A0A077ZQW5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZQW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 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
1M50.5Low84.1Confident241 Ų241111.2 Ų111.2100%1.18761%0.607SS**  0123.10-65.8179.7-179.600106.6N3M1-N3 PolarHBondContact O-N 3.45Å
2A69.1Low85Confident72 Ų72110.6 Ų110.660%0.59560%0.602SS**  trans-54.9135.5178.700000109.3P4A2-P4 WeakPolarHBondContact O-CD 3.1Å
3N82.3Confident85.8Confident102 Ų102106.4 Ų106.455%0.54559%0.591SS.*  trans-78.3103.9-178.4-178-5.1000108.2M1 K5 A6 E7M1-N3 PolarHBondContact O-N 3.45Å; N3-K5 PolarHBondContact O-N 3.37Å; N3-K5 WeakPolarHBondContact OD1-CB 3.46Å; N3-K5 PolarHBondContact OD1-N 3.31Å; N3-A6 HydrophobicContact CB-CB 4.16Å; N3-A6 WeakPolarHBondContact O-CB 3.34Å; N3-A6 PolarHBondContact O-N 2.93Å; N3-E7 PolarHBondContact O-N 3.06Å
4P84.7Confident86.4Confident87 Ų87104 Ų10457%0.56558%0.581SS**Hα-helixtrans-61-26.3-172.725.9-35.1000112.2A2 L8A2-P4 WeakPolarHBondContact O-CD 3.1Å; P4-L8 WeakPolarHBondContact O-CG 3.46Å; P4-L8 PolarHBondContact O-N 2.95Å
5K90.5Very high86.9Confident140 Ų140105 Ų10561%0.60958%0.579SS**Hα-helixtrans-67-37.7175.7-171177.9179.5-1800112.3N3 Q9N3-K5 PolarHBondContact O-N 3.37Å; N3-K5 WeakPolarHBondContact OD1-CB 3.46Å; N3-K5 PolarHBondContact OD1-N 3.31Å; K5-Q9 WeakPolarHBondContact O-CG 3.35Å; K5-Q9 PolarHBondContact O-N 2.88Å; K5-Q9 VanDerWaalsContact O-N 3.1Å
6A90.1Very high87.3Confident50 Ų50106.7 Ų106.741%0.41358%0.582SS.*Hα-helixtrans-70.9-38.7178.800000111.5N3 Q9 S10N3-A6 HydrophobicContact CB-CB 4.16Å; N3-A6 WeakPolarHBondContact O-CB 3.34Å; N3-A6 PolarHBondContact O-N 2.93Å; A6-Q9 PolarHBondContact O-N 3.33Å; A6-S10 PolarHBondContact O-N 3.07Å
7E90.3Very high87.8Confident111 Ų111107.6 Ų107.652%0.51958%0.581SS.*Hα-helixtrans-64.1-45.6174.3-73.2-177.5173.800111.8N3 Q9 S10 I11N3-E7 PolarHBondContact O-N 3.06Å; E7-Q9 VanDerWaalsContact C-N 3.29Å; E7-Q9 PolarHBondContact O-N 3.13Å; E7-S10 WeakPolarHBondContact O-CB 3.37Å; E7-S10 PolarHBondContact O-N 3.1Å; E7-S10 VanDerWaalsContact O-N 3.13Å; E7-I11 WeakPolarHBondContact O-CG1 3.45Å; E7-I11 PolarHBondContact O-N 3.36Å
8L88.5Confident88.1Confident119 Ų119105.8 Ų105.862%0.62357%0.574SS**Hα-helixtrans-60.8-38.1176-72.9174.5000112.3P4 L12P4-L8 WeakPolarHBondContact O-CG 3.46Å; P4-L8 PolarHBondContact O-N 2.95Å; L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 PolarHBondContact O-N 3.47Å
9Q93.2Very high88.4Confident121 Ų121106.4 Ų106.457%0.56558%0.576SS**Hα-helixtrans-66.2-40.5173.9-76.8-179.8-17.900112.2K5 A6 E7 L12 A13K5-Q9 WeakPolarHBondContact O-CG 3.35Å; K5-Q9 PolarHBondContact O-N 2.88Å; K5-Q9 VanDerWaalsContact O-N 3.1Å; A6-Q9 PolarHBondContact O-N 3.33Å; E7-Q9 VanDerWaalsContact C-N 3.29Å; E7-Q9 PolarHBondContact O-N 3.13Å; Q9-L12 PolarHBondContact O-N 2.95Å; Q9-A13 WeakPolarHBondContact O-CB 3.45Å; Q9-A13 PolarHBondContact O-N 3.47Å
10S93.2Very high88.6Confident73 Ų73107.3 Ų107.351%0.5158%0.577SS.*Hα-helixtrans-64.4-42.9176.3-172.60000112.2A6 E7 A13 T14A6-S10 PolarHBondContact O-N 3.07Å; E7-S10 WeakPolarHBondContact O-CB 3.37Å; E7-S10 PolarHBondContact O-N 3.1Å; E7-S10 VanDerWaalsContact O-N 3.13Å; S10-A13 PolarHBondContact O-N 3.36Å; S10-T14 WeakPolarHBondContact O-CB 3.35Å; S10-T14 PolarHBondContact O-N 2.95Å; S10-T14 PolarHBondContact O-OG1 2.92Å
11I93.2Very high88.8Confident107 Ų107108.1 Ų108.155%0.54958%0.577SS.*Hα-helixtrans-64.7-44.9178-67.6166.2000110.1E7 A13 T14 Q15E7-I11 WeakPolarHBondContact O-CG1 3.45Å; E7-I11 PolarHBondContact O-N 3.36Å; I11-A13 PolarHBondContact O-N 3.49Å; I11-T14 PolarHBondContact O-N 3.36Å; I11-Q15 WeakPolarHBondContact O-CB 3.33Å; I11-Q15 PolarHBondContact O-N 2.76Å
12L94.9Very high90.7Very high104 Ų104100.9 Ų100.955%0.54555%0.546SS..Hα-helixtrans-61.5-44.3177.2-176.564.9000111.8L8 Q9 T14 Q15 Q16L8-L12 WeakPolarHBondContact O-CB 3.39Å; L8-L12 PolarHBondContact O-N 3.47Å; Q9-L12 PolarHBondContact O-N 2.95Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-T14 PolarHBondContact O-N 3.02Å; L12-Q15 PolarHBondContact O-N 3.29Å; L12-Q16 WeakPolarHBondContact O-CB 3.47Å; L12-Q16 PolarHBondContact O-N 2.97Å
13A95.2Very high91.8Very high56 Ų56100 Ų10046%0.46354%0.539SS..Hα-helixtrans-61.9-41.8176.700000112.1Q9 S10 I11 Q16 Q17Q9-A13 WeakPolarHBondContact O-CB 3.45Å; Q9-A13 PolarHBondContact O-N 3.47Å; S10-A13 PolarHBondContact O-N 3.36Å; I11-A13 PolarHBondContact O-N 3.49Å; A13-Q16 PolarHBondContact O-N 3.44Å; A13-Q17 WeakPolarHBondContact O-CB 3.49Å; A13-Q17 PolarHBondContact O-N 2.93Å
14T93.7Very high92.3Very high73 Ų73100.5 Ų100.545%0.44854%0.538SS..Hα-helixtrans-66.3-41.3178.3-53.30000111.5S10 I11 L12 Q17 T18S10-T14 WeakPolarHBondContact O-CB 3.35Å; S10-T14 PolarHBondContact O-N 2.95Å; S10-T14 PolarHBondContact O-OG1 2.92Å; I11-T14 PolarHBondContact O-N 3.36Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-T14 PolarHBondContact O-N 3.02Å; T14-Q17 PolarHBondContact O-N 3.41Å; T14-T18 WeakPolarHBondContact O-CB 3.46Å; T14-T18 PolarHBondContact O-N 3.29Å; T14-T18 PolarHBondContact O-OG1 3.02Å
15Q93.9Very high92.6Very high119 Ų119103.4 Ų103.456%0.55654%0.542SS*.Hα-helixtrans-63.8-42.6175.9-169.6-177.133.100111.2I11 L12 T18 L19I11-Q15 WeakPolarHBondContact O-CB 3.33Å; I11-Q15 PolarHBondContact O-N 2.76Å; L12-Q15 PolarHBondContact O-N 3.29Å; Q15-T18 PolarHBondContact O-N 3.5Å; Q15-L19 WeakPolarHBondContact O-CG 3.43Å; Q15-L19 PolarHBondContact O-N 3.06Å
16Q94.2Very high92.3Very high132 Ų132103.3 Ų103.362%0.61754%0.544SS*.Hα-helixtrans-65.3-40178.1-163.6162.125.500111.8L12 A13 L19 Q20L12-Q16 WeakPolarHBondContact O-CB 3.47Å; L12-Q16 PolarHBondContact O-N 2.97Å; A13-Q16 PolarHBondContact O-N 3.44Å; Q16-L19 PolarHBondContact O-N 3.27Å; Q16-Q20 PolarHBondContact O-N 3.12Å; Q16-Q20 VanDerWaalsContact O-N 3.13Å
17Q94.9Very high92.2Very high122 Ų122107 Ų10757%0.5755%0.552SS**Hα-helixtrans-63.6-41.3173.5-174.6-179.8-0.800112.3A13 T14 Q20 Q21A13-Q17 WeakPolarHBondContact O-CB 3.49Å; A13-Q17 PolarHBondContact O-N 2.93Å; T14-Q17 PolarHBondContact O-N 3.41Å; Q17-Q20 PolarHBondContact O-N 2.78Å; Q17-Q21 PolarHBondContact O-N 2.95Å
18T93.9Very high92.1Very high75 Ų75107.6 Ų107.646%0.4656%0.555SS.*Hα-helixtrans-65-43.5179.5-54.30000111.2T14 Q15 Q20 Q21 V22T14-T18 WeakPolarHBondContact O-CB 3.46Å; T14-T18 PolarHBondContact O-N 3.29Å; T14-T18 PolarHBondContact O-OG1 3.02Å; Q15-T18 PolarHBondContact O-N 3.5Å; T18-Q20 VanDerWaalsContact C-N 3.28Å; T18-Q20 PolarHBondContact O-N 3.39Å; T18-Q21 PolarHBondContact O-N 3.08Å; T18-V22 WeakPolarHBondContact O-CG2 3.45Å; T18-V22 PolarHBondContact O-N 3.13Å; T18-V22 VanDerWaalsContact O-N 3.12Å
19L93.3Very high92.1Very high117 Ų117108 Ų10861%0.61355%0.552SS**Hα-helixtrans-61.8-36.8175.4-73.4171.6000112.1Q15 Q16 V22 A23Q15-L19 WeakPolarHBondContact O-CG 3.43Å; Q15-L19 PolarHBondContact O-N 3.06Å; Q16-L19 PolarHBondContact O-N 3.27Å; L19-V22 PolarHBondContact O-N 3.39Å; L19-A23 PolarHBondContact O-N 3.03Å
20Q93.1Very high91.6Very high124 Ų124104.6 Ų104.658%0.57955%0.545SS*.Hα-helixtrans-68.9-37.4177.8-164.5166.65.100112.5Q16 Q17 T18 A23 Q24Q16-Q20 PolarHBondContact O-N 3.12Å; Q16-Q20 VanDerWaalsContact O-N 3.13Å; Q17-Q20 PolarHBondContact O-N 2.78Å; T18-Q20 VanDerWaalsContact C-N 3.28Å; T18-Q20 PolarHBondContact O-N 3.39Å; Q20-A23 PolarHBondContact O-N 3.28Å; Q20-Q24 WeakPolarHBondContact O-CG 3.41Å; Q20-Q24 PolarHBondContact O-N 3.45Å; Q20-Q24 VanDerWaalsContact O-N 3.08Å
21Q91.6Very high91.1Very high126 Ų126106.4 Ų106.459%0.58955%0.545SS*.Hα-helixtrans-63.3-42.1172.3-91.7-173.71.400112.5Q17 T18 Q24 F25Q17-Q21 PolarHBondContact O-N 2.95Å; T18-Q21 PolarHBondContact O-N 3.08Å; Q21-Q24 PolarHBondContact O-N 3.3Å; Q21-F25 PolarHBondContact O-N 2.99Å
22V91.5Very high90.5Very high89 Ų89105.1 Ų105.154%0.53954%0.543SS..Hα-helixtrans-64.8-41.3178.4174.10000111.1T18 L19 F25 Q26T18-V22 WeakPolarHBondContact O-CG2 3.45Å; T18-V22 PolarHBondContact O-N 3.13Å; T18-V22 VanDerWaalsContact O-N 3.12Å; L19-V22 PolarHBondContact O-N 3.39Å; V22-F25 PolarHBondContact O-N 3.29Å; V22-Q26 PolarHBondContact O-N 3.04Å
23A92.7Very high89.7Confident54 Ų54104.6 Ų104.645%0.44654%0.54SS..Hα-helixtrans-62.1-44.8176.400000112.2L19 Q20 F25 Q26 E27L19-A23 PolarHBondContact O-N 3.03Å; Q20-A23 PolarHBondContact O-N 3.28Å; A23-F25 PolarHBondContact O-N 3.02Å; A23-Q26 PolarHBondContact O-N 3.37Å; A23-E27 PolarHBondContact O-N 3.46Å
24Q92.7Very high89Confident111 Ų111107.8 Ų107.852%0.51955%0.545SS..Hα-helixtrans-62.5-41.5177-75.4-179.6-22.600112.4Q20 Q21 Q26 E27 Q28Q20-Q24 WeakPolarHBondContact O-CG 3.41Å; Q20-Q24 PolarHBondContact O-N 3.45Å; Q20-Q24 VanDerWaalsContact O-N 3.08Å; Q21-Q24 PolarHBondContact O-N 3.3Å; Q24-Q26 VanDerWaalsContact C-N 3.33Å; Q24-Q26 PolarHBondContact O-N 3.49Å; Q24-E27 PolarHBondContact O-N 3.4Å; Q24-Q28 WeakPolarHBondContact O-CG 3.47Å; Q24-Q28 PolarHBondContact O-N 3.36Å
25F89.5Confident88.2Confident149 Ų149113.5 Ų113.565%0.65456%0.559SS**Hα-helixtrans-65.1-39.2177.8-169.5-99.4000111.8Q21 V22 A23 F29Q21-F25 PolarHBondContact O-N 2.99Å; V22-F25 PolarHBondContact O-N 3.29Å; A23-F25 PolarHBondContact O-N 3.02Å; F25-F29 PolarHBondContact O-N 2.93Å
26Q84.4Confident87.3Confident137 Ų137112.7 Ų112.764%0.6456%0.557SS**Hα-helixtrans-64.4-39.8175.1-173.1-178.5-16.800112V22 A23 Q24 F29 A30V22-Q26 PolarHBondContact O-N 3.04Å; A23-Q26 PolarHBondContact O-N 3.37Å; Q24-Q26 VanDerWaalsContact C-N 3.33Å; Q24-Q26 PolarHBondContact O-N 3.49Å; Q26-F29 PolarHBondContact O-N 3.01Å; Q26-A30 WeakPolarHBondContact O-CB 3.46Å; Q26-A30 PolarHBondContact O-N 2.79Å
27E89.1Confident86.3Confident128 Ų128109.8 Ų109.860%0.59855%0.552SS**Hα-helixtrans-67.3-42.9178.7-160.6169.4-15600111.6A23 Q24 F29 A30 E31A23-E27 PolarHBondContact O-N 3.46Å; Q24-E27 PolarHBondContact O-N 3.4Å; E27-F29 VanDerWaalsContact C-N 3.29Å; E27-F29 PolarHBondContact O-N 3Å; E27-A30 PolarHBondContact O-N 2.85Å; E27-E31 WeakPolarHBondContact O-CG 3.47Å; E27-E31 PolarHBondContact O-N 3.2Å
28Q88.1Confident84.7Confident124 Ų124108.9 Ų108.958%0.57955%0.55SS**Hα-helixtrans-60.5-38.8173.1-74.3-173.9-27.100112.7Q24 T32Q24-Q28 WeakPolarHBondContact O-CG 3.47Å; Q24-Q28 PolarHBondContact O-N 3.36Å; Q28-T32 WeakPolarHBondContact O-CB 3.48Å; Q28-T32 PolarHBondContact O-N 3.35Å; Q28-T32 PolarHBondContact O-OG1 3.06Å
29F87.7Confident82.8Confident126 Ų126108.9 Ų108.955%0.55355%0.553SS**Hα-helixtrans-66.5-44.4175.8-175.2-103.8000111.5F25 Q26 E27 T32 L33F25-F29 PolarHBondContact O-N 2.93Å; Q26-F29 PolarHBondContact O-N 3.01Å; E27-F29 VanDerWaalsContact C-N 3.29Å; E27-F29 PolarHBondContact O-N 3Å; F29-T32 PolarHBondContact O-N 3.43Å; F29-L33 HydrophobicContact CD1-CD1 3.99Å; F29-L33 HydrophobicContact CD1-CG 4.49Å; F29-L33 HydrophobicContact CE1-CD1 3.45Å; F29-L33 VanDerWaalsContact CE1-CD1 3.45Å; F29-L33 HydrophobicContact CE1-CG 4.12Å; F29-L33 HydrophobicContact CZ-CD1 3.93Å; F29-L33 HydrophobicContact CZ-CD2 4.48Å; F29-L33 HydrophobicContact CZ-CG 4.25Å; F29-L33 PolarHBondContact O-N 3.33Å
30A82.5Confident81Confident50 Ų50110.1 Ų110.141%0.41356%0.556SS.*Hα-helixtrans-62.3-43.2176.500000112.1Q26 E27 T32 L33 Q34Q26-A30 WeakPolarHBondContact O-CB 3.46Å; Q26-A30 PolarHBondContact O-N 2.79Å; E27-A30 PolarHBondContact O-N 2.85Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.24Å; A30-L33 PolarHBondContact O-N 3.04Å; A30-Q34 WeakPolarHBondContact O-CB 3.35Å; A30-Q34 PolarHBondContact O-N 3.49Å
31E82.7Confident78.8Confident112 Ų112106.1 Ų106.152%0.52354%0.544SS..Hα-helixtrans-60.9-40.1174.4-77.7-170.6160.600112E27 Q34 R35E27-E31 WeakPolarHBondContact O-CG 3.47Å; E27-E31 PolarHBondContact O-N 3.2Å; E31-Q34 PolarHBondContact O-N 3.3Å; E31-R35 WeakPolarHBondContact O-CB 3.36Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.02Å
32T81.2Confident76.4Confident80 Ų80105.4 Ų105.449%0.49155%0.553SS.*Hα-helixtrans-64.6-43.7178.1-57.30000110.9Q28 F29 A30 R35 L36Q28-T32 WeakPolarHBondContact O-CB 3.48Å; Q28-T32 PolarHBondContact O-N 3.35Å; Q28-T32 PolarHBondContact O-OG1 3.06Å; F29-T32 PolarHBondContact O-N 3.43Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.24Å; T32-R35 PolarHBondContact O-N 2.84Å; T32-L36 HydrophobicContact CG2-CD1 4.33Å; T32-L36 WeakPolarHBondContact O-CG 3.41Å; T32-L36 PolarHBondContact O-N 2.87Å
33L77.9Confident74Confident92 Ų92106 Ų10648%0.48256%0.557SS.*Hα-helixtrans-64.6-40.4174.6-71.7-179.2000112.3F29 A30 L36 S37F29-L33 HydrophobicContact CD1-CD1 3.99Å; F29-L33 HydrophobicContact CD1-CG 4.49Å; F29-L33 HydrophobicContact CE1-CD1 3.45Å; F29-L33 VanDerWaalsContact CE1-CD1 3.45Å; F29-L33 HydrophobicContact CE1-CG 4.12Å; F29-L33 HydrophobicContact CZ-CD1 3.93Å; F29-L33 HydrophobicContact CZ-CD2 4.48Å; F29-L33 HydrophobicContact CZ-CG 4.25Å; F29-L33 PolarHBondContact O-N 3.33Å; A30-L33 PolarHBondContact O-N 3.04Å; L33-L36 PolarHBondContact O-N 2.9Å; L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.37Å
34Q80.5Confident71.5Confident124 Ų124110.7 Ų110.758%0.57957%0.57SS**Hα-helixtrans-69.6-36.2179.1-161.5176.61.800111.8A30 E31 S37 L38A30-Q34 WeakPolarHBondContact O-CB 3.35Å; A30-Q34 PolarHBondContact O-N 3.49Å; E31-Q34 PolarHBondContact O-N 3.3Å; Q34-S37 PolarHBondContact O-N 3.45Å; Q34-L38 HydrophobicContact CG-CD1 4.14Å; Q34-L38 WeakPolarHBondContact O-CB 3.38Å; Q34-L38 WeakPolarHBondContact O-CG 3.37Å; Q34-L38 PolarHBondContact O-N 2.8Å
35R77.9Confident68.8Low193 Ų193115.3 Ų115.373%0.72859%0.588SS**Hα-helixtrans-63.3-42.8172.1-80.7-178.3156.7-165.1-4.5112.2E31 T32 S39E31-R35 WeakPolarHBondContact O-CB 3.36Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.02Å; T32-R35 PolarHBondContact O-N 2.84Å; R35-S39 WeakPolarHBondContact O-CB 3.41Å; R35-S39 PolarHBondContact O-N 3.2Å; R35-S39 PolarHBondContact O-OG 3.32Å
36L74.8Confident66.1Low102 Ų102114.5 Ų114.553%0.53459%0.588SS.*Hα-helixtrans-63.1-42.8174-72.5164.5000110.9T32 L33 S39 Q40T32-L36 HydrophobicContact CG2-CD1 4.33Å; T32-L36 WeakPolarHBondContact O-CG 3.41Å; T32-L36 PolarHBondContact O-N 2.87Å; L33-L36 PolarHBondContact O-N 2.9Å; L36-S39 PolarHBondContact O-N 3.4Å; L36-S39 PolarHBondContact O-OG 2.87Å; L36-Q40 PolarHBondContact O-N 3.29Å
37S71.7Confident63.9Low71 Ų71114.3 Ų114.350%0.49760%0.596SS.*Hα-helixtrans-64.4-46.1176.2-177.20000113.1L33 Q34 S39 Q40 A41L33-S37 WeakPolarHBondContact O-CB 3.37Å; L33-S37 PolarHBondContact O-N 3.37Å; Q34-S37 PolarHBondContact O-N 3.45Å; S37-S39 VanDerWaalsContact C-N 3.29Å; S37-S39 PolarHBondContact O-N 3.46Å; S37-Q40 WeakPolarHBondContact O-CA 3.48Å; S37-Q40 WeakPolarHBondContact O-CB 3.33Å; S37-Q40 PolarHBondContact O-N 3Å; S37-A41 PolarHBondContact O-N 3.37Å
38L61.5Low61.5Low103 Ų103117.2 Ų117.254%0.53960%0.601SS.*Hα-helixtrans-64.9-31.7176.3-77.8162.5000112.6Q34 Q40 A41 S42Q34-L38 HydrophobicContact CG-CD1 4.14Å; Q34-L38 WeakPolarHBondContact O-CB 3.38Å; Q34-L38 WeakPolarHBondContact O-CG 3.37Å; Q34-L38 PolarHBondContact O-N 2.8Å; L38-Q40 PolarHBondContact O-N 2.96Å; L38-A41 PolarHBondContact O-N 3.36Å; L38-S42 PolarHBondContact O-N 3.07Å; L38-S42 VanDerWaalsContact O-N 3.07Å
39S55.6Low59.3Low75 Ų75116.4 Ų116.452%0.52461%0.609SS.*Hα-helixtrans-66.7-24.7172.977.20000112.7R35 L36 S37R35-S39 WeakPolarHBondContact O-CB 3.41Å; R35-S39 PolarHBondContact O-N 3.2Å; R35-S39 PolarHBondContact O-OG 3.32Å; L36-S39 PolarHBondContact O-N 3.4Å; L36-S39 PolarHBondContact O-OG 2.87Å; S37-S39 VanDerWaalsContact C-N 3.29Å; S37-S39 PolarHBondContact O-N 3.46Å
40Q53.8Low57.1Low143 Ų143119 Ų11967%0.66862%0.622SS**Hα-helixtrans-78.5-38169.8-64.4-179.6-15.900111.4L36 S37 L38 S42 T43L36-Q40 PolarHBondContact O-N 3.29Å; S37-Q40 WeakPolarHBondContact O-CA 3.48Å; S37-Q40 WeakPolarHBondContact O-CB 3.33Å; S37-Q40 PolarHBondContact O-N 3Å; L38-Q40 PolarHBondContact O-N 2.96Å; Q40-S42 PolarHBondContact O-N 3.07Å; Q40-T43 PolarHBondContact O-N 3.28Å; Q40-T43 PolarHBondContact O-OG1 3.18Å
41A48.4Very low55.4Low39 Ų39120.4 Ų120.432%0.32263%0.628SS.*Hα-helixtrans-68.2-28.6179.400000114.1S37 L38 T43 E44S37-A41 PolarHBondContact O-N 3.37Å; L38-A41 PolarHBondContact O-N 3.36Å; A41-T43 PolarHBondContact O-N 2.86Å; A41-E44 WeakPolarHBondContact O-CB 3.37Å; A41-E44 WeakPolarHBondContact O-CG 3.36Å; A41-E44 PolarHBondContact O-N 2.66Å
42S40.4Very low54.2Low111 Ų111119.1 Ų119.178%0.77663%0.628SS**THydrogen-bonded Turntrans-72.56.6173.3-73.20000114.5L38 Q40L38-S42 PolarHBondContact O-N 3.07Å; L38-S42 VanDerWaalsContact O-N 3.07Å; Q40-S42 PolarHBondContact O-N 3.07Å
43T40.7Very low52.9Low103 Ų103120.2 Ų120.263%0.63263%0.63SS**THydrogen-bonded Turntrans-96.34.7165.465.40000113.9Q40 A41 K45 M46Q40-T43 PolarHBondContact O-N 3.28Å; Q40-T43 PolarHBondContact O-OG1 3.18Å; A41-T43 PolarHBondContact O-N 2.86Å; T43-K45 PolarHBondContact O-N 3.41Å; T43-K45 VanDerWaalsContact O-N 3.09Å; T43-M46 PolarHBondContact O-N 3.19Å
44E40.3Very low51.9Low152 Ų152121.7 Ų121.771%0.7164%0.638SS**THydrogen-bonded Turntrans-69.6-3.9179.3-74.2-179.6175.300115.1A41A41-E44 WeakPolarHBondContact O-CB 3.37Å; A41-E44 WeakPolarHBondContact O-CG 3.36Å; A41-E44 PolarHBondContact O-N 2.66Å
45K36.4Very low51.2Low208 Ų208119.4 Ų119.490%0.90463%0.633SS**THydrogen-bonded Turntrans-100.344.5166.3-73.8-168.8-179.8179.50113.2T43T43-K45 PolarHBondContact O-N 3.41Å; T43-K45 VanDerWaalsContact O-N 3.09Å
46M33.1Very low49.9Very low131 Ų131112.2 Ų112.265%0.64561%0.609SS**  trans-157.458.4151.4-159.965.8166.200111T43 R48T43-M46 PolarHBondContact O-N 3.19Å; M46-R48 HydrophobicContact CE-CG 4.34Å; M46-R48 PolarHBondContact O-N 3.5Å
47V37.8Very low49.1Very low133 Ų133110.1 Ų110.181%0.80661%0.606SS**  trans-66.885.8160177.90000107.8
48R38.4Very low49Very low190 Ų190110.9 Ų110.972%0.71762%0.617SS**  trans-104.4107.6149-81.3-170.6-167.3178.94105.7M46 H50M46-R48 HydrophobicContact CE-CG 4.34Å; M46-R48 PolarHBondContact O-N 3.5Å; R48-H50 PolarHBondContact O-N 3.43Å; R48-H50 VanDerWaalsContact O-N 3.08Å
49S43Very low49.2Very low107 Ų107109.3 Ų109.375%0.74861%0.614SS**  trans-26.4112.916452.10000110.8P51S49-P51 VanDerWaalsContact O-CD 3.3Å; S49-P51 WeakPolarHBondContact O-CD 3.47Å; S49-P51 VanDerWaalsContact O-N 3.12Å
50H40.6Very low50Low179 Ų179109.3 Ų109.383%0.82961%0.608SS**PPolyproline II helixtrans-56.9119.2177.5-79.2-87.5000108.5R48 T52R48-H50 PolarHBondContact O-N 3.43Å; R48-H50 VanDerWaalsContact O-N 3.08Å; H50-T52 PolarHBondContact O-N 3.03Å
51P47.8Very low50.9Low81 Ų81105.4 Ų105.453%0.52660%0.596SS.*PPolyproline II helixtrans-60.6129.6173.722.2-29.4000108.4S49 T55S49-P51 VanDerWaalsContact O-CD 3.3Å; S49-P51 WeakPolarHBondContact O-CD 3.47Å; S49-P51 VanDerWaalsContact O-N 3.12Å; P51-T55 HydrophobicContact CB-CG2 3.73Å
52T57.5Low52Low85 Ų85112.4 Ų112.452%0.52162%0.622SS.*PPolyproline II helixtrans-59.5160.2171.6560000109.8H50 D54 T55 L56H50-T52 PolarHBondContact O-N 3.03Å; T52-D54 PolarHBondContact O-N 2.86Å; T52-T55 WeakPolarHBondContact O-CA 3.34Å; T52-T55 WeakPolarHBondContact O-CB 3.35Å; T52-T55 PolarHBondContact O-N 3.49Å; T52-T55 PolarHBondContact OG1-OG1 3.28Å; T52-L56 PolarHBondContact O-N 3.34Å
53L52.1Low53.6Low103 Ų103110.3 Ų110.354%0.53960%0.599SS.*Hα-helixtrans-54.6-37.3-178.8-169.1146.8000111.8L56 A57L53-L56 WeakPolarHBondContact O-CB 3.38Å; L53-L56 PolarHBondContact O-N 2.93Å; L53-A57 PolarHBondContact O-N 2.97Å
54D56.9Low55Low123 Ų123112.5 Ų112.566%0.65861%0.607SS**Hα-helixtrans-67.8-37.7176-53.2-53.3000112.7T52 L56 A57 A58T52-D54 PolarHBondContact O-N 2.86Å; D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 PolarHBondContact O-N 3.42Å; D54-A57 PolarHBondContact O-N 3.45Å; D54-A58 VanDerWaalsContact O-CB 3.29Å; D54-A58 WeakPolarHBondContact O-CB 3.18Å; D54-A58 PolarHBondContact O-N 3.18Å
55T65.8Low56.3Low76 Ų76112.1 Ų112.147%0.46660%0.6SS.*Hα-helixtrans-64.2-37.7174.4-53.10000110.8P51 T52 S59P51-T55 HydrophobicContact CB-CG2 3.73Å; T52-T55 WeakPolarHBondContact O-CA 3.34Å; T52-T55 WeakPolarHBondContact O-CB 3.35Å; T52-T55 PolarHBondContact O-N 3.49Å; T52-T55 PolarHBondContact OG1-OG1 3.28Å; T55-S59 WeakPolarHBondContact O-CB 3.17Å; T55-S59 PolarHBondContact O-N 2.96Å
56L52.1Low57.9Low42 Ų42105.5 Ų105.522%0.2258%0.575CS.*Hα-helixtrans-69.2-46.9176.518069.6000111.4T52 L53 D54 A58 S59 I60T52-L56 PolarHBondContact O-N 3.34Å; L53-L56 WeakPolarHBondContact O-CB 3.38Å; L53-L56 PolarHBondContact O-N 2.93Å; D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 PolarHBondContact O-N 3.42Å; L56-A58 VanDerWaalsContact C-N 3.3Å; L56-A58 PolarHBondContact O-N 3.22Å; L56-S59 WeakPolarHBondContact O-CB 2.89Å; L56-S59 PolarHBondContact O-N 3.43Å; L56-S59 PolarHBondContact O-OG 2.95Å; L56-I60 PolarHBondContact O-N 3.04Å
57A58.2Low59.9Low58 Ų58104 Ų10448%0.47957%0.574SS.*Hα-helixtrans-58-45.3176.100000110.7L53 D54 S59 I60L53-A57 PolarHBondContact O-N 2.97Å; D54-A57 PolarHBondContact O-N 3.45Å; A57-S59 PolarHBondContact O-N 2.95Å; A57-I60 PolarHBondContact O-N 3.36Å; A57-I60 VanDerWaalsContact O-N 3.12Å
58A68.6Low61.9Low87 Ų87102.3 Ų102.372%0.71957%0.568SS**Hα-helixtrans-63.6-24174.400000113.8D54 L56D54-A58 VanDerWaalsContact O-CB 3.29Å; D54-A58 WeakPolarHBondContact O-CB 3.18Å; D54-A58 PolarHBondContact O-N 3.18Å; L56-A58 VanDerWaalsContact C-N 3.3Å; L56-A58 PolarHBondContact O-N 3.22Å
59S66.3Low63.4Low69 Ų6997.1 Ų97.148%0.48356%0.558SS.*Hα-helixtrans-80.1-17.8176.580.10000113.7T55 L56 A57 S61 K80T55-S59 WeakPolarHBondContact O-CB 3.17Å; T55-S59 PolarHBondContact O-N 2.96Å; L56-S59 WeakPolarHBondContact O-CB 2.89Å; L56-S59 PolarHBondContact O-N 3.43Å; L56-S59 PolarHBondContact O-OG 2.95Å; A57-S59 PolarHBondContact O-N 2.95Å; S59-S61 PolarHBondContact O-N 2.68Å; S59-K80 PolarHBondContact O-NZ 3.34Å; S59-K80 VanDerWaalsContact O-NZ 3.12Å
60I71.1Confident64.7Low76 Ų76100.3 Ų100.339%0.3956%0.561SS.*SBendtrans-87.990.7173.5-57.2170.3000106.8L56 A57 E62 W76L56-I60 PolarHBondContact O-N 3.04Å; A57-I60 PolarHBondContact O-N 3.36Å; A57-I60 VanDerWaalsContact O-N 3.12Å; I60-E62 PolarHBondContact O-N 3.21Å; I60-W76 HydrophobicContact CG2-CH2 4.03Å; I60-W76 HydrophobicContact CG2-CZ2 3.82Å
61S73.2Confident66.1Low60 Ų6094.1 Ų94.142%0.4253%0.534SS..  trans-45.8122.7168.153.40000110.5S59 W76 K80S59-S61 PolarHBondContact O-N 2.68Å; S61-W76 VanDerWaalsContact O-CZ2 3.26Å; S61-W76 WeakPolarHBondContact O-CZ2 3.28Å; S61-W76 PolarHBondContact O-NE1 2.91Å; S61-K80 WeakPolarHBondContact OG-CE 3.48Å; S61-K80 PolarHBondContact OG-NZ 3.03Å
62E72Confident67.5Low186 Ų18693.8 Ų93.887%0.86953%0.531SS*.  trans-54.2142176.4-163.9163.2-164.500110.3I60 D64I60-E62 PolarHBondContact O-N 3.21Å; E62-D64 PolarHBondContact O-N 3.03Å
63F73.7Confident68.3Low67 Ų6795 Ų9529%0.29453%0.529SS..  trans-84.2111.1177173-103.1000108.3Y65 F73 W76F63-Y65 HydrophobicContact CZ-CD2 4.16Å; F63-F73 HydrophobicContact CD1-CD2 4.02Å; F63-F73 HydrophobicContact CD2-CD2 4.41Å; F63-F73 HydrophobicContact CE1-CB 4.16Å; F63-F73 HydrophobicContact CE1-CD2 4.19Å; F63-F73 HydrophobicContact CE2-CB 4.21Å; F63-F73 HydrophobicContact CG-CD2 4.13Å; F63-F73 HydrophobicContact CZ-CB 3.85Å; F63-F73 HydrophobicContact CZ-CD2 4.47Å; F63-W76 HydrophobicContact CB-CD2 4.17Å; F63-W76 HydrophobicContact CB-CG 4.5Å; F63-W76 HydrophobicContact CB-CZ2 4.37Å; F63-W76 HydrophobicContact CD2-CB 3.8Å; F63-W76 AromaticContact CD2-CD1 3.97Å; F63-W76 HydrophobicContact CD2-CD2 4.13Å; F63-W76 AromaticContact CD2-CG 3.72Å; F63-W76 HydrophobicContact CD2-CG 3.72Å; F63-W76 HydrophobicContact CE2-CB 4.13Å
64D69.9Low69.3Low149 Ų14996 Ų9680%0.79753%0.531SS*.  trans-109.2126.8170.2-165.35.7000108.9E62 D66E62-D64 PolarHBondContact O-N 3.03Å; D64-D66 PolarHBondContact O-N 3.08Å
65Y67.3Low70Confident144 Ų14492.1 Ų92.157%0.56552%0.515SS*.  trans-89.4105.2-175.4176.3-103.1000109.8F63 P67F63-Y65 HydrophobicContact CZ-CD2 4.16Å; Y65-P67 HydrophobicContact CE1-CB 4.23Å
66D70Confident70.6Confident70 Ų7090 Ų9037%0.37450%0.499SS..  trans-98.9111.6172.4-177.4-11.5000110.6D64 S68 T69D64-D66 PolarHBondContact O-N 3.08Å; D66-S68 PolarHBondContact O-N 3.11Å; D66-S68 VanDerWaalsContact O-N 3.09Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 3.16Å; D66-S68 PolarHBondContact OD1-OG 3.48Å; D66-S68 PolarHBondContact OD2-OG 2.88Å; D66-S68 VanDerWaalsContact OD2-OG 3.1Å; D66-T69 HydrophobicContact CB-CG2 4Å; D66-T69 PolarHBondContact O-N 3.46Å; D66-T69 VanDerWaalsContact O-N 3.07Å; D66-T69 PolarHBondContact O-OG1 2.61Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.26Å
67P75.1Confident71.4Confident99 Ų9992.3 Ų92.364%0.64351%0.508SS*.THydrogen-bonded Turntrans-63.2-16.2-17925.9-33.7000114.1Y65Y65-P67 HydrophobicContact CE1-CB 4.23Å
68S81Confident72.2Confident97 Ų9792.2 Ų92.268%0.67850%0.503SS*.THydrogen-bonded Turntrans-82.7-17.4176.472.90000114D66D66-S68 PolarHBondContact O-N 3.11Å; D66-S68 VanDerWaalsContact O-N 3.09Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 3.16Å; D66-S68 PolarHBondContact OD1-OG 3.48Å; D66-S68 PolarHBondContact OD2-OG 2.88Å; D66-S68 VanDerWaalsContact OD2-OG 3.1Å
69T70.2Confident72.2Confident81 Ų8193.8 Ų93.850%0.49749%0.49SS..SBendtrans-97.6-8.7-173.762.50000114.5D66 D71D66-T69 HydrophobicContact CB-CG2 4Å; D66-T69 PolarHBondContact O-N 3.46Å; D66-T69 VanDerWaalsContact O-N 3.07Å; D66-T69 PolarHBondContact O-OG1 2.61Å; D66-T69 WeakPolarHBondContact OD2-CG2 3.26Å; T69-D71 PolarHBondContact O-N 3.03Å
70E70.3Confident72.2Confident174 Ų17492.7 Ų92.781%0.81348%0.477SS*.  trans49.810-171.1-64.9-169.9168.600114.9T72E70-T72 PolarHBondContact O-N 3.26Å
71D69.7Low71.6Confident50 Ų5096 Ų9627%0.26749%0.489SS..  trans-70.6109.3178.6-15917.6000108.5T69 A75 R79T69-D71 PolarHBondContact O-N 3.03Å; D71-A75 VanDerWaalsContact OD1-CB 3.25Å; D71-A75 WeakPolarHBondContact OD1-CB 3.26Å; D71-R79 IonicContact OD1-NH1 2.97Å; D71-R79 IonicContact OD2-CZ 3.64Å; D71-R79 IonicContact OD2-NH1 3.04Å; D71-R79 PolarHBondContact OD2-NH1 2.67Å; D71-R79 VanDerWaalsContact OD2-NH1 3.15Å; D71-R79 IonicContact OD2-NH2 2.67Å; D71-R79 PolarHBondContact OD2-NH2 2.85Å
72T77.2Confident70.7Confident74 Ų7498.5 Ų98.545%0.45450%0.502SS..  trans-82.3155.5178.760.20000110.4E70 E74 A75 W76E70-T72 PolarHBondContact O-N 3.26Å; T72-E74 PolarHBondContact O-N 3.05Å; T72-E74 VanDerWaalsContact O-N 3.12Å; T72-A75 PolarHBondContact O-N 2.69Å; T72-A75 PolarHBondContact OG1-N 3.15Å; T72-W76 PolarHBondContact O-N 3.46Å
73F72.9Confident69.5Low110 Ų11092.3 Ų92.348%0.48248%0.478SS..Hα-helixtrans-51.1-36.8171178-97.1000111.9F63 W76 F77F63-F73 HydrophobicContact CD1-CD2 4.02Å; F63-F73 HydrophobicContact CD2-CD2 4.41Å; F63-F73 HydrophobicContact CE1-CB 4.16Å; F63-F73 HydrophobicContact CE1-CD2 4.19Å; F63-F73 HydrophobicContact CE2-CB 4.21Å; F63-F73 HydrophobicContact CG-CD2 4.13Å; F63-F73 HydrophobicContact CZ-CB 3.85Å; F63-F73 HydrophobicContact CZ-CD2 4.47Å; F73-W76 HydrophobicContact CD2-CE3 4.21Å; F73-W76 AromaticContact CE2-CE3 4Å; F73-W76 HydrophobicContact CE2-CE3 4Å; F73-W76 AromaticContact CE2-CZ3 3.87Å; F73-W76 HydrophobicContact CE2-CZ3 3.87Å; F73-W76 HydrophobicContact CZ-CZ3 4.34Å; F73-W76 PolarHBondContact O-N 3.11Å; F73-F77 HydrophobicContact CE1-CB 4.39Å; F73-F77 WeakPolarHBondContact O-CB 3.41Å; F73-F77 PolarHBondContact O-N 2.97Å
74E74.8Confident68.1Low125 Ų12593.4 Ų93.458%0.58450%0.495SS*.Hα-helixtrans-64.1-40.6179.3-147.166.5-148.200112.7T72 S78T72-E74 PolarHBondContact O-N 3.05Å; T72-E74 VanDerWaalsContact O-N 3.12Å; E74-S78 VanDerWaalsContact O-CB 3.23Å; E74-S78 WeakPolarHBondContact O-CB 3.35Å; E74-S78 PolarHBondContact O-N 3.06Å; E74-S78 PolarHBondContact O-OG 3.06Å
75A71.8Confident66.5Low40 Ų4091.6 Ų91.633%0.33149%0.489SS..Hα-helixtrans-71.4-42.6177.200000111.7D71 T72 S78 R79D71-A75 VanDerWaalsContact OD1-CB 3.25Å; D71-A75 WeakPolarHBondContact OD1-CB 3.26Å; T72-A75 PolarHBondContact O-N 2.69Å; T72-A75 PolarHBondContact OG1-N 3.15Å; A75-S78 PolarHBondContact O-N 3.18Å; A75-R79 WeakPolarHBondContact O-CB 3.35Å; A75-R79 PolarHBondContact O-N 3.42Å
76W77.7Confident64.9Low33 Ų3388.6 Ų88.613%0.12548%0.483CS..Hα-helixtrans-58.7-47.2171.3173.699000111.7I60 S61 F63 T72 F73 R79 K80I60-W76 HydrophobicContact CG2-CH2 4.03Å; I60-W76 HydrophobicContact CG2-CZ2 3.82Å; S61-W76 VanDerWaalsContact O-CZ2 3.26Å; S61-W76 WeakPolarHBondContact O-CZ2 3.28Å; S61-W76 PolarHBondContact O-NE1 2.91Å; F63-W76 HydrophobicContact CB-CD2 4.17Å; F63-W76 HydrophobicContact CB-CG 4.5Å; F63-W76 HydrophobicContact CB-CZ2 4.37Å; F63-W76 HydrophobicContact CD2-CB 3.8Å; F63-W76 AromaticContact CD2-CD1 3.97Å; F63-W76 HydrophobicContact CD2-CD2 4.13Å; F63-W76 AromaticContact CD2-CG 3.72Å; F63-W76 HydrophobicContact CD2-CG 3.72Å; F63-W76 HydrophobicContact CE2-CB 4.13Å; T72-W76 PolarHBondContact O-N 3.46Å; F73-W76 HydrophobicContact CD2-CE3 4.21Å; F73-W76 AromaticContact CE2-CE3 4Å; F73-W76 HydrophobicContact CE2-CE3 4Å; F73-W76 AromaticContact CE2-CZ3 3.87Å; F73-W76 HydrophobicContact CE2-CZ3 3.87Å; F73-W76 HydrophobicContact CZ-CZ3 4.34Å; F73-W76 PolarHBondContact O-N 3.11Å; W76-R79 WeakPolarHBondContact O-CB 3.33Å; W76-R79 PolarHBondContact O-N 3.07Å; W76-K80 HydrophobicContact CD2-CG 4.44Å; W76-K80 HydrophobicContact CZ2-CG 4.16Å; W76-K80 PolarHBondContact O-N 3.27Å
77F67.6Low63.6Low90 Ų9093.8 Ų93.840%0.39550%0.502SS..Hα-helixtrans-64.9-43179.4-178-104.9000111.1F73 R79 K80 K81F73-F77 HydrophobicContact CE1-CB 4.39Å; F73-F77 WeakPolarHBondContact O-CB 3.41Å; F73-F77 PolarHBondContact O-N 2.97Å; F77-R79 VanDerWaalsContact C-N 3.34Å; F77-R79 PolarHBondContact O-N 2.97Å; F77-K80 PolarHBondContact O-N 2.75Å; F77-K81 HydrophobicContact CD1-CD 4.45Å; F77-K81 HydrophobicContact CE1-CD 3.87Å; F77-K81 HydrophobicContact CZ-CD 4.46Å; F77-K81 WeakPolarHBondContact O-CB 3.33Å; F77-K81 PolarHBondContact O-N 2.99Å
78S75.1Confident61.9Low55 Ų5594 Ų9439%0.38550%0.503SS..Hα-helixtrans-60.4-40.9175.3-66.50000112.3E74 A75 K81 T82E74-S78 VanDerWaalsContact O-CB 3.23Å; E74-S78 WeakPolarHBondContact O-CB 3.35Å; E74-S78 PolarHBondContact O-N 3.06Å; E74-S78 PolarHBondContact O-OG 3.06Å; A75-S78 PolarHBondContact O-N 3.18Å; S78-K81 PolarHBondContact O-N 3.41Å; S78-T82 WeakPolarHBondContact O-CB 3.35Å; S78-T82 VanDerWaalsContact O-CG2 3.27Å; S78-T82 WeakPolarHBondContact O-CG2 3.28Å; S78-T82 PolarHBondContact O-N 3.1Å; S78-T82 PolarHBondContact O-OG1 3.34Å
79R69.7Low59.4Low120 Ų12094.1 Ų94.145%0.45349%0.489SS..Hα-helixtrans-63.7-42.8175.2-177.9171.562-113.211.3111.9D71 A75 W76 F77 T82 S83D71-R79 IonicContact OD1-NH1 2.97Å; D71-R79 IonicContact OD2-CZ 3.64Å; D71-R79 IonicContact OD2-NH1 3.04Å; D71-R79 PolarHBondContact OD2-NH1 2.67Å; D71-R79 VanDerWaalsContact OD2-NH1 3.15Å; D71-R79 IonicContact OD2-NH2 2.67Å; D71-R79 PolarHBondContact OD2-NH2 2.85Å; A75-R79 WeakPolarHBondContact O-CB 3.35Å; A75-R79 PolarHBondContact O-N 3.42Å; W76-R79 WeakPolarHBondContact O-CB 3.33Å; W76-R79 PolarHBondContact O-N 3.07Å; F77-R79 VanDerWaalsContact C-N 3.34Å; F77-R79 PolarHBondContact O-N 2.97Å; R79-T82 PolarHBondContact O-OG1 3.13Å; R79-S83 PolarHBondContact O-N 2.86Å; R79-S83 VanDerWaalsContact O-N 3.09Å
80K65.1Low57.8Low47 Ų4793.8 Ų93.820%0.20449%0.489CS..Hα-helixtrans-69.3-38.2175.3-70.7-66.3-173.5-176.60112.1S59 S61 W76 F77 S83 L86S59-K80 PolarHBondContact O-NZ 3.34Å; S59-K80 VanDerWaalsContact O-NZ 3.12Å; S61-K80 WeakPolarHBondContact OG-CE 3.48Å; S61-K80 PolarHBondContact OG-NZ 3.03Å; W76-K80 HydrophobicContact CD2-CG 4.44Å; W76-K80 HydrophobicContact CZ2-CG 4.16Å; W76-K80 PolarHBondContact O-N 3.27Å; F77-K80 PolarHBondContact O-N 2.75Å; K80-S83 PolarHBondContact O-N 2.88Å; K80-L86 VanDerWaalsContact O-CD1 3.23Å; K80-L86 WeakPolarHBondContact O-CD1 3.43Å
81K59.5Low56.1Low146 Ų14688.2 Ų88.264%0.63547%0.469SS*.Hα-helixtrans-65.6-36.7177.2-175.3169.3-176.3164.40112.8F77 S78F77-K81 HydrophobicContact CD1-CD 4.45Å; F77-K81 HydrophobicContact CE1-CD 3.87Å; F77-K81 HydrophobicContact CZ-CD 4.46Å; F77-K81 WeakPolarHBondContact O-CB 3.33Å; F77-K81 PolarHBondContact O-N 2.99Å; S78-K81 PolarHBondContact O-N 3.41Å
82T54.5Low54.2Low112 Ų11290.4 Ų90.469%0.68748%0.479SS*.Hα-helixtrans-84.1-20.4178.753.10000113.4S78 R79 S84S78-T82 WeakPolarHBondContact O-CB 3.35Å; S78-T82 VanDerWaalsContact O-CG2 3.27Å; S78-T82 WeakPolarHBondContact O-CG2 3.28Å; S78-T82 PolarHBondContact O-N 3.1Å; S78-T82 PolarHBondContact O-OG1 3.34Å; R79-T82 PolarHBondContact O-OG1 3.13Å; T82-S84 PolarHBondContact O-N 3.43Å
83S45.9Very low52Low55 Ų5593.7 Ų93.739%0.38549%0.491SS..SBendtrans-60.9107.3167.4-175.10000109.1R79 K80 T85 L86R79-S83 PolarHBondContact O-N 2.86Å; R79-S83 VanDerWaalsContact O-N 3.09Å; K80-S83 PolarHBondContact O-N 2.88Å; S83-T85 PolarHBondContact O-N 3.21Å; S83-T85 PolarHBondContact OG-OG1 2.68Å; S83-L86 PolarHBondContact O-N 2.97Å
84S44.8Very low50.4Low91 Ų9194.5 Ų94.564%0.63650%0.497SS*.G310 helixtrans-54-4.1-178.441.10000115.3T82 K87T82-S84 PolarHBondContact O-N 3.43Å; S84-K87 WeakPolarHBondContact O-CG 3.5Å
85T36.5Very low48.5Very low110 Ų11095.7 Ų95.768%0.67550%0.502SS*.G310 helixtrans-78.6-12178.5-33.20000113.6S83 K87S83-T85 PolarHBondContact O-N 3.21Å; S83-T85 PolarHBondContact OG-OG1 2.68Å; T85-K87 VanDerWaalsContact C-N 3.28Å; T85-K87 PolarHBondContact O-N 3.1Å
86L33.7Very low46.9Very low82 Ų8296.8 Ų96.843%0.42951%0.511SS..G310 helixtrans-84.36.1173.2-72.9178.2000114.4K80 S83K80-L86 VanDerWaalsContact O-CD1 3.23Å; K80-L86 WeakPolarHBondContact O-CD1 3.43Å; S83-L86 PolarHBondContact O-N 2.97Å
87K42.5Very low45Very low179 Ų17997.7 Ų97.778%0.77852%0.516SS*.THydrogen-bonded Turntrans-67.6-29.1-170.1-79.1-164.2173.9-173.30117S84 T85S84-K87 WeakPolarHBondContact O-CG 3.5Å; T85-K87 VanDerWaalsContact C-N 3.28Å; T85-K87 PolarHBondContact O-N 3.1Å
88P38.6Very low43.5Very low102 Ų10294.4 Ų94.466%0.66251%0.507SS*.THydrogen-bonded Turntrans-105.84-179.1-6.427.4000118.2S91P88-S91 PolarHBondContact O-OG 3.27Å
89R30.1Very low41.5Very low101 Ų10195.8 Ų95.838%0.38152%0.516SS..THydrogen-bonded Turntrans-125.5-1.8-176.2-128.5177.791.8108.68.5117.9S91 M92R89-S91 PolarHBondContact O-N 2.72Å; R89-M92 HydrophobicContact CG-CB 4.01Å; R89-M92 HydrophobicContact CG-CE 4.2Å; R89-M92 VanDerWaalsContact CZ-SD 3.5Å; R89-M92 PolarHBondContact NH1-SD 3.09Å; R89-M92 PolarHBondContact O-N 3.34Å; R89-M92 VanDerWaalsContact O-N 3.11Å
90S35.5Very low40.1Very low73 Ų7393 Ų9351%0.5151%0.514SS..Hα-helixtrans-57.1-27.1157.9177.50000111.3M92 M93 Q94S90-M92 VanDerWaalsContact C-N 3.3Å; S90-M92 PolarHBondContact O-N 3.07Å; S90-M93 PolarHBondContact O-N 3.34Å; S90-Q94 WeakPolarHBondContact O-CG 3.44Å; S90-Q94 PolarHBondContact O-N 2.94Å
91S34.1Very low38.7Very low57 Ų5792 Ų9240%0.39951%0.509SS..Hα-helixtrans-62-27.5172.759.20000114.9P88 R89 H95P88-S91 PolarHBondContact O-OG 3.27Å; R89-S91 PolarHBondContact O-N 2.72Å; S91-H95 PolarHBondContact O-N 3.07Å; S91-H95 PolarHBondContact O-ND1 2.97Å
92M30.6Very low38.1Very low96 Ų9685.8 Ų85.847%0.47349%0.485SS..Hα-helixtrans-81.3-33.9175.3-169.7174.6-5900111.5R89 S90 Q94 H95 A96R89-M92 HydrophobicContact CG-CB 4.01Å; R89-M92 HydrophobicContact CG-CE 4.2Å; R89-M92 VanDerWaalsContact CZ-SD 3.5Å; R89-M92 PolarHBondContact NH1-SD 3.09Å; R89-M92 PolarHBondContact O-N 3.34Å; R89-M92 VanDerWaalsContact O-N 3.11Å; S90-M92 VanDerWaalsContact C-N 3.3Å; S90-M92 PolarHBondContact O-N 3.07Å; M92-Q94 VanDerWaalsContact C-N 3.27Å; M92-H95 PolarHBondContact O-N 3.11Å; M92-A96 PolarHBondContact O-N 3.37Å
93M31.5Very low37.8Very low144 Ų14481.8 Ų81.871%0.70946%0.461SS*.Hα-helixtrans-67.8-33.3170-158.2169.8-87.200110.1S90 A96 F97S90-M93 PolarHBondContact O-N 3.34Å; M93-A96 PolarHBondContact O-N 3.18Å; M93-F97 VanDerWaalsContact O-CB 3.3Å; M93-F97 WeakPolarHBondContact O-CB 3.25Å; M93-F97 PolarHBondContact O-N 3.01Å
94Q38.9Very low37.7Very low127 Ų12783.7 Ų83.759%0.59346%0.461SS*.Hα-helixtrans-68-31.1168.3-74171.3-14.600113.8S90 M92 F97 G98S90-Q94 WeakPolarHBondContact O-CG 3.44Å; S90-Q94 PolarHBondContact O-N 2.94Å; M92-Q94 VanDerWaalsContact C-N 3.27Å; Q94-F97 PolarHBondContact O-N 3.2Å; Q94-G98 PolarHBondContact O-N 2.95Å
95H34.2Very low37.8Very low150 Ų15081.1 Ų81.169%0.69445%0.449SS*.Hα-helixtrans-70.8-42.2169.2-97.185.4000112.2S91 M92 F97 G98 C99S91-H95 PolarHBondContact O-N 3.07Å; S91-H95 PolarHBondContact O-ND1 2.97Å; M92-H95 PolarHBondContact O-N 3.11Å; H95-F97 PolarHBondContact O-N 2.99Å; H95-G98 PolarHBondContact O-N 3.4Å; H95-C99 PolarHBondContact O-N 2.99Å
96A39Very low38.2Very low63 Ų6382.2 Ų82.252%0.52145%0.446SS..Hα-helixtrans-62.5-32.417200000111.4M92 M93 C100M92-A96 PolarHBondContact O-N 3.37Å; M93-A96 PolarHBondContact O-N 3.18Å; A96-C100 PolarHBondContact O-N 2.88Å; A96-C100 PolarHBondContact O-SG 2.8Å
97F38.6Very low38.4Very low52 Ų5278.9 Ų78.923%0.22843%0.429CS..Hα-helixtrans-75.4-33.9173.2-131.4-81.4000113.9M93 Q94 H95 C99 C100 Y101 F145 I149M93-F97 VanDerWaalsContact O-CB 3.3Å; M93-F97 WeakPolarHBondContact O-CB 3.25Å; M93-F97 PolarHBondContact O-N 3.01Å; Q94-F97 PolarHBondContact O-N 3.2Å; H95-F97 PolarHBondContact O-N 2.99Å; F97-C99 VanDerWaalsContact C-N 3.25Å; F97-C99 PolarHBondContact O-N 3.13Å; F97-C100 CarbonylContact O-C 3.1Å; F97-C100 WeakPolarHBondContact O-CA 3.34Å; F97-C100 PolarHBondContact O-N 3.25Å; F97-Y101 HydrophobicContact CE1-CD2 4.04Å; F97-Y101 HydrophobicContact CE1-CG 4.34Å; F97-Y101 PolarHBondContact O-N 2.81Å; F97-F145 AromaticContact CD1-CE2 3.62Å; F97-F145 HydrophobicContact CD1-CE2 3.62Å; F97-F145 AromaticContact CD1-CZ 3.78Å; F97-F145 HydrophobicContact CD1-CZ 3.78Å; F97-F145 HydrophobicContact CD2-CZ 4.12Å; F97-F145 AromaticContact CE1-CD2 3.79Å; F97-F145 HydrophobicContact CE1-CD2 3.79Å; F97-F145 AromaticContact CE1-CE1 3.99Å; F97-F145 HydrophobicContact CE1-CE1 3.99Å; F97-F145 AromaticContact CE1-CE2 2.9Å; F97-F145 HydrophobicContact CE1-CE2 2.9Å; F97-F145 AromaticContact CE1-CZ 3.06Å; F97-F145 HydrophobicContact CE1-CZ 3.06Å; F97-F145 AromaticContact CE2-CE1 3.88Å; F97-F145 HydrophobicContact CE2-CE1 3.88Å; F97-F145 HydrophobicContact CE2-CE2 4.19Å; F97-F145 AromaticContact CE2-CZ 3.42Å; F97-F145 HydrophobicContact CE2-CZ 3.42Å; F97-F145 VanDerWaalsContact CE2-CZ 3.42Å; F97-F145 HydrophobicContact CG-CZ 4.26Å; F97-F145 HydrophobicContact CZ-CD1 4.2Å; F97-F145 HydrophobicContact CZ-CD2 4.08Å; F97-F145 AromaticContact CZ-CE1 3.34Å; F97-F145 HydrophobicContact CZ-CE1 3.34Å; F97-F145 AromaticContact CZ-CE2 3.23Å; F97-F145 HydrophobicContact CZ-CE2 3.23Å; F97-F145 AromaticContact CZ-CZ 2.81Å; F97-F145 HydrophobicContact CZ-CZ 2.81Å; F97-I149 HydrophobicContact CE1-CD1 3.94Å; F97-I149 HydrophobicContact CE2-CD1 3.59Å; F97-I149 HydrophobicContact CE2-CG1 4.26Å; F97-I149 HydrophobicContact CZ-CD1 3.09Å; F97-I149 HydrophobicContact CZ-CG1 3.59Å
98G35.6Very low38.3Very low20 Ų2073.2 Ų73.221%0.20640%0.403CS..Hα-helixtrans-63-30.5173.600000112.8Q94 H95 V128Q94-G98 PolarHBondContact O-N 2.95Å; H95-G98 PolarHBondContact O-N 3.4Å; G98-V128 WeakPolarHBondContact O-CG1 3.31Å
99C33.4Very low38.7Very low85 Ų8572.4 Ų72.457%0.57440%0.396SS*.THydrogen-bonded Turntrans-76.4-19.9166.5-72.60000113.9H95 F97H95-C99 PolarHBondContact O-N 2.99Å; F97-C99 VanDerWaalsContact C-N 3.25Å; F97-C99 PolarHBondContact O-N 3.13Å
100C38.7Very low39.1Very low62 Ų6276.7 Ų76.742%0.41941%0.412SS..THydrogen-bonded Turntrans-106.9-2.1-172.1-78.10000115.9A96 F97 C152A96-C100 PolarHBondContact O-N 2.88Å; A96-C100 PolarHBondContact O-SG 2.8Å; F97-C100 CarbonylContact O-C 3.1Å; F97-C100 WeakPolarHBondContact O-CA 3.34Å; F97-C100 PolarHBondContact O-N 3.25Å; C100-C152 PolarHBondContact O-SG 3.4Å
101Y37.3Very low39.3Very low26 Ų2675.2 Ų75.210%0.10240%0.401CS..SBendtrans-122-61.2-175.4-165-94.6000117F97 S103 F135 L137 L140 F145 L148F97-Y101 HydrophobicContact CE1-CD2 4.04Å; F97-Y101 HydrophobicContact CE1-CG 4.34Å; F97-Y101 PolarHBondContact O-N 2.81Å; Y101-S103 PolarHBondContact O-N 3.21Å; Y101-S103 VanDerWaalsContact O-N 3.1Å; Y101-F135 HydrophobicContact CE1-CD1 4.12Å; Y101-F135 AromaticContact CE1-CE1 3.54Å; Y101-F135 HydrophobicContact CE1-CE1 3.54Å; Y101-F135 AromaticContact CE1-CZ 3.77Å; Y101-F135 HydrophobicContact CE1-CZ 3.77Å; Y101-L137 HydrophobicContact CD1-CD2 4.29Å; Y101-L137 HydrophobicContact CE1-CD2 4.12Å; Y101-L140 HydrophobicContact CE1-CD2 3.9Å; Y101-L140 HydrophobicContact CE2-CD2 3.75Å; Y101-L140 WeakPolarHBondContact OH-CD1 3.27Å; Y101-L140 WeakPolarHBondContact OH-CD2 3.32Å; Y101-L140 WeakPolarHBondContact OH-CG 3.49Å; Y101-F145 HydrophobicContact CD2-CD2 4.17Å; Y101-F145 HydrophobicContact CE2-CD2 4.01Å; Y101-L148 HydrophobicContact CD2-CB 4.1Å; Y101-L148 HydrophobicContact CD2-CD1 4.23Å; Y101-L148 HydrophobicContact CE1-CD1 4.47Å; Y101-L148 HydrophobicContact CE2-CB 3.6Å; Y101-L148 HydrophobicContact CE2-CD1 3.12Å; Y101-L148 HydrophobicContact CE2-CG 3.91Å; Y101-L148 WeakPolarHBondContact OH-CD1 3.27Å
102A45.4Very low39.5Very low15 Ų1577.2 Ų77.212%0.12441%0.406CS..THydrogen-bonded Turntrans-94.218.1-137.800000118.8F132A102-F132 HydrophobicContact CB-CD2 4.31Å
103S48.3Very low39.9Very low27 Ų2781.6 Ų81.619%0.18942%0.423CS..THydrogen-bonded Turntrans-142.7-5.617872.90000113.9Y101 G105 Q106 M107Y101-S103 PolarHBondContact O-N 3.21Å; Y101-S103 VanDerWaalsContact O-N 3.1Å; S103-G105 VanDerWaalsContact C-N 3.26Å; S103-G105 PolarHBondContact O-N 3.21Å; S103-Q106 PolarHBondContact O-N 3.34Å; S103-M107 VanDerWaalsContact C-CB 3.44Å; S103-M107 WeakPolarHBondContact CB-SD 3.22Å; S103-M107 WeakPolarHBondContact O-CA 3.07Å; S103-M107 WeakPolarHBondContact O-CB 3.41Å; S103-M107 PolarHBondContact O-N 3.15Å; S103-M107 WeakPolarHBondContact OG-CB 3.39Å; S103-M107 WeakPolarHBondContact OG-CE 2.92Å; S103-M107 VanDerWaalsContact OG-CG 3.26Å; S103-M107 WeakPolarHBondContact OG-CG 3.46Å; S103-M107 PolarHBondContact OG-SD 2.92Å
104Y45.1Very low40.2Very low95 Ų9576.7 Ų76.737%0.37341%0.406SS..THydrogen-bonded Turntrans-65.1-5.3-160.8-143.6-95.7000117.8Y108 L167Y104-Y108 AromaticContact CD1-CD2 3.82Å; Y104-Y108 HydrophobicContact CD1-CD2 3.82Å; Y104-Y108 HydrophobicContact CD1-CE2 4.49Å; Y104-Y108 HydrophobicContact CD1-CG 4.12Å; Y104-Y108 HydrophobicContact CD2-CD2 4.25Å; Y104-Y108 AromaticContact CE1-CD2 3.28Å; Y104-Y108 HydrophobicContact CE1-CD2 3.28Å; Y104-Y108 AromaticContact CE1-CE2 3.55Å; Y104-Y108 HydrophobicContact CE1-CE2 3.55Å; Y104-Y108 AromaticContact CE1-CG 3.95Å; Y104-Y108 HydrophobicContact CE1-CG 3.95Å; Y104-Y108 AromaticContact CE2-CD2 3.78Å; Y104-Y108 HydrophobicContact CE2-CD2 3.78Å; Y104-Y108 HydrophobicContact CE2-CE2 4.24Å; Y104-Y108 HydrophobicContact CG-CD2 4.28Å; Y104-Y108 AromaticContact CZ-CD2 3.28Å; Y104-Y108 AromaticContact CZ-CE2 3.42Å; Y104-Y108 VanDerWaalsContact CZ-CE2 3.42Å; Y104-Y108 WeakPolarHBondContact O-CB 3.37Å; Y104-Y108 WeakPolarHBondContact OH-CE2 3.35Å; Y104-L167 HydrophobicContact CD1-CD1 4.37Å
105G45.6Very low40.5Very low37 Ų3773.6 Ų73.638%0.38140%0.398SS..THydrogen-bonded Turntrans-86-70.816800000111.4S103 T109S103-G105 VanDerWaalsContact C-N 3.26Å; S103-G105 PolarHBondContact O-N 3.21Å; G105-T109 PolarHBondContact O-N 2.96Å; G105-T109 PolarHBondContact O-OG1 3.45Å; G105-T109 VanDerWaalsContact O-OG1 3.13Å
106Q44.9Very low41.1Very low133 Ų13373.5 Ų73.562%0.62140%0.402SS*.Hα-helixtrans-76.2-25.3-178.8-66.2-164.313.700113.5S103 T109 R110S103-Q106 PolarHBondContact O-N 3.34Å; Q106-T109 PolarHBondContact O-OG1 2.99Å; Q106-T109 VanDerWaalsContact O-OG1 3.08Å; Q106-R110 VanDerWaalsContact O-CB 3.26Å; Q106-R110 WeakPolarHBondContact O-CB 2.79Å; Q106-R110 WeakPolarHBondContact O-CG 3.07Å; Q106-R110 PolarHBondContact O-N 3.36Å
107M39.3Very low41.6Very low13 Ų1377.1 Ų77.16%0.06441%0.412CS..Hα-helixtrans-88.8-31.1172-159.7148.5125.900111.5S103 T109 R110 T111 Y124 I127 V128 E131S103-M107 VanDerWaalsContact C-CB 3.44Å; S103-M107 WeakPolarHBondContact CB-SD 3.22Å; S103-M107 WeakPolarHBondContact O-CA 3.07Å; S103-M107 WeakPolarHBondContact O-CB 3.41Å; S103-M107 PolarHBondContact O-N 3.15Å; S103-M107 WeakPolarHBondContact OG-CB 3.39Å; S103-M107 WeakPolarHBondContact OG-CE 2.92Å; S103-M107 VanDerWaalsContact OG-CG 3.26Å; S103-M107 WeakPolarHBondContact OG-CG 3.46Å; S103-M107 PolarHBondContact OG-SD 2.92Å; M107-T109 PolarHBondContact O-N 3.37Å; M107-R110 CarbonylContact O-C 3.45Å; M107-R110 PolarHBondContact O-N 2.93Å; M107-R110 VanDerWaalsContact O-N 3.15Å; M107-T111 HydrophobicContact CE-CG2 4.09Å; M107-T111 HydrophobicContact CG-CG2 3.24Å; M107-T111 VanDerWaalsContact CG-OG1 3.28Å; M107-T111 WeakPolarHBondContact CG-OG1 3.34Å; M107-T111 WeakPolarHBondContact O-CA 2.97Å; M107-T111 WeakPolarHBondContact O-CB 3.4Å; M107-T111 PolarHBondContact O-N 3.42Å; M107-T111 PolarHBondContact O-OG1 3.21Å; M107-T111 HydrophobicContact SD-CG2 4.01Å; M107-Y124 HydrophobicContact CE-CE2 4.18Å; M107-I127 HydrophobicContact CE-CB 4.36Å; M107-I127 HydrophobicContact CE-CG2 3.5Å; M107-I127 HydrophobicContact SD-CG2 3.41Å; M107-I127 WeakPolarHBondContact SD-CG2 2.8Å; M107-V128 HydrophobicContact CE-CG2 4.12Å; M107-E131 HydrophobicContact SD-CG 4.18Å
108Y40.8Very low42.4Very low59 Ų5982 Ų8223%0.23144%0.441CS..Hα-helixtrans-59.6-37.4169.1-170.9-100.6000111.2Y104 N112 R163Y104-Y108 AromaticContact CD1-CD2 3.82Å; Y104-Y108 HydrophobicContact CD1-CD2 3.82Å; Y104-Y108 HydrophobicContact CD1-CE2 4.49Å; Y104-Y108 HydrophobicContact CD1-CG 4.12Å; Y104-Y108 HydrophobicContact CD2-CD2 4.25Å; Y104-Y108 AromaticContact CE1-CD2 3.28Å; Y104-Y108 HydrophobicContact CE1-CD2 3.28Å; Y104-Y108 AromaticContact CE1-CE2 3.55Å; Y104-Y108 HydrophobicContact CE1-CE2 3.55Å; Y104-Y108 AromaticContact CE1-CG 3.95Å; Y104-Y108 HydrophobicContact CE1-CG 3.95Å; Y104-Y108 AromaticContact CE2-CD2 3.78Å; Y104-Y108 HydrophobicContact CE2-CD2 3.78Å; Y104-Y108 HydrophobicContact CE2-CE2 4.24Å; Y104-Y108 HydrophobicContact CG-CD2 4.28Å; Y104-Y108 AromaticContact CZ-CD2 3.28Å; Y104-Y108 AromaticContact CZ-CE2 3.42Å; Y104-Y108 VanDerWaalsContact CZ-CE2 3.42Å; Y104-Y108 WeakPolarHBondContact O-CB 3.37Å; Y104-Y108 WeakPolarHBondContact OH-CE2 3.35Å; Y108-N112 WeakPolarHBondContact CE1-ND2 3.49Å; Y108-N112 WeakPolarHBondContact CE2-ND2 3.39Å; Y108-N112 WeakPolarHBondContact O-CB 3.25Å; Y108-N112 PolarHBondContact O-N 2.92Å; Y108-N112 PolarHBondContact OH-ND2 3.45Å; Y108-R163 PolarHBondContact OH-NH2 3.14Å
109T45.7Very low43.5Very low86 Ų8685.3 Ų85.353%0.52845%0.454SS..Hα-helixtrans-72.7-39.2172.250.50000113.6G105 Q106 M107G105-T109 PolarHBondContact O-N 2.96Å; G105-T109 PolarHBondContact O-OG1 3.45Å; G105-T109 VanDerWaalsContact O-OG1 3.13Å; Q106-T109 PolarHBondContact O-OG1 2.99Å; Q106-T109 VanDerWaalsContact O-OG1 3.08Å; M107-T109 PolarHBondContact O-N 3.37Å
110R39.1Very low45.4Very low190 Ų19085.9 Ų85.972%0.71745%0.451SS*.Hα-helixtrans-78.6-41.1177.8-84178.2163.5154.9-1.4115Q106 M107 A114Q106-R110 VanDerWaalsContact O-CB 3.26Å; Q106-R110 WeakPolarHBondContact O-CB 2.79Å; Q106-R110 WeakPolarHBondContact O-CG 3.07Å; Q106-R110 PolarHBondContact O-N 3.36Å; M107-R110 CarbonylContact O-C 3.45Å; M107-R110 PolarHBondContact O-N 2.93Å; M107-R110 VanDerWaalsContact O-N 3.15Å; R110-A114 PolarHBondContact O-N 3.47Å
111T38.5Very low47Very low43 Ų4392.5 Ų92.526%0.26447%0.469SS..Hα-helixtrans-90.6-20.1178.460.70000115.4M107 K113 A114M107-T111 HydrophobicContact CE-CG2 4.09Å; M107-T111 HydrophobicContact CG-CG2 3.24Å; M107-T111 VanDerWaalsContact CG-OG1 3.28Å; M107-T111 WeakPolarHBondContact CG-OG1 3.34Å; M107-T111 WeakPolarHBondContact O-CA 2.97Å; M107-T111 WeakPolarHBondContact O-CB 3.4Å; M107-T111 PolarHBondContact O-N 3.42Å; M107-T111 PolarHBondContact O-OG1 3.21Å; M107-T111 HydrophobicContact SD-CG2 4.01Å; T111-K113 PolarHBondContact O-N 3.2Å; T111-A114 CarbonylContact O-C 3.56Å; T111-A114 WeakPolarHBondContact O-CA 3.44Å; T111-A114 PolarHBondContact O-N 3.32Å; T111-A114 VanDerWaalsContact O-N 3.1Å
112N39.3Very low48.8Very low98 Ų9897.5 Ų97.552%0.52450%0.496SS..THydrogen-bonded Turntrans-67.8-22.6162.8-86-11.7000111.7Y108Y108-N112 WeakPolarHBondContact CE1-ND2 3.49Å; Y108-N112 WeakPolarHBondContact CE2-ND2 3.39Å; Y108-N112 WeakPolarHBondContact O-CB 3.25Å; Y108-N112 PolarHBondContact O-N 2.92Å; Y108-N112 PolarHBondContact OH-ND2 3.45Å
113K39.3Very low50.3Low188 Ų18899.9 Ų99.982%0.81751%0.509SS*.THydrogen-bonded Turntrans-78.4-28.6169.4-130.3179-174.8-179.50112.2T111 S115T111-K113 PolarHBondContact O-N 3.2Å; K113-S115 PolarHBondContact O-N 3.05Å
114A38Very low51.1Low42 Ų42103 Ų10335%0.34752%0.517SS..SBendtrans-77.872.8162.300000108.5R110 T111 L116R110-A114 PolarHBondContact O-N 3.47Å; T111-A114 CarbonylContact O-C 3.56Å; T111-A114 WeakPolarHBondContact O-CA 3.44Å; T111-A114 PolarHBondContact O-N 3.32Å; T111-A114 VanDerWaalsContact O-N 3.1Å; A114-L116 PolarHBondContact O-N 3.2Å; A114-L116 VanDerWaalsContact O-N 3.07Å
115S43.6Very low52.5Low61 Ų61100.1 Ų100.143%0.42752%0.517SS..  trans-33.3123.7155.2-1760000108.4K113 N117K113-S115 PolarHBondContact O-N 3.05Å; S115-N117 PolarHBondContact O-N 3.24Å; S115-N117 WeakPolarHBondContact OG-CB 3.35Å; S115-N117 PolarHBondContact OG-ND2 3.25Å; S115-N117 PolarHBondContact OG-OD1 3.45Å
116L47Very low53.7Low148 Ų148100.4 Ų100.478%0.77552%0.52SS*.SBendtrans-57.418.7169.4-101.4148.7000112.9A114 N118A114-L116 PolarHBondContact O-N 3.2Å; A114-L116 VanDerWaalsContact O-N 3.07Å; L116-N118 PolarHBondContact O-N 2.89Å
117N49.4Very low54.9Low139 Ų13996.9 Ų96.974%0.74351%0.505SS*.SBendtrans-76.577.8164.1-65.2-5.6000108.2S115S115-N117 PolarHBondContact O-N 3.24Å; S115-N117 WeakPolarHBondContact OG-CB 3.35Å; S115-N117 PolarHBondContact OG-ND2 3.25Å; S115-N117 PolarHBondContact OG-OD1 3.45Å
118N56.8Low56.1Low156 Ų15697.3 Ų97.383%0.83451%0.508SS*.SBendtrans114.46.3153.5-147.230.7000119.2L116L116-N118 PolarHBondContact O-N 2.89Å
119D57.6Low57.6Low89 Ų8998.8 Ų98.848%0.47652%0.52SS..  trans-91.4121.9170.3-72.3-32.4000111.1T123D119-T123 HydrophobicContact CB-CG2 4.45Å
120D73.8Confident58.7Low97 Ų97101.5 Ų101.552%0.51952%0.52SS..  trans-67.1154.3177-176.722.1000111.8I122 T123 Y124D120-I122 PolarHBondContact O-N 3.47Å; D120-I122 WeakPolarHBondContact OD2-CG1 3.5Å; D120-T123 WeakPolarHBondContact O-CB 3.31Å; D120-T123 PolarHBondContact O-N 3.08Å; D120-Y124 PolarHBondContact O-N 3.43Å; D120-Y124 VanDerWaalsContact O-N 3.16Å
121Y73.1Confident59.7Low200 Ų20095.1 Ų95.178%0.78450%0.499SS*.Hα-helixtrans-51.7-28.9176.6-70.3-73.2000112.8G125Y121-G125 PolarHBondContact O-N 3.38Å
122I75.3Confident60.8Low132 Ų13297.3 Ų97.368%0.67751%0.505SS*.Hα-helixtrans-61.7-48.5173.1-59.1-61.4000111.6D120 G125 G126D120-I122 PolarHBondContact O-N 3.47Å; D120-I122 WeakPolarHBondContact OD2-CG1 3.5Å; I122-G125 PolarHBondContact O-N 2.88Å; I122-G126 PolarHBondContact O-N 2.82Å
123T75.4Confident62Low65 Ų6599.5 Ų99.540%0.39951%0.512SS..Hα-helixtrans-64-46.5178.5-58.70000110.4D119 D120 G125 G126 I127D119-T123 HydrophobicContact CB-CG2 4.45Å; D120-T123 WeakPolarHBondContact O-CB 3.31Å; D120-T123 PolarHBondContact O-N 3.08Å; T123-G125 PolarHBondContact O-N 3.37Å; T123-G126 PolarHBondContact O-N 3.33Å; T123-I127 HydrophobicContact CG2-CD1 4.04Å; T123-I127 WeakPolarHBondContact O-CG1 3.37Å; T123-I127 PolarHBondContact O-N 2.92Å
124Y65.9Low63Low91 Ų9197.8 Ų97.836%0.35750%0.5SS..Hα-helixtrans-59.2-48.8177.7-178.9-105.3000111.7M107 D120 G126 I127 V128M107-Y124 HydrophobicContact CE-CE2 4.18Å; D120-Y124 PolarHBondContact O-N 3.43Å; D120-Y124 VanDerWaalsContact O-N 3.16Å; Y124-G126 VanDerWaalsContact C-N 3.3Å; Y124-G126 PolarHBondContact O-N 3.1Å; Y124-I127 PolarHBondContact O-N 2.88Å; Y124-V128 HydrophobicContact CD1-CG2 4.22Å; Y124-V128 HydrophobicContact CE1-CG2 3.81Å; Y124-V128 HydrophobicContact CE2-CG2 4.12Å; Y124-V128 WeakPolarHBondContact O-CG2 3.49Å; Y124-V128 PolarHBondContact O-N 2.86Å
125G73.5Confident64Low36 Ų3699.5 Ų99.537%0.37150%0.5SS..Hα-helixtrans-59.2-39.5176.300000112.8Y121 I122 T123 V128 N129Y121-G125 PolarHBondContact O-N 3.38Å; I122-G125 PolarHBondContact O-N 2.88Å; T123-G125 PolarHBondContact O-N 3.37Å; G125-V128 PolarHBondContact O-N 3.27Å; G125-N129 WeakPolarHBondContact O-CB 3.43Å; G125-N129 PolarHBondContact O-N 3.21Å
126G72.4Confident64.8Low43 Ų43103.2 Ų103.244%0.44351%0.51SS..Hα-helixtrans-62.4-42.8174.500000113.4I122 T123 Y124 R130I122-G126 PolarHBondContact O-N 2.82Å; T123-G126 PolarHBondContact O-N 3.33Å; Y124-G126 VanDerWaalsContact C-N 3.3Å; Y124-G126 PolarHBondContact O-N 3.1Å; G126-R130 WeakPolarHBondContact O-CB 3.43Å; G126-R130 PolarHBondContact O-N 3.1Å
127I69.9Low65.6Low59 Ų5999 Ų9930%0.30349%0.488SS..Hα-helixtrans-65.6-46.7176.7-64.7166.8000110.4M107 T123 Y124 N129 R130 E131M107-I127 HydrophobicContact CE-CB 4.36Å; M107-I127 HydrophobicContact CE-CG2 3.5Å; M107-I127 HydrophobicContact SD-CG2 3.41Å; M107-I127 WeakPolarHBondContact SD-CG2 2.8Å; T123-I127 HydrophobicContact CG2-CD1 4.04Å; T123-I127 WeakPolarHBondContact O-CG1 3.37Å; T123-I127 PolarHBondContact O-N 2.92Å; Y124-I127 PolarHBondContact O-N 2.88Å; I127-N129 VanDerWaalsContact C-N 3.35Å; I127-N129 PolarHBondContact O-N 3.2Å; I127-R130 PolarHBondContact O-N 3.34Å; I127-E131 HydrophobicContact CG2-CG 4.42Å; I127-E131 PolarHBondContact O-N 3.05Å
128V63.6Low66.3Low21 Ų21100.4 Ų100.413%0.12750%0.496CS..Hα-helixtrans-58.5-47.5178.6171.20000110.8G98 M107 Y124 G125 R130 E131 F132G98-V128 WeakPolarHBondContact O-CG1 3.31Å; M107-V128 HydrophobicContact CE-CG2 4.12Å; Y124-V128 HydrophobicContact CD1-CG2 4.22Å; Y124-V128 HydrophobicContact CE1-CG2 3.81Å; Y124-V128 HydrophobicContact CE2-CG2 4.12Å; Y124-V128 WeakPolarHBondContact O-CG2 3.49Å; Y124-V128 PolarHBondContact O-N 2.86Å; G125-V128 PolarHBondContact O-N 3.27Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 3.11Å; V128-E131 PolarHBondContact O-N 3.42Å; V128-F132 VanDerWaalsContact O-CB 3.25Å; V128-F132 WeakPolarHBondContact O-CB 3.4Å; V128-F132 PolarHBondContact O-N 3.45Å
129N72.4Confident67Low90 Ų9097.6 Ų97.648%0.48149%0.485SS..Hα-helixtrans-64.3-37.4179.4-171.641.2000112.3G125 I127 F132 Q133G125-N129 WeakPolarHBondContact O-CB 3.43Å; G125-N129 PolarHBondContact O-N 3.21Å; I127-N129 VanDerWaalsContact C-N 3.35Å; I127-N129 PolarHBondContact O-N 3.2Å; N129-F132 PolarHBondContact O-N 3.2Å; N129-Q133 PolarHBondContact ND2-NE2 2.98Å; N129-Q133 WeakPolarHBondContact O-CG 3.48Å; N129-Q133 PolarHBondContact O-N 3.44Å
130R68.8Low67.8Low143 Ų14395.1 Ų95.154%0.5447%0.471SS..Hα-helixtrans-64.8-46.3175.7179.7-175.8175.2-175.4-0.3112G126 I127 V128 F132 Q133 R134G126-R130 WeakPolarHBondContact O-CB 3.43Å; G126-R130 PolarHBondContact O-N 3.1Å; I127-R130 PolarHBondContact O-N 3.34Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 3.11Å; R130-F132 VanDerWaalsContact C-N 3.33Å; R130-Q133 PolarHBondContact O-N 2.91Å; R130-R134 VanDerWaalsContact NH2-NH2 3.14Å; R130-R134 WeakPolarHBondContact O-CG 3.26Å; R130-R134 PolarHBondContact O-N 2.83Å
131E59.9Low68.1Low56 Ų5692.4 Ų92.426%0.26246%0.46SS..Hα-helixtrans-69.6-34.3179-66.5-53.8130.500111.2M107 I127 V128 Q133 R134 F135M107-E131 HydrophobicContact SD-CG 4.18Å; I127-E131 HydrophobicContact CG2-CG 4.42Å; I127-E131 PolarHBondContact O-N 3.05Å; V128-E131 PolarHBondContact O-N 3.42Å; E131-Q133 PolarHBondContact O-N 3.28Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.38Å; E131-R134 IonicContact OE1-NH1 3.6Å; E131-F135 WeakPolarHBondContact O-CB 3.21Å; E131-F135 PolarHBondContact O-N 2.89Å
132F62Low68.7Low90 Ų9089.2 Ų89.240%0.39545%0.452SS..Hα-helixtrans-61-44172.4-173.3-88.3000112.9A102 V128 N129 R130 R134 F135 L137A102-F132 HydrophobicContact CB-CD2 4.31Å; V128-F132 VanDerWaalsContact O-CB 3.25Å; V128-F132 WeakPolarHBondContact O-CB 3.4Å; V128-F132 PolarHBondContact O-N 3.45Å; N129-F132 PolarHBondContact O-N 3.2Å; R130-F132 VanDerWaalsContact C-N 3.33Å; F132-R134 VanDerWaalsContact C-N 3.27Å; F132-R134 PolarHBondContact O-N 3.42Å; F132-F135 PolarHBondContact O-N 3.02Å; F132-L137 HydrophobicContact CD2-CD1 4.11Å; F132-L137 HydrophobicContact CE1-CD1 3.92Å; F132-L137 HydrophobicContact CE2-CD1 3.25Å; F132-L137 HydrophobicContact CE2-CG 4.25Å; F132-L137 HydrophobicContact CZ-CD1 3.12Å; F132-L137 HydrophobicContact CZ-CG 4.34Å
133Q63.8Low69.3Low143 Ų14386.3 Ų86.367%0.66844%0.438SS*.Hα-helixtrans-67.5-28.1176-71.9172.225.300113.1N129 R130 E131N129-Q133 PolarHBondContact ND2-NE2 2.98Å; N129-Q133 WeakPolarHBondContact O-CG 3.48Å; N129-Q133 PolarHBondContact O-N 3.44Å; R130-Q133 PolarHBondContact O-N 2.91Å; E131-Q133 PolarHBondContact O-N 3.28Å
134R60.3Low69.6Low152 Ų15283.9 Ų83.957%0.57442%0.423SS*.Hα-helixtrans-76.5-32.4174.9-73.3171.7162.3-147.9-13.8111.9R130 E131 F132 Q136R130-R134 VanDerWaalsContact NH2-NH2 3.14Å; R130-R134 WeakPolarHBondContact O-CG 3.26Å; R130-R134 PolarHBondContact O-N 2.83Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.38Å; E131-R134 IonicContact OE1-NH1 3.6Å; F132-R134 VanDerWaalsContact C-N 3.27Å; F132-R134 PolarHBondContact O-N 3.42Å; R134-Q136 PolarHBondContact O-N 3.03Å
135F60.2Low70.3Confident79 Ų7983.1 Ų83.135%0.34642%0.421SS..SBendtrans-77.7117.6179.7-162.9-90.9000109.8Y101 E131 F132 L137 L140Y101-F135 HydrophobicContact CE1-CD1 4.12Å; Y101-F135 AromaticContact CE1-CE1 3.54Å; Y101-F135 HydrophobicContact CE1-CE1 3.54Å; Y101-F135 AromaticContact CE1-CZ 3.77Å; Y101-F135 HydrophobicContact CE1-CZ 3.77Å; E131-F135 WeakPolarHBondContact O-CB 3.21Å; E131-F135 PolarHBondContact O-N 2.89Å; F132-F135 PolarHBondContact O-N 3.02Å; F135-L137 VanDerWaalsContact C-N 3.25Å; F135-L137 HydrophobicContact CD1-CD2 3.73Å; F135-L137 HydrophobicContact CD1-CG 4.04Å; F135-L137 HydrophobicContact CE1-CD2 3.94Å; F135-L137 PolarHBondContact O-N 3.04Å; F135-L140 HydrophobicContact CE1-CB 4.45Å; F135-L140 HydrophobicContact CZ-CD1 4.41Å
136Q60.9Low70.9Confident138 Ų13885.2 Ų85.265%0.64542%0.42SS*.  trans-76.877.9177.8-62.9-179.815.800109.7R134 D138 T139R134-Q136 PolarHBondContact O-N 3.03Å; Q136-D138 PolarHBondContact O-N 3Å; Q136-T139 HydrophobicContact CB-CG2 3.89Å; Q136-T139 WeakPolarHBondContact O-CB 3.14Å; Q136-T139 PolarHBondContact O-N 3.23Å; Q136-T139 PolarHBondContact O-OG1 2.93Å
137L62Low71.6Confident59 Ų5983.2 Ų83.231%0.30940%0.399SS..G310 helixtrans-52-31.9179.7-82.4-179.1000113.5Y101 F132 F135 T139 L140Y101-L137 HydrophobicContact CD1-CD2 4.29Å; Y101-L137 HydrophobicContact CE1-CD2 4.12Å; F132-L137 HydrophobicContact CD2-CD1 4.11Å; F132-L137 HydrophobicContact CE1-CD1 3.92Å; F132-L137 HydrophobicContact CE2-CD1 3.25Å; F132-L137 HydrophobicContact CE2-CG 4.25Å; F132-L137 HydrophobicContact CZ-CD1 3.12Å; F132-L137 HydrophobicContact CZ-CG 4.34Å; F135-L137 VanDerWaalsContact C-N 3.25Å; F135-L137 HydrophobicContact CD1-CD2 3.73Å; F135-L137 HydrophobicContact CD1-CG 4.04Å; F135-L137 HydrophobicContact CE1-CD2 3.94Å; F135-L137 PolarHBondContact O-N 3.04Å; L137-T139 PolarHBondContact O-N 3.28Å; L137-T139 VanDerWaalsContact O-N 3.11Å; L137-L140 HydrophobicContact CD2-CD2 4.44Å; L137-L140 VanDerWaalsContact O-CB 3.28Å; L137-L140 WeakPolarHBondContact O-CB 3.15Å; L137-L140 PolarHBondContact O-N 3.33Å
138D65.9Low72.2Confident169 Ų16981.5 Ų81.590%0.90439%0.391SS*.G310 helixtrans-60.8-20.7178.1-58.8-24.5000113Q136Q136-D138 PolarHBondContact O-N 3Å
139T71.1Confident73Confident98 Ų9884 Ų8460%0.60140%0.402SS*.G310 helixtrans-89.4-7.8177670000113.4Q136 L137 S141Q136-T139 HydrophobicContact CB-CG2 3.89Å; Q136-T139 WeakPolarHBondContact O-CB 3.14Å; Q136-T139 PolarHBondContact O-N 3.23Å; Q136-T139 PolarHBondContact O-OG1 2.93Å; L137-T139 PolarHBondContact O-N 3.28Å; L137-T139 VanDerWaalsContact O-N 3.11Å; T139-S141 PolarHBondContact O-N 3.21Å
140L73.3Confident73.6Confident37 Ų3782.3 Ų82.319%0.19439%0.391CS..  trans-82.2118.4-176.8-172.371.1000111Y101 F135 L137 N144 F145 L148Y101-L140 HydrophobicContact CE1-CD2 3.9Å; Y101-L140 HydrophobicContact CE2-CD2 3.75Å; Y101-L140 WeakPolarHBondContact OH-CD1 3.27Å; Y101-L140 WeakPolarHBondContact OH-CD2 3.32Å; Y101-L140 WeakPolarHBondContact OH-CG 3.49Å; F135-L140 HydrophobicContact CE1-CB 4.45Å; F135-L140 HydrophobicContact CZ-CD1 4.41Å; L137-L140 HydrophobicContact CD2-CD2 4.44Å; L137-L140 VanDerWaalsContact O-CB 3.28Å; L137-L140 WeakPolarHBondContact O-CB 3.15Å; L137-L140 PolarHBondContact O-N 3.33Å; L140-N144 HydrophobicContact CD1-CB 3.48Å; L140-N144 VanDerWaalsContact CD1-CB 3.48Å; L140-N144 HydrophobicContact CG-CB 4.22Å; L140-F145 HydrophobicContact CD2-CB 3.85Å; L140-F145 HydrophobicContact CD2-CD2 3.81Å; L140-F145 HydrophobicContact CD2-CG 4.35Å; L140-F145 HydrophobicContact CG-CB 4.43Å; L140-L148 HydrophobicContact CD1-CD1 4.45Å
141S81.1Confident74.3Confident40 Ų4075.6 Ų75.628%0.2837%0.366SS..  trans-67.9151.5172.975.30000111.7T139 D143 N144 F145T139-S141 PolarHBondContact O-N 3.21Å; S141-D143 PolarHBondContact O-N 3.43Å; S141-N144 PolarHBondContact O-N 3.4Å; S141-N144 VanDerWaalsContact O-N 3.13Å; S141-N144 WeakPolarHBondContact OG-CB 3.47Å; S141-N144 PolarHBondContact OG-N 2.78Å; S141-N144 PolarHBondContact OG-ND2 2.78Å; S141-N144 PolarHBondContact OG-OD1 2.72Å; S141-F145 PolarHBondContact O-N 3.48Å
142E84.8Confident75.2Confident133 Ų13374.7 Ų74.762%0.62137%0.365SS*.Hα-helixtrans-55.6-37173.8-171.5-172.7143.400111.6F145 K146E142-F145 WeakPolarHBondContact O-CB 3.42Å; E142-F145 PolarHBondContact O-N 3.11Å; E142-K146 VanDerWaalsContact O-CG 3.32Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.1Å; E142-K146 WeakPolarHBondContact OE1-CE 3.48Å; E142-K146 IonicContact OE1-NZ 3.05Å; E142-K146 PolarHBondContact OE1-NZ 3.33Å
143D87.8Confident76Confident70 Ų7073 Ų7337%0.37437%0.373SS..Hα-helixtrans-71-38.2177.8-71.6-24.6000112.5S141 F145 K146 C147S141-D143 PolarHBondContact O-N 3.43Å; D143-F145 VanDerWaalsContact C-N 3.28Å; D143-F145 PolarHBondContact O-N 3.48Å; D143-K146 PolarHBondContact O-N 3.47Å; D143-K146 IonicContact OD1-NZ 3.15Å; D143-C147 VanDerWaalsContact O-CB 3.27Å; D143-C147 WeakPolarHBondContact O-CB 3.3Å; D143-C147 PolarHBondContact O-N 3.01Å; D143-C147 PolarHBondContact O-SG 3.26Å
144N81.8Confident76.8Confident15 Ų1567.7 Ų67.78%0.0835%0.349CS..Hα-helixtrans-63.8-38.3173.3-68.9-13.2000110.8L140 S141 C147 L148 P174 V176L140-N144 HydrophobicContact CD1-CB 3.48Å; L140-N144 VanDerWaalsContact CD1-CB 3.48Å; L140-N144 HydrophobicContact CG-CB 4.22Å; S141-N144 PolarHBondContact O-N 3.4Å; S141-N144 VanDerWaalsContact O-N 3.13Å; S141-N144 WeakPolarHBondContact OG-CB 3.47Å; S141-N144 PolarHBondContact OG-N 2.78Å; S141-N144 PolarHBondContact OG-ND2 2.78Å; S141-N144 PolarHBondContact OG-OD1 2.72Å; N144-C147 WeakPolarHBondContact O-CB 3.41Å; N144-C147 PolarHBondContact O-N 3.26Å; N144-L148 WeakPolarHBondContact O-CB 3.47Å; N144-L148 WeakPolarHBondContact O-CD1 3.42Å; N144-L148 VanDerWaalsContact O-CG 3.31Å; N144-L148 WeakPolarHBondContact O-CG 3.35Å; N144-L148 PolarHBondContact O-N 3.12Å; N144-P174 PolarHBondContact ND2-O 3.28Å; N144-P174 PolarHBondContact OD1-O 3.05Å; N144-P174 VanDerWaalsContact OD1-O 3.11Å; N144-V176 WeakPolarHBondContact OD1-CG1 3.39Å
145F80.8Confident77.8Confident75 Ų7568.4 Ų68.433%0.32936%0.359SS..Hα-helixtrans-63.4-48174.2-176.5-100000112.3F97 Y101 L140 S141 E142 D143 C147 L148 I149F97-F145 AromaticContact CD1-CE2 3.62Å; F97-F145 HydrophobicContact CD1-CE2 3.62Å; F97-F145 AromaticContact CD1-CZ 3.78Å; F97-F145 HydrophobicContact CD1-CZ 3.78Å; F97-F145 HydrophobicContact CD2-CZ 4.12Å; F97-F145 AromaticContact CE1-CD2 3.79Å; F97-F145 HydrophobicContact CE1-CD2 3.79Å; F97-F145 AromaticContact CE1-CE1 3.99Å; F97-F145 HydrophobicContact CE1-CE1 3.99Å; F97-F145 AromaticContact CE1-CE2 2.9Å; F97-F145 HydrophobicContact CE1-CE2 2.9Å; F97-F145 AromaticContact CE1-CZ 3.06Å; F97-F145 HydrophobicContact CE1-CZ 3.06Å; F97-F145 AromaticContact CE2-CE1 3.88Å; F97-F145 HydrophobicContact CE2-CE1 3.88Å; F97-F145 HydrophobicContact CE2-CE2 4.19Å; F97-F145 AromaticContact CE2-CZ 3.42Å; F97-F145 HydrophobicContact CE2-CZ 3.42Å; F97-F145 VanDerWaalsContact CE2-CZ 3.42Å; F97-F145 HydrophobicContact CG-CZ 4.26Å; F97-F145 HydrophobicContact CZ-CD1 4.2Å; F97-F145 HydrophobicContact CZ-CD2 4.08Å; F97-F145 AromaticContact CZ-CE1 3.34Å; F97-F145 HydrophobicContact CZ-CE1 3.34Å; F97-F145 AromaticContact CZ-CE2 3.23Å; F97-F145 HydrophobicContact CZ-CE2 3.23Å; F97-F145 AromaticContact CZ-CZ 2.81Å; F97-F145 HydrophobicContact CZ-CZ 2.81Å; Y101-F145 HydrophobicContact CD2-CD2 4.17Å; Y101-F145 HydrophobicContact CE2-CD2 4.01Å; L140-F145 HydrophobicContact CD2-CB 3.85Å; L140-F145 HydrophobicContact CD2-CD2 3.81Å; L140-F145 HydrophobicContact CD2-CG 4.35Å; L140-F145 HydrophobicContact CG-CB 4.43Å; S141-F145 PolarHBondContact O-N 3.48Å; E142-F145 WeakPolarHBondContact O-CB 3.42Å; E142-F145 PolarHBondContact O-N 3.11Å; D143-F145 VanDerWaalsContact C-N 3.28Å; D143-F145 PolarHBondContact O-N 3.48Å; F145-C147 VanDerWaalsContact C-N 3.32Å; F145-C147 PolarHBondContact O-N 3.36Å; F145-L148 PolarHBondContact O-N 3.24Å; F145-I149 WeakPolarHBondContact O-CG1 3.49Å; F145-I149 PolarHBondContact O-N 3.45Å
146K86.1Confident78.8Confident80 Ų8066.8 Ų66.835%0.34836%0.357SS..Hα-helixtrans-58.2-43.1173-75.2171.8-174.1160.30112E142 D143 L148 I149 F150 I178E142-K146 VanDerWaalsContact O-CG 3.32Å; E142-K146 WeakPolarHBondContact O-CG 3.48Å; E142-K146 PolarHBondContact O-N 3.1Å; E142-K146 WeakPolarHBondContact OE1-CE 3.48Å; E142-K146 IonicContact OE1-NZ 3.05Å; E142-K146 PolarHBondContact OE1-NZ 3.33Å; D143-K146 PolarHBondContact O-N 3.47Å; D143-K146 IonicContact OD1-NZ 3.15Å; K146-L148 VanDerWaalsContact C-N 3.31Å; K146-L148 PolarHBondContact O-N 2.77Å; K146-I149 PolarHBondContact O-N 3.27Å; K146-F150 PolarHBondContact O-N 2.74Å; K146-I178 HydrophobicContact CB-CD1 3.9Å; K146-I178 HydrophobicContact CB-CG1 4.28Å
147C87.8Confident79.8Confident0 Ų065.2 Ų65.20%036%0.359CS..Hα-helixtrans-60-41.2176-76.40000112D143 N144 F145 F150 V151 I170 V176 T177 I178 L181D143-C147 VanDerWaalsContact O-CB 3.27Å; D143-C147 WeakPolarHBondContact O-CB 3.3Å; D143-C147 PolarHBondContact O-N 3.01Å; D143-C147 PolarHBondContact O-SG 3.26Å; N144-C147 WeakPolarHBondContact O-CB 3.41Å; N144-C147 PolarHBondContact O-N 3.26Å; F145-C147 VanDerWaalsContact C-N 3.32Å; F145-C147 PolarHBondContact O-N 3.36Å; C147-F150 WeakPolarHBondContact O-CB 3.23Å; C147-F150 PolarHBondContact O-N 2.97Å; C147-V151 WeakPolarHBondContact O-CG2 3.48Å; C147-V151 PolarHBondContact O-N 3.36Å; C147-I170 HydrophobicContact CB-CD1 4.06Å; C147-I170 HydrophobicContact CB-CG1 4.09Å; C147-V176 HydrophobicContact CB-CG1 4.21Å; C147-V176 PolarHBondContact SG-O 3.24Å; C147-V176 VanDerWaalsContact SG-O 3.37Å; C147-T177 VanDerWaalsContact SG-CA 3.55Å; C147-I178 PolarHBondContact SG-N 2.97Å; C147-I178 VanDerWaalsContact SG-N 3.42Å; C147-L181 HydrophobicContact CB-CD1 3.64Å; C147-L181 HydrophobicContact CB-CG 4.47Å
148L82.1Confident80.9Confident24 Ų2468.8 Ų68.813%0.12638%0.378CS..Hα-helixtrans-69.3-39.5177.4-74.6159.8000111.8Y101 L140 N144 F145 K146 F150 V151 C152 L167 I170Y101-L148 HydrophobicContact CD2-CB 4.1Å; Y101-L148 HydrophobicContact CD2-CD1 4.23Å; Y101-L148 HydrophobicContact CE1-CD1 4.47Å; Y101-L148 HydrophobicContact CE2-CB 3.6Å; Y101-L148 HydrophobicContact CE2-CD1 3.12Å; Y101-L148 HydrophobicContact CE2-CG 3.91Å; Y101-L148 WeakPolarHBondContact OH-CD1 3.27Å; L140-L148 HydrophobicContact CD1-CD1 4.45Å; N144-L148 WeakPolarHBondContact O-CB 3.47Å; N144-L148 WeakPolarHBondContact O-CD1 3.42Å; N144-L148 VanDerWaalsContact O-CG 3.31Å; N144-L148 WeakPolarHBondContact O-CG 3.35Å; N144-L148 PolarHBondContact O-N 3.12Å; F145-L148 PolarHBondContact O-N 3.24Å; K146-L148 VanDerWaalsContact C-N 3.31Å; K146-L148 PolarHBondContact O-N 2.77Å; L148-F150 VanDerWaalsContact C-N 3.29Å; L148-F150 PolarHBondContact O-N 2.67Å; L148-V151 PolarHBondContact O-N 3.08Å; L148-C152 PolarHBondContact O-N 3.18Å; L148-C152 PolarHBondContact O-SG 3.3Å; L148-L167 HydrophobicContact CD2-CD2 3.74Å; L148-I170 HydrophobicContact CD1-CG2 4.09Å; L148-I170 HydrophobicContact CD2-CD1 3.8Å; L148-I170 HydrophobicContact CD2-CG2 4.29Å; L148-I170 HydrophobicContact CG-CD1 4.01Å; L148-I170 HydrophobicContact CG-CG2 4.12Å
149I80.5Confident81.8Confident73 Ų7363.1 Ų63.137%0.37435%0.348SS..Hα-helixtrans-58.5-42.2170.5-69.6-60.8000111.9F97 F145 K146 C152 G153F97-I149 HydrophobicContact CE1-CD1 3.94Å; F97-I149 HydrophobicContact CE2-CD1 3.59Å; F97-I149 HydrophobicContact CE2-CG1 4.26Å; F97-I149 HydrophobicContact CZ-CD1 3.09Å; F97-I149 HydrophobicContact CZ-CG1 3.59Å; F145-I149 WeakPolarHBondContact O-CG1 3.49Å; F145-I149 PolarHBondContact O-N 3.45Å; K146-I149 PolarHBondContact O-N 3.27Å; I149-C152 PolarHBondContact O-N 2.86Å; I149-G153 PolarHBondContact O-N 3.45Å; I149-G153 VanDerWaalsContact O-N 3.14Å
150F85.6Confident82.3Confident55 Ų5560.4 Ų60.424%0.24134%0.336CS..Hα-helixtrans-60-47.6175.5176.7-92.3000111.9K146 C147 L148 C152 G153 L166 I178 L181 V182K146-F150 PolarHBondContact O-N 2.74Å; C147-F150 WeakPolarHBondContact O-CB 3.23Å; C147-F150 PolarHBondContact O-N 2.97Å; L148-F150 VanDerWaalsContact C-N 3.29Å; L148-F150 PolarHBondContact O-N 2.67Å; F150-C152 VanDerWaalsContact C-N 3.33Å; F150-C152 PolarHBondContact O-N 3.29Å; F150-G153 PolarHBondContact O-N 3.08Å; F150-G153 VanDerWaalsContact O-N 3.13Å; F150-L166 HydrophobicContact CE1-CD1 4.29Å; F150-I178 HydrophobicContact CB-CD1 4.31Å; F150-I178 HydrophobicContact CB-CG1 4.14Å; F150-I178 HydrophobicContact CD2-CG2 3.86Å; F150-I178 HydrophobicContact CE2-CG2 4.2Å; F150-I178 HydrophobicContact CG-CG2 4.3Å; F150-L181 HydrophobicContact CD1-CB 4Å; F150-L181 HydrophobicContact CD1-CD1 3.74Å; F150-L181 HydrophobicContact CE1-CB 3.91Å; F150-L181 HydrophobicContact CE1-CD1 4.44Å; F150-L181 HydrophobicContact CG-CD1 4.49Å; F150-V182 HydrophobicContact CE2-CG2 3.85Å; F150-V182 HydrophobicContact CZ-CG2 3.68Å
151V83.1Confident82.8Confident1 Ų162 Ų621%0.00636%0.355CS..Hα-helixtrans-63.2-38.2177.6176.50000111.9C147 L148 G153 L154 R163 L166 L167 I170 L181C147-V151 WeakPolarHBondContact O-CG2 3.48Å; C147-V151 PolarHBondContact O-N 3.36Å; L148-V151 PolarHBondContact O-N 3.08Å; V151-G153 PolarHBondContact O-N 3.41Å; V151-L154 WeakPolarHBondContact O-CB 3.46Å; V151-L154 PolarHBondContact O-N 2.94Å; V151-L154 VanDerWaalsContact O-N 3.1Å; V151-R163 HydrophobicContact CG1-CB 4.25Å; V151-R163 HydrophobicContact CG1-CG 4.16Å; V151-L166 HydrophobicContact CG2-CB 3.63Å; V151-L166 HydrophobicContact CG2-CD1 3.86Å; V151-L166 HydrophobicContact CG2-CG 4.43Å; V151-L167 HydrophobicContact CG1-CD2 4.14Å; V151-L167 HydrophobicContact CG1-CG 4.1Å; V151-I170 HydrophobicContact CG2-CD1 3.75Å; V151-L181 HydrophobicContact CG2-CD1 4.01Å
152C78.4Confident83.1Confident37 Ų3761.5 Ų61.525%0.2535%0.35CS..Hα-helixtrans-64-26.5175.6-69.40000113.3C100 L148 I149 F150 L154 Q155C100-C152 PolarHBondContact O-SG 3.4Å; L148-C152 PolarHBondContact O-N 3.18Å; L148-C152 PolarHBondContact O-SG 3.3Å; I149-C152 PolarHBondContact O-N 2.86Å; F150-C152 VanDerWaalsContact C-N 3.33Å; F150-C152 PolarHBondContact O-N 3.29Å; C152-L154 VanDerWaalsContact C-N 3.27Å; C152-L154 PolarHBondContact O-N 2.87Å; C152-Q155 WeakPolarHBondContact O-CG 3.5Å
153G78.9Confident83.2Confident54 Ų5455.9 Ų55.956%0.55732%0.323SS*.Hα-helixtrans-70.1-19.6173.500000114I149 F150 V151 Q155I149-G153 PolarHBondContact O-N 3.45Å; I149-G153 VanDerWaalsContact O-N 3.14Å; F150-G153 PolarHBondContact O-N 3.08Å; F150-G153 VanDerWaalsContact O-N 3.13Å; V151-G153 PolarHBondContact O-N 3.41Å; G153-Q155 VanDerWaalsContact C-N 3.27Å; G153-Q155 PolarHBondContact O-N 3.29Å
154L80.8Confident83Confident32 Ų3256.9 Ų56.917%0.16833%0.327CS..  trans-80.368.8179.1-57-176.6000111.2V151 C152 D159 V162 R163 L166V151-L154 WeakPolarHBondContact O-CB 3.46Å; V151-L154 PolarHBondContact O-N 2.94Å; V151-L154 VanDerWaalsContact O-N 3.1Å; C152-L154 VanDerWaalsContact C-N 3.27Å; C152-L154 PolarHBondContact O-N 2.87Å; L154-D159 HydrophobicContact CB-CB 4.08Å; L154-V162 HydrophobicContact CD1-CG1 4.11Å; L154-R163 HydrophobicContact CB-CG 3.98Å; L154-R163 VanDerWaalsContact O-CD 3.27Å; L154-R163 WeakPolarHBondContact O-CD 3.06Å; L154-R163 PolarHBondContact O-NH1 2.93Å; L154-L166 HydrophobicContact CD1-CD1 3.61Å
155Q81.7Confident83.3Confident167 Ų16761 Ų6178%0.7835%0.345SS*.  trans-81.5-13.7-172-64.8-178.4-16.700114.3C152 G153C152-Q155 WeakPolarHBondContact O-CG 3.5Å; G153-Q155 VanDerWaalsContact C-N 3.27Å; G153-Q155 PolarHBondContact O-N 3.29Å
156S80.8Confident83.7Confident45 Ų4557.4 Ų57.432%0.31533%0.329SS..  trans-60138.6-179.1-176.40000111.1D158 D159 R163S156-D158 PolarHBondContact O-N 3.12Å; S156-D158 PolarHBondContact OG-N 2.93Å; S156-D159 WeakPolarHBondContact CB-OD2 3.42Å; S156-D159 PolarHBondContact O-N 3.29Å; S156-D159 VanDerWaalsContact O-N 3.12Å; S156-R163 PolarHBondContact O-NH1 3.34Å
157P82.5Confident83.7Confident106 Ų10654.6 Ų54.669%0.68832%0.318SS*.G310 helixtrans-59-3017124.5-33.5000112.4D159 A160P157-D159 PolarHBondContact O-N 2.86Å; P157-A160 VanDerWaalsContact O-CB 3.25Å; P157-A160 WeakPolarHBondContact O-CB 3.25Å; P157-A160 PolarHBondContact O-N 3.24Å; P157-A160 VanDerWaalsContact O-N 3.11Å
158D85.2Confident83.5Confident133 Ų13358.6 Ų58.671%0.71134%0.339SS*.G310 helixtrans-65.1-24.5177.7-64.8-29.7000112.8S156 A160S156-D158 PolarHBondContact O-N 3.12Å; S156-D158 PolarHBondContact OG-N 2.93Å; D158-A160 VanDerWaalsContact C-N 3.3Å; D158-A160 PolarHBondContact O-N 3.13Å
159D83.3Confident83.7Confident50 Ų5059.3 Ų59.327%0.26734%0.341SS..G310 helixtrans-85.83.3178.1-63.3-39.6000112.7L154 S156 P157 A161 V162 R163L154-D159 HydrophobicContact CB-CB 4.08Å; S156-D159 WeakPolarHBondContact CB-OD2 3.42Å; S156-D159 PolarHBondContact O-N 3.29Å; S156-D159 VanDerWaalsContact O-N 3.12Å; P157-D159 PolarHBondContact O-N 2.86Å; D159-A161 VanDerWaalsContact C-N 3.3Å; D159-A161 PolarHBondContact O-N 3.14Å; D159-V162 HydrophobicContact CB-CB 4.48Å; D159-V162 CarbonylContact O-C 3.57Å; D159-V162 WeakPolarHBondContact O-CA 3.29Å; D159-V162 WeakPolarHBondContact O-CB 3.27Å; D159-V162 PolarHBondContact O-N 3.41Å; D159-R163 PolarHBondContact O-N 2.89Å
160A81.7Confident83.9Confident42 Ų4256.6 Ų56.635%0.34733%0.327SS..Hα-helixtrans-56.7-42.7-175.800000113.1P157 D158 L164P157-A160 VanDerWaalsContact O-CB 3.25Å; P157-A160 WeakPolarHBondContact O-CB 3.25Å; P157-A160 PolarHBondContact O-N 3.24Å; P157-A160 VanDerWaalsContact O-N 3.11Å; D158-A160 VanDerWaalsContact C-N 3.3Å; D158-A160 PolarHBondContact O-N 3.13Å; A160-L164 PolarHBondContact O-N 3.46Å
161A84.1Confident83.7Confident71 Ų7160.8 Ų60.859%0.58735%0.348SS*.Hα-helixtrans-69.4-35.9176.200000112.2D159 K165D159-A161 VanDerWaalsContact C-N 3.3Å; D159-A161 PolarHBondContact O-N 3.14Å; A161-K165 PolarHBondContact O-N 3.49Å
162V87.7Confident83.8Confident28 Ų2865.7 Ų65.717%0.1738%0.377CS..Hα-helixtrans-66-50.6176.9178.40000109.7L154 D159 L164 K165 L166 L188L154-V162 HydrophobicContact CD1-CG1 4.11Å; D159-V162 HydrophobicContact CB-CB 4.48Å; D159-V162 CarbonylContact O-C 3.57Å; D159-V162 WeakPolarHBondContact O-CA 3.29Å; D159-V162 WeakPolarHBondContact O-CB 3.27Å; D159-V162 PolarHBondContact O-N 3.41Å; V162-L164 VanDerWaalsContact C-N 3.28Å; V162-L164 PolarHBondContact O-N 3.26Å; V162-K165 PolarHBondContact O-N 3.42Å; V162-L166 HydrophobicContact CG1-CD1 3.89Å; V162-L166 HydrophobicContact CG1-CG 4.09Å; V162-L166 WeakPolarHBondContact O-CG 3.3Å; V162-L166 PolarHBondContact O-N 3.34Å; V162-L188 HydrophobicContact CG1-CD1 4.23Å; V162-L188 HydrophobicContact CG2-CD1 4.33Å
163R87.2Confident84.2Confident15 Ų1566.7 Ų66.76%0.05738%0.378CS..Hα-helixtrans-49.6-48.8175.5-74.4-164.2-63.2-82.30.4111.7Y108 V151 L154 S156 D159 K165 L166 L167Y108-R163 PolarHBondContact OH-NH2 3.14Å; V151-R163 HydrophobicContact CG1-CB 4.25Å; V151-R163 HydrophobicContact CG1-CG 4.16Å; L154-R163 HydrophobicContact CB-CG 3.98Å; L154-R163 VanDerWaalsContact O-CD 3.27Å; L154-R163 WeakPolarHBondContact O-CD 3.06Å; L154-R163 PolarHBondContact O-NH1 2.93Å; S156-R163 PolarHBondContact O-NH1 3.34Å; D159-R163 PolarHBondContact O-N 2.89Å; R163-K165 PolarHBondContact O-N 2.95Å; R163-L166 PolarHBondContact O-N 3.41Å; R163-L167 WeakPolarHBondContact O-CB 3.37Å; R163-L167 VanDerWaalsContact O-CG 3.26Å; R163-L167 WeakPolarHBondContact O-CG 3.16Å; R163-L167 PolarHBondContact O-N 2.95Å
164L83.6Confident84.3Confident91 Ų9168.1 Ų68.148%0.47638%0.378SS..Hα-helixtrans-60.5-44.2179.9-178.761.3000112.3A160 V162 N168A160-L164 PolarHBondContact O-N 3.46Å; V162-L164 VanDerWaalsContact C-N 3.28Å; V162-L164 PolarHBondContact O-N 3.26Å; L164-N168 PolarHBondContact O-N 2.95Å; L164-N168 VanDerWaalsContact O-N 3.14Å
165K88.2Confident84.6Confident102 Ų10272.4 Ų72.444%0.44340%0.401SS..Hα-helixtrans-65.3-42.4177.3-75.6-169.8175.1-169.70112.5A161 V162 R163 N168 K169 L188A161-K165 PolarHBondContact O-N 3.49Å; V162-K165 PolarHBondContact O-N 3.42Å; R163-K165 PolarHBondContact O-N 2.95Å; K165-N168 PolarHBondContact O-N 3.31Å; K165-K169 PolarHBondContact O-N 3.26Å; K165-L188 HydrophobicContact CB-CD1 4.16Å; K165-L188 HydrophobicContact CD-CD1 3.72Å; K165-L188 HydrophobicContact CD-CD2 3.43Å; K165-L188 VanDerWaalsContact CD-CD2 3.43Å; K165-L188 HydrophobicContact CD-CG 4.23Å
166L88Confident85Confident0 Ų064.5 Ų64.50%036%0.364CS..Hα-helixtrans-66.5-38.8178.8-59.9-180000111.9F150 V151 L154 V162 R163 K169 I170 L181 E184F150-L166 HydrophobicContact CE1-CD1 4.29Å; V151-L166 HydrophobicContact CG2-CB 3.63Å; V151-L166 HydrophobicContact CG2-CD1 3.86Å; V151-L166 HydrophobicContact CG2-CG 4.43Å; L154-L166 HydrophobicContact CD1-CD1 3.61Å; V162-L166 HydrophobicContact CG1-CD1 3.89Å; V162-L166 HydrophobicContact CG1-CG 4.09Å; V162-L166 WeakPolarHBondContact O-CG 3.3Å; V162-L166 PolarHBondContact O-N 3.34Å; R163-L166 PolarHBondContact O-N 3.41Å; L166-K169 WeakPolarHBondContact O-CB 3.47Å; L166-K169 PolarHBondContact O-N 3.06Å; L166-K169 VanDerWaalsContact O-N 3.15Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 VanDerWaalsContact O-CG1 3.31Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 3.14Å; L166-L181 HydrophobicContact CB-CD2 4.36Å; L166-L181 HydrophobicContact CD2-CB 4.31Å; L166-L181 HydrophobicContact CD2-CD2 3.99Å; L166-E184 HydrophobicContact CD2-CB 3.92Å; L166-E184 HydrophobicContact CD2-CG 3.88Å
167L85.6Confident85.7Confident21 Ų2164.6 Ų64.611%0.1136%0.363CS..Hα-helixtrans-60.9-45.8174.5-72.1169.7000111.5Y104 L148 V151 R163 K169 I170 E171Y104-L167 HydrophobicContact CD1-CD1 4.37Å; L148-L167 HydrophobicContact CD2-CD2 3.74Å; V151-L167 HydrophobicContact CG1-CD2 4.14Å; V151-L167 HydrophobicContact CG1-CG 4.1Å; R163-L167 WeakPolarHBondContact O-CB 3.37Å; R163-L167 VanDerWaalsContact O-CG 3.26Å; R163-L167 WeakPolarHBondContact O-CG 3.16Å; R163-L167 PolarHBondContact O-N 2.95Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.5Å; L167-I170 PolarHBondContact O-N 2.91Å; L167-E171 PolarHBondContact O-N 3.13Å
168N83.8Confident86.3Confident83 Ų8362.7 Ų62.744%0.44435%0.346SS..Hα-helixtrans-60.6-37174.1-72.3-12.9000111.9L164 K165 E171 T172L164-N168 PolarHBondContact O-N 2.95Å; L164-N168 VanDerWaalsContact O-N 3.14Å; K165-N168 PolarHBondContact O-N 3.31Å; N168-E171 PolarHBondContact O-N 3.41Å; N168-T172 WeakPolarHBondContact O-CB 3.38Å; N168-T172 WeakPolarHBondContact O-CG2 3.39Å; N168-T172 PolarHBondContact O-N 3.27Å; N168-T172 PolarHBondContact O-OG1 3.09Å
169K87.2Confident86.9Confident39 Ų3959.3 Ų59.317%0.1734%0.337CS..Hα-helixtrans-65.5-41.7176.4-163.1178.2-177.3750111.8K165 L166 L167 E171 T172 E173 L181 E184K165-K169 PolarHBondContact O-N 3.26Å; L166-K169 WeakPolarHBondContact O-CB 3.47Å; L166-K169 PolarHBondContact O-N 3.06Å; L166-K169 VanDerWaalsContact O-N 3.15Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.5Å; K169-E171 VanDerWaalsContact C-N 3.33Å; K169-T172 WeakPolarHBondContact CA-OG1 3.18Å; K169-T172 PolarHBondContact O-N 3.04Å; K169-T172 PolarHBondContact O-OG1 3.38Å; K169-E173 VanDerWaalsContact CE-OE1 3.25Å; K169-E173 WeakPolarHBondContact CE-OE1 3.39Å; K169-E173 HydrophobicContact CG-CG 4.44Å; K169-E173 WeakPolarHBondContact CG-OE1 3.32Å; K169-E173 IonicContact NZ-OE1 3.61Å; K169-E173 PolarHBondContact NZ-OE1 2.97Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 3.48Å; K169-L181 HydrophobicContact CD-CD2 4.16Å; K169-E184 HydrophobicContact CD-CB 4.28Å; K169-E184 HydrophobicContact CD-CG 4.14Å; K169-E184 IonicContact NZ-OE2 3.61Å; K169-E184 PolarHBondContact NZ-OE2 3.41Å
170I85Confident87.5Confident16 Ų1660.9 Ų60.98%0.08234%0.341CS..Hα-helixtrans-65.7-36.7176-63.8156.5000111.6C147 L148 V151 L166 L167 V176 L181C147-I170 HydrophobicContact CB-CD1 4.06Å; C147-I170 HydrophobicContact CB-CG1 4.09Å; L148-I170 HydrophobicContact CD1-CG2 4.09Å; L148-I170 HydrophobicContact CD2-CD1 3.8Å; L148-I170 HydrophobicContact CD2-CG2 4.29Å; L148-I170 HydrophobicContact CG-CD1 4.01Å; L148-I170 HydrophobicContact CG-CG2 4.12Å; V151-I170 HydrophobicContact CG2-CD1 3.75Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 VanDerWaalsContact O-CG1 3.31Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 3.14Å; L167-I170 PolarHBondContact O-N 2.91Å; I170-V176 HydrophobicContact CB-CG1 4.19Å; I170-V176 HydrophobicContact CG1-CG1 3.8Å; I170-V176 HydrophobicContact CG2-CG1 4.3Å; I170-L181 HydrophobicContact CD1-CD1 4.22Å; I170-L181 HydrophobicContact CG1-CD2 4.32Å
171E80.9Confident88.2Confident144 Ų14458.9 Ų58.967%0.67333%0.325SS*.Hα-helixtrans-69.5-34.1176.5-173.8172.9-166.900112.6L167 N168 K169L167-E171 PolarHBondContact O-N 3.13Å; N168-E171 PolarHBondContact O-N 3.41Å; K169-E171 VanDerWaalsContact C-N 3.33Å
172T85.3Confident88.8Confident103 Ų10358 Ų5863%0.63231%0.312SS*.Hα-helixtrans-92.1-28.5-175.751.50000114.1N168 K169N168-T172 WeakPolarHBondContact O-CB 3.38Å; N168-T172 WeakPolarHBondContact O-CG2 3.39Å; N168-T172 PolarHBondContact O-N 3.27Å; N168-T172 PolarHBondContact O-OG1 3.09Å; K169-T172 WeakPolarHBondContact CA-OG1 3.18Å; K169-T172 PolarHBondContact O-N 3.04Å; K169-T172 PolarHBondContact O-OG1 3.38Å
173E86.7Confident89.3Confident58 Ų5861.6 Ų61.627%0.27133%0.33SS..  trans-112.999.1-179-65.3-177-140.400111.1K169 N175 V176 K180K169-E173 VanDerWaalsContact CE-OE1 3.25Å; K169-E173 WeakPolarHBondContact CE-OE1 3.39Å; K169-E173 HydrophobicContact CG-CG 4.44Å; K169-E173 WeakPolarHBondContact CG-OE1 3.32Å; K169-E173 IonicContact NZ-OE1 3.61Å; K169-E173 PolarHBondContact NZ-OE1 2.97Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 3.48Å; E173-N175 PolarHBondContact O-N 3.29Å; E173-V176 HydrophobicContact CB-CB 4.17Å; E173-V176 WeakPolarHBondContact O-CG1 3.41Å; E173-V176 PolarHBondContact O-N 3.13Å; E173-K180 IonicContact OE2-NZ 2.81Å
174P80.1Confident89.7Confident85 Ų8563.1 Ų63.155%0.55234%0.338SS*.THydrogen-bonded Turntrans-67.1-13.6-176.126-35.4000114.9N144N144-P174 PolarHBondContact ND2-O 3.28Å; N144-P174 PolarHBondContact OD1-O 3.05Å; N144-P174 VanDerWaalsContact OD1-O 3.11Å
175N88.2Confident90.3Very high122 Ų12260 Ų6065%0.65232%0.323SS*.THydrogen-bonded Turntrans-117.640178.5-58.9-48.6000110.6E173 K180E173-N175 PolarHBondContact O-N 3.29Å; N175-K180 PolarHBondContact O-NZ 3.16Å; N175-K180 VanDerWaalsContact O-NZ 3.08Å
176V89.9Confident90.6Very high0 Ų057.5 Ų57.50%032%0.315CS..  trans-74.6141.5173.266.70000109.3N144 C147 I170 E173 K180 L181N144-V176 WeakPolarHBondContact OD1-CG1 3.39Å; C147-V176 HydrophobicContact CB-CG1 4.21Å; C147-V176 PolarHBondContact SG-O 3.24Å; C147-V176 VanDerWaalsContact SG-O 3.37Å; I170-V176 HydrophobicContact CB-CG1 4.19Å; I170-V176 HydrophobicContact CG1-CG1 3.8Å; I170-V176 HydrophobicContact CG2-CG1 4.3Å; E173-V176 HydrophobicContact CB-CB 4.17Å; E173-V176 WeakPolarHBondContact O-CG1 3.41Å; E173-V176 PolarHBondContact O-N 3.13Å; V176-K180 HydrophobicContact CG2-CB 4.2Å; V176-K180 HydrophobicContact CG2-CD 4.46Å; V176-L181 HydrophobicContact CG2-CD2 3.53Å; V176-L181 HydrophobicContact CG2-CG 4.05Å
177T95.6Very high91Very high47 Ų4762.8 Ų62.829%0.28834%0.339SS..  trans-120.9159.917863.90000109.2C147 A179 K180 L181C147-T177 VanDerWaalsContact SG-CA 3.55Å; T177-A179 PolarHBondContact O-N 3.34Å; T177-K180 WeakPolarHBondContact O-CB 3.38Å; T177-K180 PolarHBondContact O-N 3.05Å; T177-K180 PolarHBondContact OG1-N 2.89Å; T177-L181 PolarHBondContact O-N 3.44Å; T177-L181 VanDerWaalsContact O-N 3.1Å
178I95.4Very high91.5Very high67 Ų6762.6 Ų62.634%0.34434%0.339SS..Hα-helixtrans-54.6-39.2175.7-70178.3000110.7K146 C147 F150 K180 L181 V182K146-I178 HydrophobicContact CB-CD1 3.9Å; K146-I178 HydrophobicContact CB-CG1 4.28Å; C147-I178 PolarHBondContact SG-N 2.97Å; C147-I178 VanDerWaalsContact SG-N 3.42Å; F150-I178 HydrophobicContact CB-CD1 4.31Å; F150-I178 HydrophobicContact CB-CG1 4.14Å; F150-I178 HydrophobicContact CD2-CG2 3.86Å; F150-I178 HydrophobicContact CE2-CG2 4.2Å; F150-I178 HydrophobicContact CG-CG2 4.3Å; I178-K180 PolarHBondContact O-N 3.23Å; I178-L181 WeakPolarHBondContact O-CB 3.05Å; I178-L181 PolarHBondContact O-N 2.78Å; I178-L181 VanDerWaalsContact O-N 3.08Å; I178-V182 HydrophobicContact CG2-CG2 4.13Å; I178-V182 WeakPolarHBondContact O-CG2 3.33Å; I178-V182 PolarHBondContact O-N 3.25Å
179A97Very high91.9Very high61 Ų6164.5 Ų64.550%0.50434%0.339SS..Hα-helixtrans-56.3-47.9177.100000111.9T177 L181 V182 D183T177-A179 PolarHBondContact O-N 3.34Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 2.77Å; A179-V182 PolarHBondContact O-N 2.99Å; A179-D183 PolarHBondContact O-N 3Å
180K96.8Very high92.2Very high83 Ų8366.6 Ų66.636%0.36135%0.353SS..Hα-helixtrans-62.3-35.4175.7-70.4177.6173.7-179.10112.8E173 N175 V176 T177 I178 E184E173-K180 IonicContact OE2-NZ 2.81Å; N175-K180 PolarHBondContact O-NZ 3.16Å; N175-K180 VanDerWaalsContact O-NZ 3.08Å; V176-K180 HydrophobicContact CG2-CB 4.2Å; V176-K180 HydrophobicContact CG2-CD 4.46Å; T177-K180 WeakPolarHBondContact O-CB 3.38Å; T177-K180 PolarHBondContact O-N 3.05Å; T177-K180 PolarHBondContact OG1-N 2.89Å; I178-K180 PolarHBondContact O-N 3.23Å; K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 3.37Å
181L95.8Very high92.7Very high0 Ų069.7 Ų69.70%037%0.369CS..Hα-helixtrans-68.2-41.1175.3-62.7-169.2000111.6C147 F150 V151 L166 K169 I170 V176 T177 I178 A179 D183 E184 C185C147-L181 HydrophobicContact CB-CD1 3.64Å; C147-L181 HydrophobicContact CB-CG 4.47Å; F150-L181 HydrophobicContact CD1-CB 4Å; F150-L181 HydrophobicContact CD1-CD1 3.74Å; F150-L181 HydrophobicContact CE1-CB 3.91Å; F150-L181 HydrophobicContact CE1-CD1 4.44Å; F150-L181 HydrophobicContact CG-CD1 4.49Å; V151-L181 HydrophobicContact CG2-CD1 4.01Å; L166-L181 HydrophobicContact CB-CD2 4.36Å; L166-L181 HydrophobicContact CD2-CB 4.31Å; L166-L181 HydrophobicContact CD2-CD2 3.99Å; K169-L181 HydrophobicContact CD-CD2 4.16Å; I170-L181 HydrophobicContact CD1-CD1 4.22Å; I170-L181 HydrophobicContact CG1-CD2 4.32Å; V176-L181 HydrophobicContact CG2-CD2 3.53Å; V176-L181 HydrophobicContact CG2-CG 4.05Å; T177-L181 PolarHBondContact O-N 3.44Å; T177-L181 VanDerWaalsContact O-N 3.1Å; I178-L181 WeakPolarHBondContact O-CB 3.05Å; I178-L181 PolarHBondContact O-N 2.78Å; I178-L181 VanDerWaalsContact O-N 3.08Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 2.77Å; L181-D183 VanDerWaalsContact C-N 3.33Å; L181-E184 PolarHBondContact O-N 2.96Å; L181-C185 PolarHBondContact O-N 2.88Å; L181-C185 PolarHBondContact O-SG 3.36Å
182V97.1Very high93.2Very high52 Ų5268.8 Ų68.832%0.31536%0.363SS..Hα-helixtrans-62.1-42.6175.6170.80000110.6F150 I178 A179 C185 N186F150-V182 HydrophobicContact CE2-CG2 3.85Å; F150-V182 HydrophobicContact CZ-CG2 3.68Å; I178-V182 HydrophobicContact CG2-CG2 4.13Å; I178-V182 WeakPolarHBondContact O-CG2 3.33Å; I178-V182 PolarHBondContact O-N 3.25Å; A179-V182 PolarHBondContact O-N 2.99Å; V182-C185 WeakPolarHBondContact O-CB 3.23Å; V182-C185 PolarHBondContact O-N 2.77Å; V182-N186 VanDerWaalsContact O-CG 3.28Å; V182-N186 PolarHBondContact O-N 3.23Å; V182-N186 PolarHBondContact O-ND2 3.02Å; V182-N186 VanDerWaalsContact O-ND2 3.12Å
183D97.5Very high93.4Very high105 Ų10570.5 Ų70.556%0.56136%0.359SS*.Hα-helixtrans-60.8-44.6175.1-68.5-24.8000111.6A179 L181 N186 H187A179-D183 PolarHBondContact O-N 3Å; L181-D183 VanDerWaalsContact C-N 3.33Å; D183-N186 PolarHBondContact O-N 3.43Å; D183-H187 WeakPolarHBondContact O-CB 3.23Å; D183-H187 PolarHBondContact O-N 3.3Å
184E96.2Very high93.7Very high47 Ų4772 Ų7222%0.2237%0.368CS..Hα-helixtrans-62.3-44.1175.3-169.173-143.700111.4L166 K169 K180 L181 N186 H187 L188L166-E184 HydrophobicContact CD2-CB 3.92Å; L166-E184 HydrophobicContact CD2-CG 3.88Å; K169-E184 HydrophobicContact CD-CB 4.28Å; K169-E184 HydrophobicContact CD-CG 4.14Å; K169-E184 IonicContact NZ-OE2 3.61Å; K169-E184 PolarHBondContact NZ-OE2 3.41Å; K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 3.37Å; L181-E184 PolarHBondContact O-N 2.96Å; E184-N186 VanDerWaalsContact C-N 3.33Å; E184-N186 PolarHBondContact O-N 3.44Å; E184-H187 PolarHBondContact O-N 2.92Å; E184-L188 HydrophobicContact CG-CD1 4.26Å; E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 VanDerWaalsContact O-CG 3.23Å; E184-L188 WeakPolarHBondContact O-CG 3.25Å; E184-L188 PolarHBondContact O-N 3.44Å
185C95.5Very high94.3Very high25 Ų2571 Ų7117%0.16936%0.361CS..Hα-helixtrans-57.5-46.1174.6-72.20000111.9L181 V182 L188 R189L181-C185 PolarHBondContact O-N 2.88Å; L181-C185 PolarHBondContact O-SG 3.36Å; V182-C185 WeakPolarHBondContact O-CB 3.23Å; V182-C185 PolarHBondContact O-N 2.77Å; C185-L188 PolarHBondContact O-N 3.29Å; C185-R189 WeakPolarHBondContact O-CB 3.5Å; C185-R189 PolarHBondContact O-N 2.87Å
186N95.8Very high94.4Very high50 Ų5068.5 Ų68.527%0.26735%0.345SS..Hα-helixtrans-64.9-42178.4-71-37.9000111.3V182 D183 E184 R189 N190V182-N186 VanDerWaalsContact O-CG 3.28Å; V182-N186 PolarHBondContact O-N 3.23Å; V182-N186 PolarHBondContact O-ND2 3.02Å; V182-N186 VanDerWaalsContact O-ND2 3.12Å; D183-N186 PolarHBondContact O-N 3.43Å; E184-N186 VanDerWaalsContact C-N 3.33Å; E184-N186 PolarHBondContact O-N 3.44Å; N186-R189 PolarHBondContact O-N 3.09Å; N186-R189 PolarHBondContact OD1-NH1 3.17Å; N186-R189 PolarHBondContact OD1-NH2 2.89Å; N186-N190 PolarHBondContact O-N 3.3Å; N186-N190 PolarHBondContact O-ND2 2.65Å; N186-N190 PolarHBondContact O-OD1 3.41Å
187H96.5Very high94.4Very high110 Ų11073.9 Ų73.951%0.50937%0.372SS..Hα-helixtrans-60.1-46.8175.4178.563.3000111.7D183 E184 R189 N190 L191D183-H187 WeakPolarHBondContact O-CB 3.23Å; D183-H187 PolarHBondContact O-N 3.3Å; E184-H187 PolarHBondContact O-N 2.92Å; H187-R189 VanDerWaalsContact C-N 3.34Å; H187-R189 PolarHBondContact O-N 3.01Å; H187-N190 PolarHBondContact O-N 3.44Å; H187-L191 WeakPolarHBondContact O-CB 3.37Å; H187-L191 PolarHBondContact O-N 3.25Å
188L94.8Very high94Very high18 Ų1876.2 Ų76.29%0.09439%0.385CS..Hα-helixtrans-63.7-38.7177.6-68.6173.8000112.7V162 K165 E184 C185 K192V162-L188 HydrophobicContact CG1-CD1 4.23Å; V162-L188 HydrophobicContact CG2-CD1 4.33Å; K165-L188 HydrophobicContact CB-CD1 4.16Å; K165-L188 HydrophobicContact CD-CD1 3.72Å; K165-L188 HydrophobicContact CD-CD2 3.43Å; K165-L188 VanDerWaalsContact CD-CD2 3.43Å; K165-L188 HydrophobicContact CD-CG 4.23Å; E184-L188 HydrophobicContact CG-CD1 4.26Å; E184-L188 WeakPolarHBondContact O-CB 3.48Å; E184-L188 VanDerWaalsContact O-CG 3.23Å; E184-L188 WeakPolarHBondContact O-CG 3.25Å; E184-L188 PolarHBondContact O-N 3.44Å; C185-L188 PolarHBondContact O-N 3.29Å; L188-K192 PolarHBondContact O-N 3.34Å
189R93Very high93.5Very high123 Ų12379 Ų7946%0.46440%0.397SS..Hα-helixtrans-64.1-47.2175.6-176.4179.967.6-126.4-6.1111.3C185 N186 H187 L191 K192 Y193C185-R189 WeakPolarHBondContact O-CB 3.5Å; C185-R189 PolarHBondContact O-N 2.87Å; N186-R189 PolarHBondContact O-N 3.09Å; N186-R189 PolarHBondContact OD1-NH1 3.17Å; N186-R189 PolarHBondContact OD1-NH2 2.89Å; H187-R189 VanDerWaalsContact C-N 3.34Å; H187-R189 PolarHBondContact O-N 3.01Å; R189-L191 VanDerWaalsContact C-N 3.35Å; R189-L191 PolarHBondContact O-N 2.92Å; R189-K192 WeakPolarHBondContact O-CB 3.22Å; R189-K192 PolarHBondContact O-N 3.43Å; R189-Y193 HydrophobicContact CG-CD2 3.94Å; R189-Y193 HydrophobicContact CG-CE2 3.49Å; R189-Y193 VanDerWaalsContact CG-CE2 3.49Å; R189-Y193 WeakPolarHBondContact O-CD2 3.49Å; R189-Y193 PolarHBondContact O-N 3.03Å; R189-Y193 VanDerWaalsContact O-N 3.13Å
190N93.7Very high92.8Very high83 Ų8383.2 Ų83.244%0.44441%0.406SS..Hα-helixtrans-62.7-43.5178.3-66.4-10000111.1N186 H187 K192 Y193 D194N186-N190 PolarHBondContact O-N 3.3Å; N186-N190 PolarHBondContact O-ND2 2.65Å; N186-N190 PolarHBondContact O-OD1 3.41Å; H187-N190 PolarHBondContact O-N 3.44Å; N190-K192 VanDerWaalsContact C-N 3.27Å; N190-K192 PolarHBondContact O-N 3.05Å; N190-Y193 PolarHBondContact O-N 2.95Å; N190-Y193 VanDerWaalsContact O-N 3.14Å; N190-D194 PolarHBondContact O-N 2.78Å
191L93.8Very high92Very high81 Ų8183.6 Ų83.642%0.42442%0.42SS..Hα-helixtrans-59.9-37.9177-174.765000112.4H187 R189 T195H187-L191 WeakPolarHBondContact O-CB 3.37Å; H187-L191 PolarHBondContact O-N 3.25Å; R189-L191 VanDerWaalsContact C-N 3.35Å; R189-L191 PolarHBondContact O-N 2.92Å; L191-T195 WeakPolarHBondContact O-CB 3.11Å; L191-T195 PolarHBondContact O-N 3.12Å; L191-T195 PolarHBondContact O-OG1 3.12Å
192K91.5Very high90.6Very high125 Ų12587.2 Ų87.254%0.54345%0.45SS..Hα-helixtrans-62.9-48.5174.4179.9178.8174.3-176.10111.2L188 R189 N190 D194 T195 E196L188-K192 PolarHBondContact O-N 3.34Å; R189-K192 WeakPolarHBondContact O-CB 3.22Å; R189-K192 PolarHBondContact O-N 3.43Å; N190-K192 VanDerWaalsContact C-N 3.27Å; N190-K192 PolarHBondContact O-N 3.05Å; K192-D194 PolarHBondContact O-N 3.15Å; K192-T195 WeakPolarHBondContact O-CB 3.45Å; K192-T195 PolarHBondContact O-N 3.25Å; K192-E196 WeakPolarHBondContact CE-OE1 3.26Å; K192-E196 WeakPolarHBondContact O-CG 3.41Å; K192-E196 PolarHBondContact O-N 3.05Å
193Y91.2Very high88.6Confident139 Ų13987.5 Ų87.555%0.54546%0.463SS..Hα-helixtrans-60.3-43.9177-73.8-59000112.7R189 N190 T195 E196 M197R189-Y193 HydrophobicContact CG-CD2 3.94Å; R189-Y193 HydrophobicContact CG-CE2 3.49Å; R189-Y193 VanDerWaalsContact CG-CE2 3.49Å; R189-Y193 WeakPolarHBondContact O-CD2 3.49Å; R189-Y193 PolarHBondContact O-N 3.03Å; R189-Y193 VanDerWaalsContact O-N 3.13Å; N190-Y193 PolarHBondContact O-N 2.95Å; N190-Y193 VanDerWaalsContact O-N 3.14Å; Y193-T195 VanDerWaalsContact C-N 3.3Å; Y193-T195 PolarHBondContact O-N 3.19Å; Y193-E196 PolarHBondContact O-N 3.12Å; Y193-M197 PolarHBondContact O-N 2.81Å
194D92.2Very high86.5Confident88 Ų8887.1 Ų87.147%0.47147%0.468SS..Hα-helixtrans-62.5-39.7178.1-68.3-22.7000111.6N190 K192 M197 V198N190-D194 PolarHBondContact O-N 2.78Å; K192-D194 PolarHBondContact O-N 3.15Å; D194-M197 PolarHBondContact O-N 3.25Å; D194-V198 WeakPolarHBondContact O-CG2 3.48Å; D194-V198 PolarHBondContact O-N 2.97Å; D194-V198 VanDerWaalsContact O-N 3.09Å
195T91.7Very high84.4Confident65 Ų6591.6 Ų91.640%0.39949%0.494SS..Hα-helixtrans-63.3-44.4176.9-57.40000111.3L191 K192 Y193 V198 Q199L191-T195 WeakPolarHBondContact O-CB 3.11Å; L191-T195 PolarHBondContact O-N 3.12Å; L191-T195 PolarHBondContact O-OG1 3.12Å; K192-T195 WeakPolarHBondContact O-CB 3.45Å; K192-T195 PolarHBondContact O-N 3.25Å; Y193-T195 VanDerWaalsContact C-N 3.3Å; Y193-T195 PolarHBondContact O-N 3.19Å; T195-V198 PolarHBondContact O-N 3.3Å; T195-Q199 VanDerWaalsContact O-CG 3.29Å; T195-Q199 WeakPolarHBondContact O-CG 3.36Å; T195-Q199 PolarHBondContact O-N 3.48Å
196E91.5Very high81.9Confident70 Ų7095.2 Ų95.233%0.32752%0.517SS..Hα-helixtrans-64.8-39.9177.8-71171.9-173.700111.7K192 Y193 Q199 Q200K192-E196 WeakPolarHBondContact CE-OE1 3.26Å; K192-E196 WeakPolarHBondContact O-CG 3.41Å; K192-E196 PolarHBondContact O-N 3.05Å; Y193-E196 PolarHBondContact O-N 3.12Å; E196-Q199 PolarHBondContact O-N 3.37Å; E196-Q200 WeakPolarHBondContact O-CG 3.29Å; E196-Q200 PolarHBondContact O-N 3.25Å
197M89.1Confident79.4Confident112 Ų112100.8 Ų100.855%0.55255%0.546SS*.Hα-helixtrans-62.5-43177-177.6178.462.100112.4Y193 D194 S201Y193-M197 PolarHBondContact O-N 2.81Å; D194-M197 PolarHBondContact O-N 3.25Å; M197-S201 PolarHBondContact O-N 3.04Å; M197-S201 PolarHBondContact O-OG 2.91Å
198V87.5Confident76.8Confident96 Ų96102.4 Ų102.458%0.58255%0.554SS**Hα-helixtrans-67.2-40.4176.7173.50000111.2D194 T195 S201 A202D194-V198 WeakPolarHBondContact O-CG2 3.48Å; D194-V198 PolarHBondContact O-N 2.97Å; D194-V198 VanDerWaalsContact O-N 3.09Å; T195-V198 PolarHBondContact O-N 3.3Å; V198-S201 PolarHBondContact O-N 3.06Å; V198-A202 PolarHBondContact O-N 3.05Å; V198-A202 VanDerWaalsContact O-N 3.13Å
199Q85.4Confident74.5Confident126 Ų126108.4 Ų108.459%0.58959%0.591SS**Hα-helixtrans-64.6-41.3178.1-75.2174.9-6.200112.7T195 E196 S201 A202 G203T195-Q199 VanDerWaalsContact O-CG 3.29Å; T195-Q199 WeakPolarHBondContact O-CG 3.36Å; T195-Q199 PolarHBondContact O-N 3.48Å; E196-Q199 PolarHBondContact O-N 3.37Å; Q199-S201 PolarHBondContact O-N 2.89Å; Q199-A202 PolarHBondContact O-N 3.07Å; Q199-G203 PolarHBondContact O-N 3.09Å
200Q81.7Confident72.1Confident149 Ų149109.2 Ų109.270%0.69660%0.604SS**Hα-helixtrans-62.4-34.4175.3-72.217429.800112.1E196E196-Q200 WeakPolarHBondContact O-CG 3.29Å; E196-Q200 PolarHBondContact O-N 3.25Å
201S79.4Confident69.7Low92 Ų92113.3 Ų113.364%0.64362%0.618SS**Hα-helixtrans-75.1-23.7178.5-53.10000113.3M197 V198 Q199M197-S201 PolarHBondContact O-N 3.04Å; M197-S201 PolarHBondContact O-OG 2.91Å; V198-S201 PolarHBondContact O-N 3.06Å; Q199-S201 PolarHBondContact O-N 2.89Å
202A66.6Low67.1Low76 Ų76115.6 Ų115.663%0.62864%0.635SS**Hα-helixtrans-93.4-21.8178.400000113.7V198 Q199 S204V198-A202 PolarHBondContact O-N 3.05Å; V198-A202 VanDerWaalsContact O-N 3.13Å; Q199-A202 PolarHBondContact O-N 3.07Å; A202-S204 VanDerWaalsContact C-N 3.28Å; A202-S204 PolarHBondContact O-N 2.9Å
203G55.7Low64.7Low57 Ų57114.1 Ų114.159%0.58865%0.647SS**SBendtrans-77.8-3-175.500000115.8Q199Q199-G203 PolarHBondContact O-N 3.09Å
204S53.2Low62.2Low97 Ų97112 Ų11268%0.67866%0.658SS**SBendtrans-106.251.1174.459.20000112.2A202A202-S204 VanDerWaalsContact C-N 3.28Å; A202-S204 PolarHBondContact O-N 2.9Å
205D51.9Low59.7Low142 Ų142117.6 Ų117.676%0.75968%0.678SS**  trans-170.191.1141.2-136.9-20.2000112.9
206P43.8Very low57.1Low101 Ų101125.9 Ų125.966%0.65670%0.702SS**  trans-94.4112157.6-1230000111.1
207L42Very low54.3Low166 Ų166129 Ų12987%0.86972%0.721SS**  trans84.4100.9151.2-46.3168.9000118.3
208E42.2Very low52.2Low144 Ų144129.8 Ų129.867%0.67374%0.737SS**  -17271.8115-158.6-178.1174.800110.1K211E208-K211 IonicContact OE1-NZ 3.63Å; E208-K211 PolarHBondContact OE1-NZ 3.44Å
209V46.5Very low49.7Very low144 Ų144136.6 Ų136.687%0.87375%0.753SS**  trans-120.254.5161.6-161.60000109.3
210D43.3Very low47.8Very low140 Ų140135.3 Ų135.375%0.74976%0.758SS**  trans-129.467.3157.1-160.726.9000109.9
211K42.8Very low45.7Very low169 Ų169133.7 Ų133.774%0.73576%0.758SS**  trans-13760.2151.1-78.8-171.4-174122.50109.1E208 A213E208-K211 IonicContact OE1-NZ 3.63Å; E208-K211 PolarHBondContact OE1-NZ 3.44Å; K211-A213 PolarHBondContact O-N 2.7Å
212V40.3Very low43.6Very low129 Ų129138.1 Ų138.178%0.78277%0.766SS**  trans-70.6122.2149.31760000106.1
213A40.3Very low42.5Very low95 Ų95140.4 Ų140.479%0.78577%0.772SS**  trans95.276.5174.400000117.6K211K211-A213 PolarHBondContact O-N 2.7Å
214A38.9Very low41.9Very low95 Ų95144.6 Ų144.679%0.78578%0.776SS**  -163.4121.8123.300000112.3
215K39Very low41Very low204 Ų204146.2 Ų146.289%0.88779%0.787SS**  trans86.675.3148.1-133.7156.3-175.31730119.3
216R38Very low40.5Very low239 Ų239145.4 Ų145.490%0.90278%0.782SS**  27.4119.2113.8-125.2177175.5139.7-2.1117.4
217N33Very low40.1Very low137 Ų137151.2 Ų151.273%0.73379%0.791SS**  trans76.191.4138.5-164.661000119.1
218S44.1Very low39.7Very low128 Ų128148 Ų14890%0.89578%0.782SS**  trans-136.795.6141.2-75.70000109.7
219R36.5Very low39.9Very low239 Ų239147.1 Ų147.190%0.90279%0.789SS**  trans-73.7115.8163.8-172.1-176.9-153159.54.2107.3
220S44.5Very low39.7Very low99 Ų99147.7 Ų147.769%0.69278%0.782SS**  trans-155.3109.3159.3-160.70000112.4
221T37.9Very low40Very low115 Ų115151.3 Ų151.371%0.70679%0.791SS**  trans57.590140.754.60000119T223T221-T223 PolarHBondContact O-N 3.1Å
222F35.7Very low39.8Very low184 Ų184151.2 Ų151.281%0.80779%0.793SS**  trans-60.9103.8147.7178.4-102.4000109.6Q224F222-Q224 HydrophobicContact CD1-CB 4.26Å; F222-Q224 HydrophobicContact CE1-CB 3.85Å; F222-Q224 HydrophobicContact CE1-CG 4.37Å
223T42Very low39.9Very low124 Ų124151 Ų15176%0.76180%0.795SS**  trans-89.7102.4165.244.60000108.7T221T221-T223 PolarHBondContact O-N 3.1Å
224Q43.7Very low40.6Very low145 Ų145155 Ų15568%0.67883%0.828SS**  trans-63.1125.6169-177.8174.3-3000110.2F222 D226F222-Q224 HydrophobicContact CD1-CB 4.26Å; F222-Q224 HydrophobicContact CE1-CB 3.85Å; F222-Q224 HydrophobicContact CE1-CG 4.37Å; Q224-D226 PolarHBondContact O-N 2.85Å
225C34.4Very low40.7Very low132 Ų132158 Ų15889%0.89283%0.83SS**  trans-72.3114.3170.1-62.20000109.1
226D41.1Very low40.8Very low124 Ų124155.6 Ų155.666%0.66383%0.827SS**  trans-99.5137.9179.2-154.8-15.2000111.4Q224Q224-D226 PolarHBondContact O-N 2.85Å
227R35.6Very low41Very low223 Ų223150.9 Ų150.984%0.84282%0.822SS**  trans47.6112.3155-90.8165.6-166.7-144.6-0.5123.2
228S34.8Very low41.4Very low98 Ų98151.8 Ų151.869%0.68583%0.828SS**  12142.9116.3-146.90000119.1
229P46Very low41.3Very low126 Ų126153.3 Ų153.382%0.81882%0.823SS**  -139.1141.1104.135.2-21.6000116.2
230H41Very low41.6Very low157 Ų157147.5 Ų147.573%0.72782%0.818SS**  trans-24.7140155.4-86.4-78.9000118.1
231K49.5Very low41.4Very low216 Ų216151 Ų15194%0.93983%0.827SS**  trans-134.6119.9134.6-113.5-177.6-178.9-173.10110
232Q39Very low41.6Very low166 Ų166153.8 Ų153.878%0.77684%0.837SS**  trans-79.2161.7178.5-81176.8-63.900112.4
233P42.9Very low42.1Very low126 Ų126151.3 Ų151.382%0.81884%0.839SS**  trans-92.4152-179.436.4-32.1000113.4
234A55.5Low42.1Very low178 Ų178153.7 Ų153.7100%1.47185%0.846SS**  trans-144.50149.300000107.4

Retrieved 234 of 234 residues in 84.6 ms (Link to these results)