Ų1457.6 Ų57.69%0.08532%0.315CS..  trans-138.2148-177.7-60.90000111.8V803 I809 L814 A909 D913V803-V807 HydrophobicContact CG1-CG1 4.24Å; V803-V807 HydrophobicContact CG1-CG2 4.26Å; V807-I809 HydrophobicContact CG2-CB 4.42Å; V807-L814 HydrophobicContact CG2-CD1 4.16Å; V807-L814 HydrophobicContact CG2-CD2 4.06Å; V807-A909 HydrophobicContact CG1-CB 4.3Å; V807-D913 WeakPolarHBondContact CA-OD2 3.34Å; V807-D913 HydrophobicContact CB-CB 4.07Å; V807-D913 HydrophobicContact CG1-CB 4.07Å
808S93.6Very high92.7Very high83 Ų8352.4 Ų52.458%0.5829%0.291SS*.  trans-86.6-6.9176.7-62.40000113.9S810 D913S808-S810 PolarHBondContact O-N 3.33Å; S808-D913 WeakPolarHBondContact CA-OD1 3.48Å; S808-D913 WeakPolarHBondContact CB-OD1 3.46Å; S808-D913 PolarHBondContact N-OD1 3.24Å; S808-D913 PolarHBondContact N-OD2 2.64Å
809I93.8Very high92.8Very high7 Ų751.7 Ų51.74%0.03629%0.287CS..SBendtrans-59.4133176.2-52.6-177.8000111.5V807 N813 L814 L817 L912 D913 L1100V807-I809 HydrophobicContact CG2-CB 4.42Å; I809-N813 HydrophobicContact CG2-CB 3.7Å; I809-L814 HydrophobicContact CG2-CB 4.23Å; I809-L817 HydrophobicContact CD1-CD1 3.8Å; I809-L817 HydrophobicContact CG2-CD1 4.37Å; I809-L912 HydrophobicContact CD1-CB 4.18Å; I809-D913 HydrophobicContact CD1-CB 4.16Å; I809-D913 HydrophobicContact CG1-CB 4.03Å; I809-D913 VanDerWaalsContact CG1-OD1 3.27Å; I809-D913 WeakPolarHBondContact CG1-OD1 3.22Å; I809-D913 PolarHBondContact N-OD1 2.9Å; I809-L1100 HydrophobicContact CD1-CD2 4.31Å; I809-L1100 HydrophobicContact CG1-CD2 4.44Å; I809-L1100 HydrophobicContact CG2-CD2 3.94Å
810S94.3Very high93Very high53 Ų5351.5 Ų51.537%0.37129%0.286SS..  trans-56.3145.2175.868.70000112.4S808 E812 N813 L814S808-S810 PolarHBondContact O-N 3.33Å; S810-E812 VanDerWaalsContact C-N 3.26Å; S810-E812 PolarHBondContact O-N 2.99Å; S810-E812 VanDerWaalsContact O-N 3.13Å; S810-N813 PolarHBondContact O-N 3.1Å; S810-N813 VanDerWaalsContact O-N 3.12Å; S810-N813 WeakPolarHBondContact OG-CB 3.28Å; S810-N813 PolarHBondContact OG-N 3.45Å; S810-N813 PolarHBondContact OG-ND2 2.96Å; S810-L814 PolarHBondContact O-N 3.21Å
811P93.3Very high93Very high96 Ų9650.1 Ų50.162%0.62328%0.279SS*.Hα-helixtrans-55.3-35.3-178.6-27.634.5000114.9S815P811-S815 VanDerWaalsContact O-CB 3.3Å; P811-S815 WeakPolarHBondContact O-CB 3.42Å; P811-S815 PolarHBondContact O-N 3.14Å
812E93.4Very high92.9Very high159 Ų15943 Ų4374%0.74325%0.252SS*.Hα-helixtrans-65.3-50.7177.7-64.3-178.4-172.800111.4S810 L814 S815 D816S810-E812 VanDerWaalsContact C-N 3.26Å; S810-E812 PolarHBondContact O-N 2.99Å; S810-E812 VanDerWaalsContact O-N 3.13Å; E812-L814 VanDerWaalsContact C-N 3.35Å; E812-L814 PolarHBondContact O-N 3.1Å; E812-S815 WeakPolarHBondContact O-CB 3.45Å; E812-S815 PolarHBondContact O-N 3.41Å; E812-D816 PolarHBondContact O-N 3.37Å
813N94.9Very high92.9Very high19 Ų1938.7 Ų38.710%0.10223%0.23CC..Hα-helixtrans-63.8-38.8176.1-75.3-24.7000112I809 S810 S815 D816 L817 L1100 T1101 I1104I809-N813 HydrophobicContact CG2-CB 3.7Å; S810-N813 PolarHBondContact O-N 3.1Å; S810-N813 VanDerWaalsContact O-N 3.12Å; S810-N813 WeakPolarHBondContact OG-CB 3.28Å; S810-N813 PolarHBondContact OG-N 3.45Å; S810-N813 PolarHBondContact OG-ND2 2.96Å; N813-S815 PolarHBondContact O-N 3.22Å; N813-D816 PolarHBondContact O-N 2.96Å; N813-L817 WeakPolarHBondContact O-CB 3.4Å; N813-L817 VanDerWaalsContact O-CG 3.27Å; N813-L817 WeakPolarHBondContact O-CG 3.46Å; N813-L817 PolarHBondContact O-N 3.12Å; N813-L1100 HydrophobicContact CB-CD2 4.41Å; N813-T1101 PolarHBondContact ND2-OG1 2.95Å; N813-T1101 PolarHBondContact OD1-OG1 2.94Å; N813-I1104 HydrophobicContact CB-CD1 3.89Å
814L95.4Very high92.7Very high1 Ų138.6 Ų38.61%0.00523%0.23CC..Hα-helixtrans-64.1-41.9177.2-169.766000111.6L800 V803 V807 I809 S810 E812 D816 L817 Y818 F905 A909L800-L814 HydrophobicContact CD2-CB 4.37Å; L800-L814 HydrophobicContact CD2-CD2 4.02Å; L800-L814 HydrophobicContact CD2-CG 3.73Å; V803-L814 HydrophobicContact CG1-CD1 4.38Å; V803-L814 HydrophobicContact CG1-CD2 4.41Å; V807-L814 HydrophobicContact CG2-CD1 4.16Å; V807-L814 HydrophobicContact CG2-CD2 4.06Å; I809-L814 HydrophobicContact CG2-CB 4.23Å; S810-L814 PolarHBondContact O-N 3.21Å; E812-L814 VanDerWaalsContact C-N 3.35Å; E812-L814 PolarHBondContact O-N 3.1Å; L814-D816 VanDerWaalsContact C-N 3.33Å; L814-D816 PolarHBondContact O-N 3.41Å; L814-L817 PolarHBondContact O-N 2.76Å; L814-Y818 PolarHBondContact O-N 2.93Å; L814-F905 HydrophobicContact CD1-CE1 4.09Å; L814-F905 HydrophobicContact CD1-CZ 3.83Å; L814-F905 HydrophobicContact CG-CE1 4.39Å; L814-F905 HydrophobicContact CG-CZ 4.27Å; L814-A909 HydrophobicContact CD1-CB 3.85Å
815S94.7Very high92.3Very high35 Ų3537.9 Ų37.925%0.24522%0.221CC..Hα-helixtrans-61.8-40.5174.3-179.40000112.3K796 P811 E812 N813 Y818 D819K796-S815 VanDerWaalsContact CE-O 3.29Å; K796-S815 WeakPolarHBondContact CE-O 3.49Å; K796-S815 WeakPolarHBondContact CE-OG 3.2Å; K796-S815 PolarHBondContact NZ-O 2.65Å; K796-S815 PolarHBondContact NZ-OG 2.96Å; P811-S815 VanDerWaalsContact O-CB 3.3Å; P811-S815 WeakPolarHBondContact O-CB 3.42Å; P811-S815 PolarHBondContact O-N 3.14Å; E812-S815 WeakPolarHBondContact O-CB 3.45Å; E812-S815 PolarHBondContact O-N 3.41Å; N813-S815 PolarHBondContact O-N 3.22Å; S815-Y818 WeakPolarHBondContact O-CB 3.43Å; S815-Y818 PolarHBondContact O-N 3.18Å; S815-D819 PolarHBondContact O-N 3.25Å
816D94.3Very high92Very high41 Ų4133.3 Ų33.322%0.21919%0.191CC..Hα-helixtrans-73.6-32.9177.8-88-32.4000113.2K226 E812 N813 L814 D819 L820 I1104 K1108K226-D816 IonicContact NZ-OD1 3.52Å; K226-D816 PolarHBondContact NZ-OD1 3.27Å; E812-D816 PolarHBondContact O-N 3.37Å; N813-D816 PolarHBondContact O-N 2.96Å; L814-D816 VanDerWaalsContact C-N 3.33Å; L814-D816 PolarHBondContact O-N 3.41Å; D816-D819 PolarHBondContact O-N 3.45Å; D816-L820 PolarHBondContact O-N 3.33Å; D816-L820 VanDerWaalsContact O-N 3.1Å; D816-I1104 HydrophobicContact CB-CG2 3.84Å; D816-K1108 VanDerWaalsContact CB-NZ 3.29Å; D816-K1108 IonicContact OD1-NZ 2.87Å; D816-K1108 PolarHBondContact OD1-NZ 2.98Å; D816-K1108 IonicContact OD2-NZ 3.68Å; D816-K1108 PolarHBondContact OD2-NZ 3.16Å
817L95.3Very high91.7Very high0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-65.4-40171.1-76.8173000111.4I809 N813 L814 D819 L820 F821 L873 F905 F908 L912 L1100 I1104I809-L817 HydrophobicContact CD1-CD1 3.8Å; I809-L817 HydrophobicContact CG2-CD1 4.37Å; N813-L817 WeakPolarHBondContact O-CB 3.4Å; N813-L817 VanDerWaalsContact O-CG 3.27Å; N813-L817 WeakPolarHBondContact O-CG 3.46Å; N813-L817 PolarHBondContact O-N 3.12Å; L814-L817 PolarHBondContact O-N 2.76Å; L817-D819 VanDerWaalsContact C-N 3.29Å; L817-D819 PolarHBondContact O-N 2.79Å; L817-L820 HydrophobicContact CD2-CD1 4.48Å; L817-L820 WeakPolarHBondContact O-CB 3.09Å; L817-L820 PolarHBondContact O-N 3.4Å; L817-F821 VanDerWaalsContact O-CB 3.29Å; L817-F821 WeakPolarHBondContact O-CB 3.21Å; L817-F821 PolarHBondContact O-N 3.41Å; L817-L873 HydrophobicContact CD2-CD1 3.98Å; L817-L873 HydrophobicContact CD2-CD2 4.37Å; L817-F905 HydrophobicContact CB-CE2 4.28Å; L817-F905 HydrophobicContact CB-CZ 4.49Å; L817-F908 HydrophobicContact CD2-CE1 4.42Å; L817-L912 HydrophobicContact CD1-CD1 3.83Å; L817-L912 HydrophobicContact CD2-CD1 3.56Å; L817-L912 HydrophobicContact CG-CD1 4.32Å; L817-L1100 HydrophobicContact CD1-CD2 4.4Å; L817-I1104 HydrophobicContact CD1-CD1 4.38Å; L817-I1104 HydrophobicContact CD2-CD1 3.82Å; L817-I1104 HydrophobicContact CD2-CG1 3.75Å; L817-I1104 HydrophobicContact CG-CD1 3.7Å; L817-I1104 HydrophobicContact CG-CG1 4.2Å
818Y93.9Very high91Very high2 Ų228.9 Ų28.91%0.00817%0.167CC..Hα-helixtrans-59-43173.7-175.9-86.5000111.4K796 T799 L814 S815 L820 F821 K822 Y859 F905K796-Y818 HydrophobicContact CB-CD1 4.12Å; K796-Y818 HydrophobicContact CB-CE1 3.69Å; K796-Y818 HydrophobicContact CD-CD1 3.68Å; K796-Y818 HydrophobicContact CD-CE1 4.05Å; K796-Y818 HydrophobicContact CD-CG 4.48Å; K796-Y818 HydrophobicContact CG-CD1 3.56Å; K796-Y818 HydrophobicContact CG-CE1 3.68Å; K796-Y818 HydrophobicContact CG-CG 4.11Å; T799-Y818 HydrophobicContact CG2-CD2 4.31Å; T799-Y818 HydrophobicContact CG2-CE2 3.87Å; L814-Y818 PolarHBondContact O-N 2.93Å; S815-Y818 WeakPolarHBondContact O-CB 3.43Å; S815-Y818 PolarHBondContact O-N 3.18Å; Y818-L820 PolarHBondContact O-N 2.93Å; Y818-F821 PolarHBondContact O-N 2.89Å; Y818-K822 HydrophobicContact CE1-CD 4.43Å; Y818-K822 WeakPolarHBondContact O-CB 3.41Å; Y818-K822 PolarHBondContact O-N 3.1Å; Y818-Y859 HydrophobicContact CE1-CD2 4.38Å; Y818-Y859 HydrophobicContact CE1-CE2 4.33Å; Y818-Y859 AromaticContact CZ-CD2 3.87Å; Y818-Y859 WeakPolarHBondContact OH-CD2 3.47Å; Y818-Y859 WeakPolarHBondContact OH-CE2 3.35Å; Y818-F905 AromaticContact CD2-CD1 3.74Å; Y818-F905 HydrophobicContact CD2-CD1 3.74Å; Y818-F905 HydrophobicContact CD2-CD2 4.03Å; Y818-F905 AromaticContact CD2-CE1 3.86Å; Y818-F905 HydrophobicContact CD2-CE1 3.86Å; Y818-F905 HydrophobicContact CD2-CE2 4.16Å; Y818-F905 AromaticContact CD2-CG 3.82Å; Y818-F905 HydrophobicContact CD2-CG 3.82Å; Y818-F905 HydrophobicContact CD2-CZ 4.06Å; Y818-F905 HydrophobicContact CE2-CD1 4.41Å; Y818-F905 HydrophobicContact CE2-CG 4.42Å; Y818-F905 HydrophobicContact CG-CE2 4.47Å; Y818-F905 HydrophobicContact CG-CZ 4.39Å
819D92Very high90.3Very high27 Ų2726.4 Ų26.414%0.14415%0.147CC..Hα-helixtrans-64.6-39.8177.7-71.5-20.5000112.1K796 S815 D816 L817 T823K796-D819 IonicContact NZ-OD1 2.99Å; K796-D819 PolarHBondContact NZ-OD1 2.95Å; K796-D819 IonicContact NZ-OD2 3.95Å; K796-D819 PolarHBondContact NZ-OD2 3.14Å; S815-D819 PolarHBondContact O-N 3.25Å; D816-D819 PolarHBondContact O-N 3.45Å; L817-D819 VanDerWaalsContact C-N 3.29Å; L817-D819 PolarHBondContact O-N 2.79Å; D819-T823 VanDerWaalsContact O-CB 3.29Å; D819-T823 WeakPolarHBondContact O-CB 3.23Å; D819-T823 PolarHBondContact O-N 3.47Å; D819-T823 PolarHBondContact O-OG1 3.36Å
820L92.2Very high89.7Confident3 Ų326.4 Ų26.42%0.01615%0.146CC..Hα-helixtrans-62.8-47.1173.8-81.9173.6000111.9D816 L817 Y818 T823 E824 L873 I1104 A1107 K1108 Q1111D816-L820 PolarHBondContact O-N 3.33Å; D816-L820 VanDerWaalsContact O-N 3.1Å; L817-L820 HydrophobicContact CD2-CD1 4.48Å; L817-L820 WeakPolarHBondContact O-CB 3.09Å; L817-L820 PolarHBondContact O-N 3.4Å; Y818-L820 PolarHBondContact O-N 2.93Å; L820-T823 PolarHBondContact O-N 3.36Å; L820-E824 PolarHBondContact O-N 3.33Å; L820-L873 HydrophobicContact CD1-CD2 4.34Å; L820-I1104 HydrophobicContact CD1-CB 4.36Å; L820-I1104 HydrophobicContact CD1-CG1 4.34Å; L820-I1104 HydrophobicContact CD1-CG2 3.94Å; L820-A1107 HydrophobicContact CD1-CB 3.89Å; L820-A1107 HydrophobicContact CD2-CB 4.21Å; L820-K1108 HydrophobicContact CD1-CG 4.35Å; L820-K1108 HydrophobicContact CD2-CB 4.31Å; L820-K1108 HydrophobicContact CD2-CG 3.54Å; L820-K1108 HydrophobicContact CG-CG 3.94Å; L820-Q1111 PolarHBondContact O-NE2 3.43Å
821F92.1Very high88.9Confident0 Ų024.3 Ų24.30%013%0.13CC..Hα-helixtrans-59.4-48.9178.9-176.9-83.5000111.2L817 Y818 T823 E824 H825 Y859 L861 L869 F905 F908L817-F821 VanDerWaalsContact O-CB 3.29Å; L817-F821 WeakPolarHBondContact O-CB 3.21Å; L817-F821 PolarHBondContact O-N 3.41Å; Y818-F821 PolarHBondContact O-N 2.89Å; F821-T823 PolarHBondContact O-N 3.48Å; F821-E824 PolarHBondContact O-N 2.84Å; F821-H825 PolarHBondContact O-N 3.08Å; F821-H825 VanDerWaalsContact O-N 3.15Å; F821-Y859 VanDerWaalsContact CE1-O 3.25Å; F821-Y859 WeakPolarHBondContact CE1-O 3.41Å; F821-L861 HydrophobicContact CD1-CG 4.45Å; F821-L861 HydrophobicContact CD2-CD1 3.42Å; F821-L861 VanDerWaalsContact CD2-CD1 3.42Å; F821-L861 HydrophobicContact CD2-CG 3.92Å; F821-L861 HydrophobicContact CE1-CD2 4.4Å; F821-L861 HydrophobicContact CE1-CG 4.04Å; F821-L861 HydrophobicContact CE2-CB 4.36Å; F821-L861 HydrophobicContact CE2-CD1 3.37Å; F821-L861 HydrophobicContact CE2-CG 3.48Å; F821-L861 VanDerWaalsContact CE2-CG 3.48Å; F821-L861 HydrophobicContact CG-CD1 4.1Å; F821-L861 HydrophobicContact CG-CG 4.39Å; F821-L861 HydrophobicContact CZ-CB 4.39Å; F821-L861 HydrophobicContact CZ-CD1 4Å; F821-L861 HydrophobicContact CZ-CD2 4.39Å; F821-L861 HydrophobicContact CZ-CG 3.55Å; F821-L869 HydrophobicContact CD2-CD1 4.4Å; F821-F905 HydrophobicContact CB-CD2 3.93Å; F821-F905 HydrophobicContact CB-CE2 4.3Å; F821-F905 HydrophobicContact CD1-CB 4.26Å; F821-F905 HydrophobicContact CD1-CD2 4.13Å; F821-F905 HydrophobicContact CD2-CD2 4.05Å; F821-F905 HydrophobicContact CE1-CB 4.06Å; F821-F905 AromaticContact CG-CD2 3.79Å; F821-F905 HydrophobicContact CG-CD2 3.79Å; F821-F905 HydrophobicContact CZ-CB 4.18Å; F821-F908 HydrophobicContact CD2-CB 3.93Å; F821-F908 AromaticContact CD2-CD1 3.65Å; F821-F908 HydrophobicContact CD2-CD1 3.65Å; F821-F908 HydrophobicContact CD2-CD2 4.13Å; F821-F908 HydrophobicContact CD2-CE1 4.15Å; F821-F908 AromaticContact CD2-CG 3.63Å; F821-F908 HydrophobicContact CD2-CG 3.63Å; F821-F908 HydrophobicContact CE2-CB 3.68Å; F821-F908 HydrophobicContact CE2-CD1 4.31Å; F821-F908 HydrophobicContact CE2-CD2 4.34Å; F821-F908 AromaticContact CE2-CG 3.87Å; F821-F908 HydrophobicContact CE2-CG 3.87Å
822K89.8Confident87.7Confident12 Ų1220.7 Ų20.75%0.05211%0.111CC..Hα-helixtrans-61.1-42.4174.6177.917567.1-179.50112.4E792 Y818 E824 H825 F826 Y859E792-K822 WeakPolarHBondContact OE1-CD 3.49Å; E792-K822 WeakPolarHBondContact OE1-CE 3.22Å; E792-K822 IonicContact OE1-NZ 3.6Å; E792-K822 PolarHBondContact OE1-NZ 3.23Å; Y818-K822 HydrophobicContact CE1-CD 4.43Å; Y818-K822 WeakPolarHBondContact O-CB 3.41Å; Y818-K822 PolarHBondContact O-N 3.1Å; K822-E824 VanDerWaalsContact C-N 3.3Å; K822-E824 PolarHBondContact O-N 3.2Å; K822-H825 VanDerWaalsContact O-CB 3.32Å; K822-H825 WeakPolarHBondContact O-CB 3.34Å; K822-H825 PolarHBondContact O-N 3Å; K822-H825 VanDerWaalsContact O-N 3.16Å; K822-F826 HydrophobicContact CD-CE2 3.82Å; K822-F826 HydrophobicContact CD-CZ 3.83Å; K822-F826 HydrophobicContact CG-CD2 4.15Å; K822-F826 HydrophobicContact CG-CE1 4.25Å; K822-F826 HydrophobicContact CG-CE2 3.64Å; K822-F826 HydrophobicContact CG-CZ 3.68Å; K822-F826 PolarHBondContact O-N 3.29Å; K822-Y859 HydrophobicContact CB-CD2 4.1Å; K822-Y859 HydrophobicContact CB-CE2 4.24Å; K822-Y859 HydrophobicContact CD-CD2 4.16Å; K822-Y859 HydrophobicContact CD-CE2 3.44Å; K822-Y859 VanDerWaalsContact CD-CE2 3.44Å; K822-Y859 HydrophobicContact CG-CD2 4Å; K822-Y859 HydrophobicContact CG-CE1 4.29Å; K822-Y859 HydrophobicContact CG-CE2 3.7Å; K822-Y859 HydrophobicContact CG-CG 4.44Å
823T88.7Confident86.1Confident22 Ų2216.3 Ų16.314%0.1359%0.093CC..Hα-helixtrans-62.2-39.9179.4-59.40000111D819 L820 F821 H825 F826 I827 Q1111 Y1112D819-T823 VanDerWaalsContact O-CB 3.29Å; D819-T823 WeakPolarHBondContact O-CB 3.23Å; D819-T823 PolarHBondContact O-N 3.47Å; D819-T823 PolarHBondContact O-OG1 3.36Å; L820-T823 PolarHBondContact O-N 3.36Å; F821-T823 PolarHBondContact O-N 3.48Å; T823-H825 VanDerWaalsContact C-N 3.3Å; T823-H825 PolarHBondContact O-N 2.8Å; T823-F826 PolarHBondContact O-N 2.85Å; T823-I827 HydrophobicContact CG2-CD1 4.03Å; T823-I827 HydrophobicContact CG2-CG1 4.37Å; T823-I827 VanDerWaalsContact O-CG1 3.31Å; T823-I827 WeakPolarHBondContact O-CG1 3.29Å; T823-I827 PolarHBondContact O-N 3.07Å; T823-Q1111 VanDerWaalsContact CG2-OE1 3.28Å; T823-Y1112 HydrophobicContact CG2-CE2 3.68Å
824E87.1Confident84Confident0 Ų020.6 Ų20.60%012%0.124CC..Hα-helixtrans-64.5-37.5175.9-162.265.5-157.600111.9L820 F821 K822 L861 Q865 S868 L869 Q1111 R1115L820-E824 PolarHBondContact O-N 3.33Å; F821-E824 PolarHBondContact O-N 2.84Å; K822-E824 VanDerWaalsContact C-N 3.3Å; K822-E824 PolarHBondContact O-N 3.2Å; E824-L861 HydrophobicContact CB-CD2 4.19Å; E824-Q865 HydrophobicContact CG-CB 3.8Å; E824-Q865 HydrophobicContact CG-CG 4.11Å; E824-Q865 PolarHBondContact O-NE2 3.25Å; E824-Q865 VanDerWaalsContact O-NE2 3.08Å; E824-S868 WeakPolarHBondContact OE1-CB 3.23Å; E824-S868 PolarHBondContact OE1-OG 3.05Å; E824-L869 HydrophobicContact CB-CD1 3.98Å; E824-L869 HydrophobicContact CB-CD2 4.24Å; E824-L869 HydrophobicContact CB-CG 4.07Å; E824-L869 HydrophobicContact CG-CD1 4.28Å; E824-L869 HydrophobicContact CG-CD2 4.46Å; E824-L869 HydrophobicContact CG-CG 4Å; E824-Q1111 WeakPolarHBondContact OE2-CG 3.42Å; E824-Q1111 PolarHBondContact OE2-NE2 3.29Å; E824-R1115 WeakPolarHBondContact OE1-CD 3.28Å; E824-R1115 IonicContact OE1-CZ 3.98Å; E824-R1115 IonicContact OE1-NE 3.91Å
825H85Confident81.9Confident35 Ų3525.1 Ų25.116%0.16216%0.156CC..Hα-helixtrans-57.9-49.5172.6-173.479.7000111F821 K822 T823 T828 Y859 R860 L861 Q865F821-H825 PolarHBondContact O-N 3.08Å; F821-H825 VanDerWaalsContact O-N 3.15Å; K822-H825 VanDerWaalsContact O-CB 3.32Å; K822-H825 WeakPolarHBondContact O-CB 3.34Å; K822-H825 PolarHBondContact O-N 3Å; K822-H825 VanDerWaalsContact O-N 3.16Å; T823-H825 VanDerWaalsContact C-N 3.3Å; T823-H825 PolarHBondContact O-N 2.8Å; H825-T828 PolarHBondContact O-N 3.04Å; H825-Y859 HydrophobicContact CB-CD1 4.47Å; H825-Y859 AromaticContact CD2-CD1 3.67Å; H825-R860 PolarHBondContact ND1-O 3.21Å; H825-L861 HydrophobicContact CB-CD2 3.96Å; H825-Q865 VanDerWaalsContact CA-NE2 3.33Å; H825-Q865 PolarHBondContact O-NE2 3.2Å
826F85.6Confident79.7Confident7 Ų725.7 Ų25.73%0.03116%0.159CC..Hα-helixtrans-68.3-35.9-178.8-68.2-15.2000114.7A203 L255 L256 K822 T823 T828 L829 Y830 Y859A203-F826 HydrophobicContact CB-CD2 3.96Å; A203-F826 HydrophobicContact CB-CE2 3.96Å; L255-F826 HydrophobicContact CB-CD1 4.33Å; L255-F826 HydrophobicContact CB-CE1 4.02Å; L255-F826 HydrophobicContact CB-CZ 4.26Å; L255-F826 HydrophobicContact CD1-CD2 4.39Å; L255-F826 HydrophobicContact CD1-CG 4.42Å; L255-F826 HydrophobicContact CD2-CD1 4.22Å; L256-F826 HydrophobicContact CD2-CE1 4.41Å; L256-F826 HydrophobicContact CD2-CE2 4.2Å; L256-F826 HydrophobicContact CD2-CZ 3.52Å; K822-F826 HydrophobicContact CD-CE2 3.82Å; K822-F826 HydrophobicContact CD-CZ 3.83Å; K822-F826 HydrophobicContact CG-CD2 4.15Å; K822-F826 HydrophobicContact CG-CE1 4.25Å; K822-F826 HydrophobicContact CG-CE2 3.64Å; K822-F826 HydrophobicContact CG-CZ 3.68Å; K822-F826 PolarHBondContact O-N 3.29Å; T823-F826 PolarHBondContact O-N 2.85Å; F826-T828 PolarHBondContact O-N 3.45Å; F826-L829 HydrophobicContact CD1-CD1 4.19Å; F826-L829 CarbonylContact O-C 3.37Å; F826-L829 WeakPolarHBondContact O-CA 3.29Å; F826-L829 WeakPolarHBondContact O-CB 3.45Å; F826-L829 PolarHBondContact O-N 3.47Å; F826-Y830 HydrophobicContact CB-CE1 4Å; F826-Y830 HydrophobicContact CB-CE2 4.08Å; F826-Y830 VanDerWaalsContact O-CD1 3.28Å; F826-Y830 WeakPolarHBondContact O-CD1 3.28Å; F826-Y830 VanDerWaalsContact O-CG 3.23Å; F826-Y830 PolarHBondContact O-N 3.03Å; F826-Y859 HydrophobicContact CE1-CD1 4.47Å; F826-Y859 AromaticContact CE1-CE1 3.66Å; F826-Y859 HydrophobicContact CE1-CE1 3.66Å; F826-Y859 AromaticContact CZ-CE1 3.97Å; F826-Y859 HydrophobicContact CZ-CE1 3.97Å; F826-Y859 AromaticContact CZ-CZ 3.98Å
827I83.3Confident77.4Confident0 Ų024.5 Ų24.50%016%0.156CC..Hα-helixtrans-59-36179.6-67.6164.1000111.2T823 Y830 W831 Q1111 Y1112 R1115T823-I827 HydrophobicContact CG2-CD1 4.03Å; T823-I827 HydrophobicContact CG2-CG1 4.37Å; T823-I827 VanDerWaalsContact O-CG1 3.31Å; T823-I827 WeakPolarHBondContact O-CG1 3.29Å; T823-I827 PolarHBondContact O-N 3.07Å; I827-Y830 PolarHBondContact O-N 3.04Å; I827-W831 HydrophobicContact CG2-CD2 4.38Å; I827-W831 HydrophobicContact CG2-CE3 3.43Å; I827-W831 VanDerWaalsContact CG2-CE3 3.43Å; I827-W831 HydrophobicContact CG2-CZ3 3.7Å; I827-W831 PolarHBondContact O-N 2.78Å; I827-Q1111 HydrophobicContact CD1-CG 3.9Å; I827-Y1112 HydrophobicContact CD1-CD1 4.1Å; I827-Y1112 HydrophobicContact CD1-CD2 4.33Å; I827-Y1112 HydrophobicContact CD1-CE1 4.09Å; I827-Y1112 HydrophobicContact CD1-CE2 4.29Å; I827-Y1112 HydrophobicContact CD1-CG 4.24Å; I827-Y1112 HydrophobicContact CG1-CD1 4.19Å; I827-Y1112 HydrophobicContact CG1-CE1 3.79Å; I827-R1115 HydrophobicContact CB-CG 4.27Å; I827-R1115 HydrophobicContact CG2-CB 4.04Å; I827-R1115 HydrophobicContact CG2-CG 3.33Å
828T78Confident74.9Confident5 Ų527 Ų273%0.03118%0.176CC..Hα-helixtrans-67.1-37.3172.7-61.40000112.1H825 F826 Y830 G832 Q865 R1115H825-T828 PolarHBondContact O-N 3.04Å; F826-T828 PolarHBondContact O-N 3.45Å; T828-Y830 VanDerWaalsContact C-N 3.27Å; T828-Y830 PolarHBondContact O-N 2.83Å; T828-G832 WeakPolarHBondContact O-CA 3.44Å; T828-G832 PolarHBondContact O-N 2.76Å; T828-Q865 WeakPolarHBondContact OG1-CG 3.47Å; T828-Q865 PolarHBondContact OG1-NE2 3.34Å; T828-R1115 PolarHBondContact OG1-NH2 3.2Å
829L78.3Confident72.6Confident30 Ų3029.5 Ų29.516%0.15720%0.197CC..Hα-helixtrans-69-25.6173.8-61.6178.7000112.7L255 F826 A837L255-L829 HydrophobicContact CD2-CB 3.8Å; L255-L829 HydrophobicContact CD2-CD1 3.76Å; L255-L829 HydrophobicContact CD2-CG 4.46Å; F826-L829 HydrophobicContact CD1-CD1 4.19Å; F826-L829 CarbonylContact O-C 3.37Å; F826-L829 WeakPolarHBondContact O-CA 3.29Å; F826-L829 WeakPolarHBondContact O-CB 3.45Å; F826-L829 PolarHBondContact O-N 3.47Å; L829-A837 HydrophobicContact CD2-CB 4.23Å
830Y81.5Confident70.4Confident8 Ų829.6 Ų29.63%0.03120%0.201CC..Hα-helixtrans-74.2-49.1175.2-58.4-18.7000111.9N183 H184 A203 L255 F826 I827 T828N183-Y830 HydrophobicContact CB-CD1 3.88Å; N183-Y830 HydrophobicContact CB-CD2 4.39Å; N183-Y830 HydrophobicContact CB-CE1 4.16Å; N183-Y830 HydrophobicContact CB-CG 4.02Å; H184-Y830 AromaticContact CE1-CD2 3.82Å; A203-Y830 WeakPolarHBondContact CB-OH 3.44Å; L255-Y830 HydrophobicContact CD1-CE1 3.46Å; L255-Y830 VanDerWaalsContact CD1-CE1 3.46Å; L255-Y830 WeakPolarHBondContact CD1-OH 3.4Å; L255-Y830 HydrophobicContact CD2-CD1 4.23Å; L255-Y830 HydrophobicContact CD2-CE1 3.7Å; L255-Y830 HydrophobicContact CG-CE1 4.16Å; F826-Y830 HydrophobicContact CB-CE1 4Å; F826-Y830 HydrophobicContact CB-CE2 4.08Å; F826-Y830 VanDerWaalsContact O-CD1 3.28Å; F826-Y830 WeakPolarHBondContact O-CD1 3.28Å; F826-Y830 VanDerWaalsContact O-CG 3.23Å; F826-Y830 PolarHBondContact O-N 3.03Å; I827-Y830 PolarHBondContact O-N 3.04Å; T828-Y830 VanDerWaalsContact C-N 3.27Å; T828-Y830 PolarHBondContact O-N 2.83Å
831W78.7Confident68.4Low8 Ų833.5 Ų33.53%0.0322%0.22CC..Hα-helixtrans-129.8-2.8-162.9-55.2-33.4000115.5L153 P154 S156 E157 H184 I827 Y1112 L1119L153-W831 HydrophobicContact CD2-CH2 4.09Å; L153-W831 HydrophobicContact CD2-CZ2 4.09Å; P154-W831 HydrophobicContact CB-CD2 4.33Å; P154-W831 HydrophobicContact CB-CG 4.45Å; P154-W831 VanDerWaalsContact CD-CH2 3.42Å; P154-W831 VanDerWaalsContact CD-CZ2 3.45Å; P154-W831 HydrophobicContact CG-CD2 3.63Å; P154-W831 HydrophobicContact CG-CE3 3.52Å; P154-W831 HydrophobicContact CG-CG 4.22Å; P154-W831 HydrophobicContact CG-CH2 3.98Å; P154-W831 HydrophobicContact CG-CZ2 4.15Å; P154-W831 HydrophobicContact CG-CZ3 3.7Å; S156-W831 WeakPolarHBondContact OG-CB 3.31Å; E157-W831 PolarHBondContact OE2-NE1 3.49Å; H184-W831 AromaticContact CE1-CZ2 3.71Å; I827-W831 HydrophobicContact CG2-CD2 4.38Å; I827-W831 HydrophobicContact CG2-CE3 3.43Å; I827-W831 VanDerWaalsContact CG2-CE3 3.43Å; I827-W831 HydrophobicContact CG2-CZ3 3.7Å; I827-W831 PolarHBondContact O-N 2.78Å; W831-Y1112 AromaticContact CH2-CD1 3.59Å; W831-Y1112 HydrophobicContact CH2-CD1 3.59Å; W831-Y1112 AromaticContact CH2-CE1 3.99Å; W831-Y1112 HydrophobicContact CH2-CE1 3.99Å; W831-Y1112 AromaticContact CZ3-CD1 3.97Å; W831-Y1112 HydrophobicContact CZ3-CD1 3.97Å; W831-Y1112 HydrophobicContact CZ3-CE1 4.45Å; W831-L1119 HydrophobicContact CB-CD1 3.72Å; W831-L1119 HydrophobicContact CE3-CD1 4.18Å
832G66.9Low66.1Low21 Ų2135.4 Ų35.422%0.21624%0.235CC..SBendtrans-69.8162.5178.400000113.4T828 S834T828-G832 WeakPolarHBondContact O-CA 3.44Å; T828-G832 PolarHBondContact O-N 2.76Å; G832-S834 PolarHBondContact O-N 2.99Å
833D60.8Low63.9Low67 Ų6736.6 Ų36.636%0.35825%0.247SC..  trans-61.2135.9173.3-87.2-11.8000109.9S835 S836 A837 R1126D833-S835 PolarHBondContact O-N 2.65Å; D833-S836 WeakPolarHBondContact O-CA 3.02Å; D833-S836 PolarHBondContact O-N 2.7Å; D833-A837 PolarHBondContact O-N 2.83Å; D833-R1126 IonicContact OD1-NH1 3.98Å; D833-R1126 IonicContact OD2-CZ 3.67Å; D833-R1126 IonicContact OD2-NH1 3.43Å; D833-R1126 PolarHBondContact OD2-NH1 3.42Å; D833-R1126 IonicContact OD2-NH2 3.38Å; D833-R1126 PolarHBondContact OD2-NH2 3.31Å; D833-R1126 VanDerWaalsContact OD2-NH2 3.12Å
834S51.2Low61.9Low108 Ų10838.2 Ų38.276%0.75526%0.263SS*.Hα-helixtrans-56.4-26.8-179.1-42.80000112.9G832 A838G832-S834 PolarHBondContact O-N 2.99Å; S834-A838 WeakPolarHBondContact O-CB 3.33Å; S834-A838 PolarHBondContact O-N 3.35Å
835S50.7Low60Low97 Ų9742.7 Ų42.768%0.67828%0.28SS*.Hα-helixtrans-75.6-29.2174.9-170.60000113.6D833 A839D833-S835 PolarHBondContact O-N 2.65Å; S835-A839 WeakPolarHBondContact O-CB 3.39Å; S835-A839 PolarHBondContact O-N 3.07Å; S835-A839 VanDerWaalsContact O-N 3.17Å
836S47.5Very low57.8Low46 Ų4648.3 Ų48.332%0.32231%0.306SS..Hα-helixtrans-83.5-39.4177.6163.50000110.8D833 A839 A840D833-S836 WeakPolarHBondContact O-CA 3.02Å; D833-S836 PolarHBondContact O-N 2.7Å; S836-A839 PolarHBondContact O-N 3.07Å; S836-A840 VanDerWaalsContact O-CB 3.31Å; S836-A840 WeakPolarHBondContact O-CB 3.26Å; S836-A840 PolarHBondContact O-N 2.84Å
837A46.7Very low55.8Low17 Ų1753.8 Ų53.814%0.1433%0.332CS..Hα-helixtrans-65-43.5171.700000112.1L829 D833 A839 A840 E841L829-A837 HydrophobicContact CD2-CB 4.23Å; D833-A837 PolarHBondContact O-N 2.83Å; A837-A839 PolarHBondContact O-N 2.67Å; A837-A840 PolarHBondContact O-N 2.8Å; A837-E841 WeakPolarHBondContact O-CB 3.49Å; A837-E841 WeakPolarHBondContact O-CG 3.42Å; A837-E841 PolarHBondContact O-N 2.78Å
838A43.8Very low53.7Low51 Ų5155.8 Ų55.842%0.42135%0.352SS..Hα-helixtrans-69-30.3175.900000113.2S834 A842S834-A838 WeakPolarHBondContact O-CB 3.33Å; S834-A838 PolarHBondContact O-N 3.35Å; A838-A842 WeakPolarHBondContact O-CB 3.3Å; A838-A842 PolarHBondContact O-N 3.49Å
839A43.8Very low51.6Low55 Ų5563.7 Ų63.746%0.45539%0.394SS..Hα-helixtrans-73.9-39.117300000112.1S835 S836 A837 A842 A843S835-A839 WeakPolarHBondContact O-CB 3.39Å; S835-A839 PolarHBondContact O-N 3.07Å; S835-A839 VanDerWaalsContact O-N 3.17Å; S836-A839 PolarHBondContact O-N 3.07Å; A837-A839 PolarHBondContact O-N 2.67Å; A839-A842 PolarHBondContact O-N 3.18Å; A839-A843 VanDerWaalsContact O-CB 3.23Å; A839-A843 WeakPolarHBondContact O-CB 3.17Å; A839-A843 PolarHBondContact O-N 3.41Å
840A47Very low49.4Very low29 Ų2966 Ų6624%0.2441%0.413CS..Hα-helixtrans-65.6-39.6174.100000111.9S836 A837 A844S836-A840 VanDerWaalsContact O-CB 3.31Å; S836-A840 WeakPolarHBondContact O-CB 3.26Å; S836-A840 PolarHBondContact O-N 2.84Å; A837-A840 PolarHBondContact O-N 2.8Å; A840-A844 PolarHBondContact O-N 3.11Å
841E49.9Very low47.4Very low85 Ų8569.4 Ų69.440%0.39745%0.451SS..Hα-helixtrans-63.8-57.1168.8-75.9177.4174.200110.3A837 A843 A844 W845A837-E841 WeakPolarHBondContact O-CB 3.49Å; A837-E841 WeakPolarHBondContact O-CG 3.42Å; A837-E841 PolarHBondContact O-N 2.78Å; E841-A843 VanDerWaalsContact C-N 3.29Å; E841-A843 PolarHBondContact O-N 2.69Å; E841-A844 WeakPolarHBondContact O-CB 3.37Å; E841-A844 PolarHBondContact O-N 2.89Å; E841-W845 PolarHBondContact O-N 3.28Å; E841-W845 PolarHBondContact O-NE1 3.38Å
842A43.8Very low45.3Very low40 Ų4076.3 Ų76.333%0.33148%0.483SS..Hα-helixtrans-56.8-37.6-17700000114A838 A839 W845 Q846A838-A842 WeakPolarHBondContact O-CB 3.3Å; A838-A842 PolarHBondContact O-N 3.49Å; A839-A842 PolarHBondContact O-N 3.18Å; A842-W845 PolarHBondContact O-N 2.85Å; A842-Q846 WeakPolarHBondContact O-CG 3.32Å; A842-Q846 PolarHBondContact O-N 3.31Å
843A43.5Very low43.9Very low37 Ų3779.5 Ų79.531%0.30650%0.502SS..Hα-helixtrans-68.4-31.4175.900000112.9A839 E841 W845 L902A839-A843 VanDerWaalsContact O-CB 3.23Å; A839-A843 WeakPolarHBondContact O-CB 3.17Å; A839-A843 PolarHBondContact O-N 3.41Å; E841-A843 VanDerWaalsContact C-N 3.29Å; E841-A843 PolarHBondContact O-N 2.69Å; A843-W845 VanDerWaalsContact C-N 3.27Å; A843-W845 PolarHBondContact O-N 3.46Å; A843-L902 HydrophobicContact CB-CD1 4.39Å
844A46.4Very low42.7Very low56 Ų5685.2 Ų85.246%0.46352%0.524SS..Hα-helixtrans-71.7-20.9172.300000112.9A840 E841A840-A844 PolarHBondContact O-N 3.11Å; E841-A844 WeakPolarHBondContact O-CB 3.37Å; E841-A844 PolarHBondContact O-N 2.89Å
845W47.4Very low42.1Very low95 Ų9585.2 Ų85.236%0.3652%0.52SS..Hα-helixtrans-107.9-21.1-170.4-60.1121000115.6S258 V259 E841 A842 A843 H847 R857S258-W845 WeakPolarHBondContact OG-CZ2 3.44Å; V259-W845 HydrophobicContact CB-CH2 4.42Å; V259-W845 HydrophobicContact CB-CZ3 4.4Å; V259-W845 HydrophobicContact CG2-CD2 4.13Å; V259-W845 HydrophobicContact CG2-CE3 3.66Å; V259-W845 HydrophobicContact CG2-CH2 2.96Å; V259-W845 HydrophobicContact CG2-CZ2 3.47Å; V259-W845 VanDerWaalsContact CG2-CZ2 3.47Å; V259-W845 HydrophobicContact CG2-CZ3 3.05Å; E841-W845 PolarHBondContact O-N 3.28Å; E841-W845 PolarHBondContact O-NE1 3.38Å; A842-W845 PolarHBondContact O-N 2.85Å; A843-W845 VanDerWaalsContact C-N 3.27Å; A843-W845 PolarHBondContact O-N 3.46Å; W845-H847 VanDerWaalsContact C-N 3.28Å; W845-H847 PolarHBondContact O-N 3.39Å; W845-R857 HydrophobicContact CH2-CG 3.94Å; W845-R857 HydrophobicContact CZ3-CG 4.49Å
846Q39.3Very low41.8Very low152 Ų15285.3 Ų85.371%0.7151%0.509SS*.THydrogen-bonded Turntrans-75.9-6.3-174.6-81.5-174.8-4.600115.4A842A842-Q846 WeakPolarHBondContact O-CG 3.32Å; A842-Q846 PolarHBondContact O-N 3.31Å
847H43.3Very low42.2Very low122 Ų12287 Ų8757%0.56551%0.509SS*.THydrogen-bonded Turntrans-112.511.8-174.5-67.7-59.1000115.3W845 D849W845-H847 VanDerWaalsContact C-N 3.28Å; W845-H847 PolarHBondContact O-N 3.39Å; H847-D849 PolarHBondContact O-N 2.91Å
848G39.6Very low43.2Very low42 Ų4289 Ų8943%0.43352%0.515SS..THydrogen-bonded Turntrans-79.49.1176.400000115.9S850 E856G848-S850 VanDerWaalsContact C-N 3.32Å; G848-E856 VanDerWaalsContact CA-OE1 3.3Å; G848-E856 WeakPolarHBondContact CA-OE1 3.49Å
849D33.5Very low44.9Very low171 Ų17187.9 Ų87.991%0.91450%0.5SS*.THydrogen-bonded Turntrans-89.45.7-177-132.710.4000113.7H847H847-D849 PolarHBondContact O-N 2.91Å
850S33.1Very low46.8Very low78 Ų7889.6 Ų89.655%0.54550%0.495SS..SBendtrans-125.788.5173.561.10000111.3G848 H852G848-S850 VanDerWaalsContact C-N 3.32Å; S850-H852 PolarHBondContact O-CD2 2.93Å; S850-H852 PolarHBondContact O-N 2.85Å
851G38Very low48.7Very low81 Ų8188.2 Ų88.284%0.83548%0.483SS*.  trans40.814.5140.800000121.9
852H36Very low50.3Low152 Ų15285.3 Ų85.370%0.70447%0.471SS*.  trans-93.8118-177.8-81.7-69.1000110.7S850S850-H852 PolarHBondContact O-CD2 2.93Å; S850-H852 PolarHBondContact O-N 2.85Å
853S36Very low52.3Low88 Ų8887.6 Ų87.662%0.61547%0.471SS*.  trans-58.9140.2177.755.10000112.6V855S853-V855 PolarHBondContact O-N 3.48Å
854F35.8Very low54.2Low188 Ų18888.2 Ų88.283%0.82547%0.472SS*.SBendtrans55.8-14153.5-164.1-101.4000120.2
855V38.4Very low56.1Low108 Ų10885.9 Ų85.966%0.65545%0.451SS*.  trans-93.73.3-173.1-177.10000112.9S853 R857S853-V855 PolarHBondContact O-N 3.48Å; V855-R857 PolarHBondContact O-N 3.1Å; V855-R857 VanDerWaalsContact O-N 3.1Å
856E45.3Very low58.1Low98 Ų9881.3 Ų81.346%0.45843%0.434SS..  trans-77.699.6177.9-71.9-177.6149.300112.2R619 G848R619-E856 IonicContact NH1-OE2 3.4Å; R619-E856 PolarHBondContact NH1-OE2 3.14Å; G848-E856 VanDerWaalsContact CA-OE1 3.3Å; G848-E856 WeakPolarHBondContact CA-OE1 3.49Å
857R56.6Low60.5Low82 Ų8276.7 Ų76.731%0.30941%0.411SS..  trans141.162146.3-74.9172.3-146.5-162.59.3112.8D257 V259 W845 V855D257-R857 IonicContact OD1-NH1 4Å; V259-R857 VanDerWaalsContact CG2-NH2 3.27Å; W845-R857 HydrophobicContact CH2-CG 3.94Å; W845-R857 HydrophobicContact CZ3-CG 4.49Å; V855-R857 PolarHBondContact O-N 3.1Å; V855-R857 VanDerWaalsContact O-N 3.1Å
858Q66.6Low62.6Low58 Ų5870.9 Ų70.927%0.27139%0.385SS..  trans-82.8137.2161.6-68.8-176.5-700109.3R860Q858-R860 PolarHBondContact O-N 2.92Å
859Y80.1Confident65Low28 Ų2868.9 Ų68.911%0.1136%0.364CS..  trans-55.1141.4168.3-63.4-66000109.1E792 Y818 F821 K822 H825 F826E792-Y859 VanDerWaalsContact CD-OH 3.24Å; E792-Y859 WeakPolarHBondContact OE1-CE2 3.32Å; E792-Y859 PolarHBondContact OE1-OH 3.41Å; E792-Y859 PolarHBondContact OE2-OH 3.36Å; Y818-Y859 HydrophobicContact CE1-CD2 4.38Å; Y818-Y859 HydrophobicContact CE1-CE2 4.33Å; Y818-Y859 AromaticContact CZ-CD2 3.87Å; Y818-Y859 WeakPolarHBondContact OH-CD2 3.47Å; Y818-Y859 WeakPolarHBondContact OH-CE2 3.35Å; F821-Y859 VanDerWaalsContact CE1-O 3.25Å; F821-Y859 WeakPolarHBondContact CE1-O 3.41Å; K822-Y859 HydrophobicContact CB-CD2 4.1Å; K822-Y859 HydrophobicContact CB-CE2 4.24Å; K822-Y859 HydrophobicContact CD-CD2 4.16Å; K822-Y859 HydrophobicContact CD-CE2 3.44Å; K822-Y859 VanDerWaalsContact CD-CE2 3.44Å; K822-Y859 HydrophobicContact CG-CD2 4Å; K822-Y859 HydrophobicContact CG-CE1 4.29Å; K822-Y859 HydrophobicContact CG-CE2 3.7Å; K822-Y859 HydrophobicContact CG-CG 4.44Å; H825-Y859 HydrophobicContact CB-CD1 4.47Å; H825-Y859 AromaticContact CD2-CD1 3.67Å; F826-Y859 HydrophobicContact CE1-CD1 4.47Å; F826-Y859 AromaticContact CE1-CE1 3.66Å; F826-Y859 HydrophobicContact CE1-CE1 3.66Å; F826-Y859 AromaticContact CZ-CE1 3.97Å; F826-Y859 HydrophobicContact CZ-CE1 3.97Å; F826-Y859 AromaticContact CZ-CZ 3.98Å
860R83.8Confident67.8Low91 Ų9161 Ų6134%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-130.7148.3176.8-64.9-176.7179.8-170.8-2.3109.7H825 Q858 D900 L902 V903 T904H825-R860 PolarHBondContact ND1-O 3.21Å; Q858-R860 PolarHBondContact O-N 2.92Å; R860-D900 IonicContact NH1-OD2 3.82Å; R860-L902 HydrophobicContact CB-CB 4.11Å; R860-L902 HydrophobicContact CB-CD1 4.29Å; R860-L902 HydrophobicContact CB-CD2 4.38Å; R860-L902 HydrophobicContact CB-CG 4.5Å; R860-V903 VanDerWaalsContact CA-O 3.31Å; R860-V903 WeakPolarHBondContact CA-O 3.49Å; R860-T904 HydrophobicContact CG-CG2 4.49Å
861L86.1Confident70.4Confident0 Ų058.5 Ų58.50%031%0.308CS..EExtended strand (participates in β ladder)trans-110.4135.6177-60.8-176.4000111.1F821 E824 H825 Q865 L869 L902 V903F821-L861 HydrophobicContact CD1-CG 4.45Å; F821-L861 HydrophobicContact CD2-CD1 3.42Å; F821-L861 VanDerWaalsContact CD2-CD1 3.42Å; F821-L861 HydrophobicContact CD2-CG 3.92Å; F821-L861 HydrophobicContact CE1-CD2 4.4Å; F821-L861 HydrophobicContact CE1-CG 4.04Å; F821-L861 HydrophobicContact CE2-CB 4.36Å; F821-L861 HydrophobicContact CE2-CD1 3.37Å; F821-L861 HydrophobicContact CE2-CG 3.48Å; F821-L861 VanDerWaalsContact CE2-CG 3.48Å; F821-L861 HydrophobicContact CG-CD1 4.1Å; F821-L861 HydrophobicContact CG-CG 4.39Å; F821-L861 HydrophobicContact CZ-CB 4.39Å; F821-L861 HydrophobicContact CZ-CD1 4Å; F821-L861 HydrophobicContact CZ-CD2 4.39Å; F821-L861 HydrophobicContact CZ-CG 3.55Å; E824-L861 HydrophobicContact CB-CD2 4.19Å; H825-L861 HydrophobicContact CB-CD2 3.96Å; L861-Q865 HydrophobicContact CB-CB 3.94Å; L861-Q865 HydrophobicContact CD1-CB 4.5Å; L861-Q865 HydrophobicContact CD2-CB 3.95Å; L861-Q865 HydrophobicContact CD2-CG 4.45Å; L861-Q865 HydrophobicContact CG-CB 4.32Å; L861-L869 HydrophobicContact CD1-CD1 3.39Å; L861-L869 HydrophobicContact CD1-CG 4.49Å; L861-L902 WeakPolarHBondContact O-CA 3.31Å; L861-V903 PolarHBondContact N-O 3.35Å; L861-V903 PolarHBondContact O-N 3.28Å
862D83.6Confident72.9Confident25 Ų2555.7 Ų55.713%0.13427%0.274CS..  trans-77173.8165.772.417.2000111.3P864 Q865 F866 F892 L902D862-P864 WeakPolarHBondContact OD1-CD 2.98Å; D862-Q865 VanDerWaalsContact CG-OE1 3.29Å; D862-Q865 PolarHBondContact O-N 3.28Å; D862-Q865 VanDerWaalsContact OD1-CB 3.26Å; D862-Q865 WeakPolarHBondContact OD1-CB 3.24Å; D862-Q865 WeakPolarHBondContact OD1-CG 3.34Å; D862-Q865 PolarHBondContact OD1-N 3.23Å; D862-Q865 PolarHBondContact OD1-OE1 3.01Å; D862-F866 WeakPolarHBondContact O-CB 3.43Å; D862-F866 PolarHBondContact O-N 3.47Å; D862-F892 VanDerWaalsContact C-CE2 3.45Å; D862-L902 HydrophobicContact CB-CD2 4.18Å
863R85.2Confident75.6Confident87 Ų8748.4 Ų48.433%0.32824%0.24SC..Hα-helixtrans-61.5-46.3-176.4-169.3179.7-115.5-122.97.3113.2Q865 F866 K867 N889 F892 T893R863-Q865 VanDerWaalsContact C-N 3.33Å; R863-Q865 PolarHBondContact O-N 3.06Å; R863-F866 PolarHBondContact O-N 2.97Å; R863-K867 WeakPolarHBondContact O-CB 3.12Å; R863-K867 PolarHBondContact O-N 2.86Å; R863-N889 PolarHBondContact NH1-OD1 3.13Å; R863-N889 PolarHBondContact NH2-O 2.62Å; R863-F892 VanDerWaalsContact CA-CE2 3.47Å; R863-F892 HydrophobicContact CB-CD1 3.98Å; R863-F892 HydrophobicContact CB-CD2 4.1Å; R863-F892 HydrophobicContact CB-CE1 3.86Å; R863-F892 HydrophobicContact CB-CE2 3.98Å; R863-F892 HydrophobicContact CB-CG 4.08Å; R863-F892 HydrophobicContact CB-CZ 3.85Å; R863-F892 HydrophobicContact CG-CB 4.28Å; R863-F892 HydrophobicContact CG-CD1 3.91Å; R863-F892 HydrophobicContact CG-CD2 4.26Å; R863-F892 HydrophobicContact CG-CE1 4.3Å; R863-F892 HydrophobicContact CG-CG 3.87Å; R863-T893 PolarHBondContact NH2-OG1 2.92Å
864P84.3Confident78.1Confident51 Ų5144.5 Ų44.533%0.33121%0.213SC..Hα-helixtrans-57.8-37.9172.1-26.733.1000114.9D862 S868 R1115D862-P864 WeakPolarHBondContact OD1-CD 2.98Å; P864-S868 PolarHBondContact O-N 3.1Å; P864-R1115 PolarHBondContact O-NH1 3.27Å
865Q86.7Confident80.5Confident6 Ų636.8 Ų36.83%0.02818%0.182CC..Hα-helixtrans-70.7-48.1178.9-73.8169.1-43.200111.3E824 H825 T828 L861 D862 R863 K867 S868 L869E824-Q865 HydrophobicContact CG-CB 3.8Å; E824-Q865 HydrophobicContact CG-CG 4.11Å; E824-Q865 PolarHBondContact O-NE2 3.25Å; E824-Q865 VanDerWaalsContact O-NE2 3.08Å; H825-Q865 VanDerWaalsContact CA-NE2 3.33Å; H825-Q865 PolarHBondContact O-NE2 3.2Å; T828-Q865 WeakPolarHBondContact OG1-CG 3.47Å; T828-Q865 PolarHBondContact OG1-NE2 3.34Å; L861-Q865 HydrophobicContact CB-CB 3.94Å; L861-Q865 HydrophobicContact CD1-CB 4.5Å; L861-Q865 HydrophobicContact CD2-CB 3.95Å; L861-Q865 HydrophobicContact CD2-CG 4.45Å; L861-Q865 HydrophobicContact CG-CB 4.32Å; D862-Q865 VanDerWaalsContact CG-OE1 3.29Å; D862-Q865 PolarHBondContact O-N 3.28Å; D862-Q865 VanDerWaalsContact OD1-CB 3.26Å; D862-Q865 WeakPolarHBondContact OD1-CB 3.24Å; D862-Q865 WeakPolarHBondContact OD1-CG 3.34Å; D862-Q865 PolarHBondContact OD1-N 3.23Å; D862-Q865 PolarHBondContact OD1-OE1 3.01Å; R863-Q865 VanDerWaalsContact C-N 3.33Å; R863-Q865 PolarHBondContact O-N 3.06Å; Q865-K867 VanDerWaalsContact C-N 3.29Å; Q865-K867 PolarHBondContact O-N 2.92Å; Q865-S868 VanDerWaalsContact O-CB 3.26Å; Q865-S868 WeakPolarHBondContact O-CB 3.38Å; Q865-S868 PolarHBondContact O-N 2.77Å; Q865-S868 VanDerWaalsContact O-N 3.1Å; Q865-L869 PolarHBondContact O-N 3.41Å
866F89.8Confident82.5Confident0 Ų032.9 Ų32.90%016%0.156CC..Hα-helixtrans-57.5-44.1176.8179.9-93.9000111.5D862 R863 S868 L869 Y870 T891 F892 L895 V903 F908 W911D862-F866 WeakPolarHBondContact O-CB 3.43Å; D862-F866 PolarHBondContact O-N 3.47Å; R863-F866 PolarHBondContact O-N 2.97Å; F866-S868 VanDerWaalsContact C-N 3.28Å; F866-S868 PolarHBondContact O-N 2.83Å; F866-L869 PolarHBondContact O-N 3.37Å; F866-Y870 AromaticContact CE1-CD2 3.87Å; F866-Y870 HydrophobicContact CE1-CD2 3.87Å; F866-Y870 HydrophobicContact CZ-CD2 4.17Å; F866-Y870 WeakPolarHBondContact O-CB 3.5Å; F866-Y870 PolarHBondContact O-N 3.25Å; F866-T891 HydrophobicContact CE1-CG2 3.83Å; F866-T891 HydrophobicContact CZ-CG2 3.55Å; F866-F892 HydrophobicContact CB-CD2 3.61Å; F866-F892 HydrophobicContact CB-CE2 4.05Å; F866-F892 HydrophobicContact CD1-CB 3.98Å; F866-F892 AromaticContact CD1-CD2 3.98Å; F866-F892 HydrophobicContact CD1-CD2 3.98Å; F866-F892 HydrophobicContact CE1-CB 4.37Å; F866-F892 AromaticContact CG-CD2 3.79Å; F866-F892 HydrophobicContact CG-CD2 3.79Å; F866-L895 HydrophobicContact CE2-CD1 3.7Å; F866-L895 HydrophobicContact CZ-CD1 3.75Å; F866-V903 HydrophobicContact CD2-CG1 4.19Å; F866-V903 HydrophobicContact CD2-CG2 4.42Å; F866-V903 HydrophobicContact CE2-CG1 4.42Å; F866-F908 HydrophobicContact CD2-CD2 4.07Å; F866-F908 AromaticContact CE2-CD2 3.85Å; F866-F908 HydrophobicContact CE2-CD2 3.85Å; F866-F908 HydrophobicContact CE2-CE2 4.4Å; F866-W911 HydrophobicContact CE2-CD2 4.47Å; F866-W911 HydrophobicContact CE2-CE3 4.05Å; F866-W911 HydrophobicContact CE2-CZ3 4.36Å; F866-W911 HydrophobicContact CZ-CD2 4.14Å; F866-W911 HydrophobicContact CZ-CE3 4.07Å; F866-W911 HydrophobicContact CZ-CZ3 4.32Å
867K88.3Confident83.4Confident54 Ų5430.7 Ų30.724%0.23515%0.149CC..Hα-helixtrans-56.4-40.1175.9174.2178.2179-177.60113.1R863 Q865 Y870 G871 D885 S888R863-K867 WeakPolarHBondContact O-CB 3.12Å; R863-K867 PolarHBondContact O-N 2.86Å; Q865-K867 VanDerWaalsContact C-N 3.29Å; Q865-K867 PolarHBondContact O-N 2.92Å; K867-Y870 WeakPolarHBondContact O-CB 3.42Å; K867-Y870 PolarHBondContact O-N 3.07Å; K867-G871 PolarHBondContact O-N 3.34Å; K867-G871 VanDerWaalsContact O-N 3.12Å; K867-D885 WeakPolarHBondContact CE-OD1 3.48Å; K867-D885 IonicContact NZ-OD1 3.35Å; K867-D885 PolarHBondContact NZ-OD1 3.44Å; K867-D885 IonicContact NZ-OD2 2.64Å; K867-D885 PolarHBondContact NZ-OD2 3.3Å; K867-S888 WeakPolarHBondContact CG-OG 3.49Å
868S88Confident83.5Confident1 Ų129.1 Ų29.11%0.00715%0.151CC..Hα-helixtrans-60.7-52.5177.5-171.30000110.8E824 P864 Q865 F866 Y870 G871 L872E824-S868 WeakPolarHBondContact OE1-CB 3.23Å; E824-S868 PolarHBondContact OE1-OG 3.05Å; P864-S868 PolarHBondContact O-N 3.1Å; Q865-S868 VanDerWaalsContact O-CB 3.26Å; Q865-S868 WeakPolarHBondContact O-CB 3.38Å; Q865-S868 PolarHBondContact O-N 2.77Å; Q865-S868 VanDerWaalsContact O-N 3.1Å; F866-S868 VanDerWaalsContact C-N 3.28Å; F866-S868 PolarHBondContact O-N 2.83Å; S868-Y870 VanDerWaalsContact C-N 3.33Å; S868-Y870 PolarHBondContact O-N 3.21Å; S868-G871 PolarHBondContact O-N 3.08Å; S868-L872 PolarHBondContact O-N 3.22Å
869L90.9Very high82.8Confident0 Ų029 Ų290%017%0.166CC..Hα-helixtrans-65-35.8177.4-68.9-179.9000112.7F821 E824 L861 Q865 F866 G871 L872 L873 F908F821-L869 HydrophobicContact CD2-CD1 4.4Å; E824-L869 HydrophobicContact CB-CD1 3.98Å; E824-L869 HydrophobicContact CB-CD2 4.24Å; E824-L869 HydrophobicContact CB-CG 4.07Å; E824-L869 HydrophobicContact CG-CD1 4.28Å; E824-L869 HydrophobicContact CG-CD2 4.46Å; E824-L869 HydrophobicContact CG-CG 4Å; L861-L869 HydrophobicContact CD1-CD1 3.39Å; L861-L869 HydrophobicContact CD1-CG 4.49Å; Q865-L869 PolarHBondContact O-N 3.41Å; F866-L869 PolarHBondContact O-N 3.37Å; L869-G871 VanDerWaalsContact C-N 3.32Å; L869-G871 PolarHBondContact O-N 3.11Å; L869-L872 HydrophobicContact CD2-CD1 4.49Å; L869-L872 PolarHBondContact O-N 3.29Å; L869-L872 VanDerWaalsContact O-N 3.13Å; L869-L873 HydrophobicContact CB-CD1 4.41Å; L869-L873 WeakPolarHBondContact O-CB 3.41Å; L869-L873 PolarHBondContact O-N 3.32Å; L869-F908 HydrophobicContact CB-CE2 3.89Å; L869-F908 HydrophobicContact CB-CZ 4.11Å; L869-F908 HydrophobicContact CD1-CE2 3.82Å; L869-F908 HydrophobicContact CD1-CZ 3.76Å
870Y91.5Very high81.8Confident4 Ų429.4 Ų29.42%0.01617%0.172CC..Hα-helixtrans-56.3-48.1174.7-171.5-79.2000110.9F866 K867 S868 L872 L873 A874 M884 L887 T891 W911F866-Y870 AromaticContact CE1-CD2 3.87Å; F866-Y870 HydrophobicContact CE1-CD2 3.87Å; F866-Y870 HydrophobicContact CZ-CD2 4.17Å; F866-Y870 WeakPolarHBondContact O-CB 3.5Å; F866-Y870 PolarHBondContact O-N 3.25Å; K867-Y870 WeakPolarHBondContact O-CB 3.42Å; K867-Y870 PolarHBondContact O-N 3.07Å; S868-Y870 VanDerWaalsContact C-N 3.33Å; S868-Y870 PolarHBondContact O-N 3.21Å; Y870-L872 PolarHBondContact O-N 3.1Å; Y870-L873 PolarHBondContact O-N 3.01Å; Y870-A874 HydrophobicContact CD1-CB 4.21Å; Y870-A874 HydrophobicContact CE1-CB 3.98Å; Y870-A874 WeakPolarHBondContact O-CB 3.45Å; Y870-A874 PolarHBondContact O-N 3.42Å; Y870-M884 HydrophobicContact CD1-CG 4.06Å; Y870-M884 HydrophobicContact CE1-CG 4.13Å; Y870-L887 HydrophobicContact CE1-CB 4.38Å; Y870-L887 WeakPolarHBondContact OH-CB 3.44Å; Y870-T891 HydrophobicContact CE2-CG2 4.32Å; Y870-W911 AromaticContact CD2-CH2 3.66Å; Y870-W911 HydrophobicContact CD2-CH2 3.66Å; Y870-W911 AromaticContact CD2-CZ2 3.26Å; Y870-W911 HydrophobicContact CD2-CZ2 3.26Å; Y870-W911 HydrophobicContact CE2-CH2 4.26Å; Y870-W911 AromaticContact CE2-CZ2 3.41Å; Y870-W911 HydrophobicContact CE2-CZ2 3.41Å; Y870-W911 VanDerWaalsContact CE2-CZ2 3.41Å; Y870-W911 HydrophobicContact CG-CH2 4.22Å; Y870-W911 HydrophobicContact CG-CZ2 4.17Å
871G88.3Confident80.9Confident26 Ų2629.3 Ų29.327%0.26819%0.186SC..Hα-helixtrans-65.3-24.3178.500000114.5K867 S868 L869K867-G871 PolarHBondContact O-N 3.34Å; K867-G871 VanDerWaalsContact O-N 3.12Å; S868-G871 PolarHBondContact O-N 3.08Å; L869-G871 VanDerWaalsContact C-N 3.32Å; L869-G871 PolarHBondContact O-N 3.11Å
872L89.6Confident80.2Confident22 Ų2234.1 Ų34.112%0.11521%0.208CC..Hα-helixtrans-85.1-35.6177.2-68.6172.1000113.1S868 L869 Y870 A1107 N1110 Q1111S868-L872 PolarHBondContact O-N 3.22Å; L869-L872 HydrophobicContact CD2-CD1 4.49Å; L869-L872 PolarHBondContact O-N 3.29Å; L869-L872 VanDerWaalsContact O-N 3.13Å; Y870-L872 PolarHBondContact O-N 3.1Å; L872-A1107 HydrophobicContact CB-CB 3.88Å; L872-A1107 HydrophobicContact CD1-CB 4.19Å; L872-A1107 HydrophobicContact CG-CB 4.45Å; L872-N1110 HydrophobicContact CD2-CB 4.05Å; L872-Q1111 HydrophobicContact CD1-CB 3.99Å; L872-Q1111 HydrophobicContact CD1-CG 4.29Å
873L92.3Very high79.8Confident0 Ų035.6 Ų35.60%021%0.214CC..Hα-helixtrans-112.7-13.1-164.7-63.7168.3000113.9L817 L820 L869 Y870 F908 L912 Y916 I1104 A1107L817-L873 HydrophobicContact CD2-CD1 3.98Å; L817-L873 HydrophobicContact CD2-CD2 4.37Å; L820-L873 HydrophobicContact CD1-CD2 4.34Å; L869-L873 HydrophobicContact CB-CD1 4.41Å; L869-L873 WeakPolarHBondContact O-CB 3.41Å; L869-L873 PolarHBondContact O-N 3.32Å; Y870-L873 PolarHBondContact O-N 3.01Å; L873-F908 HydrophobicContact CD1-CE1 4.43Å; L873-F908 HydrophobicContact CD1-CZ 3.69Å; L873-L912 HydrophobicContact CB-CD2 3.9Å; L873-L912 HydrophobicContact CD1-CD1 4.07Å; L873-Y916 VanDerWaalsContact O-CE2 3.27Å; L873-Y916 WeakPolarHBondContact O-CE2 3.27Å; L873-Y916 PolarHBondContact O-OH 3.39Å; L873-I1104 HydrophobicContact CD2-CG1 4.24Å; L873-A1107 HydrophobicContact CD2-CB 3.9Å; L873-A1107 HydrophobicContact CG-CB 4.45Å
874A89.7Confident79.6Confident5 Ų533.1 Ų33.14%0.04121%0.206CC..  trans-59133.6172.700000110.4Y870 W876 K1103Y870-A874 HydrophobicContact CD1-CB 4.21Å; Y870-A874 HydrophobicContact CE1-CB 3.98Å; Y870-A874 WeakPolarHBondContact O-CB 3.45Å; Y870-A874 PolarHBondContact O-N 3.42Å; A874-W876 VanDerWaalsContact C-N 3.33Å; A874-K1103 PolarHBondContact O-NZ 2.94Å
875P85.4Confident79.5Confident26 Ų2633.3 Ų33.317%0.16921%0.205CC..  trans-74.9-24.1-176.628.8-33.5000112.6L915 Y916 A1098P875-L915 HydrophobicContact CG-CB 4.15Å; P875-Y916 HydrophobicContact CB-CE1 4.13Å; P875-Y916 HydrophobicContact CB-CE2 4.23Å; P875-Y916 HydrophobicContact CG-CE2 4.26Å; P875-A1098 HydrophobicContact CB-CB 4.08Å
876W79.6Confident79.5Confident27 Ų2734.9 Ų34.910%0.10222%0.215CC..SBendtrans-82.1134-171.4-53.7-48000112.6A874 S878 L915 L927 M1016 F1093 F1094A874-W876 VanDerWaalsContact C-N 3.33Å; W876-S878 PolarHBondContact O-N 3.27Å; W876-L915 HydrophobicContact CH2-CD2 3.41Å; W876-L915 VanDerWaalsContact CH2-CD2 3.41Å; W876-L915 HydrophobicContact CZ2-CD2 3.76Å; W876-L915 HydrophobicContact CZ3-CD2 4.05Å; W876-L927 HydrophobicContact CH2-CD1 4.27Å; W876-L927 HydrophobicContact CH2-CD2 3.56Å; W876-L927 HydrophobicContact CH2-CG 4Å; W876-L927 HydrophobicContact CZ2-CD1 4.44Å; W876-L927 HydrophobicContact CZ2-CD2 4.47Å; W876-L927 HydrophobicContact CZ3-CD2 3.78Å; W876-M1016 HydrophobicContact CB-CB 4.5Å; W876-M1016 HydrophobicContact CB-CG 4.26Å; W876-M1016 HydrophobicContact CD2-CE 4.04Å; W876-M1016 HydrophobicContact CD2-SD 3.93Å; W876-M1016 HydrophobicContact CE3-CE 3.28Å; W876-M1016 HydrophobicContact CE3-SD 3.8Å; W876-M1016 HydrophobicContact CG-SD 4.34Å; W876-M1016 HydrophobicContact CH2-CE 4.28Å; W876-M1016 HydrophobicContact CZ3-CE 3.41Å; W876-M1016 VanDerWaalsContact CZ3-CE 3.41Å; W876-M1016 HydrophobicContact CZ3-SD 4.19Å; W876-F1093 AromaticContact CD1-CE1 3.94Å; W876-F1094 HydrophobicContact CZ2-CD1 4.49Å; W876-F1094 HydrophobicContact CZ2-CE1 4.11Å
877P65.8Low79.4Confident51 Ų5135.5 Ų35.533%0.33122%0.218SC..  trans-60.4133.3172-14.327.2000109.7
878S57.8Low79.4Confident50 Ų5033 Ų3335%0.3521%0.207SC..  trans-124.5106.2172.866.40000109.7W876 C880 M884W876-S878 PolarHBondContact O-N 3.27Å; S878-C880 PolarHBondContact O-N 2.95Å; S878-M884 WeakPolarHBondContact OG-CE 3.32Å
879G52.6Low79.4Confident56 Ų5635.2 Ų35.258%0.57722%0.219SC*.SBendtrans-75.2-10.6171.500000114.6
880C59.5Low79.4Confident36 Ų3635.4 Ų35.424%0.24322%0.22CC..  trans-122.8114.5-179.9-173.80000111.9S878 Q882 H883S878-C880 PolarHBondContact O-N 2.95Å; C880-Q882 VanDerWaalsContact C-N 3.26Å; C880-Q882 PolarHBondContact O-N 3.38Å; C880-H883 PolarHBondContact O-N 3.29Å
881S64.1Low79.4Confident89 Ų8935.2 Ų35.262%0.62222%0.219SC*.Hα-helixtrans-63.6-28.6-179.261.70000113.5D885S881-D885 PolarHBondContact O-N 3.37Å
882Q70.6Confident79.5Confident100 Ų10034.1 Ų34.147%0.46721%0.207SC..Hα-helixtrans-71.2-37.5-179-68.8179.6-10.700112.7C880 D885 T886C880-Q882 VanDerWaalsContact C-N 3.26Å; C880-Q882 PolarHBondContact O-N 3.38Å; Q882-D885 WeakPolarHBondContact O-CB 3.44Å; Q882-D885 PolarHBondContact O-N 2.94Å; Q882-T886 PolarHBondContact O-N 2.81Å; Q882-T886 PolarHBondContact O-OG1 3.2Å
883H76.4Confident79.4Confident57 Ų5734.6 Ų34.626%0.26421%0.211SC..Hα-helixtrans-72.1-37.9178.7-80-42.4000112.5C880 D885 T886 L887 S1015C880-H883 PolarHBondContact O-N 3.29Å; H883-D885 VanDerWaalsContact C-N 3.28Å; H883-D885 PolarHBondContact O-N 3.31Å; H883-T886 PolarHBondContact O-N 3.02Å; H883-L887 WeakPolarHBondContact O-CG 3.31Å; H883-L887 PolarHBondContact O-N 3.35Å; H883-S1015 PolarHBondContact CD2-OG 3.43Å
884M80.3Confident79.1Confident34 Ų3436 Ų3617%0.16722%0.218CC..Hα-helixtrans-60-40.5172.8177.8172.6-88.700111.6Y870 S878 T886 L887 S888Y870-M884 HydrophobicContact CD1-CG 4.06Å; Y870-M884 HydrophobicContact CE1-CG 4.13Å; S878-M884 WeakPolarHBondContact OG-CE 3.32Å; M884-T886 PolarHBondContact O-N 2.79Å; M884-L887 PolarHBondContact O-N 3.07Å; M884-S888 WeakPolarHBondContact O-CB 3.29Å; M884-S888 PolarHBondContact O-N 3.32Å; M884-S888 PolarHBondContact O-OG 3.46Å
885D83.2Confident79Confident56 Ų5637.1 Ų37.130%0.29922%0.223SC..Hα-helixtrans-59.6-46.7175.4-71.5-2.6000111.7K867 S881 Q882 H883 S888 N889K867-D885 WeakPolarHBondContact CE-OD1 3.48Å; K867-D885 IonicContact NZ-OD1 3.35Å; K867-D885 PolarHBondContact NZ-OD1 3.44Å; K867-D885 IonicContact NZ-OD2 2.64Å; K867-D885 PolarHBondContact NZ-OD2 3.3Å; S881-D885 PolarHBondContact O-N 3.37Å; Q882-D885 WeakPolarHBondContact O-CB 3.44Å; Q882-D885 PolarHBondContact O-N 2.94Å; H883-D885 VanDerWaalsContact C-N 3.28Å; H883-D885 PolarHBondContact O-N 3.31Å; D885-S888 PolarHBondContact O-N 2.84Å; D885-S888 PolarHBondContact O-OG 2.83Å; D885-N889 WeakPolarHBondContact O-CB 3.41Å; D885-N889 VanDerWaalsContact O-CG 3.31Å; D885-N889 PolarHBondContact O-N 3.32Å; D885-N889 VanDerWaalsContact O-N 3.09Å; D885-N889 PolarHBondContact O-ND2 2.86Å
886T85Confident78.6Confident39 Ų3936.4 Ų36.424%0.23922%0.22CC..Hα-helixtrans-60.6-46.6176.7-60.20000112.3Q882 H883 M884 N889 R890 E940Q882-T886 PolarHBondContact O-N 2.81Å; Q882-T886 PolarHBondContact O-OG1 3.2Å; H883-T886 PolarHBondContact O-N 3.02Å; M884-T886 PolarHBondContact O-N 2.79Å; T886-N889 WeakPolarHBondContact O-CB 3.3Å; T886-N889 PolarHBondContact O-N 2.84Å; T886-R890 WeakPolarHBondContact O-CG 3.19Å; T886-R890 PolarHBondContact O-N 3.34Å; T886-E940 VanDerWaalsContact CG2-OE1 3.3Å; T886-E940 WeakPolarHBondContact CG2-OE1 3.36Å
887L87.8Confident77.7Confident13 Ų1340.1 Ų40.17%0.06825%0.247CC..Hα-helixtrans-67.2-38.5-179.8-66.7172.8000112.6Y870 H883 M884 N889 R890 T891 L930 T1012 M1016Y870-L887 HydrophobicContact CE1-CB 4.38Å; Y870-L887 WeakPolarHBondContact OH-CB 3.44Å; H883-L887 WeakPolarHBondContact O-CG 3.31Å; H883-L887 PolarHBondContact O-N 3.35Å; M884-L887 PolarHBondContact O-N 3.07Å; L887-N889 VanDerWaalsContact C-N 3.28Å; L887-N889 PolarHBondContact O-N 3.02Å; L887-R890 PolarHBondContact O-N 3.32Å; L887-T891 VanDerWaalsContact O-CB 3.28Å; L887-T891 WeakPolarHBondContact O-CB 3.42Å; L887-T891 PolarHBondContact O-N 3.23Å; L887-T891 PolarHBondContact O-OG1 3.34Å; L887-L930 HydrophobicContact CD2-CD1 4.31Å; L887-T1012 HydrophobicContact CD1-CG2 3.92Å; L887-T1012 HydrophobicContact CD2-CG2 3.73Å; L887-T1012 HydrophobicContact CG-CG2 4.4Å; L887-M1016 HydrophobicContact CD1-CE 3.58Å
888S89.5Confident77.2Confident1 Ų143.5 Ų43.51%0.00726%0.262CS..Hα-helixtrans-61.2-40.6174.974.20000111.5K867 M884 D885 T891 F892K867-S888 WeakPolarHBondContact CG-OG 3.49Å; M884-S888 WeakPolarHBondContact O-CB 3.29Å; M884-S888 PolarHBondContact O-N 3.32Å; M884-S888 PolarHBondContact O-OG 3.46Å; D885-S888 PolarHBondContact O-N 2.84Å; D885-S888 PolarHBondContact O-OG 2.83Å; S888-T891 PolarHBondContact O-N 3.48Å; S888-F892 WeakPolarHBondContact O-CB 3.27Å; S888-F892 PolarHBondContact O-N 2.95Å
889N88.5Confident76.9Confident47 Ų4752.8 Ų52.825%0.25129%0.29SS..Hα-helixtrans-66.1-46.5177.6-81.8-31.7000112.3R863 D885 T886 L887 T891 F892 T893R863-N889 PolarHBondContact NH1-OD1 3.13Å; R863-N889 PolarHBondContact NH2-O 2.62Å; D885-N889 WeakPolarHBondContact O-CB 3.41Å; D885-N889 VanDerWaalsContact O-CG 3.31Å; D885-N889 PolarHBondContact O-N 3.32Å; D885-N889 VanDerWaalsContact O-N 3.09Å; D885-N889 PolarHBondContact O-ND2 2.86Å; T886-N889 WeakPolarHBondContact O-CB 3.3Å; T886-N889 PolarHBondContact O-N 2.84Å; L887-N889 VanDerWaalsContact C-N 3.28Å; L887-N889 PolarHBondContact O-N 3.02Å; N889-T891 VanDerWaalsContact C-N 3.33Å; N889-F892 WeakPolarHBondContact O-CB 3.34Å; N889-F892 PolarHBondContact O-N 3.18Å; N889-T893 PolarHBondContact O-N 3.17Å; N889-T893 VanDerWaalsContact O-N 3.08Å; N889-T893 PolarHBondContact O-OG1 3.31Å
890R89.5Confident77.2Confident4 Ų453.1 Ų53.12%0.01528%0.278CS..Hα-helixtrans-64-41.1177.2-69.2170.3173.7-168.612.9111.4T886 L887 T893 L894 L930 H931 A935 E940T886-R890 WeakPolarHBondContact O-CG 3.19Å; T886-R890 PolarHBondContact O-N 3.34Å; L887-R890 PolarHBondContact O-N 3.32Å; R890-T893 PolarHBondContact O-N 3.32Å; R890-L894 PolarHBondContact O-N 3.36Å; R890-L930 HydrophobicContact CB-CD2 4.18Å; R890-L930 WeakPolarHBondContact CD-O 3.47Å; R890-H931 PolarHBondContact NH1-CD2 3.21Å; R890-H931 PolarHBondContact NH1-NE2 2.99Å; R890-A935 HydrophobicContact CB-CB 4.31Å; R890-A935 WeakPolarHBondContact CG-O 3.31Å; R890-E940 IonicContact CZ-OE1 3.42Å; R890-E940 IonicContact CZ-OE2 2.67Å; R890-E940 IonicContact NE-OE1 2.78Å; R890-E940 PolarHBondContact NE-OE1 3.11Å; R890-E940 IonicContact NE-OE2 3.12Å; R890-E940 IonicContact NH2-OE1 3.62Å; R890-E940 IonicContact NH2-OE2 3.58Å; R890-E940 PolarHBondContact NH2-OE2 3.22Å
891T91.3Very high78.1Confident0 Ų056.7 Ų56.70%030%0.295CS..Hα-helixtrans-62.1-44.7175.9-56.90000110.7F866 Y870 L887 S888 N889 T893 L894 L895 W911 F926F866-T891 HydrophobicContact CE1-CG2 3.83Å; F866-T891 HydrophobicContact CZ-CG2 3.55Å; Y870-T891 HydrophobicContact CE2-CG2 4.32Å; L887-T891 VanDerWaalsContact O-CB 3.28Å; L887-T891 WeakPolarHBondContact O-CB 3.42Å; L887-T891 PolarHBondContact O-N 3.23Å; L887-T891 PolarHBondContact O-OG1 3.34Å; S888-T891 PolarHBondContact O-N 3.48Å; N889-T891 VanDerWaalsContact C-N 3.33Å; T891-T893 PolarHBondContact O-N 3.19Å; T891-L894 WeakPolarHBondContact O-CB 3.49Å; T891-L894 PolarHBondContact O-N 3.02Å; T891-L894 VanDerWaalsContact O-N 3.15Å; T891-L895 HydrophobicContact CG2-CD1 3.87Å; T891-L895 HydrophobicContact CG2-CG 4.26Å; T891-L895 WeakPolarHBondContact O-CG 3.49Å; T891-L895 PolarHBondContact O-N 3.26Å; T891-W911 HydrophobicContact CG2-CD2 4.41Å; T891-W911 HydrophobicContact CG2-CG 4.21Å; T891-F926 HydrophobicContact CG2-CE2 4.35Å; T891-F926 HydrophobicContact CG2-CZ 3.81Å
892F90.3Very high79Confident3 Ų353.8 Ų53.81%0.01327%0.273CS..Hα-helixtrans-57.4-46.6175-173.6-87.5000112.3D862 R863 F866 S888 N889 L894 L895 A896 N901 V903D862-F892 VanDerWaalsContact C-CE2 3.45Å; R863-F892 VanDerWaalsContact CA-CE2 3.47Å; R863-F892 HydrophobicContact CB-CD1 3.98Å; R863-F892 HydrophobicContact CB-CD2 4.1Å; R863-F892 HydrophobicContact CB-CE1 3.86Å; R863-F892 HydrophobicContact CB-CE2 3.98Å; R863-F892 HydrophobicContact CB-CG 4.08Å; R863-F892 HydrophobicContact CB-CZ 3.85Å; R863-F892 HydrophobicContact CG-CB 4.28Å; R863-F892 HydrophobicContact CG-CD1 3.91Å; R863-F892 HydrophobicContact CG-CD2 4.26Å; R863-F892 HydrophobicContact CG-CE1 4.3Å; R863-F892 HydrophobicContact CG-CG 3.87Å; F866-F892 HydrophobicContact CB-CD2 3.61Å; F866-F892 HydrophobicContact CB-CE2 4.05Å; F866-F892 HydrophobicContact CD1-CB 3.98Å; F866-F892 AromaticContact CD1-CD2 3.98Å; F866-F892 HydrophobicContact CD1-CD2 3.98Å; F866-F892 HydrophobicContact CE1-CB 4.37Å; F866-F892 AromaticContact CG-CD2 3.79Å; F866-F892 HydrophobicContact CG-CD2 3.79Å; S888-F892 WeakPolarHBondContact O-CB 3.27Å; S888-F892 PolarHBondContact O-N 2.95Å; N889-F892 WeakPolarHBondContact O-CB 3.34Å; N889-F892 PolarHBondContact O-N 3.18Å; F892-L894 VanDerWaalsContact C-N 3.26Å; F892-L894 PolarHBondContact O-N 2.93Å; F892-L895 PolarHBondContact O-N 3.48Å; F892-A896 HydrophobicContact CE1-CB 4.19Å; F892-A896 HydrophobicContact CZ-CB 4.47Å; F892-A896 WeakPolarHBondContact O-CB 3.35Å; F892-A896 PolarHBondContact O-N 3.05Å; F892-N901 VanDerWaalsContact CZ-O 3.29Å; F892-N901 WeakPolarHBondContact CZ-O 3.16Å; F892-V903 HydrophobicContact CD2-CG2 3.54Å; F892-V903 HydrophobicContact CE2-CB 4.27Å; F892-V903 HydrophobicContact CE2-CG2 3.46Å; F892-V903 VanDerWaalsContact CE2-CG2 3.46Å; F892-V903 HydrophobicContact CG-CG2 4.32Å; F892-V903 HydrophobicContact CZ-CG2 4.16Å
893T88Confident79.8Confident33 Ų3349 Ų4920%0.20225%0.25CS..Hα-helixtrans-61.1-35.9177.1-53.60000112.3R863 N889 R890 T891 P934R863-T893 PolarHBondContact NH2-OG1 2.92Å; N889-T893 PolarHBondContact O-N 3.17Å; N889-T893 VanDerWaalsContact O-N 3.08Å; N889-T893 PolarHBondContact O-OG1 3.31Å; R890-T893 PolarHBondContact O-N 3.32Å; T891-T893 PolarHBondContact O-N 3.19Å; T893-P934 VanDerWaalsContact CG2-O 3.3Å; T893-P934 WeakPolarHBondContact CG2-O 3.47Å
894L87.4Confident80.4Confident30 Ų3047.5 Ų47.516%0.15725%0.245CC..Hα-helixtrans-68.8-40.6178-16692.7000112R890 T891 F892 F926 R929 L930 A935R890-L894 PolarHBondContact O-N 3.36Å; T891-L894 WeakPolarHBondContact O-CB 3.49Å; T891-L894 PolarHBondContact O-N 3.02Å; T891-L894 VanDerWaalsContact O-N 3.15Å; F892-L894 VanDerWaalsContact C-N 3.26Å; F892-L894 PolarHBondContact O-N 2.93Å; L894-F926 HydrophobicContact CD2-CD2 3.96Å; L894-F926 HydrophobicContact CD2-CE2 3.69Å; L894-R929 HydrophobicContact CD1-CB 3.93Å; L894-L930 HydrophobicContact CB-CD2 4.47Å; L894-L930 HydrophobicContact CD2-CD2 4.49Å; L894-A935 HydrophobicContact CD1-CB 4.2Å
895L86.2Confident80.9Confident27 Ų2746 Ų4614%0.14124%0.237CC..Hα-helixtrans-81.1-25.5-176.7-65.1177.7000113.5F866 T891 F892 P897 V903 D907 W911F866-L895 HydrophobicContact CE2-CD1 3.7Å; F866-L895 HydrophobicContact CZ-CD1 3.75Å; T891-L895 HydrophobicContact CG2-CD1 3.87Å; T891-L895 HydrophobicContact CG2-CG 4.26Å; T891-L895 WeakPolarHBondContact O-CG 3.49Å; T891-L895 PolarHBondContact O-N 3.26Å; F892-L895 PolarHBondContact O-N 3.48Å; L895-P897 WeakPolarHBondContact O-CD 3.37Å; L895-V903 HydrophobicContact CB-CG1 4.49Å; L895-V903 HydrophobicContact CB-CG2 4.05Å; L895-V903 HydrophobicContact CD1-CG1 4.42Å; L895-D907 HydrophobicContact CB-CB 4.36Å; L895-D907 HydrophobicContact CD2-CB 4.44Å; L895-W911 HydrophobicContact CD1-CB 3.79Å; L895-W911 HydrophobicContact CD1-CG 4.03Å; L895-W911 HydrophobicContact CD2-CB 4.11Å
896A78.3Confident81.3Confident12 Ų1247.3 Ų47.310%0.09924%0.241CC..  trans-113.470.6177.600000111.2F892 D898 L902 V903F892-A896 HydrophobicContact CE1-CB 4.19Å; F892-A896 HydrophobicContact CZ-CB 4.47Å; F892-A896 WeakPolarHBondContact O-CB 3.35Å; F892-A896 PolarHBondContact O-N 3.05Å; A896-D898 PolarHBondContact O-N 2.93Å; A896-L902 WeakPolarHBondContact CB-O 3.47Å; A896-V903 HydrophobicContact CB-CG2 4.07Å
897P59Low81.6Confident104 Ų10447.9 Ų47.968%0.67524%0.242SC*.  trans-72.4-16.117931-35.8000113.3L895L895-P897 WeakPolarHBondContact O-CD 3.37Å
898D55.6Low81.8Confident122 Ų12247.3 Ų47.365%0.65224%0.239SC*.SBendtrans-80158.8-179.2-67.2-27000112.5A896 D900A896-D898 PolarHBondContact O-N 2.93Å; D898-D900 PolarHBondContact O-N 2.88Å
899R51.3Low82.1Confident246 Ų24647.2 Ų47.293%0.92824%0.239SC*.THydrogen-bonded Turntrans-62.1-5.5-175.9-67.1-172.6177.7-166-0.1115
900D59.8Low82.3Confident62 Ų6246.9 Ų46.933%0.33224%0.24SC..THydrogen-bonded Turntrans-88-12.3-169.8-65.7-0.4000113.9R860 D898 L902R860-D900 IonicContact NH1-OD2 3.82Å; D898-D900 PolarHBondContact O-N 2.88Å; D900-L902 VanDerWaalsContact C-N 3.31Å; D900-L902 WeakPolarHBondContact O-CG 3.3Å; D900-L902 PolarHBondContact O-N 3.1Å
901N77.5Confident82.5Confident112 Ų11246.8 Ų46.860%0.59924%0.239SC*.  trans49.846.2-178.5-71.9-50.5000113.6F892F892-N901 VanDerWaalsContact CZ-O 3.29Å; F892-N901 WeakPolarHBondContact CZ-O 3.16Å
902L84Confident82.6Confident28 Ų2846.8 Ų46.815%0.14724%0.239CC..  trans-140.9142.4-178.9-72.8174.4000110.7A843 R860 L861 D862 A896 D900A843-L902 HydrophobicContact CB-CD1 4.39Å; R860-L902 HydrophobicContact CB-CB 4.11Å; R860-L902 HydrophobicContact CB-CD1 4.29Å; R860-L902 HydrophobicContact CB-CD2 4.38Å; R860-L902 HydrophobicContact CB-CG 4.5Å; L861-L902 WeakPolarHBondContact O-CA 3.31Å; D862-L902 HydrophobicContact CB-CD2 4.18Å; A896-L902 WeakPolarHBondContact CB-O 3.47Å; D900-L902 VanDerWaalsContact C-N 3.31Å; D900-L902 WeakPolarHBondContact O-CG 3.3Å; D900-L902 PolarHBondContact O-N 3.1Å
903V87.1Confident82.7Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-105.6131.21791720000110.1R860 L861 F866 F892 L895 A896 D907 F908R860-V903 VanDerWaalsContact CA-O 3.31Å; R860-V903 WeakPolarHBondContact CA-O 3.49Å; L861-V903 PolarHBondContact N-O 3.35Å; L861-V903 PolarHBondContact O-N 3.28Å; F866-V903 HydrophobicContact CD2-CG1 4.19Å; F866-V903 HydrophobicContact CD2-CG2 4.42Å; F866-V903 HydrophobicContact CE2-CG1 4.42Å; F892-V903 HydrophobicContact CD2-CG2 3.54Å; F892-V903 HydrophobicContact CE2-CB 4.27Å; F892-V903 HydrophobicContact CE2-CG2 3.46Å; F892-V903 VanDerWaalsContact CE2-CG2 3.46Å; F892-V903 HydrophobicContact CG-CG2 4.32Å; F892-V903 HydrophobicContact CZ-CG2 4.16Å; L895-V903 HydrophobicContact CB-CG1 4.49Å; L895-V903 HydrophobicContact CB-CG2 4.05Å; L895-V903 HydrophobicContact CD1-CG1 4.42Å; A896-V903 HydrophobicContact CB-CG2 4.07Å; V903-D907 HydrophobicContact CG1-CB 4.03Å; V903-F908 HydrophobicContact CG1-CB 4.21Å
904T88.9Confident82.9Confident24 Ų2446.8 Ų46.815%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-84.5165.9176.374.80000111.9R860 K906 D907 F908R860-T904 HydrophobicContact CG-CG2 4.49Å; T904-K906 PolarHBondContact O-N 3.21Å; T904-K906 PolarHBondContact OG1-N 2.85Å; T904-D907 WeakPolarHBondContact CB-OD2 3.5Å; T904-D907 PolarHBondContact N-OD2 3.48Å; T904-D907 VanDerWaalsContact N-OD2 3.1Å; T904-D907 PolarHBondContact O-N 2.95Å; T904-D907 PolarHBondContact OG1-N 3.18Å; T904-D907 PolarHBondContact OG1-OD2 3.05Å; T904-F908 WeakPolarHBondContact O-CB 3.46Å; T904-F908 PolarHBondContact O-N 3.45Å
905F91.6Very high83.1Confident2 Ų245.7 Ų45.71%0.00923%0.233CC..Hα-helixtrans-62.8-33.1174.5179.8-108.3000112.4T799 L800 V803 L814 L817 Y818 F821 F908 A909T799-F905 HydrophobicContact CG2-CD1 3.84Å; L800-F905 HydrophobicContact CD2-CE1 4.12Å; L800-F905 HydrophobicContact CD2-CZ 4.44Å; V803-F905 HydrophobicContact CG1-CE1 4.47Å; V803-F905 HydrophobicContact CG2-CD1 4.16Å; V803-F905 HydrophobicContact CG2-CE1 4.5Å; L814-F905 HydrophobicContact CD1-CE1 4.09Å; L814-F905 HydrophobicContact CD1-CZ 3.83Å; L814-F905 HydrophobicContact CG-CE1 4.39Å; L814-F905 HydrophobicContact CG-CZ 4.27Å; L817-F905 HydrophobicContact CB-CE2 4.28Å; L817-F905 HydrophobicContact CB-CZ 4.49Å; Y818-F905 AromaticContact CD2-CD1 3.74Å; Y818-F905 HydrophobicContact CD2-CD1 3.74Å; Y818-F905 HydrophobicContact CD2-CD2 4.03Å; Y818-F905 AromaticContact CD2-CE1 3.86Å; Y818-F905 HydrophobicContact CD2-CE1 3.86Å; Y818-F905 HydrophobicContact CD2-CE2 4.16Å; Y818-F905 AromaticContact CD2-CG 3.82Å; Y818-F905 HydrophobicContact CD2-CG 3.82Å; Y818-F905 HydrophobicContact CD2-CZ 4.06Å; Y818-F905 HydrophobicContact CE2-CD1 4.41Å; Y818-F905 HydrophobicContact CE2-CG 4.42Å; Y818-F905 HydrophobicContact CG-CE2 4.47Å; Y818-F905 HydrophobicContact CG-CZ 4.39Å; F821-F905 HydrophobicContact CB-CD2 3.93Å; F821-F905 HydrophobicContact CB-CE2 4.3Å; F821-F905 HydrophobicContact CD1-CB 4.26Å; F821-F905 HydrophobicContact CD1-CD2 4.13Å; F821-F905 HydrophobicContact CD2-CD2 4.05Å; F821-F905 HydrophobicContact CE1-CB 4.06Å; F821-F905 AromaticContact CG-CD2 3.79Å; F821-F905 HydrophobicContact CG-CD2 3.79Å; F821-F905 HydrophobicContact CZ-CB 4.18Å; F905-F908 HydrophobicContact CD2-CD1 4.34Å; F905-F908 HydrophobicContact CE2-CD1 4.38Å; F905-F908 PolarHBondContact O-N 3.36Å; F905-A909 HydrophobicContact CE1-CB 4.43Å; F905-A909 HydrophobicContact CZ-CB 4.36Å; F905-A909 VanDerWaalsContact O-CB 3.29Å; F905-A909 WeakPolarHBondContact O-CB 3.45Å; F905-A909 PolarHBondContact O-N 3.49Å
906K90.6Very high83.3Confident85 Ų8545.6 Ų45.637%0.3723%0.232SC..Hα-helixtrans-61.1-52.7176.3-178.8175.5179.8163.30110.5V803 D806 T904 F908 A909 S910V803-K906 HydrophobicContact CG2-CB 3.95Å; V803-K906 HydrophobicContact CG2-CG 4.24Å; D806-K906 WeakPolarHBondContact OD2-CE 3.02Å; D806-K906 IonicContact OD2-NZ 2.71Å; D806-K906 PolarHBondContact OD2-NZ 3.44Å; T904-K906 PolarHBondContact O-N 3.21Å; T904-K906 PolarHBondContact OG1-N 2.85Å; K906-F908 VanDerWaalsContact C-N 3.28Å; K906-F908 PolarHBondContact O-N 3.48Å; K906-A909 PolarHBondContact O-N 2.91Å; K906-S910 PolarHBondContact O-N 3.34Å; K906-S910 PolarHBondContact O-OG 3.46Å
907D90.8Very high83.8Confident51 Ų5148 Ų4827%0.27325%0.246SC..Hα-helixtrans-60.4-41.3-179.6-49.7-44.2000111.3L895 V903 T904 W911L895-D907 HydrophobicContact CB-CB 4.36Å; L895-D907 HydrophobicContact CD2-CB 4.44Å; V903-D907 HydrophobicContact CG1-CB 4.03Å; T904-D907 WeakPolarHBondContact CB-OD2 3.5Å; T904-D907 PolarHBondContact N-OD2 3.48Å; T904-D907 VanDerWaalsContact N-OD2 3.1Å; T904-D907 PolarHBondContact O-N 2.95Å; T904-D907 PolarHBondContact OG1-N 3.18Å; T904-D907 PolarHBondContact OG1-OD2 3.05Å; D907-W911 WeakPolarHBondContact O-CB 3.26Å; D907-W911 PolarHBondContact O-N 3.4Å
908F93.6Very high85.2Confident0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-64.3-43.8176.9178.3-96.7000112.8L817 F821 F866 L869 L873 V903 T904 F905 K906 W911 L912L817-F908 HydrophobicContact CD2-CE1 4.42Å; F821-F908 HydrophobicContact CD2-CB 3.93Å; F821-F908 AromaticContact CD2-CD1 3.65Å; F821-F908 HydrophobicContact CD2-CD1 3.65Å; F821-F908 HydrophobicContact CD2-CD2 4.13Å; F821-F908 HydrophobicContact CD2-CE1 4.15Å; F821-F908 AromaticContact CD2-CG 3.63Å; F821-F908 HydrophobicContact CD2-CG 3.63Å; F821-F908 HydrophobicContact CE2-CB 3.68Å; F821-F908 HydrophobicContact CE2-CD1 4.31Å; F821-F908 HydrophobicContact CE2-CD2 4.34Å; F821-F908 AromaticContact CE2-CG 3.87Å; F821-F908 HydrophobicContact CE2-CG 3.87Å; F866-F908 HydrophobicContact CD2-CD2 4.07Å; F866-F908 AromaticContact CE2-CD2 3.85Å; F866-F908 HydrophobicContact CE2-CD2 3.85Å; F866-F908 HydrophobicContact CE2-CE2 4.4Å; L869-F908 HydrophobicContact CB-CE2 3.89Å; L869-F908 HydrophobicContact CB-CZ 4.11Å; L869-F908 HydrophobicContact CD1-CE2 3.82Å; L869-F908 HydrophobicContact CD1-CZ 3.76Å; L873-F908 HydrophobicContact CD1-CE1 4.43Å; L873-F908 HydrophobicContact CD1-CZ 3.69Å; V903-F908 HydrophobicContact CG1-CB 4.21Å; T904-F908 WeakPolarHBondContact O-CB 3.46Å; T904-F908 PolarHBondContact O-N 3.45Å; F905-F908 HydrophobicContact CD2-CD1 4.34Å; F905-F908 HydrophobicContact CE2-CD1 4.38Å; F905-F908 PolarHBondContact O-N 3.36Å; K906-F908 VanDerWaalsContact C-N 3.28Å; K906-F908 PolarHBondContact O-N 3.48Å; F908-W911 AromaticContact CD2-CE3 3.95Å; F908-W911 HydrophobicContact CD2-CE3 3.95Å; F908-W911 HydrophobicContact CD2-CZ3 4.1Å; F908-W911 AromaticContact CE2-CE3 3.99Å; F908-W911 HydrophobicContact CE2-CE3 3.99Å; F908-W911 AromaticContact CE2-CZ3 3.66Å; F908-W911 HydrophobicContact CE2-CZ3 3.66Å; F908-W911 HydrophobicContact CZ-CZ3 4.29Å; F908-W911 PolarHBondContact O-N 3Å; F908-L912 HydrophobicContact CD1-CD1 4.15Å; F908-L912 HydrophobicContact CE1-CD1 3.48Å; F908-L912 VanDerWaalsContact CE1-CD1 3.48Å; F908-L912 HydrophobicContact CE2-CD1 4.43Å; F908-L912 HydrophobicContact CZ-CD1 3.66Å; F908-L912 PolarHBondContact O-N 2.83Å; F908-L912 VanDerWaalsContact O-N 3.13Å
909A94.8Very high86.7Confident0 Ų046.8 Ų46.80%023%0.228CC..Hα-helixtrans-66.2-45.3178.300000111.4V803 V807 L814 F905 K906 W911 L912 D913V803-A909 HydrophobicContact CG1-CB 3.8Å; V807-A909 HydrophobicContact CG1-CB 4.3Å; L814-A909 HydrophobicContact CD1-CB 3.85Å; F905-A909 HydrophobicContact CE1-CB 4.43Å; F905-A909 HydrophobicContact CZ-CB 4.36Å; F905-A909 VanDerWaalsContact O-CB 3.29Å; F905-A909 WeakPolarHBondContact O-CB 3.45Å; F905-A909 PolarHBondContact O-N 3.49Å; K906-A909 PolarHBondContact O-N 2.91Å; A909-W911 VanDerWaalsContact C-N 3.3Å; A909-W911 PolarHBondContact O-N 3.18Å; A909-L912 PolarHBondContact O-N 3.22Å; A909-D913 WeakPolarHBondContact O-CB 3.39Å; A909-D913 PolarHBondContact O-N 3.11Å
910S92.5Very high88.4Confident39 Ų3935.6 Ų35.627%0.27319%0.187SC..Hα-helixtrans-62.3-36.2176.5-61.40000112.5K906 D913 T914K906-S910 PolarHBondContact O-N 3.34Å; K906-S910 PolarHBondContact O-OG 3.46Å; S910-D913 PolarHBondContact O-N 3.46Å; S910-T914 PolarHBondContact O-N 3.31Å; S910-T914 PolarHBondContact O-OG1 3.34Å
911W93.2Very high89.7Confident3 Ų334.3 Ų34.31%0.01118%0.18CC..Hα-helixtrans-62.1-47.3172.7164.862.2000112.2F866 Y870 T891 L895 D907 F908 A909 D913 T914 L915 F926F866-W911 HydrophobicContact CE2-CD2 4.47Å; F866-W911 HydrophobicContact CE2-CE3 4.05Å; F866-W911 HydrophobicContact CE2-CZ3 4.36Å; F866-W911 HydrophobicContact CZ-CD2 4.14Å; F866-W911 HydrophobicContact CZ-CE3 4.07Å; F866-W911 HydrophobicContact CZ-CZ3 4.32Å; Y870-W911 AromaticContact CD2-CH2 3.66Å; Y870-W911 HydrophobicContact CD2-CH2 3.66Å; Y870-W911 AromaticContact CD2-CZ2 3.26Å; Y870-W911 HydrophobicContact CD2-CZ2 3.26Å; Y870-W911 HydrophobicContact CE2-CH2 4.26Å; Y870-W911 AromaticContact CE2-CZ2 3.41Å; Y870-W911 HydrophobicContact CE2-CZ2 3.41Å; Y870-W911 VanDerWaalsContact CE2-CZ2 3.41Å; Y870-W911 HydrophobicContact CG-CH2 4.22Å; Y870-W911 HydrophobicContact CG-CZ2 4.17Å; T891-W911 HydrophobicContact CG2-CD2 4.41Å; T891-W911 HydrophobicContact CG2-CG 4.21Å; L895-W911 HydrophobicContact CD1-CB 3.79Å; L895-W911 HydrophobicContact CD1-CG 4.03Å; L895-W911 HydrophobicContact CD2-CB 4.11Å; D907-W911 WeakPolarHBondContact O-CB 3.26Å; D907-W911 PolarHBondContact O-N 3.4Å; F908-W911 AromaticContact CD2-CE3 3.95Å; F908-W911 HydrophobicContact CD2-CE3 3.95Å; F908-W911 HydrophobicContact CD2-CZ3 4.1Å; F908-W911 AromaticContact CE2-CE3 3.99Å; F908-W911 HydrophobicContact CE2-CE3 3.99Å; F908-W911 AromaticContact CE2-CZ3 3.66Å; F908-W911 HydrophobicContact CE2-CZ3 3.66Å; F908-W911 HydrophobicContact CZ-CZ3 4.29Å; F908-W911 PolarHBondContact O-N 3Å; A909-W911 VanDerWaalsContact C-N 3.3Å; A909-W911 PolarHBondContact O-N 3.18Å; W911-D913 VanDerWaalsContact C-N 3.35Å; W911-T914 WeakPolarHBondContact O-CB 3.47Å; W911-T914 PolarHBondContact O-N 2.7Å; W911-L915 HydrophobicContact CD2-CD1 4.42Å; W911-L915 VanDerWaalsContact CE2-CD1 3.48Å; W911-L915 HydrophobicContact CH2-CD1 4.38Å; W911-L915 HydrophobicContact CZ2-CD1 3.46Å; W911-L915 VanDerWaalsContact CZ2-CD1 3.46Å; W911-L915 WeakPolarHBondContact O-CG 3.3Å; W911-L915 PolarHBondContact O-N 3.3Å; W911-F926 AromaticContact CD1-CE2 3.87Å; W911-F926 AromaticContact CD1-CZ 3.48Å; W911-F926 VanDerWaalsContact CD1-CZ 3.48Å; W911-F926 AromaticContact NE1-CE1 3.94Å; W911-F926 AromaticContact NE1-CZ 3.56Å
912L94.2Very high90.1Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-66.4-37.8177.3-78.4171.4000112.4I809 L817 L873 F908 A909 T914 L915 Y916I809-L912 HydrophobicContact CD1-CB 4.18Å; L817-L912 HydrophobicContact CD1-CD1 3.83Å; L817-L912 HydrophobicContact CD2-CD1 3.56Å; L817-L912 HydrophobicContact CG-CD1 4.32Å; L873-L912 HydrophobicContact CB-CD2 3.9Å; L873-L912 HydrophobicContact CD1-CD1 4.07Å; F908-L912 HydrophobicContact CD1-CD1 4.15Å; F908-L912 HydrophobicContact CE1-CD1 3.48Å; F908-L912 VanDerWaalsContact CE1-CD1 3.48Å; F908-L912 HydrophobicContact CE2-CD1 4.43Å; F908-L912 HydrophobicContact CZ-CD1 3.66Å; F908-L912 PolarHBondContact O-N 2.83Å; F908-L912 VanDerWaalsContact O-N 3.13Å; A909-L912 PolarHBondContact O-N 3.22Å; L912-T914 VanDerWaalsContact C-N 3.29Å; L912-T914 PolarHBondContact O-N 3.03Å; L912-L915 PolarHBondContact O-N 3.36Å; L912-Y916 HydrophobicContact CD2-CD2 4.25Å; L912-Y916 HydrophobicContact CD2-CE2 3.94Å; L912-Y916 WeakPolarHBondContact O-CD2 3.27Å; L912-Y916 PolarHBondContact O-N 3.23Å
913D93.6Very high90.4Very high7 Ų730.6 Ų30.64%0.03716%0.161CC..Hα-helixtrans-59-43.8176.1-163.757.2000111.1V807 S808 I809 A909 S910 W911 L915 Y916 C917 E918V807-D913 WeakPolarHBondContact CA-OD2 3.34Å; V807-D913 HydrophobicContact CB-CB 4.07Å; V807-D913 HydrophobicContact CG1-CB 4.07Å; S808-D913 WeakPolarHBondContact CA-OD1 3.48Å; S808-D913 WeakPolarHBondContact CB-OD1 3.46Å; S808-D913 PolarHBondContact N-OD1 3.24Å; S808-D913 PolarHBondContact N-OD2 2.64Å; I809-D913 HydrophobicContact CD1-CB 4.16Å; I809-D913 HydrophobicContact CG1-CB 4.03Å; I809-D913 VanDerWaalsContact CG1-OD1 3.27Å; I809-D913 WeakPolarHBondContact CG1-OD1 3.22Å; I809-D913 PolarHBondContact N-OD1 2.9Å; A909-D913 WeakPolarHBondContact O-CB 3.39Å; A909-D913 PolarHBondContact O-N 3.11Å; S910-D913 PolarHBondContact O-N 3.46Å; W911-D913 VanDerWaalsContact C-N 3.35Å; D913-L915 PolarHBondContact O-N 3.15Å; D913-Y916 PolarHBondContact O-N 3.2Å; D913-C917 WeakPolarHBondContact O-CA 3.42Å; D913-C917 WeakPolarHBondContact O-CB 3.42Å; D913-C917 PolarHBondContact O-N 2.64Å; D913-C917 WeakPolarHBondContact OD1-CB 3.46Å; D913-E918 PolarHBondContact O-N 2.88Å
914T91.3Very high90.5Very high29 Ų2930.6 Ų30.618%0.17816%0.161CC..Hα-helixtrans-57.1-36.4173.7-58.60000112.7S910 W911 L912 V922 K923 F926S910-T914 PolarHBondContact O-N 3.31Å; S910-T914 PolarHBondContact O-OG1 3.34Å; W911-T914 WeakPolarHBondContact O-CB 3.47Å; W911-T914 PolarHBondContact O-N 2.7Å; L912-T914 VanDerWaalsContact C-N 3.29Å; L912-T914 PolarHBondContact O-N 3.03Å; T914-V922 HydrophobicContact CG2-CG1 4Å; T914-K923 VanDerWaalsContact O-CG 3.26Å; T914-K923 WeakPolarHBondContact O-CG 3.31Å; T914-F926 HydrophobicContact CG2-CB 3.93Å; T914-F926 HydrophobicContact CG2-CG 4.27Å
915L90.7Very high90.5Very high6 Ų633 Ų333%0.03117%0.167CC..Hα-helixtrans-82.2-32.6-176.9-66.9-175.3000113.6P875 W876 W911 L912 D913 K923 F926P875-L915 HydrophobicContact CG-CB 4.15Å; W876-L915 HydrophobicContact CH2-CD2 3.41Å; W876-L915 VanDerWaalsContact CH2-CD2 3.41Å; W876-L915 HydrophobicContact CZ2-CD2 3.76Å; W876-L915 HydrophobicContact CZ3-CD2 4.05Å; W911-L915 HydrophobicContact CD2-CD1 4.42Å; W911-L915 VanDerWaalsContact CE2-CD1 3.48Å; W911-L915 HydrophobicContact CH2-CD1 4.38Å; W911-L915 HydrophobicContact CZ2-CD1 3.46Å; W911-L915 VanDerWaalsContact CZ2-CD1 3.46Å; W911-L915 WeakPolarHBondContact O-CG 3.3Å; W911-L915 PolarHBondContact O-N 3.3Å; L912-L915 PolarHBondContact O-N 3.36Å; D913-L915 PolarHBondContact O-N 3.15Å; L915-K923 WeakPolarHBondContact O-CE 3.13Å; L915-F926 HydrophobicContact CD2-CD1 4.1Å; L915-F926 HydrophobicContact CD2-CE1 4.1Å
916Y91.4Very high90.4Very high26 Ų2633.8 Ų33.810%0.10217%0.17CC..Hα-helixtrans-107.1-33.3-171.5-78-93.4000114.3L873 P875 L912 D913 A1098 L1100L873-Y916 VanDerWaalsContact O-CE2 3.27Å; L873-Y916 WeakPolarHBondContact O-CE2 3.27Å; L873-Y916 PolarHBondContact O-OH 3.39Å; P875-Y916 HydrophobicContact CB-CE1 4.13Å; P875-Y916 HydrophobicContact CB-CE2 4.23Å; P875-Y916 HydrophobicContact CG-CE2 4.26Å; L912-Y916 HydrophobicContact CD2-CD2 4.25Å; L912-Y916 HydrophobicContact CD2-CE2 3.94Å; L912-Y916 WeakPolarHBondContact O-CD2 3.27Å; L912-Y916 PolarHBondContact O-N 3.23Å; D913-Y916 PolarHBondContact O-N 3.2Å; Y916-A1098 HydrophobicContact CD1-CB 3.83Å; Y916-A1098 HydrophobicContact CE1-CB 3.61Å; Y916-L1100 HydrophobicContact CD1-CB 3.69Å; Y916-L1100 HydrophobicContact CD1-CD1 4.2Å; Y916-L1100 HydrophobicContact CD1-CG 4.42Å; Y916-L1100 HydrophobicContact CD2-CD1 4.02Å; Y916-L1100 HydrophobicContact CE1-CB 3.93Å; Y916-L1100 HydrophobicContact CE1-CD1 4.04Å; Y916-L1100 HydrophobicContact CE2-CD1 3.88Å; Y916-L1100 HydrophobicContact CG-CB 4.18Å; Y916-L1100 HydrophobicContact CG-CD1 4.18Å; Y916-L1100 HydrophobicContact CG-CD2 4.5Å
917C89.1Confident90.4Very high61 Ų6129.8 Ų29.841%0.41215%0.153SC..THydrogen-bonded Turntrans-111.7-28.2-168.3-62.90000113.7D913D913-C917 WeakPolarHBondContact O-CA 3.42Å; D913-C917 WeakPolarHBondContact O-CB 3.42Å; D913-C917 PolarHBondContact O-N 2.64Å; D913-C917 WeakPolarHBondContact OD1-CB 3.46Å
918E88.5Confident90.4Very high62 Ų6227.4 Ų27.429%0.2914%0.14SC..SBendtrans-79.2161.6-176.6-68.6-64.514600114.3D913 V922 K923D913-E918 PolarHBondContact O-N 2.88Å; E918-V922 HydrophobicContact CB-CB 3.91Å; E918-V922 HydrophobicContact CB-CG1 4.1Å; E918-V922 HydrophobicContact CB-CG2 4.35Å; E918-V922 HydrophobicContact CG-CB 4.48Å; E918-V922 HydrophobicContact CG-CG1 4.19Å; E918-K923 WeakPolarHBondContact O-CE 3.43Å; E918-K923 PolarHBondContact O-NZ 3Å; E918-K923 VanDerWaalsContact O-NZ 3.15Å
919E86.6Confident90.2Very high140 Ų14032.6 Ų32.665%0.65416%0.16SC*.  trans-70.4162.6179.5-63-175.3170.600112.9N921 V922 K923E919-N921 PolarHBondContact O-N 3.02Å; E919-N921 VanDerWaalsContact O-N 3.17Å; E919-V922 PolarHBondContact O-N 2.76Å; E919-K923 PolarHBondContact O-N 2.85Å
920L86.6Confident90Very high10 Ų1032.6 Ų32.65%0.05216%0.16CC..Hα-helixtrans-48.6-45179.5176.859.7000112.7V922 K923 I924 L1085 V1091 F1094 E1095L920-V922 VanDerWaalsContact C-N 3.33Å; L920-V922 PolarHBondContact O-N 3.44Å; L920-K923 PolarHBondContact O-N 3.44Å; L920-I924 HydrophobicContact CD1-CD1 4.19Å; L920-I924 HydrophobicContact CD1-CG1 3.83Å; L920-I924 HydrophobicContact CG-CG1 4.3Å; L920-I924 WeakPolarHBondContact O-CG1 3.36Å; L920-I924 PolarHBondContact O-N 2.79Å; L920-L1085 HydrophobicContact CD2-CD2 3.4Å; L920-L1085 HydrophobicContact CG-CD2 4.4Å; L920-V1091 HydrophobicContact CD2-CB 4.31Å; L920-V1091 HydrophobicContact CD2-CG1 4.07Å; L920-V1091 HydrophobicContact CD2-CG2 4.03Å; L920-F1094 HydrophobicContact CD1-CB 3.2Å; L920-F1094 HydrophobicContact CD1-CD2 3.98Å; L920-F1094 HydrophobicContact CD1-CG 3.76Å; L920-E1095 HydrophobicContact CB-CG 4.27Å
921N86.6Confident89.9Confident35 Ų3530.8 Ų30.819%0.18715%0.147CC..Hα-helixtrans-57.2-46.2-178.8-63.8-23.3000111.3E919 I924 R925 Y1077 L1081E919-N921 PolarHBondContact O-N 3.02Å; E919-N921 VanDerWaalsContact O-N 3.17Å; N921-I924 PolarHBondContact O-N 3.28Å; N921-R925 VanDerWaalsContact O-CB 3.22Å; N921-R925 WeakPolarHBondContact O-CB 3.34Å; N921-R925 PolarHBondContact O-N 3.29Å; N921-Y1077 PolarHBondContact O-OH 3.22Å; N921-L1081 HydrophobicContact CB-CD2 4.43Å; N921-L1081 WeakPolarHBondContact OD1-CD1 3.45Å; N921-L1081 WeakPolarHBondContact OD1-CD2 3.43Å
922V87.3Confident89.6Confident43 Ų4330.9 Ų30.926%0.26115%0.148SC..Hα-helixtrans-68.8-39.7-178.5-170.80000110.9T914 E918 E919 L920 R925 F926T914-V922 HydrophobicContact CG2-CG1 4Å; E918-V922 HydrophobicContact CB-CB 3.91Å; E918-V922 HydrophobicContact CB-CG1 4.1Å; E918-V922 HydrophobicContact CB-CG2 4.35Å; E918-V922 HydrophobicContact CG-CB 4.48Å; E918-V922 HydrophobicContact CG-CG1 4.19Å; E919-V922 PolarHBondContact O-N 2.76Å; L920-V922 VanDerWaalsContact C-N 3.33Å; L920-V922 PolarHBondContact O-N 3.44Å; V922-R925 WeakPolarHBondContact O-CB 3.48Å; V922-R925 PolarHBondContact O-N 3Å; V922-F926 PolarHBondContact O-N 3.05Å
923K89Confident89Confident20 Ų2034.6 Ų34.69%0.08717%0.172CC..Hα-helixtrans-60.6-47.7174.9-71.1166.1173.41640112.3T914 L915 E918 E919 L920 R925 F926 L927 F1094T914-K923 VanDerWaalsContact O-CG 3.26Å; T914-K923 WeakPolarHBondContact O-CG 3.31Å; L915-K923 WeakPolarHBondContact O-CE 3.13Å; E918-K923 WeakPolarHBondContact O-CE 3.43Å; E918-K923 PolarHBondContact O-NZ 3Å; E918-K923 VanDerWaalsContact O-NZ 3.15Å; E919-K923 PolarHBondContact O-N 2.85Å; L920-K923 PolarHBondContact O-N 3.44Å; K923-R925 VanDerWaalsContact C-N 3.35Å; K923-F926 PolarHBondContact O-N 3.47Å; K923-L927 PolarHBondContact O-N 3.46Å; K923-F1094 PolarHBondContact NZ-O 3.23Å
924I89.2Confident88.2Confident0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-66.9-38176.7-62-52.5000110.8L920 N921 F926 L927 Y928 Y1077 L1081 L1084 F1094L920-I924 HydrophobicContact CD1-CD1 4.19Å; L920-I924 HydrophobicContact CD1-CG1 3.83Å; L920-I924 HydrophobicContact CG-CG1 4.3Å; L920-I924 WeakPolarHBondContact O-CG1 3.36Å; L920-I924 PolarHBondContact O-N 2.79Å; N921-I924 PolarHBondContact O-N 3.28Å; I924-F926 VanDerWaalsContact C-N 3.32Å; I924-F926 PolarHBondContact O-N 2.7Å; I924-L927 HydrophobicContact CD1-CD1 4.22Å; I924-L927 PolarHBondContact O-N 3.43Å; I924-Y928 WeakPolarHBondContact O-CB 3.4Å; I924-Y928 PolarHBondContact O-N 2.71Å; I924-Y1077 HydrophobicContact CG2-CE2 4.13Å; I924-L1081 HydrophobicContact CB-CD1 4.13Å; I924-L1081 HydrophobicContact CG1-CD1 4.29Å; I924-L1081 HydrophobicContact CG2-CD1 4.15Å; I924-L1084 HydrophobicContact CD1-CD1 3.94Å; I924-L1084 HydrophobicContact CG1-CD1 4.15Å; I924-L1084 HydrophobicContact CG2-CD1 3.66Å; I924-F1094 HydrophobicContact CD1-CD1 4.34Å; I924-F1094 HydrophobicContact CD1-CD2 3.84Å; I924-F1094 HydrophobicContact CD1-CE1 4.16Å; I924-F1094 HydrophobicContact CD1-CE2 3.62Å; I924-F1094 HydrophobicContact CD1-CG 4.21Å; I924-F1094 HydrophobicContact CD1-CZ 3.8Å
925R89.6Confident87.7Confident75 Ų7537.3 Ų37.328%0.28319%0.191SC..Hα-helixtrans-60.6-41.6174.8-170.3-179.2-76.3163.5-4.4111.5N921 V922 K923 Y928 R929 D993 L998 Y1077N921-R925 VanDerWaalsContact O-CB 3.22Å; N921-R925 WeakPolarHBondContact O-CB 3.34Å; N921-R925 PolarHBondContact O-N 3.29Å; V922-R925 WeakPolarHBondContact O-CB 3.48Å; V922-R925 PolarHBondContact O-N 3Å; K923-R925 VanDerWaalsContact C-N 3.35Å; R925-Y928 WeakPolarHBondContact O-CB 3.48Å; R925-Y928 PolarHBondContact O-N 3.43Å; R925-R929 WeakPolarHBondContact O-CG 3.48Å; R925-R929 PolarHBondContact O-N 3.43Å; R925-D993 IonicContact NH1-OD2 3.6Å; R925-L998 HydrophobicContact CG-CD1 3.83Å; R925-Y1077 VanDerWaalsContact CA-CE2 3.4Å; R925-Y1077 HydrophobicContact CB-CD2 4.47Å; R925-Y1077 HydrophobicContact CB-CE2 3.66Å; R925-Y1077 HydrophobicContact CG-CE2 4.15Å
926F90.4Very high87.1Confident17 Ų1738.3 Ų38.38%0.07520%0.196CC..Hα-helixtrans-62.9-48.9173.8173-103.7000111.6T891 L894 W911 T914 L915 V922 K923 I924 Y928 R929 L930T891-F926 HydrophobicContact CG2-CE2 4.35Å; T891-F926 HydrophobicContact CG2-CZ 3.81Å; L894-F926 HydrophobicContact CD2-CD2 3.96Å; L894-F926 HydrophobicContact CD2-CE2 3.69Å; W911-F926 AromaticContact CD1-CE2 3.87Å; W911-F926 AromaticContact CD1-CZ 3.48Å; W911-F926 VanDerWaalsContact CD1-CZ 3.48Å; W911-F926 AromaticContact NE1-CE1 3.94Å; W911-F926 AromaticContact NE1-CZ 3.56Å; T914-F926 HydrophobicContact CG2-CB 3.93Å; T914-F926 HydrophobicContact CG2-CG 4.27Å; L915-F926 HydrophobicContact CD2-CD1 4.1Å; L915-F926 HydrophobicContact CD2-CE1 4.1Å; V922-F926 PolarHBondContact O-N 3.05Å; K923-F926 PolarHBondContact O-N 3.47Å; I924-F926 VanDerWaalsContact C-N 3.32Å; I924-F926 PolarHBondContact O-N 2.7Å; F926-Y928 VanDerWaalsContact C-N 3.3Å; F926-Y928 PolarHBondContact O-N 2.93Å; F926-R929 WeakPolarHBondContact O-CB 3.48Å; F926-R929 PolarHBondContact O-N 3.34Å; F926-R929 VanDerWaalsContact O-N 3.1Å; F926-L930 HydrophobicContact CD1-CD1 4.31Å; F926-L930 HydrophobicContact CE1-CD1 3.65Å; F926-L930 HydrophobicContact CE1-CG 4.17Å; F926-L930 HydrophobicContact CE2-CD2 4.15Å; F926-L930 HydrophobicContact CE2-CG 4.43Å; F926-L930 HydrophobicContact CZ-CD1 3.85Å; F926-L930 HydrophobicContact CZ-CD2 3.94Å; F926-L930 HydrophobicContact CZ-CG 4.06Å; F926-L930 PolarHBondContact O-N 3.29Å; F926-L930 VanDerWaalsContact O-N 3.1Å
927L89.7Confident85.9Confident1 Ų140.2 Ų40.21%0.00521%0.21CC..Hα-helixtrans-58.1-42.4175.8-71.9176.9000112.1W876 K923 I924 R929 L930 H931 F1009 L1013 M1016 F1094W876-L927 HydrophobicContact CH2-CD1 4.27Å; W876-L927 HydrophobicContact CH2-CD2 3.56Å; W876-L927 HydrophobicContact CH2-CG 4Å; W876-L927 HydrophobicContact CZ2-CD1 4.44Å; W876-L927 HydrophobicContact CZ2-CD2 4.47Å; W876-L927 HydrophobicContact CZ3-CD2 3.78Å; K923-L927 PolarHBondContact O-N 3.46Å; I924-L927 HydrophobicContact CD1-CD1 4.22Å; I924-L927 PolarHBondContact O-N 3.43Å; L927-R929 VanDerWaalsContact C-N 3.33Å; L927-R929 PolarHBondContact O-N 3.25Å; L927-L930 HydrophobicContact CD2-CD1 4.45Å; L927-L930 PolarHBondContact O-N 2.88Å; L927-H931 PolarHBondContact O-ND1 3.05Å; L927-F1009 HydrophobicContact CB-CE2 3.85Å; L927-L1013 HydrophobicContact CD1-CD2 4.16Å; L927-M1016 HydrophobicContact CD2-CE 3.76Å; L927-M1016 HydrophobicContact CD2-SD 4.39Å; L927-F1094 HydrophobicContact CD1-CE1 3.67Å; L927-F1094 HydrophobicContact CD1-CZ 3.75Å
928Y90.1Very high84.2Confident1 Ų146.1 Ų46.10%0.00423%0.232CC..Hα-helixtrans-56.7-47.6174.7-176.1-85.7000111.1I924 R925 F926 L930 H931 I932 L998 P999 M1001 V1075 Y1077 I1080I924-Y928 WeakPolarHBondContact O-CB 3.4Å; I924-Y928 PolarHBondContact O-N 2.71Å; R925-Y928 WeakPolarHBondContact O-CB 3.48Å; R925-Y928 PolarHBondContact O-N 3.43Å; F926-Y928 VanDerWaalsContact C-N 3.3Å; F926-Y928 PolarHBondContact O-N 2.93Å; Y928-L930 VanDerWaalsContact C-N 3.27Å; Y928-L930 PolarHBondContact O-N 2.66Å; Y928-H931 PolarHBondContact O-N 3.12Å; Y928-I932 HydrophobicContact CD1-CD1 4.11Å; Y928-I932 HydrophobicContact CE1-CD1 3.87Å; Y928-I932 HydrophobicContact CE1-CG2 4.22Å; Y928-L998 HydrophobicContact CD1-CD1 4.1Å; Y928-L998 HydrophobicContact CE1-CB 4.06Å; Y928-L998 HydrophobicContact CE1-CD1 4.37Å; Y928-P999 WeakPolarHBondContact CE1-O 3.31Å; Y928-P999 PolarHBondContact OH-O 3.41Å; Y928-M1001 HydrophobicContact CD1-CE 4.46Å; Y928-M1001 HydrophobicContact CD2-CE 3.56Å; Y928-M1001 HydrophobicContact CE2-CB 3.94Å; Y928-M1001 HydrophobicContact CE2-CE 3.68Å; Y928-M1001 HydrophobicContact CE2-SD 4.35Å; Y928-M1001 HydrophobicContact CG-CE 3.98Å; Y928-M1001 PolarHBondContact OH-N 3.21Å; Y928-V1075 PolarHBondContact OH-O 2.78Å; Y928-Y1077 HydrophobicContact CD2-CD2 4.22Å; Y928-Y1077 HydrophobicContact CG-CD2 4.07Å; Y928-I1080 HydrophobicContact CD2-CD1 3.93Å; Y928-I1080 HydrophobicContact CE2-CD1 3.82Å
929R90.1Very high82.2Confident110 Ų11048 Ų4842%0.41525%0.252SS..Hα-helixtrans-62.3-29.1178.6-73.3179.371.1160.50.1113.8L894 R925 F926 L927 H931 A935 L998L894-R929 HydrophobicContact CD1-CB 3.93Å; R925-R929 WeakPolarHBondContact O-CG 3.48Å; R925-R929 PolarHBondContact O-N 3.43Å; F926-R929 WeakPolarHBondContact O-CB 3.48Å; F926-R929 PolarHBondContact O-N 3.34Å; F926-R929 VanDerWaalsContact O-N 3.1Å; L927-R929 VanDerWaalsContact C-N 3.33Å; L927-R929 PolarHBondContact O-N 3.25Å; R929-H931 PolarHBondContact O-N 3.44Å; R929-A935 WeakPolarHBondContact O-CB 3.43Å; R929-L998 HydrophobicContact CG-CD2 3.88Å
930L89.8Confident80.7Confident0 Ų044.8 Ų44.80%024%0.237CC..THydrogen-bonded Turntrans-69.9-15.8174.8-65-175.9000113.6L887 R890 L894 F926 L927 Y928L887-L930 HydrophobicContact CD2-CD1 4.31Å; R890-L930 HydrophobicContact CB-CD2 4.18Å; R890-L930 WeakPolarHBondContact CD-O 3.47Å; L894-L930 HydrophobicContact CB-CD2 4.47Å; L894-L930 HydrophobicContact CD2-CD2 4.49Å; F926-L930 HydrophobicContact CD1-CD1 4.31Å; F926-L930 HydrophobicContact CE1-CD1 3.65Å; F926-L930 HydrophobicContact CE1-CG 4.17Å; F926-L930 HydrophobicContact CE2-CD2 4.15Å; F926-L930 HydrophobicContact CE2-CG 4.43Å; F926-L930 HydrophobicContact CZ-CD1 3.85Å; F926-L930 HydrophobicContact CZ-CD2 3.94Å; F926-L930 HydrophobicContact CZ-CG 4.06Å; F926-L930 PolarHBondContact O-N 3.29Å; F926-L930 VanDerWaalsContact O-N 3.1Å; L927-L930 HydrophobicContact CD2-CD1 4.45Å; L927-L930 PolarHBondContact O-N 2.88Å; Y928-L930 VanDerWaalsContact C-N 3.27Å; Y928-L930 PolarHBondContact O-N 2.66Å
931H91.2Very high78.5Confident0 Ų049.6 Ų49.60%026%0.262CS..THydrogen-bonded Turntrans-109.89.3-174.5-65.881.5000113.1R890 L927 Y928 R929 M1001 E1005 Q1008 F1009 T1012R890-H931 PolarHBondContact NH1-CD2 3.21Å; R890-H931 PolarHBondContact NH1-NE2 2.99Å; L927-H931 PolarHBondContact O-ND1 3.05Å; Y928-H931 PolarHBondContact O-N 3.12Å; R929-H931 PolarHBondContact O-N 3.44Å; H931-M1001 HydrophobicContact CB-CE 3.59Å; H931-E1005 WeakPolarHBondContact O-CB 3.22Å; H931-E1005 VanDerWaalsContact O-CG 3.32Å; H931-E1005 WeakPolarHBondContact O-CG 3.34Å; H931-Q1008 VanDerWaalsContact CD2-C 3.46Å; H931-Q1008 PolarHBondContact NE2-O 3.14Å; H931-F1009 HydrophobicContact CB-CB 4.26Å; H931-F1009 WeakPolarHBondContact CD2-CA 3.17Å; H931-F1009 PolarHBondContact CD2-N 3.08Å; H931-F1009 VanDerWaalsContact CD2-N 3.26Å; H931-F1009 AromaticContact ND1-CD2 3.78Å; H931-T1012 PolarHBondContact CE1-OG1 3.34Å; H931-T1012 WeakPolarHBondContact NE2-CB 3.45Å; H931-T1012 PolarHBondContact NE2-OG1 3.49Å
932I86.8Confident76Confident6 Ų656.6 Ų56.63%0.03129%0.294CS..SBendtrans-126.8159.1174.258.1166.3000110.3Y928 A935 L936 P999 M1001Y928-I932 HydrophobicContact CD1-CD1 4.11Å; Y928-I932 HydrophobicContact CE1-CD1 3.87Å; Y928-I932 HydrophobicContact CE1-CG2 4.22Å; I932-A935 PolarHBondContact O-N 2.65Å; I932-A935 VanDerWaalsContact O-N 3.12Å; I932-L936 PolarHBondContact O-N 3.3Å; I932-P999 HydrophobicContact CD1-CB 4.18Å; I932-P999 HydrophobicContact CD1-CG 4.01Å; I932-M1001 HydrophobicContact CG2-CB 4.39Å; I932-M1001 HydrophobicContact CG2-CE 3.89Å; I932-M1001 HydrophobicContact CG2-CG 4.33Å
933P80.8Confident73.6Confident78 Ų7860.6 Ų60.651%0.50632%0.321SS..THydrogen-bonded Turntrans-58.2143.2172.4-26.135.4000112.2E1005P933-E1005 WeakPolarHBondContact CD-OE1 3.48Å
934P77.1Confident70.9Confident91 Ų9164.7 Ų64.759%0.59135%0.352SS*.THydrogen-bonded Turncis-88.1-3.17.735.4-36.7000115T893T893-P934 VanDerWaalsContact CG2-O 3.3Å; T893-P934 WeakPolarHBondContact CG2-O 3.47Å
935A80.7Confident68.3Low2 Ų269.2 Ų69.22%0.01738%0.376CS..THydrogen-bonded Turntrans-68.2-41.1-176.400000111.8R890 L894 R929 I932R890-A935 HydrophobicContact CB-CB 4.31Å; R890-A935 WeakPolarHBondContact CG-O 3.31Å; L894-A935 HydrophobicContact CD1-CB 4.2Å; R929-A935 WeakPolarHBondContact O-CB 3.43Å; I932-A935 PolarHBondContact O-N 2.65Å; I932-A935 VanDerWaalsContact O-N 3.12Å
936L78.6Confident65.6Low26 Ų2678.2 Ų78.214%0.13641%0.41CS..SBendtrans-83.3116171.9-171.772.7000110.3I932 E1005I932-L936 PolarHBondContact O-N 3.3Å; L936-E1005 HydrophobicContact CD2-CG 3.65Å
937T66.4Low62.7Low67 Ų6781.2 Ų81.241%0.41143%0.433SS..  trans-98.6143177.254.10000111.3S939T937-S939 PolarHBondContact O-N 3Å
938E52.7Low59.9Low184 Ų18487.5 Ų87.586%0.8647%0.474SS*.THydrogen-bonded Turntrans-57.3-19.9-174.3-65179.4168.300114.8E940E938-E940 PolarHBondContact O-N 3.2Å
939S46.3Very low57.1Low102 Ų10294.8 Ų94.871%0.71351%0.512SS*.THydrogen-bonded Turntrans-82.98.8-173.470.60000116.6T937 D941T937-S939 PolarHBondContact O-N 3Å; S939-D941 PolarHBondContact O-N 3.35Å
940E55Low54.4Low73 Ų7397.6 Ų97.634%0.34153%0.534SS..  trans-76.826.8174.6-68.4-167.4-179.100113.3T886 R890 E938 E942T886-E940 VanDerWaalsContact CG2-OE1 3.3Å; T886-E940 WeakPolarHBondContact CG2-OE1 3.36Å; R890-E940 IonicContact CZ-OE1 3.42Å; R890-E940 IonicContact CZ-OE2 2.67Å; R890-E940 IonicContact NE-OE1 2.78Å; R890-E940 PolarHBondContact NE-OE1 3.11Å; R890-E940 IonicContact NE-OE2 3.12Å; R890-E940 IonicContact NH2-OE1 3.62Å; R890-E940 IonicContact NH2-OE2 3.58Å; R890-E940 PolarHBondContact NH2-OE2 3.22Å; E938-E940 PolarHBondContact O-N 3.2Å; E940-E942 PolarHBondContact O-N 3.41Å
941D41.9Very low51.6Low110 Ų110101.4 Ų101.459%0.58856%0.561SS**  trans-85.977.5176.1-75.4-26.1000111.3S939 R1004S939-D941 PolarHBondContact O-N 3.35Å; D941-R1004 IonicContact OD1-CZ 3.71Å; D941-R1004 IonicContact OD1-NH1 3.48Å; D941-R1004 PolarHBondContact OD1-NH1 2.77Å; D941-R1004 IonicContact OD1-NH2 3.66Å; D941-R1004 PolarHBondContact OD1-NH2 2.94Å
942E33.5Very low48.9Very low183 Ų183107.5 Ų107.586%0.85560%0.598SS**  trans-171.7124.9141.5-111.2-164.8-177.400112.2E940E940-E942 PolarHBondContact O-N 3.41Å
943P36.8Very low46.1Very low127 Ų127114.1 Ų114.183%0.82563%0.634SS**  trans-88.5115.4179.332.8-29.1000111.3
944S32.5Very low43.4Very low106 Ų106120.8 Ų120.874%0.74165%0.649SS**  trans-11746.2162.361.40000112.3
945L35.5Very low41.1Very low95 Ų95121.2 Ų121.250%0.49765%0.651SS.*  trans-12797.6156.9-80.4167.5000108.1S947L945-S947 PolarHBondContact O-N 3.16Å
946R31.9Very low38.5Very low264 Ų264129.3 Ų129.3100%0.99669%0.694SS**  trans-70.775.6153.9-80.1-172.5178.1177.80.5107.8
947S28.8Very low36.2Very low79 Ų79137 Ų13755%0.55272%0.722SS**PPolyproline II helixtrans-86152.4148.151.60000107.7L945 L949L945-S947 PolarHBondContact O-N 3.16Å; S947-L949 PolarHBondContact O-N 3.29Å
948P30.8Very low34.4Very low133 Ų133141.7 Ų141.786%0.86474%0.744SS**PPolyproline II helixtrans-62.1119.7-173.1-9.423.3000108.6L950P948-L950 PolarHBondContact O-N 3.19Å
949L31.2Very low33.3Very low155 Ų155139.8 Ų139.881%0.81274%0.74SS**PPolyproline II helixtrans-47.2131.7177.8-69.7159.2000110.9S947 S951S947-L949 PolarHBondContact O-N 3.29Å; L949-S951 PolarHBondContact O-N 2.91Å
950L35.3Very low32.4Very low169 Ų169143.3 Ų143.389%0.88574%0.742SS**  trans-52.582.5135.6-96.3151.4000107.1P948 T952P948-L950 PolarHBondContact O-N 3.19Å; L950-T952 PolarHBondContact O-N 3.34Å; L950-T952 VanDerWaalsContact O-N 3.15Å
951S29.9Very low31.4Very low80 Ų80149.2 Ų149.256%0.55977%0.769SS**  trans-73.897.5169.3164.30000106.9L949 N953L949-S951 PolarHBondContact O-N 2.91Å; S951-N953 PolarHBondContact O-N 3.2Å
952T35Very low30.8Very low127 Ų127148.8 Ų148.878%0.77977%0.771SS**  trans-7028.5169.346.60000113.4L950L950-T952 PolarHBondContact O-N 3.34Å; L950-T952 VanDerWaalsContact O-N 3.15Å
953N28.5Very low30.8Very low146 Ų146146 Ų14678%0.78177%0.769SS**  trans-122.339.8174.1-82-20.5000112.9S951S951-N953 PolarHBondContact O-N 3.2Å
954R24.2Very low30.5Very low218 Ų218146 Ų14682%0.82377%0.767SS**SBendtrans-129.3122.9154.8-93.7-173.3177.6-173.4-0.4109.3L956R954-L956 PolarHBondContact O-N 3.14Å; R954-L956 VanDerWaalsContact O-N 3.14Å
955P28.1Very low30.6Very low99 Ų99144.2 Ų144.264%0.64375%0.754SS**  trans-62.4118.916526.8-29.1000106.8Y957P955-Y957 HydrophobicContact CB-CD2 4.06Å; P955-Y957 HydrophobicContact CB-CE2 4.03Å; P955-Y957 HydrophobicContact CG-CD2 3.93Å; P955-Y957 HydrophobicContact CG-CE2 3.77Å; P955-Y957 PolarHBondContact O-N 3.38Å
956L26.2Very low30.8Very low173 Ų173147.8 Ų147.891%0.90677%0.768SS**  trans-68.786.8167-77.2167.8000107.1R954 L958R954-L956 PolarHBondContact O-N 3.14Å; R954-L956 VanDerWaalsContact O-N 3.14Å; L956-L958 PolarHBondContact O-N 3.2Å
957Y29.6Very low31.2Very low188 Ų188138 Ų13874%0.73774%0.74SS**  trans-6799161.6-84.8-86.8000107.7P955 N959P955-Y957 HydrophobicContact CB-CD2 4.06Å; P955-Y957 HydrophobicContact CB-CE2 4.03Å; P955-Y957 HydrophobicContact CG-CD2 3.93Å; P955-Y957 HydrophobicContact CG-CE2 3.77Å; P955-Y957 PolarHBondContact O-N 3.38Å; Y957-N959 PolarHBondContact O-N 2.84Å
958L28Very low31.5Very low165 Ų165141.1 Ų141.186%0.86475%0.746SS**  trans-75.570163.7-158.582.6000108.6L956 K960L956-L958 PolarHBondContact O-N 3.2Å; L958-K960 PolarHBondContact O-N 3.48Å
959N29.7Very low31.7Very low144 Ų144141.4 Ų141.477%0.7774%0.735SS**  trans-8587.9165.3-92.13.2000108.7Y957Y957-N959 PolarHBondContact O-N 2.84Å
960K29.2Very low32Very low175 Ų175140.7 Ų140.776%0.76173%0.728SS**  trans-125.798.6149.1-139.7179.7-174.1-177.30106.4L958 T962L958-K960 PolarHBondContact O-N 3.48Å; K960-T962 VanDerWaalsContact C-N 3.29Å; K960-T962 PolarHBondContact O-N 2.96Å
961E32.7Very low32.4Very low197 Ų197138.1 Ų138.192%0.92171%0.712SS**  trans-61.496.8164.6-73179.3165.800107.7
962T28.7Very low33Very low101 Ų101138.4 Ų138.462%0.6271%0.71SS**  trans-135.9139.5160.820.10000106.3K960 V964K960-T962 VanDerWaalsContact C-N 3.29Å; K960-T962 PolarHBondContact O-N 2.96Å; T962-V964 PolarHBondContact O-N 3.45Å
963P33.7Very low33.6Very low125 Ų125138.7 Ų138.781%0.81270%0.7SS**  trans-63.1128.4-171.226.8-32.5000109.5S965P963-S965 PolarHBondContact O-N 3.07Å; P963-S965 VanDerWaalsContact O-N 3.13Å
964V31.2Very low34.8Very low128 Ų128136.9 Ų136.978%0.77669%0.69SS**  trans-50.1114.2172.9177.90000108.7T962T962-V964 PolarHBondContact O-N 3.45Å
965S35.3Very low36.2Very low67 Ų67131 Ų13147%0.46967%0.669SS.*  trans-80.4135156.349.10000107.4P963 S967P963-S965 PolarHBondContact O-N 3.07Å; P963-S965 VanDerWaalsContact O-N 3.13Å; S965-S967 PolarHBondContact O-N 2.88Å; S965-S967 PolarHBondContact OG-OG 2.94Å
966E39.3Very low37.4Very low171 Ų171130.5 Ų130.580%0.79966%0.658SS**THydrogen-bonded Turntrans-57-2.9178-69.3172.114900113.9E970E966-E970 PolarHBondContact O-N 3.27Å
967S40.2Very low39Very low59 Ų59128.8 Ų128.841%0.41365%0.645SS.*Hα-helixtrans-75.4-30.9-177.256.90000115.5S965 E971S965-S967 PolarHBondContact O-N 2.88Å; S965-S967 PolarHBondContact OG-OG 2.94Å; S967-E971 PolarHBondContact O-N 3.43Å; S967-E971 VanDerWaalsContact O-N 3.09Å
968E35.2Very low40.5Very low143 Ų143124.3 Ų124.367%0.66863%0.631SS**Hα-helixtrans-80.6-30.4-177.8-72.8-177.1176.500112.8V972E968-V972 WeakPolarHBondContact O-CG2 3.44Å; E968-V972 PolarHBondContact O-N 3.25Å
969E34.3Very low42.1Very low139 Ų139117 Ų11765%0.6559%0.593SS**Hα-helixtrans-75.4-26.8171.4-80.7-169.1173.300112.5K973E969-K973 WeakPolarHBondContact O-CB 3.4Å; E969-K973 PolarHBondContact O-N 2.87Å
970E38.6Very low43.7Very low140 Ų140116.5 Ų116.565%0.65458%0.584SS**Hα-helixtrans-70.8-46170.8-83.6-173157.600111.4E966 V972 K973 D974E966-E970 PolarHBondContact O-N 3.27Å; E970-V972 PolarHBondContact O-N 3.49Å; E970-K973 PolarHBondContact O-N 3.32Å; E970-D974 WeakPolarHBondContact O-CB 3.19Å; E970-D974 PolarHBondContact O-N 2.94Å
971E43.3Very low45.5Very low116 Ų116112.6 Ų112.654%0.54257%0.568SS.*Hα-helixtrans-57.7-47.6176.6-89-176.516200111.8S967 K973 D974 Y975S967-E971 PolarHBondContact O-N 3.43Å; S967-E971 VanDerWaalsContact O-N 3.09Å; E971-K973 VanDerWaalsContact C-N 3.34Å; E971-K973 PolarHBondContact O-N 3.42Å; E971-D974 WeakPolarHBondContact O-CB 3.24Å; E971-D974 PolarHBondContact O-N 3Å; E971-Y975 HydrophobicContact CB-CE2 4.32Å; E971-Y975 WeakPolarHBondContact O-CD2 3.44Å; E971-Y975 PolarHBondContact O-N 3.15Å
972V42.5Very low47Very low85 Ų85105.2 Ų105.252%0.51553%0.534SS..Hα-helixtrans-67-32.3-179.5177.60000112.7E968 E970 Q976E968-V972 WeakPolarHBondContact O-CG2 3.44Å; E968-V972 PolarHBondContact O-N 3.25Å; E970-V972 PolarHBondContact O-N 3.49Å; V972-Q976 PolarHBondContact O-N 3.41Å
973K46.8Very low48.7Very low134 Ų134102.5 Ų102.558%0.58352%0.516SS*.Hα-helixtrans-71-38.9172.1-87.4175.8178.9162.60112.1E969 E970 E971 Q976 E977E969-K973 WeakPolarHBondContact O-CB 3.4Å; E969-K973 PolarHBondContact O-N 2.87Å; E970-K973 PolarHBondContact O-N 3.32Å; E971-K973 VanDerWaalsContact C-N 3.34Å; E971-K973 PolarHBondContact O-N 3.42Å; K973-Q976 PolarHBondContact O-N 3.07Å; K973-E977 PolarHBondContact O-N 3.41Å
974D55.3Low50Low107 Ų107101.9 Ų101.957%0.57250%0.502SS*.Hα-helixtrans-63.3-43.4177.5-158.125.7000110.6E970 E971 Q976 E977 Q978E970-D974 WeakPolarHBondContact O-CB 3.19Å; E970-D974 PolarHBondContact O-N 2.94Å; E971-D974 WeakPolarHBondContact O-CB 3.24Å; E971-D974 PolarHBondContact O-N 3Å; D974-Q976 PolarHBondContact O-N 3.36Å; D974-E977 PolarHBondContact O-N 2.97Å; D974-Q978 VanDerWaalsContact O-CB 3.29Å; D974-Q978 WeakPolarHBondContact O-CB 3.46Å; D974-Q978 PolarHBondContact O-N 3.15Å
975Y52.3Low51.4Low95 Ų9598.9 Ų98.937%0.37348%0.481SS..Hα-helixtrans-61.2-39.8173-75.9-66.5000113.3E971 L979E971-Y975 HydrophobicContact CB-CE2 4.32Å; E971-Y975 WeakPolarHBondContact O-CD2 3.44Å; E971-Y975 PolarHBondContact O-N 3.15Å; Y975-L979 VanDerWaalsContact O-CB 3.24Å; Y975-L979 WeakPolarHBondContact O-CB 3.13Å; Y975-L979 PolarHBondContact O-N 3.3Å
976Q54.1Low52.7Low89 Ų8997.1 Ų97.142%0.41647%0.467SS..Hα-helixtrans-69.6-35.2177.4-78.2-170-1400113V972 K973 D974 K980V972-Q976 PolarHBondContact O-N 3.41Å; K973-Q976 PolarHBondContact O-N 3.07Å; D974-Q976 PolarHBondContact O-N 3.36Å; Q976-K980 WeakPolarHBondContact O-CG 3.41Å; Q976-K980 PolarHBondContact O-N 2.92Å; Q976-K980 VanDerWaalsContact O-N 3.1Å
977E59Low53.5Low137 Ų13793.1 Ų93.164%0.6445%0.454SS*.Hα-helixtrans-71.8-42174.3-74.3-170175.200111.5K973 D974 L979 K980 Q981K973-E977 PolarHBondContact O-N 3.41Å; D974-E977 PolarHBondContact O-N 2.97Å; E977-L979 PolarHBondContact O-N 3.31Å; E977-K980 PolarHBondContact O-N 3.22Å; E977-Q981 PolarHBondContact O-N 3.3Å
978Q61Low54.2Low93 Ų9396.2 Ų96.244%0.43546%0.46SS..Hα-helixtrans-59.9-44.7174-167176.96.500111.3D974 K980 Q981 M982D974-Q978 VanDerWaalsContact O-CB 3.29Å; D974-Q978 WeakPolarHBondContact O-CB 3.46Å; D974-Q978 PolarHBondContact O-N 3.15Å; Q978-K980 PolarHBondContact O-N 2.64Å; Q978-Q981 PolarHBondContact O-N 3.12Å; Q978-M982 HydrophobicContact CG-SD 4.32Å; Q978-M982 VanDerWaalsContact O-CG 3.26Å; Q978-M982 WeakPolarHBondContact O-CG 3.39Å; Q978-M982 PolarHBondContact O-N 2.91Å
979L62.1Low55Low11 Ų1195 Ų956%0.05845%0.454CS..Hα-helixtrans-62.5-41.8175.4-175.578.7000112.4Y975 E977 Q981 M982 L983 L1036 I1040 A1082Y975-L979 VanDerWaalsContact O-CB 3.24Å; Y975-L979 WeakPolarHBondContact O-CB 3.13Å; Y975-L979 PolarHBondContact O-N 3.3Å; E977-L979 PolarHBondContact O-N 3.31Å; L979-Q981 VanDerWaalsContact C-N 3.33Å; L979-Q981 PolarHBondContact O-N 2.95Å; L979-M982 PolarHBondContact O-N 3.46Å; L979-L983 HydrophobicContact CG-CD1 4.15Å; L979-L983 WeakPolarHBondContact O-CB 3.13Å; L979-L983 WeakPolarHBondContact O-CG 3.37Å; L979-L983 PolarHBondContact O-N 3.16Å; L979-L1036 HydrophobicContact CD1-CD2 4.45Å; L979-L1036 HydrophobicContact CD2-CD2 4.44Å; L979-I1040 HydrophobicContact CD2-CD1 3.39Å; L979-I1040 HydrophobicContact CD2-CG1 4.07Å; L979-A1082 HydrophobicContact CD1-CB 3.52Å
980K63.9Low55.5Low134 Ų13494.9 Ų94.958%0.58345%0.452SS*.Hα-helixtrans-62.2-40.6176-82.4176.4-179.6173.40111.8Q976 E977 Q978 Q984Q976-K980 WeakPolarHBondContact O-CG 3.41Å; Q976-K980 PolarHBondContact O-N 2.92Å; Q976-K980 VanDerWaalsContact O-N 3.1Å; E977-K980 PolarHBondContact O-N 3.22Å; Q978-K980 PolarHBondContact O-N 2.64Å; K980-Q984 WeakPolarHBondContact O-CG 3.45Å; K980-Q984 PolarHBondContact O-N 3.49Å; K980-Q984 VanDerWaalsContact O-N 3.11Å
981Q66.5Low55.9Low94 Ų9496.6 Ų96.644%0.43946%0.46SS..Hα-helixtrans-65.4-45.6176.8-174.457.944.400111.2E977 Q978 L979 L983 Q984 D985E977-Q981 PolarHBondContact O-N 3.3Å; Q978-Q981 PolarHBondContact O-N 3.12Å; L979-Q981 VanDerWaalsContact C-N 3.33Å; L979-Q981 PolarHBondContact O-N 2.95Å; Q981-L983 PolarHBondContact O-N 3.49Å; Q981-Q984 WeakPolarHBondContact O-CB 3.3Å; Q981-Q984 PolarHBondContact O-N 3.08Å; Q981-Q984 VanDerWaalsContact O-N 3.14Å; Q981-D985 PolarHBondContact NE2-OD1 3.34Å; Q981-D985 PolarHBondContact NE2-OD2 3Å; Q981-D985 PolarHBondContact O-N 3.37Å
982M63.7Low56Low42 Ų42100.2 Ų100.221%0.20747%0.473CS..Hα-helixtrans-64.5-38.9177.6-67.7177.872.100112.7Q978 L979 Q984 D985 L986 A1082 L1085Q978-M982 HydrophobicContact CG-SD 4.32Å; Q978-M982 VanDerWaalsContact O-CG 3.26Å; Q978-M982 WeakPolarHBondContact O-CG 3.39Å; Q978-M982 PolarHBondContact O-N 2.91Å; L979-M982 PolarHBondContact O-N 3.46Å; M982-Q984 VanDerWaalsContact C-N 3.31Å; M982-Q984 PolarHBondContact O-N 2.61Å; M982-D985 PolarHBondContact O-N 3.37Å; M982-L986 WeakPolarHBondContact O-CB 3.25Å; M982-L986 VanDerWaalsContact O-CG 3.27Å; M982-L986 WeakPolarHBondContact O-CG 3.37Å; M982-L986 PolarHBondContact O-N 3.3Å; M982-A1082 HydrophobicContact CB-CB 4.36Å; M982-L1085 HydrophobicContact CE-CB 3.29Å; M982-L1085 HydrophobicContact CE-CD1 3.59Å; M982-L1085 HydrophobicContact CE-CG 4.08Å
983L65.1Low56Low43 Ų43100.7 Ų100.723%0.22547%0.473CS..Hα-helixtrans-62.1-38.6173-78.8167.7000111.9L979 Q981 V987 A1078 Q1079 A1082L979-L983 HydrophobicContact CG-CD1 4.15Å; L979-L983 WeakPolarHBondContact O-CB 3.13Å; L979-L983 WeakPolarHBondContact O-CG 3.37Å; L979-L983 PolarHBondContact O-N 3.16Å; Q981-L983 PolarHBondContact O-N 3.49Å; L983-V987 WeakPolarHBondContact O-CG2 3.45Å; L983-V987 PolarHBondContact O-N 3.49Å; L983-V987 VanDerWaalsContact O-N 3.08Å; L983-A1078 HydrophobicContact CD2-CB 4.09Å; L983-Q1079 HydrophobicContact CD2-CG 4.17Å; L983-A1082 HydrophobicContact CD2-CB 4.09Å; L983-A1082 HydrophobicContact CG-CB 4.07Å
984Q60.5Low55.5Low112 Ų11299.7 Ų99.752%0.52349%0.49SS..Hα-helixtrans-68.4-37.3175.1-73.7178.715.600112.5K980 Q981 M982 V987 K988K980-Q984 WeakPolarHBondContact O-CG 3.45Å; K980-Q984 PolarHBondContact O-N 3.49Å; K980-Q984 VanDerWaalsContact O-N 3.11Å; Q981-Q984 WeakPolarHBondContact O-CB 3.3Å; Q981-Q984 PolarHBondContact O-N 3.08Å; Q981-Q984 VanDerWaalsContact O-N 3.14Å; M982-Q984 VanDerWaalsContact C-N 3.31Å; M982-Q984 PolarHBondContact O-N 2.61Å; Q984-V987 PolarHBondContact O-N 2.98Å; Q984-K988 PolarHBondContact O-N 3.47Å
985D61.4Low55.3Low65 Ų65100.9 Ų100.935%0.34850%0.496SS..Hα-helixtrans-74.8-34.5179.2-67.2-31.6000112Q981 M982 V987 K988 E989Q981-D985 PolarHBondContact NE2-OD1 3.34Å; Q981-D985 PolarHBondContact NE2-OD2 3Å; Q981-D985 PolarHBondContact O-N 3.37Å; M982-D985 PolarHBondContact O-N 3.37Å; D985-V987 VanDerWaalsContact C-N 3.34Å; D985-V987 PolarHBondContact O-N 3.23Å; D985-K988 WeakPolarHBondContact O-CB 3.45Å; D985-K988 PolarHBondContact O-N 3.08Å; D985-K988 IonicContact OD1-NZ 2.76Å; D985-K988 PolarHBondContact OD1-NZ 3.49Å; D985-E989 PolarHBondContact O-N 2.75Å
986L61.5Low55.5Low30 Ų30105.4 Ų105.416%0.15752%0.518CS..Hα-helixtrans-66.1-32.8169.8-74.3169.3000112.9M982 K988 E989 K990 L1081 A1082M982-L986 WeakPolarHBondContact O-CB 3.25Å; M982-L986 VanDerWaalsContact O-CG 3.27Å; M982-L986 WeakPolarHBondContact O-CG 3.37Å; M982-L986 PolarHBondContact O-N 3.3Å; L986-K988 VanDerWaalsContact C-N 3.31Å; L986-E989 PolarHBondContact O-N 3.27Å; L986-K990 PolarHBondContact O-N 2.69Å; L986-L1081 HydrophobicContact CD1-CD2 4.04Å; L986-L1081 HydrophobicContact CD1-CG 4.46Å; L986-L1081 HydrophobicContact CD2-CD2 3.66Å; L986-A1082 HydrophobicContact CD1-CB 4Å
987V57.4Low56Low88 Ų88106.2 Ų106.253%0.53353%0.53SS..Hα-helixtrans-67.1-32.9173.2167.80000111.3L983 Q984 D985 K990L983-V987 WeakPolarHBondContact O-CG2 3.45Å; L983-V987 PolarHBondContact O-N 3.49Å; L983-V987 VanDerWaalsContact O-N 3.08Å; Q984-V987 PolarHBondContact O-N 2.98Å; D985-V987 VanDerWaalsContact C-N 3.34Å; D985-V987 PolarHBondContact O-N 3.23Å; V987-K990 VanDerWaalsContact O-CB 3.28Å; V987-K990 WeakPolarHBondContact O-CB 3.37Å; V987-K990 PolarHBondContact O-N 3.17Å
988K54.6Low57Low124 Ų124102.1 Ų102.154%0.53951%0.513SS..Hα-helixtrans-72.3-36173.1-67.7171.9-167.41520112.7Q984 D985 L986 K990 E991Q984-K988 PolarHBondContact O-N 3.47Å; D985-K988 WeakPolarHBondContact O-CB 3.45Å; D985-K988 PolarHBondContact O-N 3.08Å; D985-K988 IonicContact OD1-NZ 2.76Å; D985-K988 PolarHBondContact OD1-NZ 3.49Å; L986-K988 VanDerWaalsContact C-N 3.31Å; K988-K990 VanDerWaalsContact C-N 3.27Å; K988-K990 PolarHBondContact O-N 3.06Å; K988-E991 PolarHBondContact O-N 3.43Å
989E51.1Low58.1Low116 Ų116101.2 Ų101.254%0.54252%0.515SS..Hα-helixtrans-65.6-32.1172.1-75.7-150.1143.200112.5D985 L986 E991 K992D985-E989 PolarHBondContact O-N 2.75Å; L986-E989 PolarHBondContact O-N 3.27Å; E989-E991 PolarHBondContact O-N 2.94Å; E989-E991 VanDerWaalsContact O-N 3.11Å; E989-K992 PolarHBondContact O-N 3.41Å
990K45.3Very low59.2Low138 Ų138105.1 Ų105.160%0.654%0.535SS*.THydrogen-bonded Turntrans-60-18.1175.1-134.8-178-177.5-1770114.3L986 V987 K988 K992L986-K990 PolarHBondContact O-N 2.69Å; V987-K990 VanDerWaalsContact O-CB 3.28Å; V987-K990 WeakPolarHBondContact O-CB 3.37Å; V987-K990 PolarHBondContact O-N 3.17Å; K988-K990 VanDerWaalsContact C-N 3.27Å; K988-K990 PolarHBondContact O-N 3.06Å; K990-K992 VanDerWaalsContact C-N 3.32Å
991E47.1Very low60.3Low176 Ų17698.7 Ų98.782%0.82251%0.508SS*.THydrogen-bonded Turntrans-80.7-10.9174-66.7-171.3154.800113.2K988 E989K988-E991 PolarHBondContact O-N 3.43Å; E989-E991 PolarHBondContact O-N 2.94Å; E989-E991 VanDerWaalsContact O-N 3.11Å
992K44.4Very low61.3Low191 Ų19195.9 Ų95.983%0.8350%0.496SS*.THydrogen-bonded Turntrans-98.5-28.9177.3-75.3-178.6175.8176.40114.3E989 K990E989-K992 PolarHBondContact O-N 3.41Å; K990-K992 VanDerWaalsContact C-N 3.32Å
993D43.5Very low62.2Low96 Ų9698.5 Ų98.551%0.51351%0.507SS..  trans-101.3101.2178-93.5-9000110.8R925 D995R925-D993 IonicContact NH1-OD2 3.6Å; D993-D995 PolarHBondContact O-N 2.91Å
994A36.3Very low63.1Low112 Ų112102.5 Ų102.593%0.92652%0.519SS*.  trans-77.550.7-178.100000113.9
995D49.8Very low64.4Low132 Ų13297.9 Ų97.971%0.70650%0.498SS*.PPolyproline II helixtrans-101.5147.3176-108.9-14000112.5D993D993-D995 PolarHBondContact O-N 2.91Å
996K56.5Low65.7Low191 Ų19195 Ų9583%0.8348%0.482SS*.PPolyproline II helixtrans-55.1141177.4-80.2175.5178.9172.30110.8L998K996-L998 PolarHBondContact O-N 3.23Å
997P64.6Low66.8Low105 Ų10597.3 Ų97.368%0.68249%0.494SS*.PPolyproline II helixtrans-59.9129.1177.224.9-32.8000110.7
998L80.4Confident68.1Low51 Ų5195.4 Ų95.427%0.26748%0.479SS..PPolyproline II helixtrans-64.4142.7176.2-70.5169.1000110.7R925 Y928 R929 K996 Y1077R925-L998 HydrophobicContact CG-CD1 3.83Å; Y928-L998 HydrophobicContact CD1-CD1 4.1Å; Y928-L998 HydrophobicContact CE1-CB 4.06Å; Y928-L998 HydrophobicContact CE1-CD1 4.37Å; R929-L998 HydrophobicContact CG-CD2 3.88Å; K996-L998 PolarHBondContact O-N 3.23Å; L998-Y1077 HydrophobicContact CD1-CD1 4.5Å; L998-Y1077 HydrophobicContact CD1-CD2 4.5Å; L998-Y1077 HydrophobicContact CD1-CG 4.11Å
999P83.7Confident69.8Low74 Ų7489.6 Ų89.648%0.48145%0.454SS..PPolyproline II helixtrans-53.9146.9171.9-2533.4000112Y928 I932Y928-P999 WeakPolarHBondContact CE1-O 3.31Å; Y928-P999 PolarHBondContact OH-O 3.41Å; I932-P999 HydrophobicContact CD1-CB 4.18Å; I932-P999 HydrophobicContact CD1-CG 4.01Å
1000L86.1Confident71.5Confident93 Ų9385 Ų8549%0.48744%0.435SS..PPolyproline II helixtrans-69.5147.6172.8-61.4176.2000110.2T1074L1000-T1074 HydrophobicContact CB-CG2 4.35Å
1001M86.9Confident73.5Confident0 Ų083.2 Ų83.20%043%0.426CS..EExtended strand (participates in β ladder)trans-93.5126.5177.7-167.5174.4-79.300109.4Y928 H931 I932 E1005 F1006 F1009 T1074 V1075 I1080Y928-M1001 HydrophobicContact CD1-CE 4.46Å; Y928-M1001 HydrophobicContact CD2-CE 3.56Å; Y928-M1001 HydrophobicContact CE2-CB 3.94Å; Y928-M1001 HydrophobicContact CE2-CE 3.68Å; Y928-M1001 HydrophobicContact CE2-SD 4.35Å; Y928-M1001 HydrophobicContact CG-CE 3.98Å; Y928-M1001 PolarHBondContact OH-N 3.21Å; H931-M1001 HydrophobicContact CB-CE 3.59Å; I932-M1001 HydrophobicContact CG2-CB 4.39Å; I932-M1001 HydrophobicContact CG2-CE 3.89Å; I932-M1001 HydrophobicContact CG2-CG 4.33Å; M1001-E1005 VanDerWaalsContact CA-OE2 3.24Å; M1001-E1005 WeakPolarHBondContact CA-OE2 3.33Å; M1001-E1005 HydrophobicContact CG-CB 3.3Å; M1001-E1005 HydrophobicContact CG-CG 4.46Å; M1001-E1005 HydrophobicContact SD-CB 4.19Å; M1001-F1006 HydrophobicContact CG-CB 4.25Å; M1001-F1006 VanDerWaalsContact SD-CA 3.53Å; M1001-F1006 HydrophobicContact SD-CB 4.03Å; M1001-F1006 HydrophobicContact SD-CD2 4.28Å; M1001-F1009 HydrophobicContact CE-CB 4.48Å; M1001-F1009 HydrophobicContact SD-CB 4.05Å; M1001-F1009 HydrophobicContact SD-CG 4.49Å; M1001-T1074 CarbonylContact O-C 3.59Å; M1001-T1074 VanDerWaalsContact O-CA 3.26Å; M1001-T1074 WeakPolarHBondContact O-CA 3.3Å; M1001-V1075 HydrophobicContact CB-CG1 3.95Å; M1001-V1075 PolarHBondContact N-O 2.97Å; M1001-V1075 PolarHBondContact O-N 3.37Å; M1001-I1080 HydrophobicContact SD-CD1 4.04Å
1002N87.5Confident75.4Confident35 Ų3575.1 Ų75.119%0.18739%0.389CS..EExtended strand (participates in β ladder)trans-78.7173.4173.867.142.9000111.5R1004 E1005 F1006 W1073N1002-R1004 VanDerWaalsContact C-N 3.28Å; N1002-R1004 PolarHBondContact O-N 3.38Å; N1002-R1004 WeakPolarHBondContact OD1-CB 3.36Å; N1002-R1004 PolarHBondContact OD1-N 2.94Å; N1002-R1004 VanDerWaalsContact OD1-N 3.07Å; N1002-E1005 PolarHBondContact N-OE2 3.3Å; N1002-E1005 VanDerWaalsContact ND2-CD 3.32Å; N1002-E1005 PolarHBondContact ND2-OE1 3.27Å; N1002-E1005 PolarHBondContact O-N 3.48Å; N1002-E1005 WeakPolarHBondContact OD1-CB 3.43Å; N1002-E1005 VanDerWaalsContact OD1-CG 3.25Å; N1002-E1005 WeakPolarHBondContact OD1-CG 3.45Å; N1002-E1005 PolarHBondContact OD1-N 2.93Å; N1002-F1006 WeakPolarHBondContact O-CB 3.18Å; N1002-F1006 PolarHBondContact O-N 3.22Å; N1002-W1073 WeakPolarHBondContact CA-O 3.4Å
1003Q83.3Confident77.4Confident97 Ų9766.1 Ų66.145%0.45335%0.35SS..Hα-helixtrans-60.7-38.3-176.2-165.617915.300112.5F1006 I1007 W1073Q1003-F1006 PolarHBondContact O-N 3.4Å; Q1003-I1007 HydrophobicContact CG-CD1 4.27Å; Q1003-I1007 WeakPolarHBondContact O-CD1 3.42Å; Q1003-I1007 VanDerWaalsContact O-CG1 3.25Å; Q1003-I1007 WeakPolarHBondContact O-CG1 3.31Å; Q1003-I1007 PolarHBondContact O-N 2.97Å; Q1003-W1073 HydrophobicContact CB-CB 4.36Å; Q1003-W1073 HydrophobicContact CB-CD2 4.17Å; Q1003-W1073 HydrophobicContact CB-CE3 3.57Å; Q1003-W1073 HydrophobicContact CB-CZ3 4.23Å; Q1003-W1073 HydrophobicContact CG-CD2 4.34Å; Q1003-W1073 HydrophobicContact CG-CE3 4.03Å; Q1003-W1073 PolarHBondContact N-O 3.08Å
1004R83.4Confident79.4Confident126 Ų12667.6 Ų67.648%0.47535%0.35SS..Hα-helixtrans-65.3-45.9179.7176.5-177171.8156.55111.3D941 N1002 I1007 Q1008D941-R1004 IonicContact OD1-CZ 3.71Å; D941-R1004 IonicContact OD1-NH1 3.48Å; D941-R1004 PolarHBondContact OD1-NH1 2.77Å; D941-R1004 IonicContact OD1-NH2 3.66Å; D941-R1004 PolarHBondContact OD1-NH2 2.94Å; N1002-R1004 VanDerWaalsContact C-N 3.28Å; N1002-R1004 PolarHBondContact O-N 3.38Å; N1002-R1004 WeakPolarHBondContact OD1-CB 3.36Å; N1002-R1004 PolarHBondContact OD1-N 2.94Å; N1002-R1004 VanDerWaalsContact OD1-N 3.07Å; R1004-I1007 PolarHBondContact O-N 3.12Å; R1004-Q1008 PolarHBondContact O-N 2.88Å
1005E88Confident81.7Confident16 Ų1663 Ų638%0.07531%0.31CS..Hα-helixtrans-63.2-42.5177.3-69.6168.3166.900111.3H931 P933 L936 M1001 N1002 I1007 Q1008 F1009H931-E1005 WeakPolarHBondContact O-CB 3.22Å; H931-E1005 VanDerWaalsContact O-CG 3.32Å; H931-E1005 WeakPolarHBondContact O-CG 3.34Å; P933-E1005 WeakPolarHBondContact CD-OE1 3.48Å; L936-E1005 HydrophobicContact CD2-CG 3.65Å; M1001-E1005 VanDerWaalsContact CA-OE2 3.24Å; M1001-E1005 WeakPolarHBondContact CA-OE2 3.33Å; M1001-E1005 HydrophobicContact CG-CB 3.3Å; M1001-E1005 HydrophobicContact CG-CG 4.46Å; M1001-E1005 HydrophobicContact SD-CB 4.19Å; N1002-E1005 PolarHBondContact N-OE2 3.3Å; N1002-E1005 VanDerWaalsContact ND2-CD 3.32Å; N1002-E1005 PolarHBondContact ND2-OE1 3.27Å; N1002-E1005 PolarHBondContact O-N 3.48Å; N1002-E1005 WeakPolarHBondContact OD1-CB 3.43Å; N1002-E1005 VanDerWaalsContact OD1-CG 3.25Å; N1002-E1005 WeakPolarHBondContact OD1-CG 3.45Å; N1002-E1005 PolarHBondContact OD1-N 2.93Å; E1005-I1007 PolarHBondContact O-N 3.13Å; E1005-Q1008 WeakPolarHBondContact O-CB 3.45Å; E1005-Q1008 PolarHBondContact O-N 2.77Å; E1005-Q1008 VanDerWaalsContact O-N 3.13Å; E1005-F1009 PolarHBondContact O-N 3.16Å
1006F88.2Confident83.4Confident4 Ų457.1 Ų57.12%0.01828%0.279CS..Hα-helixtrans-63.3-40.4176.8-178.4-113.3000112.5M1001 N1002 Q1003 Q1008 F1009 C1010 T1034 V1037 L1038 W1073 V1075 I1080M1001-F1006 HydrophobicContact CG-CB 4.25Å; M1001-F1006 VanDerWaalsContact SD-CA 3.53Å; M1001-F1006 HydrophobicContact SD-CB 4.03Å; M1001-F1006 HydrophobicContact SD-CD2 4.28Å; N1002-F1006 WeakPolarHBondContact O-CB 3.18Å; N1002-F1006 PolarHBondContact O-N 3.22Å; Q1003-F1006 PolarHBondContact O-N 3.4Å; F1006-Q1008 VanDerWaalsContact C-N 3.29Å; F1006-Q1008 PolarHBondContact O-N 2.93Å; F1006-F1009 HydrophobicContact CD2-CD1 4.35Å; F1006-F1009 HydrophobicContact CE2-CD1 4.27Å; F1006-F1009 WeakPolarHBondContact O-CB 3.37Å; F1006-F1009 PolarHBondContact O-N 3Å; F1006-F1009 VanDerWaalsContact O-N 3.17Å; F1006-C1010 VanDerWaalsContact CZ-SG 3.55Å; F1006-C1010 PolarHBondContact O-N 3.36Å; F1006-T1034 HydrophobicContact CE1-CG2 4.08Å; F1006-T1034 HydrophobicContact CZ-CG2 4.46Å; F1006-V1037 HydrophobicContact CD1-CG1 4.43Å; F1006-V1037 HydrophobicContact CD2-CG1 4.23Å; F1006-V1037 HydrophobicContact CE1-CB 4.15Å; F1006-V1037 HydrophobicContact CE1-CG1 3.8Å; F1006-V1037 HydrophobicContact CE2-CB 4.15Å; F1006-V1037 HydrophobicContact CE2-CG1 3.57Å; F1006-V1037 HydrophobicContact CE2-CG2 4.43Å; F1006-V1037 HydrophobicContact CZ-CB 3.56Å; F1006-V1037 HydrophobicContact CZ-CG1 3.33Å; F1006-V1037 HydrophobicContact CZ-CG2 4.15Å; F1006-L1038 HydrophobicContact CD1-CD2 4.45Å; F1006-L1038 HydrophobicContact CE1-CD2 4.4Å; F1006-L1038 HydrophobicContact CE1-CG 4.32Å; F1006-W1073 HydrophobicContact CB-CH2 3.98Å; F1006-W1073 HydrophobicContact CB-CZ3 3.74Å; F1006-W1073 AromaticContact CD1-CH2 3.57Å; F1006-W1073 HydrophobicContact CD1-CH2 3.57Å; F1006-W1073 HydrophobicContact CD1-CZ2 4.42Å; F1006-W1073 HydrophobicContact CD1-CZ3 4.12Å; F1006-W1073 HydrophobicContact CD2-CH2 4.5Å; F1006-W1073 HydrophobicContact CE1-CH2 4.2Å; F1006-W1073 AromaticContact CG-CH2 3.75Å; F1006-W1073 HydrophobicContact CG-CH2 3.75Å; F1006-W1073 HydrophobicContact CG-CZ3 4.06Å; F1006-V1075 HydrophobicContact CD2-CG1 4.28Å; F1006-I1080 HydrophobicContact CD2-CD1 3.8Å; F1006-I1080 HydrophobicContact CD2-CG1 4.46Å; F1006-I1080 HydrophobicContact CE2-CD1 4Å; F1006-I1080 HydrophobicContact CE2-CG1 4.24Å
1007I85.5Confident84.8Confident79 Ų7948 Ų4841%0.40524%0.239SC..Hα-helixtrans-60.4-40.7173.6-70.4163.5000111Q1003 R1004 E1005 C1010 K1011Q1003-I1007 HydrophobicContact CG-CD1 4.27Å; Q1003-I1007 WeakPolarHBondContact O-CD1 3.42Å; Q1003-I1007 VanDerWaalsContact O-CG1 3.25Å; Q1003-I1007 WeakPolarHBondContact O-CG1 3.31Å; Q1003-I1007 PolarHBondContact O-N 2.97Å; R1004-I1007 PolarHBondContact O-N 3.12Å; E1005-I1007 PolarHBondContact O-N 3.13Å; I1007-C1010 PolarHBondContact O-N 2.79Å; I1007-K1011 HydrophobicContact CG2-CD 4.37Å; I1007-K1011 WeakPolarHBondContact O-CG 3.26Å; I1007-K1011 PolarHBondContact O-N 3.42Å
1008Q84.4Confident85.6Confident47 Ų4747.4 Ų47.422%0.2223%0.227CC..Hα-helixtrans-66.9-38.8176.2-66.8-63.8-22.700111.7H931 R1004 E1005 F1006 K1011 T1012H931-Q1008 VanDerWaalsContact CD2-C 3.46Å; H931-Q1008 PolarHBondContact NE2-O 3.14Å; R1004-Q1008 PolarHBondContact O-N 2.88Å; E1005-Q1008 WeakPolarHBondContact O-CB 3.45Å; E1005-Q1008 PolarHBondContact O-N 2.77Å; E1005-Q1008 VanDerWaalsContact O-N 3.13Å; F1006-Q1008 VanDerWaalsContact C-N 3.29Å; F1006-Q1008 PolarHBondContact O-N 2.93Å; Q1008-K1011 PolarHBondContact O-N 3.16Å; Q1008-T1012 PolarHBondContact O-N 3.49Å; Q1008-T1012 PolarHBondContact O-OG1 3.23Å
1009F89.3Confident85.3Confident3 Ų347.7 Ų47.71%0.01324%0.242CC..Hα-helixtrans-58.6-48173.6177.7-94.8000111.6L927 H931 M1001 E1005 F1006 K1011 T1012 L1013 I1080 L1084L927-F1009 HydrophobicContact CB-CE2 3.85Å; H931-F1009 HydrophobicContact CB-CB 4.26Å; H931-F1009 WeakPolarHBondContact CD2-CA 3.17Å; H931-F1009 PolarHBondContact CD2-N 3.08Å; H931-F1009 VanDerWaalsContact CD2-N 3.26Å; H931-F1009 AromaticContact ND1-CD2 3.78Å; M1001-F1009 HydrophobicContact CE-CB 4.48Å; M1001-F1009 HydrophobicContact SD-CB 4.05Å; M1001-F1009 HydrophobicContact SD-CG 4.49Å; E1005-F1009 PolarHBondContact O-N 3.16Å; F1006-F1009 HydrophobicContact CD2-CD1 4.35Å; F1006-F1009 HydrophobicContact CE2-CD1 4.27Å; F1006-F1009 WeakPolarHBondContact O-CB 3.37Å; F1006-F1009 PolarHBondContact O-N 3Å; F1006-F1009 VanDerWaalsContact O-N 3.17Å; F1009-K1011 PolarHBondContact O-N 3.32Å; F1009-T1012 WeakPolarHBondContact O-CB 3.29Å; F1009-T1012 PolarHBondContact O-N 2.99Å; F1009-L1013 HydrophobicContact CD1-CD1 3.98Å; F1009-L1013 HydrophobicContact CE1-CD1 3.42Å; F1009-L1013 VanDerWaalsContact CE1-CD1 3.42Å; F1009-L1013 HydrophobicContact CE1-CG 4.3Å; F1009-L1013 HydrophobicContact CZ-CD1 3.85Å; F1009-L1013 HydrophobicContact CZ-CG 4.46Å; F1009-L1013 PolarHBondContact O-N 2.91Å; F1009-L1013 VanDerWaalsContact O-N 3.09Å; F1009-I1080 HydrophobicContact CE1-CG2 3.81Å; F1009-I1080 HydrophobicContact CZ-CG2 3.97Å; F1009-L1084 HydrophobicContact CZ-CD1 4.26Å
1010C88.5Confident85.2Confident20 Ų2045 Ų4514%0.13522%0.224CC..Hα-helixtrans-63.8-39.3176.3-67.80000112.9F1006 I1007 T1012 L1013 Y1014 T1034F1006-C1010 VanDerWaalsContact CZ-SG 3.55Å; F1006-C1010 PolarHBondContact O-N 3.36Å; I1007-C1010 PolarHBondContact O-N 2.79Å; C1010-T1012 VanDerWaalsContact C-N 3.3Å; C1010-T1012 PolarHBondContact O-N 3.08Å; C1010-L1013 PolarHBondContact O-N 3.26Å; C1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; C1010-Y1014 PolarHBondContact O-N 3.29Å; C1010-T1034 PolarHBondContact SG-OG1 3.07Å
1011K86Confident85.1Confident99 Ų9946.4 Ų46.443%0.4324%0.239SC..Hα-helixtrans-61-40.3174.5-76174.8-178.3176.30112I1007 Q1008 F1009 Y1014 S1015I1007-K1011 HydrophobicContact CG2-CD 4.37Å; I1007-K1011 WeakPolarHBondContact O-CG 3.26Å; I1007-K1011 PolarHBondContact O-N 3.42Å; Q1008-K1011 PolarHBondContact O-N 3.16Å; F1009-K1011 PolarHBondContact O-N 3.32Å; K1011-Y1014 PolarHBondContact O-N 3.47Å; K1011-S1015 PolarHBondContact O-N 3.17Å
1012T87.2Confident85.1Confident7 Ų750.9 Ų50.94%0.04326%0.259CS..Hα-helixtrans-60.7-48.8175.7-69.70000111L887 H931 Q1008 F1009 C1010 Y1014 S1015 M1016L887-T1012 HydrophobicContact CD1-CG2 3.92Å; L887-T1012 HydrophobicContact CD2-CG2 3.73Å; L887-T1012 HydrophobicContact CG-CG2 4.4Å; H931-T1012 PolarHBondContact CE1-OG1 3.34Å; H931-T1012 WeakPolarHBondContact NE2-CB 3.45Å; H931-T1012 PolarHBondContact NE2-OG1 3.49Å; Q1008-T1012 PolarHBondContact O-N 3.49Å; Q1008-T1012 PolarHBondContact O-OG1 3.23Å; F1009-T1012 WeakPolarHBondContact O-CB 3.29Å; F1009-T1012 PolarHBondContact O-N 2.99Å; C1010-T1012 VanDerWaalsContact C-N 3.3Å; C1010-T1012 PolarHBondContact O-N 3.08Å; T1012-Y1014 VanDerWaalsContact C-N 3.35Å; T1012-Y1014 PolarHBondContact O-N 3.29Å; T1012-S1015 PolarHBondContact O-N 3.3Å; T1012-M1016 HydrophobicContact CG2-CE 3.42Å; T1012-M1016 VanDerWaalsContact CG2-CE 3.42Å; T1012-M1016 HydrophobicContact CG2-SD 4.06Å; T1012-M1016 WeakPolarHBondContact O-CG 3.3Å; T1012-M1016 PolarHBondContact O-N 3.34Å
1013L86.8Confident85Confident1 Ų151 Ų511%0.00526%0.259CS..Hα-helixtrans-59.2-46176.5-67.7178000111.6L927 F1009 C1010 S1015 M1016 F1017 I1030 L1084 F1094L927-L1013 HydrophobicContact CD1-CD2 4.16Å; F1009-L1013 HydrophobicContact CD1-CD1 3.98Å; F1009-L1013 HydrophobicContact CE1-CD1 3.42Å; F1009-L1013 VanDerWaalsContact CE1-CD1 3.42Å; F1009-L1013 HydrophobicContact CE1-CG 4.3Å; F1009-L1013 HydrophobicContact CZ-CD1 3.85Å; F1009-L1013 HydrophobicContact CZ-CG 4.46Å; F1009-L1013 PolarHBondContact O-N 2.91Å; F1009-L1013 VanDerWaalsContact O-N 3.09Å; C1010-L1013 PolarHBondContact O-N 3.26Å; L1013-S1015 VanDerWaalsContact C-N 3.32Å; L1013-S1015 PolarHBondContact O-N 3.1Å; L1013-M1016 WeakPolarHBondContact O-CB 3.31Å; L1013-M1016 PolarHBondContact O-N 2.98Å; L1013-M1016 VanDerWaalsContact O-N 3.08Å; L1013-F1017 HydrophobicContact CB-CE2 3.91Å; L1013-F1017 HydrophobicContact CB-CZ 3.9Å; L1013-F1017 HydrophobicContact CD2-CZ 4.22Å; L1013-F1017 WeakPolarHBondContact O-CD2 3.47Å; L1013-F1017 WeakPolarHBondContact O-CE2 3.35Å; L1013-F1017 VanDerWaalsContact O-CG 3.24Å; L1013-F1017 WeakPolarHBondContact O-CG 3.09Å; L1013-F1017 PolarHBondContact O-N 3.37Å; L1013-I1030 HydrophobicContact CB-CD1 4.29Å; L1013-I1030 HydrophobicContact CB-CG1 4.29Å; L1013-I1030 HydrophobicContact CD1-CD1 3.45Å; L1013-I1030 VanDerWaalsContact CD1-CD1 3.45Å; L1013-I1030 HydrophobicContact CD1-CG1 4.32Å; L1013-L1084 HydrophobicContact CD1-CD2 4.37Å; L1013-F1094 HydrophobicContact CD2-CE2 4.15Å; L1013-F1094 HydrophobicContact CD2-CZ 3.6Å
1014Y85.6Confident85.2Confident128 Ų12852.6 Ų52.650%0.50227%0.271SS..Hα-helixtrans-57.8-43.1175.8-166.9-88.7000112.4C1010 K1011 T1012 M1016 F1017 F1027C1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; C1010-Y1014 PolarHBondContact O-N 3.29Å; K1011-Y1014 PolarHBondContact O-N 3.47Å; T1012-Y1014 VanDerWaalsContact C-N 3.35Å; T1012-Y1014 PolarHBondContact O-N 3.29Å; Y1014-M1016 VanDerWaalsContact C-N 3.31Å; Y1014-M1016 PolarHBondContact O-N 3.49Å; Y1014-F1017 PolarHBondContact O-N 3.02Å; Y1014-F1027 HydrophobicContact CD1-CE1 4.04Å; Y1014-F1027 HydrophobicContact CD1-CZ 4.26Å; Y1014-F1027 AromaticContact CD2-CD1 3.41Å; Y1014-F1027 HydrophobicContact CD2-CD1 3.41Å; Y1014-F1027 VanDerWaalsContact CD2-CD1 3.41Å; Y1014-F1027 AromaticContact CD2-CE1 3.39Å; Y1014-F1027 HydrophobicContact CD2-CE1 3.39Å; Y1014-F1027 HydrophobicContact CD2-CG 4.2Å; Y1014-F1027 HydrophobicContact CD2-CZ 4.14Å; Y1014-F1027 HydrophobicContact CE1-CE1 4.01Å; Y1014-F1027 HydrophobicContact CE1-CE2 4.47Å; Y1014-F1027 AromaticContact CE1-CZ 3.84Å; Y1014-F1027 HydrophobicContact CE1-CZ 3.84Å; Y1014-F1027 HydrophobicContact CE2-CB 4.44Å; Y1014-F1027 AromaticContact CE2-CD1 3.32Å; Y1014-F1027 HydrophobicContact CE2-CD1 3.32Å; Y1014-F1027 AromaticContact CE2-CD2 4Å; Y1014-F1027 HydrophobicContact CE2-CD2 4Å; Y1014-F1027 AromaticContact CE2-CE1 3.35Å; Y1014-F1027 HydrophobicContact CE2-CE1 3.35Å; Y1014-F1027 AromaticContact CE2-CE2 3.98Å; Y1014-F1027 HydrophobicContact CE2-CE2 3.98Å; Y1014-F1027 AromaticContact CE2-CG 3.68Å; Y1014-F1027 HydrophobicContact CE2-CG 3.68Å; Y1014-F1027 AromaticContact CE2-CZ 3.69Å; Y1014-F1027 HydrophobicContact CE2-CZ 3.69Å; Y1014-F1027 HydrophobicContact CG-CD1 4.2Å; Y1014-F1027 AromaticContact CG-CE1 3.74Å; Y1014-F1027 HydrophobicContact CG-CE1 3.74Å; Y1014-F1027 HydrophobicContact CG-CZ 4.39Å; Y1014-F1027 AromaticContact CZ-CE1 3.67Å; Y1014-F1027 AromaticContact CZ-CE2 3.79Å; Y1014-F1027 AromaticContact CZ-CZ 3.52Å; Y1014-F1027 WeakPolarHBondContact O-CE1 3.38Å
1015S83.9Confident85.5Confident15 Ų1551.6 Ų51.611%0.10528%0.275CS..Hα-helixtrans-68.9-27.3177.5-173.70000113.6H883 K1011 T1012 L1013H883-S1015 PolarHBondContact CD2-OG 3.43Å; K1011-S1015 PolarHBondContact O-N 3.17Å; T1012-S1015 PolarHBondContact O-N 3.3Å; L1013-S1015 VanDerWaalsContact C-N 3.32Å; L1013-S1015 PolarHBondContact O-N 3.1Å
1016M85.2Confident85.5Confident8 Ų850.9 Ų50.94%0.03927%0.271CS..Hα-helixtrans-75.7-29.7178.9-74.7175.7177.900112.9W876 L887 L927 T1012 L1013 Y1014 H1018W876-M1016 HydrophobicContact CB-CB 4.5Å; W876-M1016 HydrophobicContact CB-CG 4.26Å; W876-M1016 HydrophobicContact CD2-CE 4.04Å; W876-M1016 HydrophobicContact CD2-SD 3.93Å; W876-M1016 HydrophobicContact CE3-CE 3.28Å; W876-M1016 HydrophobicContact CE3-SD 3.8Å; W876-M1016 HydrophobicContact CG-SD 4.34Å; W876-M1016 HydrophobicContact CH2-CE 4.28Å; W876-M1016 HydrophobicContact CZ3-CE 3.41Å; W876-M1016 VanDerWaalsContact CZ3-CE 3.41Å; W876-M1016 HydrophobicContact CZ3-SD 4.19Å; L887-M1016 HydrophobicContact CD1-CE 3.58Å; L927-M1016 HydrophobicContact CD2-CE 3.76Å; L927-M1016 HydrophobicContact CD2-SD 4.39Å; T1012-M1016 HydrophobicContact CG2-CE 3.42Å; T1012-M1016 VanDerWaalsContact CG2-CE 3.42Å; T1012-M1016 HydrophobicContact CG2-SD 4.06Å; T1012-M1016 WeakPolarHBondContact O-CG 3.3Å; T1012-M1016 PolarHBondContact O-N 3.34Å; L1013-M1016 WeakPolarHBondContact O-CB 3.31Å; L1013-M1016 PolarHBondContact O-N 2.98Å; L1013-M1016 VanDerWaalsContact O-N 3.08Å; Y1014-M1016 VanDerWaalsContact C-N 3.31Å; Y1014-M1016 PolarHBondContact O-N 3.49Å; M1016-H1018 VanDerWaalsContact C-N 3.33Å
1017F86.4Confident85.6Confident0 Ų052.3 Ų52.30%028%0.278CS..Hα-helixtrans-81.3-15.4-180-51.6-33.8000112.8L1013 Y1014 G1019 D1020 L1026 F1027 I1030 L1090 F1093L1013-F1017 HydrophobicContact CB-CE2 3.91Å; L1013-F1017 HydrophobicContact CB-CZ 3.9Å; L1013-F1017 HydrophobicContact CD2-CZ 4.22Å; L1013-F1017 WeakPolarHBondContact O-CD2 3.47Å; L1013-F1017 WeakPolarHBondContact O-CE2 3.35Å; L1013-F1017 VanDerWaalsContact O-CG 3.24Å; L1013-F1017 WeakPolarHBondContact O-CG 3.09Å; L1013-F1017 PolarHBondContact O-N 3.37Å; Y1014-F1017 PolarHBondContact O-N 3.02Å; F1017-G1019 PolarHBondContact O-N 2.82Å; F1017-D1020 WeakPolarHBondContact O-CB 3.32Å; F1017-D1020 PolarHBondContact O-N 2.99Å; F1017-L1026 HydrophobicContact CB-CB 4Å; F1017-L1026 HydrophobicContact CB-CD1 4Å; F1017-L1026 HydrophobicContact CD1-CB 4.24Å; F1017-L1026 HydrophobicContact CD1-CD1 3.92Å; F1017-L1026 HydrophobicContact CD1-CD2 4.49Å; F1017-L1026 HydrophobicContact CD1-CG 4.45Å; F1017-L1026 HydrophobicContact CD2-CB 3.79Å; F1017-L1026 HydrophobicContact CE2-CB 4.33Å; F1017-L1026 HydrophobicContact CG-CB 3.75Å; F1017-L1026 HydrophobicContact CG-CD1 4.03Å; F1017-L1026 HydrophobicContact CG-CG 4.4Å; F1017-F1027 HydrophobicContact CB-CD1 4.26Å; F1017-F1027 HydrophobicContact CB-CE1 3.82Å; F1017-F1027 HydrophobicContact CD2-CD1 4.12Å; F1017-F1027 HydrophobicContact CD2-CE1 4.28Å; F1017-I1030 HydrophobicContact CE2-CB 4.06Å; F1017-I1030 HydrophobicContact CE2-CG1 4.37Å; F1017-I1030 HydrophobicContact CE2-CG2 4.26Å; F1017-L1090 HydrophobicContact CE1-CD2 4.25Å; F1017-L1090 HydrophobicContact CE2-CD2 3.79Å; F1017-L1090 HydrophobicContact CZ-CD2 3.44Å; F1017-L1090 VanDerWaalsContact CZ-CD2 3.44Å; F1017-F1093 HydrophobicContact CD1-CD1 4.13Å; F1017-F1093 HydrophobicContact CD1-CD2 4.25Å; F1017-F1093 AromaticContact CD1-CE1 3.87Å; F1017-F1093 HydrophobicContact CD1-CE1 3.87Å; F1017-F1093 AromaticContact CD1-CE2 4Å; F1017-F1093 HydrophobicContact CD1-CE2 4Å; F1017-F1093 HydrophobicContact CD1-CG 4.31Å; F1017-F1093 AromaticContact CD1-CZ 3.8Å; F1017-F1093 HydrophobicContact CD1-CZ 3.8Å; F1017-F1093 AromaticContact CE1-CD1 3.69Å; F1017-F1093 HydrophobicContact CE1-CD1 3.69Å; F1017-F1093 AromaticContact CE1-CE1 3.67Å; F1017-F1093 HydrophobicContact CE1-CE1 3.67Å; F1017-F1093 HydrophobicContact CE1-CG 4.14Å; F1017-F1093 HydrophobicContact CE1-CZ 4.1Å
1018H81.4Confident85.8Confident93 Ų9354.7 Ų54.743%0.43129%0.287SS..THydrogen-bonded Turntrans-64.7121.6-176.4-161.664.7000111.9M1016 E1023M1016-H1018 VanDerWaalsContact C-N 3.33Å; H1018-E1023 IonicContact CE1-OE1 2.71Å; H1018-E1023 PolarHBondContact CE1-OE1 2.95Å; H1018-E1023 IonicContact CG-OE1 3.61Å; H1018-E1023 IonicContact ND1-OE1 2.62Å; H1018-E1023 PolarHBondContact ND1-OE1 2.92Å; H1018-E1023 IonicContact ND1-OE2 2.96Å
1019G73.5Confident86Confident57 Ų5752.6 Ų52.659%0.58828%0.278SS*.THydrogen-bonded Turntrans86.44-175.700000115F1017 E1023F1017-G1019 PolarHBondContact O-N 2.82Å; G1019-E1023 PolarHBondContact N-OE2 3.49Å
1020D82.5Confident86Confident16 Ų1653 Ų539%0.08628%0.28CS..  trans-75.6143.1167.5-168.1-83.1000110.7F1017 E1022 E1023 L1026 F1093 K1096F1017-D1020 WeakPolarHBondContact O-CB 3.32Å; F1017-D1020 PolarHBondContact O-N 2.99Å; D1020-E1022 PolarHBondContact O-N 2.63Å; D1020-E1022 VanDerWaalsContact O-N 3.16Å; D1020-E1022 PolarHBondContact OD1-N 3.37Å; D1020-E1023 WeakPolarHBondContact O-CB 3.46Å; D1020-E1023 PolarHBondContact O-N 2.9Å; D1020-E1023 VanDerWaalsContact O-N 3.08Å; D1020-L1026 HydrophobicContact CB-CD1 4.14Å; D1020-F1093 HydrophobicContact CB-CE2 4.49Å; D1020-K1096 IonicContact OD2-NZ 3.54Å
1021P83.2Confident85.9Confident123 Ų12354.1 Ų54.180%0.79929%0.291SS*.THydrogen-bonded Turntrans-55.8-28.4175.9-26.635.4000114.7
1022E86.3Confident85.9Confident94 Ų9452.3 Ų52.344%0.43929%0.288SS..THydrogen-bonded Turntrans-101.119-179.8-59.5-177.2157.800112.3D1020 N1024 D1025 L1026D1020-E1022 PolarHBondContact O-N 2.63Å; D1020-E1022 VanDerWaalsContact O-N 3.16Å; D1020-E1022 PolarHBondContact OD1-N 3.37Å; E1022-N1024 VanDerWaalsContact C-N 3.26Å; E1022-N1024 PolarHBondContact O-N 2.78Å; E1022-N1024 VanDerWaalsContact O-N 3.1Å; E1022-D1025 PolarHBondContact O-N 3.21Å; E1022-L1026 HydrophobicContact CB-CD1 4.45Å; E1022-L1026 WeakPolarHBondContact O-CG 3.27Å; E1022-L1026 PolarHBondContact O-N 3.39Å
1023E87.3Confident85.9Confident38 Ų3852.2 Ų52.218%0.17829%0.287CS..Hα-helixtrans-49.3-40.7-174.6174.5175.1-176.300114.1H1018 G1019 D1020 L1026 F1027H1018-E1023 IonicContact CE1-OE1 2.71Å; H1018-E1023 PolarHBondContact CE1-OE1 2.95Å; H1018-E1023 IonicContact CG-OE1 3.61Å; H1018-E1023 IonicContact ND1-OE1 2.62Å; H1018-E1023 PolarHBondContact ND1-OE1 2.92Å; H1018-E1023 IonicContact ND1-OE2 2.96Å; G1019-E1023 PolarHBondContact N-OE2 3.49Å; D1020-E1023 WeakPolarHBondContact O-CB 3.46Å; D1020-E1023 PolarHBondContact O-N 2.9Å; D1020-E1023 VanDerWaalsContact O-N 3.08Å; E1023-L1026 PolarHBondContact O-N 3.25Å; E1023-F1027 HydrophobicContact CG-CD2 3.75Å; E1023-F1027 HydrophobicContact CG-CE1 4.24Å; E1023-F1027 HydrophobicContact CG-CE2 3.18Å; E1023-F1027 HydrophobicContact CG-CG 4.49Å; E1023-F1027 HydrophobicContact CG-CZ 3.46Å; E1023-F1027 VanDerWaalsContact CG-CZ 3.46Å; E1023-F1027 WeakPolarHBondContact O-CB 3.39Å; E1023-F1027 VanDerWaalsContact O-CD2 3.31Å; E1023-F1027 WeakPolarHBondContact O-CD2 3.34Å; E1023-F1027 WeakPolarHBondContact O-CG 3.11Å; E1023-F1027 PolarHBondContact O-N 2.86Å; E1023-F1027 WeakPolarHBondContact OE1-CE2 3.42Å; E1023-F1027 WeakPolarHBondContact OE1-CZ 3.44Å
1024N86.9Confident85.9Confident131 Ų13153.7 Ų53.770%0.70130%0.297SS*.Hα-helixtrans-66.2-41.6179.5-70-35.9000112.8E1022 F1027 Q1028E1022-N1024 VanDerWaalsContact C-N 3.26Å; E1022-N1024 PolarHBondContact O-N 2.78Å; E1022-N1024 VanDerWaalsContact O-N 3.1Å; N1024-F1027 PolarHBondContact O-N 3.35Å; N1024-Q1028 PolarHBondContact O-N 3.33Å
1025D88.3Confident85.9Confident105 Ų10550.8 Ų50.856%0.56130%0.295SS*.Hα-helixtrans-71.5-37.7-179.1-64.2-24.7000110E1022 Q1028 A1029E1022-D1025 PolarHBondContact O-N 3.21Å; D1025-Q1028 PolarHBondContact O-N 3.01Å; D1025-A1029 WeakPolarHBondContact O-CB 3.27Å; D1025-A1029 PolarHBondContact O-N 3.16Å
1026L89.3Confident85.9Confident0 Ų051.2 Ų51.20%030%0.296CS..Hα-helixtrans-64.2-39.7173.6-65.9168.1000112.4F1017 D1020 E1022 E1023 A1029 I1030 A1089 L1090 F1093F1017-L1026 HydrophobicContact CB-CB 4Å; F1017-L1026 HydrophobicContact CB-CD1 4Å; F1017-L1026 HydrophobicContact CD1-CB 4.24Å; F1017-L1026 HydrophobicContact CD1-CD1 3.92Å; F1017-L1026 HydrophobicContact CD1-CD2 4.49Å; F1017-L1026 HydrophobicContact CD1-CG 4.45Å; F1017-L1026 HydrophobicContact CD2-CB 3.79Å; F1017-L1026 HydrophobicContact CE2-CB 4.33Å; F1017-L1026 HydrophobicContact CG-CB 3.75Å; F1017-L1026 HydrophobicContact CG-CD1 4.03Å; F1017-L1026 HydrophobicContact CG-CG 4.4Å; D1020-L1026 HydrophobicContact CB-CD1 4.14Å; E1022-L1026 HydrophobicContact CB-CD1 4.45Å; E1022-L1026 WeakPolarHBondContact O-CG 3.27Å; E1022-L1026 PolarHBondContact O-N 3.39Å; E1023-L1026 PolarHBondContact O-N 3.25Å; L1026-A1029 PolarHBondContact O-N 3.22Å; L1026-I1030 WeakPolarHBondContact O-CG2 3.32Å; L1026-I1030 PolarHBondContact O-N 2.77Å; L1026-A1089 HydrophobicContact CD2-CB 4.27Å; L1026-A1089 WeakPolarHBondContact CD2-O 3.08Å; L1026-L1090 HydrophobicContact CD2-CD2 4.04Å; L1026-F1093 HydrophobicContact CD1-CD2 3.7Å; L1026-F1093 HydrophobicContact CD1-CE2 4.24Å; L1026-F1093 HydrophobicContact CD1-CG 4.33Å; L1026-F1093 HydrophobicContact CD2-CB 3.74Å; L1026-F1093 HydrophobicContact CD2-CD2 4.38Å; L1026-F1093 HydrophobicContact CD2-CG 4.22Å
1027F89.9Confident85.8Confident34 Ų3450.9 Ų50.915%0.14929%0.294CS..Hα-helixtrans-67.3-36.2174.9-70.7-24.1000113.4Y1014 F1017 E1023 N1024 I1030 A1031Y1014-F1027 HydrophobicContact CD1-CE1 4.04Å; Y1014-F1027 HydrophobicContact CD1-CZ 4.26Å; Y1014-F1027 AromaticContact CD2-CD1 3.41Å; Y1014-F1027 HydrophobicContact CD2-CD1 3.41Å; Y1014-F1027 VanDerWaalsContact CD2-CD1 3.41Å; Y1014-F1027 AromaticContact CD2-CE1 3.39Å; Y1014-F1027 HydrophobicContact CD2-CE1 3.39Å; Y1014-F1027 HydrophobicContact CD2-CG 4.2Å; Y1014-F1027 HydrophobicContact CD2-CZ 4.14Å; Y1014-F1027 HydrophobicContact CE1-CE1 4.01Å; Y1014-F1027 HydrophobicContact CE1-CE2 4.47Å; Y1014-F1027 AromaticContact CE1-CZ 3.84Å; Y1014-F1027 HydrophobicContact CE1-CZ 3.84Å; Y1014-F1027 HydrophobicContact CE2-CB 4.44Å; Y1014-F1027 AromaticContact CE2-CD1 3.32Å; Y1014-F1027 HydrophobicContact CE2-CD1 3.32Å; Y1014-F1027 AromaticContact CE2-CD2 4Å; Y1014-F1027 HydrophobicContact CE2-CD2 4Å; Y1014-F1027 AromaticContact CE2-CE1 3.35Å; Y1014-F1027 HydrophobicContact CE2-CE1 3.35Å; Y1014-F1027 AromaticContact CE2-CE2 3.98Å; Y1014-F1027 HydrophobicContact CE2-CE2 3.98Å; Y1014-F1027 AromaticContact CE2-CG 3.68Å; Y1014-F1027 HydrophobicContact CE2-CG 3.68Å; Y1014-F1027 AromaticContact CE2-CZ 3.69Å; Y1014-F1027 HydrophobicContact CE2-CZ 3.69Å; Y1014-F1027 HydrophobicContact CG-CD1 4.2Å; Y1014-F1027 AromaticContact CG-CE1 3.74Å; Y1014-F1027 HydrophobicContact CG-CE1 3.74Å; Y1014-F1027 HydrophobicContact CG-CZ 4.39Å; Y1014-F1027 AromaticContact CZ-CE1 3.67Å; Y1014-F1027 AromaticContact CZ-CE2 3.79Å; Y1014-F1027 AromaticContact CZ-CZ 3.52Å; Y1014-F1027 WeakPolarHBondContact O-CE1 3.38Å; F1017-F1027 HydrophobicContact CB-CD1 4.26Å; F1017-F1027 HydrophobicContact CB-CE1 3.82Å; F1017-F1027 HydrophobicContact CD2-CD1 4.12Å; F1017-F1027 HydrophobicContact CD2-CE1 4.28Å; E1023-F1027 HydrophobicContact CG-CD2 3.75Å; E1023-F1027 HydrophobicContact CG-CE1 4.24Å; E1023-F1027 HydrophobicContact CG-CE2 3.18Å; E1023-F1027 HydrophobicContact CG-CG 4.49Å; E1023-F1027 HydrophobicContact CG-CZ 3.46Å; E1023-F1027 VanDerWaalsContact CG-CZ 3.46Å; E1023-F1027 WeakPolarHBondContact O-CB 3.39Å; E1023-F1027 VanDerWaalsContact O-CD2 3.31Å; E1023-F1027 WeakPolarHBondContact O-CD2 3.34Å; E1023-F1027 WeakPolarHBondContact O-CG 3.11Å; E1023-F1027 PolarHBondContact O-N 2.86Å; E1023-F1027 WeakPolarHBondContact OE1-CE2 3.42Å; E1023-F1027 WeakPolarHBondContact OE1-CZ 3.44Å; N1024-F1027 PolarHBondContact O-N 3.35Å; F1027-I1030 WeakPolarHBondContact O-CG2 3.36Å; F1027-A1031 WeakPolarHBondContact O-CB 3.22Å; F1027-A1031 PolarHBondContact O-N 3.33Å
1028Q89.4Confident85.6Confident130 Ų13053.3 Ų53.361%0.60731%0.307SS*.Hα-helixtrans-68.2-47174.4-173.66128.500110.7N1024 D1025 I1030 A1031 T1032N1024-Q1028 PolarHBondContact O-N 3.33Å; D1025-Q1028 PolarHBondContact O-N 3.01Å; Q1028-I1030 PolarHBondContact O-N 3.3Å; Q1028-A1031 WeakPolarHBondContact O-CB 3.16Å; Q1028-A1031 PolarHBondContact O-N 2.98Å; Q1028-T1032 PolarHBondContact O-N 3.47Å; Q1028-T1032 VanDerWaalsContact O-N 3.11Å; Q1028-T1032 PolarHBondContact O-OG1 3.47Å
1029A88.6Confident85.5Confident3 Ų353.7 Ų53.73%0.02531%0.309CS..Hα-helixtrans-58.1-47.7178.200000112D1025 L1026 A1031 T1032 V1033 E1087 A1089 L1090D1025-A1029 WeakPolarHBondContact O-CB 3.27Å; D1025-A1029 PolarHBondContact O-N 3.16Å; L1026-A1029 PolarHBondContact O-N 3.22Å; A1029-A1031 VanDerWaalsContact C-N 3.29Å; A1029-A1031 PolarHBondContact O-N 3.36Å; A1029-T1032 WeakPolarHBondContact O-CB 3.47Å; A1029-T1032 PolarHBondContact O-N 2.85Å; A1029-T1032 VanDerWaalsContact O-N 3.16Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.13Å; A1029-V1033 PolarHBondContact O-N 2.97Å; A1029-E1087 HydrophobicContact CB-CB 3.98Å; A1029-E1087 HydrophobicContact CB-CG 4.05Å; A1029-A1089 HydrophobicContact CB-CB 4.17Å; A1029-L1090 HydrophobicContact CB-CD1 4.14Å; A1029-L1090 HydrophobicContact CB-CD2 4.31Å; A1029-L1090 HydrophobicContact CB-CG 3.84Å
1030I90.3Very high85.7Confident11 Ų1152.3 Ų52.36%0.05629%0.288CS..Hα-helixtrans-66.6-29.4179.4-165.556.5000112.9L1013 F1017 L1026 F1027 Q1028 V1033 T1034 L1084 L1090L1013-I1030 HydrophobicContact CB-CD1 4.29Å; L1013-I1030 HydrophobicContact CB-CG1 4.29Å; L1013-I1030 HydrophobicContact CD1-CD1 3.45Å; L1013-I1030 VanDerWaalsContact CD1-CD1 3.45Å; L1013-I1030 HydrophobicContact CD1-CG1 4.32Å; F1017-I1030 HydrophobicContact CE2-CB 4.06Å; F1017-I1030 HydrophobicContact CE2-CG1 4.37Å; F1017-I1030 HydrophobicContact CE2-CG2 4.26Å; L1026-I1030 WeakPolarHBondContact O-CG2 3.32Å; L1026-I1030 PolarHBondContact O-N 2.77Å; F1027-I1030 WeakPolarHBondContact O-CG2 3.36Å; Q1028-I1030 PolarHBondContact O-N 3.3Å; I1030-V1033 HydrophobicContact CD1-CB 4.4Å; I1030-T1034 VanDerWaalsContact O-CB 3.26Å; I1030-T1034 WeakPolarHBondContact O-CB 3.29Å; I1030-T1034 PolarHBondContact O-N 3.16Å; I1030-T1034 PolarHBondContact O-OG1 2.76Å; I1030-L1084 HydrophobicContact CD1-CD2 4.29Å; I1030-L1090 HydrophobicContact CD1-CD1 4.36Å
1031A86.3Confident85.2Confident44 Ų4451.7 Ų51.736%0.36429%0.285SS..Hα-helixtrans-67.3-39.6173.700000111.8F1027 Q1028 A1029 S1035F1027-A1031 WeakPolarHBondContact O-CB 3.22Å; F1027-A1031 PolarHBondContact O-N 3.33Å; Q1028-A1031 WeakPolarHBondContact O-CB 3.16Å; Q1028-A1031 PolarHBondContact O-N 2.98Å; A1029-A1031 VanDerWaalsContact C-N 3.29Å; A1029-A1031 PolarHBondContact O-N 3.36Å; A1031-S1035 PolarHBondContact O-N 3.17Å; A1031-S1035 VanDerWaalsContact O-N 3.08Å; A1031-S1035 PolarHBondContact O-OG 3.42Å
1032T86.3Confident84.8Confident61 Ų6150.5 Ų50.537%0.37427%0.269SS..Hα-helixtrans-62.1-51.7172.9-50.80000110.8Q1028 A1029 T1034 S1035 L1036 E1087Q1028-T1032 PolarHBondContact O-N 3.47Å; Q1028-T1032 VanDerWaalsContact O-N 3.11Å; Q1028-T1032 PolarHBondContact O-OG1 3.47Å; A1029-T1032 WeakPolarHBondContact O-CB 3.47Å; A1029-T1032 PolarHBondContact O-N 2.85Å; A1029-T1032 VanDerWaalsContact O-N 3.16Å; T1032-T1034 VanDerWaalsContact C-N 3.34Å; T1032-T1034 PolarHBondContact O-N 3.16Å; T1032-S1035 PolarHBondContact O-N 2.64Å; T1032-L1036 PolarHBondContact O-N 2.67Å; T1032-E1087 WeakPolarHBondContact CB-OE1 3.34Å; T1032-E1087 VanDerWaalsContact CG2-OE1 3.28Å; T1032-E1087 WeakPolarHBondContact CG2-OE1 3.32Å
1033V86.7Confident83.9Confident4 Ų448.4 Ų48.42%0.02427%0.267CS..Hα-helixtrans-58.8-44.5177.8176.70000111.7A1029 I1030 S1035 L1036 V1037 S1083 L1084 E1087 L1090A1029-V1033 WeakPolarHBondContact O-CG2 3.13Å; A1029-V1033 PolarHBondContact O-N 2.97Å; I1030-V1033 HydrophobicContact CD1-CB 4.4Å; V1033-S1035 VanDerWaalsContact C-N 3.3Å; V1033-S1035 PolarHBondContact O-N 2.95Å; V1033-L1036 PolarHBondContact O-N 2.8Å; V1033-V1037 HydrophobicContact CG1-CG2 4.13Å; V1033-V1037 WeakPolarHBondContact O-CB 3.19Å; V1033-V1037 VanDerWaalsContact O-CG2 3.31Å; V1033-V1037 WeakPolarHBondContact O-CG2 3.3Å; V1033-V1037 PolarHBondContact O-N 3.1Å; V1033-S1083 VanDerWaalsContact CG2-O 3.27Å; V1033-S1083 WeakPolarHBondContact CG2-O 3.28Å; V1033-L1084 HydrophobicContact CG1-CD2 3.9Å; V1033-L1084 HydrophobicContact CG1-CG 4.16Å; V1033-L1084 HydrophobicContact CG2-CD2 4.4Å; V1033-E1087 HydrophobicContact CG2-CB 4.27Å; V1033-E1087 HydrophobicContact CG2-CG 3.59Å; V1033-L1090 HydrophobicContact CG2-CD1 3.68Å
1034T87.4Confident82.7Confident33 Ų3347.9 Ų47.920%0.20227%0.272CS..Hα-helixtrans-61.2-41.9-179.9-58.90000111F1006 C1010 I1030 T1032 L1038F1006-T1034 HydrophobicContact CE1-CG2 4.08Å; F1006-T1034 HydrophobicContact CZ-CG2 4.46Å; C1010-T1034 PolarHBondContact SG-OG1 3.07Å; I1030-T1034 VanDerWaalsContact O-CB 3.26Å; I1030-T1034 WeakPolarHBondContact O-CB 3.29Å; I1030-T1034 PolarHBondContact O-N 3.16Å; I1030-T1034 PolarHBondContact O-OG1 2.76Å; T1032-T1034 VanDerWaalsContact C-N 3.34Å; T1032-T1034 PolarHBondContact O-N 3.16Å; T1034-L1038 HydrophobicContact CG2-CD1 4.12Å; T1034-L1038 WeakPolarHBondContact O-CB 3.5Å; T1034-L1038 VanDerWaalsContact O-CG 3.27Å; T1034-L1038 WeakPolarHBondContact O-CG 3.47Å; T1034-L1038 PolarHBondContact O-N 2.68Å
1035S85.6Confident81.4Confident66 Ų6644.6 Ų44.646%0.46225%0.253SS..Hα-helixtrans-65.2-43.5177.6-57.40000111.6A1031 T1032 V1033 L1038 Q1039A1031-S1035 PolarHBondContact O-N 3.17Å; A1031-S1035 VanDerWaalsContact O-N 3.08Å; A1031-S1035 PolarHBondContact O-OG 3.42Å; T1032-S1035 PolarHBondContact O-N 2.64Å; V1033-S1035 VanDerWaalsContact C-N 3.3Å; V1033-S1035 PolarHBondContact O-N 2.95Å; S1035-L1038 PolarHBondContact O-N 3.23Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; S1035-Q1039 PolarHBondContact O-N 3.48Å; S1035-Q1039 VanDerWaalsContact O-N 3.14Å
1036L82.6Confident79.9Confident25 Ų2547.6 Ų47.613%0.13126%0.256CS..Hα-helixtrans-62.6-46.6178-171.668.2000111.4L979 T1032 V1033 L1038 Q1039 I1040L979-L1036 HydrophobicContact CD1-CD2 4.45Å; L979-L1036 HydrophobicContact CD2-CD2 4.44Å; T1032-L1036 PolarHBondContact O-N 2.67Å; V1033-L1036 PolarHBondContact O-N 2.8Å; L1036-L1038 PolarHBondContact O-N 3.48Å; L1036-Q1039 PolarHBondContact O-N 3.5Å; L1036-I1040 HydrophobicContact CG-CD1 4.01Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.29Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.28Å; L1036-I1040 PolarHBondContact O-N 3.32Å
1037V84.3Confident78.2Confident0 Ų054.5 Ų54.50%029%0.288CS..Hα-helixtrans-64.6-41.4179.4172.80000112.2F1006 V1033 Q1039 I1040 G1041 W1073 V1075 I1080 S1083F1006-V1037 HydrophobicContact CD1-CG1 4.43Å; F1006-V1037 HydrophobicContact CD2-CG1 4.23Å; F1006-V1037 HydrophobicContact CE1-CB 4.15Å; F1006-V1037 HydrophobicContact CE1-CG1 3.8Å; F1006-V1037 HydrophobicContact CE2-CB 4.15Å; F1006-V1037 HydrophobicContact CE2-CG1 3.57Å; F1006-V1037 HydrophobicContact CE2-CG2 4.43Å; F1006-V1037 HydrophobicContact CZ-CB 3.56Å; F1006-V1037 HydrophobicContact CZ-CG1 3.33Å; F1006-V1037 HydrophobicContact CZ-CG2 4.15Å; V1033-V1037 HydrophobicContact CG1-CG2 4.13Å; V1033-V1037 WeakPolarHBondContact O-CB 3.19Å; V1033-V1037 VanDerWaalsContact O-CG2 3.31Å; V1033-V1037 WeakPolarHBondContact O-CG2 3.3Å; V1033-V1037 PolarHBondContact O-N 3.1Å; V1037-Q1039 PolarHBondContact O-N 3.16Å; V1037-I1040 PolarHBondContact O-N 3.35Å; V1037-G1041 PolarHBondContact O-N 3.43Å; V1037-W1073 HydrophobicContact CG1-CH2 4.07Å; V1037-W1073 HydrophobicContact CG1-CZ2 4.17Å; V1037-V1075 HydrophobicContact CG1-CB 4.31Å; V1037-V1075 HydrophobicContact CG1-CG1 4.39Å; V1037-V1075 HydrophobicContact CG1-CG2 3.75Å; V1037-I1080 HydrophobicContact CG1-CG1 4.43Å; V1037-S1083 WeakPolarHBondContact CG2-OG 3.47Å
1038L82.4Confident76.4Confident51 Ų5158.5 Ų58.527%0.26731%0.308SS..Hα-helixtrans-59.5-45.4175.4-74.5171.1000111.6F1006 T1034 S1035 L1036 I1040 G1041 E1042 W1073F1006-L1038 HydrophobicContact CD1-CD2 4.45Å; F1006-L1038 HydrophobicContact CE1-CD2 4.4Å; F1006-L1038 HydrophobicContact CE1-CG 4.32Å; T1034-L1038 HydrophobicContact CG2-CD1 4.12Å; T1034-L1038 WeakPolarHBondContact O-CB 3.5Å; T1034-L1038 VanDerWaalsContact O-CG 3.27Å; T1034-L1038 WeakPolarHBondContact O-CG 3.47Å; T1034-L1038 PolarHBondContact O-N 2.68Å; S1035-L1038 PolarHBondContact O-N 3.23Å; L1036-L1038 PolarHBondContact O-N 3.48Å; L1038-I1040 PolarHBondContact O-N 2.9Å; L1038-G1041 PolarHBondContact O-N 2.93Å; L1038-E1042 WeakPolarHBondContact O-CB 3.25Å; L1038-E1042 WeakPolarHBondContact O-CG 3.17Å; L1038-E1042 PolarHBondContact O-N 3.43Å; L1038-W1073 HydrophobicContact CD2-CH2 4.41Å; L1038-W1073 HydrophobicContact CD2-CZ2 3.86Å; L1038-W1073 PolarHBondContact O-NE1 3.43Å
1039Q78Confident74.5Confident102 Ų10254.7 Ų54.748%0.47729%0.293SS..Hα-helixtrans-62-40.4176-71176.1400112.5S1035 L1036 V1037 E1042 A1043S1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; S1035-Q1039 PolarHBondContact O-N 3.48Å; S1035-Q1039 VanDerWaalsContact O-N 3.14Å; L1036-Q1039 PolarHBondContact O-N 3.5Å; V1037-Q1039 PolarHBondContact O-N 3.16Å; Q1039-E1042 PolarHBondContact O-N 2.81Å; Q1039-A1043 WeakPolarHBondContact O-CB 3.15Å; Q1039-A1043 PolarHBondContact O-N 3.39Å
1040I77.8Confident72.6Confident28 Ų2861.5 Ų61.514%0.14432%0.322CS..Hα-helixtrans-64-45.9177.2-66.8158.6000111L979 L1036 V1037 L1038 A1043 G1044 Q1079L979-I1040 HydrophobicContact CD2-CD1 3.39Å; L979-I1040 HydrophobicContact CD2-CG1 4.07Å; L1036-I1040 HydrophobicContact CG-CD1 4.01Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.29Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.28Å; L1036-I1040 PolarHBondContact O-N 3.32Å; V1037-I1040 PolarHBondContact O-N 3.35Å; L1038-I1040 PolarHBondContact O-N 2.9Å; I1040-A1043 PolarHBondContact O-N 3.41Å; I1040-G1044 PolarHBondContact O-N 3.35Å; I1040-Q1079 HydrophobicContact CG2-CB 4.36Å; I1040-Q1079 HydrophobicContact CG2-CG 3.99Å
1041G72.7Confident70.5Confident3 Ų364.1 Ų64.13%0.03135%0.345CS..Hα-helixtrans-67.2-35.3178.500000112.8V1037 L1038 G1044 H1045 W1073V1037-G1041 PolarHBondContact O-N 3.43Å; L1038-G1041 PolarHBondContact O-N 2.93Å; G1041-G1044 PolarHBondContact O-N 2.91Å; G1041-H1045 WeakPolarHBondContact O-CB 3.28Å; G1041-H1045 PolarHBondContact O-N 3.47Å; G1041-W1073 VanDerWaalsContact C-CD1 3.46Å; G1041-W1073 VanDerWaalsContact C-NE1 3.3Å; G1041-W1073 VanDerWaalsContact CA-NE1 3.31Å
1042E74.9Confident68.6Low98 Ų9865.9 Ų65.946%0.45836%0.355SS..Hα-helixtrans-66.4-36.7172.5-74.7178.7-169.900112.5L1038 Q1039 R1046L1038-E1042 WeakPolarHBondContact O-CB 3.25Å; L1038-E1042 WeakPolarHBondContact O-CG 3.17Å; L1038-E1042 PolarHBondContact O-N 3.43Å; Q1039-E1042 PolarHBondContact O-N 2.81Å; E1042-R1046 WeakPolarHBondContact O-CG 3.31Å; E1042-R1046 PolarHBondContact O-N 3.03Å
1043A66.1Low66.7Low49 Ų4970.6 Ų70.641%0.40537%0.373SS..Hα-helixtrans-68.3-43.3175.700000112Q1039 I1040 H1045 R1046 E1047Q1039-A1043 WeakPolarHBondContact O-CB 3.15Å; Q1039-A1043 PolarHBondContact O-N 3.39Å; I1040-A1043 PolarHBondContact O-N 3.41Å; A1043-H1045 VanDerWaalsContact C-N 3.33Å; A1043-H1045 PolarHBondContact O-N 3.16Å; A1043-R1046 PolarHBondContact O-N 3.41Å; A1043-E1047 PolarHBondContact O-N 3.42Å
1044G62.2Low64.5Low27 Ų2778.5 Ų78.528%0.27841%0.409SS..Hα-helixtrans-62.4-38.6174.700000112.7I1040 G1041 E1047 Q1048I1040-G1044 PolarHBondContact O-N 3.35Å; G1041-G1044 PolarHBondContact O-N 2.91Å; G1044-E1047 PolarHBondContact O-N 3.15Å; G1044-Q1048 PolarHBondContact O-N 3.2Å; G1044-Q1048 VanDerWaalsContact O-N 3.12Å
1045H60.6Low62.1Low62 Ų6285.7 Ų85.729%0.28744%0.438SS..Hα-helixtrans-61-48.1171.4-174.9-55.9000111.2G1041 A1043 E1047 Q1048 T1049 D1071G1041-H1045 WeakPolarHBondContact O-CB 3.28Å; G1041-H1045 PolarHBondContact O-N 3.47Å; A1043-H1045 VanDerWaalsContact C-N 3.33Å; A1043-H1045 PolarHBondContact O-N 3.16Å; H1045-E1047 VanDerWaalsContact C-N 3.27Å; H1045-E1047 PolarHBondContact O-N 3.37Å; H1045-Q1048 PolarHBondContact O-N 3.41Å; H1045-T1049 PolarHBondContact CE1-OG1 3.06Å; H1045-T1049 PolarHBondContact ND1-OG1 3.05Å; H1045-T1049 VanDerWaalsContact ND1-OG1 3.08Å; H1045-T1049 PolarHBondContact O-N 3.37Å; H1045-T1049 PolarHBondContact O-OG1 2.91Å; H1045-D1071 PolarHBondContact NE2-O 3.25Å
1046R56.7Low59.9Low169 Ų16988.6 Ų88.664%0.63846%0.455SS*.Hα-helixtrans-61.7-31.1179-75.6176.4-176.9176.25.7113.5E1042 A1043 K1050E1042-R1046 WeakPolarHBondContact O-CG 3.31Å; E1042-R1046 PolarHBondContact O-N 3.03Å; A1043-R1046 PolarHBondContact O-N 3.41Å; R1046-K1050 VanDerWaalsContact O-CG 3.31Å; R1046-K1050 WeakPolarHBondContact O-CG 3.48Å; R1046-K1050 PolarHBondContact O-N 3.19Å
1047E53.8Low57.7Low145 Ų14592.2 Ų92.268%0.67849%0.488SS*.Hα-helixtrans-73.8-37.8174.9-73.5-175.5168.400112.3A1043 G1044 H1045 K1050 A1051A1043-E1047 PolarHBondContact O-N 3.42Å; G1044-E1047 PolarHBondContact O-N 3.15Å; H1045-E1047 VanDerWaalsContact C-N 3.27Å; H1045-E1047 PolarHBondContact O-N 3.37Å; E1047-K1050 PolarHBondContact O-N 2.91Å; E1047-A1051 WeakPolarHBondContact O-CB 3.41Å; E1047-A1051 PolarHBondContact O-N 3.41Å
1048Q51.4Low55.2Low118 Ų118101.8 Ų101.855%0.55153%0.53SS*.Hα-helixtrans-71-37175.5-74178.6-300112.8G1044 H1045 K1050 A1051 S1052G1044-Q1048 PolarHBondContact O-N 3.2Å; G1044-Q1048 VanDerWaalsContact O-N 3.12Å; H1045-Q1048 PolarHBondContact O-N 3.41Å; Q1048-K1050 VanDerWaalsContact C-N 3.33Å; Q1048-K1050 PolarHBondContact O-N 2.64Å; Q1048-A1051 PolarHBondContact O-N 2.89Å; Q1048-S1052 PolarHBondContact O-N 3.49Å; Q1048-S1052 VanDerWaalsContact O-N 3.13Å; Q1048-S1052 PolarHBondContact O-OG 3.19Å
1049T50Low53.4Low49 Ų49105.2 Ų105.230%0.30156%0.556SS.*Hα-helixtrans-65.8-34.7173.6-36.80000111.7H1045 S1052 E1053H1045-T1049 PolarHBondContact CE1-OG1 3.06Å; H1045-T1049 PolarHBondContact ND1-OG1 3.05Å; H1045-T1049 VanDerWaalsContact ND1-OG1 3.08Å; H1045-T1049 PolarHBondContact O-N 3.37Å; H1045-T1049 PolarHBondContact O-OG1 2.91Å; T1049-S1052 WeakPolarHBondContact CA-OG 3.48Å; T1049-S1052 PolarHBondContact O-OG 3.39Å; T1049-E1053 PolarHBondContact O-N 3.04Å
1050K48.1Very low51.1Low147 Ų147107.1 Ų107.164%0.63957%0.574SS**Hα-helixtrans-72.3-36.3173.8-77.1177179.3-179.60113.1R1046 E1047 Q1048 S1052 E1053R1046-K1050 VanDerWaalsContact O-CG 3.31Å; R1046-K1050 WeakPolarHBondContact O-CG 3.48Å; R1046-K1050 PolarHBondContact O-N 3.19Å; E1047-K1050 PolarHBondContact O-N 2.91Å; Q1048-K1050 VanDerWaalsContact C-N 3.33Å; Q1048-K1050 PolarHBondContact O-N 2.64Å; K1050-S1052 VanDerWaalsContact C-N 3.29Å; K1050-S1052 PolarHBondContact O-N 3.03Å; K1050-E1053 PolarHBondContact O-N 3.11Å
1051A46.1Very low49.2Very low65 Ų65110.9 Ų110.954%0.53760%0.6SS.*Hα-helixtrans-71.6-22.7177.900000113.5E1047 Q1048E1047-A1051 WeakPolarHBondContact O-CB 3.41Å; E1047-A1051 PolarHBondContact O-N 3.41Å; Q1048-A1051 PolarHBondContact O-N 2.89Å
1052S46.6Very low47.4Very low81 Ų81118.1 Ų118.157%0.56664%0.637SS**Hα-helixtrans-84.4-18.3174.633.50000113.4Q1048 T1049 K1050Q1048-S1052 PolarHBondContact O-N 3.49Å; Q1048-S1052 VanDerWaalsContact O-N 3.13Å; Q1048-S1052 PolarHBondContact O-OG 3.19Å; T1049-S1052 WeakPolarHBondContact CA-OG 3.48Å; T1049-S1052 PolarHBondContact O-OG 3.39Å; K1050-S1052 VanDerWaalsContact C-N 3.29Å; K1050-S1052 PolarHBondContact O-N 3.03Å
1053E47.2Very low45.2Very low160 Ų160119.3 Ų119.375%0.74866%0.657SS**Hα-helixtrans-81.9-13.2172.3-75.1-174.2156.300114.4T1049 K1050T1049-E1053 PolarHBondContact O-N 3.04Å; K1050-E1053 PolarHBondContact O-N 3.11Å
1054E40.4Very low43.7Very low171 Ų171124.2 Ų124.280%0.79968%0.676SS**SBendtrans-99.312.4-173.8-82.6-169163.400116.6
1055K36.8Very low42.3Very low184 Ų184126.9 Ų126.980%0.870%0.703SS**  trans-104.1119.2172.3-80.3-176.9180172.10112.5
1056P38.5Very low40.7Very low126 Ų126128.5 Ų128.582%0.81873%0.727SS**  trans-74.8135.617530-31.1000111
1057A37.5Very low39.5Very low101 Ų101128.8 Ų128.884%0.83574%0.741SS**  trans-57139.9177.600000113.5
1058K32.5Very low38.5Very low202 Ų202126.1 Ų126.188%0.87874%0.744SS**  trans-120.8138.8153.2-93-174.8178178.10108.8
1059P42.7Very low37.7Very low123 Ų123125.1 Ų125.180%0.79976%0.756SS**  trans-93.4131.3-172.334.8-29.9000112.1
1060T30.6Very low37.1Very low141 Ų141129.4 Ų129.487%0.86578%0.777SS**  trans-155.8149.2152.610.70000110.1
1061P38.9Very low37.4Very low107 Ų107127.5 Ų127.570%0.69577%0.773SS**  trans-102.7152-151.437.4-31.3000115.7
1062L34.3Very low38.1Very low155 Ų155130.6 Ų130.681%0.81278%0.777SS**  trans61.5104.2147.6-68.2156.4000119.8
1063S28.2Very low40Very low123 Ų123127.7 Ų127.786%0.8675%0.753SS**  -151.3110.5127179.50000108.4
1064D33.8Very low41.7Very low153 Ų153122.2 Ų122.282%0.81873%0.731SS**  trans-61.3144.3173.6-80.3-42.7000111.9
1065G32.6Very low43.9Very low82 Ų82114.1 Ų114.185%0.84569%0.693SS**  trans12740.6161.700000117.3
1066A28Very low46.4Very low96 Ų96106.8 Ų106.879%0.79367%0.665SS**  trans-123.3110.116000000108.4A1068A1066-A1068 PolarHBondContact O-N 3.15Å
1067L32.1Very low48.7Very low176 Ų176102.1 Ų102.192%0.92163%0.631SS**  trans-50.9134.6163.5-81.7135.4000108.1A1069L1067-A1069 PolarHBondContact O-N 3.28Å
1068A31.8Very low50.8Low89 Ų8998.5 Ų98.574%0.73660%0.601SS**  trans-43.3123.417600000110.2A1066 D1070A1066-A1068 PolarHBondContact O-N 3.15Å; A1068-D1070 PolarHBondContact O-N 2.67Å; A1068-D1070 VanDerWaalsContact O-N 3.11Å
1069A34.6Very low53.4Low97 Ų9791.1 Ų91.180%0.80257%0.57SS**  trans-66108.716400000106.1L1067 D1071L1067-A1069 PolarHBondContact O-N 3.28Å; A1069-D1071 PolarHBondContact O-N 3.11Å
1070D38.2Very low55.5Low139 Ų13985.3 Ų85.374%0.74353%0.532SS*.  trans-57.6124.3170.7-88.9-32.6000108.5A1068 E1072A1068-D1070 PolarHBondContact O-N 2.67Å; A1068-D1070 VanDerWaalsContact O-N 3.11Å; D1070-E1072 PolarHBondContact O-N 3.07Å
1071D53.3Low58.2Low106 Ų10678.7 Ų78.757%0.56749%0.491SS*.  trans-63.383.5167.6-97.1-23.1000108.5H1045 A1069H1045-D1071 PolarHBondContact NE2-O 3.25Å; A1069-D1071 PolarHBondContact O-N 3.11Å
1072E62.5Low60.3Low130 Ų13073.6 Ų73.661%0.60746%0.458SS*.  trans-88.3133.6177.9-92.1-173.7145.700111.5D1070 T1074D1070-E1072 PolarHBondContact O-N 3.07Å; E1072-T1074 PolarHBondContact O-N 3.28Å
1073W84.9Confident62.8Low21 Ų2166.2 Ų66.28%0.0842%0.42CS..  trans-50129.9168.7178.2104.9000110N1002 Q1003 F1006 V1037 L1038 G1041 V1075N1002-W1073 WeakPolarHBondContact CA-O 3.4Å; Q1003-W1073 HydrophobicContact CB-CB 4.36Å; Q1003-W1073 HydrophobicContact CB-CD2 4.17Å; Q1003-W1073 HydrophobicContact CB-CE3 3.57Å; Q1003-W1073 HydrophobicContact CB-CZ3 4.23Å; Q1003-W1073 HydrophobicContact CG-CD2 4.34Å; Q1003-W1073 HydrophobicContact CG-CE3 4.03Å; Q1003-W1073 PolarHBondContact N-O 3.08Å; F1006-W1073 HydrophobicContact CB-CH2 3.98Å; F1006-W1073 HydrophobicContact CB-CZ3 3.74Å; F1006-W1073 AromaticContact CD1-CH2 3.57Å; F1006-W1073 HydrophobicContact CD1-CH2 3.57Å; F1006-W1073 HydrophobicContact CD1-CZ2 4.42Å; F1006-W1073 HydrophobicContact CD1-CZ3 4.12Å; F1006-W1073 HydrophobicContact CD2-CH2 4.5Å; F1006-W1073 HydrophobicContact CE1-CH2 4.2Å; F1006-W1073 AromaticContact CG-CH2 3.75Å; F1006-W1073 HydrophobicContact CG-CH2 3.75Å; F1006-W1073 HydrophobicContact CG-CZ3 4.06Å; V1037-W1073 HydrophobicContact CG1-CH2 4.07Å; V1037-W1073 HydrophobicContact CG1-CZ2 4.17Å; L1038-W1073 HydrophobicContact CD2-CH2 4.41Å; L1038-W1073 HydrophobicContact CD2-CZ2 3.86Å; L1038-W1073 PolarHBondContact O-NE1 3.43Å; G1041-W1073 VanDerWaalsContact C-CD1 3.46Å; G1041-W1073 VanDerWaalsContact C-NE1 3.3Å; G1041-W1073 VanDerWaalsContact CA-NE1 3.31Å; W1073-V1075 HydrophobicContact CH2-CB 3.81Å; W1073-V1075 HydrophobicContact CH2-CG1 3.63Å; W1073-V1075 HydrophobicContact CZ2-CB 4.35Å; W1073-V1075 HydrophobicContact CZ3-CB 4.17Å; W1073-V1075 HydrophobicContact CZ3-CG1 3.81Å
1074T83.9Confident65.7Low45 Ų4560.7 Ų60.728%0.27638%0.38SS..EExtended strand (participates in β ladder)trans-137.5152.6178.353.30000112L1000 M1001 E1072L1000-T1074 HydrophobicContact CB-CG2 4.35Å; M1001-T1074 CarbonylContact O-C 3.59Å; M1001-T1074 VanDerWaalsContact O-CA 3.26Å; M1001-T1074 WeakPolarHBondContact O-CA 3.3Å; E1072-T1074 PolarHBondContact O-N 3.28Å
1075V86.9Confident68.2Low0 Ų055.6 Ų55.60%035%0.353CS..EExtended strand (participates in β ladder)trans-135.4146.3176.8660000110.9Y928 M1001 F1006 V1037 W1073 Q1079 I1080Y928-V1075 PolarHBondContact OH-O 2.78Å; M1001-V1075 HydrophobicContact CB-CG1 3.95Å; M1001-V1075 PolarHBondContact N-O 2.97Å; M1001-V1075 PolarHBondContact O-N 3.37Å; F1006-V1075 HydrophobicContact CD2-CG1 4.28Å; V1037-V1075 HydrophobicContact CG1-CB 4.31Å; V1037-V1075 HydrophobicContact CG1-CG1 4.39Å; V1037-V1075 HydrophobicContact CG1-CG2 3.75Å; W1073-V1075 HydrophobicContact CH2-CB 3.81Å; W1073-V1075 HydrophobicContact CH2-CG1 3.63Å; W1073-V1075 HydrophobicContact CZ2-CB 4.35Å; W1073-V1075 HydrophobicContact CZ3-CB 4.17Å; W1073-V1075 HydrophobicContact CZ3-CG1 3.81Å; V1075-Q1079 HydrophobicContact CG2-CB 3.74Å; V1075-I1080 HydrophobicContact CG1-CD1 3.8Å; V1075-I1080 HydrophobicContact CG1-CG1 4.06Å; V1075-I1080 HydrophobicContact CG2-CG1 3.85Å
1076S88.1Confident70.7Confident30 Ų3052.7 Ų52.721%0.2132%0.319CS..  trans-93.2155.1176.368.50000113A1078 Q1079 I1080S1076-A1078 PolarHBondContact O-N 3.18Å; S1076-Q1079 PolarHBondContact O-N 3.13Å; S1076-Q1079 VanDerWaalsContact O-N 3.09Å; S1076-Q1079 VanDerWaalsContact OG-CD 3.29Å; S1076-Q1079 WeakPolarHBondContact OG-CG 3.5Å; S1076-Q1079 PolarHBondContact OG-N 3.36Å; S1076-Q1079 PolarHBondContact OG-OE1 3.04Å; S1076-I1080 PolarHBondContact O-N 3.14Å; S1076-I1080 VanDerWaalsContact O-N 3.12Å
1077Y86.7Confident73.7Confident28 Ų2849.9 Ų49.911%0.1129%0.289CS..Hα-helixtrans-49.6-43.1171.5167-103.8000113.1N921 I924 R925 Y928 L998 Q1079 I1080 L1081N921-Y1077 PolarHBondContact O-OH 3.22Å; I924-Y1077 HydrophobicContact CG2-CE2 4.13Å; R925-Y1077 VanDerWaalsContact CA-CE2 3.4Å; R925-Y1077 HydrophobicContact CB-CD2 4.47Å; R925-Y1077 HydrophobicContact CB-CE2 3.66Å; R925-Y1077 HydrophobicContact CG-CE2 4.15Å; Y928-Y1077 HydrophobicContact CD2-CD2 4.22Å; Y928-Y1077 HydrophobicContact CG-CD2 4.07Å; L998-Y1077 HydrophobicContact CD1-CD1 4.5Å; L998-Y1077 HydrophobicContact CD1-CD2 4.5Å; L998-Y1077 HydrophobicContact CD1-CG 4.11Å; Y1077-Q1079 VanDerWaalsContact C-N 3.33Å; Y1077-Q1079 PolarHBondContact O-N 3.29Å; Y1077-I1080 PolarHBondContact O-N 3.01Å; Y1077-L1081 HydrophobicContact CE1-CD2 4.05Å; Y1077-L1081 HydrophobicContact CE2-CB 4.37Å; Y1077-L1081 WeakPolarHBondContact O-CB 3.34Å; Y1077-L1081 PolarHBondContact O-N 3.39Å
1078A83.2Confident76.3Confident25 Ų2547.1 Ų47.121%0.20727%0.272CS..Hα-helixtrans-64.1-37.5-178.800000112.3L983 S1076 A1082L983-A1078 HydrophobicContact CD2-CB 4.09Å; S1076-A1078 PolarHBondContact O-N 3.18Å; A1078-A1082 WeakPolarHBondContact O-CB 3.21Å; A1078-A1082 PolarHBondContact O-N 3.07Å
1079Q85.6Confident79Confident47 Ų4744 Ų4422%0.2225%0.246CC..Hα-helixtrans-69-42176.4-71.7161.8-41.300111.8L983 I1040 V1075 S1076 Y1077 S1083L983-Q1079 HydrophobicContact CD2-CG 4.17Å; I1040-Q1079 HydrophobicContact CG2-CB 4.36Å; I1040-Q1079 HydrophobicContact CG2-CG 3.99Å; V1075-Q1079 HydrophobicContact CG2-CB 3.74Å; S1076-Q1079 PolarHBondContact O-N 3.13Å; S1076-Q1079 VanDerWaalsContact O-N 3.09Å; S1076-Q1079 VanDerWaalsContact OG-CD 3.29Å; S1076-Q1079 WeakPolarHBondContact OG-CG 3.5Å; S1076-Q1079 PolarHBondContact OG-N 3.36Å; S1076-Q1079 PolarHBondContact OG-OE1 3.04Å; Y1077-Q1079 VanDerWaalsContact C-N 3.33Å; Y1077-Q1079 PolarHBondContact O-N 3.29Å; Q1079-S1083 WeakPolarHBondContact O-CB 3.39Å; Q1079-S1083 PolarHBondContact O-N 2.87Å; Q1079-S1083 PolarHBondContact O-OG 3.46Å
1080I87.6Confident81.5Confident1 Ų139.5 Ų39.51%0.00521%0.208CC..Hα-helixtrans-63.7-49175.3-66.5-176.3000110.4Y928 M1001 F1006 F1009 V1037 V1075 S1076 Y1077 S1083 L1084Y928-I1080 HydrophobicContact CD2-CD1 3.93Å; Y928-I1080 HydrophobicContact CE2-CD1 3.82Å; M1001-I1080 HydrophobicContact SD-CD1 4.04Å; F1006-I1080 HydrophobicContact CD2-CD1 3.8Å; F1006-I1080 HydrophobicContact CD2-CG1 4.46Å; F1006-I1080 HydrophobicContact CE2-CD1 4Å; F1006-I1080 HydrophobicContact CE2-CG1 4.24Å; F1009-I1080 HydrophobicContact CE1-CG2 3.81Å; F1009-I1080 HydrophobicContact CZ-CG2 3.97Å; V1037-I1080 HydrophobicContact CG1-CG1 4.43Å; V1075-I1080 HydrophobicContact CG1-CD1 3.8Å; V1075-I1080 HydrophobicContact CG1-CG1 4.06Å; V1075-I1080 HydrophobicContact CG2-CG1 3.85Å; S1076-I1080 PolarHBondContact O-N 3.14Å; S1076-I1080 VanDerWaalsContact O-N 3.12Å; Y1077-I1080 PolarHBondContact O-N 3.01Å; I1080-S1083 PolarHBondContact O-N 2.99Å; I1080-L1084 HydrophobicContact CG2-CD1 3.79Å; I1080-L1084 HydrophobicContact CG2-CG 4.34Å; I1080-L1084 WeakPolarHBondContact O-CG 3.49Å; I1080-L1084 PolarHBondContact O-N 3.15Å
1081L86.4Confident83.9Confident2 Ų233.5 Ų33.51%0.0118%0.177CC..Hα-helixtrans-59.9-50.2-179.8179.468.2000111.4N921 I924 L986 Y1077 S1083 L1084 L1085N921-L1081 HydrophobicContact CB-CD2 4.43Å; N921-L1081 WeakPolarHBondContact OD1-CD1 3.45Å; N921-L1081 WeakPolarHBondContact OD1-CD2 3.43Å; I924-L1081 HydrophobicContact CB-CD1 4.13Å; I924-L1081 HydrophobicContact CG1-CD1 4.29Å; I924-L1081 HydrophobicContact CG2-CD1 4.15Å; L986-L1081 HydrophobicContact CD1-CD2 4.04Å; L986-L1081 HydrophobicContact CD1-CG 4.46Å; L986-L1081 HydrophobicContact CD2-CD2 3.66Å; Y1077-L1081 HydrophobicContact CE1-CD2 4.05Å; Y1077-L1081 HydrophobicContact CE2-CB 4.37Å; Y1077-L1081 WeakPolarHBondContact O-CB 3.34Å; Y1077-L1081 PolarHBondContact O-N 3.39Å; L1081-S1083 PolarHBondContact O-N 2.83Å; L1081-L1084 PolarHBondContact O-N 3.5Å; L1081-L1084 VanDerWaalsContact O-N 3.12Å; L1081-L1085 HydrophobicContact CD1-CD1 4.24Å; L1081-L1085 HydrophobicContact CD1-CG 4.31Å; L1081-L1085 HydrophobicContact CG-CD1 3.91Å; L1081-L1085 HydrophobicContact CG-CG 4.4Å; L1081-L1085 VanDerWaalsContact O-CG 3.28Å; L1081-L1085 WeakPolarHBondContact O-CG 3.42Å; L1081-L1085 PolarHBondContact O-N 2.92Å
1082A84.4Confident85.5Confident0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-59.4-38179.500000111.7L979 M982 L983 L986 A1078 L1085L979-A1082 HydrophobicContact CD1-CB 3.52Å; M982-A1082 HydrophobicContact CB-CB 4.36Å; L983-A1082 HydrophobicContact CD2-CB 4.09Å; L983-A1082 HydrophobicContact CG-CB 4.07Å; L986-A1082 HydrophobicContact CD1-CB 4Å; A1078-A1082 WeakPolarHBondContact O-CB 3.21Å; A1078-A1082 PolarHBondContact O-N 3.07Å; A1082-L1085 PolarHBondContact O-N 3.36Å
1083S87.1Confident86.8Confident0 Ų026.9 Ų26.90%015%0.145CC..Hα-helixtrans-71.7-33.3176.7-53.80000112.9V1033 V1037 Q1079 I1080 L1081 T1086V1033-S1083 VanDerWaalsContact CG2-O 3.27Å; V1033-S1083 WeakPolarHBondContact CG2-O 3.28Å; V1037-S1083 WeakPolarHBondContact CG2-OG 3.47Å; Q1079-S1083 WeakPolarHBondContact O-CB 3.39Å; Q1079-S1083 PolarHBondContact O-N 2.87Å; Q1079-S1083 PolarHBondContact O-OG 3.46Å; I1080-S1083 PolarHBondContact O-N 2.99Å; L1081-S1083 PolarHBondContact O-N 2.83Å; S1083-T1086 PolarHBondContact O-OG1 3.1Å
1084L87.3Confident86.9Confident7 Ų726.2 Ų26.24%0.03714%0.142CC..Hα-helixtrans-69.5-36.4175.1-74.5167.4000111.9I924 F1009 L1013 I1030 V1033 I1080 L1081 T1086 E1087 L1090I924-L1084 HydrophobicContact CD1-CD1 3.94Å; I924-L1084 HydrophobicContact CG1-CD1 4.15Å; I924-L1084 HydrophobicContact CG2-CD1 3.66Å; F1009-L1084 HydrophobicContact CZ-CD1 4.26Å; L1013-L1084 HydrophobicContact CD1-CD2 4.37Å; I1030-L1084 HydrophobicContact CD1-CD2 4.29Å; V1033-L1084 HydrophobicContact CG1-CD2 3.9Å; V1033-L1084 HydrophobicContact CG1-CG 4.16Å; V1033-L1084 HydrophobicContact CG2-CD2 4.4Å; I1080-L1084 HydrophobicContact CG2-CD1 3.79Å; I1080-L1084 HydrophobicContact CG2-CG 4.34Å; I1080-L1084 WeakPolarHBondContact O-CG 3.49Å; I1080-L1084 PolarHBondContact O-N 3.15Å; L1081-L1084 PolarHBondContact O-N 3.5Å; L1081-L1084 VanDerWaalsContact O-N 3.12Å; L1084-T1086 PolarHBondContact O-N 2.92Å; L1084-E1087 PolarHBondContact O-N 3.42Å; L1084-L1090 HydrophobicContact CD2-CD1 3.65Å
1085L86.3Confident87Confident46 Ų4629.3 Ų29.324%0.24115%0.154CC..THydrogen-bonded Turntrans-71.4-12.7-178.9-68.2168.8000113.8L920 M982 L1081 A1082 E1087 V1091L920-L1085 HydrophobicContact CD2-CD2 3.4Å; L920-L1085 HydrophobicContact CG-CD2 4.4Å; M982-L1085 HydrophobicContact CE-CB 3.29Å; M982-L1085 HydrophobicContact CE-CD1 3.59Å; M982-L1085 HydrophobicContact CE-CG 4.08Å; L1081-L1085 HydrophobicContact CD1-CD1 4.24Å; L1081-L1085 HydrophobicContact CD1-CG 4.31Å; L1081-L1085 HydrophobicContact CG-CD1 3.91Å; L1081-L1085 HydrophobicContact CG-CG 4.4Å; L1081-L1085 VanDerWaalsContact O-CG 3.28Å; L1081-L1085 WeakPolarHBondContact O-CG 3.42Å; L1081-L1085 PolarHBondContact O-N 2.92Å; A1082-L1085 PolarHBondContact O-N 3.36Å; L1085-E1087 VanDerWaalsContact C-N 3.25Å; L1085-V1091 HydrophobicContact CD2-CG2 4.22Å
1086T86.4Confident86.9Confident22 Ų2235 Ų3514%0.13518%0.179CC..THydrogen-bonded Turntrans-74-19.1173.461.30000112.6S1083 L1084S1083-T1086 PolarHBondContact O-OG1 3.1Å; L1084-T1086 PolarHBondContact O-N 2.92Å
1087E89.6Confident86.3Confident37 Ų3739.6 Ų39.617%0.17321%0.208CC..  trans-106.6105.7-176.4-69.6-6315500111.6A1029 T1032 V1033 L1084 L1085 A1089 L1090 V1091A1029-E1087 HydrophobicContact CB-CB 3.98Å; A1029-E1087 HydrophobicContact CB-CG 4.05Å; T1032-E1087 WeakPolarHBondContact CB-OE1 3.34Å; T1032-E1087 VanDerWaalsContact CG2-OE1 3.28Å; T1032-E1087 WeakPolarHBondContact CG2-OE1 3.32Å; V1033-E1087 HydrophobicContact CG2-CB 4.27Å; V1033-E1087 HydrophobicContact CG2-CG 3.59Å; L1084-E1087 PolarHBondContact O-N 3.42Å; L1085-E1087 VanDerWaalsContact C-N 3.25Å; E1087-A1089 PolarHBondContact O-N 3.19Å; E1087-L1090 HydrophobicContact CB-CB 4.41Å; E1087-L1090 HydrophobicContact CB-CD1 3.97Å; E1087-L1090 HydrophobicContact CB-CG 4.16Å; E1087-L1090 HydrophobicContact CG-CD1 4.46Å; E1087-L1090 PolarHBondContact O-N 3.25Å; E1087-L1090 VanDerWaalsContact O-N 3.09Å; E1087-V1091 PolarHBondContact O-N 3.17Å
1088Q87.9Confident86Confident118 Ų11840.3 Ų40.355%0.55122%0.219SC*.Hα-helixtrans-60.9-31.5-176.1-16862.446.900113.2L1090 V1091 N1092Q1088-L1090 VanDerWaalsContact C-N 3.32Å; Q1088-L1090 PolarHBondContact O-N 2.76Å; Q1088-V1091 PolarHBondContact O-N 2.9Å; Q1088-N1092 PolarHBondContact NE2-OD1 3.27Å; Q1088-N1092 WeakPolarHBondContact O-CB 3.36Å; Q1088-N1092 PolarHBondContact O-N 3.27Å; Q1088-N1092 PolarHBondContact O-ND2 2.85Å; Q1088-N1092 PolarHBondContact O-OD1 3.31Å
1089A87.3Confident86.2Confident23 Ų2343.4 Ų43.419%0.1923%0.232CC..Hα-helixtrans-61.2-40.317700000112L1026 A1029 E1087 F1093L1026-A1089 HydrophobicContact CD2-CB 4.27Å; L1026-A1089 WeakPolarHBondContact CD2-O 3.08Å; A1029-A1089 HydrophobicContact CB-CB 4.17Å; E1087-A1089 PolarHBondContact O-N 3.19Å; A1089-F1093 PolarHBondContact O-N 3.15Å; A1089-F1093 VanDerWaalsContact O-N 3.08Å
1090L88.2Confident86.4Confident2 Ų241.8 Ų41.81%0.0123%0.225CC..Hα-helixtrans-72.1-40.6178.2-63.2176.1000111.5F1017 L1026 A1029 I1030 V1033 L1084 E1087 Q1088 F1093 F1094F1017-L1090 HydrophobicContact CE1-CD2 4.25Å; F1017-L1090 HydrophobicContact CE2-CD2 3.79Å; F1017-L1090 HydrophobicContact CZ-CD2 3.44Å; F1017-L1090 VanDerWaalsContact CZ-CD2 3.44Å; L1026-L1090 HydrophobicContact CD2-CD2 4.04Å; A1029-L1090 HydrophobicContact CB-CD1 4.14Å; A1029-L1090 HydrophobicContact CB-CD2 4.31Å; A1029-L1090 HydrophobicContact CB-CG 3.84Å; I1030-L1090 HydrophobicContact CD1-CD1 4.36Å; V1033-L1090 HydrophobicContact CG2-CD1 3.68Å; L1084-L1090 HydrophobicContact CD2-CD1 3.65Å; E1087-L1090 HydrophobicContact CB-CB 4.41Å; E1087-L1090 HydrophobicContact CB-CD1 3.97Å; E1087-L1090 HydrophobicContact CB-CG 4.16Å; E1087-L1090 HydrophobicContact CG-CD1 4.46Å; E1087-L1090 PolarHBondContact O-N 3.25Å; E1087-L1090 VanDerWaalsContact O-N 3.09Å; Q1088-L1090 VanDerWaalsContact C-N 3.32Å; Q1088-L1090 PolarHBondContact O-N 2.76Å; L1090-F1093 PolarHBondContact O-N 3.46Å; L1090-F1094 VanDerWaalsContact O-CD2 3.28Å; L1090-F1094 WeakPolarHBondContact O-CD2 3.47Å; L1090-F1094 PolarHBondContact O-N 3.43Å
1091V87.9Confident86.7Confident14 Ų1445.1 Ų45.19%0.08525%0.246CC..Hα-helixtrans-57.9-51.4173.7176.90000110.2L920 L1085 E1087 Q1088 F1093 F1094 E1095L920-V1091 HydrophobicContact CD2-CB 4.31Å; L920-V1091 HydrophobicContact CD2-CG1 4.07Å; L920-V1091 HydrophobicContact CD2-CG2 4.03Å; L1085-V1091 HydrophobicContact CD2-CG2 4.22Å; E1087-V1091 PolarHBondContact O-N 3.17Å; Q1088-V1091 PolarHBondContact O-N 2.9Å; V1091-F1093 VanDerWaalsContact C-N 3.29Å; V1091-F1093 PolarHBondContact O-N 3.11Å; V1091-F1094 PolarHBondContact O-N 2.98Å; V1091-E1095 HydrophobicContact CG1-CG 4.27Å; V1091-E1095 WeakPolarHBondContact O-CB 3.46Å; V1091-E1095 WeakPolarHBondContact O-CG 3.4Å; V1091-E1095 PolarHBondContact O-N 3.43Å
1092N88.2Confident86.9Confident78 Ų7850.3 Ų50.342%0.41727%0.27SS..Hα-helixtrans-58.1-40.4179.1-70.2-10.5000112.2Q1088 K1096Q1088-N1092 PolarHBondContact NE2-OD1 3.27Å; Q1088-N1092 WeakPolarHBondContact O-CB 3.36Å; Q1088-N1092 PolarHBondContact O-N 3.27Å; Q1088-N1092 PolarHBondContact O-ND2 2.85Å; Q1088-N1092 PolarHBondContact O-OD1 3.31Å; N1092-K1096 WeakPolarHBondContact O-CB 3.41Å; N1092-K1096 PolarHBondContact O-N 3.06Å
1093F88.6Confident87.2Confident18 Ų1853.3 Ų53.38%0.07928%0.283CS..Hα-helixtrans-62.4-46.3178.8177.2-93.9000112.7W876 F1017 D1020 L1026 A1089 L1090 V1091 K1096W876-F1093 AromaticContact CD1-CE1 3.94Å; F1017-F1093 HydrophobicContact CD1-CD1 4.13Å; F1017-F1093 HydrophobicContact CD1-CD2 4.25Å; F1017-F1093 AromaticContact CD1-CE1 3.87Å; F1017-F1093 HydrophobicContact CD1-CE1 3.87Å; F1017-F1093 AromaticContact CD1-CE2 4Å; F1017-F1093 HydrophobicContact CD1-CE2 4Å; F1017-F1093 HydrophobicContact CD1-CG 4.31Å; F1017-F1093 AromaticContact CD1-CZ 3.8Å; F1017-F1093 HydrophobicContact CD1-CZ 3.8Å; F1017-F1093 AromaticContact CE1-CD1 3.69Å; F1017-F1093 HydrophobicContact CE1-CD1 3.69Å; F1017-F1093 AromaticContact CE1-CE1 3.67Å; F1017-F1093 HydrophobicContact CE1-CE1 3.67Å; F1017-F1093 HydrophobicContact CE1-CG 4.14Å; F1017-F1093 HydrophobicContact CE1-CZ 4.1Å; D1020-F1093 HydrophobicContact CB-CE2 4.49Å; L1026-F1093 HydrophobicContact CD1-CD2 3.7Å; L1026-F1093 HydrophobicContact CD1-CE2 4.24Å; L1026-F1093 HydrophobicContact CD1-CG 4.33Å; L1026-F1093 HydrophobicContact CD2-CB 3.74Å; L1026-F1093 HydrophobicContact CD2-CD2 4.38Å; L1026-F1093 HydrophobicContact CD2-CG 4.22Å; A1089-F1093 PolarHBondContact O-N 3.15Å; A1089-F1093 VanDerWaalsContact O-N 3.08Å; L1090-F1093 PolarHBondContact O-N 3.46Å; V1091-F1093 VanDerWaalsContact C-N 3.29Å; V1091-F1093 PolarHBondContact O-N 3.11Å; F1093-K1096 WeakPolarHBondContact O-CB 3.5Å
1094F86.8Confident87.5Confident7 Ų753.3 Ų53.33%0.03128%0.283CS..Hα-helixtrans-81.1-24.4-176.8-78.1-67.4000114.1W876 L920 K923 I924 L927 L1013 L1090 V1091W876-F1094 HydrophobicContact CZ2-CD1 4.49Å; W876-F1094 HydrophobicContact CZ2-CE1 4.11Å; L920-F1094 HydrophobicContact CD1-CB 3.2Å; L920-F1094 HydrophobicContact CD1-CD2 3.98Å; L920-F1094 HydrophobicContact CD1-CG 3.76Å; K923-F1094 PolarHBondContact NZ-O 3.23Å; I924-F1094 HydrophobicContact CD1-CD1 4.34Å; I924-F1094 HydrophobicContact CD1-CD2 3.84Å; I924-F1094 HydrophobicContact CD1-CE1 4.16Å; I924-F1094 HydrophobicContact CD1-CE2 3.62Å; I924-F1094 HydrophobicContact CD1-CG 4.21Å; I924-F1094 HydrophobicContact CD1-CZ 3.8Å; L927-F1094 HydrophobicContact CD1-CE1 3.67Å; L927-F1094 HydrophobicContact CD1-CZ 3.75Å; L1013-F1094 HydrophobicContact CD2-CE2 4.15Å; L1013-F1094 HydrophobicContact CD2-CZ 3.6Å; L1090-F1094 VanDerWaalsContact O-CD2 3.28Å; L1090-F1094 WeakPolarHBondContact O-CD2 3.47Å; L1090-F1094 PolarHBondContact O-N 3.43Å; V1091-F1094 PolarHBondContact O-N 2.98Å
1095E87Confident87.7Confident111 Ų11155.7 Ų55.752%0.51930%0.304SS..Hα-helixtrans-87.4-11.9174.1-68.2-168.5161.500113.4L920 V1091 P1097L920-E1095 HydrophobicContact CB-CG 4.27Å; V1091-E1095 HydrophobicContact CG1-CG 4.27Å; V1091-E1095 WeakPolarHBondContact O-CB 3.46Å; V1091-E1095 WeakPolarHBondContact O-CG 3.4Å; V1091-E1095 PolarHBondContact O-N 3.43Å; E1095-P1097 WeakPolarHBondContact O-CD 3.29Å; E1095-P1097 VanDerWaalsContact O-N 3.17Å
1096K83.9Confident87.9Confident120 Ų12057.7 Ų57.752%0.52231%0.312SS..SBendtrans-54.7120.9176.9-170.5172.5-179.2175.20110.3D1020 N1092 F1093 A1098D1020-K1096 IonicContact OD2-NZ 3.54Å; N1092-K1096 WeakPolarHBondContact O-CB 3.41Å; N1092-K1096 PolarHBondContact O-N 3.06Å; F1093-K1096 WeakPolarHBondContact O-CB 3.5Å; K1096-A1098 PolarHBondContact O-N 3.46Å
1097P76.3Confident88.1Confident126 Ų12656.7 Ų56.782%0.81831%0.305SS*.PPolyproline II helixtrans-67.6125.5-17925.6-32.2000109.9E1095E1095-P1097 WeakPolarHBondContact O-CD 3.29Å; E1095-P1097 VanDerWaalsContact O-N 3.17Å
1098A80.4Confident88Confident43 Ų4357.9 Ų57.936%0.35531%0.31SS..PPolyproline II helixtrans-101.5132.1174.100000110P875 Y916 K1096 L1100P875-A1098 HydrophobicContact CB-CB 4.08Å; Y916-A1098 HydrophobicContact CD1-CB 3.83Å; Y916-A1098 HydrophobicContact CE1-CB 3.61Å; K1096-A1098 PolarHBondContact O-N 3.46Å; A1098-L1100 PolarHBondContact O-N 2.91Å; A1098-L1100 VanDerWaalsContact O-N 3.11Å
1099D86.6Confident87.8Confident89 Ų8959.3 Ų59.348%0.47632%0.317SS..  trans-78.997178.2-171.2-10000111T1101 E1102 K1103D1099-T1101 PolarHBondContact O-N 3.43Å; D1099-T1101 WeakPolarHBondContact OD1-CA 3.44Å; D1099-T1101 WeakPolarHBondContact OD1-CB 3.46Å; D1099-T1101 PolarHBondContact OD1-N 3.41Å; D1099-T1101 PolarHBondContact OD1-OG1 3.22Å; D1099-E1102 HydrophobicContact CB-CB 4.07Å; D1099-E1102 PolarHBondContact O-N 2.97Å; D1099-E1102 PolarHBondContact OD1-N 3.43Å; D1099-K1103 WeakPolarHBondContact O-CG 3.29Å; D1099-K1103 PolarHBondContact O-N 3.01Å; D1099-K1103 VanDerWaalsContact O-N 3.15Å
1100L90.9Very high87.7Confident13 Ų1361.2 Ų61.27%0.06832%0.324CS..Hα-helixtrans-60.4-34.6175.3-179.358.6000112.1I809 N813 L817 Y916 A1098 K1103 I1104I809-L1100 HydrophobicContact CD1-CD2 4.31Å; I809-L1100 HydrophobicContact CG1-CD2 4.44Å; I809-L1100 HydrophobicContact CG2-CD2 3.94Å; N813-L1100 HydrophobicContact CB-CD2 4.41Å; L817-L1100 HydrophobicContact CD1-CD2 4.4Å; Y916-L1100 HydrophobicContact CD1-CB 3.69Å; Y916-L1100 HydrophobicContact CD1-CD1 4.2Å; Y916-L1100 HydrophobicContact CD1-CG 4.42Å; Y916-L1100 HydrophobicContact CD2-CD1 4.02Å; Y916-L1100 HydrophobicContact CE1-CB 3.93Å; Y916-L1100 HydrophobicContact CE1-CD1 4.04Å; Y916-L1100 HydrophobicContact CE2-CD1 3.88Å; Y916-L1100 HydrophobicContact CG-CB 4.18Å; Y916-L1100 HydrophobicContact CG-CD1 4.18Å; Y916-L1100 HydrophobicContact CG-CD2 4.5Å; A1098-L1100 PolarHBondContact O-N 2.91Å; A1098-L1100 VanDerWaalsContact O-N 3.11Å; L1100-K1103 PolarHBondContact O-N 3.29Å; L1100-I1104 HydrophobicContact CD1-CD1 4.09Å; L1100-I1104 HydrophobicContact CD1-CG1 4.14Å; L1100-I1104 HydrophobicContact CD2-CD1 4.46Å; L1100-I1104 HydrophobicContact CG-CD1 3.8Å; L1100-I1104 HydrophobicContact CG-CG1 4.33Å; L1100-I1104 WeakPolarHBondContact O-CB 3.29Å; L1100-I1104 VanDerWaalsContact O-CG1 3.23Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.13Å; L1100-I1104 PolarHBondContact O-N 3.33Å
1101T92.3Very high87.7Confident72 Ų7261.3 Ų61.344%0.44232%0.324SS..Hα-helixtrans-65.6-45.5-177.9-44.20000110.4N813 D1099 I1104 A1105N813-T1101 PolarHBondContact ND2-OG1 2.95Å; N813-T1101 PolarHBondContact OD1-OG1 2.94Å; D1099-T1101 PolarHBondContact O-N 3.43Å; D1099-T1101 WeakPolarHBondContact OD1-CA 3.44Å; D1099-T1101 WeakPolarHBondContact OD1-CB 3.46Å; D1099-T1101 PolarHBondContact OD1-N 3.41Å; D1099-T1101 PolarHBondContact OD1-OG1 3.22Å; T1101-I1104 PolarHBondContact O-N 3.14Å; T1101-A1105 PolarHBondContact O-N 3.01Å
1102E91.6Very high87.3Confident111 Ų11162.9 Ų62.952%0.51933%0.329SS..Hα-helixtrans-63.3-44175.5-167.9-175.9169.800111.2D1099 I1104 A1105 Q1106D1099-E1102 HydrophobicContact CB-CB 4.07Å; D1099-E1102 PolarHBondContact O-N 2.97Å; D1099-E1102 PolarHBondContact OD1-N 3.43Å; E1102-I1104 PolarHBondContact O-N 3.37Å; E1102-A1105 WeakPolarHBondContact O-CB 3.31Å; E1102-A1105 PolarHBondContact O-N 3.33Å; E1102-A1105 VanDerWaalsContact O-N 3.14Å; E1102-Q1106 WeakPolarHBondContact O-CG 3.36Å; E1102-Q1106 PolarHBondContact O-N 3.14Å; E1102-Q1106 PolarHBondContact OE1-NE2 2.71Å; E1102-Q1106 VanDerWaalsContact OE1-NE2 3.12Å
1103K90.9Very high86.7Confident62 Ų6265.9 Ų65.927%0.2734%0.341SS..Hα-helixtrans-59.8-43.9176.7-77.7-79-172163.10112.5A874 D1099 L1100 A1105 Q1106 A1107A874-K1103 PolarHBondContact O-NZ 2.94Å; D1099-K1103 WeakPolarHBondContact O-CG 3.29Å; D1099-K1103 PolarHBondContact O-N 3.01Å; D1099-K1103 VanDerWaalsContact O-N 3.15Å; L1100-K1103 PolarHBondContact O-N 3.29Å; K1103-A1105 VanDerWaalsContact C-N 3.33Å; K1103-A1105 PolarHBondContact O-N 2.75Å; K1103-Q1106 PolarHBondContact O-N 3.29Å; K1103-A1107 VanDerWaalsContact O-CB 3.3Å; K1103-A1107 WeakPolarHBondContact O-CB 3.09Å; K1103-A1107 PolarHBondContact O-N 2.88Å
1104I93.4Very high86.1Confident1 Ų168.1 Ų68.11%0.00535%0.351CS..Hα-helixtrans-60.4-42.8174.3-72.9167.5000110.9N813 D816 L817 L820 L873 L1100 T1101 E1102 A1107 K1108N813-I1104 HydrophobicContact CB-CD1 3.89Å; D816-I1104 HydrophobicContact CB-CG2 3.84Å; L817-I1104 HydrophobicContact CD1-CD1 4.38Å; L817-I1104 HydrophobicContact CD2-CD1 3.82Å; L817-I1104 HydrophobicContact CD2-CG1 3.75Å; L817-I1104 HydrophobicContact CG-CD1 3.7Å; L817-I1104 HydrophobicContact CG-CG1 4.2Å; L820-I1104 HydrophobicContact CD1-CB 4.36Å; L820-I1104 HydrophobicContact CD1-CG1 4.34Å; L820-I1104 HydrophobicContact CD1-CG2 3.94Å; L873-I1104 HydrophobicContact CD2-CG1 4.24Å; L1100-I1104 HydrophobicContact CD1-CD1 4.09Å; L1100-I1104 HydrophobicContact CD1-CG1 4.14Å; L1100-I1104 HydrophobicContact CD2-CD1 4.46Å; L1100-I1104 HydrophobicContact CG-CD1 3.8Å; L1100-I1104 HydrophobicContact CG-CG1 4.33Å; L1100-I1104 WeakPolarHBondContact O-CB 3.29Å; L1100-I1104 VanDerWaalsContact O-CG1 3.23Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.13Å; L1100-I1104 PolarHBondContact O-N 3.33Å; T1101-I1104 PolarHBondContact O-N 3.14Å; E1102-I1104 PolarHBondContact O-N 3.37Å; I1104-A1107 PolarHBondContact O-N 3.29Å; I1104-K1108 HydrophobicContact CG2-CD 4.28Å; I1104-K1108 WeakPolarHBondContact O-CG 3.39Å; I1104-K1108 PolarHBondContact O-N 3.35Å
1105A90.8Very high85.6Confident57 Ų5768.2 Ų68.247%0.47135%0.351SS..Hα-helixtrans-63.4-43.3178.700000112T1101 E1102 K1103 Q1109T1101-A1105 PolarHBondContact O-N 3.01Å; E1102-A1105 WeakPolarHBondContact O-CB 3.31Å; E1102-A1105 PolarHBondContact O-N 3.33Å; E1102-A1105 VanDerWaalsContact O-N 3.14Å; K1103-A1105 VanDerWaalsContact C-N 3.33Å; K1103-A1105 PolarHBondContact O-N 2.75Å; A1105-Q1109 PolarHBondContact O-N 3.47Å
1106Q90.6Very high84.7Confident87 Ų8763.5 Ų63.541%0.40733%0.331SS..Hα-helixtrans-64.9-43.1174.5-67.1178.512.500111.6E1102 K1103 K1108 Q1109 N1110E1102-Q1106 WeakPolarHBondContact O-CG 3.36Å; E1102-Q1106 PolarHBondContact O-N 3.14Å; E1102-Q1106 PolarHBondContact OE1-NE2 2.71Å; E1102-Q1106 VanDerWaalsContact OE1-NE2 3.12Å; K1103-Q1106 PolarHBondContact O-N 3.29Å; Q1106-K1108 PolarHBondContact O-N 2.91Å; Q1106-Q1109 PolarHBondContact O-N 3.06Å; Q1106-Q1109 VanDerWaalsContact O-N 3.13Å; Q1106-N1110 PolarHBondContact O-N 3.41Å; Q1106-N1110 VanDerWaalsContact O-N 3.11Å; Q1106-N1110 PolarHBondContact O-ND2 3.1Å
1107A91.1Very high84Confident1 Ų159.4 Ų59.41%0.00832%0.323CS..Hα-helixtrans-57.9-46.6177.700000111.6L820 L872 L873 K1103 I1104 Q1109 N1110 Q1111L820-A1107 HydrophobicContact CD1-CB 3.89Å; L820-A1107 HydrophobicContact CD2-CB 4.21Å; L872-A1107 HydrophobicContact CB-CB 3.88Å; L872-A1107 HydrophobicContact CD1-CB 4.19Å; L872-A1107 HydrophobicContact CG-CB 4.45Å; L873-A1107 HydrophobicContact CD2-CB 3.9Å; L873-A1107 HydrophobicContact CG-CB 4.45Å; K1103-A1107 VanDerWaalsContact O-CB 3.3Å; K1103-A1107 WeakPolarHBondContact O-CB 3.09Å; K1103-A1107 PolarHBondContact O-N 2.88Å; I1104-A1107 PolarHBondContact O-N 3.29Å; A1107-Q1109 PolarHBondContact O-N 3.38Å; A1107-N1110 PolarHBondContact O-N 3.26Å; A1107-N1110 VanDerWaalsContact O-N 3.12Å; A1107-Q1111 VanDerWaalsContact O-CB 3.27Å; A1107-Q1111 WeakPolarHBondContact O-CB 3.45Å; A1107-Q1111 PolarHBondContact O-N 3.07Å
1108K87.6Confident83.5Confident63 Ų6355.8 Ų55.827%0.27430%0.296SS..Hα-helixtrans-58.5-30.6177.6-74.7171.1-179.4159.20113.5D816 L820 I1104 Q1106D816-K1108 VanDerWaalsContact CB-NZ 3.29Å; D816-K1108 IonicContact OD1-NZ 2.87Å; D816-K1108 PolarHBondContact OD1-NZ 2.98Å; D816-K1108 IonicContact OD2-NZ 3.68Å; D816-K1108 PolarHBondContact OD2-NZ 3.16Å; L820-K1108 HydrophobicContact CD1-CG 4.35Å; L820-K1108 HydrophobicContact CD2-CB 4.31Å; L820-K1108 HydrophobicContact CD2-CG 3.54Å; L820-K1108 HydrophobicContact CG-CG 3.94Å; I1104-K1108 HydrophobicContact CG2-CD 4.28Å; I1104-K1108 WeakPolarHBondContact O-CG 3.39Å; I1104-K1108 PolarHBondContact O-N 3.35Å; Q1106-K1108 PolarHBondContact O-N 2.91Å
1109Q84.2Confident82.8Confident148 Ų14854.7 Ų54.769%0.69228%0.284SS*.Hα-helixtrans-80.4-34.8178.6-175172.2-8.200112.4A1105 Q1106 A1107A1105-Q1109 PolarHBondContact O-N 3.47Å; Q1106-Q1109 PolarHBondContact O-N 3.06Å; Q1106-Q1109 VanDerWaalsContact O-N 3.13Å; A1107-Q1109 PolarHBondContact O-N 3.38Å
1110N85Confident81.7Confident62 Ų6254.9 Ų54.933%0.33229%0.289SS..Hα-helixtrans-99.8-20.8-168.9-64.1-23.4000114L872 Q1106 A1107 Y1112 Q1113 Q1114L872-N1110 HydrophobicContact CD2-CB 4.05Å; Q1106-N1110 PolarHBondContact O-N 3.41Å; Q1106-N1110 VanDerWaalsContact O-N 3.11Å; Q1106-N1110 PolarHBondContact O-ND2 3.1Å; A1107-N1110 PolarHBondContact O-N 3.26Å; A1107-N1110 VanDerWaalsContact O-N 3.12Å; N1110-Y1112 PolarHBondContact O-N 2.99Å; N1110-Q1113 PolarHBondContact O-N 3.4Å; N1110-Q1114 PolarHBondContact O-N 3Å
1111Q86.8Confident80.2Confident4 Ų460.3 Ų60.32%0.01932%0.317CS..Hα-helixtrans-49.3-51.6-174.1-176.2177.430.100113.2L820 T823 E824 I827 L872 A1107 Q1113 Q1114 R1115L820-Q1111 PolarHBondContact O-NE2 3.43Å; T823-Q1111 VanDerWaalsContact CG2-OE1 3.28Å; E824-Q1111 WeakPolarHBondContact OE2-CG 3.42Å; E824-Q1111 PolarHBondContact OE2-NE2 3.29Å; I827-Q1111 HydrophobicContact CD1-CG 3.9Å; L872-Q1111 HydrophobicContact CD1-CB 3.99Å; L872-Q1111 HydrophobicContact CD1-CG 4.29Å; A1107-Q1111 VanDerWaalsContact O-CB 3.27Å; A1107-Q1111 WeakPolarHBondContact O-CB 3.45Å; A1107-Q1111 PolarHBondContact O-N 3.07Å; Q1111-Q1113 PolarHBondContact O-N 2.9Å; Q1111-Q1114 PolarHBondContact O-N 3.44Å; Q1111-R1115 WeakPolarHBondContact O-CB 3.3Å; Q1111-R1115 PolarHBondContact O-N 3.38Å
1112Y80.3Confident78.4Confident47 Ų4761.8 Ų61.818%0.18432%0.319CS..Hα-helixtrans-61.6-40.9179.4-86.7-86000112.9H184 P201 T823 I827 W831 N1110 A1116H184-Y1112 AromaticContact NE2-CE1 3.53Å; P201-Y1112 HydrophobicContact CG-CE2 4.48Å; P201-Y1112 WeakPolarHBondContact CG-OH 3.3Å; T823-Y1112 HydrophobicContact CG2-CE2 3.68Å; I827-Y1112 HydrophobicContact CD1-CD1 4.1Å; I827-Y1112 HydrophobicContact CD1-CD2 4.33Å; I827-Y1112 HydrophobicContact CD1-CE1 4.09Å; I827-Y1112 HydrophobicContact CD1-CE2 4.29Å; I827-Y1112 HydrophobicContact CD1-CG 4.24Å; I827-Y1112 HydrophobicContact CG1-CD1 4.19Å; I827-Y1112 HydrophobicContact CG1-CE1 3.79Å; W831-Y1112 AromaticContact CH2-CD1 3.59Å; W831-Y1112 HydrophobicContact CH2-CD1 3.59Å; W831-Y1112 AromaticContact CH2-CE1 3.99Å; W831-Y1112 HydrophobicContact CH2-CE1 3.99Å; W831-Y1112 AromaticContact CZ3-CD1 3.97Å; W831-Y1112 HydrophobicContact CZ3-CD1 3.97Å; W831-Y1112 HydrophobicContact CZ3-CE1 4.45Å; N1110-Y1112 PolarHBondContact O-N 2.99Å; Y1112-A1116 WeakPolarHBondContact O-CB 3.14Å; Y1112-A1116 PolarHBondContact O-N 2.94Å
1113Q76.2Confident76.5Confident142 Ų14261.6 Ų61.666%0.66432%0.317SS*.Hα-helixtrans-71.6-43.7-178.1-66.4-179.1-6.400111.7N1110 Q1111 A1116 G1117N1110-Q1113 PolarHBondContact O-N 3.4Å; Q1111-Q1113 PolarHBondContact O-N 2.9Å; Q1113-A1116 PolarHBondContact O-N 2.78Å; Q1113-G1117 PolarHBondContact O-N 3.46Å
1114Q75.9Confident74Confident65 Ų6561.8 Ų61.830%0.30434%0.336SS..Hα-helixtrans-62.2-45.2177.8-173.2-176.84.700110.9N1110 Q1111 G1117 L1118N1110-Q1114 PolarHBondContact O-N 3Å; Q1111-Q1114 PolarHBondContact O-N 3.44Å; Q1114-G1117 PolarHBondContact O-N 2.87Å; Q1114-L1118 HydrophobicContact CG-CD1 4.4Å; Q1114-L1118 WeakPolarHBondContact O-CG 3.46Å; Q1114-L1118 PolarHBondContact O-N 2.95Å
1115R75.4Confident71.2Confident9 Ų967.6 Ų67.63%0.03437%0.372CS..Hα-helixtrans-68-40.6179.8-167.757.2172.1-173-2.2112.2E824 I827 T828 P864 Q1111 G1117 L1118 L1119E824-R1115 WeakPolarHBondContact OE1-CD 3.28Å; E824-R1115 IonicContact OE1-CZ 3.98Å; E824-R1115 IonicContact OE1-NE 3.91Å; I827-R1115 HydrophobicContact CB-CG 4.27Å; I827-R1115 HydrophobicContact CG2-CB 4.04Å; I827-R1115 HydrophobicContact CG2-CG 3.33Å; T828-R1115 PolarHBondContact OG1-NH2 3.2Å; P864-R1115 PolarHBondContact O-NH1 3.27Å; Q1111-R1115 WeakPolarHBondContact O-CB 3.3Å; Q1111-R1115 PolarHBondContact O-N 3.38Å; R1115-G1117 VanDerWaalsContact C-N 3.32Å; R1115-G1117 PolarHBondContact O-N 3.4Å; R1115-L1118 PolarHBondContact O-N 3.3Å; R1115-L1119 HydrophobicContact CG-CD1 4.26Å; R1115-L1119 WeakPolarHBondContact O-CG 3.4Å; R1115-L1119 PolarHBondContact O-N 3.12Å
1116A69.1Low68.4Low11 Ų1176.5 Ų76.59%0.09139%0.394CS..Hα-helixtrans-58.3-43.1172.500000112.2P154 Y1112 Q1113 T1120P154-A1116 HydrophobicContact CG-CB 3.68Å; Y1112-A1116 WeakPolarHBondContact O-CB 3.14Å; Y1112-A1116 PolarHBondContact O-N 2.94Å; Q1113-A1116 PolarHBondContact O-N 2.78Å; A1116-T1120 PolarHBondContact O-N 3.37Å; A1116-T1120 VanDerWaalsContact O-N 3.13Å; A1116-T1120 PolarHBondContact O-OG1 3.19Å
1117G68.4Low67.3Low34 Ų3476 Ų7635%0.35139%0.393SS..Hα-helixtrans-61.7-47.2175.500000112.9Q1113 Q1114 R1115 L1119 T1120 L1121Q1113-G1117 PolarHBondContact O-N 3.46Å; Q1114-G1117 PolarHBondContact O-N 2.87Å; R1115-G1117 VanDerWaalsContact C-N 3.32Å; R1115-G1117 PolarHBondContact O-N 3.4Å; G1117-L1119 PolarHBondContact O-N 2.99Å; G1117-T1120 PolarHBondContact O-N 3.35Å; G1117-L1121 PolarHBondContact O-N 3.1Å; G1117-L1121 VanDerWaalsContact O-N 3.1Å
1118L67Low66.1Low50 Ų5079.9 Ų79.926%0.26241%0.413SS..Hα-helixtrans-61-43.7178.6-72.5171.8000112.6Q1114 R1115 T1120 L1121 Q1122Q1114-L1118 HydrophobicContact CG-CD1 4.4Å; Q1114-L1118 WeakPolarHBondContact O-CG 3.46Å; Q1114-L1118 PolarHBondContact O-N 2.95Å; R1115-L1118 PolarHBondContact O-N 3.3Å; L1118-T1120 VanDerWaalsContact C-N 3.29Å; L1118-T1120 PolarHBondContact O-N 2.88Å; L1118-L1121 PolarHBondContact O-N 3.18Å; L1118-Q1122 WeakPolarHBondContact O-CG 3.39Å; L1118-Q1122 PolarHBondContact O-N 2.84Å
1119L65.8Low64.9Low20 Ų2080.9 Ų80.911%0.10542%0.421CS..Hα-helixtrans-67-31.4178.5-70.4170000112.4W831 R1115 G1117 K1123W831-L1119 HydrophobicContact CB-CD1 3.72Å; W831-L1119 HydrophobicContact CE3-CD1 4.18Å; R1115-L1119 HydrophobicContact CG-CD1 4.26Å; R1115-L1119 WeakPolarHBondContact O-CG 3.4Å; R1115-L1119 PolarHBondContact O-N 3.12Å; G1117-L1119 PolarHBondContact O-N 2.99Å; L1119-K1123 PolarHBondContact O-N 3.14Å
1120T61.7Low63.7Low93 Ų9376.9 Ų76.957%0.57141%0.405SS*.Hα-helixtrans-69.8-40.4176-53.80000111.1A1116 G1117 L1118 K1123 G1124A1116-T1120 PolarHBondContact O-N 3.37Å; A1116-T1120 VanDerWaalsContact O-N 3.13Å; A1116-T1120 PolarHBondContact O-OG1 3.19Å; G1117-T1120 PolarHBondContact O-N 3.35Å; L1118-T1120 VanDerWaalsContact C-N 3.29Å; L1118-T1120 PolarHBondContact O-N 2.88Å; T1120-K1123 PolarHBondContact O-N 3.48Å; T1120-G1124 PolarHBondContact O-N 2.89Å
1121L59.5Low62.4Low127 Ų12777.9 Ų77.967%0.66541%0.41SS*.Hα-helixtrans-65.8-40.2175.5-71.5166.1000112.3G1117 L1118 K1123 G1124 T1125G1117-L1121 PolarHBondContact O-N 3.1Å; G1117-L1121 VanDerWaalsContact O-N 3.1Å; L1118-L1121 PolarHBondContact O-N 3.18Å; L1121-K1123 VanDerWaalsContact C-N 3.3Å; L1121-K1123 PolarHBondContact O-N 3.35Å; L1121-G1124 PolarHBondContact O-N 3.2Å; L1121-T1125 PolarHBondContact O-N 3.39Å; L1121-T1125 PolarHBondContact O-OG1 3.04Å
1122Q55.3Low60.8Low103 Ų10382.8 Ų82.848%0.48144%0.436SS..Hα-helixtrans-65.6-28.9177.9-76.2179.8-13.500113.8L1118 T1125L1118-Q1122 WeakPolarHBondContact O-CG 3.39Å; L1118-Q1122 PolarHBondContact O-N 2.84Å; Q1122-T1125 PolarHBondContact O-OG1 3.4Å
1123K51.7Low59.4Low107 Ų10785.4 Ų85.447%0.46545%0.454SS..Hα-helixtrans-81-21.7175-77.8-179.4179.2171.50113.5L1119 T1120 L1121L1119-K1123 PolarHBondContact O-N 3.14Å; T1120-K1123 PolarHBondContact O-N 3.48Å; L1121-K1123 VanDerWaalsContact C-N 3.3Å; L1121-K1123 PolarHBondContact O-N 3.35Å
1124G37.5Very low58.1Low66 Ų6681 Ų8168%0.6844%0.438SS*.Hα-helixtrans-82.1-13.1177.700000114.5T1120 L1121T1120-G1124 PolarHBondContact O-N 2.89Å; L1121-G1124 PolarHBondContact O-N 3.2Å
1125T34.8Very low56.6Low124 Ų12482.3 Ų82.376%0.76145%0.449SS*.  trans-99.7-2.4178.238.60000114.2L1121 Q1122L1121-T1125 PolarHBondContact O-N 3.39Å; L1121-T1125 PolarHBondContact O-OG1 3.04Å; Q1122-T1125 PolarHBondContact O-OG1 3.4Å
1126R33Very low54.9Low244 Ų24489 Ų8992%0.92149%0.487SS*.  trans-100.30164.7-78.7-172.9179.7158.86.1109.5D833D833-R1126 IonicContact OD1-NH1 3.98Å; D833-R1126 IonicContact OD2-CZ 3.67Å; D833-R1126 IonicContact OD2-NH1 3.43Å; D833-R1126 PolarHBondContact OD2-NH1 3.42Å; D833-R1126 IonicContact OD2-NH2 3.38Å; D833-R1126 PolarHBondContact OD2-NH2 3.31Å; D833-R1126 VanDerWaalsContact OD2-NH2 3.12Å

Retrieved 1,126 of 1,126 residues in 636.6 ms (Link to these results)

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